USER MOD reduce.3.24.130724 H: found=0, std=0, add=846, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 838 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 21 LYS NZ :NH3+ -167:sc= 1.59 (180deg=0.665) USER MOD Set 1.2: B 149 ASN : amide:sc= 1.27 K(o=2.9,f=-3.5) USER MOD Set 2.1: A 73 HIS : no HE2:sc= -0.287 K(o=1.4,f=-0.94!) USER MOD Set 2.2: A 77 CYS SG : rot -163:sc= 0.237 USER MOD Set 2.3: A 82 CYS SG : rot 151:sc= 0.587 USER MOD Set 2.4: A 85 CYS SG : rot 115:sc= 0.829 USER MOD Set 3.1: A 49 HIS : no HE2:sc= -0.378 K(o=1.5,f=0.13) USER MOD Set 3.2: A 53 CYS SG : rot -161:sc= 0.62 USER MOD Set 3.3: A 59 CYS SG : rot 135:sc= 0.432 USER MOD Set 3.4: A 64 CYS SG : rot 44:sc= 0.813 USER MOD Set 4.1: A 51 THR OG1 : rot 180:sc= 0 USER MOD Set 4.2: A 52 HIS : no HE2:sc= 1.16 K(o=1.2,f=-3.7!) USER MOD Set 5.1: A 18 HIS :FLIP no HD1:sc= 0.212 F(o=-1.7,f=2.5) USER MOD Set 5.2: A 22 CYS SG : rot 90:sc= 0.534 USER MOD Set 5.3: A 40 CYS SG : rot 113:sc=-0.00498 USER MOD Set 5.4: A 44 LYS NZ :NH3+ 170:sc= 1.72 (180deg=-0.0538) USER MOD Single : A 1 ALA N :NH3+ 132:sc= 0.0847 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 145:sc= 1.24 (180deg=0.826) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 GLN : amide:sc= 0.783 K(o=0.78,f=-4.5!) USER MOD Single : A 11 GLN : amide:sc= 0.194 X(o=0.19,f=0) USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=-0.096) USER MOD Single : A 20 HIS : no HD1:sc= 1.17 K(o=1.2,f=-3.5!) USER MOD Single : A 39 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 45 ASN : amide:sc= 1.01 K(o=1,f=0) USER MOD Single : A 48 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 MET CE :methyl -178:sc= -0.263 (180deg=-0.272) USER MOD Single : A 54 GLN : amide:sc= 0.893 K(o=0.89,f=0) USER MOD Single : A 57 LYS NZ :NH3+ -160:sc= 1.2 (180deg=0.956) USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 HIS : no HD1:sc= 0.303 K(o=0.3,f=-1.6) USER MOD Single : A 66 SER OG : rot 78:sc= 0.864 USER MOD Single : A 67 SER OG : rot -73:sc= 1.2 USER MOD Single : A 69 GLN : amide:sc= -0.905 K(o=-0.91,f=-1.4) USER MOD Single : A 72 SER OG : rot 76:sc= 2.06 USER MOD Single : A 75 LYS NZ :NH3+ 162:sc= 0.517 (180deg=0.289) USER MOD Single : A 76 ASN : amide:sc= 0.776 K(o=0.78,f=-0.12) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 HIS : no HE2:sc= 1.14 K(o=1.1,f=-3.8!) USER MOD Single : A 89 LYS NZ :NH3+ 169:sc= 1.04 (180deg=0.91) USER MOD Single : B 117 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 119 THR OG1 : rot 180:sc= 0 USER MOD Single : B 120 SER OG : rot 180:sc= 0 USER MOD Single : B 121 TYR OH : rot 180:sc= 0 USER MOD Single : B 123 CYS SG : rot 86:sc= 0.133 USER MOD Single : B 126 ASN : amide:sc= 1.92 K(o=1.9,f=-4.4!) USER MOD Single : B 130 GLN : amide:sc= 1.29 K(o=1.3,f=-3.8!) USER MOD Single : B 137 GLN : amide:sc= 0.127 X(o=0.13,f=-0.29) USER MOD Single : B 147 GLN : amide:sc= 0.816 K(o=0.82,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 6.316 -12.234 15.864 1.00 0.00 N ATOM 2 CA ALA A 1 5.541 -10.994 15.614 1.00 0.00 C ATOM 3 C ALA A 1 5.654 -10.034 16.807 1.00 0.00 C ATOM 4 O ALA A 1 5.943 -10.462 17.927 1.00 0.00 O ATOM 5 CB ALA A 1 4.079 -11.317 15.259 1.00 0.00 C ATOM 0 H1 ALA A 1 5.729 -13.062 15.638 1.00 0.00 H new ATOM 0 H2 ALA A 1 7.166 -12.239 15.265 1.00 0.00 H new ATOM 0 H3 ALA A 1 6.597 -12.272 16.864 1.00 0.00 H new ATOM 0 HA ALA A 1 5.969 -10.486 14.750 1.00 0.00 H new ATOM 0 HB1 ALA A 1 3.534 -10.390 15.081 1.00 0.00 H new ATOM 0 HB2 ALA A 1 4.050 -11.933 14.360 1.00 0.00 H new ATOM 0 HB3 ALA A 1 3.615 -11.857 16.084 1.00 0.00 H new ATOM 13 N ASP A 2 5.455 -8.733 16.582 1.00 0.00 N ATOM 14 CA ASP A 2 5.579 -7.664 17.586 1.00 0.00 C ATOM 15 C ASP A 2 4.589 -6.503 17.311 1.00 0.00 C ATOM 16 O ASP A 2 4.394 -6.134 16.147 1.00 0.00 O ATOM 17 CB ASP A 2 7.035 -7.167 17.550 1.00 0.00 C ATOM 18 CG ASP A 2 7.342 -6.149 18.656 1.00 0.00 C ATOM 19 OD1 ASP A 2 6.996 -4.959 18.481 1.00 0.00 O ATOM 20 OD2 ASP A 2 7.921 -6.542 19.697 1.00 0.00 O ATOM 0 H ASP A 2 5.193 -8.378 15.662 1.00 0.00 H new ATOM 0 HA ASP A 2 5.329 -8.051 18.574 1.00 0.00 H new ATOM 0 HB2 ASP A 2 7.708 -8.019 17.649 1.00 0.00 H new ATOM 0 HB3 ASP A 2 7.236 -6.714 16.579 1.00 0.00 H new ATOM 25 N PRO A 3 3.957 -5.901 18.341 1.00 0.00 N ATOM 26 CA PRO A 3 3.003 -4.804 18.161 1.00 0.00 C ATOM 27 C PRO A 3 3.587 -3.579 17.440 1.00 0.00 C ATOM 28 O PRO A 3 2.897 -2.985 16.616 1.00 0.00 O ATOM 29 CB PRO A 3 2.468 -4.465 19.557 1.00 0.00 C ATOM 30 CG PRO A 3 3.545 -4.994 20.499 1.00 0.00 C ATOM 31 CD PRO A 3 4.077 -6.218 19.759 1.00 0.00 C ATOM 0 HA PRO A 3 2.199 -5.121 17.496 1.00 0.00 H new ATOM 0 HB2 PRO A 3 2.322 -3.392 19.679 1.00 0.00 H new ATOM 0 HB3 PRO A 3 1.505 -4.941 19.743 1.00 0.00 H new ATOM 0 HG2 PRO A 3 4.328 -4.255 20.672 1.00 0.00 H new ATOM 0 HG3 PRO A 3 3.135 -5.258 21.474 1.00 0.00 H new ATOM 0 HD2 PRO A 3 5.114 -6.420 20.029 1.00 0.00 H new ATOM 0 HD3 PRO A 3 3.502 -7.109 20.012 1.00 0.00 H new ATOM 39 N GLU A 4 4.842 -3.190 17.688 1.00 0.00 N ATOM 40 CA GLU A 4 5.462 -2.046 17.001 1.00 0.00 C ATOM 41 C GLU A 4 5.622 -2.306 15.496 1.00 0.00 C ATOM 42 O GLU A 4 5.321 -1.426 14.689 1.00 0.00 O ATOM 43 CB GLU A 4 6.792 -1.627 17.636 1.00 0.00 C ATOM 44 CG GLU A 4 6.643 -1.233 19.113 1.00 0.00 C ATOM 45 CD GLU A 4 7.968 -0.675 19.671 1.00 0.00 C ATOM 46 OE1 GLU A 4 8.262 0.526 19.453 1.00 0.00 O ATOM 47 OE2 GLU A 4 8.720 -1.421 20.345 1.00 0.00 O ATOM 0 H GLU A 4 5.453 -3.651 18.362 1.00 0.00 H new ATOM 0 HA GLU A 4 4.776 -1.208 17.124 1.00 0.00 H new ATOM 0 HB2 GLU A 4 7.505 -2.448 17.553 1.00 0.00 H new ATOM 0 HB3 GLU A 4 7.207 -0.787 17.080 1.00 0.00 H new ATOM 0 HG2 GLU A 4 5.857 -0.485 19.216 1.00 0.00 H new ATOM 0 HG3 GLU A 4 6.336 -2.101 19.696 1.00 0.00 H new ATOM 54 N LYS A 5 6.017 -3.522 15.091 1.00 0.00 N ATOM 55 CA LYS A 5 6.053 -3.913 13.667 1.00 0.00 C ATOM 56 C LYS A 5 4.653 -3.772 13.058 1.00 0.00 C ATOM 57 O LYS A 5 4.535 -3.271 11.941 1.00 0.00 O ATOM 58 CB LYS A 5 6.602 -5.340 13.471 1.00 0.00 C ATOM 59 CG LYS A 5 8.127 -5.451 13.311 1.00 0.00 C ATOM 60 CD LYS A 5 8.937 -4.869 14.479 1.00 0.00 C ATOM 61 CE LYS A 5 10.381 -5.394 14.508 1.00 0.00 C ATOM 62 NZ LYS A 5 11.154 -5.034 13.292 1.00 0.00 N ATOM 0 H LYS A 5 6.318 -4.258 15.730 1.00 0.00 H new ATOM 0 HA LYS A 5 6.738 -3.242 13.149 1.00 0.00 H new ATOM 0 HB2 LYS A 5 6.300 -5.946 14.325 1.00 0.00 H new ATOM 0 HB3 LYS A 5 6.130 -5.773 12.589 1.00 0.00 H new ATOM 0 HG2 LYS A 5 8.391 -6.502 13.191 1.00 0.00 H new ATOM 0 HG3 LYS A 5 8.421 -4.942 12.393 1.00 0.00 H new ATOM 0 HD2 LYS A 5 8.950 -3.782 14.403 1.00 0.00 H new ATOM 0 HD3 LYS A 5 8.444 -5.117 15.419 1.00 0.00 H new ATOM 0 HE2 LYS A 5 10.889 -4.995 15.386 1.00 0.00 H new ATOM 0 HE3 LYS A 5 10.365 -6.479 14.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 12.145 -4.855 13.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 11.111 -5.817 12.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 10.748 -4.178 12.863 1.00 0.00 H new ATOM 76 N ARG A 6 3.589 -4.140 13.790 1.00 0.00 N ATOM 77 CA ARG A 6 2.193 -3.959 13.347 1.00 0.00 C ATOM 78 C ARG A 6 1.908 -2.476 13.079 1.00 0.00 C ATOM 79 O ARG A 6 1.438 -2.156 11.990 1.00 0.00 O ATOM 80 CB ARG A 6 1.194 -4.575 14.342 1.00 0.00 C ATOM 81 CG ARG A 6 -0.151 -4.879 13.657 1.00 0.00 C ATOM 82 CD ARG A 6 -1.281 -5.063 14.676 1.00 0.00 C ATOM 83 NE ARG A 6 -1.662 -3.767 15.266 1.00 0.00 N ATOM 84 CZ ARG A 6 -2.330 -3.531 16.378 1.00 0.00 C ATOM 85 NH1 ARG A 6 -2.791 -4.486 17.133 1.00 0.00 N ATOM 86 NH2 ARG A 6 -2.545 -2.303 16.747 1.00 0.00 N ATOM 0 H ARG A 6 3.671 -4.573 14.710 1.00 0.00 H new ATOM 0 HA ARG A 6 2.058 -4.498 12.409 1.00 0.00 H new ATOM 0 HB2 ARG A 6 1.609 -5.492 14.759 1.00 0.00 H new ATOM 0 HB3 ARG A 6 1.035 -3.890 15.175 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -0.404 -4.066 12.977 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -0.056 -5.782 13.053 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -2.145 -5.516 14.191 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -0.962 -5.747 15.462 1.00 0.00 H new ATOM 0 HE ARG A 6 -1.369 -2.941 14.743 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -2.640 -5.460 16.872 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -3.303 -4.260 17.986 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -2.198 -1.531 16.178 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -3.061 -2.111 17.606 1.00 0.00 H new ATOM 100 N LYS A 7 2.236 -1.571 14.017 1.00 0.00 N ATOM 101 CA LYS A 7 2.102 -0.103 13.858 1.00 0.00 C ATOM 102 C LYS A 7 2.772 0.378 12.566 1.00 0.00 C ATOM 103 O LYS A 7 2.148 1.068 11.762 1.00 0.00 O ATOM 104 CB LYS A 7 2.712 0.671 15.039 1.00 0.00 C ATOM 105 CG LYS A 7 2.080 0.400 16.411 1.00 0.00 C ATOM 106 CD LYS A 7 2.852 1.113 17.532 1.00 0.00 C ATOM 107 CE LYS A 7 2.704 2.638 17.444 1.00 0.00 C ATOM 108 NZ LYS A 7 3.682 3.350 18.303 1.00 0.00 N ATOM 0 H LYS A 7 2.610 -1.840 14.927 1.00 0.00 H new ATOM 0 HA LYS A 7 1.031 0.098 13.821 1.00 0.00 H new ATOM 0 HB2 LYS A 7 3.774 0.433 15.096 1.00 0.00 H new ATOM 0 HB3 LYS A 7 2.635 1.738 14.829 1.00 0.00 H new ATOM 0 HG2 LYS A 7 1.043 0.737 16.409 1.00 0.00 H new ATOM 0 HG3 LYS A 7 2.066 -0.673 16.602 1.00 0.00 H new ATOM 0 HD2 LYS A 7 2.489 0.768 18.500 1.00 0.00 H new ATOM 0 HD3 LYS A 7 3.907 0.846 17.474 1.00 0.00 H new ATOM 0 HE2 LYS A 7 2.835 2.954 16.409 1.00 0.00 H new ATOM 0 HE3 LYS A 7 1.693 2.920 17.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 3.543 4.376 18.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 3.541 3.070 19.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 4.648 3.103 18.007 1.00 0.00 H new ATOM 122 N LEU A 8 4.040 0.006 12.368 1.00 0.00 N ATOM 123 CA LEU A 8 4.848 0.334 11.188 1.00 0.00 C ATOM 124 C LEU A 8 4.177 -0.136 9.882 1.00 0.00 C ATOM 125 O LEU A 8 4.051 0.640 8.933 1.00 0.00 O ATOM 126 CB LEU A 8 6.256 -0.260 11.352 1.00 0.00 C ATOM 127 CG LEU A 8 7.113 0.361 12.470 1.00 0.00 C ATOM 128 CD1 LEU A 8 8.400 -0.447 12.633 1.00 0.00 C ATOM 129 CD2 LEU A 8 7.487 1.814 12.168 1.00 0.00 C ATOM 0 H LEU A 8 4.552 -0.553 13.051 1.00 0.00 H new ATOM 0 HA LEU A 8 4.931 1.418 11.112 1.00 0.00 H new ATOM 0 HB2 LEU A 8 6.160 -1.329 11.543 1.00 0.00 H new ATOM 0 HB3 LEU A 8 6.789 -0.152 10.407 1.00 0.00 H new ATOM 0 HG LEU A 8 6.520 0.342 13.384 1.00 0.00 H new ATOM 0 HD11 LEU A 8 9.007 -0.008 13.424 1.00 0.00 H new ATOM 0 HD12 LEU A 8 8.153 -1.476 12.894 1.00 0.00 H new ATOM 0 HD13 LEU A 8 8.959 -0.434 11.697 1.00 0.00 H new ATOM 0 HD21 LEU A 8 8.091 2.211 12.984 1.00 0.00 H new ATOM 0 HD22 LEU A 8 8.057 1.858 11.240 1.00 0.00 H new ATOM 0 HD23 LEU A 8 6.580 2.409 12.065 1.00 0.00 H new ATOM 141 N ILE A 9 3.720 -1.391 9.842 1.00 0.00 N ATOM 142 CA ILE A 9 2.983 -1.981 8.713 1.00 0.00 C ATOM 143 C ILE A 9 1.699 -1.174 8.448 1.00 0.00 C ATOM 144 O ILE A 9 1.490 -0.730 7.320 1.00 0.00 O ATOM 145 CB ILE A 9 2.725 -3.487 8.965 1.00 0.00 C ATOM 146 CG1 ILE A 9 4.061 -4.266 8.895 1.00 0.00 C ATOM 147 CG2 ILE A 9 1.735 -4.081 7.948 1.00 0.00 C ATOM 148 CD1 ILE A 9 3.995 -5.657 9.535 1.00 0.00 C ATOM 0 H ILE A 9 3.854 -2.045 10.613 1.00 0.00 H new ATOM 0 HA ILE A 9 3.582 -1.924 7.804 1.00 0.00 H new ATOM 0 HB ILE A 9 2.284 -3.582 9.957 1.00 0.00 H new ATOM 0 HG12 ILE A 9 4.357 -4.369 7.851 1.00 0.00 H new ATOM 0 HG13 ILE A 9 4.838 -3.684 9.391 1.00 0.00 H new ATOM 0 HG21 ILE A 9 1.584 -5.139 8.163 1.00 0.00 H new ATOM 0 HG22 ILE A 9 0.782 -3.557 8.019 1.00 0.00 H new ATOM 0 HG23 ILE A 9 2.137 -3.969 6.941 1.00 0.00 H new ATOM 0 HD11 ILE A 9 4.966 -6.144 9.449 1.00 0.00 H new ATOM 0 HD12 ILE A 9 3.730 -5.561 10.588 1.00 0.00 H new ATOM 0 HD13 ILE A 9 3.242 -6.257 9.024 1.00 0.00 H new ATOM 160 N GLN A 10 0.861 -0.949 9.470 1.00 0.00 N ATOM 161 CA GLN A 10 -0.389 -0.172 9.412 1.00 0.00 C ATOM 162 C GLN A 10 -0.201 1.189 8.719 1.00 0.00 C ATOM 163 O GLN A 10 -0.878 1.460 7.723 1.00 0.00 O ATOM 164 CB GLN A 10 -0.985 0.018 10.821 1.00 0.00 C ATOM 165 CG GLN A 10 -1.667 -1.239 11.371 1.00 0.00 C ATOM 166 CD GLN A 10 -2.139 -1.055 12.811 1.00 0.00 C ATOM 167 OE1 GLN A 10 -1.436 -1.333 13.775 1.00 0.00 O ATOM 168 NE2 GLN A 10 -3.355 -0.594 13.026 1.00 0.00 N ATOM 0 H GLN A 10 1.043 -1.320 10.403 1.00 0.00 H new ATOM 0 HA GLN A 10 -1.090 -0.748 8.808 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -0.192 0.320 11.505 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -1.709 0.832 10.794 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -2.519 -1.493 10.741 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -0.973 -2.078 11.322 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -3.957 -0.356 12.238 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -3.694 -0.475 13.981 1.00 0.00 H new ATOM 177 N GLN A 11 0.703 2.042 9.219 1.00 0.00 N ATOM 178 CA GLN A 11 0.970 3.354 8.614 1.00 0.00 C ATOM 179 C GLN A 11 1.404 3.232 7.138 1.00 0.00 C ATOM 180 O GLN A 11 0.816 3.892 6.281 1.00 0.00 O ATOM 181 CB GLN A 11 1.924 4.214 9.471 1.00 0.00 C ATOM 182 CG GLN A 11 3.318 3.614 9.703 1.00 0.00 C ATOM 183 CD GLN A 11 4.247 4.522 10.498 1.00 0.00 C ATOM 184 OE1 GLN A 11 3.950 4.966 11.600 1.00 0.00 O ATOM 185 NE2 GLN A 11 5.418 4.801 9.965 1.00 0.00 N ATOM 0 H GLN A 11 1.265 1.845 10.047 1.00 0.00 H new ATOM 0 HA GLN A 11 0.027 3.900 8.600 1.00 0.00 H new ATOM 0 HB2 GLN A 11 2.040 5.186 8.992 1.00 0.00 H new ATOM 0 HB3 GLN A 11 1.456 4.390 10.440 1.00 0.00 H new ATOM 0 HG2 GLN A 11 3.213 2.665 10.229 1.00 0.00 H new ATOM 0 HG3 GLN A 11 3.775 3.395 8.738 1.00 0.00 H new ATOM 0 HE21 GLN A 11 5.662 4.429 9.047 1.00 0.00 H new ATOM 0 HE22 GLN A 11 6.081 5.389 10.470 1.00 0.00 H new ATOM 194 N GLN A 12 2.385 2.378 6.810 1.00 0.00 N ATOM 195 CA GLN A 12 2.840 2.173 5.426 1.00 0.00 C ATOM 196 C GLN A 12 1.717 1.710 4.484 1.00 0.00 C ATOM 197 O GLN A 12 1.663 2.172 3.346 1.00 0.00 O ATOM 198 CB GLN A 12 4.035 1.214 5.352 1.00 0.00 C ATOM 199 CG GLN A 12 5.350 1.907 5.743 1.00 0.00 C ATOM 200 CD GLN A 12 6.565 1.106 5.284 1.00 0.00 C ATOM 201 OE1 GLN A 12 7.284 0.505 6.066 1.00 0.00 O ATOM 202 NE2 GLN A 12 6.854 1.074 3.999 1.00 0.00 N ATOM 0 H GLN A 12 2.885 1.811 7.495 1.00 0.00 H new ATOM 0 HA GLN A 12 3.165 3.153 5.078 1.00 0.00 H new ATOM 0 HB2 GLN A 12 3.861 0.365 6.013 1.00 0.00 H new ATOM 0 HB3 GLN A 12 4.120 0.817 4.340 1.00 0.00 H new ATOM 0 HG2 GLN A 12 5.382 2.903 5.302 1.00 0.00 H new ATOM 0 HG3 GLN A 12 5.386 2.036 6.825 1.00 0.00 H new ATOM 0 HE21 GLN A 12 6.264 1.570 3.331 1.00 0.00 H new ATOM 0 HE22 GLN A 12 7.668 0.553 3.672 1.00 0.00 H new ATOM 211 N LEU A 13 0.821 0.827 4.935 1.00 0.00 N ATOM 212 CA LEU A 13 -0.329 0.329 4.184 1.00 0.00 C ATOM 213 C LEU A 13 -1.193 1.527 3.730 1.00 0.00 C ATOM 214 O LEU A 13 -1.450 1.686 2.538 1.00 0.00 O ATOM 215 CB LEU A 13 -1.053 -0.731 5.048 1.00 0.00 C ATOM 216 CG LEU A 13 -1.755 -1.841 4.247 1.00 0.00 C ATOM 217 CD1 LEU A 13 -1.960 -3.086 5.114 1.00 0.00 C ATOM 218 CD2 LEU A 13 -3.118 -1.438 3.704 1.00 0.00 C ATOM 0 H LEU A 13 0.882 0.425 5.871 1.00 0.00 H new ATOM 0 HA LEU A 13 -0.045 -0.181 3.263 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -0.328 -1.190 5.720 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -1.792 -0.229 5.672 1.00 0.00 H new ATOM 0 HG LEU A 13 -1.093 -2.041 3.404 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -2.458 -3.859 4.529 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -0.993 -3.455 5.455 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -2.575 -2.831 5.977 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -3.550 -2.272 3.151 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -3.775 -1.172 4.532 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -3.006 -0.581 3.039 1.00 0.00 H new ATOM 230 N VAL A 14 -1.567 2.425 4.653 1.00 0.00 N ATOM 231 CA VAL A 14 -2.316 3.664 4.358 1.00 0.00 C ATOM 232 C VAL A 14 -1.542 4.565 3.383 1.00 0.00 C ATOM 233 O VAL A 14 -2.099 4.987 2.367 1.00 0.00 O ATOM 234 CB VAL A 14 -2.679 4.425 5.651 1.00 0.00 C ATOM 235 CG1 VAL A 14 -3.398 5.752 5.367 1.00 0.00 C ATOM 236 CG2 VAL A 14 -3.603 3.582 6.541 1.00 0.00 C ATOM 0 H VAL A 14 -1.356 2.312 5.644 1.00 0.00 H new ATOM 0 HA VAL A 14 -3.249 3.374 3.874 1.00 0.00 H new ATOM 0 HB VAL A 14 -1.733 4.627 6.153 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -3.631 6.248 6.309 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -2.752 6.395 4.768 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -4.321 5.556 4.822 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -3.845 4.140 7.446 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -4.521 3.354 5.999 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -3.100 2.653 6.811 1.00 0.00 H new ATOM 246 N LEU A 15 -0.267 4.866 3.670 1.00 0.00 N ATOM 247 CA LEU A 15 0.587 5.711 2.823 1.00 0.00 C ATOM 248 C LEU A 15 0.709 5.194 1.379 1.00 0.00 C ATOM 249 O LEU A 15 0.604 5.978 0.439 1.00 0.00 O ATOM 250 CB LEU A 15 1.995 5.862 3.418 1.00 0.00 C ATOM 251 CG LEU A 15 2.128 6.598 4.757 1.00 0.00 C ATOM 252 CD1 LEU A 15 3.613 6.611 5.122 1.00 0.00 C ATOM 253 CD2 LEU A 15 1.621 8.035 4.684 1.00 0.00 C ATOM 0 H LEU A 15 0.206 4.525 4.507 1.00 0.00 H new ATOM 0 HA LEU A 15 0.091 6.681 2.793 1.00 0.00 H new ATOM 0 HB2 LEU A 15 2.416 4.864 3.541 1.00 0.00 H new ATOM 0 HB3 LEU A 15 2.614 6.382 2.687 1.00 0.00 H new ATOM 0 HG LEU A 15 1.524 6.083 5.504 1.00 0.00 H new ATOM 0 HD11 LEU A 15 3.750 7.128 6.072 1.00 0.00 H new ATOM 0 HD12 LEU A 15 3.975 5.587 5.211 1.00 0.00 H new ATOM 0 HD13 LEU A 15 4.174 7.128 4.344 1.00 0.00 H new ATOM 0 HD21 LEU A 15 1.737 8.512 5.657 1.00 0.00 H new ATOM 0 HD22 LEU A 15 2.195 8.586 3.939 1.00 0.00 H new ATOM 0 HD23 LEU A 15 0.568 8.035 4.403 1.00 0.00 H new ATOM 265 N LEU A 16 0.953 3.896 1.181 1.00 0.00 N ATOM 266 CA LEU A 16 1.093 3.281 -0.143 1.00 0.00 C ATOM 267 C LEU A 16 -0.196 3.404 -0.970 1.00 0.00 C ATOM 268 O LEU A 16 -0.149 3.787 -2.140 1.00 0.00 O ATOM 269 CB LEU A 16 1.545 1.825 0.019 1.00 0.00 C ATOM 270 CG LEU A 16 1.822 1.133 -1.327 1.00 0.00 C ATOM 271 CD1 LEU A 16 2.962 1.794 -2.099 1.00 0.00 C ATOM 272 CD2 LEU A 16 2.240 -0.303 -1.058 1.00 0.00 C ATOM 0 H LEU A 16 1.061 3.232 1.948 1.00 0.00 H new ATOM 0 HA LEU A 16 1.857 3.819 -0.705 1.00 0.00 H new ATOM 0 HB2 LEU A 16 2.447 1.795 0.630 1.00 0.00 H new ATOM 0 HB3 LEU A 16 0.777 1.269 0.557 1.00 0.00 H new ATOM 0 HG LEU A 16 0.910 1.201 -1.919 1.00 0.00 H new ATOM 0 HD11 LEU A 16 3.117 1.268 -3.041 1.00 0.00 H new ATOM 0 HD12 LEU A 16 2.709 2.834 -2.302 1.00 0.00 H new ATOM 0 HD13 LEU A 16 3.875 1.752 -1.506 1.00 0.00 H new ATOM 0 HD21 LEU A 16 2.440 -0.807 -2.004 1.00 0.00 H new ATOM 0 HD22 LEU A 16 3.141 -0.311 -0.445 1.00 0.00 H new ATOM 0 HD23 LEU A 16 1.439 -0.823 -0.532 1.00 0.00 H new ATOM 284 N LEU A 17 -1.349 3.111 -0.360 1.00 0.00 N ATOM 285 CA LEU A 17 -2.663 3.296 -0.984 1.00 0.00 C ATOM 286 C LEU A 17 -2.849 4.768 -1.404 1.00 0.00 C ATOM 287 O LEU A 17 -3.215 5.039 -2.552 1.00 0.00 O ATOM 288 CB LEU A 17 -3.772 2.803 -0.038 1.00 0.00 C ATOM 289 CG LEU A 17 -4.158 1.320 -0.212 1.00 0.00 C ATOM 290 CD1 LEU A 17 -3.046 0.290 -0.012 1.00 0.00 C ATOM 291 CD2 LEU A 17 -5.250 0.996 0.803 1.00 0.00 C ATOM 0 H LEU A 17 -1.397 2.736 0.587 1.00 0.00 H new ATOM 0 HA LEU A 17 -2.728 2.696 -1.891 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -3.450 2.962 0.991 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -4.660 3.416 -0.192 1.00 0.00 H new ATOM 0 HG LEU A 17 -4.459 1.233 -1.256 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -3.447 -0.712 -0.162 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -2.247 0.473 -0.731 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -2.650 0.374 1.000 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -5.542 -0.049 0.702 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -4.874 1.171 1.811 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -6.115 1.634 0.623 1.00 0.00 H new ATOM 303 N HIS A 18 -2.549 5.715 -0.503 1.00 0.00 N ATOM 304 CA HIS A 18 -2.569 7.155 -0.784 1.00 0.00 C ATOM 305 C HIS A 18 -1.668 7.491 -1.988 1.00 0.00 C ATOM 306 O HIS A 18 -2.143 8.139 -2.913 1.00 0.00 O ATOM 307 CB HIS A 18 -2.200 7.970 0.474 1.00 0.00 C ATOM 308 CG HIS A 18 -2.112 9.470 0.257 1.00 0.00 C ATOM 309 ND1 HIS A 18 -1.169 10.123 -0.494 1.00 0.00 N flip ATOM 310 CD2 HIS A 18 -2.929 10.438 0.805 1.00 0.00 C flip ATOM 311 CE1 HIS A 18 -1.416 11.500 -0.428 1.00 0.00 C flip ATOM 312 NE2 HIS A 18 -2.487 11.638 0.376 1.00 0.00 N flip ATOM 0 H HIS A 18 -2.281 5.496 0.457 1.00 0.00 H new ATOM 0 HA HIS A 18 -3.585 7.441 -1.057 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -2.941 7.772 1.248 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -1.241 7.615 0.852 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -3.771 10.266 1.459 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -0.863 12.287 -0.919 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -2.909 12.532 0.628 1.00 0.00 H new ATOM 320 N ALA A 19 -0.398 7.063 -2.007 1.00 0.00 N ATOM 321 CA ALA A 19 0.596 7.330 -3.059 1.00 0.00 C ATOM 322 C ALA A 19 0.062 7.198 -4.500 1.00 0.00 C ATOM 323 O ALA A 19 0.344 8.044 -5.355 1.00 0.00 O ATOM 324 CB ALA A 19 1.831 6.455 -2.824 1.00 0.00 C ATOM 0 H ALA A 19 -0.016 6.493 -1.252 1.00 0.00 H new ATOM 0 HA ALA A 19 0.866 8.383 -2.976 1.00 0.00 H new ATOM 0 HB1 ALA A 19 2.569 6.651 -3.602 1.00 0.00 H new ATOM 0 HB2 ALA A 19 2.261 6.687 -1.849 1.00 0.00 H new ATOM 0 HB3 ALA A 19 1.543 5.404 -2.853 1.00 0.00 H new ATOM 330 N HIS A 20 -0.717 6.146 -4.784 1.00 0.00 N ATOM 331 CA HIS A 20 -1.360 5.944 -6.091 1.00 0.00 C ATOM 332 C HIS A 20 -2.575 6.874 -6.279 1.00 0.00 C ATOM 333 O HIS A 20 -2.680 7.535 -7.312 1.00 0.00 O ATOM 334 CB HIS A 20 -1.699 4.463 -6.288 1.00 0.00 C ATOM 335 CG HIS A 20 -2.560 4.223 -7.503 1.00 0.00 C ATOM 336 ND1 HIS A 20 -2.196 4.453 -8.820 1.00 0.00 N ATOM 337 CD2 HIS A 20 -3.883 3.888 -7.477 1.00 0.00 C ATOM 338 CE1 HIS A 20 -3.296 4.277 -9.581 1.00 0.00 C ATOM 339 NE2 HIS A 20 -4.332 3.942 -8.784 1.00 0.00 N ATOM 0 H HIS A 20 -0.920 5.407 -4.111 1.00 0.00 H new ATOM 0 HA HIS A 20 -0.656 6.222 -6.876 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -0.775 3.892 -6.383 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -2.214 4.091 -5.403 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -4.466 3.631 -6.605 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -3.340 4.387 -10.655 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -5.287 3.759 -9.094 1.00 0.00 H new ATOM 348 N LYS A 21 -3.484 6.962 -5.300 1.00 0.00 N ATOM 349 CA LYS A 21 -4.652 7.873 -5.351 1.00 0.00 C ATOM 350 C LYS A 21 -4.253 9.347 -5.537 1.00 0.00 C ATOM 351 O LYS A 21 -4.927 10.066 -6.266 1.00 0.00 O ATOM 352 CB LYS A 21 -5.569 7.666 -4.127 1.00 0.00 C ATOM 353 CG LYS A 21 -6.823 6.850 -4.489 1.00 0.00 C ATOM 354 CD LYS A 21 -6.501 5.403 -4.898 1.00 0.00 C ATOM 355 CE LYS A 21 -7.757 4.662 -5.372 1.00 0.00 C ATOM 356 NZ LYS A 21 -8.154 5.040 -6.756 1.00 0.00 N ATOM 0 H LYS A 21 -3.437 6.406 -4.446 1.00 0.00 H new ATOM 0 HA LYS A 21 -5.223 7.609 -6.241 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -5.016 7.154 -3.340 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -5.868 8.635 -3.728 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -7.501 6.838 -3.636 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -7.348 7.344 -5.306 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -5.756 5.406 -5.694 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -6.062 4.874 -4.052 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -7.579 3.588 -5.329 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -8.580 4.876 -4.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -9.114 4.690 -6.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -8.137 6.075 -6.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -7.489 4.619 -7.435 1.00 0.00 H new ATOM 370 N CYS A 22 -3.161 9.782 -4.915 1.00 0.00 N ATOM 371 CA CYS A 22 -2.561 11.111 -4.975 1.00 0.00 C ATOM 372 C CYS A 22 -2.224 11.517 -6.429 1.00 0.00 C ATOM 373 O CYS A 22 -2.783 12.478 -6.967 1.00 0.00 O ATOM 374 CB CYS A 22 -1.353 11.066 -4.027 1.00 0.00 C ATOM 375 SG CYS A 22 -0.628 12.702 -3.759 1.00 0.00 S ATOM 0 H CYS A 22 -2.629 9.162 -4.305 1.00 0.00 H new ATOM 0 HA CYS A 22 -3.246 11.894 -4.649 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -1.661 10.646 -3.069 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -0.596 10.399 -4.439 1.00 0.00 H new ATOM 0 HG CYS A 22 -1.201 13.269 -2.739 1.00 0.00 H new ATOM 627 N HIS A 39 5.671 12.172 3.294 1.00 0.00 N ATOM 628 CA HIS A 39 5.993 10.733 3.226 1.00 0.00 C ATOM 629 C HIS A 39 5.357 9.999 2.027 1.00 0.00 C ATOM 630 O HIS A 39 5.891 8.976 1.590 1.00 0.00 O ATOM 631 CB HIS A 39 5.635 10.079 4.570 1.00 0.00 C ATOM 632 CG HIS A 39 6.408 10.682 5.722 1.00 0.00 C ATOM 633 ND1 HIS A 39 5.935 11.604 6.642 1.00 0.00 N ATOM 634 CD2 HIS A 39 7.733 10.465 5.982 1.00 0.00 C ATOM 635 CE1 HIS A 39 6.962 11.932 7.454 1.00 0.00 C ATOM 636 NE2 HIS A 39 8.063 11.251 7.073 1.00 0.00 N ATOM 0 HA HIS A 39 7.064 10.642 3.048 1.00 0.00 H new ATOM 0 HB2 HIS A 39 4.566 10.191 4.753 1.00 0.00 H new ATOM 0 HB3 HIS A 39 5.839 9.010 4.518 1.00 0.00 H new ATOM 0 HD2 HIS A 39 8.395 9.806 5.440 1.00 0.00 H new ATOM 0 HE1 HIS A 39 6.911 12.629 8.278 1.00 0.00 H new ATOM 0 HE2 HIS A 39 8.981 11.306 7.513 1.00 0.00 H new ATOM 645 N CYS A 40 4.272 10.532 1.456 1.00 0.00 N ATOM 646 CA CYS A 40 3.623 10.055 0.234 1.00 0.00 C ATOM 647 C CYS A 40 4.649 9.966 -0.914 1.00 0.00 C ATOM 648 O CYS A 40 4.763 8.936 -1.581 1.00 0.00 O ATOM 649 CB CYS A 40 2.477 11.024 -0.087 1.00 0.00 C ATOM 650 SG CYS A 40 1.807 10.756 -1.746 1.00 0.00 S ATOM 0 H CYS A 40 3.802 11.345 1.853 1.00 0.00 H new ATOM 0 HA CYS A 40 3.219 9.051 0.366 1.00 0.00 H new ATOM 0 HB2 CYS A 40 1.682 10.902 0.649 1.00 0.00 H new ATOM 0 HB3 CYS A 40 2.835 12.050 -0.002 1.00 0.00 H new ATOM 0 HG CYS A 40 0.588 10.313 -1.655 1.00 0.00 H new ATOM 655 N ARG A 41 5.455 11.021 -1.111 1.00 0.00 N ATOM 656 CA ARG A 41 6.531 11.089 -2.116 1.00 0.00 C ATOM 657 C ARG A 41 7.523 9.924 -1.986 1.00 0.00 C ATOM 658 O ARG A 41 7.923 9.354 -3.002 1.00 0.00 O ATOM 659 CB ARG A 41 7.207 12.477 -2.080 1.00 0.00 C ATOM 660 CG ARG A 41 7.255 13.154 -3.461 1.00 0.00 C ATOM 661 CD ARG A 41 5.879 13.540 -4.032 1.00 0.00 C ATOM 662 NE ARG A 41 5.166 14.555 -3.223 1.00 0.00 N ATOM 663 CZ ARG A 41 4.027 14.405 -2.563 1.00 0.00 C ATOM 664 NH1 ARG A 41 3.475 13.255 -2.356 1.00 0.00 N ATOM 665 NH2 ARG A 41 3.377 15.414 -2.083 1.00 0.00 N ATOM 0 H ARG A 41 5.375 11.876 -0.560 1.00 0.00 H new ATOM 0 HA ARG A 41 6.088 10.971 -3.105 1.00 0.00 H new ATOM 0 HB2 ARG A 41 6.669 13.120 -1.384 1.00 0.00 H new ATOM 0 HB3 ARG A 41 8.222 12.372 -1.697 1.00 0.00 H new ATOM 0 HG2 ARG A 41 7.869 14.052 -3.390 1.00 0.00 H new ATOM 0 HG3 ARG A 41 7.750 12.483 -4.163 1.00 0.00 H new ATOM 0 HD2 ARG A 41 6.009 13.921 -5.045 1.00 0.00 H new ATOM 0 HD3 ARG A 41 5.261 12.645 -4.104 1.00 0.00 H new ATOM 0 HE ARG A 41 5.602 15.475 -3.168 1.00 0.00 H new ATOM 0 HH11 ARG A 41 3.918 12.406 -2.708 1.00 0.00 H new ATOM 0 HH12 ARG A 41 2.597 13.196 -1.841 1.00 0.00 H new ATOM 0 HH21 ARG A 41 3.739 16.360 -2.208 1.00 0.00 H new ATOM 0 HH22 ARG A 41 2.503 15.265 -1.580 1.00 0.00 H new ATOM 679 N THR A 42 7.878 9.521 -0.762 1.00 0.00 N ATOM 680 CA THR A 42 8.716 8.332 -0.501 1.00 0.00 C ATOM 681 C THR A 42 8.006 7.086 -1.034 1.00 0.00 C ATOM 682 O THR A 42 8.578 6.346 -1.833 1.00 0.00 O ATOM 683 CB THR A 42 9.063 8.155 0.990 1.00 0.00 C ATOM 684 OG1 THR A 42 9.620 9.353 1.492 1.00 0.00 O ATOM 685 CG2 THR A 42 10.092 7.039 1.208 1.00 0.00 C ATOM 0 H THR A 42 7.593 10.010 0.086 1.00 0.00 H new ATOM 0 HA THR A 42 9.663 8.479 -1.021 1.00 0.00 H new ATOM 0 HB THR A 42 8.139 7.897 1.507 1.00 0.00 H new ATOM 0 HG1 THR A 42 9.839 9.240 2.441 1.00 0.00 H new ATOM 0 HG21 THR A 42 10.309 6.947 2.272 1.00 0.00 H new ATOM 0 HG22 THR A 42 9.690 6.096 0.837 1.00 0.00 H new ATOM 0 HG23 THR A 42 11.009 7.280 0.670 1.00 0.00 H new ATOM 693 N MET A 43 6.740 6.871 -0.651 1.00 0.00 N ATOM 694 CA MET A 43 5.931 5.756 -1.162 1.00 0.00 C ATOM 695 C MET A 43 5.790 5.789 -2.697 1.00 0.00 C ATOM 696 O MET A 43 5.852 4.731 -3.312 1.00 0.00 O ATOM 697 CB MET A 43 4.562 5.664 -0.483 1.00 0.00 C ATOM 698 CG MET A 43 4.612 5.275 0.997 1.00 0.00 C ATOM 699 SD MET A 43 5.464 3.726 1.428 1.00 0.00 S ATOM 700 CE MET A 43 7.053 4.382 2.009 1.00 0.00 C ATOM 0 H MET A 43 6.249 7.463 0.019 1.00 0.00 H new ATOM 0 HA MET A 43 6.479 4.849 -0.905 1.00 0.00 H new ATOM 0 HB2 MET A 43 4.059 6.627 -0.576 1.00 0.00 H new ATOM 0 HB3 MET A 43 3.954 4.934 -1.017 1.00 0.00 H new ATOM 0 HG2 MET A 43 5.093 6.087 1.542 1.00 0.00 H new ATOM 0 HG3 MET A 43 3.587 5.209 1.363 1.00 0.00 H new ATOM 0 HE1 MET A 43 7.698 3.557 2.313 1.00 0.00 H new ATOM 0 HE2 MET A 43 7.532 4.940 1.204 1.00 0.00 H new ATOM 0 HE3 MET A 43 6.885 5.044 2.859 1.00 0.00 H new ATOM 710 N LYS A 44 5.641 6.956 -3.346 1.00 0.00 N ATOM 711 CA LYS A 44 5.598 7.090 -4.821 1.00 0.00 C ATOM 712 C LYS A 44 6.891 6.584 -5.472 1.00 0.00 C ATOM 713 O LYS A 44 6.833 5.840 -6.451 1.00 0.00 O ATOM 714 CB LYS A 44 5.318 8.534 -5.271 1.00 0.00 C ATOM 715 CG LYS A 44 3.850 8.959 -5.111 1.00 0.00 C ATOM 716 CD LYS A 44 3.601 10.239 -5.930 1.00 0.00 C ATOM 717 CE LYS A 44 2.174 10.780 -5.806 1.00 0.00 C ATOM 718 NZ LYS A 44 1.956 11.529 -4.554 1.00 0.00 N ATOM 0 H LYS A 44 5.545 7.847 -2.859 1.00 0.00 H new ATOM 0 HA LYS A 44 4.769 6.467 -5.156 1.00 0.00 H new ATOM 0 HB2 LYS A 44 5.948 9.213 -4.696 1.00 0.00 H new ATOM 0 HB3 LYS A 44 5.606 8.641 -6.317 1.00 0.00 H new ATOM 0 HG2 LYS A 44 3.189 8.161 -5.450 1.00 0.00 H new ATOM 0 HG3 LYS A 44 3.623 9.136 -4.060 1.00 0.00 H new ATOM 0 HD2 LYS A 44 4.302 11.009 -5.607 1.00 0.00 H new ATOM 0 HD3 LYS A 44 3.813 10.035 -6.980 1.00 0.00 H new ATOM 0 HE2 LYS A 44 1.961 11.430 -6.655 1.00 0.00 H new ATOM 0 HE3 LYS A 44 1.469 9.950 -5.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 1.037 12.014 -4.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 1.964 10.870 -3.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 2.713 12.232 -4.434 1.00 0.00 H new ATOM 732 N ASN A 45 8.056 6.952 -4.931 1.00 0.00 N ATOM 733 CA ASN A 45 9.362 6.464 -5.401 1.00 0.00 C ATOM 734 C ASN A 45 9.429 4.926 -5.286 1.00 0.00 C ATOM 735 O ASN A 45 9.817 4.239 -6.235 1.00 0.00 O ATOM 736 CB ASN A 45 10.499 7.164 -4.634 1.00 0.00 C ATOM 737 CG ASN A 45 10.828 8.532 -5.210 1.00 0.00 C ATOM 738 OD1 ASN A 45 11.727 8.686 -6.025 1.00 0.00 O ATOM 739 ND2 ASN A 45 10.120 9.568 -4.822 1.00 0.00 N ATOM 0 H ASN A 45 8.123 7.602 -4.148 1.00 0.00 H new ATOM 0 HA ASN A 45 9.487 6.712 -6.455 1.00 0.00 H new ATOM 0 HB2 ASN A 45 10.215 7.272 -3.587 1.00 0.00 H new ATOM 0 HB3 ASN A 45 11.391 6.538 -4.660 1.00 0.00 H new ATOM 0 HD21 ASN A 45 10.321 10.494 -5.200 1.00 0.00 H new ATOM 0 HD22 ASN A 45 9.369 9.447 -4.143 1.00 0.00 H new ATOM 746 N VAL A 46 9.008 4.386 -4.138 1.00 0.00 N ATOM 747 CA VAL A 46 8.907 2.942 -3.855 1.00 0.00 C ATOM 748 C VAL A 46 7.982 2.255 -4.874 1.00 0.00 C ATOM 749 O VAL A 46 8.403 1.308 -5.529 1.00 0.00 O ATOM 750 CB VAL A 46 8.474 2.724 -2.392 1.00 0.00 C ATOM 751 CG1 VAL A 46 8.130 1.270 -2.069 1.00 0.00 C ATOM 752 CG2 VAL A 46 9.596 3.170 -1.442 1.00 0.00 C ATOM 0 H VAL A 46 8.716 4.960 -3.347 1.00 0.00 H new ATOM 0 HA VAL A 46 9.884 2.473 -3.969 1.00 0.00 H new ATOM 0 HB VAL A 46 7.572 3.320 -2.255 1.00 0.00 H new ATOM 0 HG11 VAL A 46 7.834 1.190 -1.023 1.00 0.00 H new ATOM 0 HG12 VAL A 46 7.308 0.941 -2.705 1.00 0.00 H new ATOM 0 HG13 VAL A 46 9.002 0.641 -2.248 1.00 0.00 H new ATOM 0 HG21 VAL A 46 9.283 3.013 -0.410 1.00 0.00 H new ATOM 0 HG22 VAL A 46 10.495 2.586 -1.641 1.00 0.00 H new ATOM 0 HG23 VAL A 46 9.808 4.228 -1.600 1.00 0.00 H new ATOM 762 N LEU A 47 6.752 2.750 -5.055 1.00 0.00 N ATOM 763 CA LEU A 47 5.719 2.329 -6.016 1.00 0.00 C ATOM 764 C LEU A 47 6.278 2.238 -7.446 1.00 0.00 C ATOM 765 O LEU A 47 6.143 1.200 -8.098 1.00 0.00 O ATOM 766 CB LEU A 47 4.535 3.311 -5.861 1.00 0.00 C ATOM 767 CG LEU A 47 3.244 3.062 -6.656 1.00 0.00 C ATOM 768 CD1 LEU A 47 3.311 3.462 -8.126 1.00 0.00 C ATOM 769 CD2 LEU A 47 2.799 1.611 -6.557 1.00 0.00 C ATOM 0 H LEU A 47 6.422 3.526 -4.482 1.00 0.00 H new ATOM 0 HA LEU A 47 5.368 1.318 -5.809 1.00 0.00 H new ATOM 0 HB2 LEU A 47 4.269 3.340 -4.804 1.00 0.00 H new ATOM 0 HB3 LEU A 47 4.896 4.305 -6.126 1.00 0.00 H new ATOM 0 HG LEU A 47 2.512 3.717 -6.184 1.00 0.00 H new ATOM 0 HD11 LEU A 47 2.355 3.249 -8.605 1.00 0.00 H new ATOM 0 HD12 LEU A 47 3.527 4.528 -8.204 1.00 0.00 H new ATOM 0 HD13 LEU A 47 4.099 2.895 -8.622 1.00 0.00 H new ATOM 0 HD21 LEU A 47 1.883 1.471 -7.131 1.00 0.00 H new ATOM 0 HD22 LEU A 47 3.580 0.963 -6.956 1.00 0.00 H new ATOM 0 HD23 LEU A 47 2.615 1.357 -5.513 1.00 0.00 H new ATOM 781 N ASN A 48 6.930 3.305 -7.921 1.00 0.00 N ATOM 782 CA ASN A 48 7.586 3.377 -9.230 1.00 0.00 C ATOM 783 C ASN A 48 8.618 2.251 -9.417 1.00 0.00 C ATOM 784 O ASN A 48 8.658 1.608 -10.465 1.00 0.00 O ATOM 785 CB ASN A 48 8.241 4.756 -9.383 1.00 0.00 C ATOM 786 CG ASN A 48 8.912 4.902 -10.741 1.00 0.00 C ATOM 787 OD1 ASN A 48 8.274 4.888 -11.784 1.00 0.00 O ATOM 788 ND2 ASN A 48 10.220 5.031 -10.777 1.00 0.00 N ATOM 0 H ASN A 48 7.018 4.170 -7.387 1.00 0.00 H new ATOM 0 HA ASN A 48 6.834 3.241 -10.007 1.00 0.00 H new ATOM 0 HB2 ASN A 48 7.488 5.534 -9.262 1.00 0.00 H new ATOM 0 HB3 ASN A 48 8.978 4.900 -8.593 1.00 0.00 H new ATOM 0 HD21 ASN A 48 10.699 5.119 -11.673 1.00 0.00 H new ATOM 0 HD22 ASN A 48 10.755 5.043 -9.909 1.00 0.00 H new ATOM 795 N HIS A 49 9.459 2.003 -8.410 1.00 0.00 N ATOM 796 CA HIS A 49 10.426 0.906 -8.429 1.00 0.00 C ATOM 797 C HIS A 49 9.692 -0.456 -8.459 1.00 0.00 C ATOM 798 O HIS A 49 9.967 -1.285 -9.326 1.00 0.00 O ATOM 799 CB HIS A 49 11.385 1.054 -7.237 1.00 0.00 C ATOM 800 CG HIS A 49 12.305 -0.131 -7.076 1.00 0.00 C ATOM 801 ND1 HIS A 49 13.510 -0.318 -7.721 1.00 0.00 N ATOM 802 CD2 HIS A 49 12.013 -1.286 -6.399 1.00 0.00 C ATOM 803 CE1 HIS A 49 13.918 -1.577 -7.465 1.00 0.00 C ATOM 804 NE2 HIS A 49 13.043 -2.198 -6.655 1.00 0.00 N ATOM 0 H HIS A 49 9.487 2.560 -7.556 1.00 0.00 H new ATOM 0 HA HIS A 49 11.029 0.946 -9.336 1.00 0.00 H new ATOM 0 HB2 HIS A 49 11.982 1.957 -7.367 1.00 0.00 H new ATOM 0 HB3 HIS A 49 10.805 1.184 -6.324 1.00 0.00 H new ATOM 0 HD1 HIS A 49 14.003 0.371 -8.289 1.00 0.00 H new ATOM 0 HD2 HIS A 49 11.145 -1.461 -5.780 1.00 0.00 H new ATOM 0 HE1 HIS A 49 14.820 -2.024 -7.855 1.00 0.00 H new ATOM 812 N MET A 50 8.743 -0.668 -7.538 1.00 0.00 N ATOM 813 CA MET A 50 7.912 -1.867 -7.345 1.00 0.00 C ATOM 814 C MET A 50 7.359 -2.487 -8.640 1.00 0.00 C ATOM 815 O MET A 50 7.461 -3.700 -8.836 1.00 0.00 O ATOM 816 CB MET A 50 6.742 -1.553 -6.389 1.00 0.00 C ATOM 817 CG MET A 50 6.656 -2.518 -5.207 1.00 0.00 C ATOM 818 SD MET A 50 5.004 -2.739 -4.478 1.00 0.00 S ATOM 819 CE MET A 50 4.338 -1.050 -4.442 1.00 0.00 C ATOM 0 H MET A 50 8.517 0.052 -6.852 1.00 0.00 H new ATOM 0 HA MET A 50 8.582 -2.613 -6.917 1.00 0.00 H new ATOM 0 HB2 MET A 50 6.852 -0.536 -6.012 1.00 0.00 H new ATOM 0 HB3 MET A 50 5.806 -1.587 -6.947 1.00 0.00 H new ATOM 0 HG2 MET A 50 7.022 -3.492 -5.531 1.00 0.00 H new ATOM 0 HG3 MET A 50 7.332 -2.167 -4.427 1.00 0.00 H new ATOM 0 HE1 MET A 50 3.349 -1.059 -3.984 1.00 0.00 H new ATOM 0 HE2 MET A 50 5.001 -0.410 -3.861 1.00 0.00 H new ATOM 0 HE3 MET A 50 4.263 -0.667 -5.460 1.00 0.00 H new ATOM 829 N THR A 51 6.749 -1.679 -9.517 1.00 0.00 N ATOM 830 CA THR A 51 6.175 -2.138 -10.797 1.00 0.00 C ATOM 831 C THR A 51 7.236 -2.734 -11.727 1.00 0.00 C ATOM 832 O THR A 51 7.057 -3.833 -12.257 1.00 0.00 O ATOM 833 CB THR A 51 5.426 -1.022 -11.545 1.00 0.00 C ATOM 834 OG1 THR A 51 6.204 0.154 -11.605 1.00 0.00 O ATOM 835 CG2 THR A 51 4.096 -0.678 -10.879 1.00 0.00 C ATOM 0 H THR A 51 6.637 -0.677 -9.360 1.00 0.00 H new ATOM 0 HA THR A 51 5.461 -2.915 -10.525 1.00 0.00 H new ATOM 0 HB THR A 51 5.235 -1.402 -12.549 1.00 0.00 H new ATOM 0 HG1 THR A 51 5.709 0.850 -12.086 1.00 0.00 H new ATOM 0 HG21 THR A 51 3.602 0.115 -11.441 1.00 0.00 H new ATOM 0 HG22 THR A 51 3.459 -1.562 -10.861 1.00 0.00 H new ATOM 0 HG23 THR A 51 4.277 -0.341 -9.858 1.00 0.00 H new ATOM 843 N HIS A 52 8.333 -2.003 -11.941 1.00 0.00 N ATOM 844 CA HIS A 52 9.464 -2.376 -12.801 1.00 0.00 C ATOM 845 C HIS A 52 10.270 -3.572 -12.259 1.00 0.00 C ATOM 846 O HIS A 52 10.648 -4.454 -13.035 1.00 0.00 O ATOM 847 CB HIS A 52 10.344 -1.136 -13.026 1.00 0.00 C ATOM 848 CG HIS A 52 9.610 -0.032 -13.754 1.00 0.00 C ATOM 849 ND1 HIS A 52 9.025 1.080 -13.176 1.00 0.00 N ATOM 850 CD2 HIS A 52 9.364 0.014 -15.097 1.00 0.00 C ATOM 851 CE1 HIS A 52 8.450 1.802 -14.156 1.00 0.00 C ATOM 852 NE2 HIS A 52 8.644 1.174 -15.336 1.00 0.00 N ATOM 0 H HIS A 52 8.465 -1.093 -11.500 1.00 0.00 H new ATOM 0 HA HIS A 52 9.070 -2.720 -13.757 1.00 0.00 H new ATOM 0 HB2 HIS A 52 10.694 -0.763 -12.064 1.00 0.00 H new ATOM 0 HB3 HIS A 52 11.227 -1.420 -13.598 1.00 0.00 H new ATOM 0 HD1 HIS A 52 9.029 1.312 -12.183 1.00 0.00 H new ATOM 0 HD2 HIS A 52 9.672 -0.715 -15.832 1.00 0.00 H new ATOM 0 HE1 HIS A 52 7.919 2.733 -14.021 1.00 0.00 H new ATOM 861 N CYS A 53 10.540 -3.602 -10.953 1.00 0.00 N ATOM 862 CA CYS A 53 11.274 -4.651 -10.242 1.00 0.00 C ATOM 863 C CYS A 53 10.608 -6.037 -10.380 1.00 0.00 C ATOM 864 O CYS A 53 9.380 -6.163 -10.379 1.00 0.00 O ATOM 865 CB CYS A 53 11.373 -4.216 -8.774 1.00 0.00 C ATOM 866 SG CYS A 53 12.332 -5.401 -7.775 1.00 0.00 S ATOM 0 H CYS A 53 10.236 -2.855 -10.329 1.00 0.00 H new ATOM 0 HA CYS A 53 12.266 -4.768 -10.678 1.00 0.00 H new ATOM 0 HB2 CYS A 53 11.840 -3.233 -8.718 1.00 0.00 H new ATOM 0 HB3 CYS A 53 10.371 -4.117 -8.357 1.00 0.00 H new ATOM 0 HG CYS A 53 12.067 -5.221 -6.515 1.00 0.00 H new ATOM 871 N GLN A 54 11.417 -7.095 -10.472 1.00 0.00 N ATOM 872 CA GLN A 54 11.004 -8.506 -10.581 1.00 0.00 C ATOM 873 C GLN A 54 11.732 -9.430 -9.578 1.00 0.00 C ATOM 874 O GLN A 54 11.456 -10.632 -9.531 1.00 0.00 O ATOM 875 CB GLN A 54 11.249 -8.997 -12.021 1.00 0.00 C ATOM 876 CG GLN A 54 10.445 -8.265 -13.111 1.00 0.00 C ATOM 877 CD GLN A 54 8.951 -8.589 -13.078 1.00 0.00 C ATOM 878 OE1 GLN A 54 8.472 -9.498 -13.746 1.00 0.00 O ATOM 879 NE2 GLN A 54 8.150 -7.874 -12.316 1.00 0.00 N ATOM 0 H GLN A 54 12.432 -6.991 -10.473 1.00 0.00 H new ATOM 0 HA GLN A 54 9.943 -8.554 -10.334 1.00 0.00 H new ATOM 0 HB2 GLN A 54 12.311 -8.896 -12.246 1.00 0.00 H new ATOM 0 HB3 GLN A 54 11.012 -10.060 -12.070 1.00 0.00 H new ATOM 0 HG2 GLN A 54 10.580 -7.190 -12.992 1.00 0.00 H new ATOM 0 HG3 GLN A 54 10.846 -8.530 -14.089 1.00 0.00 H new ATOM 0 HE21 GLN A 54 8.528 -7.113 -11.752 1.00 0.00 H new ATOM 0 HE22 GLN A 54 7.152 -8.081 -12.290 1.00 0.00 H new ATOM 888 N ALA A 55 12.658 -8.893 -8.777 1.00 0.00 N ATOM 889 CA ALA A 55 13.462 -9.633 -7.807 1.00 0.00 C ATOM 890 C ALA A 55 12.667 -10.097 -6.564 1.00 0.00 C ATOM 891 O ALA A 55 12.847 -11.232 -6.115 1.00 0.00 O ATOM 892 CB ALA A 55 14.675 -8.767 -7.449 1.00 0.00 C ATOM 0 H ALA A 55 12.874 -7.896 -8.789 1.00 0.00 H new ATOM 0 HA ALA A 55 13.793 -10.568 -8.259 1.00 0.00 H new ATOM 0 HB1 ALA A 55 15.297 -9.293 -6.725 1.00 0.00 H new ATOM 0 HB2 ALA A 55 15.257 -8.566 -8.349 1.00 0.00 H new ATOM 0 HB3 ALA A 55 14.335 -7.825 -7.019 1.00 0.00 H new ATOM 898 N GLY A 56 11.801 -9.244 -5.998 1.00 0.00 N ATOM 899 CA GLY A 56 10.960 -9.536 -4.824 1.00 0.00 C ATOM 900 C GLY A 56 11.761 -9.954 -3.586 1.00 0.00 C ATOM 901 O GLY A 56 12.327 -9.111 -2.891 1.00 0.00 O ATOM 0 H GLY A 56 11.661 -8.299 -6.356 1.00 0.00 H new ATOM 0 HA2 GLY A 56 10.368 -8.653 -4.583 1.00 0.00 H new ATOM 0 HA3 GLY A 56 10.258 -10.331 -5.078 1.00 0.00 H new ATOM 905 N LYS A 57 11.831 -11.267 -3.325 1.00 0.00 N ATOM 906 CA LYS A 57 12.592 -11.885 -2.222 1.00 0.00 C ATOM 907 C LYS A 57 14.076 -11.491 -2.268 1.00 0.00 C ATOM 908 O LYS A 57 14.684 -11.211 -1.234 1.00 0.00 O ATOM 909 CB LYS A 57 12.464 -13.421 -2.286 1.00 0.00 C ATOM 910 CG LYS A 57 11.045 -13.986 -2.098 1.00 0.00 C ATOM 911 CD LYS A 57 10.480 -13.747 -0.689 1.00 0.00 C ATOM 912 CE LYS A 57 9.232 -14.613 -0.475 1.00 0.00 C ATOM 913 NZ LYS A 57 8.829 -14.663 0.954 1.00 0.00 N ATOM 0 H LYS A 57 11.342 -11.956 -3.896 1.00 0.00 H new ATOM 0 HA LYS A 57 12.172 -11.519 -1.285 1.00 0.00 H new ATOM 0 HB2 LYS A 57 12.843 -13.758 -3.251 1.00 0.00 H new ATOM 0 HB3 LYS A 57 13.110 -13.852 -1.521 1.00 0.00 H new ATOM 0 HG2 LYS A 57 10.379 -13.531 -2.831 1.00 0.00 H new ATOM 0 HG3 LYS A 57 11.058 -15.057 -2.301 1.00 0.00 H new ATOM 0 HD2 LYS A 57 11.234 -13.988 0.061 1.00 0.00 H new ATOM 0 HD3 LYS A 57 10.229 -12.694 -0.562 1.00 0.00 H new ATOM 0 HE2 LYS A 57 8.409 -14.217 -1.070 1.00 0.00 H new ATOM 0 HE3 LYS A 57 9.426 -15.624 -0.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 8.222 -15.492 1.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 9.677 -14.734 1.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 8.305 -13.798 1.197 1.00 0.00 H new ATOM 927 N ALA A 58 14.650 -11.491 -3.472 1.00 0.00 N ATOM 928 CA ALA A 58 16.047 -11.166 -3.758 1.00 0.00 C ATOM 929 C ALA A 58 16.374 -9.653 -3.745 1.00 0.00 C ATOM 930 O ALA A 58 17.555 -9.294 -3.670 1.00 0.00 O ATOM 931 CB ALA A 58 16.399 -11.798 -5.112 1.00 0.00 C ATOM 0 H ALA A 58 14.127 -11.729 -4.315 1.00 0.00 H new ATOM 0 HA ALA A 58 16.658 -11.574 -2.953 1.00 0.00 H new ATOM 0 HB1 ALA A 58 17.437 -11.575 -5.359 1.00 0.00 H new ATOM 0 HB2 ALA A 58 16.263 -12.878 -5.056 1.00 0.00 H new ATOM 0 HB3 ALA A 58 15.747 -11.390 -5.884 1.00 0.00 H new ATOM 937 N CYS A 59 15.374 -8.764 -3.826 1.00 0.00 N ATOM 938 CA CYS A 59 15.573 -7.312 -3.841 1.00 0.00 C ATOM 939 C CYS A 59 16.115 -6.807 -2.485 1.00 0.00 C ATOM 940 O CYS A 59 15.523 -7.037 -1.423 1.00 0.00 O ATOM 941 CB CYS A 59 14.262 -6.618 -4.252 1.00 0.00 C ATOM 942 SG CYS A 59 14.588 -4.943 -4.904 1.00 0.00 S ATOM 0 H CYS A 59 14.393 -9.039 -3.884 1.00 0.00 H new ATOM 0 HA CYS A 59 16.332 -7.058 -4.581 1.00 0.00 H new ATOM 0 HB2 CYS A 59 13.752 -7.214 -5.009 1.00 0.00 H new ATOM 0 HB3 CYS A 59 13.594 -6.555 -3.393 1.00 0.00 H new ATOM 0 HG CYS A 59 13.903 -4.760 -5.993 1.00 0.00 H new ATOM 947 N GLN A 60 17.271 -6.138 -2.520 1.00 0.00 N ATOM 948 CA GLN A 60 17.966 -5.597 -1.345 1.00 0.00 C ATOM 949 C GLN A 60 17.221 -4.420 -0.684 1.00 0.00 C ATOM 950 O GLN A 60 17.389 -4.178 0.514 1.00 0.00 O ATOM 951 CB GLN A 60 19.395 -5.174 -1.728 1.00 0.00 C ATOM 952 CG GLN A 60 20.257 -6.362 -2.192 1.00 0.00 C ATOM 953 CD GLN A 60 21.697 -5.939 -2.476 1.00 0.00 C ATOM 954 OE1 GLN A 60 22.077 -5.634 -3.602 1.00 0.00 O ATOM 955 NE2 GLN A 60 22.559 -5.905 -1.481 1.00 0.00 N ATOM 0 H GLN A 60 17.765 -5.951 -3.393 1.00 0.00 H new ATOM 0 HA GLN A 60 17.999 -6.396 -0.605 1.00 0.00 H new ATOM 0 HB2 GLN A 60 19.349 -4.430 -2.523 1.00 0.00 H new ATOM 0 HB3 GLN A 60 19.871 -4.696 -0.872 1.00 0.00 H new ATOM 0 HG2 GLN A 60 20.250 -7.138 -1.426 1.00 0.00 H new ATOM 0 HG3 GLN A 60 19.822 -6.798 -3.091 1.00 0.00 H new ATOM 0 HE21 GLN A 60 22.260 -6.155 -0.538 1.00 0.00 H new ATOM 0 HE22 GLN A 60 23.526 -5.628 -1.653 1.00 0.00 H new ATOM 964 N VAL A 61 16.415 -3.674 -1.448 1.00 0.00 N ATOM 965 CA VAL A 61 15.648 -2.508 -0.977 1.00 0.00 C ATOM 966 C VAL A 61 14.550 -2.928 0.011 1.00 0.00 C ATOM 967 O VAL A 61 13.605 -3.638 -0.338 1.00 0.00 O ATOM 968 CB VAL A 61 15.047 -1.715 -2.160 1.00 0.00 C ATOM 969 CG1 VAL A 61 14.334 -0.441 -1.676 1.00 0.00 C ATOM 970 CG2 VAL A 61 16.137 -1.265 -3.146 1.00 0.00 C ATOM 0 H VAL A 61 16.272 -3.868 -2.439 1.00 0.00 H new ATOM 0 HA VAL A 61 16.342 -1.851 -0.452 1.00 0.00 H new ATOM 0 HB VAL A 61 14.343 -2.390 -2.647 1.00 0.00 H new ATOM 0 HG11 VAL A 61 13.923 0.093 -2.532 1.00 0.00 H new ATOM 0 HG12 VAL A 61 13.527 -0.712 -0.996 1.00 0.00 H new ATOM 0 HG13 VAL A 61 15.047 0.200 -1.157 1.00 0.00 H new ATOM 0 HG21 VAL A 61 15.680 -0.710 -3.965 1.00 0.00 H new ATOM 0 HG22 VAL A 61 16.853 -0.625 -2.630 1.00 0.00 H new ATOM 0 HG23 VAL A 61 16.652 -2.140 -3.543 1.00 0.00 H new ATOM 980 N ALA A 62 14.663 -2.453 1.255 1.00 0.00 N ATOM 981 CA ALA A 62 13.726 -2.688 2.360 1.00 0.00 C ATOM 982 C ALA A 62 12.263 -2.408 1.963 1.00 0.00 C ATOM 983 O ALA A 62 11.373 -3.256 2.074 1.00 0.00 O ATOM 984 CB ALA A 62 14.169 -1.787 3.524 1.00 0.00 C ATOM 0 H ALA A 62 15.449 -1.865 1.533 1.00 0.00 H new ATOM 0 HA ALA A 62 13.751 -3.739 2.647 1.00 0.00 H new ATOM 0 HB1 ALA A 62 13.497 -1.930 4.371 1.00 0.00 H new ATOM 0 HB2 ALA A 62 15.185 -2.047 3.819 1.00 0.00 H new ATOM 0 HB3 ALA A 62 14.139 -0.744 3.209 1.00 0.00 H new ATOM 990 N HIS A 63 12.028 -1.179 1.495 1.00 0.00 N ATOM 991 CA HIS A 63 10.728 -0.646 1.078 1.00 0.00 C ATOM 992 C HIS A 63 10.059 -1.452 -0.047 1.00 0.00 C ATOM 993 O HIS A 63 8.850 -1.655 0.022 1.00 0.00 O ATOM 994 CB HIS A 63 10.879 0.844 0.738 1.00 0.00 C ATOM 995 CG HIS A 63 11.537 1.641 1.842 1.00 0.00 C ATOM 996 ND1 HIS A 63 12.837 2.122 1.840 1.00 0.00 N ATOM 997 CD2 HIS A 63 10.990 1.900 3.068 1.00 0.00 C ATOM 998 CE1 HIS A 63 13.084 2.629 3.067 1.00 0.00 C ATOM 999 NE2 HIS A 63 11.980 2.491 3.833 1.00 0.00 N ATOM 0 H HIS A 63 12.777 -0.494 1.391 1.00 0.00 H new ATOM 0 HA HIS A 63 10.039 -0.749 1.916 1.00 0.00 H new ATOM 0 HB2 HIS A 63 11.467 0.945 -0.174 1.00 0.00 H new ATOM 0 HB3 HIS A 63 9.895 1.265 0.531 1.00 0.00 H new ATOM 0 HD2 HIS A 63 9.979 1.685 3.380 1.00 0.00 H new ATOM 0 HE1 HIS A 63 14.015 3.074 3.385 1.00 0.00 H new ATOM 0 HE2 HIS A 63 11.891 2.774 4.809 1.00 0.00 H new ATOM 1008 N CYS A 64 10.811 -1.930 -1.043 1.00 0.00 N ATOM 1009 CA CYS A 64 10.319 -2.776 -2.142 1.00 0.00 C ATOM 1010 C CYS A 64 9.705 -4.075 -1.575 1.00 0.00 C ATOM 1011 O CYS A 64 8.506 -4.331 -1.717 1.00 0.00 O ATOM 1012 CB CYS A 64 11.484 -3.034 -3.117 1.00 0.00 C ATOM 1013 SG CYS A 64 10.990 -4.101 -4.510 1.00 0.00 S ATOM 0 H CYS A 64 11.810 -1.735 -1.112 1.00 0.00 H new ATOM 0 HA CYS A 64 9.523 -2.278 -2.695 1.00 0.00 H new ATOM 0 HB2 CYS A 64 11.851 -2.083 -3.502 1.00 0.00 H new ATOM 0 HB3 CYS A 64 12.310 -3.500 -2.579 1.00 0.00 H new ATOM 0 HG CYS A 64 9.832 -3.718 -4.960 1.00 0.00 H new ATOM 1018 N ALA A 65 10.513 -4.864 -0.857 1.00 0.00 N ATOM 1019 CA ALA A 65 10.091 -6.092 -0.182 1.00 0.00 C ATOM 1020 C ALA A 65 8.841 -5.870 0.701 1.00 0.00 C ATOM 1021 O ALA A 65 7.892 -6.655 0.646 1.00 0.00 O ATOM 1022 CB ALA A 65 11.284 -6.640 0.610 1.00 0.00 C ATOM 0 H ALA A 65 11.504 -4.659 -0.727 1.00 0.00 H new ATOM 0 HA ALA A 65 9.786 -6.831 -0.923 1.00 0.00 H new ATOM 0 HB1 ALA A 65 10.991 -7.557 1.122 1.00 0.00 H new ATOM 0 HB2 ALA A 65 12.107 -6.853 -0.072 1.00 0.00 H new ATOM 0 HB3 ALA A 65 11.604 -5.901 1.345 1.00 0.00 H new ATOM 1028 N SER A 66 8.833 -4.794 1.495 1.00 0.00 N ATOM 1029 CA SER A 66 7.726 -4.387 2.375 1.00 0.00 C ATOM 1030 C SER A 66 6.438 -4.057 1.602 1.00 0.00 C ATOM 1031 O SER A 66 5.405 -4.681 1.837 1.00 0.00 O ATOM 1032 CB SER A 66 8.124 -3.178 3.230 1.00 0.00 C ATOM 1033 OG SER A 66 9.275 -3.465 3.996 1.00 0.00 O ATOM 0 H SER A 66 9.627 -4.156 1.546 1.00 0.00 H new ATOM 0 HA SER A 66 7.520 -5.244 3.016 1.00 0.00 H new ATOM 0 HB2 SER A 66 8.314 -2.319 2.587 1.00 0.00 H new ATOM 0 HB3 SER A 66 7.300 -2.906 3.890 1.00 0.00 H new ATOM 0 HG SER A 66 10.070 -3.406 3.426 1.00 0.00 H new ATOM 1039 N SER A 67 6.485 -3.082 0.688 1.00 0.00 N ATOM 1040 CA SER A 67 5.356 -2.626 -0.149 1.00 0.00 C ATOM 1041 C SER A 67 4.704 -3.761 -0.944 1.00 0.00 C ATOM 1042 O SER A 67 3.476 -3.869 -0.963 1.00 0.00 O ATOM 1043 CB SER A 67 5.750 -1.448 -1.044 1.00 0.00 C ATOM 1044 OG SER A 67 6.868 -1.736 -1.849 1.00 0.00 O ATOM 0 H SER A 67 7.343 -2.564 0.499 1.00 0.00 H new ATOM 0 HA SER A 67 4.592 -2.266 0.540 1.00 0.00 H new ATOM 0 HB2 SER A 67 4.906 -1.181 -1.681 1.00 0.00 H new ATOM 0 HB3 SER A 67 5.968 -0.580 -0.422 1.00 0.00 H new ATOM 0 HG SER A 67 7.677 -1.739 -1.296 1.00 0.00 H new ATOM 1050 N ARG A 68 5.492 -4.661 -1.545 1.00 0.00 N ATOM 1051 CA ARG A 68 4.976 -5.868 -2.214 1.00 0.00 C ATOM 1052 C ARG A 68 4.104 -6.682 -1.251 1.00 0.00 C ATOM 1053 O ARG A 68 2.986 -7.064 -1.595 1.00 0.00 O ATOM 1054 CB ARG A 68 6.141 -6.714 -2.740 1.00 0.00 C ATOM 1055 CG ARG A 68 6.834 -6.086 -3.955 1.00 0.00 C ATOM 1056 CD ARG A 68 8.106 -6.870 -4.300 1.00 0.00 C ATOM 1057 NE ARG A 68 8.104 -7.330 -5.701 1.00 0.00 N ATOM 1058 CZ ARG A 68 8.820 -6.840 -6.698 1.00 0.00 C ATOM 1059 NH1 ARG A 68 9.644 -5.852 -6.559 1.00 0.00 N ATOM 1060 NH2 ARG A 68 8.718 -7.364 -7.883 1.00 0.00 N ATOM 0 H ARG A 68 6.508 -4.575 -1.583 1.00 0.00 H new ATOM 0 HA ARG A 68 4.357 -5.567 -3.059 1.00 0.00 H new ATOM 0 HB2 ARG A 68 6.871 -6.853 -1.943 1.00 0.00 H new ATOM 0 HB3 ARG A 68 5.772 -7.703 -3.010 1.00 0.00 H new ATOM 0 HG2 ARG A 68 6.156 -6.083 -4.809 1.00 0.00 H new ATOM 0 HG3 ARG A 68 7.084 -5.046 -3.744 1.00 0.00 H new ATOM 0 HD2 ARG A 68 8.979 -6.241 -4.125 1.00 0.00 H new ATOM 0 HD3 ARG A 68 8.194 -7.730 -3.636 1.00 0.00 H new ATOM 0 HE ARG A 68 7.484 -8.109 -5.924 1.00 0.00 H new ATOM 0 HH11 ARG A 68 9.765 -5.413 -5.646 1.00 0.00 H new ATOM 0 HH12 ARG A 68 10.173 -5.512 -7.362 1.00 0.00 H new ATOM 0 HH21 ARG A 68 8.087 -8.150 -8.040 1.00 0.00 H new ATOM 0 HH22 ARG A 68 9.269 -6.989 -8.655 1.00 0.00 H new ATOM 1074 N GLN A 69 4.606 -6.931 -0.040 1.00 0.00 N ATOM 1075 CA GLN A 69 3.937 -7.673 1.033 1.00 0.00 C ATOM 1076 C GLN A 69 2.598 -7.046 1.455 1.00 0.00 C ATOM 1077 O GLN A 69 1.584 -7.743 1.433 1.00 0.00 O ATOM 1078 CB GLN A 69 4.897 -7.821 2.226 1.00 0.00 C ATOM 1079 CG GLN A 69 4.703 -9.130 3.002 1.00 0.00 C ATOM 1080 CD GLN A 69 3.441 -9.250 3.861 1.00 0.00 C ATOM 1081 OE1 GLN A 69 2.968 -10.341 4.117 1.00 0.00 O ATOM 1082 NE2 GLN A 69 2.860 -8.189 4.379 1.00 0.00 N ATOM 0 H GLN A 69 5.533 -6.606 0.233 1.00 0.00 H new ATOM 0 HA GLN A 69 3.684 -8.661 0.649 1.00 0.00 H new ATOM 0 HB2 GLN A 69 5.924 -7.769 1.865 1.00 0.00 H new ATOM 0 HB3 GLN A 69 4.755 -6.980 2.905 1.00 0.00 H new ATOM 0 HG2 GLN A 69 4.704 -9.952 2.286 1.00 0.00 H new ATOM 0 HG3 GLN A 69 5.568 -9.271 3.650 1.00 0.00 H new ATOM 0 HE21 GLN A 69 3.231 -7.259 4.185 1.00 0.00 H new ATOM 0 HE22 GLN A 69 2.039 -8.297 4.975 1.00 0.00 H new ATOM 1091 N ILE A 70 2.570 -5.761 1.844 1.00 0.00 N ATOM 1092 CA ILE A 70 1.320 -5.081 2.261 1.00 0.00 C ATOM 1093 C ILE A 70 0.200 -5.221 1.219 1.00 0.00 C ATOM 1094 O ILE A 70 -0.933 -5.547 1.580 1.00 0.00 O ATOM 1095 CB ILE A 70 1.485 -3.605 2.716 1.00 0.00 C ATOM 1096 CG1 ILE A 70 2.516 -2.764 1.953 1.00 0.00 C ATOM 1097 CG2 ILE A 70 1.756 -3.564 4.227 1.00 0.00 C ATOM 1098 CD1 ILE A 70 2.501 -1.256 2.252 1.00 0.00 C ATOM 0 H ILE A 70 3.398 -5.166 1.880 1.00 0.00 H new ATOM 0 HA ILE A 70 1.023 -5.621 3.160 1.00 0.00 H new ATOM 0 HB ILE A 70 0.537 -3.126 2.469 1.00 0.00 H new ATOM 0 HG12 ILE A 70 3.510 -3.150 2.178 1.00 0.00 H new ATOM 0 HG13 ILE A 70 2.353 -2.905 0.885 1.00 0.00 H new ATOM 0 HG21 ILE A 70 1.872 -2.529 4.548 1.00 0.00 H new ATOM 0 HG22 ILE A 70 0.920 -4.017 4.759 1.00 0.00 H new ATOM 0 HG23 ILE A 70 2.669 -4.117 4.448 1.00 0.00 H new ATOM 0 HD11 ILE A 70 3.269 -0.760 1.659 1.00 0.00 H new ATOM 0 HD12 ILE A 70 1.524 -0.844 1.998 1.00 0.00 H new ATOM 0 HD13 ILE A 70 2.699 -1.093 3.311 1.00 0.00 H new ATOM 1110 N ILE A 71 0.501 -5.013 -0.066 1.00 0.00 N ATOM 1111 CA ILE A 71 -0.482 -5.166 -1.152 1.00 0.00 C ATOM 1112 C ILE A 71 -0.863 -6.634 -1.363 1.00 0.00 C ATOM 1113 O ILE A 71 -2.049 -6.926 -1.524 1.00 0.00 O ATOM 1114 CB ILE A 71 -0.012 -4.454 -2.435 1.00 0.00 C ATOM 1115 CG1 ILE A 71 0.277 -2.964 -2.152 1.00 0.00 C ATOM 1116 CG2 ILE A 71 -1.053 -4.567 -3.561 1.00 0.00 C ATOM 1117 CD1 ILE A 71 -0.791 -2.228 -1.319 1.00 0.00 C ATOM 0 H ILE A 71 1.429 -4.735 -0.386 1.00 0.00 H new ATOM 0 HA ILE A 71 -1.404 -4.666 -0.855 1.00 0.00 H new ATOM 0 HB ILE A 71 0.903 -4.948 -2.762 1.00 0.00 H new ATOM 0 HG12 ILE A 71 1.233 -2.889 -1.633 1.00 0.00 H new ATOM 0 HG13 ILE A 71 0.390 -2.446 -3.105 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -0.686 -4.053 -4.449 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -1.224 -5.618 -3.795 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -1.989 -4.111 -3.239 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -0.491 -1.190 -1.178 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -1.747 -2.262 -1.842 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -0.891 -2.711 -0.347 1.00 0.00 H new ATOM 1129 N SER A 72 0.103 -7.560 -1.304 1.00 0.00 N ATOM 1130 CA SER A 72 -0.158 -9.009 -1.368 1.00 0.00 C ATOM 1131 C SER A 72 -1.204 -9.400 -0.323 1.00 0.00 C ATOM 1132 O SER A 72 -2.202 -10.034 -0.662 1.00 0.00 O ATOM 1133 CB SER A 72 1.104 -9.848 -1.140 1.00 0.00 C ATOM 1134 OG SER A 72 2.090 -9.544 -2.097 1.00 0.00 O ATOM 0 H SER A 72 1.092 -7.327 -1.210 1.00 0.00 H new ATOM 0 HA SER A 72 -0.522 -9.216 -2.374 1.00 0.00 H new ATOM 0 HB2 SER A 72 1.493 -9.661 -0.139 1.00 0.00 H new ATOM 0 HB3 SER A 72 0.855 -10.908 -1.193 1.00 0.00 H new ATOM 0 HG SER A 72 2.512 -8.689 -1.872 1.00 0.00 H new ATOM 1140 N HIS A 73 -0.997 -8.990 0.936 1.00 0.00 N ATOM 1141 CA HIS A 73 -1.939 -9.228 2.026 1.00 0.00 C ATOM 1142 C HIS A 73 -3.295 -8.592 1.702 1.00 0.00 C ATOM 1143 O HIS A 73 -4.274 -9.325 1.597 1.00 0.00 O ATOM 1144 CB HIS A 73 -1.383 -8.749 3.377 1.00 0.00 C ATOM 1145 CG HIS A 73 -2.236 -9.192 4.550 1.00 0.00 C ATOM 1146 ND1 HIS A 73 -1.861 -10.086 5.525 1.00 0.00 N ATOM 1147 CD2 HIS A 73 -3.524 -8.809 4.831 1.00 0.00 C ATOM 1148 CE1 HIS A 73 -2.901 -10.246 6.367 1.00 0.00 C ATOM 1149 NE2 HIS A 73 -3.943 -9.480 5.990 1.00 0.00 N ATOM 0 H HIS A 73 -0.162 -8.480 1.224 1.00 0.00 H new ATOM 0 HA HIS A 73 -2.086 -10.304 2.122 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -0.370 -9.131 3.505 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -1.315 -7.661 3.372 1.00 0.00 H new ATOM 0 HD1 HIS A 73 -0.954 -10.547 5.598 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -4.115 -8.110 4.257 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -2.899 -10.899 7.227 1.00 0.00 H new ATOM 1157 N TRP A 74 -3.373 -7.263 1.534 1.00 0.00 N ATOM 1158 CA TRP A 74 -4.634 -6.558 1.270 1.00 0.00 C ATOM 1159 C TRP A 74 -5.488 -7.172 0.147 1.00 0.00 C ATOM 1160 O TRP A 74 -6.705 -7.318 0.306 1.00 0.00 O ATOM 1161 CB TRP A 74 -4.401 -5.055 1.047 1.00 0.00 C ATOM 1162 CG TRP A 74 -5.653 -4.248 1.223 1.00 0.00 C ATOM 1163 CD1 TRP A 74 -6.433 -4.318 2.322 1.00 0.00 C ATOM 1164 CD2 TRP A 74 -6.313 -3.292 0.332 1.00 0.00 C ATOM 1165 NE1 TRP A 74 -7.555 -3.535 2.161 1.00 0.00 N ATOM 1166 CE2 TRP A 74 -7.533 -2.882 0.954 1.00 0.00 C ATOM 1167 CE3 TRP A 74 -6.018 -2.715 -0.924 1.00 0.00 C ATOM 1168 CZ2 TRP A 74 -8.425 -1.987 0.358 1.00 0.00 C ATOM 1169 CZ3 TRP A 74 -6.895 -1.781 -1.515 1.00 0.00 C ATOM 1170 CH2 TRP A 74 -8.103 -1.429 -0.883 1.00 0.00 C ATOM 0 H TRP A 74 -2.561 -6.647 1.578 1.00 0.00 H new ATOM 0 HA TRP A 74 -5.227 -6.687 2.176 1.00 0.00 H new ATOM 0 HB2 TRP A 74 -3.643 -4.701 1.745 1.00 0.00 H new ATOM 0 HB3 TRP A 74 -4.008 -4.896 0.043 1.00 0.00 H new ATOM 0 HD1 TRP A 74 -6.210 -4.904 3.201 1.00 0.00 H new ATOM 0 HE1 TRP A 74 -8.304 -3.452 2.849 1.00 0.00 H new ATOM 0 HE3 TRP A 74 -5.110 -2.993 -1.438 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 -9.351 -1.729 0.850 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 -6.637 -1.331 -2.462 1.00 0.00 H new ATOM 0 HH2 TRP A 74 -8.778 -0.731 -1.355 1.00 0.00 H new ATOM 1181 N LYS A 75 -4.870 -7.544 -0.983 1.00 0.00 N ATOM 1182 CA LYS A 75 -5.541 -8.176 -2.129 1.00 0.00 C ATOM 1183 C LYS A 75 -6.072 -9.580 -1.791 1.00 0.00 C ATOM 1184 O LYS A 75 -7.238 -9.874 -2.063 1.00 0.00 O ATOM 1185 CB LYS A 75 -4.595 -8.184 -3.343 1.00 0.00 C ATOM 1186 CG LYS A 75 -5.377 -8.287 -4.661 1.00 0.00 C ATOM 1187 CD LYS A 75 -4.422 -8.300 -5.861 1.00 0.00 C ATOM 1188 CE LYS A 75 -5.165 -8.011 -7.173 1.00 0.00 C ATOM 1189 NZ LYS A 75 -4.208 -7.827 -8.295 1.00 0.00 N ATOM 0 H LYS A 75 -3.869 -7.411 -1.129 1.00 0.00 H new ATOM 0 HA LYS A 75 -6.421 -7.585 -2.384 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -3.994 -7.274 -3.344 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -3.903 -9.022 -3.262 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -5.981 -9.195 -4.661 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -6.065 -7.446 -4.747 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -3.640 -7.556 -5.713 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -3.930 -9.271 -5.926 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -5.844 -8.833 -7.400 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -5.776 -7.115 -7.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -4.709 -7.937 -9.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -3.791 -6.875 -8.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -3.453 -8.539 -8.228 1.00 0.00 H new ATOM 1203 N ASN A 76 -5.237 -10.444 -1.205 1.00 0.00 N ATOM 1204 CA ASN A 76 -5.587 -11.814 -0.800 1.00 0.00 C ATOM 1205 C ASN A 76 -6.643 -11.877 0.322 1.00 0.00 C ATOM 1206 O ASN A 76 -7.497 -12.766 0.306 1.00 0.00 O ATOM 1207 CB ASN A 76 -4.321 -12.577 -0.375 1.00 0.00 C ATOM 1208 CG ASN A 76 -3.529 -13.133 -1.552 1.00 0.00 C ATOM 1209 OD1 ASN A 76 -3.257 -12.471 -2.544 1.00 0.00 O ATOM 1210 ND2 ASN A 76 -3.144 -14.386 -1.485 1.00 0.00 N ATOM 0 H ASN A 76 -4.269 -10.204 -0.992 1.00 0.00 H new ATOM 0 HA ASN A 76 -6.038 -12.287 -1.673 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -3.680 -11.911 0.203 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -4.604 -13.398 0.284 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -2.622 -14.801 -2.257 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -3.367 -14.945 -0.661 1.00 0.00 H new ATOM 1217 N CYS A 77 -6.557 -10.985 1.312 1.00 0.00 N ATOM 1218 CA CYS A 77 -7.416 -10.926 2.489 1.00 0.00 C ATOM 1219 C CYS A 77 -8.905 -10.706 2.135 1.00 0.00 C ATOM 1220 O CYS A 77 -9.303 -9.677 1.580 1.00 0.00 O ATOM 1221 CB CYS A 77 -6.829 -9.869 3.447 1.00 0.00 C ATOM 1222 SG CYS A 77 -7.419 -10.033 5.164 1.00 0.00 S ATOM 0 H CYS A 77 -5.850 -10.250 1.311 1.00 0.00 H new ATOM 0 HA CYS A 77 -7.424 -11.890 2.997 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -5.742 -9.945 3.436 1.00 0.00 H new ATOM 0 HB3 CYS A 77 -7.083 -8.875 3.078 1.00 0.00 H new ATOM 0 HG CYS A 77 -7.173 -8.935 5.814 1.00 0.00 H new ATOM 1227 N THR A 78 -9.728 -11.706 2.458 1.00 0.00 N ATOM 1228 CA THR A 78 -11.195 -11.764 2.264 1.00 0.00 C ATOM 1229 C THR A 78 -11.912 -12.201 3.556 1.00 0.00 C ATOM 1230 O THR A 78 -13.072 -12.624 3.546 1.00 0.00 O ATOM 1231 CB THR A 78 -11.569 -12.685 1.084 1.00 0.00 C ATOM 1232 OG1 THR A 78 -10.997 -13.972 1.244 1.00 0.00 O ATOM 1233 CG2 THR A 78 -11.107 -12.115 -0.259 1.00 0.00 C ATOM 0 H THR A 78 -9.372 -12.558 2.892 1.00 0.00 H new ATOM 0 HA THR A 78 -11.533 -10.757 2.019 1.00 0.00 H new ATOM 0 HB THR A 78 -12.657 -12.755 1.084 1.00 0.00 H new ATOM 0 HG1 THR A 78 -11.249 -14.539 0.485 1.00 0.00 H new ATOM 0 HG21 THR A 78 -11.392 -12.796 -1.061 1.00 0.00 H new ATOM 0 HG22 THR A 78 -11.576 -11.145 -0.423 1.00 0.00 H new ATOM 0 HG23 THR A 78 -10.023 -11.997 -0.251 1.00 0.00 H new ATOM 1241 N ARG A 79 -11.215 -12.061 4.692 1.00 0.00 N ATOM 1242 CA ARG A 79 -11.631 -12.362 6.070 1.00 0.00 C ATOM 1243 C ARG A 79 -12.824 -11.502 6.516 1.00 0.00 C ATOM 1244 O ARG A 79 -12.990 -10.376 6.039 1.00 0.00 O ATOM 1245 CB ARG A 79 -10.393 -12.088 6.954 1.00 0.00 C ATOM 1246 CG ARG A 79 -10.500 -12.487 8.436 1.00 0.00 C ATOM 1247 CD ARG A 79 -10.691 -13.994 8.682 1.00 0.00 C ATOM 1248 NE ARG A 79 -9.582 -14.806 8.140 1.00 0.00 N ATOM 1249 CZ ARG A 79 -9.488 -16.124 8.140 1.00 0.00 C ATOM 1250 NH1 ARG A 79 -10.406 -16.891 8.658 1.00 0.00 N ATOM 1251 NH2 ARG A 79 -8.454 -16.707 7.611 1.00 0.00 N ATOM 0 H ARG A 79 -10.260 -11.702 4.668 1.00 0.00 H new ATOM 0 HA ARG A 79 -11.968 -13.395 6.152 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -9.542 -12.614 6.521 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -10.168 -11.023 6.904 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -9.598 -12.159 8.953 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -11.337 -11.950 8.884 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -10.778 -14.175 9.753 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -11.628 -14.316 8.227 1.00 0.00 H new ATOM 0 HE ARG A 79 -8.806 -14.294 7.721 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -11.235 -16.477 9.084 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -10.295 -17.905 8.637 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -7.711 -16.147 7.194 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -8.386 -17.725 7.613 1.00 0.00 H new ATOM 1265 N HIS A 80 -13.618 -12.005 7.474 1.00 0.00 N ATOM 1266 CA HIS A 80 -14.739 -11.283 8.111 1.00 0.00 C ATOM 1267 C HIS A 80 -14.284 -9.892 8.581 1.00 0.00 C ATOM 1268 O HIS A 80 -14.891 -8.880 8.226 1.00 0.00 O ATOM 1269 CB HIS A 80 -15.318 -12.124 9.264 1.00 0.00 C ATOM 1270 CG HIS A 80 -16.393 -11.405 10.043 1.00 0.00 C ATOM 1271 ND1 HIS A 80 -16.204 -10.686 11.211 1.00 0.00 N ATOM 1272 CD2 HIS A 80 -17.714 -11.320 9.699 1.00 0.00 C ATOM 1273 CE1 HIS A 80 -17.397 -10.170 11.571 1.00 0.00 C ATOM 1274 NE2 HIS A 80 -18.330 -10.545 10.669 1.00 0.00 N ATOM 0 H HIS A 80 -13.498 -12.950 7.839 1.00 0.00 H new ATOM 0 HA HIS A 80 -15.534 -11.131 7.381 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -15.729 -13.049 8.860 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -14.512 -12.403 9.942 1.00 0.00 H new ATOM 0 HD1 HIS A 80 -15.322 -10.568 11.709 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -18.186 -11.770 8.838 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -17.577 -9.556 12.441 1.00 0.00 H new ATOM 1283 N ASP A 81 -13.192 -9.850 9.347 1.00 0.00 N ATOM 1284 CA ASP A 81 -12.530 -8.630 9.812 1.00 0.00 C ATOM 1285 C ASP A 81 -11.022 -8.832 10.071 1.00 0.00 C ATOM 1286 O ASP A 81 -10.605 -9.829 10.666 1.00 0.00 O ATOM 1287 CB ASP A 81 -13.237 -8.045 11.048 1.00 0.00 C ATOM 1288 CG ASP A 81 -13.114 -8.912 12.314 1.00 0.00 C ATOM 1289 OD1 ASP A 81 -13.827 -9.940 12.411 1.00 0.00 O ATOM 1290 OD2 ASP A 81 -12.351 -8.535 13.235 1.00 0.00 O ATOM 0 H ASP A 81 -12.727 -10.697 9.673 1.00 0.00 H new ATOM 0 HA ASP A 81 -12.611 -7.905 9.002 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -12.824 -7.058 11.256 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -14.293 -7.907 10.817 1.00 0.00 H new ATOM 1295 N CYS A 82 -10.225 -7.852 9.636 1.00 0.00 N ATOM 1296 CA CYS A 82 -8.775 -7.709 9.795 1.00 0.00 C ATOM 1297 C CYS A 82 -8.558 -6.233 10.230 1.00 0.00 C ATOM 1298 O CYS A 82 -9.281 -5.357 9.733 1.00 0.00 O ATOM 1299 CB CYS A 82 -8.102 -8.030 8.444 1.00 0.00 C ATOM 1300 SG CYS A 82 -6.428 -8.758 8.528 1.00 0.00 S ATOM 0 H CYS A 82 -10.615 -7.066 9.116 1.00 0.00 H new ATOM 0 HA CYS A 82 -8.342 -8.384 10.533 1.00 0.00 H new ATOM 0 HB2 CYS A 82 -8.747 -8.716 7.895 1.00 0.00 H new ATOM 0 HB3 CYS A 82 -8.047 -7.110 7.862 1.00 0.00 H new ATOM 0 HG CYS A 82 -6.231 -9.515 7.490 1.00 0.00 H new ATOM 1305 N PRO A 83 -7.631 -5.910 11.150 1.00 0.00 N ATOM 1306 CA PRO A 83 -7.450 -4.555 11.693 1.00 0.00 C ATOM 1307 C PRO A 83 -7.085 -3.441 10.696 1.00 0.00 C ATOM 1308 O PRO A 83 -7.129 -2.269 11.080 1.00 0.00 O ATOM 1309 CB PRO A 83 -6.393 -4.698 12.799 1.00 0.00 C ATOM 1310 CG PRO A 83 -5.624 -5.951 12.387 1.00 0.00 C ATOM 1311 CD PRO A 83 -6.725 -6.833 11.813 1.00 0.00 C ATOM 0 HA PRO A 83 -8.418 -4.205 12.052 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -5.743 -3.825 12.850 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -6.851 -4.812 13.782 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -4.853 -5.731 11.649 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -5.127 -6.421 13.236 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -6.322 -7.564 11.112 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -7.234 -7.392 12.598 1.00 0.00 H new ATOM 1319 N VAL A 84 -6.745 -3.751 9.441 1.00 0.00 N ATOM 1320 CA VAL A 84 -6.411 -2.761 8.394 1.00 0.00 C ATOM 1321 C VAL A 84 -7.224 -2.994 7.124 1.00 0.00 C ATOM 1322 O VAL A 84 -7.801 -2.059 6.570 1.00 0.00 O ATOM 1323 CB VAL A 84 -4.913 -2.716 8.021 1.00 0.00 C ATOM 1324 CG1 VAL A 84 -4.575 -1.287 7.574 1.00 0.00 C ATOM 1325 CG2 VAL A 84 -3.981 -3.116 9.164 1.00 0.00 C ATOM 0 H VAL A 84 -6.691 -4.715 9.111 1.00 0.00 H new ATOM 0 HA VAL A 84 -6.667 -1.799 8.838 1.00 0.00 H new ATOM 0 HB VAL A 84 -4.754 -3.445 7.226 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -3.520 -1.230 7.305 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -5.185 -1.022 6.710 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -4.780 -0.593 8.389 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -2.946 -3.060 8.826 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -4.125 -2.438 10.005 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -4.206 -4.136 9.477 1.00 0.00 H new ATOM 1335 N CYS A 85 -7.256 -4.236 6.650 1.00 0.00 N ATOM 1336 CA CYS A 85 -7.928 -4.664 5.442 1.00 0.00 C ATOM 1337 C CYS A 85 -9.410 -4.282 5.428 1.00 0.00 C ATOM 1338 O CYS A 85 -9.857 -3.567 4.528 1.00 0.00 O ATOM 1339 CB CYS A 85 -7.707 -6.177 5.282 1.00 0.00 C ATOM 1340 SG CYS A 85 -5.977 -6.643 5.622 1.00 0.00 S ATOM 0 H CYS A 85 -6.788 -5.006 7.128 1.00 0.00 H new ATOM 0 HA CYS A 85 -7.500 -4.143 4.585 1.00 0.00 H new ATOM 0 HB2 CYS A 85 -8.369 -6.716 5.960 1.00 0.00 H new ATOM 0 HB3 CYS A 85 -7.973 -6.479 4.269 1.00 0.00 H new ATOM 0 HG CYS A 85 -5.932 -7.405 6.674 1.00 0.00 H new ATOM 1345 N LEU A 86 -10.157 -4.757 6.427 1.00 0.00 N ATOM 1346 CA LEU A 86 -11.584 -4.504 6.590 1.00 0.00 C ATOM 1347 C LEU A 86 -11.961 -3.012 6.510 1.00 0.00 C ATOM 1348 O LEU A 86 -12.762 -2.692 5.632 1.00 0.00 O ATOM 1349 CB LEU A 86 -12.103 -5.249 7.835 1.00 0.00 C ATOM 1350 CG LEU A 86 -13.632 -5.310 8.014 1.00 0.00 C ATOM 1351 CD1 LEU A 86 -14.229 -4.011 8.556 1.00 0.00 C ATOM 1352 CD2 LEU A 86 -14.334 -5.744 6.726 1.00 0.00 C ATOM 0 H LEU A 86 -9.771 -5.346 7.165 1.00 0.00 H new ATOM 0 HA LEU A 86 -12.113 -4.919 5.732 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -11.722 -6.270 7.805 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -11.675 -4.776 8.719 1.00 0.00 H new ATOM 0 HG LEU A 86 -13.812 -6.071 8.773 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -15.309 -4.122 8.658 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -13.793 -3.789 9.530 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -14.012 -3.195 7.867 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -15.411 -5.775 6.891 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -14.109 -5.032 5.932 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -13.983 -6.734 6.436 1.00 0.00 H new ATOM 1364 N PRO A 87 -11.444 -2.085 7.349 1.00 0.00 N ATOM 1365 CA PRO A 87 -11.817 -0.668 7.269 1.00 0.00 C ATOM 1366 C PRO A 87 -11.619 -0.059 5.867 1.00 0.00 C ATOM 1367 O PRO A 87 -12.508 0.634 5.370 1.00 0.00 O ATOM 1368 CB PRO A 87 -11.037 0.052 8.376 1.00 0.00 C ATOM 1369 CG PRO A 87 -9.935 -0.917 8.793 1.00 0.00 C ATOM 1370 CD PRO A 87 -10.511 -2.292 8.450 1.00 0.00 C ATOM 0 HA PRO A 87 -12.888 -0.547 7.429 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -10.618 0.991 8.014 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -11.685 0.296 9.218 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -9.008 -0.725 8.253 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -9.708 -0.832 9.856 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -9.719 -2.984 8.163 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -11.018 -2.727 9.312 1.00 0.00 H new ATOM 1378 N LEU A 88 -10.490 -0.343 5.206 1.00 0.00 N ATOM 1379 CA LEU A 88 -10.184 0.100 3.836 1.00 0.00 C ATOM 1380 C LEU A 88 -11.213 -0.413 2.812 1.00 0.00 C ATOM 1381 O LEU A 88 -11.720 0.369 2.005 1.00 0.00 O ATOM 1382 CB LEU A 88 -8.761 -0.333 3.464 1.00 0.00 C ATOM 1383 CG LEU A 88 -7.654 0.364 4.270 1.00 0.00 C ATOM 1384 CD1 LEU A 88 -6.339 -0.344 3.972 1.00 0.00 C ATOM 1385 CD2 LEU A 88 -7.511 1.840 3.892 1.00 0.00 C ATOM 0 H LEU A 88 -9.743 -0.902 5.618 1.00 0.00 H new ATOM 0 HA LEU A 88 -10.246 1.188 3.809 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -8.673 -1.410 3.606 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -8.600 -0.137 2.404 1.00 0.00 H new ATOM 0 HG LEU A 88 -7.913 0.314 5.328 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -5.534 0.132 4.533 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -6.415 -1.391 4.265 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -6.125 -0.280 2.905 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -6.717 2.293 4.486 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -7.264 1.922 2.834 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -8.450 2.358 4.086 1.00 0.00 H new ATOM 1397 N LYS A 89 -11.535 -1.714 2.843 1.00 0.00 N ATOM 1398 CA LYS A 89 -12.537 -2.357 1.968 1.00 0.00 C ATOM 1399 C LYS A 89 -13.936 -1.790 2.200 1.00 0.00 C ATOM 1400 O LYS A 89 -14.650 -1.459 1.253 1.00 0.00 O ATOM 1401 CB LYS A 89 -12.587 -3.867 2.237 1.00 0.00 C ATOM 1402 CG LYS A 89 -11.311 -4.580 1.795 1.00 0.00 C ATOM 1403 CD LYS A 89 -11.299 -6.011 2.336 1.00 0.00 C ATOM 1404 CE LYS A 89 -9.893 -6.618 2.218 1.00 0.00 C ATOM 1405 NZ LYS A 89 -9.467 -6.821 0.809 1.00 0.00 N ATOM 0 H LYS A 89 -11.097 -2.368 3.492 1.00 0.00 H new ATOM 0 HA LYS A 89 -12.235 -2.158 0.940 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -12.745 -4.038 3.302 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -13.441 -4.298 1.714 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -11.250 -4.593 0.707 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -10.437 -4.038 2.157 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -11.617 -6.015 3.379 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -12.013 -6.621 1.783 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -9.178 -5.965 2.718 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -9.871 -7.574 2.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -8.454 -7.054 0.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -10.013 -7.601 0.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -9.636 -5.950 0.266 1.00 0.00 H new ATOM 1731 N GLY B 114 9.642 7.602 11.995 1.00 0.00 N ATOM 1732 CA GLY B 114 9.314 8.160 10.672 1.00 0.00 C ATOM 1733 C GLY B 114 8.867 7.042 9.733 1.00 0.00 C ATOM 1734 O GLY B 114 7.709 6.624 9.768 1.00 0.00 O ATOM 0 HA2 GLY B 114 8.524 8.904 10.767 1.00 0.00 H new ATOM 0 HA3 GLY B 114 10.183 8.670 10.257 1.00 0.00 H new ATOM 1738 N LEU B 115 9.809 6.521 8.944 1.00 0.00 N ATOM 1739 CA LEU B 115 9.651 5.371 8.046 1.00 0.00 C ATOM 1740 C LEU B 115 10.752 4.338 8.375 1.00 0.00 C ATOM 1741 O LEU B 115 11.922 4.719 8.501 1.00 0.00 O ATOM 1742 CB LEU B 115 9.700 5.804 6.570 1.00 0.00 C ATOM 1743 CG LEU B 115 8.461 6.576 6.077 1.00 0.00 C ATOM 1744 CD1 LEU B 115 8.688 6.998 4.625 1.00 0.00 C ATOM 1745 CD2 LEU B 115 7.184 5.732 6.109 1.00 0.00 C ATOM 0 H LEU B 115 10.752 6.909 8.911 1.00 0.00 H new ATOM 0 HA LEU B 115 8.673 4.916 8.200 1.00 0.00 H new ATOM 0 HB2 LEU B 115 10.582 6.427 6.419 1.00 0.00 H new ATOM 0 HB3 LEU B 115 9.827 4.916 5.950 1.00 0.00 H new ATOM 0 HG LEU B 115 8.331 7.428 6.745 1.00 0.00 H new ATOM 0 HD11 LEU B 115 7.817 7.546 4.265 1.00 0.00 H new ATOM 0 HD12 LEU B 115 9.569 7.637 4.565 1.00 0.00 H new ATOM 0 HD13 LEU B 115 8.840 6.112 4.008 1.00 0.00 H new ATOM 0 HD21 LEU B 115 6.345 6.328 5.751 1.00 0.00 H new ATOM 0 HD22 LEU B 115 7.309 4.859 5.468 1.00 0.00 H new ATOM 0 HD23 LEU B 115 6.988 5.407 7.131 1.00 0.00 H new ATOM 1757 N PRO B 116 10.407 3.049 8.554 1.00 0.00 N ATOM 1758 CA PRO B 116 11.346 1.998 8.948 1.00 0.00 C ATOM 1759 C PRO B 116 12.094 1.376 7.758 1.00 0.00 C ATOM 1760 O PRO B 116 11.944 1.785 6.603 1.00 0.00 O ATOM 1761 CB PRO B 116 10.432 0.955 9.610 1.00 0.00 C ATOM 1762 CG PRO B 116 9.213 0.994 8.693 1.00 0.00 C ATOM 1763 CD PRO B 116 9.062 2.491 8.435 1.00 0.00 C ATOM 0 HA PRO B 116 12.136 2.383 9.593 1.00 0.00 H new ATOM 0 HB2 PRO B 116 10.891 -0.033 9.640 1.00 0.00 H new ATOM 0 HB3 PRO B 116 10.182 1.222 10.637 1.00 0.00 H new ATOM 0 HG2 PRO B 116 9.377 0.435 7.772 1.00 0.00 H new ATOM 0 HG3 PRO B 116 8.329 0.570 9.170 1.00 0.00 H new ATOM 0 HD2 PRO B 116 8.647 2.678 7.445 1.00 0.00 H new ATOM 0 HD3 PRO B 116 8.384 2.946 9.156 1.00 0.00 H new ATOM 1771 N GLN B 117 12.844 0.310 8.055 1.00 0.00 N ATOM 1772 CA GLN B 117 13.511 -0.575 7.101 1.00 0.00 C ATOM 1773 C GLN B 117 13.040 -2.013 7.364 1.00 0.00 C ATOM 1774 O GLN B 117 13.810 -2.915 7.703 1.00 0.00 O ATOM 1775 CB GLN B 117 15.039 -0.397 7.129 1.00 0.00 C ATOM 1776 CG GLN B 117 15.458 0.830 6.312 1.00 0.00 C ATOM 1777 CD GLN B 117 16.970 1.044 6.324 1.00 0.00 C ATOM 1778 OE1 GLN B 117 17.678 0.742 5.371 1.00 0.00 O ATOM 1779 NE2 GLN B 117 17.531 1.573 7.392 1.00 0.00 N ATOM 0 H GLN B 117 13.010 0.028 9.021 1.00 0.00 H new ATOM 0 HA GLN B 117 13.232 -0.314 6.080 1.00 0.00 H new ATOM 0 HB2 GLN B 117 15.378 -0.287 8.159 1.00 0.00 H new ATOM 0 HB3 GLN B 117 15.521 -1.289 6.728 1.00 0.00 H new ATOM 0 HG2 GLN B 117 15.118 0.712 5.283 1.00 0.00 H new ATOM 0 HG3 GLN B 117 14.964 1.716 6.712 1.00 0.00 H new ATOM 0 HE21 GLN B 117 16.957 1.831 8.195 1.00 0.00 H new ATOM 0 HE22 GLN B 117 18.539 1.725 7.416 1.00 0.00 H new ATOM 1788 N LEU B 118 11.731 -2.208 7.174 1.00 0.00 N ATOM 1789 CA LEU B 118 11.059 -3.504 7.250 1.00 0.00 C ATOM 1790 C LEU B 118 11.490 -4.378 6.055 1.00 0.00 C ATOM 1791 O LEU B 118 12.142 -3.917 5.115 1.00 0.00 O ATOM 1792 CB LEU B 118 9.531 -3.295 7.261 1.00 0.00 C ATOM 1793 CG LEU B 118 8.948 -2.733 8.567 1.00 0.00 C ATOM 1794 CD1 LEU B 118 7.477 -2.391 8.348 1.00 0.00 C ATOM 1795 CD2 LEU B 118 9.021 -3.725 9.726 1.00 0.00 C ATOM 0 H LEU B 118 11.093 -1.443 6.956 1.00 0.00 H new ATOM 0 HA LEU B 118 11.341 -4.015 8.170 1.00 0.00 H new ATOM 0 HB2 LEU B 118 9.269 -2.620 6.447 1.00 0.00 H new ATOM 0 HB3 LEU B 118 9.050 -4.250 7.051 1.00 0.00 H new ATOM 0 HG LEU B 118 9.542 -1.857 8.827 1.00 0.00 H new ATOM 0 HD11 LEU B 118 7.055 -1.991 9.270 1.00 0.00 H new ATOM 0 HD12 LEU B 118 7.390 -1.646 7.557 1.00 0.00 H new ATOM 0 HD13 LEU B 118 6.933 -3.291 8.060 1.00 0.00 H new ATOM 0 HD21 LEU B 118 8.594 -3.271 10.621 1.00 0.00 H new ATOM 0 HD22 LEU B 118 8.459 -4.624 9.472 1.00 0.00 H new ATOM 0 HD23 LEU B 118 10.062 -3.989 9.914 1.00 0.00 H new ATOM 1807 N THR B 119 11.132 -5.658 6.093 1.00 0.00 N ATOM 1808 CA THR B 119 11.464 -6.638 5.049 1.00 0.00 C ATOM 1809 C THR B 119 10.293 -7.579 4.783 1.00 0.00 C ATOM 1810 O THR B 119 9.323 -7.617 5.547 1.00 0.00 O ATOM 1811 CB THR B 119 12.712 -7.459 5.434 1.00 0.00 C ATOM 1812 OG1 THR B 119 12.509 -8.150 6.651 1.00 0.00 O ATOM 1813 CG2 THR B 119 13.970 -6.593 5.560 1.00 0.00 C ATOM 0 H THR B 119 10.593 -6.056 6.862 1.00 0.00 H new ATOM 0 HA THR B 119 11.678 -6.079 4.138 1.00 0.00 H new ATOM 0 HB THR B 119 12.866 -8.171 4.623 1.00 0.00 H new ATOM 0 HG1 THR B 119 13.313 -8.664 6.873 1.00 0.00 H new ATOM 0 HG21 THR B 119 14.818 -7.221 5.833 1.00 0.00 H new ATOM 0 HG22 THR B 119 14.172 -6.104 4.607 1.00 0.00 H new ATOM 0 HG23 THR B 119 13.816 -5.837 6.330 1.00 0.00 H new ATOM 1821 N SER B 120 10.401 -8.373 3.714 1.00 0.00 N ATOM 1822 CA SER B 120 9.438 -9.416 3.344 1.00 0.00 C ATOM 1823 C SER B 120 9.189 -10.345 4.537 1.00 0.00 C ATOM 1824 O SER B 120 8.040 -10.546 4.924 1.00 0.00 O ATOM 1825 CB SER B 120 9.942 -10.193 2.121 1.00 0.00 C ATOM 1826 OG SER B 120 11.300 -10.577 2.300 1.00 0.00 O ATOM 0 H SER B 120 11.183 -8.307 3.063 1.00 0.00 H new ATOM 0 HA SER B 120 8.489 -8.952 3.075 1.00 0.00 H new ATOM 0 HB2 SER B 120 9.325 -11.078 1.965 1.00 0.00 H new ATOM 0 HB3 SER B 120 9.847 -9.577 1.227 1.00 0.00 H new ATOM 0 HG SER B 120 11.606 -11.073 1.512 1.00 0.00 H new ATOM 1832 N TYR B 121 10.263 -10.848 5.160 1.00 0.00 N ATOM 1833 CA TYR B 121 10.236 -11.681 6.365 1.00 0.00 C ATOM 1834 C TYR B 121 9.420 -11.033 7.498 1.00 0.00 C ATOM 1835 O TYR B 121 8.411 -11.602 7.912 1.00 0.00 O ATOM 1836 CB TYR B 121 11.670 -12.001 6.819 1.00 0.00 C ATOM 1837 CG TYR B 121 11.717 -12.899 8.043 1.00 0.00 C ATOM 1838 CD1 TYR B 121 11.708 -12.337 9.336 1.00 0.00 C ATOM 1839 CD2 TYR B 121 11.709 -14.299 7.888 1.00 0.00 C ATOM 1840 CE1 TYR B 121 11.660 -13.170 10.471 1.00 0.00 C ATOM 1841 CE2 TYR B 121 11.686 -15.138 9.019 1.00 0.00 C ATOM 1842 CZ TYR B 121 11.656 -14.575 10.315 1.00 0.00 C ATOM 1843 OH TYR B 121 11.608 -15.376 11.415 1.00 0.00 O ATOM 0 H TYR B 121 11.211 -10.678 4.823 1.00 0.00 H new ATOM 0 HA TYR B 121 9.733 -12.615 6.115 1.00 0.00 H new ATOM 0 HB2 TYR B 121 12.206 -12.482 6.001 1.00 0.00 H new ATOM 0 HB3 TYR B 121 12.193 -11.070 7.038 1.00 0.00 H new ATOM 0 HD1 TYR B 121 11.738 -11.264 9.457 1.00 0.00 H new ATOM 0 HD2 TYR B 121 11.721 -14.731 6.898 1.00 0.00 H new ATOM 0 HE1 TYR B 121 11.626 -12.736 11.459 1.00 0.00 H new ATOM 0 HE2 TYR B 121 11.691 -16.211 8.896 1.00 0.00 H new ATOM 0 HH TYR B 121 11.611 -16.315 11.136 1.00 0.00 H new ATOM 1853 N ASP B 122 9.829 -9.856 7.991 1.00 0.00 N ATOM 1854 CA ASP B 122 9.141 -9.113 9.065 1.00 0.00 C ATOM 1855 C ASP B 122 7.640 -8.951 8.781 1.00 0.00 C ATOM 1856 O ASP B 122 6.800 -9.286 9.619 1.00 0.00 O ATOM 1857 CB ASP B 122 9.785 -7.729 9.275 1.00 0.00 C ATOM 1858 CG ASP B 122 10.921 -7.726 10.310 1.00 0.00 C ATOM 1859 OD1 ASP B 122 11.847 -8.566 10.227 1.00 0.00 O ATOM 1860 OD2 ASP B 122 10.889 -6.857 11.215 1.00 0.00 O ATOM 0 H ASP B 122 10.664 -9.381 7.650 1.00 0.00 H new ATOM 0 HA ASP B 122 9.250 -9.701 9.977 1.00 0.00 H new ATOM 0 HB2 ASP B 122 10.173 -7.370 8.322 1.00 0.00 H new ATOM 0 HB3 ASP B 122 9.016 -7.024 9.591 1.00 0.00 H new ATOM 1865 N CYS B 123 7.304 -8.435 7.599 1.00 0.00 N ATOM 1866 CA CYS B 123 5.931 -8.200 7.164 1.00 0.00 C ATOM 1867 C CYS B 123 5.103 -9.503 7.096 1.00 0.00 C ATOM 1868 O CYS B 123 4.020 -9.559 7.677 1.00 0.00 O ATOM 1869 CB CYS B 123 5.955 -7.415 5.848 1.00 0.00 C ATOM 1870 SG CYS B 123 6.724 -5.786 6.073 1.00 0.00 S ATOM 0 H CYS B 123 7.997 -8.163 6.902 1.00 0.00 H new ATOM 0 HA CYS B 123 5.413 -7.595 7.908 1.00 0.00 H new ATOM 0 HB2 CYS B 123 6.505 -7.979 5.094 1.00 0.00 H new ATOM 0 HB3 CYS B 123 4.938 -7.292 5.476 1.00 0.00 H new ATOM 0 HG CYS B 123 8.014 -5.895 5.955 1.00 0.00 H new ATOM 1876 N GLU B 124 5.602 -10.557 6.439 1.00 0.00 N ATOM 1877 CA GLU B 124 4.955 -11.882 6.351 1.00 0.00 C ATOM 1878 C GLU B 124 4.718 -12.498 7.739 1.00 0.00 C ATOM 1879 O GLU B 124 3.644 -13.034 8.006 1.00 0.00 O ATOM 1880 CB GLU B 124 5.784 -12.850 5.484 1.00 0.00 C ATOM 1881 CG GLU B 124 5.653 -12.555 3.984 1.00 0.00 C ATOM 1882 CD GLU B 124 6.656 -13.359 3.140 1.00 0.00 C ATOM 1883 OE1 GLU B 124 6.671 -14.611 3.217 1.00 0.00 O ATOM 1884 OE2 GLU B 124 7.425 -12.755 2.355 1.00 0.00 O ATOM 0 H GLU B 124 6.490 -10.516 5.939 1.00 0.00 H new ATOM 0 HA GLU B 124 3.985 -11.726 5.879 1.00 0.00 H new ATOM 0 HB2 GLU B 124 6.833 -12.784 5.774 1.00 0.00 H new ATOM 0 HB3 GLU B 124 5.463 -13.873 5.679 1.00 0.00 H new ATOM 0 HG2 GLU B 124 4.639 -12.787 3.658 1.00 0.00 H new ATOM 0 HG3 GLU B 124 5.808 -11.490 3.811 1.00 0.00 H new ATOM 1891 N VAL B 125 5.709 -12.417 8.632 1.00 0.00 N ATOM 1892 CA VAL B 125 5.654 -12.900 10.023 1.00 0.00 C ATOM 1893 C VAL B 125 4.537 -12.210 10.815 1.00 0.00 C ATOM 1894 O VAL B 125 3.759 -12.874 11.501 1.00 0.00 O ATOM 1895 CB VAL B 125 7.039 -12.717 10.686 1.00 0.00 C ATOM 1896 CG1 VAL B 125 7.030 -12.654 12.218 1.00 0.00 C ATOM 1897 CG2 VAL B 125 7.954 -13.870 10.262 1.00 0.00 C ATOM 0 H VAL B 125 6.609 -11.997 8.400 1.00 0.00 H new ATOM 0 HA VAL B 125 5.412 -13.963 10.022 1.00 0.00 H new ATOM 0 HB VAL B 125 7.395 -11.746 10.342 1.00 0.00 H new ATOM 0 HG11 VAL B 125 8.049 -12.525 12.583 1.00 0.00 H new ATOM 0 HG12 VAL B 125 6.418 -11.813 12.544 1.00 0.00 H new ATOM 0 HG13 VAL B 125 6.616 -13.580 12.618 1.00 0.00 H new ATOM 0 HG21 VAL B 125 8.933 -13.747 10.726 1.00 0.00 H new ATOM 0 HG22 VAL B 125 7.518 -14.817 10.580 1.00 0.00 H new ATOM 0 HG23 VAL B 125 8.064 -13.868 9.178 1.00 0.00 H new ATOM 1907 N ASN B 126 4.466 -10.878 10.750 1.00 0.00 N ATOM 1908 CA ASN B 126 3.489 -10.066 11.480 1.00 0.00 C ATOM 1909 C ASN B 126 2.064 -10.122 10.895 1.00 0.00 C ATOM 1910 O ASN B 126 1.100 -10.165 11.663 1.00 0.00 O ATOM 1911 CB ASN B 126 4.030 -8.633 11.601 1.00 0.00 C ATOM 1912 CG ASN B 126 5.103 -8.552 12.671 1.00 0.00 C ATOM 1913 OD1 ASN B 126 4.831 -8.271 13.824 1.00 0.00 O ATOM 1914 ND2 ASN B 126 6.341 -8.852 12.362 1.00 0.00 N ATOM 0 H ASN B 126 5.100 -10.322 10.176 1.00 0.00 H new ATOM 0 HA ASN B 126 3.371 -10.493 12.476 1.00 0.00 H new ATOM 0 HB2 ASN B 126 4.440 -8.312 10.643 1.00 0.00 H new ATOM 0 HB3 ASN B 126 3.215 -7.951 11.844 1.00 0.00 H new ATOM 0 HD21 ASN B 126 7.062 -8.848 13.083 1.00 0.00 H new ATOM 0 HD22 ASN B 126 6.583 -9.089 11.400 1.00 0.00 H new ATOM 1921 N ALA B 127 1.913 -10.124 9.567 1.00 0.00 N ATOM 1922 CA ALA B 127 0.624 -10.176 8.870 1.00 0.00 C ATOM 1923 C ALA B 127 0.638 -11.191 7.696 1.00 0.00 C ATOM 1924 O ALA B 127 0.734 -10.788 6.532 1.00 0.00 O ATOM 1925 CB ALA B 127 0.262 -8.744 8.438 1.00 0.00 C ATOM 0 H ALA B 127 2.708 -10.088 8.928 1.00 0.00 H new ATOM 0 HA ALA B 127 -0.153 -10.547 9.538 1.00 0.00 H new ATOM 0 HB1 ALA B 127 -0.695 -8.752 7.916 1.00 0.00 H new ATOM 0 HB2 ALA B 127 0.189 -8.106 9.319 1.00 0.00 H new ATOM 0 HB3 ALA B 127 1.035 -8.358 7.773 1.00 0.00 H new ATOM 1931 N PRO B 128 0.530 -12.509 7.970 1.00 0.00 N ATOM 1932 CA PRO B 128 0.542 -13.564 6.949 1.00 0.00 C ATOM 1933 C PRO B 128 -0.519 -13.389 5.850 1.00 0.00 C ATOM 1934 O PRO B 128 -1.718 -13.276 6.124 1.00 0.00 O ATOM 1935 CB PRO B 128 0.342 -14.886 7.705 1.00 0.00 C ATOM 1936 CG PRO B 128 0.794 -14.574 9.128 1.00 0.00 C ATOM 1937 CD PRO B 128 0.421 -13.103 9.297 1.00 0.00 C ATOM 0 HA PRO B 128 1.488 -13.532 6.409 1.00 0.00 H new ATOM 0 HB2 PRO B 128 -0.700 -15.206 7.679 1.00 0.00 H new ATOM 0 HB3 PRO B 128 0.934 -15.689 7.266 1.00 0.00 H new ATOM 0 HG2 PRO B 128 0.288 -15.204 9.859 1.00 0.00 H new ATOM 0 HG3 PRO B 128 1.864 -14.735 9.255 1.00 0.00 H new ATOM 0 HD2 PRO B 128 -0.590 -12.999 9.690 1.00 0.00 H new ATOM 0 HD3 PRO B 128 1.089 -12.609 10.002 1.00 0.00 H new ATOM 1945 N ILE B 129 -0.070 -13.385 4.593 1.00 0.00 N ATOM 1946 CA ILE B 129 -0.913 -13.267 3.389 1.00 0.00 C ATOM 1947 C ILE B 129 -1.863 -14.466 3.336 1.00 0.00 C ATOM 1948 O ILE B 129 -1.412 -15.614 3.387 1.00 0.00 O ATOM 1949 CB ILE B 129 -0.032 -13.199 2.122 1.00 0.00 C ATOM 1950 CG1 ILE B 129 0.901 -11.973 2.157 1.00 0.00 C ATOM 1951 CG2 ILE B 129 -0.885 -13.144 0.843 1.00 0.00 C ATOM 1952 CD1 ILE B 129 2.169 -12.177 1.332 1.00 0.00 C ATOM 0 H ILE B 129 0.922 -13.466 4.372 1.00 0.00 H new ATOM 0 HA ILE B 129 -1.498 -12.348 3.432 1.00 0.00 H new ATOM 0 HB ILE B 129 0.568 -14.109 2.109 1.00 0.00 H new ATOM 0 HG12 ILE B 129 0.364 -11.102 1.782 1.00 0.00 H new ATOM 0 HG13 ILE B 129 1.175 -11.759 3.190 1.00 0.00 H new ATOM 0 HG21 ILE B 129 -0.232 -13.097 -0.028 1.00 0.00 H new ATOM 0 HG22 ILE B 129 -1.507 -14.037 0.782 1.00 0.00 H new ATOM 0 HG23 ILE B 129 -1.521 -12.259 0.868 1.00 0.00 H new ATOM 0 HD11 ILE B 129 2.790 -11.283 1.392 1.00 0.00 H new ATOM 0 HD12 ILE B 129 2.723 -13.031 1.722 1.00 0.00 H new ATOM 0 HD13 ILE B 129 1.900 -12.363 0.292 1.00 0.00 H new ATOM 1964 N GLN B 130 -3.170 -14.211 3.266 1.00 0.00 N ATOM 1965 CA GLN B 130 -4.199 -15.257 3.275 1.00 0.00 C ATOM 1966 C GLN B 130 -4.051 -16.245 2.105 1.00 0.00 C ATOM 1967 O GLN B 130 -3.745 -15.866 0.971 1.00 0.00 O ATOM 1968 CB GLN B 130 -5.601 -14.634 3.311 1.00 0.00 C ATOM 1969 CG GLN B 130 -5.821 -13.698 4.509 1.00 0.00 C ATOM 1970 CD GLN B 130 -5.653 -14.373 5.869 1.00 0.00 C ATOM 1971 OE1 GLN B 130 -6.573 -14.987 6.399 1.00 0.00 O ATOM 1972 NE2 GLN B 130 -4.496 -14.310 6.499 1.00 0.00 N ATOM 0 H GLN B 130 -3.549 -13.266 3.201 1.00 0.00 H new ATOM 0 HA GLN B 130 -4.057 -15.840 4.185 1.00 0.00 H new ATOM 0 HB2 GLN B 130 -5.767 -14.077 2.389 1.00 0.00 H new ATOM 0 HB3 GLN B 130 -6.344 -15.431 3.340 1.00 0.00 H new ATOM 0 HG2 GLN B 130 -5.120 -12.866 4.440 1.00 0.00 H new ATOM 0 HG3 GLN B 130 -6.824 -13.276 4.447 1.00 0.00 H new ATOM 0 HE21 GLN B 130 -3.714 -13.806 6.081 1.00 0.00 H new ATOM 0 HE22 GLN B 130 -4.383 -14.766 7.405 1.00 0.00 H new ATOM 2037 N LEU B 135 4.304 -12.093 -3.352 1.00 0.00 N ATOM 2038 CA LEU B 135 4.913 -10.774 -3.529 1.00 0.00 C ATOM 2039 C LEU B 135 4.373 -10.181 -4.840 1.00 0.00 C ATOM 2040 O LEU B 135 5.027 -10.220 -5.887 1.00 0.00 O ATOM 2041 CB LEU B 135 6.454 -10.813 -3.500 1.00 0.00 C ATOM 2042 CG LEU B 135 7.125 -11.060 -2.135 1.00 0.00 C ATOM 2043 CD1 LEU B 135 8.632 -10.911 -2.336 1.00 0.00 C ATOM 2044 CD2 LEU B 135 6.753 -10.066 -1.031 1.00 0.00 C ATOM 0 HA LEU B 135 4.639 -10.137 -2.688 1.00 0.00 H new ATOM 0 HB2 LEU B 135 6.785 -11.593 -4.186 1.00 0.00 H new ATOM 0 HB3 LEU B 135 6.824 -9.865 -3.892 1.00 0.00 H new ATOM 0 HG LEU B 135 6.790 -12.046 -1.813 1.00 0.00 H new ATOM 0 HD11 LEU B 135 9.144 -11.079 -1.388 1.00 0.00 H new ATOM 0 HD12 LEU B 135 8.975 -11.641 -3.069 1.00 0.00 H new ATOM 0 HD13 LEU B 135 8.854 -9.906 -2.695 1.00 0.00 H new ATOM 0 HD21 LEU B 135 7.278 -10.329 -0.113 1.00 0.00 H new ATOM 0 HD22 LEU B 135 7.038 -9.059 -1.337 1.00 0.00 H new ATOM 0 HD23 LEU B 135 5.678 -10.102 -0.857 1.00 0.00 H new ATOM 2056 N LEU B 136 3.153 -9.644 -4.754 1.00 0.00 N ATOM 2057 CA LEU B 136 2.383 -8.974 -5.807 1.00 0.00 C ATOM 2058 C LEU B 136 3.289 -7.968 -6.549 1.00 0.00 C ATOM 2059 O LEU B 136 4.046 -7.228 -5.919 1.00 0.00 O ATOM 2060 CB LEU B 136 1.165 -8.313 -5.120 1.00 0.00 C ATOM 2061 CG LEU B 136 -0.067 -7.965 -5.972 1.00 0.00 C ATOM 2062 CD1 LEU B 136 0.233 -7.234 -7.269 1.00 0.00 C ATOM 2063 CD2 LEU B 136 -0.906 -9.183 -6.351 1.00 0.00 C ATOM 0 H LEU B 136 2.636 -9.668 -3.875 1.00 0.00 H new ATOM 0 HA LEU B 136 2.021 -9.667 -6.566 1.00 0.00 H new ATOM 0 HB2 LEU B 136 0.837 -8.977 -4.320 1.00 0.00 H new ATOM 0 HB3 LEU B 136 1.511 -7.393 -4.649 1.00 0.00 H new ATOM 0 HG LEU B 136 -0.615 -7.302 -5.303 1.00 0.00 H new ATOM 0 HD11 LEU B 136 -0.699 -7.034 -7.798 1.00 0.00 H new ATOM 0 HD12 LEU B 136 0.735 -6.292 -7.048 1.00 0.00 H new ATOM 0 HD13 LEU B 136 0.879 -7.851 -7.894 1.00 0.00 H new ATOM 0 HD21 LEU B 136 -1.759 -8.865 -6.951 1.00 0.00 H new ATOM 0 HD22 LEU B 136 -0.297 -9.880 -6.927 1.00 0.00 H new ATOM 0 HD23 LEU B 136 -1.263 -9.675 -5.446 1.00 0.00 H new ATOM 2075 N GLN B 137 3.262 -7.981 -7.885 1.00 0.00 N ATOM 2076 CA GLN B 137 4.153 -7.190 -8.739 1.00 0.00 C ATOM 2077 C GLN B 137 3.488 -6.616 -10.005 1.00 0.00 C ATOM 2078 O GLN B 137 2.409 -7.044 -10.417 1.00 0.00 O ATOM 2079 CB GLN B 137 5.375 -8.064 -9.089 1.00 0.00 C ATOM 2080 CG GLN B 137 5.136 -9.180 -10.130 1.00 0.00 C ATOM 2081 CD GLN B 137 4.116 -10.266 -9.768 1.00 0.00 C ATOM 2082 OE1 GLN B 137 3.266 -10.635 -10.569 1.00 0.00 O ATOM 2083 NE2 GLN B 137 4.132 -10.835 -8.580 1.00 0.00 N ATOM 0 H GLN B 137 2.605 -8.555 -8.415 1.00 0.00 H new ATOM 0 HA GLN B 137 4.451 -6.305 -8.177 1.00 0.00 H new ATOM 0 HB2 GLN B 137 6.167 -7.413 -9.459 1.00 0.00 H new ATOM 0 HB3 GLN B 137 5.742 -8.524 -8.171 1.00 0.00 H new ATOM 0 HG2 GLN B 137 4.815 -8.712 -11.061 1.00 0.00 H new ATOM 0 HG3 GLN B 137 6.091 -9.666 -10.330 1.00 0.00 H new ATOM 0 HE21 GLN B 137 4.826 -10.552 -7.888 1.00 0.00 H new ATOM 0 HE22 GLN B 137 3.450 -11.559 -8.352 1.00 0.00 H new ATOM 2092 N GLY B 138 4.174 -5.660 -10.638 1.00 0.00 N ATOM 2093 CA GLY B 138 3.787 -4.988 -11.885 1.00 0.00 C ATOM 2094 C GLY B 138 2.403 -4.341 -11.900 1.00 0.00 C ATOM 2095 O GLY B 138 1.962 -3.789 -10.897 1.00 0.00 O ATOM 0 H GLY B 138 5.063 -5.314 -10.276 1.00 0.00 H new ATOM 0 HA2 GLY B 138 4.527 -4.219 -12.104 1.00 0.00 H new ATOM 0 HA3 GLY B 138 3.834 -5.715 -12.695 1.00 0.00 H new ATOM 2099 N GLU B 139 1.725 -4.353 -13.049 1.00 0.00 N ATOM 2100 CA GLU B 139 0.414 -3.705 -13.246 1.00 0.00 C ATOM 2101 C GLU B 139 -0.653 -4.136 -12.221 1.00 0.00 C ATOM 2102 O GLU B 139 -1.480 -3.322 -11.805 1.00 0.00 O ATOM 2103 CB GLU B 139 -0.056 -3.937 -14.692 1.00 0.00 C ATOM 2104 CG GLU B 139 -1.267 -3.070 -15.066 1.00 0.00 C ATOM 2105 CD GLU B 139 -1.625 -3.236 -16.554 1.00 0.00 C ATOM 2106 OE1 GLU B 139 -2.421 -4.145 -16.894 1.00 0.00 O ATOM 2107 OE2 GLU B 139 -1.121 -2.454 -17.398 1.00 0.00 O ATOM 0 H GLU B 139 2.072 -4.820 -13.887 1.00 0.00 H new ATOM 0 HA GLU B 139 0.548 -2.637 -13.072 1.00 0.00 H new ATOM 0 HB2 GLU B 139 0.765 -3.722 -15.376 1.00 0.00 H new ATOM 0 HB3 GLU B 139 -0.312 -4.988 -14.822 1.00 0.00 H new ATOM 0 HG2 GLU B 139 -2.122 -3.347 -14.449 1.00 0.00 H new ATOM 0 HG3 GLU B 139 -1.048 -2.023 -14.855 1.00 0.00 H new ATOM 2114 N GLU B 140 -0.618 -5.396 -11.768 1.00 0.00 N ATOM 2115 CA GLU B 140 -1.518 -5.920 -10.731 1.00 0.00 C ATOM 2116 C GLU B 140 -1.435 -5.117 -9.421 1.00 0.00 C ATOM 2117 O GLU B 140 -2.429 -5.071 -8.692 1.00 0.00 O ATOM 2118 CB GLU B 140 -1.246 -7.410 -10.458 1.00 0.00 C ATOM 2119 CG GLU B 140 -1.669 -8.363 -11.584 1.00 0.00 C ATOM 2120 CD GLU B 140 -3.194 -8.459 -11.813 1.00 0.00 C ATOM 2121 OE1 GLU B 140 -3.993 -7.850 -11.057 1.00 0.00 O ATOM 2122 OE2 GLU B 140 -3.619 -9.147 -12.771 1.00 0.00 O ATOM 0 H GLU B 140 0.044 -6.089 -12.116 1.00 0.00 H new ATOM 0 HA GLU B 140 -2.531 -5.812 -11.119 1.00 0.00 H new ATOM 0 HB2 GLU B 140 -0.180 -7.541 -10.273 1.00 0.00 H new ATOM 0 HB3 GLU B 140 -1.766 -7.697 -9.544 1.00 0.00 H new ATOM 0 HG2 GLU B 140 -1.196 -8.040 -12.511 1.00 0.00 H new ATOM 0 HG3 GLU B 140 -1.286 -9.359 -11.361 1.00 0.00 H new ATOM 2129 N LEU B 141 -0.294 -4.475 -9.129 1.00 0.00 N ATOM 2130 CA LEU B 141 -0.116 -3.589 -7.971 1.00 0.00 C ATOM 2131 C LEU B 141 -1.091 -2.426 -8.097 1.00 0.00 C ATOM 2132 O LEU B 141 -1.962 -2.250 -7.257 1.00 0.00 O ATOM 2133 CB LEU B 141 1.306 -2.998 -7.908 1.00 0.00 C ATOM 2134 CG LEU B 141 2.423 -3.980 -7.543 1.00 0.00 C ATOM 2135 CD1 LEU B 141 3.766 -3.354 -7.905 1.00 0.00 C ATOM 2136 CD2 LEU B 141 2.407 -4.244 -6.042 1.00 0.00 C ATOM 0 H LEU B 141 0.546 -4.559 -9.702 1.00 0.00 H new ATOM 0 HA LEU B 141 -0.291 -4.179 -7.071 1.00 0.00 H new ATOM 0 HB2 LEU B 141 1.539 -2.557 -8.877 1.00 0.00 H new ATOM 0 HB3 LEU B 141 1.310 -2.187 -7.180 1.00 0.00 H new ATOM 0 HG LEU B 141 2.273 -4.914 -8.084 1.00 0.00 H new ATOM 0 HD11 LEU B 141 4.570 -4.044 -7.650 1.00 0.00 H new ATOM 0 HD12 LEU B 141 3.793 -3.145 -8.974 1.00 0.00 H new ATOM 0 HD13 LEU B 141 3.896 -2.425 -7.350 1.00 0.00 H new ATOM 0 HD21 LEU B 141 3.203 -4.943 -5.787 1.00 0.00 H new ATOM 0 HD22 LEU B 141 2.561 -3.307 -5.506 1.00 0.00 H new ATOM 0 HD23 LEU B 141 1.445 -4.671 -5.758 1.00 0.00 H new ATOM 2148 N LEU B 142 -0.936 -1.634 -9.160 1.00 0.00 N ATOM 2149 CA LEU B 142 -1.734 -0.444 -9.449 1.00 0.00 C ATOM 2150 C LEU B 142 -3.233 -0.780 -9.458 1.00 0.00 C ATOM 2151 O LEU B 142 -4.021 -0.059 -8.851 1.00 0.00 O ATOM 2152 CB LEU B 142 -1.235 0.233 -10.737 1.00 0.00 C ATOM 2153 CG LEU B 142 0.298 0.412 -10.850 1.00 0.00 C ATOM 2154 CD1 LEU B 142 0.601 1.382 -11.988 1.00 0.00 C ATOM 2155 CD2 LEU B 142 0.978 0.955 -9.587 1.00 0.00 C ATOM 0 H LEU B 142 -0.224 -1.812 -9.869 1.00 0.00 H new ATOM 0 HA LEU B 142 -1.604 0.288 -8.652 1.00 0.00 H new ATOM 0 HB2 LEU B 142 -1.578 -0.353 -11.590 1.00 0.00 H new ATOM 0 HB3 LEU B 142 -1.704 1.214 -10.815 1.00 0.00 H new ATOM 0 HG LEU B 142 0.697 -0.588 -11.022 1.00 0.00 H new ATOM 0 HD11 LEU B 142 1.679 1.515 -12.076 1.00 0.00 H new ATOM 0 HD12 LEU B 142 0.208 0.981 -12.922 1.00 0.00 H new ATOM 0 HD13 LEU B 142 0.133 2.344 -11.780 1.00 0.00 H new ATOM 0 HD21 LEU B 142 2.050 1.046 -9.762 1.00 0.00 H new ATOM 0 HD22 LEU B 142 0.565 1.934 -9.344 1.00 0.00 H new ATOM 0 HD23 LEU B 142 0.803 0.271 -8.757 1.00 0.00 H new ATOM 2167 N ARG B 143 -3.615 -1.910 -10.070 1.00 0.00 N ATOM 2168 CA ARG B 143 -4.981 -2.469 -10.060 1.00 0.00 C ATOM 2169 C ARG B 143 -5.477 -2.681 -8.622 1.00 0.00 C ATOM 2170 O ARG B 143 -6.561 -2.211 -8.273 1.00 0.00 O ATOM 2171 CB ARG B 143 -5.007 -3.778 -10.869 1.00 0.00 C ATOM 2172 CG ARG B 143 -4.866 -3.532 -12.382 1.00 0.00 C ATOM 2173 CD ARG B 143 -4.451 -4.777 -13.180 1.00 0.00 C ATOM 2174 NE ARG B 143 -5.189 -5.993 -12.796 1.00 0.00 N ATOM 2175 CZ ARG B 143 -6.349 -6.441 -13.231 1.00 0.00 C ATOM 2176 NH1 ARG B 143 -7.100 -5.770 -14.058 1.00 0.00 N ATOM 2177 NH2 ARG B 143 -6.769 -7.601 -12.823 1.00 0.00 N ATOM 0 H ARG B 143 -2.961 -2.482 -10.605 1.00 0.00 H new ATOM 0 HA ARG B 143 -5.662 -1.760 -10.530 1.00 0.00 H new ATOM 0 HB2 ARG B 143 -4.199 -4.427 -10.532 1.00 0.00 H new ATOM 0 HB3 ARG B 143 -5.941 -4.305 -10.674 1.00 0.00 H new ATOM 0 HG2 ARG B 143 -5.816 -3.164 -12.770 1.00 0.00 H new ATOM 0 HG3 ARG B 143 -4.129 -2.746 -12.545 1.00 0.00 H new ATOM 0 HD2 ARG B 143 -4.607 -4.587 -14.242 1.00 0.00 H new ATOM 0 HD3 ARG B 143 -3.384 -4.950 -13.040 1.00 0.00 H new ATOM 0 HE ARG B 143 -4.735 -6.573 -12.090 1.00 0.00 H new ATOM 0 HH11 ARG B 143 -6.797 -4.857 -14.396 1.00 0.00 H new ATOM 0 HH12 ARG B 143 -7.991 -6.158 -14.367 1.00 0.00 H new ATOM 0 HH21 ARG B 143 -6.203 -8.150 -12.176 1.00 0.00 H new ATOM 0 HH22 ARG B 143 -7.665 -7.963 -13.150 1.00 0.00 H new ATOM 2191 N ALA B 144 -4.680 -3.349 -7.784 1.00 0.00 N ATOM 2192 CA ALA B 144 -4.966 -3.568 -6.365 1.00 0.00 C ATOM 2193 C ALA B 144 -5.091 -2.237 -5.588 1.00 0.00 C ATOM 2194 O ALA B 144 -6.030 -2.082 -4.810 1.00 0.00 O ATOM 2195 CB ALA B 144 -3.908 -4.505 -5.763 1.00 0.00 C ATOM 0 H ALA B 144 -3.796 -3.762 -8.082 1.00 0.00 H new ATOM 0 HA ALA B 144 -5.938 -4.053 -6.274 1.00 0.00 H new ATOM 0 HB1 ALA B 144 -4.123 -4.666 -4.707 1.00 0.00 H new ATOM 0 HB2 ALA B 144 -3.928 -5.460 -6.287 1.00 0.00 H new ATOM 0 HB3 ALA B 144 -2.921 -4.054 -5.867 1.00 0.00 H new ATOM 2201 N LEU B 145 -4.181 -1.275 -5.795 1.00 0.00 N ATOM 2202 CA LEU B 145 -4.210 0.056 -5.166 1.00 0.00 C ATOM 2203 C LEU B 145 -5.458 0.866 -5.561 1.00 0.00 C ATOM 2204 O LEU B 145 -5.994 1.624 -4.753 1.00 0.00 O ATOM 2205 CB LEU B 145 -2.958 0.887 -5.533 1.00 0.00 C ATOM 2206 CG LEU B 145 -1.580 0.322 -5.153 1.00 0.00 C ATOM 2207 CD1 LEU B 145 -0.489 1.345 -5.434 1.00 0.00 C ATOM 2208 CD2 LEU B 145 -1.463 -0.061 -3.688 1.00 0.00 C ATOM 0 H LEU B 145 -3.384 -1.402 -6.419 1.00 0.00 H new ATOM 0 HA LEU B 145 -4.231 -0.130 -4.092 1.00 0.00 H new ATOM 0 HB2 LEU B 145 -2.968 1.047 -6.611 1.00 0.00 H new ATOM 0 HB3 LEU B 145 -3.058 1.866 -5.065 1.00 0.00 H new ATOM 0 HG LEU B 145 -1.463 -0.576 -5.760 1.00 0.00 H new ATOM 0 HD11 LEU B 145 0.480 0.928 -5.159 1.00 0.00 H new ATOM 0 HD12 LEU B 145 -0.489 1.595 -6.495 1.00 0.00 H new ATOM 0 HD13 LEU B 145 -0.676 2.246 -4.849 1.00 0.00 H new ATOM 0 HD21 LEU B 145 -0.464 -0.452 -3.493 1.00 0.00 H new ATOM 0 HD22 LEU B 145 -1.637 0.818 -3.067 1.00 0.00 H new ATOM 0 HD23 LEU B 145 -2.204 -0.824 -3.451 1.00 0.00 H new ATOM 2220 N ASP B 146 -5.892 0.781 -6.821 1.00 0.00 N ATOM 2221 CA ASP B 146 -7.005 1.571 -7.351 1.00 0.00 C ATOM 2222 C ASP B 146 -8.381 1.271 -6.735 1.00 0.00 C ATOM 2223 O ASP B 146 -9.204 2.180 -6.627 1.00 0.00 O ATOM 2224 CB ASP B 146 -7.062 1.488 -8.887 1.00 0.00 C ATOM 2225 CG ASP B 146 -7.616 2.790 -9.474 1.00 0.00 C ATOM 2226 OD1 ASP B 146 -7.084 3.859 -9.087 1.00 0.00 O ATOM 2227 OD2 ASP B 146 -8.530 2.776 -10.329 1.00 0.00 O ATOM 0 H ASP B 146 -5.475 0.154 -7.509 1.00 0.00 H new ATOM 0 HA ASP B 146 -6.782 2.593 -7.046 1.00 0.00 H new ATOM 0 HB2 ASP B 146 -6.065 1.298 -9.284 1.00 0.00 H new ATOM 0 HB3 ASP B 146 -7.690 0.650 -9.189 1.00 0.00 H new ATOM 2232 N GLN B 147 -8.641 0.024 -6.327 1.00 0.00 N ATOM 2233 CA GLN B 147 -9.925 -0.435 -5.764 1.00 0.00 C ATOM 2234 C GLN B 147 -10.432 0.331 -4.516 1.00 0.00 C ATOM 2235 O GLN B 147 -11.601 0.197 -4.150 1.00 0.00 O ATOM 2236 CB GLN B 147 -9.870 -1.959 -5.538 1.00 0.00 C ATOM 2237 CG GLN B 147 -9.309 -2.361 -4.165 1.00 0.00 C ATOM 2238 CD GLN B 147 -9.018 -3.856 -4.075 1.00 0.00 C ATOM 2239 OE1 GLN B 147 -9.908 -4.694 -4.005 1.00 0.00 O ATOM 2240 NE2 GLN B 147 -7.764 -4.248 -4.068 1.00 0.00 N ATOM 0 H GLN B 147 -7.945 -0.720 -6.379 1.00 0.00 H new ATOM 0 HA GLN B 147 -10.682 -0.195 -6.510 1.00 0.00 H new ATOM 0 HB2 GLN B 147 -10.874 -2.369 -5.644 1.00 0.00 H new ATOM 0 HB3 GLN B 147 -9.257 -2.411 -6.318 1.00 0.00 H new ATOM 0 HG2 GLN B 147 -8.393 -1.802 -3.971 1.00 0.00 H new ATOM 0 HG3 GLN B 147 -10.022 -2.084 -3.388 1.00 0.00 H new ATOM 0 HE21 GLN B 147 -7.014 -3.559 -4.126 1.00 0.00 H new ATOM 0 HE22 GLN B 147 -7.540 -5.241 -4.005 1.00 0.00 H new ATOM 2249 N VAL B 148 -9.572 1.121 -3.856 1.00 0.00 N ATOM 2250 CA VAL B 148 -9.875 1.942 -2.664 1.00 0.00 C ATOM 2251 C VAL B 148 -11.026 2.933 -2.906 1.00 0.00 C ATOM 2252 O VAL B 148 -11.851 3.141 -2.013 1.00 0.00 O ATOM 2253 CB VAL B 148 -8.620 2.712 -2.189 1.00 0.00 C ATOM 2254 CG1 VAL B 148 -8.862 3.563 -0.934 1.00 0.00 C ATOM 2255 CG2 VAL B 148 -7.455 1.785 -1.843 1.00 0.00 C ATOM 0 H VAL B 148 -8.599 1.212 -4.149 1.00 0.00 H new ATOM 0 HA VAL B 148 -10.192 1.247 -1.887 1.00 0.00 H new ATOM 0 HB VAL B 148 -8.381 3.348 -3.041 1.00 0.00 H new ATOM 0 HG11 VAL B 148 -7.940 4.075 -0.658 1.00 0.00 H new ATOM 0 HG12 VAL B 148 -9.639 4.300 -1.138 1.00 0.00 H new ATOM 0 HG13 VAL B 148 -9.179 2.919 -0.114 1.00 0.00 H new ATOM 0 HG21 VAL B 148 -6.602 2.379 -1.516 1.00 0.00 H new ATOM 0 HG22 VAL B 148 -7.754 1.108 -1.043 1.00 0.00 H new ATOM 0 HG23 VAL B 148 -7.177 1.205 -2.723 1.00 0.00 H new ATOM 2265 N ASN B 149 -11.077 3.558 -4.092 1.00 0.00 N ATOM 2266 CA ASN B 149 -12.106 4.548 -4.462 1.00 0.00 C ATOM 2267 C ASN B 149 -13.542 3.983 -4.463 1.00 0.00 C ATOM 2268 O ASN B 149 -14.464 4.700 -4.015 1.00 0.00 O ATOM 2269 CB ASN B 149 -11.746 5.264 -5.789 1.00 0.00 C ATOM 2270 CG ASN B 149 -11.531 4.415 -7.040 1.00 0.00 C ATOM 2271 OD1 ASN B 149 -10.720 4.761 -7.886 1.00 0.00 O ATOM 2272 ND2 ASN B 149 -12.210 3.310 -7.216 1.00 0.00 N ATOM 2273 OXT ASN B 149 -13.744 2.851 -4.956 1.00 0.00 O ATOM 0 H ASN B 149 -10.396 3.389 -4.833 1.00 0.00 H new ATOM 0 HA ASN B 149 -12.105 5.299 -3.672 1.00 0.00 H new ATOM 0 HB2 ASN B 149 -12.540 5.979 -6.006 1.00 0.00 H new ATOM 0 HB3 ASN B 149 -10.836 5.840 -5.619 1.00 0.00 H new ATOM 0 HD21 ASN B 149 -12.060 2.747 -8.053 1.00 0.00 H new ATOM 0 HD22 ASN B 149 -12.889 3.012 -6.516 1.00 0.00 H new