USER MOD reduce.3.24.130724 H: found=0, std=0, add=1086, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 1081 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 73 THR OG1 : rot 107:sc= 0.225 USER MOD Set 1.2: A 76 GLN : amide:sc= -1.14 K(o=-0.91,f=-4.9!) USER MOD Set 2.1: A 58 GLN : amide:sc= -0.13 K(o=-0.38,f=-1.2) USER MOD Set 2.2: A 62 HIS : no HD1:sc= -0.246 K(o=-0.38,f=-1.2) USER MOD Single : A 1 GLU N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 HIS : no HD1:sc= -0.265 K(o=-0.27,f=-1.4) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -0.117 K(o=-0.12,f=-2!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0.00435 USER MOD Single : A 19 ASN : amide:sc= 0 X(o=0,f=-0.061) USER MOD Single : A 20 SER OG : rot 179:sc= 1.8 USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.264 USER MOD Single : A 24 GLN : amide:sc= -0.071 K(o=-0.071,f=-1.8) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.553 USER MOD Single : A 29 THR OG1 : rot 130:sc= -2.43 USER MOD Single : A 32 THR OG1 : rot 44:sc=0.000727 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= 0.0227 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot 130:sc= 0 USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.97 USER MOD Single : A 46 LYS NZ :NH3+ -174:sc= -0.94 (180deg=-1.07) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot -62:sc= 1.79 USER MOD Single : A 63 HIS : no HD1:sc= -2.2 K(o=-2.2,f=-1.3) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 HIS : no HD1:sc=-0.00394 X(o=-0.0039,f=-0.3) USER MOD Single : A 80 HIS : no HE2:sc= -4.91! C(o=-4.9!,f=-5.9!) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 ASN : amide:sc= -0.0686 X(o=-0.069,f=0) USER MOD Single : A 101 ASN : amide:sc= -0.173 K(o=-0.17,f=-0.79) USER MOD Single : A 102 SER OG : rot 180:sc= -0.0195 USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 GLN : amide:sc= -0.189 X(o=-0.19,f=-0.029) USER MOD Single : A 111 SER OG : rot -160:sc= -0.515 USER MOD Single : A 112 THR OG1 : rot 156:sc= 0.0237 USER MOD Single : A 115 ASN : amide:sc= -0.316 K(o=-0.32,f=-2.9!) USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 THR OG1 : rot -160:sc= -1.65 USER MOD Single : A 124 MET CE :methyl -111:sc= -6.9! (180deg=-13.8!) USER MOD Single : A 127 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 128 TYR OH : rot 180:sc= -0.459 USER MOD Single : A 129 SER OG : rot 62:sc= 0.405! USER MOD Single : A 130 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 132 SER OG : rot -39:sc= -0.116! USER MOD Single : A 133 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 -15.043 3.166 13.312 1.00 15.82 N ATOM 2 CA GLU A 1 -15.160 4.557 13.833 1.00 14.80 C ATOM 3 C GLU A 1 -16.370 5.243 13.195 1.00 13.11 C ATOM 4 O GLU A 1 -17.314 5.608 13.867 1.00 12.97 O ATOM 5 CB GLU A 1 -13.890 5.341 13.489 1.00 14.62 C ATOM 6 CG GLU A 1 -13.762 6.543 14.427 1.00 14.43 C ATOM 7 CD GLU A 1 -13.503 7.807 13.606 1.00 13.33 C ATOM 8 OE1 GLU A 1 -14.467 8.450 13.225 1.00 12.47 O ATOM 9 OE2 GLU A 1 -12.344 8.111 13.373 1.00 13.44 O ATOM 0 H1 GLU A 1 -14.220 2.701 13.746 1.00 15.82 H new ATOM 0 H2 GLU A 1 -15.905 2.634 13.546 1.00 15.82 H new ATOM 0 H3 GLU A 1 -14.921 3.191 12.279 1.00 15.82 H new ATOM 0 HA GLU A 1 -15.288 4.528 14.915 1.00 14.80 H new ATOM 0 HB2 GLU A 1 -13.016 4.697 13.584 1.00 14.62 H new ATOM 0 HB3 GLU A 1 -13.927 5.677 12.453 1.00 14.62 H new ATOM 0 HG2 GLU A 1 -14.673 6.658 15.014 1.00 14.43 H new ATOM 0 HG3 GLU A 1 -12.947 6.382 15.133 1.00 14.43 H new ATOM 18 N ALA A 2 -16.352 5.421 11.902 1.00 11.92 N ATOM 19 CA ALA A 2 -17.503 6.085 11.227 1.00 10.25 C ATOM 20 C ALA A 2 -18.583 5.046 10.917 1.00 10.06 C ATOM 21 O ALA A 2 -18.572 3.949 11.439 1.00 10.80 O ATOM 22 CB ALA A 2 -17.031 6.732 9.923 1.00 9.63 C ATOM 0 H ALA A 2 -15.591 5.136 11.285 1.00 11.92 H new ATOM 0 HA ALA A 2 -17.913 6.852 11.885 1.00 10.25 H new ATOM 0 HB1 ALA A 2 -17.874 7.217 9.431 1.00 9.63 H new ATOM 0 HB2 ALA A 2 -16.263 7.474 10.142 1.00 9.63 H new ATOM 0 HB3 ALA A 2 -16.619 5.967 9.265 1.00 9.63 H new ATOM 28 N GLU A 3 -19.514 5.383 10.068 1.00 9.11 N ATOM 29 CA GLU A 3 -20.594 4.418 9.723 1.00 8.97 C ATOM 30 C GLU A 3 -21.087 4.693 8.299 1.00 7.72 C ATOM 31 O GLU A 3 -21.121 3.811 7.464 1.00 8.40 O ATOM 32 CB GLU A 3 -21.756 4.580 10.706 1.00 9.34 C ATOM 33 CG GLU A 3 -21.762 3.406 11.686 1.00 10.76 C ATOM 34 CD GLU A 3 -21.903 3.933 13.115 1.00 11.15 C ATOM 35 OE1 GLU A 3 -20.884 4.199 13.730 1.00 11.58 O ATOM 36 OE2 GLU A 3 -23.027 4.062 13.570 1.00 11.20 O ATOM 0 H GLU A 3 -19.573 6.286 9.598 1.00 9.11 H new ATOM 0 HA GLU A 3 -20.207 3.401 9.784 1.00 8.97 H new ATOM 0 HB2 GLU A 3 -21.659 5.520 11.249 1.00 9.34 H new ATOM 0 HB3 GLU A 3 -22.701 4.621 10.165 1.00 9.34 H new ATOM 0 HG2 GLU A 3 -22.585 2.729 11.454 1.00 10.76 H new ATOM 0 HG3 GLU A 3 -20.840 2.832 11.588 1.00 10.76 H new ATOM 43 N ALA A 4 -21.465 5.909 8.017 1.00 6.06 N ATOM 44 CA ALA A 4 -21.954 6.239 6.648 1.00 4.89 C ATOM 45 C ALA A 4 -21.626 7.700 6.330 1.00 3.00 C ATOM 46 O ALA A 4 -22.500 8.499 6.056 1.00 2.22 O ATOM 47 CB ALA A 4 -23.467 6.028 6.583 1.00 5.80 C ATOM 0 H ALA A 4 -21.457 6.689 8.675 1.00 6.06 H new ATOM 0 HA ALA A 4 -21.467 5.591 5.920 1.00 4.89 H new ATOM 0 HB1 ALA A 4 -23.825 6.269 5.582 1.00 5.80 H new ATOM 0 HB2 ALA A 4 -23.699 4.988 6.811 1.00 5.80 H new ATOM 0 HB3 ALA A 4 -23.956 6.677 7.310 1.00 5.80 H new ATOM 53 N HIS A 5 -20.371 8.055 6.368 1.00 3.04 N ATOM 54 CA HIS A 5 -19.977 9.462 6.072 1.00 2.83 C ATOM 55 C HIS A 5 -19.484 9.557 4.627 1.00 1.88 C ATOM 56 O HIS A 5 -19.718 8.677 3.822 1.00 1.28 O ATOM 57 CB HIS A 5 -18.852 9.878 7.021 1.00 4.97 C ATOM 58 CG HIS A 5 -19.063 11.297 7.471 1.00 6.45 C ATOM 59 ND1 HIS A 5 -19.827 12.199 6.748 1.00 6.68 N ATOM 60 CD2 HIS A 5 -18.613 11.985 8.571 1.00 8.08 C ATOM 61 CE1 HIS A 5 -19.814 13.367 7.414 1.00 8.43 C ATOM 62 NE2 HIS A 5 -19.087 13.293 8.532 1.00 9.25 N ATOM 0 H HIS A 5 -19.598 7.428 6.592 1.00 3.04 H new ATOM 0 HA HIS A 5 -20.835 10.121 6.208 1.00 2.83 H new ATOM 0 HB2 HIS A 5 -18.828 9.213 7.884 1.00 4.97 H new ATOM 0 HB3 HIS A 5 -17.888 9.785 6.520 1.00 4.97 H new ATOM 0 HD2 HIS A 5 -17.986 11.574 9.348 1.00 8.08 H new ATOM 0 HE1 HIS A 5 -20.329 14.257 7.085 1.00 8.43 H new ATOM 0 HE2 HIS A 5 -18.916 14.035 9.211 1.00 9.25 H new ATOM 70 N LYS A 6 -18.795 10.614 4.291 1.00 2.91 N ATOM 71 CA LYS A 6 -18.280 10.756 2.899 1.00 2.99 C ATOM 72 C LYS A 6 -17.025 9.896 2.745 1.00 2.71 C ATOM 73 O LYS A 6 -15.915 10.365 2.902 1.00 3.63 O ATOM 74 CB LYS A 6 -17.936 12.221 2.625 1.00 4.66 C ATOM 75 CG LYS A 6 -19.225 13.041 2.548 1.00 5.37 C ATOM 76 CD LYS A 6 -19.011 14.247 1.633 1.00 6.57 C ATOM 77 CE LYS A 6 -20.355 14.925 1.359 1.00 7.60 C ATOM 78 NZ LYS A 6 -20.848 14.528 0.010 1.00 7.95 N ATOM 0 H LYS A 6 -18.567 11.384 4.919 1.00 2.91 H new ATOM 0 HA LYS A 6 -19.040 10.430 2.189 1.00 2.99 H new ATOM 0 HB2 LYS A 6 -17.292 12.608 3.415 1.00 4.66 H new ATOM 0 HB3 LYS A 6 -17.381 12.307 1.691 1.00 4.66 H new ATOM 0 HG2 LYS A 6 -20.039 12.423 2.168 1.00 5.37 H new ATOM 0 HG3 LYS A 6 -19.516 13.374 3.544 1.00 5.37 H new ATOM 0 HD2 LYS A 6 -18.324 14.953 2.099 1.00 6.57 H new ATOM 0 HD3 LYS A 6 -18.554 13.929 0.696 1.00 6.57 H new ATOM 0 HE2 LYS A 6 -21.080 14.639 2.121 1.00 7.60 H new ATOM 0 HE3 LYS A 6 -20.245 16.008 1.413 1.00 7.60 H new ATOM 0 HZ1 LYS A 6 -21.761 14.989 -0.175 1.00 7.95 H new ATOM 0 HZ2 LYS A 6 -20.159 14.822 -0.712 1.00 7.95 H new ATOM 0 HZ3 LYS A 6 -20.968 13.496 -0.026 1.00 7.95 H new ATOM 92 N CYS A 7 -17.193 8.638 2.448 1.00 1.85 N ATOM 93 CA CYS A 7 -16.014 7.743 2.296 1.00 2.16 C ATOM 94 C CYS A 7 -15.520 7.762 0.846 1.00 1.47 C ATOM 95 O CYS A 7 -14.376 7.470 0.573 1.00 1.89 O ATOM 96 CB CYS A 7 -16.410 6.316 2.680 1.00 2.90 C ATOM 97 SG CYS A 7 -16.069 5.200 1.296 1.00 2.62 S ATOM 0 H CYS A 7 -18.098 8.191 2.304 1.00 1.85 H new ATOM 0 HA CYS A 7 -15.214 8.093 2.948 1.00 2.16 H new ATOM 0 HB2 CYS A 7 -15.854 5.998 3.562 1.00 2.90 H new ATOM 0 HB3 CYS A 7 -17.468 6.278 2.939 1.00 2.90 H new ATOM 102 N ASP A 8 -16.369 8.095 -0.087 1.00 0.87 N ATOM 103 CA ASP A 8 -15.932 8.120 -1.514 1.00 1.31 C ATOM 104 C ASP A 8 -14.832 9.173 -1.713 1.00 1.07 C ATOM 105 O ASP A 8 -14.075 9.114 -2.662 1.00 1.16 O ATOM 106 CB ASP A 8 -17.128 8.461 -2.404 1.00 1.86 C ATOM 107 CG ASP A 8 -16.756 8.234 -3.871 1.00 2.49 C ATOM 108 OD1 ASP A 8 -16.506 7.095 -4.229 1.00 3.64 O ATOM 109 OD2 ASP A 8 -16.727 9.203 -4.612 1.00 2.20 O ATOM 0 H ASP A 8 -17.343 8.350 0.075 1.00 0.87 H new ATOM 0 HA ASP A 8 -15.538 7.140 -1.783 1.00 1.31 H new ATOM 0 HB2 ASP A 8 -17.983 7.841 -2.135 1.00 1.86 H new ATOM 0 HB3 ASP A 8 -17.425 9.498 -2.250 1.00 1.86 H new ATOM 114 N ILE A 9 -14.740 10.142 -0.840 1.00 0.83 N ATOM 115 CA ILE A 9 -13.695 11.195 -0.998 1.00 0.78 C ATOM 116 C ILE A 9 -12.313 10.630 -0.650 1.00 0.70 C ATOM 117 O ILE A 9 -11.432 10.557 -1.483 1.00 1.04 O ATOM 118 CB ILE A 9 -14.010 12.364 -0.063 1.00 0.71 C ATOM 119 CG1 ILE A 9 -15.187 13.164 -0.627 1.00 1.03 C ATOM 120 CG2 ILE A 9 -12.785 13.271 0.054 1.00 0.56 C ATOM 121 CD1 ILE A 9 -15.624 14.218 0.393 1.00 0.83 C ATOM 0 H ILE A 9 -15.344 10.249 -0.025 1.00 0.83 H new ATOM 0 HA ILE A 9 -13.690 11.535 -2.034 1.00 0.78 H new ATOM 0 HB ILE A 9 -14.270 11.980 0.923 1.00 0.71 H new ATOM 0 HG12 ILE A 9 -14.899 13.645 -1.562 1.00 1.03 H new ATOM 0 HG13 ILE A 9 -16.018 12.497 -0.855 1.00 1.03 H new ATOM 0 HG21 ILE A 9 -13.011 14.103 0.720 1.00 0.56 H new ATOM 0 HG22 ILE A 9 -11.947 12.701 0.456 1.00 0.56 H new ATOM 0 HG23 ILE A 9 -12.522 13.656 -0.931 1.00 0.56 H new ATOM 0 HD11 ILE A 9 -16.462 14.788 -0.009 1.00 0.83 H new ATOM 0 HD12 ILE A 9 -15.929 13.726 1.317 1.00 0.83 H new ATOM 0 HD13 ILE A 9 -14.792 14.892 0.599 1.00 0.83 H new ATOM 133 N THR A 10 -12.114 10.243 0.578 1.00 0.42 N ATOM 134 CA THR A 10 -10.788 9.696 0.989 1.00 0.61 C ATOM 135 C THR A 10 -10.451 8.448 0.170 1.00 0.43 C ATOM 136 O THR A 10 -9.301 8.111 -0.016 1.00 0.43 O ATOM 137 CB THR A 10 -10.845 9.314 2.465 1.00 0.76 C ATOM 138 OG1 THR A 10 -11.318 10.420 3.222 1.00 0.91 O ATOM 139 CG2 THR A 10 -9.447 8.917 2.949 1.00 1.11 C ATOM 0 H THR A 10 -12.814 10.281 1.319 1.00 0.42 H new ATOM 0 HA THR A 10 -10.023 10.454 0.819 1.00 0.61 H new ATOM 0 HB THR A 10 -11.522 8.470 2.595 1.00 0.76 H new ATOM 0 HG1 THR A 10 -11.357 10.175 4.170 1.00 0.91 H new ATOM 0 HG21 THR A 10 -9.491 8.645 4.004 1.00 1.11 H new ATOM 0 HG22 THR A 10 -9.089 8.066 2.369 1.00 1.11 H new ATOM 0 HG23 THR A 10 -8.765 9.757 2.819 1.00 1.11 H new ATOM 147 N LEU A 11 -11.444 7.749 -0.299 1.00 0.35 N ATOM 148 CA LEU A 11 -11.185 6.509 -1.088 1.00 0.32 C ATOM 149 C LEU A 11 -10.526 6.848 -2.430 1.00 0.41 C ATOM 150 O LEU A 11 -9.420 6.431 -2.707 1.00 0.23 O ATOM 151 CB LEU A 11 -12.507 5.784 -1.340 1.00 0.41 C ATOM 152 CG LEU A 11 -12.595 4.550 -0.439 1.00 0.80 C ATOM 153 CD1 LEU A 11 -11.500 3.556 -0.830 1.00 1.35 C ATOM 154 CD2 LEU A 11 -12.403 4.967 1.021 1.00 2.33 C ATOM 0 H LEU A 11 -12.429 7.982 -0.171 1.00 0.35 H new ATOM 0 HA LEU A 11 -10.510 5.868 -0.521 1.00 0.32 H new ATOM 0 HB2 LEU A 11 -13.344 6.453 -1.141 1.00 0.41 H new ATOM 0 HB3 LEU A 11 -12.578 5.488 -2.387 1.00 0.41 H new ATOM 0 HG LEU A 11 -13.573 4.083 -0.558 1.00 0.80 H new ATOM 0 HD11 LEU A 11 -11.561 2.676 -0.189 1.00 1.35 H new ATOM 0 HD12 LEU A 11 -11.634 3.257 -1.870 1.00 1.35 H new ATOM 0 HD13 LEU A 11 -10.523 4.025 -0.710 1.00 1.35 H new ATOM 0 HD21 LEU A 11 -12.466 4.088 1.662 1.00 2.33 H new ATOM 0 HD22 LEU A 11 -11.425 5.434 1.140 1.00 2.33 H new ATOM 0 HD23 LEU A 11 -13.181 5.677 1.302 1.00 2.33 H new ATOM 166 N GLN A 12 -11.198 7.583 -3.274 1.00 0.93 N ATOM 167 CA GLN A 12 -10.604 7.925 -4.602 1.00 1.11 C ATOM 168 C GLN A 12 -9.241 8.594 -4.411 1.00 0.99 C ATOM 169 O GLN A 12 -8.291 8.298 -5.111 1.00 0.94 O ATOM 170 CB GLN A 12 -11.536 8.874 -5.359 1.00 1.47 C ATOM 171 CG GLN A 12 -11.794 10.123 -4.517 1.00 0.71 C ATOM 172 CD GLN A 12 -12.977 10.896 -5.100 1.00 1.09 C ATOM 173 OE1 GLN A 12 -13.826 10.326 -5.755 1.00 1.76 O ATOM 174 NE2 GLN A 12 -13.071 12.179 -4.886 1.00 1.40 N ATOM 0 H GLN A 12 -12.130 7.961 -3.104 1.00 0.93 H new ATOM 0 HA GLN A 12 -10.476 7.008 -5.177 1.00 1.11 H new ATOM 0 HB2 GLN A 12 -11.090 9.153 -6.313 1.00 1.47 H new ATOM 0 HB3 GLN A 12 -12.478 8.373 -5.582 1.00 1.47 H new ATOM 0 HG2 GLN A 12 -12.003 9.842 -3.485 1.00 0.71 H new ATOM 0 HG3 GLN A 12 -10.905 10.754 -4.502 1.00 0.71 H new ATOM 0 HE21 GLN A 12 -12.358 12.658 -4.336 1.00 1.40 H new ATOM 0 HE22 GLN A 12 -13.858 12.704 -5.269 1.00 1.40 H new ATOM 183 N GLU A 13 -9.131 9.490 -3.471 1.00 0.99 N ATOM 184 CA GLU A 13 -7.822 10.168 -3.242 1.00 0.95 C ATOM 185 C GLU A 13 -6.778 9.121 -2.859 1.00 0.75 C ATOM 186 O GLU A 13 -5.616 9.227 -3.200 1.00 0.72 O ATOM 187 CB GLU A 13 -7.962 11.182 -2.106 1.00 1.06 C ATOM 188 CG GLU A 13 -7.205 12.463 -2.463 1.00 1.03 C ATOM 189 CD GLU A 13 -8.045 13.679 -2.065 1.00 1.61 C ATOM 190 OE1 GLU A 13 -8.469 13.732 -0.922 1.00 1.63 O ATOM 191 OE2 GLU A 13 -8.249 14.534 -2.910 1.00 2.72 O ATOM 0 H GLU A 13 -9.887 9.783 -2.852 1.00 0.99 H new ATOM 0 HA GLU A 13 -7.513 10.684 -4.151 1.00 0.95 H new ATOM 0 HB2 GLU A 13 -9.015 11.406 -1.933 1.00 1.06 H new ATOM 0 HB3 GLU A 13 -7.569 10.762 -1.180 1.00 1.06 H new ATOM 0 HG2 GLU A 13 -6.245 12.486 -1.948 1.00 1.03 H new ATOM 0 HG3 GLU A 13 -6.994 12.488 -3.532 1.00 1.03 H new ATOM 198 N ILE A 14 -7.190 8.108 -2.152 1.00 0.62 N ATOM 199 CA ILE A 14 -6.239 7.042 -1.739 1.00 0.43 C ATOM 200 C ILE A 14 -5.768 6.281 -2.978 1.00 0.37 C ATOM 201 O ILE A 14 -4.661 5.788 -3.031 1.00 0.30 O ATOM 202 CB ILE A 14 -6.946 6.089 -0.768 1.00 0.34 C ATOM 203 CG1 ILE A 14 -6.204 6.087 0.567 1.00 0.45 C ATOM 204 CG2 ILE A 14 -6.969 4.668 -1.336 1.00 0.37 C ATOM 205 CD1 ILE A 14 -7.159 5.641 1.673 1.00 0.49 C ATOM 0 H ILE A 14 -8.152 7.972 -1.840 1.00 0.62 H new ATOM 0 HA ILE A 14 -5.374 7.481 -1.242 1.00 0.43 H new ATOM 0 HB ILE A 14 -7.972 6.428 -0.625 1.00 0.34 H new ATOM 0 HG12 ILE A 14 -5.346 5.416 0.519 1.00 0.45 H new ATOM 0 HG13 ILE A 14 -5.818 7.083 0.783 1.00 0.45 H new ATOM 0 HG21 ILE A 14 -7.474 4.004 -0.635 1.00 0.37 H new ATOM 0 HG22 ILE A 14 -7.502 4.665 -2.287 1.00 0.37 H new ATOM 0 HG23 ILE A 14 -5.947 4.322 -1.492 1.00 0.37 H new ATOM 0 HD11 ILE A 14 -6.634 5.638 2.628 1.00 0.49 H new ATOM 0 HD12 ILE A 14 -8.002 6.329 1.725 1.00 0.49 H new ATOM 0 HD13 ILE A 14 -7.523 4.637 1.456 1.00 0.49 H new ATOM 217 N ILE A 15 -6.603 6.183 -3.977 1.00 0.49 N ATOM 218 CA ILE A 15 -6.204 5.458 -5.215 1.00 0.53 C ATOM 219 C ILE A 15 -5.099 6.245 -5.919 1.00 0.50 C ATOM 220 O ILE A 15 -4.112 5.689 -6.364 1.00 0.46 O ATOM 221 CB ILE A 15 -7.419 5.326 -6.131 1.00 0.72 C ATOM 222 CG1 ILE A 15 -8.147 4.019 -5.811 1.00 0.80 C ATOM 223 CG2 ILE A 15 -6.967 5.319 -7.591 1.00 0.80 C ATOM 224 CD1 ILE A 15 -9.297 4.299 -4.844 1.00 0.92 C ATOM 0 H ILE A 15 -7.545 6.574 -3.988 1.00 0.49 H new ATOM 0 HA ILE A 15 -5.834 4.463 -4.966 1.00 0.53 H new ATOM 0 HB ILE A 15 -8.091 6.169 -5.971 1.00 0.72 H new ATOM 0 HG12 ILE A 15 -8.530 3.570 -6.727 1.00 0.80 H new ATOM 0 HG13 ILE A 15 -7.454 3.303 -5.370 1.00 0.80 H new ATOM 0 HG21 ILE A 15 -7.837 5.225 -8.241 1.00 0.80 H new ATOM 0 HG22 ILE A 15 -6.446 6.250 -7.815 1.00 0.80 H new ATOM 0 HG23 ILE A 15 -6.295 4.477 -7.760 1.00 0.80 H new ATOM 0 HD11 ILE A 15 -9.816 3.368 -4.616 1.00 0.92 H new ATOM 0 HD12 ILE A 15 -8.902 4.729 -3.924 1.00 0.92 H new ATOM 0 HD13 ILE A 15 -9.995 5.000 -5.302 1.00 0.92 H new ATOM 236 N LYS A 16 -5.245 7.540 -6.009 1.00 0.52 N ATOM 237 CA LYS A 16 -4.184 8.355 -6.663 1.00 0.49 C ATOM 238 C LYS A 16 -2.874 8.108 -5.917 1.00 0.39 C ATOM 239 O LYS A 16 -1.842 7.847 -6.504 1.00 0.42 O ATOM 240 CB LYS A 16 -4.552 9.838 -6.584 1.00 0.52 C ATOM 241 CG LYS A 16 -4.516 10.451 -7.986 1.00 0.89 C ATOM 242 CD LYS A 16 -5.885 10.287 -8.649 1.00 1.87 C ATOM 243 CE LYS A 16 -6.766 11.491 -8.309 1.00 1.61 C ATOM 244 NZ LYS A 16 -7.953 11.508 -9.210 1.00 2.60 N ATOM 0 H LYS A 16 -6.047 8.064 -5.660 1.00 0.52 H new ATOM 0 HA LYS A 16 -4.082 8.076 -7.712 1.00 0.49 H new ATOM 0 HB2 LYS A 16 -5.545 9.954 -6.151 1.00 0.52 H new ATOM 0 HB3 LYS A 16 -3.856 10.362 -5.929 1.00 0.52 H new ATOM 0 HG2 LYS A 16 -4.253 11.507 -7.926 1.00 0.89 H new ATOM 0 HG3 LYS A 16 -3.748 9.965 -8.588 1.00 0.89 H new ATOM 0 HD2 LYS A 16 -5.769 10.201 -9.729 1.00 1.87 H new ATOM 0 HD3 LYS A 16 -6.359 9.368 -8.305 1.00 1.87 H new ATOM 0 HE2 LYS A 16 -7.087 11.438 -7.269 1.00 1.61 H new ATOM 0 HE3 LYS A 16 -6.198 12.414 -8.421 1.00 1.61 H new ATOM 0 HZ1 LYS A 16 -8.552 12.326 -8.979 1.00 2.60 H new ATOM 0 HZ2 LYS A 16 -7.638 11.578 -10.199 1.00 2.60 H new ATOM 0 HZ3 LYS A 16 -8.499 10.632 -9.082 1.00 2.60 H new ATOM 258 N THR A 17 -2.923 8.167 -4.615 1.00 0.31 N ATOM 259 CA THR A 17 -1.702 7.915 -3.805 1.00 0.22 C ATOM 260 C THR A 17 -1.149 6.538 -4.176 1.00 0.19 C ATOM 261 O THR A 17 0.046 6.317 -4.196 1.00 0.08 O ATOM 262 CB THR A 17 -2.076 7.939 -2.320 1.00 0.33 C ATOM 263 OG1 THR A 17 -2.872 9.086 -2.056 1.00 0.35 O ATOM 264 CG2 THR A 17 -0.810 7.990 -1.467 1.00 0.34 C ATOM 0 H THR A 17 -3.762 8.380 -4.076 1.00 0.31 H new ATOM 0 HA THR A 17 -0.950 8.679 -4.000 1.00 0.22 H new ATOM 0 HB THR A 17 -2.637 7.037 -2.074 1.00 0.33 H new ATOM 0 HG1 THR A 17 -3.115 9.104 -1.107 1.00 0.35 H new ATOM 0 HG21 THR A 17 -1.083 8.007 -0.412 1.00 0.34 H new ATOM 0 HG22 THR A 17 -0.199 7.110 -1.670 1.00 0.34 H new ATOM 0 HG23 THR A 17 -0.244 8.889 -1.710 1.00 0.34 H new ATOM 272 N LEU A 18 -2.019 5.616 -4.481 1.00 0.35 N ATOM 273 CA LEU A 18 -1.569 4.250 -4.866 1.00 0.37 C ATOM 274 C LEU A 18 -0.589 4.359 -6.035 1.00 0.36 C ATOM 275 O LEU A 18 0.492 3.806 -6.009 1.00 0.38 O ATOM 276 CB LEU A 18 -2.784 3.426 -5.302 1.00 0.64 C ATOM 277 CG LEU A 18 -2.577 1.949 -4.950 1.00 0.44 C ATOM 278 CD1 LEU A 18 -3.555 1.096 -5.762 1.00 1.47 C ATOM 279 CD2 LEU A 18 -1.144 1.527 -5.287 1.00 1.54 C ATOM 0 H LEU A 18 -3.030 5.752 -4.480 1.00 0.35 H new ATOM 0 HA LEU A 18 -1.082 3.767 -4.019 1.00 0.37 H new ATOM 0 HB2 LEU A 18 -3.682 3.802 -4.812 1.00 0.64 H new ATOM 0 HB3 LEU A 18 -2.939 3.533 -6.376 1.00 0.64 H new ATOM 0 HG LEU A 18 -2.753 1.806 -3.884 1.00 0.44 H new ATOM 0 HD11 LEU A 18 -3.412 0.044 -5.515 1.00 1.47 H new ATOM 0 HD12 LEU A 18 -4.578 1.389 -5.524 1.00 1.47 H new ATOM 0 HD13 LEU A 18 -3.373 1.247 -6.826 1.00 1.47 H new ATOM 0 HD21 LEU A 18 -1.005 0.476 -5.034 1.00 1.54 H new ATOM 0 HD22 LEU A 18 -0.963 1.671 -6.352 1.00 1.54 H new ATOM 0 HD23 LEU A 18 -0.442 2.134 -4.715 1.00 1.54 H new ATOM 291 N ASN A 19 -0.967 5.066 -7.064 1.00 0.47 N ATOM 292 CA ASN A 19 -0.071 5.212 -8.246 1.00 0.58 C ATOM 293 C ASN A 19 1.239 5.884 -7.827 1.00 0.54 C ATOM 294 O ASN A 19 2.281 5.640 -8.401 1.00 0.67 O ATOM 295 CB ASN A 19 -0.767 6.068 -9.305 1.00 0.77 C ATOM 296 CG ASN A 19 -1.772 5.210 -10.072 1.00 0.53 C ATOM 297 OD1 ASN A 19 -1.407 4.492 -10.981 1.00 1.01 O ATOM 298 ND2 ASN A 19 -3.033 5.253 -9.741 1.00 1.84 N ATOM 0 H ASN A 19 -1.861 5.551 -7.137 1.00 0.47 H new ATOM 0 HA ASN A 19 0.148 4.226 -8.656 1.00 0.58 H new ATOM 0 HB2 ASN A 19 -1.276 6.908 -8.832 1.00 0.77 H new ATOM 0 HB3 ASN A 19 -0.031 6.486 -9.991 1.00 0.77 H new ATOM 0 HD21 ASN A 19 -3.712 4.684 -10.246 1.00 1.84 H new ATOM 0 HD22 ASN A 19 -3.340 5.856 -8.978 1.00 1.84 H new ATOM 305 N SER A 20 1.197 6.734 -6.837 1.00 0.43 N ATOM 306 CA SER A 20 2.445 7.424 -6.395 1.00 0.55 C ATOM 307 C SER A 20 3.437 6.406 -5.827 1.00 0.59 C ATOM 308 O SER A 20 4.629 6.509 -6.035 1.00 0.75 O ATOM 309 CB SER A 20 2.102 8.455 -5.319 1.00 0.50 C ATOM 310 OG SER A 20 1.309 9.486 -5.892 1.00 0.58 O ATOM 0 H SER A 20 0.356 6.981 -6.316 1.00 0.43 H new ATOM 0 HA SER A 20 2.898 7.922 -7.252 1.00 0.55 H new ATOM 0 HB2 SER A 20 1.563 7.978 -4.501 1.00 0.50 H new ATOM 0 HB3 SER A 20 3.015 8.875 -4.897 1.00 0.50 H new ATOM 0 HG SER A 20 1.078 10.143 -5.202 1.00 0.58 H new ATOM 316 N LEU A 21 2.962 5.426 -5.106 1.00 0.47 N ATOM 317 CA LEU A 21 3.893 4.413 -4.527 1.00 0.56 C ATOM 318 C LEU A 21 4.521 3.567 -5.643 1.00 0.60 C ATOM 319 O LEU A 21 5.506 2.887 -5.431 1.00 0.74 O ATOM 320 CB LEU A 21 3.128 3.500 -3.564 1.00 0.47 C ATOM 321 CG LEU A 21 2.416 4.346 -2.507 1.00 0.85 C ATOM 322 CD1 LEU A 21 1.543 3.441 -1.635 1.00 1.20 C ATOM 323 CD2 LEU A 21 3.455 5.048 -1.630 1.00 1.04 C ATOM 0 H LEU A 21 1.975 5.283 -4.893 1.00 0.47 H new ATOM 0 HA LEU A 21 4.685 4.933 -3.988 1.00 0.56 H new ATOM 0 HB2 LEU A 21 2.402 2.902 -4.114 1.00 0.47 H new ATOM 0 HB3 LEU A 21 3.816 2.804 -3.084 1.00 0.47 H new ATOM 0 HG LEU A 21 1.792 5.092 -2.999 1.00 0.85 H new ATOM 0 HD11 LEU A 21 1.035 4.042 -0.881 1.00 1.20 H new ATOM 0 HD12 LEU A 21 0.803 2.939 -2.258 1.00 1.20 H new ATOM 0 HD13 LEU A 21 2.169 2.696 -1.144 1.00 1.20 H new ATOM 0 HD21 LEU A 21 2.948 5.651 -0.877 1.00 1.04 H new ATOM 0 HD22 LEU A 21 4.079 4.302 -1.138 1.00 1.04 H new ATOM 0 HD23 LEU A 21 4.079 5.692 -2.250 1.00 1.04 H new ATOM 335 N THR A 22 3.967 3.596 -6.830 1.00 0.60 N ATOM 336 CA THR A 22 4.545 2.789 -7.944 1.00 0.75 C ATOM 337 C THR A 22 5.568 3.622 -8.730 1.00 0.82 C ATOM 338 O THR A 22 5.825 3.361 -9.889 1.00 0.70 O ATOM 339 CB THR A 22 3.422 2.348 -8.886 1.00 0.80 C ATOM 340 OG1 THR A 22 2.196 2.305 -8.171 1.00 0.83 O ATOM 341 CG2 THR A 22 3.738 0.961 -9.447 1.00 1.42 C ATOM 0 H THR A 22 3.141 4.143 -7.073 1.00 0.60 H new ATOM 0 HA THR A 22 5.045 1.915 -7.526 1.00 0.75 H new ATOM 0 HB THR A 22 3.338 3.058 -9.709 1.00 0.80 H new ATOM 0 HG1 THR A 22 1.476 2.024 -8.773 1.00 0.83 H new ATOM 0 HG21 THR A 22 2.937 0.649 -10.117 1.00 1.42 H new ATOM 0 HG22 THR A 22 4.679 0.997 -9.997 1.00 1.42 H new ATOM 0 HG23 THR A 22 3.824 0.248 -8.627 1.00 1.42 H new ATOM 349 N GLU A 23 6.151 4.620 -8.122 1.00 1.21 N ATOM 350 CA GLU A 23 7.145 5.456 -8.852 1.00 1.29 C ATOM 351 C GLU A 23 8.531 4.811 -8.749 1.00 1.29 C ATOM 352 O GLU A 23 9.350 4.934 -9.639 1.00 1.40 O ATOM 353 CB GLU A 23 7.176 6.858 -8.240 1.00 1.40 C ATOM 354 CG GLU A 23 7.267 7.900 -9.355 1.00 1.07 C ATOM 355 CD GLU A 23 5.914 8.014 -10.060 1.00 0.81 C ATOM 356 OE1 GLU A 23 4.910 8.039 -9.368 1.00 2.10 O ATOM 357 OE2 GLU A 23 5.905 8.071 -11.279 1.00 1.27 O ATOM 0 H GLU A 23 5.982 4.891 -7.153 1.00 1.21 H new ATOM 0 HA GLU A 23 6.862 5.528 -9.902 1.00 1.29 H new ATOM 0 HB2 GLU A 23 6.279 7.026 -7.643 1.00 1.40 H new ATOM 0 HB3 GLU A 23 8.029 6.954 -7.568 1.00 1.40 H new ATOM 0 HG2 GLU A 23 7.556 8.866 -8.941 1.00 1.07 H new ATOM 0 HG3 GLU A 23 8.039 7.616 -10.070 1.00 1.07 H new ATOM 364 N GLN A 24 8.797 4.117 -7.677 1.00 1.20 N ATOM 365 CA GLN A 24 10.126 3.455 -7.525 1.00 1.19 C ATOM 366 C GLN A 24 9.968 1.960 -7.787 1.00 0.99 C ATOM 367 O GLN A 24 10.258 1.134 -6.944 1.00 1.07 O ATOM 368 CB GLN A 24 10.645 3.668 -6.105 1.00 1.41 C ATOM 369 CG GLN A 24 12.076 3.137 -6.001 1.00 2.19 C ATOM 370 CD GLN A 24 12.974 4.201 -5.371 1.00 2.33 C ATOM 371 OE1 GLN A 24 12.559 4.913 -4.477 1.00 2.83 O ATOM 372 NE2 GLN A 24 14.197 4.342 -5.802 1.00 2.51 N ATOM 0 H GLN A 24 8.152 3.979 -6.899 1.00 1.20 H new ATOM 0 HA GLN A 24 10.833 3.884 -8.235 1.00 1.19 H new ATOM 0 HB2 GLN A 24 10.620 4.728 -5.852 1.00 1.41 H new ATOM 0 HB3 GLN A 24 10.002 3.154 -5.390 1.00 1.41 H new ATOM 0 HG2 GLN A 24 12.094 2.228 -5.399 1.00 2.19 H new ATOM 0 HG3 GLN A 24 12.449 2.872 -6.990 1.00 2.19 H new ATOM 0 HE21 GLN A 24 14.545 3.745 -6.552 1.00 2.51 H new ATOM 0 HE22 GLN A 24 14.805 5.049 -5.389 1.00 2.51 H new ATOM 381 N LYS A 25 9.498 1.610 -8.948 1.00 1.13 N ATOM 382 CA LYS A 25 9.304 0.170 -9.270 1.00 1.43 C ATOM 383 C LYS A 25 10.582 -0.404 -9.885 1.00 1.80 C ATOM 384 O LYS A 25 10.631 -0.708 -11.061 1.00 2.51 O ATOM 385 CB LYS A 25 8.145 0.026 -10.260 1.00 2.04 C ATOM 386 CG LYS A 25 7.974 -1.445 -10.643 1.00 2.49 C ATOM 387 CD LYS A 25 6.498 -1.723 -10.942 1.00 2.18 C ATOM 388 CE LYS A 25 6.356 -3.090 -11.613 1.00 3.22 C ATOM 389 NZ LYS A 25 5.028 -3.673 -11.271 1.00 3.35 N ATOM 0 H LYS A 25 9.239 2.259 -9.691 1.00 1.13 H new ATOM 0 HA LYS A 25 9.075 -0.377 -8.356 1.00 1.43 H new ATOM 0 HB2 LYS A 25 7.225 0.405 -9.815 1.00 2.04 H new ATOM 0 HB3 LYS A 25 8.339 0.624 -11.151 1.00 2.04 H new ATOM 0 HG2 LYS A 25 8.584 -1.678 -11.516 1.00 2.49 H new ATOM 0 HG3 LYS A 25 8.319 -2.086 -9.832 1.00 2.49 H new ATOM 0 HD2 LYS A 25 5.919 -1.699 -10.019 1.00 2.18 H new ATOM 0 HD3 LYS A 25 6.096 -0.945 -11.591 1.00 2.18 H new ATOM 0 HE2 LYS A 25 6.454 -2.989 -12.694 1.00 3.22 H new ATOM 0 HE3 LYS A 25 7.154 -3.755 -11.282 1.00 3.22 H new ATOM 0 HZ1 LYS A 25 4.929 -4.603 -11.726 1.00 3.35 H new ATOM 0 HZ2 LYS A 25 4.952 -3.783 -10.240 1.00 3.35 H new ATOM 0 HZ3 LYS A 25 4.274 -3.041 -11.608 1.00 3.35 H new ATOM 403 N THR A 26 11.616 -0.566 -9.101 1.00 1.46 N ATOM 404 CA THR A 26 12.877 -1.132 -9.655 1.00 1.92 C ATOM 405 C THR A 26 13.857 -1.468 -8.526 1.00 1.71 C ATOM 406 O THR A 26 14.331 -2.581 -8.417 1.00 1.76 O ATOM 407 CB THR A 26 13.523 -0.115 -10.598 1.00 2.39 C ATOM 408 OG1 THR A 26 12.771 1.091 -10.582 1.00 2.41 O ATOM 409 CG2 THR A 26 13.555 -0.682 -12.018 1.00 2.39 C ATOM 0 H THR A 26 11.640 -0.332 -8.108 1.00 1.46 H new ATOM 0 HA THR A 26 12.639 -2.046 -10.200 1.00 1.92 H new ATOM 0 HB THR A 26 14.542 0.090 -10.269 1.00 2.39 H new ATOM 0 HG1 THR A 26 13.186 1.743 -11.185 1.00 2.41 H new ATOM 0 HG21 THR A 26 14.015 0.043 -12.689 1.00 2.39 H new ATOM 0 HG22 THR A 26 14.135 -1.605 -12.028 1.00 2.39 H new ATOM 0 HG23 THR A 26 12.538 -0.889 -12.350 1.00 2.39 H new ATOM 417 N LEU A 27 14.184 -0.513 -7.700 1.00 1.57 N ATOM 418 CA LEU A 27 15.154 -0.780 -6.600 1.00 1.56 C ATOM 419 C LEU A 27 14.423 -1.239 -5.334 1.00 1.15 C ATOM 420 O LEU A 27 14.878 -2.119 -4.631 1.00 1.17 O ATOM 421 CB LEU A 27 15.933 0.502 -6.298 1.00 1.83 C ATOM 422 CG LEU A 27 17.412 0.308 -6.645 1.00 1.79 C ATOM 423 CD1 LEU A 27 17.900 1.497 -7.474 1.00 2.36 C ATOM 424 CD2 LEU A 27 18.231 0.217 -5.355 1.00 2.44 C ATOM 0 H LEU A 27 13.822 0.440 -7.739 1.00 1.57 H new ATOM 0 HA LEU A 27 15.836 -1.570 -6.915 1.00 1.56 H new ATOM 0 HB2 LEU A 27 15.522 1.332 -6.873 1.00 1.83 H new ATOM 0 HB3 LEU A 27 15.829 0.761 -5.244 1.00 1.83 H new ATOM 0 HG LEU A 27 17.533 -0.611 -7.219 1.00 1.79 H new ATOM 0 HD11 LEU A 27 18.953 1.360 -7.722 1.00 2.36 H new ATOM 0 HD12 LEU A 27 17.317 1.564 -8.392 1.00 2.36 H new ATOM 0 HD13 LEU A 27 17.779 2.415 -6.899 1.00 2.36 H new ATOM 0 HD21 LEU A 27 19.284 0.079 -5.601 1.00 2.44 H new ATOM 0 HD22 LEU A 27 18.110 1.136 -4.782 1.00 2.44 H new ATOM 0 HD23 LEU A 27 17.883 -0.629 -4.762 1.00 2.44 H new ATOM 436 N CYS A 28 13.306 -0.641 -5.027 1.00 0.84 N ATOM 437 CA CYS A 28 12.569 -1.042 -3.792 1.00 0.53 C ATOM 438 C CYS A 28 11.554 -2.146 -4.104 1.00 0.15 C ATOM 439 O CYS A 28 11.250 -2.968 -3.262 1.00 0.22 O ATOM 440 CB CYS A 28 11.847 0.174 -3.207 1.00 0.55 C ATOM 441 SG CYS A 28 12.820 0.842 -1.833 1.00 0.65 S ATOM 0 H CYS A 28 12.872 0.104 -5.573 1.00 0.84 H new ATOM 0 HA CYS A 28 13.286 -1.425 -3.066 1.00 0.53 H new ATOM 0 HB2 CYS A 28 11.711 0.935 -3.975 1.00 0.55 H new ATOM 0 HB3 CYS A 28 10.854 -0.110 -2.860 1.00 0.55 H new ATOM 446 N THR A 29 11.025 -2.184 -5.299 1.00 0.42 N ATOM 447 CA THR A 29 10.034 -3.252 -5.630 1.00 0.60 C ATOM 448 C THR A 29 10.736 -4.613 -5.749 1.00 0.55 C ATOM 449 O THR A 29 10.089 -5.636 -5.856 1.00 0.54 O ATOM 450 CB THR A 29 9.329 -2.919 -6.947 1.00 0.94 C ATOM 451 OG1 THR A 29 10.261 -2.344 -7.847 1.00 1.26 O ATOM 452 CG2 THR A 29 8.194 -1.930 -6.674 1.00 0.70 C ATOM 0 H THR A 29 11.233 -1.530 -6.053 1.00 0.42 H new ATOM 0 HA THR A 29 9.297 -3.304 -4.829 1.00 0.60 H new ATOM 0 HB THR A 29 8.919 -3.828 -7.387 1.00 0.94 H new ATOM 0 HG1 THR A 29 10.208 -2.804 -8.711 1.00 1.26 H new ATOM 0 HG21 THR A 29 7.688 -1.689 -7.609 1.00 0.70 H new ATOM 0 HG22 THR A 29 7.481 -2.376 -5.981 1.00 0.70 H new ATOM 0 HG23 THR A 29 8.603 -1.019 -6.238 1.00 0.70 H new ATOM 460 N GLU A 30 12.047 -4.647 -5.721 1.00 0.51 N ATOM 461 CA GLU A 30 12.758 -5.953 -5.813 1.00 0.45 C ATOM 462 C GLU A 30 12.977 -6.485 -4.396 1.00 0.53 C ATOM 463 O GLU A 30 14.086 -6.759 -3.984 1.00 0.91 O ATOM 464 CB GLU A 30 14.109 -5.757 -6.502 1.00 0.43 C ATOM 465 CG GLU A 30 13.960 -6.030 -7.998 1.00 1.75 C ATOM 466 CD GLU A 30 15.171 -5.465 -8.742 1.00 2.46 C ATOM 467 OE1 GLU A 30 16.059 -4.950 -8.084 1.00 2.14 O ATOM 468 OE2 GLU A 30 15.190 -5.558 -9.959 1.00 3.85 O ATOM 0 H GLU A 30 12.650 -3.828 -5.639 1.00 0.51 H new ATOM 0 HA GLU A 30 12.166 -6.661 -6.393 1.00 0.45 H new ATOM 0 HB2 GLU A 30 14.468 -4.741 -6.341 1.00 0.43 H new ATOM 0 HB3 GLU A 30 14.851 -6.429 -6.071 1.00 0.43 H new ATOM 0 HG2 GLU A 30 13.878 -7.102 -8.177 1.00 1.75 H new ATOM 0 HG3 GLU A 30 13.044 -5.573 -8.373 1.00 1.75 H new ATOM 475 N LEU A 31 11.918 -6.625 -3.651 1.00 0.41 N ATOM 476 CA LEU A 31 12.027 -7.126 -2.259 1.00 0.44 C ATOM 477 C LEU A 31 10.789 -7.967 -1.959 1.00 0.44 C ATOM 478 O LEU A 31 9.739 -7.447 -1.638 1.00 1.08 O ATOM 479 CB LEU A 31 12.091 -5.939 -1.297 1.00 0.62 C ATOM 480 CG LEU A 31 13.547 -5.511 -1.103 1.00 0.57 C ATOM 481 CD1 LEU A 31 13.644 -3.984 -1.160 1.00 1.25 C ATOM 482 CD2 LEU A 31 14.041 -6.002 0.259 1.00 1.09 C ATOM 0 H LEU A 31 10.968 -6.410 -3.955 1.00 0.41 H new ATOM 0 HA LEU A 31 12.928 -7.728 -2.138 1.00 0.44 H new ATOM 0 HB2 LEU A 31 11.507 -5.107 -1.691 1.00 0.62 H new ATOM 0 HB3 LEU A 31 11.651 -6.212 -0.338 1.00 0.62 H new ATOM 0 HG LEU A 31 14.162 -5.942 -1.893 1.00 0.57 H new ATOM 0 HD11 LEU A 31 14.682 -3.680 -1.022 1.00 1.25 H new ATOM 0 HD12 LEU A 31 13.289 -3.633 -2.129 1.00 1.25 H new ATOM 0 HD13 LEU A 31 13.031 -3.551 -0.370 1.00 1.25 H new ATOM 0 HD21 LEU A 31 15.078 -5.699 0.401 1.00 1.09 H new ATOM 0 HD22 LEU A 31 13.425 -5.569 1.047 1.00 1.09 H new ATOM 0 HD23 LEU A 31 13.972 -7.089 0.301 1.00 1.09 H new ATOM 494 N THR A 32 10.909 -9.258 -2.096 1.00 0.58 N ATOM 495 CA THR A 32 9.750 -10.173 -1.858 1.00 0.47 C ATOM 496 C THR A 32 9.001 -9.802 -0.572 1.00 0.47 C ATOM 497 O THR A 32 9.567 -9.725 0.500 1.00 0.62 O ATOM 498 CB THR A 32 10.256 -11.615 -1.766 1.00 0.52 C ATOM 499 OG1 THR A 32 11.470 -11.648 -1.027 1.00 0.58 O ATOM 500 CG2 THR A 32 10.498 -12.154 -3.178 1.00 0.53 C ATOM 0 H THR A 32 11.773 -9.728 -2.367 1.00 0.58 H new ATOM 0 HA THR A 32 9.055 -10.074 -2.691 1.00 0.47 H new ATOM 0 HB THR A 32 9.513 -12.233 -1.261 1.00 0.52 H new ATOM 0 HG1 THR A 32 11.386 -11.077 -0.235 1.00 0.58 H new ATOM 0 HG21 THR A 32 10.859 -13.181 -3.119 1.00 0.53 H new ATOM 0 HG22 THR A 32 9.565 -12.129 -3.742 1.00 0.53 H new ATOM 0 HG23 THR A 32 11.243 -11.537 -3.681 1.00 0.53 H new ATOM 508 N VAL A 33 7.720 -9.571 -0.691 1.00 0.55 N ATOM 509 CA VAL A 33 6.891 -9.202 0.490 1.00 0.57 C ATOM 510 C VAL A 33 5.757 -10.224 0.640 1.00 0.54 C ATOM 511 O VAL A 33 5.853 -11.339 0.165 1.00 0.49 O ATOM 512 CB VAL A 33 6.303 -7.804 0.276 1.00 0.60 C ATOM 513 CG1 VAL A 33 7.421 -6.834 -0.109 1.00 0.85 C ATOM 514 CG2 VAL A 33 5.263 -7.855 -0.844 1.00 0.33 C ATOM 0 H VAL A 33 7.207 -9.624 -1.571 1.00 0.55 H new ATOM 0 HA VAL A 33 7.503 -9.201 1.392 1.00 0.57 H new ATOM 0 HB VAL A 33 5.829 -7.464 1.197 1.00 0.60 H new ATOM 0 HG11 VAL A 33 7.003 -5.839 -0.261 1.00 0.85 H new ATOM 0 HG12 VAL A 33 8.162 -6.798 0.689 1.00 0.85 H new ATOM 0 HG13 VAL A 33 7.896 -7.173 -1.030 1.00 0.85 H new ATOM 0 HG21 VAL A 33 4.844 -6.860 -0.997 1.00 0.33 H new ATOM 0 HG22 VAL A 33 5.737 -8.195 -1.765 1.00 0.33 H new ATOM 0 HG23 VAL A 33 4.466 -8.546 -0.569 1.00 0.33 H new ATOM 524 N THR A 34 4.686 -9.860 1.294 1.00 0.63 N ATOM 525 CA THR A 34 3.562 -10.822 1.469 1.00 0.66 C ATOM 526 C THR A 34 2.561 -10.670 0.323 1.00 0.64 C ATOM 527 O THR A 34 2.410 -9.611 -0.253 1.00 0.83 O ATOM 528 CB THR A 34 2.859 -10.543 2.808 1.00 0.82 C ATOM 529 OG1 THR A 34 2.993 -11.677 3.654 1.00 0.80 O ATOM 530 CG2 THR A 34 1.370 -10.248 2.582 1.00 1.02 C ATOM 0 H THR A 34 4.542 -8.941 1.713 1.00 0.63 H new ATOM 0 HA THR A 34 3.954 -11.839 1.465 1.00 0.66 H new ATOM 0 HB THR A 34 3.322 -9.673 3.275 1.00 0.82 H new ATOM 0 HG1 THR A 34 2.547 -11.502 4.509 1.00 0.80 H new ATOM 0 HG21 THR A 34 0.888 -10.053 3.540 1.00 1.02 H new ATOM 0 HG22 THR A 34 1.266 -9.374 1.939 1.00 1.02 H new ATOM 0 HG23 THR A 34 0.897 -11.107 2.106 1.00 1.02 H new ATOM 538 N ASP A 35 1.863 -11.725 0.004 1.00 0.53 N ATOM 539 CA ASP A 35 0.851 -11.656 -1.085 1.00 0.47 C ATOM 540 C ASP A 35 -0.533 -11.852 -0.469 1.00 0.40 C ATOM 541 O ASP A 35 -0.914 -12.949 -0.116 1.00 0.39 O ATOM 542 CB ASP A 35 1.116 -12.761 -2.108 1.00 0.51 C ATOM 543 CG ASP A 35 0.249 -12.524 -3.346 1.00 0.54 C ATOM 544 OD1 ASP A 35 0.653 -11.737 -4.186 1.00 1.29 O ATOM 545 OD2 ASP A 35 -0.804 -13.133 -3.432 1.00 1.02 O ATOM 0 H ASP A 35 1.951 -12.636 0.454 1.00 0.53 H new ATOM 0 HA ASP A 35 0.908 -10.690 -1.587 1.00 0.47 H new ATOM 0 HB2 ASP A 35 2.170 -12.771 -2.385 1.00 0.51 H new ATOM 0 HB3 ASP A 35 0.892 -13.735 -1.674 1.00 0.51 H new ATOM 550 N ILE A 36 -1.286 -10.798 -0.324 1.00 0.45 N ATOM 551 CA ILE A 36 -2.638 -10.931 0.288 1.00 0.38 C ATOM 552 C ILE A 36 -3.701 -11.123 -0.800 1.00 0.36 C ATOM 553 O ILE A 36 -4.863 -10.827 -0.599 1.00 0.50 O ATOM 554 CB ILE A 36 -2.943 -9.670 1.100 1.00 0.35 C ATOM 555 CG1 ILE A 36 -3.305 -8.523 0.153 1.00 0.39 C ATOM 556 CG2 ILE A 36 -1.708 -9.280 1.917 1.00 0.36 C ATOM 557 CD1 ILE A 36 -3.318 -7.204 0.928 1.00 0.38 C ATOM 0 H ILE A 36 -1.025 -9.852 -0.602 1.00 0.45 H new ATOM 0 HA ILE A 36 -2.654 -11.803 0.941 1.00 0.38 H new ATOM 0 HB ILE A 36 -3.780 -9.866 1.770 1.00 0.35 H new ATOM 0 HG12 ILE A 36 -2.584 -8.470 -0.663 1.00 0.39 H new ATOM 0 HG13 ILE A 36 -4.282 -8.703 -0.296 1.00 0.39 H new ATOM 0 HG21 ILE A 36 -1.923 -8.382 2.496 1.00 0.36 H new ATOM 0 HG22 ILE A 36 -1.447 -10.094 2.593 1.00 0.36 H new ATOM 0 HG23 ILE A 36 -0.873 -9.086 1.244 1.00 0.36 H new ATOM 0 HD11 ILE A 36 -3.576 -6.388 0.253 1.00 0.38 H new ATOM 0 HD12 ILE A 36 -4.056 -7.260 1.728 1.00 0.38 H new ATOM 0 HD13 ILE A 36 -2.332 -7.023 1.355 1.00 0.38 H new ATOM 569 N PHE A 37 -3.324 -11.627 -1.945 1.00 0.24 N ATOM 570 CA PHE A 37 -4.321 -11.846 -3.029 1.00 0.27 C ATOM 571 C PHE A 37 -4.307 -13.321 -3.432 1.00 0.31 C ATOM 572 O PHE A 37 -4.522 -13.666 -4.578 1.00 0.44 O ATOM 573 CB PHE A 37 -3.961 -10.982 -4.238 1.00 0.30 C ATOM 574 CG PHE A 37 -3.987 -9.527 -3.839 1.00 0.24 C ATOM 575 CD1 PHE A 37 -5.207 -8.846 -3.764 1.00 0.42 C ATOM 576 CD2 PHE A 37 -2.793 -8.861 -3.542 1.00 0.25 C ATOM 577 CE1 PHE A 37 -5.234 -7.498 -3.393 1.00 0.43 C ATOM 578 CE2 PHE A 37 -2.819 -7.512 -3.169 1.00 0.19 C ATOM 579 CZ PHE A 37 -4.040 -6.831 -3.094 1.00 0.21 C ATOM 0 H PHE A 37 -2.367 -11.896 -2.175 1.00 0.24 H new ATOM 0 HA PHE A 37 -5.315 -11.572 -2.674 1.00 0.27 H new ATOM 0 HB2 PHE A 37 -2.972 -11.251 -4.610 1.00 0.30 H new ATOM 0 HB3 PHE A 37 -4.666 -11.161 -5.050 1.00 0.30 H new ATOM 0 HD1 PHE A 37 -6.128 -9.362 -3.993 1.00 0.42 H new ATOM 0 HD2 PHE A 37 -1.852 -9.387 -3.600 1.00 0.25 H new ATOM 0 HE1 PHE A 37 -6.175 -6.972 -3.337 1.00 0.43 H new ATOM 0 HE2 PHE A 37 -1.898 -6.997 -2.939 1.00 0.19 H new ATOM 0 HZ PHE A 37 -4.061 -5.791 -2.805 1.00 0.21 H new ATOM 589 N ALA A 38 -4.049 -14.193 -2.497 1.00 0.23 N ATOM 590 CA ALA A 38 -4.012 -15.648 -2.819 1.00 0.30 C ATOM 591 C ALA A 38 -5.437 -16.180 -2.985 1.00 0.48 C ATOM 592 O ALA A 38 -5.713 -16.981 -3.856 1.00 0.81 O ATOM 593 CB ALA A 38 -3.317 -16.402 -1.683 1.00 0.62 C ATOM 0 H ALA A 38 -3.862 -13.961 -1.522 1.00 0.23 H new ATOM 0 HA ALA A 38 -3.463 -15.796 -3.749 1.00 0.30 H new ATOM 0 HB1 ALA A 38 -3.289 -17.466 -1.916 1.00 0.62 H new ATOM 0 HB2 ALA A 38 -2.299 -16.029 -1.568 1.00 0.62 H new ATOM 0 HB3 ALA A 38 -3.867 -16.249 -0.755 1.00 0.62 H new ATOM 599 N ALA A 39 -6.343 -15.744 -2.155 1.00 0.65 N ATOM 600 CA ALA A 39 -7.749 -16.228 -2.264 1.00 1.23 C ATOM 601 C ALA A 39 -8.703 -15.146 -1.754 1.00 1.20 C ATOM 602 O ALA A 39 -8.903 -14.992 -0.566 1.00 0.97 O ATOM 603 CB ALA A 39 -7.919 -17.495 -1.422 1.00 1.61 C ATOM 0 H ALA A 39 -6.171 -15.074 -1.406 1.00 0.65 H new ATOM 0 HA ALA A 39 -7.976 -16.450 -3.307 1.00 1.23 H new ATOM 0 HB1 ALA A 39 -8.947 -17.849 -1.501 1.00 1.61 H new ATOM 0 HB2 ALA A 39 -7.240 -18.267 -1.785 1.00 1.61 H new ATOM 0 HB3 ALA A 39 -7.691 -17.272 -0.380 1.00 1.61 H new ATOM 609 N SER A 40 -9.294 -14.395 -2.644 1.00 1.58 N ATOM 610 CA SER A 40 -10.234 -13.324 -2.209 1.00 1.59 C ATOM 611 C SER A 40 -11.673 -13.775 -2.467 1.00 1.75 C ATOM 612 O SER A 40 -12.474 -13.042 -3.011 1.00 2.07 O ATOM 613 CB SER A 40 -9.953 -12.047 -2.998 1.00 1.68 C ATOM 614 OG SER A 40 -9.546 -12.390 -4.315 1.00 2.83 O ATOM 0 H SER A 40 -9.166 -14.477 -3.653 1.00 1.58 H new ATOM 0 HA SER A 40 -10.097 -13.131 -1.145 1.00 1.59 H new ATOM 0 HB2 SER A 40 -10.846 -11.423 -3.032 1.00 1.68 H new ATOM 0 HB3 SER A 40 -9.175 -11.464 -2.505 1.00 1.68 H new ATOM 0 HG SER A 40 -9.366 -11.573 -4.825 1.00 2.83 H new ATOM 620 N LYS A 41 -12.006 -14.976 -2.082 1.00 2.01 N ATOM 621 CA LYS A 41 -13.393 -15.474 -2.308 1.00 2.18 C ATOM 622 C LYS A 41 -14.366 -14.775 -1.351 1.00 1.89 C ATOM 623 O LYS A 41 -15.553 -14.717 -1.601 1.00 1.79 O ATOM 624 CB LYS A 41 -13.441 -16.984 -2.063 1.00 2.47 C ATOM 625 CG LYS A 41 -14.142 -17.668 -3.240 1.00 3.09 C ATOM 626 CD LYS A 41 -14.128 -19.184 -3.033 1.00 3.27 C ATOM 627 CE LYS A 41 -14.508 -19.879 -4.343 1.00 4.09 C ATOM 628 NZ LYS A 41 -13.331 -20.626 -4.870 1.00 4.42 N ATOM 0 H LYS A 41 -11.378 -15.634 -1.621 1.00 2.01 H new ATOM 0 HA LYS A 41 -13.683 -15.258 -3.336 1.00 2.18 H new ATOM 0 HB2 LYS A 41 -12.431 -17.377 -1.949 1.00 2.47 H new ATOM 0 HB3 LYS A 41 -13.973 -17.196 -1.135 1.00 2.47 H new ATOM 0 HG2 LYS A 41 -15.169 -17.311 -3.322 1.00 3.09 H new ATOM 0 HG3 LYS A 41 -13.640 -17.413 -4.173 1.00 3.09 H new ATOM 0 HD2 LYS A 41 -13.139 -19.509 -2.710 1.00 3.27 H new ATOM 0 HD3 LYS A 41 -14.828 -19.461 -2.245 1.00 3.27 H new ATOM 0 HE2 LYS A 41 -15.341 -20.562 -4.176 1.00 4.09 H new ATOM 0 HE3 LYS A 41 -14.842 -19.143 -5.074 1.00 4.09 H new ATOM 0 HZ1 LYS A 41 -13.589 -21.098 -5.760 1.00 4.42 H new ATOM 0 HZ2 LYS A 41 -12.549 -19.963 -5.044 1.00 4.42 H new ATOM 0 HZ3 LYS A 41 -13.032 -21.339 -4.174 1.00 4.42 H new ATOM 642 N ASP A 42 -13.883 -14.246 -0.257 1.00 1.77 N ATOM 643 CA ASP A 42 -14.799 -13.564 0.698 1.00 1.51 C ATOM 644 C ASP A 42 -14.036 -12.485 1.470 1.00 1.37 C ATOM 645 O ASP A 42 -13.883 -12.561 2.672 1.00 1.60 O ATOM 646 CB ASP A 42 -15.366 -14.589 1.682 1.00 1.60 C ATOM 647 CG ASP A 42 -14.224 -15.427 2.262 1.00 2.32 C ATOM 648 OD1 ASP A 42 -13.085 -15.007 2.138 1.00 3.35 O ATOM 649 OD2 ASP A 42 -14.510 -16.473 2.822 1.00 2.57 O ATOM 0 H ASP A 42 -12.900 -14.258 0.013 1.00 1.77 H new ATOM 0 HA ASP A 42 -15.614 -13.100 0.143 1.00 1.51 H new ATOM 0 HB2 ASP A 42 -15.902 -14.081 2.484 1.00 1.60 H new ATOM 0 HB3 ASP A 42 -16.085 -15.235 1.177 1.00 1.60 H new ATOM 654 N THR A 43 -13.564 -11.479 0.789 1.00 1.28 N ATOM 655 CA THR A 43 -12.821 -10.392 1.487 1.00 1.09 C ATOM 656 C THR A 43 -13.569 -9.070 1.301 1.00 0.57 C ATOM 657 O THR A 43 -14.685 -9.041 0.820 1.00 1.04 O ATOM 658 CB THR A 43 -11.413 -10.270 0.902 1.00 1.57 C ATOM 659 OG1 THR A 43 -11.342 -11.002 -0.314 1.00 1.78 O ATOM 660 CG2 THR A 43 -10.398 -10.828 1.899 1.00 1.63 C ATOM 0 H THR A 43 -13.660 -11.362 -0.220 1.00 1.28 H new ATOM 0 HA THR A 43 -12.748 -10.626 2.549 1.00 1.09 H new ATOM 0 HB THR A 43 -11.188 -9.222 0.706 1.00 1.57 H new ATOM 0 HG1 THR A 43 -10.957 -10.435 -1.015 1.00 1.78 H new ATOM 0 HG21 THR A 43 -9.394 -10.742 1.483 1.00 1.63 H new ATOM 0 HG22 THR A 43 -10.455 -10.264 2.830 1.00 1.63 H new ATOM 0 HG23 THR A 43 -10.620 -11.877 2.096 1.00 1.63 H new ATOM 668 N THR A 44 -12.967 -7.974 1.678 1.00 0.82 N ATOM 669 CA THR A 44 -13.654 -6.660 1.518 1.00 0.36 C ATOM 670 C THR A 44 -12.620 -5.561 1.286 1.00 0.38 C ATOM 671 O THR A 44 -11.430 -5.799 1.311 1.00 0.48 O ATOM 672 CB THR A 44 -14.459 -6.346 2.781 1.00 0.54 C ATOM 673 OG1 THR A 44 -14.060 -7.220 3.827 1.00 1.13 O ATOM 674 CG2 THR A 44 -15.951 -6.532 2.499 1.00 0.62 C ATOM 0 H THR A 44 -12.034 -7.931 2.088 1.00 0.82 H new ATOM 0 HA THR A 44 -14.326 -6.708 0.661 1.00 0.36 H new ATOM 0 HB THR A 44 -14.275 -5.314 3.080 1.00 0.54 H new ATOM 0 HG1 THR A 44 -14.575 -7.018 4.636 1.00 1.13 H new ATOM 0 HG21 THR A 44 -16.522 -6.308 3.400 1.00 0.62 H new ATOM 0 HG22 THR A 44 -16.257 -5.858 1.698 1.00 0.62 H new ATOM 0 HG23 THR A 44 -16.139 -7.563 2.197 1.00 0.62 H new ATOM 682 N GLU A 45 -13.068 -4.355 1.061 1.00 0.46 N ATOM 683 CA GLU A 45 -12.110 -3.242 0.831 1.00 0.49 C ATOM 684 C GLU A 45 -11.477 -2.854 2.166 1.00 0.42 C ATOM 685 O GLU A 45 -10.302 -2.559 2.243 1.00 0.44 O ATOM 686 CB GLU A 45 -12.848 -2.038 0.239 1.00 0.49 C ATOM 687 CG GLU A 45 -13.863 -1.504 1.251 1.00 0.30 C ATOM 688 CD GLU A 45 -14.886 -0.626 0.529 1.00 0.41 C ATOM 689 OE1 GLU A 45 -14.572 0.525 0.272 1.00 1.23 O ATOM 690 OE2 GLU A 45 -15.966 -1.118 0.244 1.00 1.05 O ATOM 0 H GLU A 45 -14.054 -4.095 1.027 1.00 0.46 H new ATOM 0 HA GLU A 45 -11.335 -3.559 0.133 1.00 0.49 H new ATOM 0 HB2 GLU A 45 -12.135 -1.256 -0.023 1.00 0.49 H new ATOM 0 HB3 GLU A 45 -13.356 -2.327 -0.681 1.00 0.49 H new ATOM 0 HG2 GLU A 45 -14.366 -2.332 1.750 1.00 0.30 H new ATOM 0 HG3 GLU A 45 -13.354 -0.928 2.024 1.00 0.30 H new ATOM 697 N LYS A 46 -12.246 -2.862 3.221 1.00 0.35 N ATOM 698 CA LYS A 46 -11.685 -2.504 4.555 1.00 0.28 C ATOM 699 C LYS A 46 -10.747 -3.620 5.023 1.00 0.31 C ATOM 700 O LYS A 46 -9.793 -3.383 5.740 1.00 0.16 O ATOM 701 CB LYS A 46 -12.823 -2.321 5.568 1.00 0.23 C ATOM 702 CG LYS A 46 -13.780 -3.514 5.506 1.00 0.79 C ATOM 703 CD LYS A 46 -14.151 -3.950 6.925 1.00 0.85 C ATOM 704 CE LYS A 46 -15.323 -3.105 7.427 1.00 0.38 C ATOM 705 NZ LYS A 46 -15.365 -3.146 8.917 1.00 1.41 N ATOM 0 H LYS A 46 -13.238 -3.101 3.217 1.00 0.35 H new ATOM 0 HA LYS A 46 -11.129 -1.570 4.477 1.00 0.28 H new ATOM 0 HB2 LYS A 46 -12.413 -2.226 6.574 1.00 0.23 H new ATOM 0 HB3 LYS A 46 -13.364 -1.399 5.356 1.00 0.23 H new ATOM 0 HG2 LYS A 46 -14.679 -3.244 4.951 1.00 0.79 H new ATOM 0 HG3 LYS A 46 -13.312 -4.341 4.971 1.00 0.79 H new ATOM 0 HD2 LYS A 46 -14.420 -5.006 6.934 1.00 0.85 H new ATOM 0 HD3 LYS A 46 -13.294 -3.834 7.589 1.00 0.85 H new ATOM 0 HE2 LYS A 46 -15.216 -2.076 7.084 1.00 0.38 H new ATOM 0 HE3 LYS A 46 -16.259 -3.482 7.016 1.00 0.38 H new ATOM 0 HZ1 LYS A 46 -16.219 -2.657 9.254 1.00 1.41 H new ATOM 0 HZ2 LYS A 46 -15.384 -4.135 9.237 1.00 1.41 H new ATOM 0 HZ3 LYS A 46 -14.522 -2.674 9.301 1.00 1.41 H new ATOM 719 N GLU A 47 -10.998 -4.833 4.611 1.00 0.53 N ATOM 720 CA GLU A 47 -10.111 -5.955 5.021 1.00 0.61 C ATOM 721 C GLU A 47 -8.818 -5.868 4.215 1.00 0.61 C ATOM 722 O GLU A 47 -7.754 -6.213 4.687 1.00 0.60 O ATOM 723 CB GLU A 47 -10.804 -7.288 4.737 1.00 0.81 C ATOM 724 CG GLU A 47 -11.688 -7.671 5.927 1.00 0.94 C ATOM 725 CD GLU A 47 -12.403 -8.990 5.628 1.00 1.69 C ATOM 726 OE1 GLU A 47 -12.720 -9.221 4.472 1.00 2.83 O ATOM 727 OE2 GLU A 47 -12.621 -9.748 6.559 1.00 1.40 O ATOM 0 H GLU A 47 -11.779 -5.094 4.009 1.00 0.53 H new ATOM 0 HA GLU A 47 -9.893 -5.890 6.087 1.00 0.61 H new ATOM 0 HB2 GLU A 47 -11.408 -7.210 3.833 1.00 0.81 H new ATOM 0 HB3 GLU A 47 -10.061 -8.065 4.558 1.00 0.81 H new ATOM 0 HG2 GLU A 47 -11.081 -7.770 6.827 1.00 0.94 H new ATOM 0 HG3 GLU A 47 -12.418 -6.885 6.119 1.00 0.94 H new ATOM 734 N THR A 48 -8.904 -5.405 2.998 1.00 0.78 N ATOM 735 CA THR A 48 -7.681 -5.287 2.158 1.00 0.89 C ATOM 736 C THR A 48 -6.847 -4.090 2.628 1.00 0.75 C ATOM 737 O THR A 48 -5.644 -4.059 2.461 1.00 0.78 O ATOM 738 CB THR A 48 -8.084 -5.081 0.697 1.00 1.09 C ATOM 739 OG1 THR A 48 -8.322 -6.344 0.091 1.00 1.36 O ATOM 740 CG2 THR A 48 -6.961 -4.359 -0.049 1.00 1.80 C ATOM 0 H THR A 48 -9.769 -5.103 2.550 1.00 0.78 H new ATOM 0 HA THR A 48 -7.091 -6.199 2.250 1.00 0.89 H new ATOM 0 HB THR A 48 -8.991 -4.478 0.652 1.00 1.09 H new ATOM 0 HG1 THR A 48 -8.582 -6.214 -0.845 1.00 1.36 H new ATOM 0 HG21 THR A 48 -7.250 -4.213 -1.090 1.00 1.80 H new ATOM 0 HG22 THR A 48 -6.779 -3.390 0.416 1.00 1.80 H new ATOM 0 HG23 THR A 48 -6.052 -4.958 -0.006 1.00 1.80 H new ATOM 748 N PHE A 49 -7.473 -3.101 3.209 1.00 0.64 N ATOM 749 CA PHE A 49 -6.707 -1.911 3.679 1.00 0.59 C ATOM 750 C PHE A 49 -5.952 -2.252 4.964 1.00 0.40 C ATOM 751 O PHE A 49 -4.853 -1.789 5.185 1.00 0.47 O ATOM 752 CB PHE A 49 -7.664 -0.745 3.958 1.00 0.59 C ATOM 753 CG PHE A 49 -8.308 -0.268 2.674 1.00 0.67 C ATOM 754 CD1 PHE A 49 -7.552 -0.157 1.499 1.00 0.36 C ATOM 755 CD2 PHE A 49 -9.669 0.071 2.662 1.00 1.37 C ATOM 756 CE1 PHE A 49 -8.156 0.287 0.320 1.00 0.32 C ATOM 757 CE2 PHE A 49 -10.270 0.516 1.479 1.00 1.50 C ATOM 758 CZ PHE A 49 -9.514 0.624 0.307 1.00 0.88 C ATOM 0 H PHE A 49 -8.478 -3.066 3.378 1.00 0.64 H new ATOM 0 HA PHE A 49 -5.999 -1.624 2.901 1.00 0.59 H new ATOM 0 HB2 PHE A 49 -8.434 -1.059 4.663 1.00 0.59 H new ATOM 0 HB3 PHE A 49 -7.120 0.076 4.425 1.00 0.59 H new ATOM 0 HD1 PHE A 49 -6.503 -0.415 1.505 1.00 0.36 H new ATOM 0 HD2 PHE A 49 -10.254 -0.011 3.566 1.00 1.37 H new ATOM 0 HE1 PHE A 49 -7.572 0.370 -0.585 1.00 0.32 H new ATOM 0 HE2 PHE A 49 -11.318 0.776 1.471 1.00 1.50 H new ATOM 0 HZ PHE A 49 -9.978 0.967 -0.606 1.00 0.88 H new ATOM 768 N CYS A 50 -6.533 -3.047 5.820 1.00 0.21 N ATOM 769 CA CYS A 50 -5.837 -3.397 7.092 1.00 0.06 C ATOM 770 C CYS A 50 -4.722 -4.408 6.817 1.00 0.14 C ATOM 771 O CYS A 50 -3.594 -4.216 7.215 1.00 0.24 O ATOM 772 CB CYS A 50 -6.845 -4.000 8.073 1.00 0.17 C ATOM 773 SG CYS A 50 -6.271 -3.739 9.770 1.00 1.21 S ATOM 0 H CYS A 50 -7.454 -3.468 5.696 1.00 0.21 H new ATOM 0 HA CYS A 50 -5.401 -2.495 7.522 1.00 0.06 H new ATOM 0 HB2 CYS A 50 -7.823 -3.539 7.934 1.00 0.17 H new ATOM 0 HB3 CYS A 50 -6.964 -5.066 7.878 1.00 0.17 H new ATOM 778 N ARG A 51 -5.027 -5.487 6.151 1.00 0.12 N ATOM 779 CA ARG A 51 -3.975 -6.505 5.865 1.00 0.20 C ATOM 780 C ARG A 51 -2.814 -5.845 5.116 1.00 0.13 C ATOM 781 O ARG A 51 -1.666 -5.929 5.518 1.00 0.16 O ATOM 782 CB ARG A 51 -4.569 -7.622 5.002 1.00 0.30 C ATOM 783 CG ARG A 51 -5.524 -8.470 5.846 1.00 0.73 C ATOM 784 CD ARG A 51 -6.370 -9.355 4.928 1.00 0.95 C ATOM 785 NE ARG A 51 -5.645 -10.631 4.659 1.00 1.15 N ATOM 786 CZ ARG A 51 -6.268 -11.670 4.149 1.00 1.36 C ATOM 787 NH1 ARG A 51 -7.549 -11.627 3.870 1.00 1.26 N ATOM 788 NH2 ARG A 51 -5.599 -12.766 3.917 1.00 1.93 N ATOM 0 H ARG A 51 -5.956 -5.708 5.793 1.00 0.12 H new ATOM 0 HA ARG A 51 -3.610 -6.924 6.803 1.00 0.20 H new ATOM 0 HB2 ARG A 51 -5.101 -7.195 4.152 1.00 0.30 H new ATOM 0 HB3 ARG A 51 -3.772 -8.247 4.598 1.00 0.30 H new ATOM 0 HG2 ARG A 51 -4.958 -9.088 6.544 1.00 0.73 H new ATOM 0 HG3 ARG A 51 -6.169 -7.825 6.442 1.00 0.73 H new ATOM 0 HD2 ARG A 51 -7.334 -9.563 5.393 1.00 0.95 H new ATOM 0 HD3 ARG A 51 -6.574 -8.836 3.991 1.00 0.95 H new ATOM 0 HE ARG A 51 -4.650 -10.698 4.874 1.00 1.15 H new ATOM 0 HH11 ARG A 51 -8.081 -10.776 4.048 1.00 1.26 H new ATOM 0 HH12 ARG A 51 -8.013 -12.445 3.475 1.00 1.26 H new ATOM 0 HH21 ARG A 51 -4.603 -12.810 4.131 1.00 1.93 H new ATOM 0 HH22 ARG A 51 -6.072 -13.578 3.521 1.00 1.93 H new ATOM 802 N ALA A 52 -3.102 -5.188 4.027 1.00 0.11 N ATOM 803 CA ALA A 52 -2.018 -4.524 3.255 1.00 0.09 C ATOM 804 C ALA A 52 -1.392 -3.417 4.102 1.00 0.08 C ATOM 805 O ALA A 52 -0.240 -3.082 3.936 1.00 0.23 O ATOM 806 CB ALA A 52 -2.597 -3.920 1.977 1.00 0.20 C ATOM 0 H ALA A 52 -4.040 -5.083 3.640 1.00 0.11 H new ATOM 0 HA ALA A 52 -1.256 -5.259 2.997 1.00 0.09 H new ATOM 0 HB1 ALA A 52 -1.802 -3.434 1.412 1.00 0.20 H new ATOM 0 HB2 ALA A 52 -3.043 -4.709 1.371 1.00 0.20 H new ATOM 0 HB3 ALA A 52 -3.360 -3.186 2.235 1.00 0.20 H new ATOM 812 N ALA A 53 -2.137 -2.848 5.012 1.00 0.07 N ATOM 813 CA ALA A 53 -1.564 -1.768 5.867 1.00 0.08 C ATOM 814 C ALA A 53 -0.508 -2.375 6.793 1.00 0.14 C ATOM 815 O ALA A 53 0.446 -1.725 7.168 1.00 0.29 O ATOM 816 CB ALA A 53 -2.674 -1.125 6.700 1.00 0.07 C ATOM 0 H ALA A 53 -3.112 -3.082 5.200 1.00 0.07 H new ATOM 0 HA ALA A 53 -1.106 -1.004 5.238 1.00 0.08 H new ATOM 0 HB1 ALA A 53 -2.251 -0.337 7.323 1.00 0.07 H new ATOM 0 HB2 ALA A 53 -3.426 -0.699 6.036 1.00 0.07 H new ATOM 0 HB3 ALA A 53 -3.136 -1.881 7.335 1.00 0.07 H new ATOM 822 N THR A 54 -0.660 -3.623 7.150 1.00 0.19 N ATOM 823 CA THR A 54 0.347 -4.276 8.030 1.00 0.30 C ATOM 824 C THR A 54 1.630 -4.448 7.225 1.00 0.19 C ATOM 825 O THR A 54 2.708 -4.088 7.657 1.00 0.20 O ATOM 826 CB THR A 54 -0.169 -5.646 8.480 1.00 0.45 C ATOM 827 OG1 THR A 54 -0.932 -5.497 9.669 1.00 0.53 O ATOM 828 CG2 THR A 54 1.016 -6.579 8.742 1.00 0.60 C ATOM 0 H THR A 54 -1.440 -4.217 6.869 1.00 0.19 H new ATOM 0 HA THR A 54 0.531 -3.667 8.915 1.00 0.30 H new ATOM 0 HB THR A 54 -0.797 -6.073 7.698 1.00 0.45 H new ATOM 0 HG1 THR A 54 -1.264 -6.373 9.957 1.00 0.53 H new ATOM 0 HG21 THR A 54 0.648 -7.554 9.062 1.00 0.60 H new ATOM 0 HG22 THR A 54 1.598 -6.693 7.828 1.00 0.60 H new ATOM 0 HG23 THR A 54 1.647 -6.155 9.523 1.00 0.60 H new ATOM 836 N VAL A 55 1.514 -4.976 6.037 1.00 0.13 N ATOM 837 CA VAL A 55 2.720 -5.141 5.182 1.00 0.08 C ATOM 838 C VAL A 55 3.284 -3.749 4.847 1.00 0.08 C ATOM 839 O VAL A 55 4.446 -3.599 4.524 1.00 0.15 O ATOM 840 CB VAL A 55 2.329 -5.875 3.896 1.00 0.19 C ATOM 841 CG1 VAL A 55 3.575 -6.122 3.042 1.00 0.22 C ATOM 842 CG2 VAL A 55 1.694 -7.221 4.257 1.00 0.21 C ATOM 0 H VAL A 55 0.639 -5.299 5.624 1.00 0.13 H new ATOM 0 HA VAL A 55 3.479 -5.723 5.705 1.00 0.08 H new ATOM 0 HB VAL A 55 1.619 -5.267 3.335 1.00 0.19 H new ATOM 0 HG11 VAL A 55 3.292 -6.644 2.128 1.00 0.22 H new ATOM 0 HG12 VAL A 55 4.036 -5.168 2.787 1.00 0.22 H new ATOM 0 HG13 VAL A 55 4.285 -6.730 3.602 1.00 0.22 H new ATOM 0 HG21 VAL A 55 1.414 -7.747 3.345 1.00 0.21 H new ATOM 0 HG22 VAL A 55 2.410 -7.822 4.818 1.00 0.21 H new ATOM 0 HG23 VAL A 55 0.806 -7.053 4.866 1.00 0.21 H new ATOM 852 N LEU A 56 2.466 -2.726 4.941 1.00 0.25 N ATOM 853 CA LEU A 56 2.943 -1.344 4.650 1.00 0.37 C ATOM 854 C LEU A 56 3.716 -0.817 5.862 1.00 0.42 C ATOM 855 O LEU A 56 4.609 -0.004 5.736 1.00 0.53 O ATOM 856 CB LEU A 56 1.737 -0.437 4.384 1.00 0.43 C ATOM 857 CG LEU A 56 1.143 -0.753 3.010 1.00 0.88 C ATOM 858 CD1 LEU A 56 -0.322 -0.318 2.970 1.00 1.87 C ATOM 859 CD2 LEU A 56 1.920 0.002 1.933 1.00 1.05 C ATOM 0 H LEU A 56 1.484 -2.794 5.209 1.00 0.25 H new ATOM 0 HA LEU A 56 3.592 -1.354 3.774 1.00 0.37 H new ATOM 0 HB2 LEU A 56 0.984 -0.582 5.158 1.00 0.43 H new ATOM 0 HB3 LEU A 56 2.041 0.609 4.427 1.00 0.43 H new ATOM 0 HG LEU A 56 1.210 -1.826 2.828 1.00 0.88 H new ATOM 0 HD11 LEU A 56 -0.742 -0.544 1.990 1.00 1.87 H new ATOM 0 HD12 LEU A 56 -0.882 -0.853 3.737 1.00 1.87 H new ATOM 0 HD13 LEU A 56 -0.388 0.754 3.154 1.00 1.87 H new ATOM 0 HD21 LEU A 56 1.497 -0.223 0.954 1.00 1.05 H new ATOM 0 HD22 LEU A 56 1.853 1.074 2.120 1.00 1.05 H new ATOM 0 HD23 LEU A 56 2.966 -0.305 1.956 1.00 1.05 H new ATOM 871 N ARG A 57 3.377 -1.279 7.036 1.00 0.38 N ATOM 872 CA ARG A 57 4.086 -0.817 8.261 1.00 0.46 C ATOM 873 C ARG A 57 5.506 -1.378 8.254 1.00 0.50 C ATOM 874 O ARG A 57 6.458 -0.690 8.564 1.00 0.60 O ATOM 875 CB ARG A 57 3.343 -1.322 9.500 1.00 0.45 C ATOM 876 CG ARG A 57 2.806 -0.132 10.297 1.00 1.17 C ATOM 877 CD ARG A 57 2.070 -0.636 11.541 1.00 1.23 C ATOM 878 NE ARG A 57 1.782 0.514 12.445 1.00 1.80 N ATOM 879 CZ ARG A 57 0.917 0.403 13.427 1.00 2.20 C ATOM 880 NH1 ARG A 57 0.283 -0.723 13.652 1.00 2.20 N ATOM 881 NH2 ARG A 57 0.685 1.433 14.194 1.00 2.77 N ATOM 0 H ARG A 57 2.635 -1.960 7.198 1.00 0.38 H new ATOM 0 HA ARG A 57 4.120 0.272 8.280 1.00 0.46 H new ATOM 0 HB2 ARG A 57 2.522 -1.974 9.203 1.00 0.45 H new ATOM 0 HB3 ARG A 57 4.013 -1.916 10.121 1.00 0.45 H new ATOM 0 HG2 ARG A 57 3.627 0.523 10.588 1.00 1.17 H new ATOM 0 HG3 ARG A 57 2.131 0.459 9.677 1.00 1.17 H new ATOM 0 HD2 ARG A 57 1.141 -1.128 11.253 1.00 1.23 H new ATOM 0 HD3 ARG A 57 2.676 -1.378 12.060 1.00 1.23 H new ATOM 0 HE ARG A 57 2.264 1.401 12.299 1.00 1.80 H new ATOM 0 HH11 ARG A 57 0.458 -1.534 13.059 1.00 2.20 H new ATOM 0 HH12 ARG A 57 -0.385 -0.788 14.420 1.00 2.20 H new ATOM 0 HH21 ARG A 57 1.173 2.313 14.028 1.00 2.77 H new ATOM 0 HH22 ARG A 57 0.015 1.358 14.960 1.00 2.77 H new ATOM 895 N GLN A 58 5.657 -2.622 7.894 1.00 0.43 N ATOM 896 CA GLN A 58 7.018 -3.221 7.858 1.00 0.48 C ATOM 897 C GLN A 58 7.810 -2.593 6.712 1.00 0.52 C ATOM 898 O GLN A 58 9.004 -2.393 6.803 1.00 0.62 O ATOM 899 CB GLN A 58 6.907 -4.731 7.637 1.00 0.42 C ATOM 900 CG GLN A 58 7.405 -5.464 8.882 1.00 0.69 C ATOM 901 CD GLN A 58 8.921 -5.294 8.998 1.00 1.58 C ATOM 902 OE1 GLN A 58 9.650 -5.594 8.073 1.00 1.98 O ATOM 903 NE2 GLN A 58 9.430 -4.823 10.104 1.00 2.81 N ATOM 0 H GLN A 58 4.898 -3.248 7.624 1.00 0.43 H new ATOM 0 HA GLN A 58 7.528 -3.033 8.803 1.00 0.48 H new ATOM 0 HB2 GLN A 58 5.872 -5.004 7.430 1.00 0.42 H new ATOM 0 HB3 GLN A 58 7.495 -5.027 6.768 1.00 0.42 H new ATOM 0 HG2 GLN A 58 6.914 -5.068 9.771 1.00 0.69 H new ATOM 0 HG3 GLN A 58 7.150 -6.522 8.821 1.00 0.69 H new ATOM 0 HE21 GLN A 58 8.818 -4.571 10.880 1.00 2.81 H new ATOM 0 HE22 GLN A 58 10.440 -4.707 10.192 1.00 2.81 H new ATOM 912 N PHE A 59 7.148 -2.278 5.634 1.00 0.46 N ATOM 913 CA PHE A 59 7.851 -1.659 4.474 1.00 0.50 C ATOM 914 C PHE A 59 8.014 -0.145 4.691 1.00 0.56 C ATOM 915 O PHE A 59 8.729 0.518 3.964 1.00 0.92 O ATOM 916 CB PHE A 59 7.024 -1.913 3.207 1.00 0.68 C ATOM 917 CG PHE A 59 7.489 -1.003 2.093 1.00 0.50 C ATOM 918 CD1 PHE A 59 8.521 -1.410 1.238 1.00 1.03 C ATOM 919 CD2 PHE A 59 6.888 0.250 1.916 1.00 0.77 C ATOM 920 CE1 PHE A 59 8.950 -0.566 0.206 1.00 1.18 C ATOM 921 CE2 PHE A 59 7.318 1.094 0.884 1.00 1.04 C ATOM 922 CZ PHE A 59 8.348 0.687 0.030 1.00 1.05 C ATOM 0 H PHE A 59 6.147 -2.423 5.505 1.00 0.46 H new ATOM 0 HA PHE A 59 8.842 -2.101 4.372 1.00 0.50 H new ATOM 0 HB2 PHE A 59 7.123 -2.955 2.902 1.00 0.68 H new ATOM 0 HB3 PHE A 59 5.968 -1.740 3.412 1.00 0.68 H new ATOM 0 HD1 PHE A 59 8.986 -2.375 1.375 1.00 1.03 H new ATOM 0 HD2 PHE A 59 6.093 0.565 2.575 1.00 0.77 H new ATOM 0 HE1 PHE A 59 9.745 -0.881 -0.454 1.00 1.18 H new ATOM 0 HE2 PHE A 59 6.854 2.060 0.748 1.00 1.04 H new ATOM 0 HZ PHE A 59 8.679 1.338 -0.765 1.00 1.05 H new ATOM 932 N TYR A 60 7.358 0.420 5.673 1.00 0.80 N ATOM 933 CA TYR A 60 7.485 1.889 5.894 1.00 1.02 C ATOM 934 C TYR A 60 8.640 2.198 6.847 1.00 0.62 C ATOM 935 O TYR A 60 9.436 3.078 6.597 1.00 0.60 O ATOM 936 CB TYR A 60 6.178 2.426 6.487 1.00 1.55 C ATOM 937 CG TYR A 60 6.480 3.533 7.470 1.00 0.83 C ATOM 938 CD1 TYR A 60 7.022 4.742 7.018 1.00 0.71 C ATOM 939 CD2 TYR A 60 6.215 3.351 8.835 1.00 1.40 C ATOM 940 CE1 TYR A 60 7.299 5.770 7.929 1.00 1.15 C ATOM 941 CE2 TYR A 60 6.493 4.379 9.745 1.00 1.67 C ATOM 942 CZ TYR A 60 7.034 5.588 9.293 1.00 1.53 C ATOM 943 OH TYR A 60 7.306 6.601 10.190 1.00 2.34 O ATOM 0 H TYR A 60 6.745 -0.069 6.325 1.00 0.80 H new ATOM 0 HA TYR A 60 7.688 2.369 4.937 1.00 1.02 H new ATOM 0 HB2 TYR A 60 5.533 2.799 5.691 1.00 1.55 H new ATOM 0 HB3 TYR A 60 5.636 1.622 6.985 1.00 1.55 H new ATOM 0 HD1 TYR A 60 7.227 4.882 5.967 1.00 0.71 H new ATOM 0 HD2 TYR A 60 5.797 2.419 9.184 1.00 1.40 H new ATOM 0 HE1 TYR A 60 7.717 6.703 7.580 1.00 1.15 H new ATOM 0 HE2 TYR A 60 6.290 4.238 10.796 1.00 1.67 H new ATOM 0 HH TYR A 60 7.063 6.312 11.094 1.00 2.34 H new ATOM 953 N SER A 61 8.728 1.508 7.948 1.00 0.89 N ATOM 954 CA SER A 61 9.824 1.795 8.915 1.00 1.00 C ATOM 955 C SER A 61 11.050 0.920 8.626 1.00 0.72 C ATOM 956 O SER A 61 12.164 1.278 8.949 1.00 0.50 O ATOM 957 CB SER A 61 9.330 1.517 10.334 1.00 1.71 C ATOM 958 OG SER A 61 7.912 1.606 10.363 1.00 1.81 O ATOM 0 H SER A 61 8.091 0.760 8.221 1.00 0.89 H new ATOM 0 HA SER A 61 10.112 2.842 8.814 1.00 1.00 H new ATOM 0 HB2 SER A 61 9.650 0.526 10.655 1.00 1.71 H new ATOM 0 HB3 SER A 61 9.765 2.234 11.030 1.00 1.71 H new ATOM 0 HG SER A 61 7.636 2.515 10.122 1.00 1.81 H new ATOM 964 N HIS A 62 10.857 -0.238 8.055 1.00 0.80 N ATOM 965 CA HIS A 62 12.020 -1.136 7.793 1.00 0.71 C ATOM 966 C HIS A 62 12.622 -0.899 6.401 1.00 0.63 C ATOM 967 O HIS A 62 13.768 -0.518 6.271 1.00 0.66 O ATOM 968 CB HIS A 62 11.568 -2.591 7.901 1.00 1.00 C ATOM 969 CG HIS A 62 12.745 -3.451 8.267 1.00 0.44 C ATOM 970 ND1 HIS A 62 14.052 -3.026 8.087 1.00 1.57 N ATOM 971 CD2 HIS A 62 12.830 -4.710 8.805 1.00 1.27 C ATOM 972 CE1 HIS A 62 14.861 -4.014 8.510 1.00 2.13 C ATOM 973 NE2 HIS A 62 14.167 -5.065 8.958 1.00 1.93 N ATOM 0 H HIS A 62 9.950 -0.600 7.760 1.00 0.80 H new ATOM 0 HA HIS A 62 12.787 -0.915 8.535 1.00 0.71 H new ATOM 0 HB2 HIS A 62 10.786 -2.686 8.654 1.00 1.00 H new ATOM 0 HB3 HIS A 62 11.141 -2.922 6.954 1.00 1.00 H new ATOM 0 HD2 HIS A 62 11.987 -5.331 9.070 1.00 1.27 H new ATOM 0 HE1 HIS A 62 15.940 -3.964 8.490 1.00 2.13 H new ATOM 0 HE2 HIS A 62 14.537 -5.939 9.332 1.00 1.93 H new ATOM 981 N HIS A 63 11.876 -1.160 5.361 1.00 0.62 N ATOM 982 CA HIS A 63 12.430 -0.990 3.983 1.00 0.72 C ATOM 983 C HIS A 63 12.953 0.434 3.776 1.00 0.46 C ATOM 984 O HIS A 63 13.833 0.664 2.970 1.00 0.64 O ATOM 985 CB HIS A 63 11.339 -1.296 2.956 1.00 0.88 C ATOM 986 CG HIS A 63 11.069 -2.777 2.943 1.00 1.21 C ATOM 987 ND1 HIS A 63 11.144 -3.534 1.784 1.00 2.01 N ATOM 988 CD2 HIS A 63 10.729 -3.654 3.943 1.00 1.57 C ATOM 989 CE1 HIS A 63 10.855 -4.807 2.113 1.00 2.06 C ATOM 990 NE2 HIS A 63 10.594 -4.936 3.417 1.00 1.83 N ATOM 0 H HIS A 63 10.909 -1.483 5.404 1.00 0.62 H new ATOM 0 HA HIS A 63 13.263 -1.681 3.854 1.00 0.72 H new ATOM 0 HB2 HIS A 63 10.428 -0.751 3.203 1.00 0.88 H new ATOM 0 HB3 HIS A 63 11.651 -0.963 1.966 1.00 0.88 H new ATOM 0 HD2 HIS A 63 10.588 -3.390 4.981 1.00 1.57 H new ATOM 0 HE1 HIS A 63 10.836 -5.625 1.408 1.00 2.06 H new ATOM 0 HE2 HIS A 63 10.349 -5.789 3.919 1.00 1.83 H new ATOM 998 N GLU A 64 12.429 1.391 4.485 1.00 0.65 N ATOM 999 CA GLU A 64 12.913 2.790 4.307 1.00 0.51 C ATOM 1000 C GLU A 64 14.364 2.894 4.784 1.00 0.54 C ATOM 1001 O GLU A 64 15.179 3.561 4.179 1.00 0.90 O ATOM 1002 CB GLU A 64 12.035 3.740 5.122 1.00 0.63 C ATOM 1003 CG GLU A 64 12.906 4.808 5.790 1.00 0.55 C ATOM 1004 CD GLU A 64 12.016 5.901 6.381 1.00 1.02 C ATOM 1005 OE1 GLU A 64 10.869 5.609 6.676 1.00 1.62 O ATOM 1006 OE2 GLU A 64 12.496 7.013 6.529 1.00 1.87 O ATOM 0 H GLU A 64 11.690 1.269 5.177 1.00 0.65 H new ATOM 0 HA GLU A 64 12.860 3.062 3.253 1.00 0.51 H new ATOM 0 HB2 GLU A 64 11.297 4.213 4.474 1.00 0.63 H new ATOM 0 HB3 GLU A 64 11.484 3.181 5.879 1.00 0.63 H new ATOM 0 HG2 GLU A 64 13.514 4.357 6.574 1.00 0.55 H new ATOM 0 HG3 GLU A 64 13.593 5.239 5.062 1.00 0.55 H new ATOM 1013 N LYS A 65 14.693 2.243 5.868 1.00 0.75 N ATOM 1014 CA LYS A 65 16.091 2.313 6.383 1.00 1.02 C ATOM 1015 C LYS A 65 16.887 1.101 5.890 1.00 1.10 C ATOM 1016 O LYS A 65 17.845 0.686 6.511 1.00 1.15 O ATOM 1017 CB LYS A 65 16.069 2.321 7.915 1.00 1.36 C ATOM 1018 CG LYS A 65 17.249 3.140 8.441 1.00 1.44 C ATOM 1019 CD LYS A 65 16.784 4.563 8.760 1.00 1.12 C ATOM 1020 CE LYS A 65 17.908 5.552 8.445 1.00 0.74 C ATOM 1021 NZ LYS A 65 18.320 6.255 9.694 1.00 1.19 N ATOM 0 H LYS A 65 14.055 1.667 6.418 1.00 0.75 H new ATOM 0 HA LYS A 65 16.564 3.225 6.019 1.00 1.02 H new ATOM 0 HB2 LYS A 65 15.131 2.745 8.273 1.00 1.36 H new ATOM 0 HB3 LYS A 65 16.123 1.301 8.295 1.00 1.36 H new ATOM 0 HG2 LYS A 65 17.660 2.672 9.335 1.00 1.44 H new ATOM 0 HG3 LYS A 65 18.047 3.165 7.699 1.00 1.44 H new ATOM 0 HD2 LYS A 65 15.897 4.806 8.175 1.00 1.12 H new ATOM 0 HD3 LYS A 65 16.504 4.638 9.811 1.00 1.12 H new ATOM 0 HE2 LYS A 65 18.760 5.025 8.014 1.00 0.74 H new ATOM 0 HE3 LYS A 65 17.572 6.276 7.702 1.00 0.74 H new ATOM 0 HZ1 LYS A 65 19.084 6.927 9.478 1.00 1.19 H new ATOM 0 HZ2 LYS A 65 17.506 6.770 10.087 1.00 1.19 H new ATOM 0 HZ3 LYS A 65 18.657 5.559 10.389 1.00 1.19 H new ATOM 1035 N ASP A 66 16.510 0.534 4.776 1.00 1.13 N ATOM 1036 CA ASP A 66 17.260 -0.639 4.252 1.00 1.25 C ATOM 1037 C ASP A 66 18.391 -0.143 3.351 1.00 1.10 C ATOM 1038 O ASP A 66 18.158 0.414 2.297 1.00 1.09 O ATOM 1039 CB ASP A 66 16.318 -1.538 3.449 1.00 1.15 C ATOM 1040 CG ASP A 66 16.599 -3.002 3.792 1.00 1.45 C ATOM 1041 OD1 ASP A 66 16.511 -3.343 4.960 1.00 1.91 O ATOM 1042 OD2 ASP A 66 16.897 -3.757 2.882 1.00 1.74 O ATOM 0 H ASP A 66 15.717 0.833 4.209 1.00 1.13 H new ATOM 0 HA ASP A 66 17.674 -1.211 5.082 1.00 1.25 H new ATOM 0 HB2 ASP A 66 15.281 -1.292 3.677 1.00 1.15 H new ATOM 0 HB3 ASP A 66 16.459 -1.370 2.381 1.00 1.15 H new ATOM 1047 N THR A 67 19.614 -0.332 3.764 1.00 1.29 N ATOM 1048 CA THR A 67 20.763 0.135 2.938 1.00 1.46 C ATOM 1049 C THR A 67 20.642 -0.419 1.515 1.00 1.25 C ATOM 1050 O THR A 67 21.151 0.154 0.573 1.00 1.39 O ATOM 1051 CB THR A 67 22.071 -0.353 3.565 1.00 1.81 C ATOM 1052 OG1 THR A 67 23.135 -0.153 2.645 1.00 0.52 O ATOM 1053 CG2 THR A 67 21.953 -1.838 3.900 1.00 3.07 C ATOM 0 H THR A 67 19.868 -0.790 4.639 1.00 1.29 H new ATOM 0 HA THR A 67 20.758 1.224 2.900 1.00 1.46 H new ATOM 0 HB THR A 67 22.271 0.206 4.479 1.00 1.81 H new ATOM 0 HG1 THR A 67 23.975 -0.463 3.044 1.00 0.52 H new ATOM 0 HG21 THR A 67 22.885 -2.185 4.347 1.00 3.07 H new ATOM 0 HG22 THR A 67 21.135 -1.988 4.604 1.00 3.07 H new ATOM 0 HG23 THR A 67 21.755 -2.402 2.988 1.00 3.07 H new ATOM 1061 N ARG A 68 19.979 -1.530 1.349 1.00 1.02 N ATOM 1062 CA ARG A 68 19.835 -2.113 -0.014 1.00 0.96 C ATOM 1063 C ARG A 68 19.131 -1.111 -0.934 1.00 0.99 C ATOM 1064 O ARG A 68 19.689 -0.659 -1.913 1.00 1.37 O ATOM 1065 CB ARG A 68 19.013 -3.401 0.067 1.00 0.76 C ATOM 1066 CG ARG A 68 19.678 -4.366 1.052 1.00 1.26 C ATOM 1067 CD ARG A 68 20.441 -5.445 0.281 1.00 1.45 C ATOM 1068 NE ARG A 68 20.227 -6.775 0.939 1.00 1.49 N ATOM 1069 CZ ARG A 68 20.443 -6.955 2.222 1.00 2.15 C ATOM 1070 NH1 ARG A 68 21.090 -6.067 2.935 1.00 3.20 N ATOM 1071 NH2 ARG A 68 20.073 -8.075 2.780 1.00 2.38 N ATOM 0 H ARG A 68 19.531 -2.059 2.098 1.00 1.02 H new ATOM 0 HA ARG A 68 20.823 -2.337 -0.417 1.00 0.96 H new ATOM 0 HB2 ARG A 68 17.996 -3.177 0.390 1.00 0.76 H new ATOM 0 HB3 ARG A 68 18.940 -3.862 -0.918 1.00 0.76 H new ATOM 0 HG2 ARG A 68 20.360 -3.821 1.705 1.00 1.26 H new ATOM 0 HG3 ARG A 68 18.924 -4.826 1.691 1.00 1.26 H new ATOM 0 HD2 ARG A 68 20.098 -5.479 -0.753 1.00 1.45 H new ATOM 0 HD3 ARG A 68 21.504 -5.206 0.256 1.00 1.45 H new ATOM 0 HE ARG A 68 19.905 -7.561 0.375 1.00 1.49 H new ATOM 0 HH11 ARG A 68 21.438 -5.215 2.495 1.00 3.20 H new ATOM 0 HH12 ARG A 68 21.246 -6.228 3.930 1.00 3.20 H new ATOM 0 HH21 ARG A 68 19.622 -8.799 2.221 1.00 2.38 H new ATOM 0 HH22 ARG A 68 20.235 -8.227 3.776 1.00 2.38 H new ATOM 1085 N CYS A 69 17.910 -0.758 -0.631 1.00 0.75 N ATOM 1086 CA CYS A 69 17.186 0.216 -1.499 1.00 0.74 C ATOM 1087 C CYS A 69 17.812 1.611 -1.372 1.00 0.93 C ATOM 1088 O CYS A 69 17.530 2.494 -2.158 1.00 0.98 O ATOM 1089 CB CYS A 69 15.711 0.283 -1.090 1.00 0.61 C ATOM 1090 SG CYS A 69 14.724 0.815 -2.512 1.00 0.54 S ATOM 0 H CYS A 69 17.385 -1.099 0.174 1.00 0.75 H new ATOM 0 HA CYS A 69 17.263 -0.117 -2.534 1.00 0.74 H new ATOM 0 HB2 CYS A 69 15.373 -0.693 -0.742 1.00 0.61 H new ATOM 0 HB3 CYS A 69 15.582 0.979 -0.261 1.00 0.61 H new ATOM 1095 N LEU A 70 18.656 1.829 -0.395 1.00 1.10 N ATOM 1096 CA LEU A 70 19.280 3.175 -0.246 1.00 1.35 C ATOM 1097 C LEU A 70 20.460 3.301 -1.212 1.00 1.78 C ATOM 1098 O LEU A 70 20.354 3.911 -2.258 1.00 1.76 O ATOM 1099 CB LEU A 70 19.776 3.356 1.190 1.00 1.67 C ATOM 1100 CG LEU A 70 18.580 3.516 2.130 1.00 1.92 C ATOM 1101 CD1 LEU A 70 19.073 3.633 3.574 1.00 2.63 C ATOM 1102 CD2 LEU A 70 17.805 4.780 1.755 1.00 1.73 C ATOM 0 H LEU A 70 18.937 1.138 0.300 1.00 1.10 H new ATOM 0 HA LEU A 70 18.540 3.943 -0.473 1.00 1.35 H new ATOM 0 HB2 LEU A 70 20.374 2.496 1.490 1.00 1.67 H new ATOM 0 HB3 LEU A 70 20.422 4.232 1.255 1.00 1.67 H new ATOM 0 HG LEU A 70 17.929 2.646 2.039 1.00 1.92 H new ATOM 0 HD11 LEU A 70 18.219 3.747 4.242 1.00 2.63 H new ATOM 0 HD12 LEU A 70 19.627 2.734 3.843 1.00 2.63 H new ATOM 0 HD13 LEU A 70 19.725 4.502 3.667 1.00 2.63 H new ATOM 0 HD21 LEU A 70 16.952 4.896 2.424 1.00 1.73 H new ATOM 0 HD22 LEU A 70 18.458 5.648 1.846 1.00 1.73 H new ATOM 0 HD23 LEU A 70 17.452 4.699 0.727 1.00 1.73 H new ATOM 1114 N GLY A 71 21.584 2.734 -0.872 1.00 2.24 N ATOM 1115 CA GLY A 71 22.767 2.830 -1.772 1.00 2.73 C ATOM 1116 C GLY A 71 23.744 3.863 -1.212 1.00 3.02 C ATOM 1117 O GLY A 71 23.669 4.239 -0.059 1.00 3.40 O ATOM 0 H GLY A 71 21.734 2.209 -0.011 1.00 2.24 H new ATOM 0 HA2 GLY A 71 23.255 1.859 -1.856 1.00 2.73 H new ATOM 0 HA3 GLY A 71 22.453 3.116 -2.776 1.00 2.73 H new ATOM 1121 N ALA A 72 24.658 4.329 -2.016 1.00 3.13 N ATOM 1122 CA ALA A 72 25.635 5.341 -1.524 1.00 3.44 C ATOM 1123 C ALA A 72 25.673 6.522 -2.496 1.00 2.97 C ATOM 1124 O ALA A 72 26.696 7.149 -2.688 1.00 3.21 O ATOM 1125 CB ALA A 72 27.025 4.707 -1.433 1.00 4.43 C ATOM 0 H ALA A 72 24.771 4.054 -2.992 1.00 3.13 H new ATOM 0 HA ALA A 72 25.333 5.691 -0.537 1.00 3.44 H new ATOM 0 HB1 ALA A 72 27.740 5.447 -1.073 1.00 4.43 H new ATOM 0 HB2 ALA A 72 26.996 3.865 -0.742 1.00 4.43 H new ATOM 0 HB3 ALA A 72 27.331 4.357 -2.419 1.00 4.43 H new ATOM 1131 N THR A 73 24.563 6.830 -3.108 1.00 2.34 N ATOM 1132 CA THR A 73 24.529 7.970 -4.067 1.00 1.88 C ATOM 1133 C THR A 73 23.447 8.961 -3.636 1.00 1.35 C ATOM 1134 O THR A 73 22.336 8.581 -3.331 1.00 0.84 O ATOM 1135 CB THR A 73 24.213 7.445 -5.468 1.00 1.92 C ATOM 1136 OG1 THR A 73 24.967 6.265 -5.710 1.00 3.07 O ATOM 1137 CG2 THR A 73 24.575 8.506 -6.507 1.00 1.78 C ATOM 0 H THR A 73 23.677 6.341 -2.985 1.00 2.34 H new ATOM 0 HA THR A 73 25.497 8.470 -4.077 1.00 1.88 H new ATOM 0 HB THR A 73 23.149 7.219 -5.540 1.00 1.92 H new ATOM 0 HG1 THR A 73 24.375 5.485 -5.673 1.00 3.07 H new ATOM 0 HG21 THR A 73 24.349 8.130 -7.505 1.00 1.78 H new ATOM 0 HG22 THR A 73 23.996 9.410 -6.320 1.00 1.78 H new ATOM 0 HG23 THR A 73 25.638 8.735 -6.438 1.00 1.78 H new ATOM 1145 N ALA A 74 23.762 10.228 -3.604 1.00 1.56 N ATOM 1146 CA ALA A 74 22.749 11.239 -3.186 1.00 1.15 C ATOM 1147 C ALA A 74 21.609 11.298 -4.208 1.00 0.67 C ATOM 1148 O ALA A 74 20.507 11.699 -3.895 1.00 0.24 O ATOM 1149 CB ALA A 74 23.410 12.615 -3.087 1.00 1.34 C ATOM 0 H ALA A 74 24.677 10.606 -3.849 1.00 1.56 H new ATOM 0 HA ALA A 74 22.345 10.953 -2.215 1.00 1.15 H new ATOM 0 HB1 ALA A 74 22.669 13.354 -2.781 1.00 1.34 H new ATOM 0 HB2 ALA A 74 24.213 12.581 -2.351 1.00 1.34 H new ATOM 0 HB3 ALA A 74 23.820 12.893 -4.058 1.00 1.34 H new ATOM 1155 N GLN A 75 21.862 10.909 -5.429 1.00 1.03 N ATOM 1156 CA GLN A 75 20.786 10.954 -6.459 1.00 1.17 C ATOM 1157 C GLN A 75 19.640 10.023 -6.052 1.00 0.96 C ATOM 1158 O GLN A 75 18.521 10.451 -5.851 1.00 0.89 O ATOM 1159 CB GLN A 75 21.356 10.503 -7.807 1.00 1.87 C ATOM 1160 CG GLN A 75 21.962 11.708 -8.531 1.00 1.94 C ATOM 1161 CD GLN A 75 23.144 11.250 -9.388 1.00 3.27 C ATOM 1162 OE1 GLN A 75 24.283 11.355 -8.979 1.00 4.44 O ATOM 1163 NE2 GLN A 75 22.920 10.744 -10.570 1.00 3.36 N ATOM 0 H GLN A 75 22.764 10.563 -5.756 1.00 1.03 H new ATOM 0 HA GLN A 75 20.408 11.973 -6.543 1.00 1.17 H new ATOM 0 HB2 GLN A 75 22.116 9.736 -7.655 1.00 1.87 H new ATOM 0 HB3 GLN A 75 20.570 10.057 -8.416 1.00 1.87 H new ATOM 0 HG2 GLN A 75 21.209 12.185 -9.158 1.00 1.94 H new ATOM 0 HG3 GLN A 75 22.292 12.452 -7.806 1.00 1.94 H new ATOM 0 HE21 GLN A 75 21.964 10.656 -10.914 1.00 3.36 H new ATOM 0 HE22 GLN A 75 23.701 10.437 -11.150 1.00 3.36 H new ATOM 1172 N GLN A 76 19.911 8.752 -5.933 1.00 0.91 N ATOM 1173 CA GLN A 76 18.840 7.789 -5.543 1.00 0.71 C ATOM 1174 C GLN A 76 18.429 8.014 -4.084 1.00 0.67 C ATOM 1175 O GLN A 76 17.348 7.641 -3.673 1.00 0.62 O ATOM 1176 CB GLN A 76 19.366 6.360 -5.703 1.00 0.70 C ATOM 1177 CG GLN A 76 20.391 6.070 -4.604 1.00 2.75 C ATOM 1178 CD GLN A 76 21.189 4.817 -4.965 1.00 3.60 C ATOM 1179 OE1 GLN A 76 22.334 4.904 -5.362 1.00 4.23 O ATOM 1180 NE2 GLN A 76 20.629 3.644 -4.844 1.00 3.89 N ATOM 0 H GLN A 76 20.830 8.337 -6.089 1.00 0.91 H new ATOM 0 HA GLN A 76 17.972 7.943 -6.184 1.00 0.71 H new ATOM 0 HB2 GLN A 76 18.542 5.649 -5.644 1.00 0.70 H new ATOM 0 HB3 GLN A 76 19.824 6.237 -6.684 1.00 0.70 H new ATOM 0 HG2 GLN A 76 21.063 6.920 -4.486 1.00 2.75 H new ATOM 0 HG3 GLN A 76 19.885 5.929 -3.649 1.00 2.75 H new ATOM 0 HE21 GLN A 76 19.668 3.570 -4.511 1.00 3.89 H new ATOM 0 HE22 GLN A 76 21.153 2.802 -5.083 1.00 3.89 H new ATOM 1189 N PHE A 77 19.280 8.610 -3.292 1.00 0.70 N ATOM 1190 CA PHE A 77 18.928 8.840 -1.863 1.00 0.67 C ATOM 1191 C PHE A 77 17.727 9.784 -1.768 1.00 0.65 C ATOM 1192 O PHE A 77 16.679 9.418 -1.279 1.00 0.75 O ATOM 1193 CB PHE A 77 20.120 9.462 -1.135 1.00 0.67 C ATOM 1194 CG PHE A 77 20.396 8.683 0.128 1.00 1.04 C ATOM 1195 CD1 PHE A 77 19.375 8.488 1.066 1.00 1.54 C ATOM 1196 CD2 PHE A 77 21.672 8.156 0.360 1.00 1.24 C ATOM 1197 CE1 PHE A 77 19.631 7.764 2.236 1.00 1.88 C ATOM 1198 CE2 PHE A 77 21.926 7.432 1.532 1.00 1.52 C ATOM 1199 CZ PHE A 77 20.905 7.236 2.469 1.00 1.74 C ATOM 0 H PHE A 77 20.201 8.946 -3.573 1.00 0.70 H new ATOM 0 HA PHE A 77 18.674 7.886 -1.401 1.00 0.67 H new ATOM 0 HB2 PHE A 77 20.999 9.454 -1.780 1.00 0.67 H new ATOM 0 HB3 PHE A 77 19.910 10.504 -0.894 1.00 0.67 H new ATOM 0 HD1 PHE A 77 18.391 8.896 0.887 1.00 1.54 H new ATOM 0 HD2 PHE A 77 22.459 8.307 -0.364 1.00 1.24 H new ATOM 0 HE1 PHE A 77 18.844 7.613 2.960 1.00 1.88 H new ATOM 0 HE2 PHE A 77 22.910 7.025 1.713 1.00 1.52 H new ATOM 0 HZ PHE A 77 21.101 6.677 3.372 1.00 1.74 H new ATOM 1209 N HIS A 78 17.874 10.996 -2.226 1.00 0.71 N ATOM 1210 CA HIS A 78 16.744 11.966 -2.154 1.00 0.69 C ATOM 1211 C HIS A 78 15.559 11.447 -2.971 1.00 0.60 C ATOM 1212 O HIS A 78 14.419 11.553 -2.564 1.00 0.58 O ATOM 1213 CB HIS A 78 17.200 13.313 -2.719 1.00 0.90 C ATOM 1214 CG HIS A 78 16.291 14.401 -2.218 1.00 1.16 C ATOM 1215 ND1 HIS A 78 15.037 14.625 -2.763 1.00 0.77 N ATOM 1216 CD2 HIS A 78 16.441 15.335 -1.224 1.00 1.84 C ATOM 1217 CE1 HIS A 78 14.485 15.657 -2.099 1.00 1.20 C ATOM 1218 NE2 HIS A 78 15.300 16.128 -1.150 1.00 1.85 N ATOM 0 H HIS A 78 18.729 11.358 -2.648 1.00 0.71 H new ATOM 0 HA HIS A 78 16.437 12.086 -1.115 1.00 0.69 H new ATOM 0 HB2 HIS A 78 18.228 13.516 -2.418 1.00 0.90 H new ATOM 0 HB3 HIS A 78 17.186 13.286 -3.809 1.00 0.90 H new ATOM 0 HD2 HIS A 78 17.312 15.439 -0.595 1.00 1.84 H new ATOM 0 HE1 HIS A 78 13.503 16.056 -2.307 1.00 1.20 H new ATOM 0 HE2 HIS A 78 15.124 16.902 -0.510 1.00 1.85 H new ATOM 1226 N ARG A 79 15.817 10.892 -4.121 1.00 0.73 N ATOM 1227 CA ARG A 79 14.704 10.371 -4.968 1.00 0.91 C ATOM 1228 C ARG A 79 13.927 9.293 -4.207 1.00 0.84 C ATOM 1229 O ARG A 79 12.761 9.063 -4.460 1.00 1.08 O ATOM 1230 CB ARG A 79 15.280 9.774 -6.255 1.00 1.13 C ATOM 1231 CG ARG A 79 15.446 10.876 -7.304 1.00 1.78 C ATOM 1232 CD ARG A 79 14.872 10.404 -8.641 1.00 1.51 C ATOM 1233 NE ARG A 79 15.866 10.662 -9.733 1.00 2.59 N ATOM 1234 CZ ARG A 79 16.420 11.841 -9.900 1.00 3.15 C ATOM 1235 NH1 ARG A 79 15.956 12.906 -9.293 1.00 3.22 N ATOM 1236 NH2 ARG A 79 17.406 11.969 -10.746 1.00 4.10 N ATOM 0 H ARG A 79 16.751 10.775 -4.513 1.00 0.73 H new ATOM 0 HA ARG A 79 14.028 11.190 -5.214 1.00 0.91 H new ATOM 0 HB2 ARG A 79 16.242 9.305 -6.051 1.00 1.13 H new ATOM 0 HB3 ARG A 79 14.619 8.994 -6.634 1.00 1.13 H new ATOM 0 HG2 ARG A 79 14.936 11.782 -6.978 1.00 1.78 H new ATOM 0 HG3 ARG A 79 16.500 11.127 -7.418 1.00 1.78 H new ATOM 0 HD2 ARG A 79 14.637 9.341 -8.593 1.00 1.51 H new ATOM 0 HD3 ARG A 79 13.939 10.927 -8.853 1.00 1.51 H new ATOM 0 HE ARG A 79 16.119 9.901 -10.364 1.00 2.59 H new ATOM 0 HH11 ARG A 79 15.148 12.830 -8.675 1.00 3.22 H new ATOM 0 HH12 ARG A 79 16.403 13.811 -9.438 1.00 3.22 H new ATOM 0 HH21 ARG A 79 17.738 11.158 -11.269 1.00 4.10 H new ATOM 0 HH22 ARG A 79 17.844 12.880 -10.884 1.00 4.10 H new ATOM 1250 N HIS A 80 14.559 8.623 -3.281 1.00 0.61 N ATOM 1251 CA HIS A 80 13.848 7.560 -2.515 1.00 0.74 C ATOM 1252 C HIS A 80 13.206 8.152 -1.256 1.00 0.69 C ATOM 1253 O HIS A 80 12.262 7.609 -0.719 1.00 0.71 O ATOM 1254 CB HIS A 80 14.843 6.471 -2.110 1.00 0.96 C ATOM 1255 CG HIS A 80 14.264 5.656 -0.986 1.00 0.62 C ATOM 1256 ND1 HIS A 80 13.477 4.537 -1.211 1.00 1.02 N ATOM 1257 CD2 HIS A 80 14.347 5.787 0.378 1.00 0.93 C ATOM 1258 CE1 HIS A 80 13.120 4.044 -0.010 1.00 0.63 C ATOM 1259 NE2 HIS A 80 13.625 4.768 0.992 1.00 1.03 N ATOM 0 H HIS A 80 15.535 8.766 -3.022 1.00 0.61 H new ATOM 0 HA HIS A 80 13.068 7.133 -3.145 1.00 0.74 H new ATOM 0 HB2 HIS A 80 15.063 5.829 -2.963 1.00 0.96 H new ATOM 0 HB3 HIS A 80 15.785 6.922 -1.799 1.00 0.96 H new ATOM 0 HD1 HIS A 80 13.216 4.157 -2.121 1.00 1.02 H new ATOM 0 HD2 HIS A 80 14.890 6.563 0.896 1.00 0.93 H new ATOM 0 HE1 HIS A 80 12.501 3.170 0.126 1.00 0.63 H new ATOM 1267 N LYS A 81 13.712 9.254 -0.772 1.00 0.63 N ATOM 1268 CA LYS A 81 13.127 9.865 0.454 1.00 0.62 C ATOM 1269 C LYS A 81 11.711 10.360 0.155 1.00 0.53 C ATOM 1270 O LYS A 81 10.845 10.348 1.007 1.00 0.55 O ATOM 1271 CB LYS A 81 13.996 11.041 0.899 1.00 0.64 C ATOM 1272 CG LYS A 81 13.533 11.527 2.273 1.00 0.44 C ATOM 1273 CD LYS A 81 14.190 12.871 2.583 1.00 0.45 C ATOM 1274 CE LYS A 81 15.518 12.635 3.303 1.00 0.71 C ATOM 1275 NZ LYS A 81 15.950 13.893 3.974 1.00 0.83 N ATOM 0 H LYS A 81 14.504 9.756 -1.173 1.00 0.63 H new ATOM 0 HA LYS A 81 13.088 9.119 1.248 1.00 0.62 H new ATOM 0 HB2 LYS A 81 15.042 10.738 0.942 1.00 0.64 H new ATOM 0 HB3 LYS A 81 13.929 11.852 0.173 1.00 0.64 H new ATOM 0 HG2 LYS A 81 12.448 11.628 2.289 1.00 0.44 H new ATOM 0 HG3 LYS A 81 13.796 10.796 3.037 1.00 0.44 H new ATOM 0 HD2 LYS A 81 14.358 13.427 1.661 1.00 0.45 H new ATOM 0 HD3 LYS A 81 13.530 13.476 3.204 1.00 0.45 H new ATOM 0 HE2 LYS A 81 15.409 11.837 4.038 1.00 0.71 H new ATOM 0 HE3 LYS A 81 16.277 12.311 2.591 1.00 0.71 H new ATOM 0 HZ1 LYS A 81 16.853 13.733 4.464 1.00 0.83 H new ATOM 0 HZ2 LYS A 81 16.070 14.642 3.263 1.00 0.83 H new ATOM 0 HZ3 LYS A 81 15.229 14.184 4.665 1.00 0.83 H new ATOM 1289 N GLN A 82 11.471 10.796 -1.049 1.00 0.50 N ATOM 1290 CA GLN A 82 10.113 11.293 -1.405 1.00 0.56 C ATOM 1291 C GLN A 82 9.131 10.120 -1.457 1.00 0.60 C ATOM 1292 O GLN A 82 8.043 10.187 -0.923 1.00 0.52 O ATOM 1293 CB GLN A 82 10.168 11.977 -2.773 1.00 0.63 C ATOM 1294 CG GLN A 82 9.049 13.015 -2.873 1.00 0.78 C ATOM 1295 CD GLN A 82 8.985 13.561 -4.300 1.00 1.09 C ATOM 1296 OE1 GLN A 82 9.505 14.622 -4.582 1.00 1.75 O ATOM 1297 NE2 GLN A 82 8.363 12.874 -5.219 1.00 1.83 N ATOM 0 H GLN A 82 12.157 10.830 -1.803 1.00 0.50 H new ATOM 0 HA GLN A 82 9.778 12.007 -0.652 1.00 0.56 H new ATOM 0 HB2 GLN A 82 11.137 12.457 -2.912 1.00 0.63 H new ATOM 0 HB3 GLN A 82 10.063 11.236 -3.566 1.00 0.63 H new ATOM 0 HG2 GLN A 82 8.095 12.564 -2.602 1.00 0.78 H new ATOM 0 HG3 GLN A 82 9.229 13.828 -2.169 1.00 0.78 H new ATOM 0 HE21 GLN A 82 7.926 11.983 -4.982 1.00 1.83 H new ATOM 0 HE22 GLN A 82 8.313 13.228 -6.174 1.00 1.83 H new ATOM 1306 N LEU A 83 9.505 9.044 -2.097 1.00 0.85 N ATOM 1307 CA LEU A 83 8.588 7.869 -2.181 1.00 0.98 C ATOM 1308 C LEU A 83 8.197 7.421 -0.770 1.00 0.96 C ATOM 1309 O LEU A 83 7.044 7.172 -0.487 1.00 1.03 O ATOM 1310 CB LEU A 83 9.297 6.719 -2.906 1.00 1.14 C ATOM 1311 CG LEU A 83 8.507 5.419 -2.711 1.00 0.99 C ATOM 1312 CD1 LEU A 83 8.436 4.659 -4.037 1.00 1.13 C ATOM 1313 CD2 LEU A 83 9.205 4.543 -1.668 1.00 0.69 C ATOM 0 H LEU A 83 10.404 8.928 -2.565 1.00 0.85 H new ATOM 0 HA LEU A 83 7.690 8.148 -2.733 1.00 0.98 H new ATOM 0 HB2 LEU A 83 9.386 6.946 -3.968 1.00 1.14 H new ATOM 0 HB3 LEU A 83 10.309 6.602 -2.519 1.00 1.14 H new ATOM 0 HG LEU A 83 7.500 5.660 -2.371 1.00 0.99 H new ATOM 0 HD11 LEU A 83 7.874 3.735 -3.897 1.00 1.13 H new ATOM 0 HD12 LEU A 83 7.938 5.277 -4.784 1.00 1.13 H new ATOM 0 HD13 LEU A 83 9.445 4.423 -4.375 1.00 1.13 H new ATOM 0 HD21 LEU A 83 8.641 3.620 -1.532 1.00 0.69 H new ATOM 0 HD22 LEU A 83 10.213 4.306 -2.008 1.00 0.69 H new ATOM 0 HD23 LEU A 83 9.259 5.079 -0.720 1.00 0.69 H new ATOM 1325 N ILE A 84 9.151 7.311 0.114 1.00 0.93 N ATOM 1326 CA ILE A 84 8.832 6.874 1.505 1.00 0.95 C ATOM 1327 C ILE A 84 7.763 7.790 2.106 1.00 0.85 C ATOM 1328 O ILE A 84 6.840 7.336 2.748 1.00 0.93 O ATOM 1329 CB ILE A 84 10.097 6.943 2.362 1.00 0.97 C ATOM 1330 CG1 ILE A 84 11.133 5.941 1.836 1.00 1.01 C ATOM 1331 CG2 ILE A 84 9.752 6.606 3.813 1.00 0.92 C ATOM 1332 CD1 ILE A 84 10.537 4.531 1.831 1.00 0.78 C ATOM 0 H ILE A 84 10.136 7.504 -0.065 1.00 0.93 H new ATOM 0 HA ILE A 84 8.458 5.851 1.482 1.00 0.95 H new ATOM 0 HB ILE A 84 10.511 7.950 2.312 1.00 0.97 H new ATOM 0 HG12 ILE A 84 11.441 6.219 0.828 1.00 1.01 H new ATOM 0 HG13 ILE A 84 12.026 5.966 2.461 1.00 1.01 H new ATOM 0 HG21 ILE A 84 10.654 6.656 4.422 1.00 0.92 H new ATOM 0 HG22 ILE A 84 9.021 7.322 4.189 1.00 0.92 H new ATOM 0 HG23 ILE A 84 9.335 5.600 3.864 1.00 0.92 H new ATOM 0 HD11 ILE A 84 11.278 3.824 1.456 1.00 0.78 H new ATOM 0 HD12 ILE A 84 10.251 4.253 2.845 1.00 0.78 H new ATOM 0 HD13 ILE A 84 9.658 4.510 1.187 1.00 0.78 H new ATOM 1344 N ARG A 85 7.880 9.076 1.909 1.00 0.69 N ATOM 1345 CA ARG A 85 6.867 10.014 2.477 1.00 0.60 C ATOM 1346 C ARG A 85 5.482 9.661 1.932 1.00 0.59 C ATOM 1347 O ARG A 85 4.508 9.610 2.660 1.00 0.56 O ATOM 1348 CB ARG A 85 7.222 11.451 2.085 1.00 0.54 C ATOM 1349 CG ARG A 85 8.517 11.866 2.786 1.00 1.50 C ATOM 1350 CD ARG A 85 8.507 13.375 3.037 1.00 0.71 C ATOM 1351 NE ARG A 85 8.963 13.649 4.432 1.00 1.38 N ATOM 1352 CZ ARG A 85 9.331 14.854 4.801 1.00 1.45 C ATOM 1353 NH1 ARG A 85 9.321 15.858 3.957 1.00 0.97 N ATOM 1354 NH2 ARG A 85 9.719 15.056 6.030 1.00 2.32 N ATOM 0 H ARG A 85 8.632 9.518 1.380 1.00 0.69 H new ATOM 0 HA ARG A 85 6.862 9.927 3.564 1.00 0.60 H new ATOM 0 HB2 ARG A 85 7.341 11.526 1.004 1.00 0.54 H new ATOM 0 HB3 ARG A 85 6.413 12.126 2.364 1.00 0.54 H new ATOM 0 HG2 ARG A 85 8.618 11.331 3.730 1.00 1.50 H new ATOM 0 HG3 ARG A 85 9.377 11.595 2.173 1.00 1.50 H new ATOM 0 HD2 ARG A 85 9.160 13.878 2.324 1.00 0.71 H new ATOM 0 HD3 ARG A 85 7.504 13.773 2.886 1.00 0.71 H new ATOM 0 HE ARG A 85 8.989 12.887 5.110 1.00 1.38 H new ATOM 0 HH11 ARG A 85 9.023 15.711 2.993 1.00 0.97 H new ATOM 0 HH12 ARG A 85 9.611 16.786 4.265 1.00 0.97 H new ATOM 0 HH21 ARG A 85 9.734 14.282 6.694 1.00 2.32 H new ATOM 0 HH22 ARG A 85 10.007 15.988 6.327 1.00 2.32 H new ATOM 1368 N PHE A 86 5.389 9.414 0.658 1.00 0.62 N ATOM 1369 CA PHE A 86 4.072 9.063 0.059 1.00 0.64 C ATOM 1370 C PHE A 86 3.511 7.826 0.763 1.00 0.65 C ATOM 1371 O PHE A 86 2.320 7.698 0.972 1.00 0.67 O ATOM 1372 CB PHE A 86 4.262 8.764 -1.431 1.00 0.66 C ATOM 1373 CG PHE A 86 3.381 9.675 -2.247 1.00 0.68 C ATOM 1374 CD1 PHE A 86 1.997 9.474 -2.267 1.00 0.59 C ATOM 1375 CD2 PHE A 86 3.946 10.722 -2.985 1.00 0.95 C ATOM 1376 CE1 PHE A 86 1.176 10.317 -3.024 1.00 0.70 C ATOM 1377 CE2 PHE A 86 3.124 11.567 -3.742 1.00 0.97 C ATOM 1378 CZ PHE A 86 1.740 11.364 -3.761 1.00 0.80 C ATOM 0 H PHE A 86 6.170 9.440 0.002 1.00 0.62 H new ATOM 0 HA PHE A 86 3.377 9.894 0.178 1.00 0.64 H new ATOM 0 HB2 PHE A 86 5.306 8.906 -1.710 1.00 0.66 H new ATOM 0 HB3 PHE A 86 4.015 7.723 -1.637 1.00 0.66 H new ATOM 0 HD1 PHE A 86 1.561 8.667 -1.697 1.00 0.59 H new ATOM 0 HD2 PHE A 86 5.015 10.878 -2.971 1.00 0.95 H new ATOM 0 HE1 PHE A 86 0.108 10.160 -3.039 1.00 0.70 H new ATOM 0 HE2 PHE A 86 3.559 12.375 -4.311 1.00 0.97 H new ATOM 0 HZ PHE A 86 1.107 12.016 -4.345 1.00 0.80 H new ATOM 1388 N LEU A 87 4.367 6.911 1.128 1.00 0.62 N ATOM 1389 CA LEU A 87 3.900 5.674 1.814 1.00 0.63 C ATOM 1390 C LEU A 87 3.420 6.024 3.226 1.00 0.61 C ATOM 1391 O LEU A 87 2.523 5.399 3.758 1.00 0.50 O ATOM 1392 CB LEU A 87 5.073 4.679 1.886 1.00 0.68 C ATOM 1393 CG LEU A 87 4.589 3.253 2.206 1.00 0.52 C ATOM 1394 CD1 LEU A 87 4.117 3.174 3.659 1.00 1.62 C ATOM 1395 CD2 LEU A 87 3.442 2.858 1.271 1.00 1.84 C ATOM 0 H LEU A 87 5.375 6.968 0.980 1.00 0.62 H new ATOM 0 HA LEU A 87 3.073 5.226 1.263 1.00 0.63 H new ATOM 0 HB2 LEU A 87 5.608 4.677 0.936 1.00 0.68 H new ATOM 0 HB3 LEU A 87 5.780 5.004 2.650 1.00 0.68 H new ATOM 0 HG LEU A 87 5.420 2.563 2.059 1.00 0.52 H new ATOM 0 HD11 LEU A 87 3.776 2.162 3.876 1.00 1.62 H new ATOM 0 HD12 LEU A 87 4.942 3.430 4.324 1.00 1.62 H new ATOM 0 HD13 LEU A 87 3.296 3.874 3.813 1.00 1.62 H new ATOM 0 HD21 LEU A 87 3.110 1.847 1.509 1.00 1.84 H new ATOM 0 HD22 LEU A 87 2.612 3.552 1.400 1.00 1.84 H new ATOM 0 HD23 LEU A 87 3.787 2.893 0.238 1.00 1.84 H new ATOM 1407 N LYS A 88 4.007 7.012 3.840 1.00 0.71 N ATOM 1408 CA LYS A 88 3.581 7.387 5.217 1.00 0.70 C ATOM 1409 C LYS A 88 2.137 7.885 5.192 1.00 0.62 C ATOM 1410 O LYS A 88 1.354 7.589 6.072 1.00 0.58 O ATOM 1411 CB LYS A 88 4.494 8.494 5.750 1.00 0.79 C ATOM 1412 CG LYS A 88 5.547 7.883 6.675 1.00 0.35 C ATOM 1413 CD LYS A 88 6.040 8.946 7.659 1.00 0.42 C ATOM 1414 CE LYS A 88 5.005 9.132 8.770 1.00 1.75 C ATOM 1415 NZ LYS A 88 5.140 10.496 9.356 1.00 2.03 N ATOM 0 H LYS A 88 4.762 7.576 3.449 1.00 0.71 H new ATOM 0 HA LYS A 88 3.650 6.514 5.866 1.00 0.70 H new ATOM 0 HB2 LYS A 88 4.978 9.012 4.922 1.00 0.79 H new ATOM 0 HB3 LYS A 88 3.906 9.236 6.290 1.00 0.79 H new ATOM 0 HG2 LYS A 88 5.123 7.038 7.218 1.00 0.35 H new ATOM 0 HG3 LYS A 88 6.382 7.499 6.089 1.00 0.35 H new ATOM 0 HD2 LYS A 88 6.997 8.646 8.086 1.00 0.42 H new ATOM 0 HD3 LYS A 88 6.205 9.890 7.139 1.00 0.42 H new ATOM 0 HE2 LYS A 88 4.000 8.994 8.371 1.00 1.75 H new ATOM 0 HE3 LYS A 88 5.147 8.377 9.543 1.00 1.75 H new ATOM 0 HZ1 LYS A 88 4.436 10.621 10.111 1.00 2.03 H new ATOM 0 HZ2 LYS A 88 6.095 10.611 9.751 1.00 2.03 H new ATOM 0 HZ3 LYS A 88 4.983 11.209 8.615 1.00 2.03 H new ATOM 1429 N ARG A 89 1.774 8.638 4.191 1.00 0.61 N ATOM 1430 CA ARG A 89 0.377 9.149 4.116 1.00 0.53 C ATOM 1431 C ARG A 89 -0.585 7.977 3.904 1.00 0.45 C ATOM 1432 O ARG A 89 -1.575 7.835 4.595 1.00 0.34 O ATOM 1433 CB ARG A 89 0.253 10.126 2.944 1.00 0.56 C ATOM 1434 CG ARG A 89 -0.657 11.291 3.337 1.00 0.83 C ATOM 1435 CD ARG A 89 -2.120 10.855 3.241 1.00 1.77 C ATOM 1436 NE ARG A 89 -2.659 11.181 1.880 1.00 2.00 N ATOM 1437 CZ ARG A 89 -2.625 12.396 1.388 1.00 1.69 C ATOM 1438 NH1 ARG A 89 -2.298 13.423 2.132 1.00 1.44 N ATOM 1439 NH2 ARG A 89 -2.981 12.592 0.148 1.00 1.92 N ATOM 0 H ARG A 89 2.383 8.921 3.423 1.00 0.61 H new ATOM 0 HA ARG A 89 0.128 9.661 5.045 1.00 0.53 H new ATOM 0 HB2 ARG A 89 1.238 10.500 2.664 1.00 0.56 H new ATOM 0 HB3 ARG A 89 -0.153 9.613 2.072 1.00 0.56 H new ATOM 0 HG2 ARG A 89 -0.430 11.616 4.352 1.00 0.83 H new ATOM 0 HG3 ARG A 89 -0.477 12.143 2.681 1.00 0.83 H new ATOM 0 HD2 ARG A 89 -2.203 9.784 3.428 1.00 1.77 H new ATOM 0 HD3 ARG A 89 -2.710 11.359 4.006 1.00 1.77 H new ATOM 0 HE ARG A 89 -3.066 10.433 1.318 1.00 2.00 H new ATOM 0 HH11 ARG A 89 -2.063 13.286 3.115 1.00 1.44 H new ATOM 0 HH12 ARG A 89 -2.278 14.359 1.728 1.00 1.44 H new ATOM 0 HH21 ARG A 89 -3.281 11.805 -0.427 1.00 1.92 H new ATOM 0 HH22 ARG A 89 -2.959 13.532 -0.246 1.00 1.92 H new ATOM 1453 N LEU A 90 -0.300 7.143 2.945 1.00 0.51 N ATOM 1454 CA LEU A 90 -1.197 5.981 2.670 1.00 0.43 C ATOM 1455 C LEU A 90 -1.098 4.936 3.793 1.00 0.44 C ATOM 1456 O LEU A 90 -1.861 3.992 3.830 1.00 0.42 O ATOM 1457 CB LEU A 90 -0.782 5.338 1.347 1.00 0.54 C ATOM 1458 CG LEU A 90 -1.856 4.346 0.899 1.00 0.32 C ATOM 1459 CD1 LEU A 90 -2.350 4.724 -0.498 1.00 0.73 C ATOM 1460 CD2 LEU A 90 -1.260 2.937 0.864 1.00 0.89 C ATOM 0 H LEU A 90 0.516 7.214 2.337 1.00 0.51 H new ATOM 0 HA LEU A 90 -2.226 6.335 2.616 1.00 0.43 H new ATOM 0 HB2 LEU A 90 -0.642 6.106 0.586 1.00 0.54 H new ATOM 0 HB3 LEU A 90 0.174 4.827 1.464 1.00 0.54 H new ATOM 0 HG LEU A 90 -2.692 4.373 1.598 1.00 0.32 H new ATOM 0 HD11 LEU A 90 -3.116 4.017 -0.817 1.00 0.73 H new ATOM 0 HD12 LEU A 90 -2.771 5.729 -0.475 1.00 0.73 H new ATOM 0 HD13 LEU A 90 -1.516 4.696 -1.199 1.00 0.73 H new ATOM 0 HD21 LEU A 90 -2.023 2.227 0.545 1.00 0.89 H new ATOM 0 HD22 LEU A 90 -0.426 2.912 0.163 1.00 0.89 H new ATOM 0 HD23 LEU A 90 -0.906 2.667 1.859 1.00 0.89 H new ATOM 1472 N ASP A 91 -0.169 5.078 4.700 1.00 0.51 N ATOM 1473 CA ASP A 91 -0.041 4.072 5.792 1.00 0.57 C ATOM 1474 C ASP A 91 -1.255 4.135 6.724 1.00 0.48 C ATOM 1475 O ASP A 91 -1.930 3.148 6.944 1.00 0.57 O ATOM 1476 CB ASP A 91 1.227 4.359 6.597 1.00 0.67 C ATOM 1477 CG ASP A 91 1.086 3.765 8.000 1.00 0.80 C ATOM 1478 OD1 ASP A 91 1.230 2.561 8.128 1.00 0.33 O ATOM 1479 OD2 ASP A 91 0.837 4.525 8.921 1.00 2.33 O ATOM 0 H ASP A 91 0.504 5.844 4.732 1.00 0.51 H new ATOM 0 HA ASP A 91 0.013 3.077 5.349 1.00 0.57 H new ATOM 0 HB2 ASP A 91 2.094 3.931 6.095 1.00 0.67 H new ATOM 0 HB3 ASP A 91 1.394 5.434 6.661 1.00 0.67 H new ATOM 1484 N ARG A 92 -1.529 5.280 7.288 1.00 0.33 N ATOM 1485 CA ARG A 92 -2.687 5.394 8.222 1.00 0.32 C ATOM 1486 C ARG A 92 -3.976 5.710 7.454 1.00 0.25 C ATOM 1487 O ARG A 92 -5.064 5.464 7.935 1.00 0.31 O ATOM 1488 CB ARG A 92 -2.412 6.513 9.232 1.00 0.30 C ATOM 1489 CG ARG A 92 -3.642 6.722 10.117 1.00 1.00 C ATOM 1490 CD ARG A 92 -3.975 5.415 10.839 1.00 1.42 C ATOM 1491 NE ARG A 92 -5.005 5.673 11.898 1.00 2.41 N ATOM 1492 CZ ARG A 92 -4.808 6.540 12.862 1.00 1.83 C ATOM 1493 NH1 ARG A 92 -3.621 7.046 13.089 1.00 0.88 N ATOM 1494 NH2 ARG A 92 -5.798 6.851 13.653 1.00 2.89 N ATOM 0 H ARG A 92 -1.002 6.141 7.143 1.00 0.33 H new ATOM 0 HA ARG A 92 -2.814 4.443 8.739 1.00 0.32 H new ATOM 0 HB2 ARG A 92 -1.549 6.257 9.847 1.00 0.30 H new ATOM 0 HB3 ARG A 92 -2.168 7.437 8.708 1.00 0.30 H new ATOM 0 HG2 ARG A 92 -3.452 7.513 10.842 1.00 1.00 H new ATOM 0 HG3 ARG A 92 -4.490 7.042 9.511 1.00 1.00 H new ATOM 0 HD2 ARG A 92 -4.348 4.679 10.127 1.00 1.42 H new ATOM 0 HD3 ARG A 92 -3.074 4.996 11.288 1.00 1.42 H new ATOM 0 HE ARG A 92 -5.885 5.159 11.868 1.00 2.41 H new ATOM 0 HH11 ARG A 92 -2.829 6.767 12.511 1.00 0.88 H new ATOM 0 HH12 ARG A 92 -3.489 7.719 13.844 1.00 0.88 H new ATOM 0 HH21 ARG A 92 -6.713 6.421 13.518 1.00 2.89 H new ATOM 0 HH22 ARG A 92 -5.657 7.524 14.406 1.00 2.89 H new ATOM 1508 N ASN A 93 -3.874 6.265 6.276 1.00 0.19 N ATOM 1509 CA ASN A 93 -5.109 6.604 5.509 1.00 0.17 C ATOM 1510 C ASN A 93 -5.713 5.345 4.880 1.00 0.19 C ATOM 1511 O ASN A 93 -6.917 5.214 4.773 1.00 0.15 O ATOM 1512 CB ASN A 93 -4.760 7.605 4.407 1.00 0.23 C ATOM 1513 CG ASN A 93 -4.939 9.029 4.937 1.00 0.37 C ATOM 1514 OD1 ASN A 93 -6.002 9.605 4.820 1.00 1.13 O ATOM 1515 ND2 ASN A 93 -3.935 9.624 5.522 1.00 1.42 N ATOM 0 H ASN A 93 -2.995 6.497 5.813 1.00 0.19 H new ATOM 0 HA ASN A 93 -5.839 7.040 6.191 1.00 0.17 H new ATOM 0 HB2 ASN A 93 -3.732 7.455 4.077 1.00 0.23 H new ATOM 0 HB3 ASN A 93 -5.400 7.445 3.539 1.00 0.23 H new ATOM 0 HD21 ASN A 93 -4.043 10.573 5.881 1.00 1.42 H new ATOM 0 HD22 ASN A 93 -3.042 9.140 5.620 1.00 1.42 H new ATOM 1522 N LEU A 94 -4.897 4.427 4.448 1.00 0.27 N ATOM 1523 CA LEU A 94 -5.438 3.193 3.807 1.00 0.33 C ATOM 1524 C LEU A 94 -6.342 2.432 4.783 1.00 0.35 C ATOM 1525 O LEU A 94 -7.521 2.263 4.542 1.00 0.48 O ATOM 1526 CB LEU A 94 -4.278 2.293 3.378 1.00 0.29 C ATOM 1527 CG LEU A 94 -4.797 1.204 2.436 1.00 0.16 C ATOM 1528 CD1 LEU A 94 -5.353 1.849 1.164 1.00 0.85 C ATOM 1529 CD2 LEU A 94 -3.647 0.262 2.069 1.00 0.63 C ATOM 0 H LEU A 94 -3.880 4.475 4.510 1.00 0.27 H new ATOM 0 HA LEU A 94 -6.027 3.479 2.936 1.00 0.33 H new ATOM 0 HB2 LEU A 94 -3.510 2.884 2.879 1.00 0.29 H new ATOM 0 HB3 LEU A 94 -3.813 1.840 4.253 1.00 0.29 H new ATOM 0 HG LEU A 94 -5.588 0.641 2.931 1.00 0.16 H new ATOM 0 HD11 LEU A 94 -5.722 1.073 0.494 1.00 0.85 H new ATOM 0 HD12 LEU A 94 -6.170 2.522 1.425 1.00 0.85 H new ATOM 0 HD13 LEU A 94 -4.563 2.412 0.667 1.00 0.85 H new ATOM 0 HD21 LEU A 94 -4.013 -0.515 1.398 1.00 0.63 H new ATOM 0 HD22 LEU A 94 -2.858 0.827 1.573 1.00 0.63 H new ATOM 0 HD23 LEU A 94 -3.250 -0.198 2.974 1.00 0.63 H new ATOM 1541 N TRP A 95 -5.803 1.959 5.873 1.00 0.29 N ATOM 1542 CA TRP A 95 -6.640 1.195 6.847 1.00 0.41 C ATOM 1543 C TRP A 95 -7.374 2.143 7.795 1.00 0.32 C ATOM 1544 O TRP A 95 -8.286 1.748 8.493 1.00 0.30 O ATOM 1545 CB TRP A 95 -5.748 0.261 7.651 1.00 0.51 C ATOM 1546 CG TRP A 95 -5.641 0.737 9.059 1.00 0.42 C ATOM 1547 CD1 TRP A 95 -4.857 1.754 9.467 1.00 0.55 C ATOM 1548 CD2 TRP A 95 -6.312 0.233 10.249 1.00 1.02 C ATOM 1549 NE1 TRP A 95 -5.001 1.912 10.834 1.00 0.51 N ATOM 1550 CE2 TRP A 95 -5.888 0.997 11.363 1.00 0.73 C ATOM 1551 CE3 TRP A 95 -7.237 -0.803 10.470 1.00 1.88 C ATOM 1552 CZ2 TRP A 95 -6.366 0.743 12.648 1.00 1.20 C ATOM 1553 CZ3 TRP A 95 -7.718 -1.062 11.763 1.00 2.37 C ATOM 1554 CH2 TRP A 95 -7.283 -0.290 12.850 1.00 2.02 C ATOM 0 H TRP A 95 -4.823 2.067 6.133 1.00 0.29 H new ATOM 0 HA TRP A 95 -7.382 0.619 6.294 1.00 0.41 H new ATOM 0 HB2 TRP A 95 -6.156 -0.750 7.631 1.00 0.51 H new ATOM 0 HB3 TRP A 95 -4.757 0.214 7.199 1.00 0.51 H new ATOM 0 HD1 TRP A 95 -4.219 2.349 8.830 1.00 0.55 H new ATOM 0 HE1 TRP A 95 -4.511 2.618 11.383 1.00 0.51 H new ATOM 0 HE3 TRP A 95 -7.579 -1.403 9.640 1.00 1.88 H new ATOM 0 HZ2 TRP A 95 -6.029 1.341 13.481 1.00 1.20 H new ATOM 0 HZ3 TRP A 95 -8.427 -1.861 11.922 1.00 2.37 H new ATOM 0 HH2 TRP A 95 -7.657 -0.494 13.842 1.00 2.02 H new ATOM 1565 N GLY A 96 -6.995 3.387 7.831 1.00 0.31 N ATOM 1566 CA GLY A 96 -7.698 4.345 8.731 1.00 0.27 C ATOM 1567 C GLY A 96 -9.194 4.333 8.397 1.00 0.38 C ATOM 1568 O GLY A 96 -10.033 4.579 9.241 1.00 0.50 O ATOM 0 H GLY A 96 -6.233 3.783 7.280 1.00 0.31 H new ATOM 0 HA2 GLY A 96 -7.542 4.067 9.773 1.00 0.27 H new ATOM 0 HA3 GLY A 96 -7.292 5.348 8.605 1.00 0.27 H new ATOM 1572 N LEU A 97 -9.532 4.042 7.166 1.00 0.36 N ATOM 1573 CA LEU A 97 -10.969 4.005 6.766 1.00 0.49 C ATOM 1574 C LEU A 97 -11.608 2.713 7.279 1.00 0.50 C ATOM 1575 O LEU A 97 -12.773 2.678 7.618 1.00 0.65 O ATOM 1576 CB LEU A 97 -11.069 4.043 5.239 1.00 0.46 C ATOM 1577 CG LEU A 97 -11.163 5.493 4.770 1.00 1.36 C ATOM 1578 CD1 LEU A 97 -12.558 6.040 5.075 1.00 1.06 C ATOM 1579 CD2 LEU A 97 -10.115 6.332 5.506 1.00 3.28 C ATOM 0 H LEU A 97 -8.871 3.828 6.419 1.00 0.36 H new ATOM 0 HA LEU A 97 -11.488 4.864 7.192 1.00 0.49 H new ATOM 0 HB2 LEU A 97 -10.198 3.562 4.795 1.00 0.46 H new ATOM 0 HB3 LEU A 97 -11.945 3.485 4.907 1.00 0.46 H new ATOM 0 HG LEU A 97 -10.982 5.541 3.696 1.00 1.36 H new ATOM 0 HD11 LEU A 97 -12.624 7.075 4.740 1.00 1.06 H new ATOM 0 HD12 LEU A 97 -13.305 5.441 4.554 1.00 1.06 H new ATOM 0 HD13 LEU A 97 -12.740 5.994 6.149 1.00 1.06 H new ATOM 0 HD21 LEU A 97 -10.179 7.368 5.173 1.00 3.28 H new ATOM 0 HD22 LEU A 97 -10.298 6.283 6.579 1.00 3.28 H new ATOM 0 HD23 LEU A 97 -9.120 5.943 5.290 1.00 3.28 H new ATOM 1591 N ALA A 98 -10.843 1.652 7.324 1.00 0.43 N ATOM 1592 CA ALA A 98 -11.373 0.341 7.805 1.00 0.57 C ATOM 1593 C ALA A 98 -12.113 0.534 9.129 1.00 0.89 C ATOM 1594 O ALA A 98 -13.239 0.107 9.293 1.00 0.95 O ATOM 1595 CB ALA A 98 -10.204 -0.625 8.010 1.00 0.65 C ATOM 0 H ALA A 98 -9.862 1.639 7.044 1.00 0.43 H new ATOM 0 HA ALA A 98 -12.064 -0.065 7.067 1.00 0.57 H new ATOM 0 HB1 ALA A 98 -10.583 -1.585 8.361 1.00 0.65 H new ATOM 0 HB2 ALA A 98 -9.678 -0.766 7.066 1.00 0.65 H new ATOM 0 HB3 ALA A 98 -9.517 -0.213 8.749 1.00 0.65 H new ATOM 1601 N GLY A 99 -11.488 1.176 10.074 1.00 1.13 N ATOM 1602 CA GLY A 99 -12.155 1.402 11.389 1.00 1.47 C ATOM 1603 C GLY A 99 -12.281 0.076 12.143 1.00 1.79 C ATOM 1604 O GLY A 99 -13.181 -0.114 12.937 1.00 2.21 O ATOM 0 H GLY A 99 -10.544 1.555 9.995 1.00 1.13 H new ATOM 0 HA2 GLY A 99 -11.580 2.114 11.981 1.00 1.47 H new ATOM 0 HA3 GLY A 99 -13.142 1.839 11.236 1.00 1.47 H new ATOM 1608 N LEU A 100 -11.386 -0.842 11.905 1.00 1.74 N ATOM 1609 CA LEU A 100 -11.454 -2.154 12.609 1.00 2.15 C ATOM 1610 C LEU A 100 -10.264 -2.266 13.569 1.00 2.02 C ATOM 1611 O LEU A 100 -9.722 -1.274 14.007 1.00 2.38 O ATOM 1612 CB LEU A 100 -11.401 -3.284 11.579 1.00 2.34 C ATOM 1613 CG LEU A 100 -12.342 -4.413 12.006 1.00 2.54 C ATOM 1614 CD1 LEU A 100 -13.734 -4.169 11.422 1.00 3.38 C ATOM 1615 CD2 LEU A 100 -11.801 -5.748 11.491 1.00 2.40 C ATOM 0 H LEU A 100 -10.609 -0.740 11.252 1.00 1.74 H new ATOM 0 HA LEU A 100 -12.384 -2.228 13.173 1.00 2.15 H new ATOM 0 HB2 LEU A 100 -11.689 -2.908 10.597 1.00 2.34 H new ATOM 0 HB3 LEU A 100 -10.382 -3.661 11.490 1.00 2.34 H new ATOM 0 HG LEU A 100 -12.405 -4.440 13.094 1.00 2.54 H new ATOM 0 HD11 LEU A 100 -14.403 -4.974 11.727 1.00 3.38 H new ATOM 0 HD12 LEU A 100 -14.120 -3.218 11.788 1.00 3.38 H new ATOM 0 HD13 LEU A 100 -13.672 -4.141 10.334 1.00 3.38 H new ATOM 0 HD21 LEU A 100 -12.470 -6.553 11.794 1.00 2.40 H new ATOM 0 HD22 LEU A 100 -11.737 -5.720 10.403 1.00 2.40 H new ATOM 0 HD23 LEU A 100 -10.809 -5.924 11.908 1.00 2.40 H new ATOM 1627 N ASN A 101 -9.854 -3.460 13.902 1.00 1.79 N ATOM 1628 CA ASN A 101 -8.700 -3.617 14.831 1.00 1.66 C ATOM 1629 C ASN A 101 -7.475 -4.089 14.041 1.00 1.36 C ATOM 1630 O ASN A 101 -7.398 -3.915 12.841 1.00 2.11 O ATOM 1631 CB ASN A 101 -9.054 -4.648 15.905 1.00 2.00 C ATOM 1632 CG ASN A 101 -10.575 -4.744 16.033 1.00 3.43 C ATOM 1633 OD1 ASN A 101 -11.249 -3.742 16.167 1.00 3.50 O ATOM 1634 ND2 ASN A 101 -11.149 -5.916 15.995 1.00 4.84 N ATOM 0 H ASN A 101 -10.268 -4.332 13.571 1.00 1.79 H new ATOM 0 HA ASN A 101 -8.475 -2.663 15.307 1.00 1.66 H new ATOM 0 HB2 ASN A 101 -8.638 -5.621 15.643 1.00 2.00 H new ATOM 0 HB3 ASN A 101 -8.615 -4.360 16.860 1.00 2.00 H new ATOM 0 HD21 ASN A 101 -12.163 -5.990 16.078 1.00 4.84 H new ATOM 0 HD22 ASN A 101 -10.584 -6.757 15.882 1.00 4.84 H new ATOM 1641 N SER A 102 -6.514 -4.682 14.701 1.00 0.55 N ATOM 1642 CA SER A 102 -5.300 -5.159 13.980 1.00 1.10 C ATOM 1643 C SER A 102 -5.713 -6.077 12.826 1.00 0.85 C ATOM 1644 O SER A 102 -6.878 -6.363 12.633 1.00 0.67 O ATOM 1645 CB SER A 102 -4.402 -5.930 14.948 1.00 1.53 C ATOM 1646 OG SER A 102 -3.118 -6.098 14.365 1.00 2.84 O ATOM 0 H SER A 102 -6.519 -4.856 15.706 1.00 0.55 H new ATOM 0 HA SER A 102 -4.756 -4.302 13.583 1.00 1.10 H new ATOM 0 HB2 SER A 102 -4.318 -5.391 15.892 1.00 1.53 H new ATOM 0 HB3 SER A 102 -4.841 -6.902 15.174 1.00 1.53 H new ATOM 0 HG SER A 102 -2.540 -6.590 14.984 1.00 2.84 H new ATOM 1652 N CYS A 103 -4.766 -6.544 12.056 1.00 0.88 N ATOM 1653 CA CYS A 103 -5.105 -7.438 10.916 1.00 0.73 C ATOM 1654 C CYS A 103 -3.962 -8.432 10.701 1.00 0.71 C ATOM 1655 O CYS A 103 -3.165 -8.275 9.798 1.00 0.97 O ATOM 1656 CB CYS A 103 -5.297 -6.597 9.654 1.00 0.96 C ATOM 1657 SG CYS A 103 -4.651 -4.932 9.942 1.00 1.68 S ATOM 0 H CYS A 103 -3.772 -6.343 12.169 1.00 0.88 H new ATOM 0 HA CYS A 103 -6.025 -7.981 11.133 1.00 0.73 H new ATOM 0 HB2 CYS A 103 -4.781 -7.059 8.813 1.00 0.96 H new ATOM 0 HB3 CYS A 103 -6.354 -6.549 9.392 1.00 0.96 H new ATOM 1662 N PRO A 104 -3.916 -9.426 11.547 1.00 0.48 N ATOM 1663 CA PRO A 104 -2.874 -10.463 11.481 1.00 0.46 C ATOM 1664 C PRO A 104 -2.891 -11.150 10.115 1.00 0.32 C ATOM 1665 O PRO A 104 -3.594 -12.119 9.904 1.00 0.30 O ATOM 1666 CB PRO A 104 -3.238 -11.456 12.593 1.00 0.55 C ATOM 1667 CG PRO A 104 -4.491 -10.906 13.322 1.00 0.69 C ATOM 1668 CD PRO A 104 -4.896 -9.595 12.631 1.00 0.49 C ATOM 0 HA PRO A 104 -1.872 -10.053 11.611 1.00 0.46 H new ATOM 0 HB2 PRO A 104 -3.441 -12.442 12.175 1.00 0.55 H new ATOM 0 HB3 PRO A 104 -2.408 -11.570 13.291 1.00 0.55 H new ATOM 0 HG2 PRO A 104 -5.306 -11.628 13.279 1.00 0.69 H new ATOM 0 HG3 PRO A 104 -4.274 -10.732 14.376 1.00 0.69 H new ATOM 0 HD2 PRO A 104 -5.912 -9.651 12.241 1.00 0.49 H new ATOM 0 HD3 PRO A 104 -4.867 -8.756 13.326 1.00 0.49 H new ATOM 1676 N VAL A 105 -2.117 -10.655 9.187 1.00 0.63 N ATOM 1677 CA VAL A 105 -2.076 -11.279 7.832 1.00 0.84 C ATOM 1678 C VAL A 105 -1.775 -12.773 7.976 1.00 1.18 C ATOM 1679 O VAL A 105 -0.906 -13.168 8.728 1.00 1.46 O ATOM 1680 CB VAL A 105 -0.980 -10.617 6.994 1.00 1.02 C ATOM 1681 CG1 VAL A 105 0.333 -10.611 7.782 1.00 1.00 C ATOM 1682 CG2 VAL A 105 -0.788 -11.402 5.695 1.00 2.29 C ATOM 0 H VAL A 105 -1.510 -9.844 9.309 1.00 0.63 H new ATOM 0 HA VAL A 105 -3.038 -11.143 7.338 1.00 0.84 H new ATOM 0 HB VAL A 105 -1.270 -9.592 6.762 1.00 1.02 H new ATOM 0 HG11 VAL A 105 1.114 -10.139 7.185 1.00 1.00 H new ATOM 0 HG12 VAL A 105 0.198 -10.053 8.709 1.00 1.00 H new ATOM 0 HG13 VAL A 105 0.623 -11.636 8.014 1.00 1.00 H new ATOM 0 HG21 VAL A 105 -0.007 -10.931 5.097 1.00 2.29 H new ATOM 0 HG22 VAL A 105 -0.498 -12.426 5.928 1.00 2.29 H new ATOM 0 HG23 VAL A 105 -1.722 -11.408 5.132 1.00 2.29 H new ATOM 1692 N LYS A 106 -2.485 -13.607 7.268 1.00 1.43 N ATOM 1693 CA LYS A 106 -2.233 -15.072 7.378 1.00 1.78 C ATOM 1694 C LYS A 106 -2.016 -15.668 5.984 1.00 1.59 C ATOM 1695 O LYS A 106 -0.896 -15.828 5.540 1.00 1.45 O ATOM 1696 CB LYS A 106 -3.434 -15.745 8.046 1.00 2.72 C ATOM 1697 CG LYS A 106 -3.215 -15.799 9.559 1.00 2.99 C ATOM 1698 CD LYS A 106 -3.338 -17.247 10.040 1.00 3.50 C ATOM 1699 CE LYS A 106 -4.077 -17.277 11.377 1.00 4.20 C ATOM 1700 NZ LYS A 106 -3.126 -16.948 12.477 1.00 3.84 N ATOM 0 H LYS A 106 -3.226 -13.339 6.620 1.00 1.43 H new ATOM 0 HA LYS A 106 -1.340 -15.241 7.980 1.00 1.78 H new ATOM 0 HB2 LYS A 106 -4.346 -15.192 7.820 1.00 2.72 H new ATOM 0 HB3 LYS A 106 -3.566 -16.752 7.651 1.00 2.72 H new ATOM 0 HG2 LYS A 106 -2.231 -15.404 9.809 1.00 2.99 H new ATOM 0 HG3 LYS A 106 -3.949 -15.172 10.066 1.00 2.99 H new ATOM 0 HD2 LYS A 106 -3.875 -17.843 9.302 1.00 3.50 H new ATOM 0 HD3 LYS A 106 -2.348 -17.691 10.149 1.00 3.50 H new ATOM 0 HE2 LYS A 106 -4.899 -16.562 11.366 1.00 4.20 H new ATOM 0 HE3 LYS A 106 -4.514 -18.262 11.542 1.00 4.20 H new ATOM 0 HZ1 LYS A 106 -3.628 -16.968 13.388 1.00 3.84 H new ATOM 0 HZ2 LYS A 106 -2.356 -17.647 12.491 1.00 3.84 H new ATOM 0 HZ3 LYS A 106 -2.730 -15.999 12.321 1.00 3.84 H new ATOM 1714 N GLU A 107 -3.070 -16.000 5.286 1.00 2.07 N ATOM 1715 CA GLU A 107 -2.904 -16.582 3.927 1.00 1.94 C ATOM 1716 C GLU A 107 -2.081 -15.624 3.069 1.00 1.58 C ATOM 1717 O GLU A 107 -2.594 -14.665 2.527 1.00 2.01 O ATOM 1718 CB GLU A 107 -4.278 -16.788 3.287 1.00 2.48 C ATOM 1719 CG GLU A 107 -4.114 -17.476 1.932 1.00 3.28 C ATOM 1720 CD GLU A 107 -5.476 -17.589 1.247 1.00 4.09 C ATOM 1721 OE1 GLU A 107 -6.267 -16.670 1.390 1.00 3.77 O ATOM 1722 OE2 GLU A 107 -5.707 -18.592 0.593 1.00 5.23 O ATOM 0 H GLU A 107 -4.035 -15.893 5.599 1.00 2.07 H new ATOM 0 HA GLU A 107 -2.393 -17.542 4.000 1.00 1.94 H new ATOM 0 HB2 GLU A 107 -4.907 -17.393 3.940 1.00 2.48 H new ATOM 0 HB3 GLU A 107 -4.779 -15.828 3.161 1.00 2.48 H new ATOM 0 HG2 GLU A 107 -3.426 -16.908 1.305 1.00 3.28 H new ATOM 0 HG3 GLU A 107 -3.679 -18.467 2.066 1.00 3.28 H new ATOM 1729 N ALA A 108 -0.806 -15.868 2.944 1.00 1.13 N ATOM 1730 CA ALA A 108 0.041 -14.961 2.125 1.00 1.16 C ATOM 1731 C ALA A 108 1.325 -15.682 1.712 1.00 1.21 C ATOM 1732 O ALA A 108 1.972 -16.329 2.512 1.00 1.14 O ATOM 1733 CB ALA A 108 0.395 -13.722 2.946 1.00 1.11 C ATOM 0 H ALA A 108 -0.317 -16.654 3.372 1.00 1.13 H new ATOM 0 HA ALA A 108 -0.507 -14.665 1.231 1.00 1.16 H new ATOM 0 HB1 ALA A 108 1.016 -13.055 2.348 1.00 1.11 H new ATOM 0 HB2 ALA A 108 -0.519 -13.204 3.236 1.00 1.11 H new ATOM 0 HB3 ALA A 108 0.941 -14.022 3.840 1.00 1.11 H new ATOM 1739 N ASP A 109 1.700 -15.568 0.467 1.00 1.62 N ATOM 1740 CA ASP A 109 2.944 -16.237 -0.005 1.00 1.77 C ATOM 1741 C ASP A 109 4.000 -15.172 -0.303 1.00 1.58 C ATOM 1742 O ASP A 109 3.723 -13.990 -0.277 1.00 1.86 O ATOM 1743 CB ASP A 109 2.643 -17.030 -1.277 1.00 2.22 C ATOM 1744 CG ASP A 109 1.423 -17.924 -1.044 1.00 3.22 C ATOM 1745 OD1 ASP A 109 1.206 -18.311 0.092 1.00 3.32 O ATOM 1746 OD2 ASP A 109 0.727 -18.204 -2.006 1.00 4.09 O ATOM 0 H ASP A 109 1.197 -15.039 -0.245 1.00 1.62 H new ATOM 0 HA ASP A 109 3.314 -16.916 0.764 1.00 1.77 H new ATOM 0 HB2 ASP A 109 2.455 -16.349 -2.107 1.00 2.22 H new ATOM 0 HB3 ASP A 109 3.505 -17.637 -1.552 1.00 2.22 H new ATOM 1751 N GLN A 110 5.206 -15.578 -0.584 1.00 1.15 N ATOM 1752 CA GLN A 110 6.269 -14.578 -0.880 1.00 0.99 C ATOM 1753 C GLN A 110 6.135 -14.107 -2.329 1.00 0.99 C ATOM 1754 O GLN A 110 6.580 -14.763 -3.250 1.00 1.08 O ATOM 1755 CB GLN A 110 7.647 -15.215 -0.678 1.00 1.04 C ATOM 1756 CG GLN A 110 8.461 -14.381 0.315 1.00 0.56 C ATOM 1757 CD GLN A 110 8.541 -15.117 1.655 1.00 0.59 C ATOM 1758 OE1 GLN A 110 9.578 -15.136 2.290 1.00 0.62 O ATOM 1759 NE2 GLN A 110 7.484 -15.726 2.115 1.00 1.89 N ATOM 0 H GLN A 110 5.501 -16.554 -0.622 1.00 1.15 H new ATOM 0 HA GLN A 110 6.162 -13.727 -0.207 1.00 0.99 H new ATOM 0 HB2 GLN A 110 7.536 -16.234 -0.307 1.00 1.04 H new ATOM 0 HB3 GLN A 110 8.172 -15.278 -1.631 1.00 1.04 H new ATOM 0 HG2 GLN A 110 9.463 -14.206 -0.076 1.00 0.56 H new ATOM 0 HG3 GLN A 110 7.997 -13.404 0.452 1.00 0.56 H new ATOM 0 HE21 GLN A 110 6.614 -15.710 1.583 1.00 1.89 H new ATOM 0 HE22 GLN A 110 7.527 -16.218 3.007 1.00 1.89 H new ATOM 1768 N SER A 111 5.530 -12.971 -2.536 1.00 0.96 N ATOM 1769 CA SER A 111 5.371 -12.451 -3.923 1.00 1.01 C ATOM 1770 C SER A 111 6.108 -11.118 -4.042 1.00 0.97 C ATOM 1771 O SER A 111 5.965 -10.252 -3.205 1.00 1.33 O ATOM 1772 CB SER A 111 3.888 -12.242 -4.223 1.00 1.01 C ATOM 1773 OG SER A 111 3.238 -13.506 -4.283 1.00 1.74 O ATOM 0 H SER A 111 5.138 -12.379 -1.804 1.00 0.96 H new ATOM 0 HA SER A 111 5.784 -13.166 -4.634 1.00 1.01 H new ATOM 0 HB2 SER A 111 3.433 -11.622 -3.450 1.00 1.01 H new ATOM 0 HB3 SER A 111 3.767 -11.713 -5.168 1.00 1.01 H new ATOM 0 HG SER A 111 2.394 -13.417 -4.773 1.00 1.74 H new ATOM 1779 N THR A 112 6.895 -10.947 -5.071 1.00 0.88 N ATOM 1780 CA THR A 112 7.645 -9.666 -5.231 1.00 0.82 C ATOM 1781 C THR A 112 6.673 -8.490 -5.147 1.00 0.70 C ATOM 1782 O THR A 112 5.545 -8.571 -5.591 1.00 0.64 O ATOM 1783 CB THR A 112 8.369 -9.643 -6.580 1.00 1.02 C ATOM 1784 OG1 THR A 112 7.423 -9.459 -7.623 1.00 1.32 O ATOM 1785 CG2 THR A 112 9.115 -10.961 -6.789 1.00 1.00 C ATOM 0 H THR A 112 7.051 -11.637 -5.806 1.00 0.88 H new ATOM 0 HA THR A 112 8.383 -9.585 -4.433 1.00 0.82 H new ATOM 0 HB THR A 112 9.085 -8.821 -6.591 1.00 1.02 H new ATOM 0 HG1 THR A 112 7.868 -9.066 -8.403 1.00 1.32 H new ATOM 0 HG21 THR A 112 9.629 -10.940 -7.750 1.00 1.00 H new ATOM 0 HG22 THR A 112 9.845 -11.097 -5.991 1.00 1.00 H new ATOM 0 HG23 THR A 112 8.404 -11.787 -6.775 1.00 1.00 H new ATOM 1793 N LEU A 113 7.098 -7.401 -4.568 1.00 0.71 N ATOM 1794 CA LEU A 113 6.195 -6.225 -4.440 1.00 0.66 C ATOM 1795 C LEU A 113 5.715 -5.768 -5.821 1.00 0.63 C ATOM 1796 O LEU A 113 4.730 -5.076 -5.936 1.00 0.61 O ATOM 1797 CB LEU A 113 6.936 -5.081 -3.751 1.00 0.79 C ATOM 1798 CG LEU A 113 5.921 -4.043 -3.269 1.00 0.85 C ATOM 1799 CD1 LEU A 113 5.766 -4.145 -1.751 1.00 0.52 C ATOM 1800 CD2 LEU A 113 6.409 -2.641 -3.639 1.00 1.26 C ATOM 0 H LEU A 113 8.032 -7.276 -4.178 1.00 0.71 H new ATOM 0 HA LEU A 113 5.329 -6.511 -3.843 1.00 0.66 H new ATOM 0 HB2 LEU A 113 7.514 -5.461 -2.908 1.00 0.79 H new ATOM 0 HB3 LEU A 113 7.644 -4.622 -4.441 1.00 0.79 H new ATOM 0 HG LEU A 113 4.958 -4.230 -3.745 1.00 0.85 H new ATOM 0 HD11 LEU A 113 5.043 -3.405 -1.409 1.00 0.52 H new ATOM 0 HD12 LEU A 113 5.417 -5.143 -1.487 1.00 0.52 H new ATOM 0 HD13 LEU A 113 6.728 -3.960 -1.274 1.00 0.52 H new ATOM 0 HD21 LEU A 113 5.686 -1.902 -3.295 1.00 1.26 H new ATOM 0 HD22 LEU A 113 7.372 -2.454 -3.164 1.00 1.26 H new ATOM 0 HD23 LEU A 113 6.517 -2.567 -4.721 1.00 1.26 H new ATOM 1812 N GLU A 114 6.389 -6.141 -6.874 1.00 0.66 N ATOM 1813 CA GLU A 114 5.930 -5.710 -8.225 1.00 0.63 C ATOM 1814 C GLU A 114 4.488 -6.180 -8.438 1.00 0.54 C ATOM 1815 O GLU A 114 3.593 -5.393 -8.689 1.00 0.52 O ATOM 1816 CB GLU A 114 6.834 -6.328 -9.294 1.00 0.62 C ATOM 1817 CG GLU A 114 8.282 -5.894 -9.057 1.00 0.67 C ATOM 1818 CD GLU A 114 9.229 -6.986 -9.557 1.00 1.22 C ATOM 1819 OE1 GLU A 114 8.755 -7.904 -10.206 1.00 1.39 O ATOM 1820 OE2 GLU A 114 10.414 -6.888 -9.280 1.00 2.13 O ATOM 0 H GLU A 114 7.229 -6.719 -6.859 1.00 0.66 H new ATOM 0 HA GLU A 114 5.977 -4.624 -8.300 1.00 0.63 H new ATOM 0 HB2 GLU A 114 6.760 -7.415 -9.263 1.00 0.62 H new ATOM 0 HB3 GLU A 114 6.508 -6.015 -10.286 1.00 0.62 H new ATOM 0 HG2 GLU A 114 8.482 -4.958 -9.578 1.00 0.67 H new ATOM 0 HG3 GLU A 114 8.449 -5.711 -7.996 1.00 0.67 H new ATOM 1827 N ASN A 115 4.257 -7.459 -8.334 1.00 0.49 N ATOM 1828 CA ASN A 115 2.877 -7.992 -8.529 1.00 0.40 C ATOM 1829 C ASN A 115 1.969 -7.553 -7.373 1.00 0.34 C ATOM 1830 O ASN A 115 0.762 -7.585 -7.486 1.00 0.17 O ATOM 1831 CB ASN A 115 2.924 -9.520 -8.586 1.00 0.38 C ATOM 1832 CG ASN A 115 3.640 -9.963 -9.863 1.00 1.47 C ATOM 1833 OD1 ASN A 115 4.698 -9.459 -10.187 1.00 2.60 O ATOM 1834 ND2 ASN A 115 3.106 -10.892 -10.607 1.00 1.51 N ATOM 0 H ASN A 115 4.966 -8.161 -8.122 1.00 0.49 H new ATOM 0 HA ASN A 115 2.476 -7.600 -9.463 1.00 0.40 H new ATOM 0 HB2 ASN A 115 3.444 -9.911 -7.711 1.00 0.38 H new ATOM 0 HB3 ASN A 115 1.913 -9.926 -8.564 1.00 0.38 H new ATOM 0 HD21 ASN A 115 3.576 -11.195 -11.460 1.00 1.51 H new ATOM 0 HD22 ASN A 115 2.218 -11.315 -10.336 1.00 1.51 H new ATOM 1841 N PHE A 116 2.529 -7.142 -6.265 1.00 0.50 N ATOM 1842 CA PHE A 116 1.672 -6.703 -5.127 1.00 0.46 C ATOM 1843 C PHE A 116 0.974 -5.398 -5.510 1.00 0.45 C ATOM 1844 O PHE A 116 -0.232 -5.345 -5.659 1.00 0.48 O ATOM 1845 CB PHE A 116 2.542 -6.472 -3.890 1.00 0.71 C ATOM 1846 CG PHE A 116 1.703 -5.879 -2.782 1.00 0.55 C ATOM 1847 CD1 PHE A 116 0.754 -6.669 -2.121 1.00 0.33 C ATOM 1848 CD2 PHE A 116 1.877 -4.539 -2.412 1.00 0.70 C ATOM 1849 CE1 PHE A 116 -0.019 -6.121 -1.091 1.00 0.17 C ATOM 1850 CE2 PHE A 116 1.103 -3.990 -1.382 1.00 0.60 C ATOM 1851 CZ PHE A 116 0.156 -4.782 -0.721 1.00 0.30 C ATOM 0 H PHE A 116 3.534 -7.092 -6.101 1.00 0.50 H new ATOM 0 HA PHE A 116 0.930 -7.470 -4.905 1.00 0.46 H new ATOM 0 HB2 PHE A 116 2.982 -7.414 -3.562 1.00 0.71 H new ATOM 0 HB3 PHE A 116 3.367 -5.802 -4.133 1.00 0.71 H new ATOM 0 HD1 PHE A 116 0.619 -7.702 -2.406 1.00 0.33 H new ATOM 0 HD2 PHE A 116 2.608 -3.929 -2.921 1.00 0.70 H new ATOM 0 HE1 PHE A 116 -0.750 -6.731 -0.582 1.00 0.17 H new ATOM 0 HE2 PHE A 116 1.236 -2.957 -1.098 1.00 0.60 H new ATOM 0 HZ PHE A 116 -0.440 -4.360 0.075 1.00 0.30 H new ATOM 1861 N LEU A 117 1.731 -4.349 -5.683 1.00 0.57 N ATOM 1862 CA LEU A 117 1.132 -3.045 -6.071 1.00 0.66 C ATOM 1863 C LEU A 117 0.280 -3.244 -7.325 1.00 0.57 C ATOM 1864 O LEU A 117 -0.681 -2.540 -7.547 1.00 0.65 O ATOM 1865 CB LEU A 117 2.245 -2.034 -6.356 1.00 0.85 C ATOM 1866 CG LEU A 117 2.350 -1.050 -5.188 1.00 0.92 C ATOM 1867 CD1 LEU A 117 3.418 -1.534 -4.206 1.00 0.86 C ATOM 1868 CD2 LEU A 117 2.735 0.332 -5.720 1.00 1.89 C ATOM 0 H LEU A 117 2.745 -4.342 -5.571 1.00 0.57 H new ATOM 0 HA LEU A 117 0.509 -2.668 -5.260 1.00 0.66 H new ATOM 0 HB2 LEU A 117 3.194 -2.551 -6.496 1.00 0.85 H new ATOM 0 HB3 LEU A 117 2.035 -1.497 -7.281 1.00 0.85 H new ATOM 0 HG LEU A 117 1.389 -0.989 -4.677 1.00 0.92 H new ATOM 0 HD11 LEU A 117 3.492 -0.833 -3.375 1.00 0.86 H new ATOM 0 HD12 LEU A 117 3.144 -2.519 -3.827 1.00 0.86 H new ATOM 0 HD13 LEU A 117 4.380 -1.596 -4.716 1.00 0.86 H new ATOM 0 HD21 LEU A 117 2.810 1.034 -4.889 1.00 1.89 H new ATOM 0 HD22 LEU A 117 3.696 0.270 -6.231 1.00 1.89 H new ATOM 0 HD23 LEU A 117 1.974 0.678 -6.419 1.00 1.89 H new ATOM 1880 N GLU A 118 0.619 -4.207 -8.141 1.00 0.46 N ATOM 1881 CA GLU A 118 -0.186 -4.457 -9.368 1.00 0.46 C ATOM 1882 C GLU A 118 -1.620 -4.807 -8.959 1.00 0.43 C ATOM 1883 O GLU A 118 -2.574 -4.193 -9.397 1.00 0.52 O ATOM 1884 CB GLU A 118 0.427 -5.625 -10.142 1.00 0.39 C ATOM 1885 CG GLU A 118 -0.333 -5.829 -11.452 1.00 0.39 C ATOM 1886 CD GLU A 118 0.663 -5.939 -12.607 1.00 0.54 C ATOM 1887 OE1 GLU A 118 1.300 -6.974 -12.718 1.00 1.25 O ATOM 1888 OE2 GLU A 118 0.776 -4.985 -13.359 1.00 1.11 O ATOM 0 H GLU A 118 1.417 -4.829 -8.010 1.00 0.46 H new ATOM 0 HA GLU A 118 -0.192 -3.568 -9.999 1.00 0.46 H new ATOM 0 HB2 GLU A 118 1.479 -5.426 -10.348 1.00 0.39 H new ATOM 0 HB3 GLU A 118 0.386 -6.534 -9.541 1.00 0.39 H new ATOM 0 HG2 GLU A 118 -0.941 -6.732 -11.395 1.00 0.39 H new ATOM 0 HG3 GLU A 118 -1.014 -4.996 -11.623 1.00 0.39 H new ATOM 1895 N ARG A 119 -1.771 -5.785 -8.108 1.00 0.33 N ATOM 1896 CA ARG A 119 -3.133 -6.182 -7.645 1.00 0.32 C ATOM 1897 C ARG A 119 -3.721 -5.083 -6.750 1.00 0.33 C ATOM 1898 O ARG A 119 -4.888 -5.108 -6.424 1.00 0.42 O ATOM 1899 CB ARG A 119 -3.045 -7.484 -6.842 1.00 0.26 C ATOM 1900 CG ARG A 119 -2.327 -8.559 -7.663 1.00 0.15 C ATOM 1901 CD ARG A 119 -3.354 -9.374 -8.452 1.00 0.26 C ATOM 1902 NE ARG A 119 -2.675 -10.547 -9.091 1.00 1.11 N ATOM 1903 CZ ARG A 119 -1.643 -10.397 -9.883 1.00 2.43 C ATOM 1904 NH1 ARG A 119 -1.336 -9.225 -10.382 1.00 3.60 N ATOM 1905 NH2 ARG A 119 -0.960 -11.448 -10.250 1.00 3.24 N ATOM 0 H ARG A 119 -1.005 -6.330 -7.711 1.00 0.33 H new ATOM 0 HA ARG A 119 -3.774 -6.327 -8.515 1.00 0.32 H new ATOM 0 HB2 ARG A 119 -2.510 -7.310 -5.909 1.00 0.26 H new ATOM 0 HB3 ARG A 119 -4.046 -7.825 -6.577 1.00 0.26 H new ATOM 0 HG2 ARG A 119 -1.615 -8.095 -8.345 1.00 0.15 H new ATOM 0 HG3 ARG A 119 -1.757 -9.214 -7.004 1.00 0.15 H new ATOM 0 HD2 ARG A 119 -4.149 -9.717 -7.790 1.00 0.26 H new ATOM 0 HD3 ARG A 119 -3.821 -8.751 -9.214 1.00 0.26 H new ATOM 0 HE ARG A 119 -3.026 -11.486 -8.904 1.00 1.11 H new ATOM 0 HH11 ARG A 119 -1.905 -8.409 -10.155 1.00 3.60 H new ATOM 0 HH12 ARG A 119 -0.528 -9.128 -10.997 1.00 3.60 H new ATOM 0 HH21 ARG A 119 -1.232 -12.374 -9.920 1.00 3.24 H new ATOM 0 HH22 ARG A 119 -0.154 -11.343 -10.867 1.00 3.24 H new ATOM 1919 N LEU A 120 -2.936 -4.118 -6.343 1.00 0.36 N ATOM 1920 CA LEU A 120 -3.490 -3.038 -5.481 1.00 0.39 C ATOM 1921 C LEU A 120 -4.207 -2.020 -6.363 1.00 0.47 C ATOM 1922 O LEU A 120 -5.239 -1.500 -6.008 1.00 0.40 O ATOM 1923 CB LEU A 120 -2.356 -2.340 -4.726 1.00 0.43 C ATOM 1924 CG LEU A 120 -2.660 -2.322 -3.226 1.00 0.48 C ATOM 1925 CD1 LEU A 120 -1.578 -3.103 -2.482 1.00 0.70 C ATOM 1926 CD2 LEU A 120 -2.682 -0.875 -2.722 1.00 0.87 C ATOM 0 H LEU A 120 -1.945 -4.034 -6.569 1.00 0.36 H new ATOM 0 HA LEU A 120 -4.187 -3.469 -4.762 1.00 0.39 H new ATOM 0 HB2 LEU A 120 -1.414 -2.857 -4.908 1.00 0.43 H new ATOM 0 HB3 LEU A 120 -2.236 -1.321 -5.094 1.00 0.43 H new ATOM 0 HG LEU A 120 -3.632 -2.781 -3.047 1.00 0.48 H new ATOM 0 HD11 LEU A 120 -1.791 -3.092 -1.413 1.00 0.70 H new ATOM 0 HD12 LEU A 120 -1.562 -4.133 -2.839 1.00 0.70 H new ATOM 0 HD13 LEU A 120 -0.607 -2.642 -2.663 1.00 0.70 H new ATOM 0 HD21 LEU A 120 -2.899 -0.865 -1.654 1.00 0.87 H new ATOM 0 HD22 LEU A 120 -1.711 -0.413 -2.900 1.00 0.87 H new ATOM 0 HD23 LEU A 120 -3.452 -0.316 -3.254 1.00 0.87 H new ATOM 1938 N LYS A 121 -3.665 -1.743 -7.517 1.00 0.64 N ATOM 1939 CA LYS A 121 -4.309 -0.764 -8.437 1.00 0.74 C ATOM 1940 C LYS A 121 -5.543 -1.402 -9.064 1.00 0.75 C ATOM 1941 O LYS A 121 -6.525 -0.747 -9.347 1.00 0.82 O ATOM 1942 CB LYS A 121 -3.328 -0.405 -9.552 1.00 0.79 C ATOM 1943 CG LYS A 121 -3.749 0.913 -10.202 1.00 1.00 C ATOM 1944 CD LYS A 121 -3.007 1.081 -11.529 1.00 0.76 C ATOM 1945 CE LYS A 121 -3.631 0.162 -12.582 1.00 1.17 C ATOM 1946 NZ LYS A 121 -2.569 -0.313 -13.514 1.00 1.45 N ATOM 0 H LYS A 121 -2.799 -2.155 -7.864 1.00 0.64 H new ATOM 0 HA LYS A 121 -4.590 0.130 -7.880 1.00 0.74 H new ATOM 0 HB2 LYS A 121 -2.319 -0.317 -9.148 1.00 0.79 H new ATOM 0 HB3 LYS A 121 -3.304 -1.199 -10.299 1.00 0.79 H new ATOM 0 HG2 LYS A 121 -4.826 0.921 -10.371 1.00 1.00 H new ATOM 0 HG3 LYS A 121 -3.524 1.748 -9.538 1.00 1.00 H new ATOM 0 HD2 LYS A 121 -3.060 2.119 -11.859 1.00 0.76 H new ATOM 0 HD3 LYS A 121 -1.952 0.841 -11.401 1.00 0.76 H new ATOM 0 HE2 LYS A 121 -4.114 -0.688 -12.099 1.00 1.17 H new ATOM 0 HE3 LYS A 121 -4.404 0.696 -13.135 1.00 1.17 H new ATOM 0 HZ1 LYS A 121 -2.990 -0.938 -14.231 1.00 1.45 H new ATOM 0 HZ2 LYS A 121 -2.128 0.504 -13.983 1.00 1.45 H new ATOM 0 HZ3 LYS A 121 -1.847 -0.837 -12.979 1.00 1.45 H new ATOM 1960 N THR A 122 -5.486 -2.680 -9.289 1.00 0.75 N ATOM 1961 CA THR A 122 -6.643 -3.386 -9.910 1.00 0.81 C ATOM 1962 C THR A 122 -7.778 -3.502 -8.890 1.00 0.80 C ATOM 1963 O THR A 122 -8.892 -3.075 -9.126 1.00 0.80 O ATOM 1964 CB THR A 122 -6.210 -4.787 -10.377 1.00 0.75 C ATOM 1965 OG1 THR A 122 -4.876 -5.055 -9.969 1.00 0.63 O ATOM 1966 CG2 THR A 122 -6.290 -4.852 -11.899 1.00 0.82 C ATOM 0 H THR A 122 -4.685 -3.273 -9.070 1.00 0.75 H new ATOM 0 HA THR A 122 -6.992 -2.819 -10.773 1.00 0.81 H new ATOM 0 HB THR A 122 -6.872 -5.530 -9.932 1.00 0.75 H new ATOM 0 HG1 THR A 122 -4.505 -5.777 -10.518 1.00 0.63 H new ATOM 0 HG21 THR A 122 -5.985 -5.842 -12.237 1.00 0.82 H new ATOM 0 HG22 THR A 122 -7.314 -4.659 -12.218 1.00 0.82 H new ATOM 0 HG23 THR A 122 -5.628 -4.101 -12.331 1.00 0.82 H new ATOM 1974 N ILE A 123 -7.496 -4.075 -7.760 1.00 0.82 N ATOM 1975 CA ILE A 123 -8.535 -4.235 -6.701 1.00 0.84 C ATOM 1976 C ILE A 123 -8.996 -2.864 -6.196 1.00 0.85 C ATOM 1977 O ILE A 123 -10.072 -2.723 -5.658 1.00 1.04 O ATOM 1978 CB ILE A 123 -7.927 -5.000 -5.530 1.00 0.89 C ATOM 1979 CG1 ILE A 123 -7.466 -6.384 -5.997 1.00 0.79 C ATOM 1980 CG2 ILE A 123 -8.969 -5.154 -4.420 1.00 1.11 C ATOM 1981 CD1 ILE A 123 -8.671 -7.197 -6.478 1.00 0.97 C ATOM 0 H ILE A 123 -6.578 -4.446 -7.517 1.00 0.82 H new ATOM 0 HA ILE A 123 -9.387 -4.772 -7.117 1.00 0.84 H new ATOM 0 HB ILE A 123 -7.069 -4.446 -5.148 1.00 0.89 H new ATOM 0 HG12 ILE A 123 -6.739 -6.283 -6.803 1.00 0.79 H new ATOM 0 HG13 ILE A 123 -6.966 -6.906 -5.181 1.00 0.79 H new ATOM 0 HG21 ILE A 123 -8.532 -5.701 -3.584 1.00 1.11 H new ATOM 0 HG22 ILE A 123 -9.288 -4.168 -4.081 1.00 1.11 H new ATOM 0 HG23 ILE A 123 -9.830 -5.703 -4.803 1.00 1.11 H new ATOM 0 HD11 ILE A 123 -8.338 -8.181 -6.809 1.00 0.97 H new ATOM 0 HD12 ILE A 123 -9.383 -7.311 -5.660 1.00 0.97 H new ATOM 0 HD13 ILE A 123 -9.152 -6.679 -7.308 1.00 0.97 H new ATOM 1993 N MET A 124 -8.177 -1.862 -6.326 1.00 0.76 N ATOM 1994 CA MET A 124 -8.569 -0.513 -5.815 1.00 0.78 C ATOM 1995 C MET A 124 -9.552 0.183 -6.756 1.00 0.83 C ATOM 1996 O MET A 124 -10.564 0.683 -6.334 1.00 0.98 O ATOM 1997 CB MET A 124 -7.326 0.359 -5.670 1.00 0.76 C ATOM 1998 CG MET A 124 -6.679 0.084 -4.315 1.00 0.79 C ATOM 1999 SD MET A 124 -7.380 1.212 -3.091 1.00 0.64 S ATOM 2000 CE MET A 124 -6.062 2.444 -3.154 1.00 0.33 C ATOM 0 H MET A 124 -7.256 -1.913 -6.761 1.00 0.76 H new ATOM 0 HA MET A 124 -9.055 -0.653 -4.849 1.00 0.78 H new ATOM 0 HB2 MET A 124 -6.621 0.146 -6.474 1.00 0.76 H new ATOM 0 HB3 MET A 124 -7.594 1.412 -5.752 1.00 0.76 H new ATOM 0 HG2 MET A 124 -6.853 -0.950 -4.017 1.00 0.79 H new ATOM 0 HG3 MET A 124 -5.599 0.220 -4.378 1.00 0.79 H new ATOM 0 HE1 MET A 124 -5.505 2.429 -2.217 1.00 0.33 H new ATOM 0 HE2 MET A 124 -5.389 2.215 -3.980 1.00 0.33 H new ATOM 0 HE3 MET A 124 -6.495 3.433 -3.302 1.00 0.33 H new ATOM 2010 N ARG A 125 -9.251 0.259 -8.015 1.00 0.79 N ATOM 2011 CA ARG A 125 -10.168 0.974 -8.953 1.00 0.94 C ATOM 2012 C ARG A 125 -11.498 0.227 -9.123 1.00 1.12 C ATOM 2013 O ARG A 125 -12.535 0.835 -9.297 1.00 1.32 O ATOM 2014 CB ARG A 125 -9.484 1.111 -10.316 1.00 1.02 C ATOM 2015 CG ARG A 125 -10.243 2.130 -11.173 1.00 1.40 C ATOM 2016 CD ARG A 125 -10.183 3.507 -10.507 1.00 2.63 C ATOM 2017 NE ARG A 125 -10.402 4.571 -11.533 1.00 3.10 N ATOM 2018 CZ ARG A 125 -10.681 5.805 -11.179 1.00 4.61 C ATOM 2019 NH1 ARG A 125 -10.771 6.146 -9.915 1.00 5.78 N ATOM 2020 NH2 ARG A 125 -10.872 6.710 -12.100 1.00 5.06 N ATOM 0 H ARG A 125 -8.414 -0.139 -8.441 1.00 0.79 H new ATOM 0 HA ARG A 125 -10.386 1.957 -8.534 1.00 0.94 H new ATOM 0 HB2 ARG A 125 -8.450 1.430 -10.185 1.00 1.02 H new ATOM 0 HB3 ARG A 125 -9.458 0.145 -10.820 1.00 1.02 H new ATOM 0 HG2 ARG A 125 -9.807 2.178 -12.171 1.00 1.40 H new ATOM 0 HG3 ARG A 125 -11.280 1.818 -11.294 1.00 1.40 H new ATOM 0 HD2 ARG A 125 -10.941 3.578 -9.727 1.00 2.63 H new ATOM 0 HD3 ARG A 125 -9.216 3.647 -10.025 1.00 2.63 H new ATOM 0 HE ARG A 125 -10.334 4.336 -12.523 1.00 3.10 H new ATOM 0 HH11 ARG A 125 -10.623 5.447 -9.187 1.00 5.78 H new ATOM 0 HH12 ARG A 125 -10.989 7.110 -9.661 1.00 5.78 H new ATOM 0 HH21 ARG A 125 -10.804 6.457 -13.086 1.00 5.06 H new ATOM 0 HH22 ARG A 125 -11.089 7.670 -11.834 1.00 5.06 H new ATOM 2034 N GLU A 126 -11.481 -1.075 -9.117 1.00 1.09 N ATOM 2035 CA GLU A 126 -12.755 -1.831 -9.325 1.00 1.26 C ATOM 2036 C GLU A 126 -13.463 -2.157 -8.000 1.00 1.35 C ATOM 2037 O GLU A 126 -14.676 -2.229 -7.944 1.00 1.72 O ATOM 2038 CB GLU A 126 -12.442 -3.138 -10.053 1.00 1.15 C ATOM 2039 CG GLU A 126 -13.677 -3.597 -10.831 1.00 1.84 C ATOM 2040 CD GLU A 126 -13.608 -5.110 -11.052 1.00 2.08 C ATOM 2041 OE1 GLU A 126 -13.141 -5.799 -10.161 1.00 2.54 O ATOM 2042 OE2 GLU A 126 -14.023 -5.552 -12.110 1.00 2.46 O ATOM 0 H GLU A 126 -10.649 -1.649 -8.979 1.00 1.09 H new ATOM 0 HA GLU A 126 -13.423 -1.201 -9.913 1.00 1.26 H new ATOM 0 HB2 GLU A 126 -11.603 -2.996 -10.734 1.00 1.15 H new ATOM 0 HB3 GLU A 126 -12.145 -3.904 -9.336 1.00 1.15 H new ATOM 0 HG2 GLU A 126 -14.582 -3.340 -10.281 1.00 1.84 H new ATOM 0 HG3 GLU A 126 -13.729 -3.081 -11.790 1.00 1.84 H new ATOM 2049 N LYS A 127 -12.733 -2.406 -6.949 1.00 1.19 N ATOM 2050 CA LYS A 127 -13.393 -2.783 -5.658 1.00 1.59 C ATOM 2051 C LYS A 127 -13.702 -1.563 -4.779 1.00 2.00 C ATOM 2052 O LYS A 127 -14.508 -1.645 -3.874 1.00 2.61 O ATOM 2053 CB LYS A 127 -12.482 -3.740 -4.888 1.00 1.58 C ATOM 2054 CG LYS A 127 -13.335 -4.778 -4.155 1.00 1.81 C ATOM 2055 CD LYS A 127 -13.698 -5.912 -5.115 1.00 1.53 C ATOM 2056 CE LYS A 127 -12.999 -7.201 -4.675 1.00 2.22 C ATOM 2057 NZ LYS A 127 -13.328 -8.296 -5.631 1.00 2.62 N ATOM 0 H LYS A 127 -11.714 -2.366 -6.923 1.00 1.19 H new ATOM 0 HA LYS A 127 -14.342 -3.261 -5.902 1.00 1.59 H new ATOM 0 HB2 LYS A 127 -11.796 -4.237 -5.574 1.00 1.58 H new ATOM 0 HB3 LYS A 127 -11.873 -3.185 -4.175 1.00 1.58 H new ATOM 0 HG2 LYS A 127 -12.789 -5.173 -3.299 1.00 1.81 H new ATOM 0 HG3 LYS A 127 -14.241 -4.312 -3.768 1.00 1.81 H new ATOM 0 HD2 LYS A 127 -14.778 -6.059 -5.129 1.00 1.53 H new ATOM 0 HD3 LYS A 127 -13.399 -5.652 -6.130 1.00 1.53 H new ATOM 0 HE2 LYS A 127 -11.920 -7.048 -4.638 1.00 2.22 H new ATOM 0 HE3 LYS A 127 -13.317 -7.474 -3.669 1.00 2.22 H new ATOM 0 HZ1 LYS A 127 -12.853 -9.172 -5.332 1.00 2.62 H new ATOM 0 HZ2 LYS A 127 -14.357 -8.447 -5.645 1.00 2.62 H new ATOM 0 HZ3 LYS A 127 -13.004 -8.034 -6.584 1.00 2.62 H new ATOM 2071 N TYR A 128 -13.079 -0.440 -5.008 1.00 1.71 N ATOM 2072 CA TYR A 128 -13.374 0.740 -4.137 1.00 2.11 C ATOM 2073 C TYR A 128 -14.671 1.439 -4.580 1.00 2.65 C ATOM 2074 O TYR A 128 -15.067 2.435 -4.010 1.00 3.01 O ATOM 2075 CB TYR A 128 -12.201 1.731 -4.178 1.00 1.61 C ATOM 2076 CG TYR A 128 -12.396 2.745 -5.286 1.00 0.47 C ATOM 2077 CD1 TYR A 128 -12.689 2.327 -6.592 1.00 1.68 C ATOM 2078 CD2 TYR A 128 -12.281 4.112 -5.003 1.00 1.81 C ATOM 2079 CE1 TYR A 128 -12.867 3.272 -7.609 1.00 3.29 C ATOM 2080 CE2 TYR A 128 -12.459 5.057 -6.020 1.00 3.39 C ATOM 2081 CZ TYR A 128 -12.752 4.638 -7.323 1.00 4.05 C ATOM 2082 OH TYR A 128 -12.926 5.569 -8.325 1.00 5.85 O ATOM 0 H TYR A 128 -12.391 -0.286 -5.745 1.00 1.71 H new ATOM 0 HA TYR A 128 -13.508 0.386 -3.115 1.00 2.11 H new ATOM 0 HB2 TYR A 128 -12.118 2.244 -3.220 1.00 1.61 H new ATOM 0 HB3 TYR A 128 -11.267 1.191 -4.333 1.00 1.61 H new ATOM 0 HD1 TYR A 128 -12.778 1.274 -6.814 1.00 1.68 H new ATOM 0 HD2 TYR A 128 -12.055 4.437 -3.998 1.00 1.81 H new ATOM 0 HE1 TYR A 128 -13.093 2.948 -8.614 1.00 3.29 H new ATOM 0 HE2 TYR A 128 -12.370 6.110 -5.799 1.00 3.39 H new ATOM 0 HH TYR A 128 -12.813 6.470 -7.957 1.00 5.85 H new ATOM 2092 N SER A 129 -15.340 0.933 -5.586 1.00 2.79 N ATOM 2093 CA SER A 129 -16.603 1.582 -6.040 1.00 3.46 C ATOM 2094 C SER A 129 -17.811 0.973 -5.312 1.00 4.03 C ATOM 2095 O SER A 129 -18.931 1.092 -5.764 1.00 4.52 O ATOM 2096 CB SER A 129 -16.765 1.374 -7.545 1.00 3.39 C ATOM 2097 OG SER A 129 -17.561 0.219 -7.776 1.00 4.74 O ATOM 0 H SER A 129 -15.066 0.102 -6.109 1.00 2.79 H new ATOM 0 HA SER A 129 -16.553 2.647 -5.813 1.00 3.46 H new ATOM 0 HB2 SER A 129 -17.233 2.249 -7.996 1.00 3.39 H new ATOM 0 HB3 SER A 129 -15.788 1.257 -8.015 1.00 3.39 H new ATOM 0 HG SER A 129 -18.451 0.352 -7.388 1.00 4.74 H new ATOM 2103 N LYS A 130 -17.603 0.320 -4.197 1.00 4.07 N ATOM 2104 CA LYS A 130 -18.758 -0.286 -3.471 1.00 4.70 C ATOM 2105 C LYS A 130 -18.969 0.430 -2.135 1.00 4.61 C ATOM 2106 O LYS A 130 -19.464 -0.146 -1.186 1.00 5.12 O ATOM 2107 CB LYS A 130 -18.482 -1.769 -3.214 1.00 5.13 C ATOM 2108 CG LYS A 130 -19.806 -2.499 -2.974 1.00 6.13 C ATOM 2109 CD LYS A 130 -19.719 -3.303 -1.675 1.00 7.48 C ATOM 2110 CE LYS A 130 -20.885 -4.292 -1.608 1.00 7.98 C ATOM 2111 NZ LYS A 130 -22.057 -3.635 -0.964 1.00 8.70 N ATOM 0 H LYS A 130 -16.691 0.181 -3.761 1.00 4.07 H new ATOM 0 HA LYS A 130 -19.655 -0.181 -4.081 1.00 4.70 H new ATOM 0 HB2 LYS A 130 -17.962 -2.206 -4.066 1.00 5.13 H new ATOM 0 HB3 LYS A 130 -17.829 -1.884 -2.349 1.00 5.13 H new ATOM 0 HG2 LYS A 130 -20.624 -1.781 -2.915 1.00 6.13 H new ATOM 0 HG3 LYS A 130 -20.024 -3.163 -3.811 1.00 6.13 H new ATOM 0 HD2 LYS A 130 -18.771 -3.839 -1.629 1.00 7.48 H new ATOM 0 HD3 LYS A 130 -19.748 -2.632 -0.817 1.00 7.48 H new ATOM 0 HE2 LYS A 130 -21.149 -4.628 -2.611 1.00 7.98 H new ATOM 0 HE3 LYS A 130 -20.594 -5.176 -1.041 1.00 7.98 H new ATOM 0 HZ1 LYS A 130 -22.850 -4.307 -0.918 1.00 8.70 H new ATOM 0 HZ2 LYS A 130 -21.801 -3.335 -0.002 1.00 8.70 H new ATOM 0 HZ3 LYS A 130 -22.339 -2.804 -1.522 1.00 8.70 H new ATOM 2125 N CYS A 131 -18.604 1.680 -2.048 1.00 4.01 N ATOM 2126 CA CYS A 131 -18.795 2.417 -0.767 1.00 3.92 C ATOM 2127 C CYS A 131 -20.119 3.183 -0.811 1.00 4.04 C ATOM 2128 O CYS A 131 -21.047 2.877 -0.089 1.00 4.30 O ATOM 2129 CB CYS A 131 -17.642 3.403 -0.562 1.00 3.32 C ATOM 2130 SG CYS A 131 -17.775 4.140 1.086 1.00 3.35 S ATOM 0 H CYS A 131 -18.184 2.220 -2.804 1.00 4.01 H new ATOM 0 HA CYS A 131 -18.813 1.706 0.059 1.00 3.92 H new ATOM 0 HB2 CYS A 131 -16.686 2.890 -0.668 1.00 3.32 H new ATOM 0 HB3 CYS A 131 -17.673 4.181 -1.325 1.00 3.32 H new ATOM 2135 N SER A 132 -20.217 4.177 -1.651 1.00 3.93 N ATOM 2136 CA SER A 132 -21.483 4.960 -1.738 1.00 4.11 C ATOM 2137 C SER A 132 -21.539 5.692 -3.081 1.00 3.43 C ATOM 2138 O SER A 132 -21.746 6.889 -3.137 1.00 4.46 O ATOM 2139 CB SER A 132 -21.534 5.977 -0.598 1.00 5.47 C ATOM 2140 OG SER A 132 -21.006 5.388 0.582 1.00 6.70 O ATOM 0 H SER A 132 -19.475 4.481 -2.281 1.00 3.93 H new ATOM 0 HA SER A 132 -22.334 4.284 -1.658 1.00 4.11 H new ATOM 0 HB2 SER A 132 -20.961 6.866 -0.862 1.00 5.47 H new ATOM 0 HB3 SER A 132 -22.561 6.299 -0.429 1.00 5.47 H new ATOM 0 HG SER A 132 -21.304 4.456 0.644 1.00 6.70 H new ATOM 2146 N SER A 133 -21.356 4.985 -4.161 1.00 2.42 N ATOM 2147 CA SER A 133 -21.399 5.640 -5.499 1.00 2.03 C ATOM 2148 C SER A 133 -22.820 5.561 -6.061 1.00 1.62 C ATOM 2149 O SER A 133 -23.257 4.462 -6.361 1.00 1.92 O ATOM 2150 CB SER A 133 -20.435 4.926 -6.448 1.00 2.47 C ATOM 2151 OG SER A 133 -19.108 5.365 -6.188 1.00 3.78 O ATOM 2152 OXT SER A 133 -23.447 6.601 -6.182 1.00 1.73 O ATOM 0 H SER A 133 -21.178 3.981 -4.175 1.00 2.42 H new ATOM 0 HA SER A 133 -21.105 6.685 -5.401 1.00 2.03 H new ATOM 0 HB2 SER A 133 -20.506 3.847 -6.313 1.00 2.47 H new ATOM 0 HB3 SER A 133 -20.703 5.136 -7.483 1.00 2.47 H new ATOM 0 HG SER A 133 -18.488 4.908 -6.793 1.00 3.78 H new TER 2158 SER A 133