USER MOD reduce.3.24.130724 H: found=0, std=0, add=857, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 857 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 84 GLN : amide:sc= -0.23 X(o=0.87,f=0.86) USER MOD Set 1.2: A 88 THR OG1 : rot 73:sc= 1.1 USER MOD Set 2.1: A 40 ASN : amide:sc= 0 K(o=-1.3,f=-2) USER MOD Set 2.2: A 43 THR OG1 : rot -149:sc= -1.25 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -127:sc= 0.00597 (180deg=-0.099) USER MOD Single : A 2 SER OG : rot -77:sc= 1.23 USER MOD Single : A 11 LYS NZ :NH3+ -178:sc= 1.24 (180deg=1.2) USER MOD Single : A 14 GLN :FLIP amide:sc= -0.0863 F(o=-1.2,f=-0.086) USER MOD Single : A 16 LYS NZ :NH3+ -128:sc= 0.251 (180deg=-0.00128) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 ASN : amide:sc= -1.02 K(o=-1,f=-7.6!) USER MOD Single : A 22 ASN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 25 MET CE :methyl 141:sc= -0.214 (180deg=-1.15) USER MOD Single : A 26 GLN : amide:sc= 0 K(o=0,f=-0.85) USER MOD Single : A 38 SER OG : rot 180:sc= 0.0415 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot -66:sc= 1.24 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 TYR OH : rot -154:sc= 0.974 USER MOD Single : A 50 SER OG : rot -88:sc= 1.29 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 HIS : no HD1:sc= -1.75 K(o=-1.7,f=-7!) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 ASN : amide:sc= -1.3 X(o=-1.3,f=-1.5) USER MOD Single : A 60 LYS NZ :NH3+ -167:sc= 1.23 (180deg=1.01) USER MOD Single : A 63 TYR OH : rot -159:sc= -0.169 USER MOD Single : A 65 MET CE :methyl -118:sc= -0.537 (180deg=-1.31) USER MOD Single : A 71 GLN : amide:sc= -0.146 K(o=-0.15,f=-1) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot -153:sc= 1.24 USER MOD Single : A 75 LYS NZ :NH3+ -165:sc= 0.927 (180deg=0.729) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 ASN : amide:sc= -0.0323 X(o=-0.032,f=0) USER MOD Single : A 83 ASN : amide:sc= -3.46! C(o=-3.5!,f=-6!) USER MOD Single : A 89 THR OG1 : rot -104:sc= 0.849 USER MOD Single : A 91 LYS NZ :NH3+ 131:sc= -0.149 (180deg=-0.746!) USER MOD Single : A 94 HIS : no HE2:sc= 0.221 K(o=0.22,f=-1.5!) USER MOD Single : A 95 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 96 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 97 HIS : no HD1:sc= 0 X(o=0,f=-0.015) USER MOD Single : A 98 HIS : no HD1:sc= 0 X(o=0,f=-0.0012) USER MOD Single : A 99 HIS : no HD1:sc=-0.00568 X(o=-0.0057,f=-0.013) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.347 16.223 4.651 1.00 0.00 N ATOM 2 CA MET A 1 0.606 14.988 4.377 1.00 0.00 C ATOM 3 C MET A 1 -0.845 15.172 4.759 1.00 0.00 C ATOM 4 O MET A 1 -1.145 15.801 5.784 1.00 0.00 O ATOM 5 CB MET A 1 1.182 13.803 5.166 1.00 0.00 C ATOM 6 CG MET A 1 2.615 13.452 4.827 1.00 0.00 C ATOM 7 SD MET A 1 3.253 12.109 5.840 1.00 0.00 S ATOM 8 CE MET A 1 4.919 11.988 5.200 1.00 0.00 C ATOM 0 H1 MET A 1 1.859 16.518 3.795 1.00 0.00 H new ATOM 0 H2 MET A 1 0.682 16.972 4.931 1.00 0.00 H new ATOM 0 H3 MET A 1 2.026 16.057 5.421 1.00 0.00 H new ATOM 0 HA MET A 1 0.695 14.773 3.312 1.00 0.00 H new ATOM 0 HB2 MET A 1 1.120 14.029 6.231 1.00 0.00 H new ATOM 0 HB3 MET A 1 0.557 12.928 4.989 1.00 0.00 H new ATOM 0 HG2 MET A 1 2.678 13.171 3.776 1.00 0.00 H new ATOM 0 HG3 MET A 1 3.243 14.333 4.960 1.00 0.00 H new ATOM 0 HE1 MET A 1 5.454 11.196 5.725 1.00 0.00 H new ATOM 0 HE2 MET A 1 4.884 11.758 4.135 1.00 0.00 H new ATOM 0 HE3 MET A 1 5.436 12.936 5.349 1.00 0.00 H new ATOM 20 N SER A 2 -1.737 14.659 3.950 1.00 0.00 N ATOM 21 CA SER A 2 -3.146 14.702 4.224 1.00 0.00 C ATOM 22 C SER A 2 -3.707 13.325 3.878 1.00 0.00 C ATOM 23 O SER A 2 -4.169 13.086 2.773 1.00 0.00 O ATOM 24 CB SER A 2 -3.827 15.829 3.403 1.00 0.00 C ATOM 25 OG SER A 2 -5.143 16.127 3.867 1.00 0.00 O ATOM 0 H SER A 2 -1.500 14.195 3.073 1.00 0.00 H new ATOM 0 HA SER A 2 -3.340 14.930 5.272 1.00 0.00 H new ATOM 0 HB2 SER A 2 -3.215 16.730 3.453 1.00 0.00 H new ATOM 0 HB3 SER A 2 -3.874 15.533 2.355 1.00 0.00 H new ATOM 0 HG SER A 2 -5.763 15.432 3.562 1.00 0.00 H new ATOM 31 N ILE A 3 -3.556 12.400 4.802 1.00 0.00 N ATOM 32 CA ILE A 3 -3.938 11.023 4.561 1.00 0.00 C ATOM 33 C ILE A 3 -4.768 10.449 5.731 1.00 0.00 C ATOM 34 O ILE A 3 -5.534 9.502 5.563 1.00 0.00 O ATOM 35 CB ILE A 3 -2.664 10.148 4.291 1.00 0.00 C ATOM 36 CG1 ILE A 3 -3.014 8.703 3.910 1.00 0.00 C ATOM 37 CG2 ILE A 3 -1.702 10.172 5.477 1.00 0.00 C ATOM 38 CD1 ILE A 3 -3.757 8.560 2.599 1.00 0.00 C ATOM 0 H ILE A 3 -3.170 12.576 5.730 1.00 0.00 H new ATOM 0 HA ILE A 3 -4.573 10.998 3.675 1.00 0.00 H new ATOM 0 HB ILE A 3 -2.162 10.598 3.434 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -2.093 8.122 3.856 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -3.619 8.268 4.705 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -0.832 9.555 5.252 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -1.381 11.197 5.665 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -2.205 9.782 6.362 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -3.963 7.506 2.410 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -4.697 9.109 2.652 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -3.147 8.961 1.790 1.00 0.00 H new ATOM 50 N LEU A 4 -4.685 11.085 6.896 1.00 0.00 N ATOM 51 CA LEU A 4 -5.397 10.605 8.092 1.00 0.00 C ATOM 52 C LEU A 4 -6.890 10.968 8.055 1.00 0.00 C ATOM 53 O LEU A 4 -7.610 10.827 9.050 1.00 0.00 O ATOM 54 CB LEU A 4 -4.742 11.144 9.371 1.00 0.00 C ATOM 55 CG LEU A 4 -3.296 10.699 9.639 1.00 0.00 C ATOM 56 CD1 LEU A 4 -2.764 11.360 10.892 1.00 0.00 C ATOM 57 CD2 LEU A 4 -3.213 9.186 9.774 1.00 0.00 C ATOM 0 H LEU A 4 -4.136 11.932 7.044 1.00 0.00 H new ATOM 0 HA LEU A 4 -5.324 9.517 8.096 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -4.762 12.233 9.332 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -5.355 10.844 10.221 1.00 0.00 H new ATOM 0 HG LEU A 4 -2.684 11.006 8.790 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -1.739 11.034 11.068 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -2.785 12.443 10.769 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -3.385 11.080 11.743 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -2.180 8.894 9.963 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -3.840 8.860 10.604 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -3.559 8.719 8.852 1.00 0.00 H new ATOM 69 N GLU A 5 -7.347 11.379 6.895 1.00 0.00 N ATOM 70 CA GLU A 5 -8.726 11.752 6.671 1.00 0.00 C ATOM 71 C GLU A 5 -9.547 10.514 6.319 1.00 0.00 C ATOM 72 O GLU A 5 -10.760 10.589 6.162 1.00 0.00 O ATOM 73 CB GLU A 5 -8.807 12.744 5.510 1.00 0.00 C ATOM 74 CG GLU A 5 -7.918 13.958 5.673 1.00 0.00 C ATOM 75 CD GLU A 5 -8.022 14.915 4.521 1.00 0.00 C ATOM 76 OE1 GLU A 5 -7.366 14.700 3.488 1.00 0.00 O ATOM 77 OE2 GLU A 5 -8.739 15.938 4.645 1.00 0.00 O ATOM 0 H GLU A 5 -6.761 11.465 6.065 1.00 0.00 H new ATOM 0 HA GLU A 5 -9.121 12.209 7.579 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -8.537 12.230 4.587 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -9.840 13.075 5.400 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -8.184 14.476 6.595 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -6.883 13.633 5.777 1.00 0.00 H new ATOM 84 N ASP A 6 -8.872 9.394 6.170 1.00 0.00 N ATOM 85 CA ASP A 6 -9.524 8.156 5.786 1.00 0.00 C ATOM 86 C ASP A 6 -9.480 7.093 6.895 1.00 0.00 C ATOM 87 O ASP A 6 -8.423 6.861 7.509 1.00 0.00 O ATOM 88 CB ASP A 6 -8.905 7.608 4.513 1.00 0.00 C ATOM 89 CG ASP A 6 -9.401 6.231 4.192 1.00 0.00 C ATOM 90 OD1 ASP A 6 -10.605 6.060 3.921 1.00 0.00 O ATOM 91 OD2 ASP A 6 -8.606 5.314 4.191 1.00 0.00 O ATOM 0 H ASP A 6 -7.865 9.314 6.310 1.00 0.00 H new ATOM 0 HA ASP A 6 -10.574 8.392 5.611 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -9.132 8.277 3.683 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -7.820 7.587 4.618 1.00 0.00 H new ATOM 96 N PRO A 7 -10.638 6.468 7.202 1.00 0.00 N ATOM 97 CA PRO A 7 -10.736 5.385 8.185 1.00 0.00 C ATOM 98 C PRO A 7 -10.117 4.054 7.711 1.00 0.00 C ATOM 99 O PRO A 7 -9.710 3.230 8.533 1.00 0.00 O ATOM 100 CB PRO A 7 -12.243 5.188 8.397 1.00 0.00 C ATOM 101 CG PRO A 7 -12.911 6.308 7.680 1.00 0.00 C ATOM 102 CD PRO A 7 -11.953 6.803 6.643 1.00 0.00 C ATOM 0 HA PRO A 7 -10.185 5.656 9.086 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -12.569 4.225 8.005 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -12.492 5.201 9.458 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -13.838 5.970 7.217 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -13.174 7.107 8.374 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -12.116 6.316 5.681 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -12.058 7.876 6.479 1.00 0.00 H new ATOM 110 N GLU A 8 -10.031 3.841 6.415 1.00 0.00 N ATOM 111 CA GLU A 8 -9.488 2.582 5.903 1.00 0.00 C ATOM 112 C GLU A 8 -7.982 2.554 6.186 1.00 0.00 C ATOM 113 O GLU A 8 -7.410 1.525 6.573 1.00 0.00 O ATOM 114 CB GLU A 8 -9.771 2.439 4.399 1.00 0.00 C ATOM 115 CG GLU A 8 -11.242 2.629 4.015 1.00 0.00 C ATOM 116 CD GLU A 8 -12.172 1.585 4.591 1.00 0.00 C ATOM 117 OE1 GLU A 8 -12.565 1.677 5.772 1.00 0.00 O ATOM 118 OE2 GLU A 8 -12.585 0.670 3.852 1.00 0.00 O ATOM 0 H GLU A 8 -10.323 4.506 5.699 1.00 0.00 H new ATOM 0 HA GLU A 8 -9.968 1.740 6.402 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -9.169 3.168 3.857 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -9.447 1.451 4.072 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -11.569 3.614 4.348 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -11.327 2.616 2.928 1.00 0.00 H new ATOM 125 N PHE A 9 -7.372 3.709 6.032 1.00 0.00 N ATOM 126 CA PHE A 9 -5.966 3.929 6.324 1.00 0.00 C ATOM 127 C PHE A 9 -5.641 3.634 7.801 1.00 0.00 C ATOM 128 O PHE A 9 -4.591 3.048 8.114 1.00 0.00 O ATOM 129 CB PHE A 9 -5.587 5.372 5.960 1.00 0.00 C ATOM 130 CG PHE A 9 -4.128 5.689 6.102 1.00 0.00 C ATOM 131 CD1 PHE A 9 -3.235 5.344 5.104 1.00 0.00 C ATOM 132 CD2 PHE A 9 -3.650 6.337 7.231 1.00 0.00 C ATOM 133 CE1 PHE A 9 -1.897 5.638 5.226 1.00 0.00 C ATOM 134 CE2 PHE A 9 -2.308 6.635 7.358 1.00 0.00 C ATOM 135 CZ PHE A 9 -1.430 6.286 6.356 1.00 0.00 C ATOM 0 H PHE A 9 -7.849 4.544 5.692 1.00 0.00 H new ATOM 0 HA PHE A 9 -5.376 3.238 5.722 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -5.889 5.564 4.930 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -6.157 6.054 6.592 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -3.592 4.838 4.219 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -4.335 6.612 8.020 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -1.210 5.363 4.439 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -1.947 7.141 8.241 1.00 0.00 H new ATOM 0 HZ PHE A 9 -0.379 6.518 6.452 1.00 0.00 H new ATOM 145 N VAL A 10 -6.538 4.002 8.713 1.00 0.00 N ATOM 146 CA VAL A 10 -6.283 3.732 10.123 1.00 0.00 C ATOM 147 C VAL A 10 -6.361 2.221 10.396 1.00 0.00 C ATOM 148 O VAL A 10 -5.627 1.690 11.223 1.00 0.00 O ATOM 149 CB VAL A 10 -7.145 4.579 11.136 1.00 0.00 C ATOM 150 CG1 VAL A 10 -8.606 4.190 11.159 1.00 0.00 C ATOM 151 CG2 VAL A 10 -6.549 4.531 12.537 1.00 0.00 C ATOM 0 H VAL A 10 -7.420 4.473 8.510 1.00 0.00 H new ATOM 0 HA VAL A 10 -5.267 4.075 10.317 1.00 0.00 H new ATOM 0 HB VAL A 10 -7.110 5.606 10.772 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -9.137 4.814 11.878 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -9.036 4.332 10.168 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -8.699 3.143 11.448 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -7.164 5.124 13.214 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -6.519 3.498 12.884 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -5.538 4.937 12.516 1.00 0.00 H new ATOM 161 N LYS A 11 -7.243 1.530 9.675 1.00 0.00 N ATOM 162 CA LYS A 11 -7.349 0.070 9.759 1.00 0.00 C ATOM 163 C LYS A 11 -6.026 -0.576 9.332 1.00 0.00 C ATOM 164 O LYS A 11 -5.604 -1.581 9.900 1.00 0.00 O ATOM 165 CB LYS A 11 -8.473 -0.444 8.875 1.00 0.00 C ATOM 166 CG LYS A 11 -9.851 0.046 9.252 1.00 0.00 C ATOM 167 CD LYS A 11 -10.863 -0.398 8.225 1.00 0.00 C ATOM 168 CE LYS A 11 -12.262 0.052 8.575 1.00 0.00 C ATOM 169 NZ LYS A 11 -13.199 -0.261 7.486 1.00 0.00 N ATOM 0 H LYS A 11 -7.899 1.959 9.022 1.00 0.00 H new ATOM 0 HA LYS A 11 -7.569 -0.196 10.793 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -8.268 -0.152 7.845 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -8.470 -1.534 8.904 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -10.126 -0.340 10.234 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -9.850 1.134 9.326 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -10.588 0.001 7.249 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -10.842 -1.485 8.142 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -12.587 -0.438 9.493 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -12.266 1.125 8.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -14.147 0.087 7.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -12.879 0.199 6.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -13.234 -1.291 7.344 1.00 0.00 H new ATOM 183 N LEU A 12 -5.373 0.025 8.343 1.00 0.00 N ATOM 184 CA LEU A 12 -4.057 -0.427 7.876 1.00 0.00 C ATOM 185 C LEU A 12 -3.018 -0.278 8.985 1.00 0.00 C ATOM 186 O LEU A 12 -2.193 -1.166 9.209 1.00 0.00 O ATOM 187 CB LEU A 12 -3.611 0.371 6.651 1.00 0.00 C ATOM 188 CG LEU A 12 -4.460 0.245 5.401 1.00 0.00 C ATOM 189 CD1 LEU A 12 -3.917 1.153 4.327 1.00 0.00 C ATOM 190 CD2 LEU A 12 -4.471 -1.183 4.908 1.00 0.00 C ATOM 0 H LEU A 12 -5.735 0.836 7.841 1.00 0.00 H new ATOM 0 HA LEU A 12 -4.143 -1.478 7.601 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -3.571 1.424 6.929 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -2.594 0.069 6.402 1.00 0.00 H new ATOM 0 HG LEU A 12 -5.483 0.536 5.641 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -4.528 1.061 3.429 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -3.940 2.185 4.677 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -2.890 0.870 4.097 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -5.085 -1.253 4.010 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -3.453 -1.496 4.676 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -4.883 -1.832 5.681 1.00 0.00 H new ATOM 202 N ARG A 13 -3.085 0.841 9.694 1.00 0.00 N ATOM 203 CA ARG A 13 -2.182 1.109 10.819 1.00 0.00 C ATOM 204 C ARG A 13 -2.404 0.097 11.943 1.00 0.00 C ATOM 205 O ARG A 13 -1.478 -0.251 12.669 1.00 0.00 O ATOM 206 CB ARG A 13 -2.369 2.543 11.339 1.00 0.00 C ATOM 207 CG ARG A 13 -1.920 3.625 10.363 1.00 0.00 C ATOM 208 CD ARG A 13 -0.400 3.669 10.226 1.00 0.00 C ATOM 209 NE ARG A 13 0.255 4.140 11.456 1.00 0.00 N ATOM 210 CZ ARG A 13 1.581 4.206 11.654 1.00 0.00 C ATOM 211 NH1 ARG A 13 2.422 3.572 10.845 1.00 0.00 N ATOM 212 NH2 ARG A 13 2.055 4.834 12.716 1.00 0.00 N ATOM 0 H ARG A 13 -3.758 1.586 9.513 1.00 0.00 H new ATOM 0 HA ARG A 13 -1.157 1.006 10.462 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -3.422 2.697 11.576 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -1.813 2.655 12.270 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -2.368 3.442 9.386 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -2.283 4.595 10.703 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -0.030 2.674 9.978 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -0.130 4.325 9.399 1.00 0.00 H new ATOM 0 HE ARG A 13 -0.348 4.441 12.221 1.00 0.00 H new ATOM 0 HH11 ARG A 13 2.063 3.026 10.062 1.00 0.00 H new ATOM 0 HH12 ARG A 13 3.427 3.631 11.007 1.00 0.00 H new ATOM 0 HH21 ARG A 13 1.414 5.266 13.381 1.00 0.00 H new ATOM 0 HH22 ARG A 13 3.062 4.886 12.870 1.00 0.00 H new ATOM 226 N GLN A 14 -3.630 -0.377 12.063 1.00 0.00 N ATOM 227 CA GLN A 14 -3.985 -1.378 13.061 1.00 0.00 C ATOM 228 C GLN A 14 -3.568 -2.773 12.599 1.00 0.00 C ATOM 229 O GLN A 14 -3.317 -3.663 13.412 1.00 0.00 O ATOM 230 CB GLN A 14 -5.484 -1.332 13.342 1.00 0.00 C ATOM 231 CG GLN A 14 -5.946 -0.023 13.956 1.00 0.00 C ATOM 232 CD GLN A 14 -7.447 0.063 14.076 1.00 0.00 C ATOM 233 OE1 GLN A 14 -8.077 0.611 13.076 1.00 0.00 O flip ATOM 234 NE2 GLN A 14 -8.033 -0.338 15.081 1.00 0.00 N flip ATOM 0 H GLN A 14 -4.409 -0.082 11.474 1.00 0.00 H new ATOM 0 HA GLN A 14 -3.450 -1.153 13.983 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -6.025 -1.498 12.411 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -5.745 -2.151 14.013 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -5.499 0.088 14.944 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -5.586 0.807 13.348 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -7.505 -0.762 15.844 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -9.046 -0.246 15.151 1.00 0.00 H new ATOM 243 N PHE A 15 -3.483 -2.955 11.293 1.00 0.00 N ATOM 244 CA PHE A 15 -3.068 -4.223 10.716 1.00 0.00 C ATOM 245 C PHE A 15 -1.590 -4.435 11.025 1.00 0.00 C ATOM 246 O PHE A 15 -1.179 -5.526 11.434 1.00 0.00 O ATOM 247 CB PHE A 15 -3.314 -4.225 9.199 1.00 0.00 C ATOM 248 CG PHE A 15 -3.148 -5.568 8.548 1.00 0.00 C ATOM 249 CD1 PHE A 15 -4.214 -6.447 8.484 1.00 0.00 C ATOM 250 CD2 PHE A 15 -1.935 -5.954 8.002 1.00 0.00 C ATOM 251 CE1 PHE A 15 -4.077 -7.679 7.892 1.00 0.00 C ATOM 252 CE2 PHE A 15 -1.793 -7.188 7.409 1.00 0.00 C ATOM 253 CZ PHE A 15 -2.867 -8.053 7.355 1.00 0.00 C ATOM 0 H PHE A 15 -3.698 -2.233 10.605 1.00 0.00 H new ATOM 0 HA PHE A 15 -3.651 -5.037 11.147 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -4.324 -3.863 9.006 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -2.628 -3.520 8.730 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -5.167 -6.161 8.905 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -1.092 -5.280 8.042 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -4.919 -8.354 7.848 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -0.843 -7.479 6.987 1.00 0.00 H new ATOM 0 HZ PHE A 15 -2.758 -9.022 6.892 1.00 0.00 H new ATOM 263 N LYS A 16 -0.821 -3.350 10.868 1.00 0.00 N ATOM 264 CA LYS A 16 0.618 -3.285 11.174 1.00 0.00 C ATOM 265 C LYS A 16 1.456 -4.019 10.125 1.00 0.00 C ATOM 266 O LYS A 16 0.934 -4.497 9.105 1.00 0.00 O ATOM 267 CB LYS A 16 0.927 -3.798 12.600 1.00 0.00 C ATOM 268 CG LYS A 16 0.161 -3.063 13.703 1.00 0.00 C ATOM 269 CD LYS A 16 0.411 -3.661 15.086 1.00 0.00 C ATOM 270 CE LYS A 16 0.030 -5.143 15.155 1.00 0.00 C ATOM 271 NZ LYS A 16 -1.385 -5.396 14.802 1.00 0.00 N ATOM 0 H LYS A 16 -1.191 -2.467 10.515 1.00 0.00 H new ATOM 0 HA LYS A 16 0.901 -2.233 11.139 1.00 0.00 H new ATOM 0 HB2 LYS A 16 0.690 -4.861 12.653 1.00 0.00 H new ATOM 0 HB3 LYS A 16 1.996 -3.700 12.787 1.00 0.00 H new ATOM 0 HG2 LYS A 16 0.453 -2.013 13.706 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -0.906 -3.096 13.484 1.00 0.00 H new ATOM 0 HD2 LYS A 16 1.464 -3.546 15.344 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -0.162 -3.106 15.829 1.00 0.00 H new ATOM 0 HE2 LYS A 16 0.673 -5.709 14.481 1.00 0.00 H new ATOM 0 HE3 LYS A 16 0.219 -5.514 16.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -1.834 -5.960 15.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -1.886 -4.490 14.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -1.431 -5.916 13.903 1.00 0.00 H new ATOM 285 N GLY A 17 2.750 -4.115 10.374 1.00 0.00 N ATOM 286 CA GLY A 17 3.667 -4.708 9.426 1.00 0.00 C ATOM 287 C GLY A 17 3.659 -6.225 9.422 1.00 0.00 C ATOM 288 O GLY A 17 4.682 -6.859 9.667 1.00 0.00 O ATOM 0 H GLY A 17 3.189 -3.786 11.234 1.00 0.00 H new ATOM 0 HA2 GLY A 17 3.420 -4.351 8.426 1.00 0.00 H new ATOM 0 HA3 GLY A 17 4.676 -4.361 9.648 1.00 0.00 H new ATOM 292 N LYS A 18 2.507 -6.801 9.150 1.00 0.00 N ATOM 293 CA LYS A 18 2.378 -8.251 9.003 1.00 0.00 C ATOM 294 C LYS A 18 2.776 -8.651 7.598 1.00 0.00 C ATOM 295 O LYS A 18 2.970 -9.829 7.288 1.00 0.00 O ATOM 296 CB LYS A 18 0.949 -8.707 9.258 1.00 0.00 C ATOM 297 CG LYS A 18 0.510 -8.578 10.694 1.00 0.00 C ATOM 298 CD LYS A 18 -0.969 -8.927 10.868 1.00 0.00 C ATOM 299 CE LYS A 18 -1.269 -10.378 10.485 1.00 0.00 C ATOM 300 NZ LYS A 18 -2.701 -10.720 10.647 1.00 0.00 N ATOM 0 H LYS A 18 1.634 -6.289 9.024 1.00 0.00 H new ATOM 0 HA LYS A 18 3.031 -8.725 9.736 1.00 0.00 H new ATOM 0 HB2 LYS A 18 0.275 -8.125 8.629 1.00 0.00 H new ATOM 0 HB3 LYS A 18 0.851 -9.748 8.951 1.00 0.00 H new ATOM 0 HG2 LYS A 18 1.115 -9.235 11.320 1.00 0.00 H new ATOM 0 HG3 LYS A 18 0.686 -7.559 11.038 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -1.261 -8.759 11.905 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -1.573 -8.259 10.254 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -0.973 -10.546 9.450 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -0.667 -11.046 11.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -2.854 -11.712 10.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -2.980 -10.586 11.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -3.276 -10.102 10.040 1.00 0.00 H new ATOM 314 N VAL A 19 2.871 -7.657 6.767 1.00 0.00 N ATOM 315 CA VAL A 19 3.213 -7.804 5.371 1.00 0.00 C ATOM 316 C VAL A 19 4.719 -7.696 5.218 1.00 0.00 C ATOM 317 O VAL A 19 5.408 -7.221 6.147 1.00 0.00 O ATOM 318 CB VAL A 19 2.547 -6.675 4.551 1.00 0.00 C ATOM 319 CG1 VAL A 19 1.050 -6.701 4.738 1.00 0.00 C ATOM 320 CG2 VAL A 19 3.093 -5.313 4.957 1.00 0.00 C ATOM 0 H VAL A 19 2.709 -6.689 7.043 1.00 0.00 H new ATOM 0 HA VAL A 19 2.865 -8.772 5.012 1.00 0.00 H new ATOM 0 HB VAL A 19 2.779 -6.843 3.499 1.00 0.00 H new ATOM 0 HG11 VAL A 19 0.596 -5.900 4.154 1.00 0.00 H new ATOM 0 HG12 VAL A 19 0.658 -7.661 4.403 1.00 0.00 H new ATOM 0 HG13 VAL A 19 0.813 -6.561 5.793 1.00 0.00 H new ATOM 0 HG21 VAL A 19 2.609 -4.536 4.366 1.00 0.00 H new ATOM 0 HG22 VAL A 19 2.893 -5.142 6.015 1.00 0.00 H new ATOM 0 HG23 VAL A 19 4.168 -5.285 4.782 1.00 0.00 H new ATOM 330 N ASN A 20 5.244 -8.112 4.097 1.00 0.00 N ATOM 331 CA ASN A 20 6.665 -7.970 3.884 1.00 0.00 C ATOM 332 C ASN A 20 6.913 -6.617 3.286 1.00 0.00 C ATOM 333 O ASN A 20 6.474 -6.352 2.172 1.00 0.00 O ATOM 334 CB ASN A 20 7.220 -9.014 2.934 1.00 0.00 C ATOM 335 CG ASN A 20 8.726 -9.023 2.928 1.00 0.00 C ATOM 336 OD1 ASN A 20 9.343 -8.285 2.188 1.00 0.00 O ATOM 337 ND2 ASN A 20 9.322 -9.857 3.727 1.00 0.00 N ATOM 0 H ASN A 20 4.726 -8.543 3.331 1.00 0.00 H new ATOM 0 HA ASN A 20 7.162 -8.097 4.846 1.00 0.00 H new ATOM 0 HB2 ASN A 20 6.852 -9.999 3.222 1.00 0.00 H new ATOM 0 HB3 ASN A 20 6.854 -8.819 1.926 1.00 0.00 H new ATOM 0 HD21 ASN A 20 10.341 -9.906 3.746 1.00 0.00 H new ATOM 0 HD22 ASN A 20 8.771 -10.463 4.335 1.00 0.00 H new ATOM 344 N PHE A 21 7.625 -5.765 4.014 1.00 0.00 N ATOM 345 CA PHE A 21 7.927 -4.399 3.571 1.00 0.00 C ATOM 346 C PHE A 21 8.530 -4.382 2.177 1.00 0.00 C ATOM 347 O PHE A 21 8.182 -3.542 1.348 1.00 0.00 O ATOM 348 CB PHE A 21 8.903 -3.706 4.549 1.00 0.00 C ATOM 349 CG PHE A 21 9.309 -2.309 4.107 1.00 0.00 C ATOM 350 CD1 PHE A 21 10.413 -2.114 3.282 1.00 0.00 C ATOM 351 CD2 PHE A 21 8.577 -1.212 4.489 1.00 0.00 C ATOM 352 CE1 PHE A 21 10.760 -0.860 2.854 1.00 0.00 C ATOM 353 CE2 PHE A 21 8.925 0.050 4.065 1.00 0.00 C ATOM 354 CZ PHE A 21 10.018 0.227 3.244 1.00 0.00 C ATOM 0 H PHE A 21 8.012 -5.997 4.929 1.00 0.00 H new ATOM 0 HA PHE A 21 6.981 -3.857 3.552 1.00 0.00 H new ATOM 0 HB2 PHE A 21 8.439 -3.647 5.533 1.00 0.00 H new ATOM 0 HB3 PHE A 21 9.797 -4.320 4.655 1.00 0.00 H new ATOM 0 HD1 PHE A 21 11.005 -2.964 2.975 1.00 0.00 H new ATOM 0 HD2 PHE A 21 7.718 -1.341 5.130 1.00 0.00 H new ATOM 0 HE1 PHE A 21 11.617 -0.727 2.210 1.00 0.00 H new ATOM 0 HE2 PHE A 21 8.341 0.903 4.376 1.00 0.00 H new ATOM 0 HZ PHE A 21 10.290 1.217 2.909 1.00 0.00 H new ATOM 364 N ASN A 22 9.368 -5.351 1.908 1.00 0.00 N ATOM 365 CA ASN A 22 10.143 -5.367 0.680 1.00 0.00 C ATOM 366 C ASN A 22 9.250 -5.696 -0.464 1.00 0.00 C ATOM 367 O ASN A 22 9.377 -5.135 -1.553 1.00 0.00 O ATOM 368 CB ASN A 22 11.283 -6.381 0.767 1.00 0.00 C ATOM 369 CG ASN A 22 12.234 -6.098 1.907 1.00 0.00 C ATOM 370 OD1 ASN A 22 12.484 -4.941 2.262 1.00 0.00 O ATOM 371 ND2 ASN A 22 12.717 -7.130 2.523 1.00 0.00 N ATOM 0 H ASN A 22 9.536 -6.147 2.523 1.00 0.00 H new ATOM 0 HA ASN A 22 10.581 -4.380 0.529 1.00 0.00 H new ATOM 0 HB2 ASN A 22 10.865 -7.381 0.888 1.00 0.00 H new ATOM 0 HB3 ASN A 22 11.837 -6.379 -0.171 1.00 0.00 H new ATOM 0 HD21 ASN A 22 13.326 -7.003 3.331 1.00 0.00 H new ATOM 0 HD22 ASN A 22 12.488 -8.070 2.200 1.00 0.00 H new ATOM 378 N LEU A 23 8.300 -6.562 -0.206 1.00 0.00 N ATOM 379 CA LEU A 23 7.392 -6.949 -1.220 1.00 0.00 C ATOM 380 C LEU A 23 6.366 -5.855 -1.442 1.00 0.00 C ATOM 381 O LEU A 23 6.036 -5.573 -2.567 1.00 0.00 O ATOM 382 CB LEU A 23 6.761 -8.313 -0.937 1.00 0.00 C ATOM 383 CG LEU A 23 5.847 -8.876 -2.035 1.00 0.00 C ATOM 384 CD1 LEU A 23 6.548 -8.876 -3.377 1.00 0.00 C ATOM 385 CD2 LEU A 23 5.457 -10.283 -1.698 1.00 0.00 C ATOM 0 H LEU A 23 8.148 -7.003 0.701 1.00 0.00 H new ATOM 0 HA LEU A 23 7.944 -7.076 -2.151 1.00 0.00 H new ATOM 0 HB2 LEU A 23 7.562 -9.030 -0.756 1.00 0.00 H new ATOM 0 HB3 LEU A 23 6.184 -8.239 -0.015 1.00 0.00 H new ATOM 0 HG LEU A 23 4.963 -8.242 -2.094 1.00 0.00 H new ATOM 0 HD11 LEU A 23 5.879 -9.280 -4.137 1.00 0.00 H new ATOM 0 HD12 LEU A 23 6.826 -7.856 -3.643 1.00 0.00 H new ATOM 0 HD13 LEU A 23 7.445 -9.493 -3.319 1.00 0.00 H new ATOM 0 HD21 LEU A 23 4.809 -10.678 -2.480 1.00 0.00 H new ATOM 0 HD22 LEU A 23 6.352 -10.900 -1.622 1.00 0.00 H new ATOM 0 HD23 LEU A 23 4.926 -10.295 -0.746 1.00 0.00 H new ATOM 397 N VAL A 24 5.904 -5.208 -0.361 1.00 0.00 N ATOM 398 CA VAL A 24 4.991 -4.054 -0.474 1.00 0.00 C ATOM 399 C VAL A 24 5.644 -2.973 -1.312 1.00 0.00 C ATOM 400 O VAL A 24 5.035 -2.434 -2.231 1.00 0.00 O ATOM 401 CB VAL A 24 4.627 -3.448 0.909 1.00 0.00 C ATOM 402 CG1 VAL A 24 3.696 -2.248 0.765 1.00 0.00 C ATOM 403 CG2 VAL A 24 3.983 -4.477 1.777 1.00 0.00 C ATOM 0 H VAL A 24 6.144 -5.460 0.598 1.00 0.00 H new ATOM 0 HA VAL A 24 4.074 -4.416 -0.940 1.00 0.00 H new ATOM 0 HB VAL A 24 5.554 -3.111 1.372 1.00 0.00 H new ATOM 0 HG11 VAL A 24 3.462 -1.849 1.752 1.00 0.00 H new ATOM 0 HG12 VAL A 24 4.185 -1.478 0.169 1.00 0.00 H new ATOM 0 HG13 VAL A 24 2.775 -2.559 0.271 1.00 0.00 H new ATOM 0 HG21 VAL A 24 3.735 -4.035 2.742 1.00 0.00 H new ATOM 0 HG22 VAL A 24 3.073 -4.839 1.298 1.00 0.00 H new ATOM 0 HG23 VAL A 24 4.670 -5.310 1.925 1.00 0.00 H new ATOM 413 N MET A 25 6.901 -2.693 -1.005 1.00 0.00 N ATOM 414 CA MET A 25 7.686 -1.710 -1.729 1.00 0.00 C ATOM 415 C MET A 25 7.758 -2.084 -3.210 1.00 0.00 C ATOM 416 O MET A 25 7.619 -1.225 -4.074 1.00 0.00 O ATOM 417 CB MET A 25 9.080 -1.569 -1.090 1.00 0.00 C ATOM 418 CG MET A 25 10.014 -0.569 -1.756 1.00 0.00 C ATOM 419 SD MET A 25 11.598 -0.410 -0.880 1.00 0.00 S ATOM 420 CE MET A 25 12.210 -2.094 -0.952 1.00 0.00 C ATOM 0 H MET A 25 7.406 -3.144 -0.243 1.00 0.00 H new ATOM 0 HA MET A 25 7.203 -0.735 -1.665 1.00 0.00 H new ATOM 0 HB2 MET A 25 8.953 -1.281 -0.046 1.00 0.00 H new ATOM 0 HB3 MET A 25 9.562 -2.547 -1.094 1.00 0.00 H new ATOM 0 HG2 MET A 25 10.200 -0.879 -2.784 1.00 0.00 H new ATOM 0 HG3 MET A 25 9.527 0.405 -1.800 1.00 0.00 H new ATOM 0 HE1 MET A 25 13.286 -2.083 -1.127 1.00 0.00 H new ATOM 0 HE2 MET A 25 12.001 -2.598 -0.008 1.00 0.00 H new ATOM 0 HE3 MET A 25 11.716 -2.626 -1.765 1.00 0.00 H new ATOM 430 N GLN A 26 7.910 -3.374 -3.485 1.00 0.00 N ATOM 431 CA GLN A 26 7.899 -3.884 -4.850 1.00 0.00 C ATOM 432 C GLN A 26 6.496 -3.772 -5.476 1.00 0.00 C ATOM 433 O GLN A 26 6.384 -3.405 -6.624 1.00 0.00 O ATOM 434 CB GLN A 26 8.429 -5.334 -4.919 1.00 0.00 C ATOM 435 CG GLN A 26 8.268 -5.997 -6.290 1.00 0.00 C ATOM 436 CD GLN A 26 8.837 -7.402 -6.364 1.00 0.00 C ATOM 437 OE1 GLN A 26 8.905 -8.125 -5.366 1.00 0.00 O ATOM 438 NE2 GLN A 26 9.203 -7.819 -7.544 1.00 0.00 N ATOM 0 H GLN A 26 8.044 -4.092 -2.773 1.00 0.00 H new ATOM 0 HA GLN A 26 8.575 -3.262 -5.436 1.00 0.00 H new ATOM 0 HB2 GLN A 26 9.485 -5.336 -4.649 1.00 0.00 H new ATOM 0 HB3 GLN A 26 7.908 -5.935 -4.174 1.00 0.00 H new ATOM 0 HG2 GLN A 26 7.209 -6.031 -6.544 1.00 0.00 H new ATOM 0 HG3 GLN A 26 8.757 -5.377 -7.042 1.00 0.00 H new ATOM 0 HE21 GLN A 26 9.134 -7.196 -8.349 1.00 0.00 H new ATOM 0 HE22 GLN A 26 9.558 -8.768 -7.662 1.00 0.00 H new ATOM 447 N ILE A 27 5.444 -4.077 -4.702 1.00 0.00 N ATOM 448 CA ILE A 27 4.038 -3.967 -5.169 1.00 0.00 C ATOM 449 C ILE A 27 3.776 -2.540 -5.631 1.00 0.00 C ATOM 450 O ILE A 27 3.339 -2.297 -6.762 1.00 0.00 O ATOM 451 CB ILE A 27 3.005 -4.294 -4.018 1.00 0.00 C ATOM 452 CG1 ILE A 27 3.166 -5.724 -3.461 1.00 0.00 C ATOM 453 CG2 ILE A 27 1.557 -4.052 -4.461 1.00 0.00 C ATOM 454 CD1 ILE A 27 2.963 -6.834 -4.466 1.00 0.00 C ATOM 0 H ILE A 27 5.533 -4.405 -3.740 1.00 0.00 H new ATOM 0 HA ILE A 27 3.906 -4.685 -5.978 1.00 0.00 H new ATOM 0 HB ILE A 27 3.235 -3.601 -3.209 1.00 0.00 H new ATOM 0 HG12 ILE A 27 4.165 -5.820 -3.035 1.00 0.00 H new ATOM 0 HG13 ILE A 27 2.456 -5.861 -2.645 1.00 0.00 H new ATOM 0 HG21 ILE A 27 0.881 -4.289 -3.640 1.00 0.00 H new ATOM 0 HG22 ILE A 27 1.433 -3.006 -4.743 1.00 0.00 H new ATOM 0 HG23 ILE A 27 1.327 -4.688 -5.316 1.00 0.00 H new ATOM 0 HD11 ILE A 27 3.098 -7.798 -3.976 1.00 0.00 H new ATOM 0 HD12 ILE A 27 1.955 -6.773 -4.876 1.00 0.00 H new ATOM 0 HD13 ILE A 27 3.690 -6.732 -5.272 1.00 0.00 H new ATOM 466 N LEU A 28 4.107 -1.611 -4.754 1.00 0.00 N ATOM 467 CA LEU A 28 3.924 -0.193 -4.983 1.00 0.00 C ATOM 468 C LEU A 28 4.757 0.268 -6.170 1.00 0.00 C ATOM 469 O LEU A 28 4.318 1.068 -6.973 1.00 0.00 O ATOM 470 CB LEU A 28 4.328 0.573 -3.728 1.00 0.00 C ATOM 471 CG LEU A 28 3.559 0.222 -2.449 1.00 0.00 C ATOM 472 CD1 LEU A 28 4.137 0.959 -1.269 1.00 0.00 C ATOM 473 CD2 LEU A 28 2.081 0.535 -2.593 1.00 0.00 C ATOM 0 H LEU A 28 4.518 -1.827 -3.846 1.00 0.00 H new ATOM 0 HA LEU A 28 2.875 0.001 -5.208 1.00 0.00 H new ATOM 0 HB2 LEU A 28 5.389 0.402 -3.548 1.00 0.00 H new ATOM 0 HB3 LEU A 28 4.205 1.639 -3.921 1.00 0.00 H new ATOM 0 HG LEU A 28 3.662 -0.850 -2.280 1.00 0.00 H new ATOM 0 HD11 LEU A 28 3.580 0.699 -0.369 1.00 0.00 H new ATOM 0 HD12 LEU A 28 5.183 0.679 -1.142 1.00 0.00 H new ATOM 0 HD13 LEU A 28 4.067 2.033 -1.441 1.00 0.00 H new ATOM 0 HD21 LEU A 28 1.562 0.275 -1.670 1.00 0.00 H new ATOM 0 HD22 LEU A 28 1.952 1.598 -2.795 1.00 0.00 H new ATOM 0 HD23 LEU A 28 1.665 -0.044 -3.418 1.00 0.00 H new ATOM 485 N ASP A 29 5.940 -0.281 -6.282 1.00 0.00 N ATOM 486 CA ASP A 29 6.865 0.050 -7.361 1.00 0.00 C ATOM 487 C ASP A 29 6.335 -0.476 -8.684 1.00 0.00 C ATOM 488 O ASP A 29 6.301 0.234 -9.686 1.00 0.00 O ATOM 489 CB ASP A 29 8.200 -0.615 -7.076 1.00 0.00 C ATOM 490 CG ASP A 29 9.293 -0.190 -8.013 1.00 0.00 C ATOM 491 OD1 ASP A 29 9.835 0.927 -7.853 1.00 0.00 O ATOM 492 OD2 ASP A 29 9.650 -0.970 -8.914 1.00 0.00 O ATOM 0 H ASP A 29 6.300 -0.976 -5.628 1.00 0.00 H new ATOM 0 HA ASP A 29 6.976 1.133 -7.421 1.00 0.00 H new ATOM 0 HB2 ASP A 29 8.500 -0.386 -6.053 1.00 0.00 H new ATOM 0 HB3 ASP A 29 8.079 -1.696 -7.138 1.00 0.00 H new ATOM 497 N GLU A 30 5.895 -1.715 -8.646 1.00 0.00 N ATOM 498 CA GLU A 30 5.404 -2.443 -9.808 1.00 0.00 C ATOM 499 C GLU A 30 4.170 -1.740 -10.390 1.00 0.00 C ATOM 500 O GLU A 30 4.060 -1.561 -11.614 1.00 0.00 O ATOM 501 CB GLU A 30 5.094 -3.899 -9.398 1.00 0.00 C ATOM 502 CG GLU A 30 5.207 -4.925 -10.513 1.00 0.00 C ATOM 503 CD GLU A 30 5.088 -6.353 -9.996 1.00 0.00 C ATOM 504 OE1 GLU A 30 6.095 -6.913 -9.500 1.00 0.00 O ATOM 505 OE2 GLU A 30 4.009 -6.947 -10.080 1.00 0.00 O ATOM 0 H GLU A 30 5.866 -2.263 -7.786 1.00 0.00 H new ATOM 0 HA GLU A 30 6.165 -2.460 -10.588 1.00 0.00 H new ATOM 0 HB2 GLU A 30 5.772 -4.185 -8.593 1.00 0.00 H new ATOM 0 HB3 GLU A 30 4.083 -3.938 -8.992 1.00 0.00 H new ATOM 0 HG2 GLU A 30 4.428 -4.742 -11.253 1.00 0.00 H new ATOM 0 HG3 GLU A 30 6.164 -4.803 -11.021 1.00 0.00 H new ATOM 512 N ILE A 31 3.261 -1.305 -9.517 1.00 0.00 N ATOM 513 CA ILE A 31 2.092 -0.572 -9.983 1.00 0.00 C ATOM 514 C ILE A 31 2.487 0.825 -10.455 1.00 0.00 C ATOM 515 O ILE A 31 1.992 1.295 -11.460 1.00 0.00 O ATOM 516 CB ILE A 31 0.934 -0.467 -8.934 1.00 0.00 C ATOM 517 CG1 ILE A 31 1.380 0.280 -7.673 1.00 0.00 C ATOM 518 CG2 ILE A 31 0.404 -1.841 -8.579 1.00 0.00 C ATOM 519 CD1 ILE A 31 0.291 0.490 -6.656 1.00 0.00 C ATOM 0 H ILE A 31 3.311 -1.444 -8.508 1.00 0.00 H new ATOM 0 HA ILE A 31 1.699 -1.157 -10.814 1.00 0.00 H new ATOM 0 HB ILE A 31 0.129 0.108 -9.392 1.00 0.00 H new ATOM 0 HG12 ILE A 31 2.194 -0.274 -7.206 1.00 0.00 H new ATOM 0 HG13 ILE A 31 1.781 1.251 -7.964 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -0.400 -1.744 -7.849 1.00 0.00 H new ATOM 0 HG22 ILE A 31 0.022 -2.327 -9.477 1.00 0.00 H new ATOM 0 HG23 ILE A 31 1.208 -2.443 -8.155 1.00 0.00 H new ATOM 0 HD11 ILE A 31 0.694 1.026 -5.797 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -0.515 1.073 -7.101 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -0.096 -0.476 -6.332 1.00 0.00 H new ATOM 531 N GLU A 32 3.421 1.454 -9.739 1.00 0.00 N ATOM 532 CA GLU A 32 3.892 2.798 -10.051 1.00 0.00 C ATOM 533 C GLU A 32 4.478 2.868 -11.451 1.00 0.00 C ATOM 534 O GLU A 32 4.055 3.692 -12.259 1.00 0.00 O ATOM 535 CB GLU A 32 4.922 3.257 -9.011 1.00 0.00 C ATOM 536 CG GLU A 32 5.504 4.633 -9.255 1.00 0.00 C ATOM 537 CD GLU A 32 6.482 5.045 -8.189 1.00 0.00 C ATOM 538 OE1 GLU A 32 6.065 5.553 -7.145 1.00 0.00 O ATOM 539 OE2 GLU A 32 7.704 4.882 -8.390 1.00 0.00 O ATOM 0 H GLU A 32 3.872 1.040 -8.923 1.00 0.00 H new ATOM 0 HA GLU A 32 3.035 3.471 -10.017 1.00 0.00 H new ATOM 0 HB2 GLU A 32 4.453 3.246 -8.027 1.00 0.00 H new ATOM 0 HB3 GLU A 32 5.737 2.533 -8.984 1.00 0.00 H new ATOM 0 HG2 GLU A 32 6.002 4.646 -10.224 1.00 0.00 H new ATOM 0 HG3 GLU A 32 4.695 5.362 -9.302 1.00 0.00 H new ATOM 546 N LEU A 33 5.422 1.981 -11.745 1.00 0.00 N ATOM 547 CA LEU A 33 6.087 1.961 -13.045 1.00 0.00 C ATOM 548 C LEU A 33 5.085 1.775 -14.185 1.00 0.00 C ATOM 549 O LEU A 33 5.202 2.407 -15.240 1.00 0.00 O ATOM 550 CB LEU A 33 7.246 0.918 -13.077 1.00 0.00 C ATOM 551 CG LEU A 33 6.908 -0.582 -12.862 1.00 0.00 C ATOM 552 CD1 LEU A 33 6.405 -1.257 -14.134 1.00 0.00 C ATOM 553 CD2 LEU A 33 8.102 -1.324 -12.302 1.00 0.00 C ATOM 0 H LEU A 33 5.746 1.262 -11.098 1.00 0.00 H new ATOM 0 HA LEU A 33 6.548 2.936 -13.201 1.00 0.00 H new ATOM 0 HB2 LEU A 33 7.745 1.009 -14.042 1.00 0.00 H new ATOM 0 HB3 LEU A 33 7.970 1.206 -12.315 1.00 0.00 H new ATOM 0 HG LEU A 33 6.094 -0.622 -12.138 1.00 0.00 H new ATOM 0 HD11 LEU A 33 6.184 -2.304 -13.927 1.00 0.00 H new ATOM 0 HD12 LEU A 33 5.500 -0.756 -14.478 1.00 0.00 H new ATOM 0 HD13 LEU A 33 7.171 -1.194 -14.907 1.00 0.00 H new ATOM 0 HD21 LEU A 33 7.844 -2.373 -12.159 1.00 0.00 H new ATOM 0 HD22 LEU A 33 8.937 -1.247 -12.998 1.00 0.00 H new ATOM 0 HD23 LEU A 33 8.386 -0.886 -11.345 1.00 0.00 H new ATOM 565 N ASP A 34 4.070 0.956 -13.944 1.00 0.00 N ATOM 566 CA ASP A 34 3.045 0.708 -14.947 1.00 0.00 C ATOM 567 C ASP A 34 2.126 1.917 -15.075 1.00 0.00 C ATOM 568 O ASP A 34 1.869 2.409 -16.173 1.00 0.00 O ATOM 569 CB ASP A 34 2.228 -0.544 -14.608 1.00 0.00 C ATOM 570 CG ASP A 34 1.212 -0.876 -15.681 1.00 0.00 C ATOM 571 OD1 ASP A 34 1.599 -1.464 -16.715 1.00 0.00 O ATOM 572 OD2 ASP A 34 0.022 -0.547 -15.529 1.00 0.00 O ATOM 0 H ASP A 34 3.935 0.454 -13.066 1.00 0.00 H new ATOM 0 HA ASP A 34 3.544 0.538 -15.901 1.00 0.00 H new ATOM 0 HB2 ASP A 34 2.902 -1.390 -14.475 1.00 0.00 H new ATOM 0 HB3 ASP A 34 1.714 -0.394 -13.658 1.00 0.00 H new ATOM 577 N LEU A 35 1.712 2.431 -13.938 1.00 0.00 N ATOM 578 CA LEU A 35 0.786 3.551 -13.849 1.00 0.00 C ATOM 579 C LEU A 35 1.385 4.849 -14.386 1.00 0.00 C ATOM 580 O LEU A 35 0.669 5.754 -14.772 1.00 0.00 O ATOM 581 CB LEU A 35 0.312 3.737 -12.411 1.00 0.00 C ATOM 582 CG LEU A 35 -0.700 4.849 -12.165 1.00 0.00 C ATOM 583 CD1 LEU A 35 -1.969 4.619 -12.971 1.00 0.00 C ATOM 584 CD2 LEU A 35 -1.010 4.943 -10.698 1.00 0.00 C ATOM 0 H LEU A 35 2.012 2.079 -13.029 1.00 0.00 H new ATOM 0 HA LEU A 35 -0.069 3.310 -14.480 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -0.125 2.798 -12.072 1.00 0.00 H new ATOM 0 HB3 LEU A 35 1.185 3.926 -11.786 1.00 0.00 H new ATOM 0 HG LEU A 35 -0.266 5.793 -12.494 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -2.675 5.427 -12.777 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -1.726 4.596 -14.033 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -2.417 3.669 -12.681 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -1.734 5.740 -10.529 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -1.425 3.996 -10.353 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -0.096 5.161 -10.146 1.00 0.00 H new ATOM 596 N ARG A 36 2.688 4.958 -14.405 1.00 0.00 N ATOM 597 CA ARG A 36 3.311 6.147 -14.963 1.00 0.00 C ATOM 598 C ARG A 36 3.137 6.237 -16.483 1.00 0.00 C ATOM 599 O ARG A 36 3.472 7.245 -17.098 1.00 0.00 O ATOM 600 CB ARG A 36 4.766 6.286 -14.551 1.00 0.00 C ATOM 601 CG ARG A 36 4.944 6.548 -13.068 1.00 0.00 C ATOM 602 CD ARG A 36 6.391 6.793 -12.722 1.00 0.00 C ATOM 603 NE ARG A 36 6.908 8.031 -13.334 1.00 0.00 N ATOM 604 CZ ARG A 36 8.134 8.547 -13.128 1.00 0.00 C ATOM 605 NH1 ARG A 36 9.011 7.908 -12.368 1.00 0.00 N ATOM 606 NH2 ARG A 36 8.479 9.696 -13.699 1.00 0.00 N ATOM 0 H ARG A 36 3.336 4.255 -14.049 1.00 0.00 H new ATOM 0 HA ARG A 36 2.781 6.997 -14.534 1.00 0.00 H new ATOM 0 HB2 ARG A 36 5.302 5.375 -14.819 1.00 0.00 H new ATOM 0 HB3 ARG A 36 5.220 7.101 -15.115 1.00 0.00 H new ATOM 0 HG2 ARG A 36 4.347 7.412 -12.775 1.00 0.00 H new ATOM 0 HG3 ARG A 36 4.572 5.696 -12.499 1.00 0.00 H new ATOM 0 HD2 ARG A 36 6.499 6.853 -11.639 1.00 0.00 H new ATOM 0 HD3 ARG A 36 6.991 5.947 -13.056 1.00 0.00 H new ATOM 0 HE ARG A 36 6.286 8.537 -13.964 1.00 0.00 H new ATOM 0 HH11 ARG A 36 8.759 7.020 -11.935 1.00 0.00 H new ATOM 0 HH12 ARG A 36 9.938 8.304 -12.216 1.00 0.00 H new ATOM 0 HH21 ARG A 36 7.814 10.189 -14.295 1.00 0.00 H new ATOM 0 HH22 ARG A 36 9.409 10.085 -13.541 1.00 0.00 H new ATOM 620 N GLY A 37 2.610 5.184 -17.070 1.00 0.00 N ATOM 621 CA GLY A 37 2.297 5.187 -18.478 1.00 0.00 C ATOM 622 C GLY A 37 0.850 4.780 -18.732 1.00 0.00 C ATOM 623 O GLY A 37 0.498 4.349 -19.834 1.00 0.00 O ATOM 0 H GLY A 37 2.389 4.312 -16.589 1.00 0.00 H new ATOM 0 HA2 GLY A 37 2.473 6.181 -18.888 1.00 0.00 H new ATOM 0 HA3 GLY A 37 2.965 4.503 -19.001 1.00 0.00 H new ATOM 627 N SER A 38 0.000 4.951 -17.734 1.00 0.00 N ATOM 628 CA SER A 38 -1.377 4.513 -17.816 1.00 0.00 C ATOM 629 C SER A 38 -2.211 5.290 -16.789 1.00 0.00 C ATOM 630 O SER A 38 -1.676 6.097 -16.053 1.00 0.00 O ATOM 631 CB SER A 38 -1.418 2.995 -17.519 1.00 0.00 C ATOM 632 OG SER A 38 -2.721 2.433 -17.642 1.00 0.00 O ATOM 0 H SER A 38 0.246 5.395 -16.850 1.00 0.00 H new ATOM 0 HA SER A 38 -1.789 4.699 -18.808 1.00 0.00 H new ATOM 0 HB2 SER A 38 -0.742 2.480 -18.201 1.00 0.00 H new ATOM 0 HB3 SER A 38 -1.048 2.819 -16.509 1.00 0.00 H new ATOM 0 HG SER A 38 -2.684 1.474 -17.445 1.00 0.00 H new ATOM 638 N ASP A 39 -3.508 5.092 -16.790 1.00 0.00 N ATOM 639 CA ASP A 39 -4.378 5.671 -15.754 1.00 0.00 C ATOM 640 C ASP A 39 -5.123 4.548 -15.052 1.00 0.00 C ATOM 641 O ASP A 39 -5.695 4.720 -13.964 1.00 0.00 O ATOM 642 CB ASP A 39 -5.373 6.704 -16.338 1.00 0.00 C ATOM 643 CG ASP A 39 -6.287 7.334 -15.274 1.00 0.00 C ATOM 644 OD1 ASP A 39 -5.823 8.210 -14.493 1.00 0.00 O ATOM 645 OD2 ASP A 39 -7.481 6.954 -15.184 1.00 0.00 O ATOM 0 H ASP A 39 -3.999 4.536 -17.490 1.00 0.00 H new ATOM 0 HA ASP A 39 -3.753 6.208 -15.040 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -4.814 7.493 -16.841 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -5.989 6.218 -17.095 1.00 0.00 H new ATOM 650 N ASN A 40 -5.045 3.363 -15.639 1.00 0.00 N ATOM 651 CA ASN A 40 -5.730 2.186 -15.130 1.00 0.00 C ATOM 652 C ASN A 40 -4.938 1.565 -14.007 1.00 0.00 C ATOM 653 O ASN A 40 -4.391 0.466 -14.142 1.00 0.00 O ATOM 654 CB ASN A 40 -5.969 1.127 -16.229 1.00 0.00 C ATOM 655 CG ASN A 40 -7.017 1.485 -17.269 1.00 0.00 C ATOM 656 OD1 ASN A 40 -7.256 2.651 -17.579 1.00 0.00 O ATOM 657 ND2 ASN A 40 -7.642 0.481 -17.825 1.00 0.00 N ATOM 0 H ASN A 40 -4.502 3.191 -16.485 1.00 0.00 H new ATOM 0 HA ASN A 40 -6.702 2.518 -14.764 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -5.025 0.941 -16.740 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -6.262 0.193 -15.750 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -8.351 0.653 -18.538 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -7.421 -0.475 -17.546 1.00 0.00 H new ATOM 664 N ILE A 41 -4.852 2.277 -12.906 1.00 0.00 N ATOM 665 CA ILE A 41 -4.121 1.817 -11.745 1.00 0.00 C ATOM 666 C ILE A 41 -4.712 0.526 -11.196 1.00 0.00 C ATOM 667 O ILE A 41 -3.990 -0.320 -10.692 1.00 0.00 O ATOM 668 CB ILE A 41 -4.022 2.897 -10.626 1.00 0.00 C ATOM 669 CG1 ILE A 41 -3.302 2.319 -9.377 1.00 0.00 C ATOM 670 CG2 ILE A 41 -5.392 3.480 -10.296 1.00 0.00 C ATOM 671 CD1 ILE A 41 -3.102 3.283 -8.237 1.00 0.00 C ATOM 0 H ILE A 41 -5.287 3.192 -12.789 1.00 0.00 H new ATOM 0 HA ILE A 41 -3.104 1.617 -12.084 1.00 0.00 H new ATOM 0 HB ILE A 41 -3.417 3.726 -10.993 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -3.874 1.466 -9.012 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -2.327 1.940 -9.684 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -5.289 4.230 -9.512 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -5.815 3.943 -11.188 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -6.053 2.684 -9.952 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -2.591 2.777 -7.418 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -2.499 4.126 -8.575 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -4.071 3.645 -7.892 1.00 0.00 H new ATOM 683 N LYS A 42 -6.017 0.344 -11.347 1.00 0.00 N ATOM 684 CA LYS A 42 -6.628 -0.871 -10.853 1.00 0.00 C ATOM 685 C LYS A 42 -6.158 -2.068 -11.665 1.00 0.00 C ATOM 686 O LYS A 42 -5.992 -3.149 -11.137 1.00 0.00 O ATOM 687 CB LYS A 42 -8.153 -0.821 -10.827 1.00 0.00 C ATOM 688 CG LYS A 42 -8.831 -0.764 -12.188 1.00 0.00 C ATOM 689 CD LYS A 42 -10.327 -1.015 -12.070 1.00 0.00 C ATOM 690 CE LYS A 42 -10.615 -2.405 -11.488 1.00 0.00 C ATOM 691 NZ LYS A 42 -12.054 -2.705 -11.448 1.00 0.00 N ATOM 0 H LYS A 42 -6.653 1.004 -11.795 1.00 0.00 H new ATOM 0 HA LYS A 42 -6.305 -0.974 -9.817 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -8.519 -1.699 -10.295 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -8.461 0.052 -10.251 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -8.658 0.212 -12.642 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -8.386 -1.507 -12.850 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -10.777 -0.252 -11.435 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -10.791 -0.926 -13.052 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -10.105 -3.160 -12.086 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -10.205 -2.467 -10.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -12.200 -3.654 -11.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -12.539 -2.001 -10.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -12.442 -2.673 -12.412 1.00 0.00 H new ATOM 705 N THR A 43 -5.923 -1.852 -12.940 1.00 0.00 N ATOM 706 CA THR A 43 -5.449 -2.891 -13.799 1.00 0.00 C ATOM 707 C THR A 43 -3.981 -3.179 -13.473 1.00 0.00 C ATOM 708 O THR A 43 -3.540 -4.330 -13.526 1.00 0.00 O ATOM 709 CB THR A 43 -5.623 -2.481 -15.262 1.00 0.00 C ATOM 710 OG1 THR A 43 -6.923 -1.863 -15.400 1.00 0.00 O ATOM 711 CG2 THR A 43 -5.567 -3.708 -16.163 1.00 0.00 C ATOM 0 H THR A 43 -6.057 -0.952 -13.400 1.00 0.00 H new ATOM 0 HA THR A 43 -6.028 -3.801 -13.638 1.00 0.00 H new ATOM 0 HB THR A 43 -4.827 -1.794 -15.549 1.00 0.00 H new ATOM 0 HG1 THR A 43 -7.272 -2.033 -16.300 1.00 0.00 H new ATOM 0 HG21 THR A 43 -5.692 -3.403 -17.202 1.00 0.00 H new ATOM 0 HG22 THR A 43 -4.603 -4.203 -16.044 1.00 0.00 H new ATOM 0 HG23 THR A 43 -6.365 -4.397 -15.889 1.00 0.00 H new ATOM 719 N SER A 44 -3.244 -2.130 -13.085 1.00 0.00 N ATOM 720 CA SER A 44 -1.882 -2.282 -12.620 1.00 0.00 C ATOM 721 C SER A 44 -1.908 -3.152 -11.359 1.00 0.00 C ATOM 722 O SER A 44 -1.139 -4.103 -11.233 1.00 0.00 O ATOM 723 CB SER A 44 -1.278 -0.907 -12.323 1.00 0.00 C ATOM 724 OG SER A 44 -1.478 -0.031 -13.425 1.00 0.00 O ATOM 0 H SER A 44 -3.581 -1.167 -13.089 1.00 0.00 H new ATOM 0 HA SER A 44 -1.265 -2.759 -13.382 1.00 0.00 H new ATOM 0 HB2 SER A 44 -1.736 -0.487 -11.428 1.00 0.00 H new ATOM 0 HB3 SER A 44 -0.212 -1.007 -12.118 1.00 0.00 H new ATOM 0 HG SER A 44 -0.969 -0.355 -14.197 1.00 0.00 H new ATOM 730 N ILE A 45 -2.860 -2.837 -10.464 1.00 0.00 N ATOM 731 CA ILE A 45 -3.128 -3.618 -9.256 1.00 0.00 C ATOM 732 C ILE A 45 -3.347 -5.085 -9.635 1.00 0.00 C ATOM 733 O ILE A 45 -2.728 -5.975 -9.064 1.00 0.00 O ATOM 734 CB ILE A 45 -4.399 -3.069 -8.494 1.00 0.00 C ATOM 735 CG1 ILE A 45 -4.151 -1.675 -7.877 1.00 0.00 C ATOM 736 CG2 ILE A 45 -4.924 -4.040 -7.441 1.00 0.00 C ATOM 737 CD1 ILE A 45 -3.116 -1.647 -6.769 1.00 0.00 C ATOM 0 H ILE A 45 -3.468 -2.024 -10.565 1.00 0.00 H new ATOM 0 HA ILE A 45 -2.268 -3.531 -8.591 1.00 0.00 H new ATOM 0 HB ILE A 45 -5.175 -2.967 -9.253 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -3.836 -0.994 -8.667 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -5.094 -1.293 -7.485 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -5.797 -3.608 -6.951 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -5.203 -4.979 -7.919 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -4.147 -4.227 -6.699 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -3.009 -0.628 -6.397 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -3.436 -2.299 -5.956 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -2.158 -1.994 -7.157 1.00 0.00 H new ATOM 749 N ILE A 46 -4.194 -5.309 -10.639 1.00 0.00 N ATOM 750 CA ILE A 46 -4.506 -6.648 -11.121 1.00 0.00 C ATOM 751 C ILE A 46 -3.239 -7.418 -11.520 1.00 0.00 C ATOM 752 O ILE A 46 -3.037 -8.532 -11.050 1.00 0.00 O ATOM 753 CB ILE A 46 -5.534 -6.640 -12.307 1.00 0.00 C ATOM 754 CG1 ILE A 46 -6.869 -6.021 -11.854 1.00 0.00 C ATOM 755 CG2 ILE A 46 -5.762 -8.058 -12.844 1.00 0.00 C ATOM 756 CD1 ILE A 46 -7.925 -5.927 -12.945 1.00 0.00 C ATOM 0 H ILE A 46 -4.682 -4.566 -11.139 1.00 0.00 H new ATOM 0 HA ILE A 46 -4.976 -7.165 -10.284 1.00 0.00 H new ATOM 0 HB ILE A 46 -5.119 -6.033 -13.112 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -7.268 -6.613 -11.030 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -6.677 -5.021 -11.465 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -6.478 -8.025 -13.665 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -4.818 -8.468 -13.202 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -6.153 -8.691 -12.047 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -8.831 -5.479 -12.537 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -7.551 -5.309 -13.761 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -8.151 -6.925 -13.320 1.00 0.00 H new ATOM 768 N TYR A 47 -2.364 -6.804 -12.334 1.00 0.00 N ATOM 769 CA TYR A 47 -1.128 -7.478 -12.812 1.00 0.00 C ATOM 770 C TYR A 47 -0.266 -7.912 -11.631 1.00 0.00 C ATOM 771 O TYR A 47 0.253 -9.034 -11.569 1.00 0.00 O ATOM 772 CB TYR A 47 -0.234 -6.541 -13.650 1.00 0.00 C ATOM 773 CG TYR A 47 -0.878 -5.782 -14.780 1.00 0.00 C ATOM 774 CD1 TYR A 47 -1.785 -6.370 -15.647 1.00 0.00 C ATOM 775 CD2 TYR A 47 -0.531 -4.460 -14.994 1.00 0.00 C ATOM 776 CE1 TYR A 47 -2.330 -5.648 -16.693 1.00 0.00 C ATOM 777 CE2 TYR A 47 -1.069 -3.734 -16.023 1.00 0.00 C ATOM 778 CZ TYR A 47 -1.969 -4.326 -16.874 1.00 0.00 C ATOM 779 OH TYR A 47 -2.502 -3.599 -17.928 1.00 0.00 O ATOM 0 H TYR A 47 -2.481 -5.850 -12.677 1.00 0.00 H new ATOM 0 HA TYR A 47 -1.469 -8.322 -13.412 1.00 0.00 H new ATOM 0 HB2 TYR A 47 0.218 -5.815 -12.974 1.00 0.00 H new ATOM 0 HB3 TYR A 47 0.578 -7.137 -14.067 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -2.069 -7.402 -15.504 1.00 0.00 H new ATOM 0 HD2 TYR A 47 0.182 -3.989 -14.333 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -3.034 -6.115 -17.365 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -0.787 -2.701 -16.164 1.00 0.00 H new ATOM 0 HH TYR A 47 -2.145 -2.687 -17.910 1.00 0.00 H new ATOM 789 N VAL A 48 -0.133 -7.011 -10.710 1.00 0.00 N ATOM 790 CA VAL A 48 0.731 -7.161 -9.584 1.00 0.00 C ATOM 791 C VAL A 48 0.166 -8.159 -8.582 1.00 0.00 C ATOM 792 O VAL A 48 0.847 -9.106 -8.183 1.00 0.00 O ATOM 793 CB VAL A 48 0.986 -5.781 -8.934 1.00 0.00 C ATOM 794 CG1 VAL A 48 1.908 -5.887 -7.739 1.00 0.00 C ATOM 795 CG2 VAL A 48 1.570 -4.831 -9.971 1.00 0.00 C ATOM 0 H VAL A 48 -0.638 -6.125 -10.722 1.00 0.00 H new ATOM 0 HA VAL A 48 1.685 -7.563 -9.924 1.00 0.00 H new ATOM 0 HB VAL A 48 0.033 -5.391 -8.576 1.00 0.00 H new ATOM 0 HG11 VAL A 48 2.063 -4.897 -7.310 1.00 0.00 H new ATOM 0 HG12 VAL A 48 1.460 -6.541 -6.991 1.00 0.00 H new ATOM 0 HG13 VAL A 48 2.866 -6.300 -8.054 1.00 0.00 H new ATOM 0 HG21 VAL A 48 1.750 -3.858 -9.513 1.00 0.00 H new ATOM 0 HG22 VAL A 48 2.510 -5.235 -10.346 1.00 0.00 H new ATOM 0 HG23 VAL A 48 0.868 -4.719 -10.798 1.00 0.00 H new ATOM 805 N TYR A 49 -1.084 -7.994 -8.233 1.00 0.00 N ATOM 806 CA TYR A 49 -1.735 -8.869 -7.272 1.00 0.00 C ATOM 807 C TYR A 49 -1.814 -10.294 -7.782 1.00 0.00 C ATOM 808 O TYR A 49 -1.630 -11.227 -7.025 1.00 0.00 O ATOM 809 CB TYR A 49 -3.128 -8.350 -6.877 1.00 0.00 C ATOM 810 CG TYR A 49 -3.130 -7.126 -5.958 1.00 0.00 C ATOM 811 CD1 TYR A 49 -2.070 -6.216 -5.934 1.00 0.00 C ATOM 812 CD2 TYR A 49 -4.198 -6.893 -5.104 1.00 0.00 C ATOM 813 CE1 TYR A 49 -2.084 -5.122 -5.098 1.00 0.00 C ATOM 814 CE2 TYR A 49 -4.218 -5.799 -4.266 1.00 0.00 C ATOM 815 CZ TYR A 49 -3.159 -4.916 -4.269 1.00 0.00 C ATOM 816 OH TYR A 49 -3.176 -3.827 -3.434 1.00 0.00 O ATOM 0 H TYR A 49 -1.683 -7.255 -8.601 1.00 0.00 H new ATOM 0 HA TYR A 49 -1.117 -8.868 -6.374 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -3.677 -8.103 -7.785 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -3.672 -9.156 -6.384 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -1.222 -6.374 -6.584 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -5.030 -7.582 -5.096 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -1.255 -4.430 -5.094 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -5.060 -5.634 -3.610 1.00 0.00 H new ATOM 0 HH TYR A 49 -3.739 -4.020 -2.656 1.00 0.00 H new ATOM 826 N SER A 50 -2.017 -10.453 -9.074 1.00 0.00 N ATOM 827 CA SER A 50 -2.122 -11.770 -9.666 1.00 0.00 C ATOM 828 C SER A 50 -0.749 -12.471 -9.747 1.00 0.00 C ATOM 829 O SER A 50 -0.665 -13.697 -9.821 1.00 0.00 O ATOM 830 CB SER A 50 -2.788 -11.670 -11.039 1.00 0.00 C ATOM 831 OG SER A 50 -2.072 -10.797 -11.891 1.00 0.00 O ATOM 0 H SER A 50 -2.113 -9.683 -9.736 1.00 0.00 H new ATOM 0 HA SER A 50 -2.747 -12.389 -9.023 1.00 0.00 H new ATOM 0 HB2 SER A 50 -2.844 -12.660 -11.492 1.00 0.00 H new ATOM 0 HB3 SER A 50 -3.812 -11.313 -10.925 1.00 0.00 H new ATOM 0 HG SER A 50 -2.396 -9.880 -11.767 1.00 0.00 H new ATOM 837 N SER A 51 0.315 -11.696 -9.724 1.00 0.00 N ATOM 838 CA SER A 51 1.649 -12.243 -9.778 1.00 0.00 C ATOM 839 C SER A 51 2.171 -12.513 -8.350 1.00 0.00 C ATOM 840 O SER A 51 2.984 -13.403 -8.119 1.00 0.00 O ATOM 841 CB SER A 51 2.574 -11.265 -10.540 1.00 0.00 C ATOM 842 OG SER A 51 3.886 -11.776 -10.700 1.00 0.00 O ATOM 0 H SER A 51 0.278 -10.678 -9.668 1.00 0.00 H new ATOM 0 HA SER A 51 1.636 -13.193 -10.311 1.00 0.00 H new ATOM 0 HB2 SER A 51 2.147 -11.055 -11.521 1.00 0.00 H new ATOM 0 HB3 SER A 51 2.619 -10.318 -10.002 1.00 0.00 H new ATOM 0 HG SER A 51 4.433 -11.125 -11.188 1.00 0.00 H new ATOM 848 N HIS A 52 1.652 -11.778 -7.389 1.00 0.00 N ATOM 849 CA HIS A 52 2.137 -11.866 -6.014 1.00 0.00 C ATOM 850 C HIS A 52 0.996 -12.332 -5.083 1.00 0.00 C ATOM 851 O HIS A 52 0.925 -11.937 -3.918 1.00 0.00 O ATOM 852 CB HIS A 52 2.690 -10.484 -5.559 1.00 0.00 C ATOM 853 CG HIS A 52 3.811 -9.903 -6.429 1.00 0.00 C ATOM 854 ND1 HIS A 52 5.146 -10.118 -6.198 1.00 0.00 N ATOM 855 CD2 HIS A 52 3.763 -9.078 -7.510 1.00 0.00 C ATOM 856 CE1 HIS A 52 5.864 -9.453 -7.089 1.00 0.00 C ATOM 857 NE2 HIS A 52 5.047 -8.821 -7.890 1.00 0.00 N ATOM 0 H HIS A 52 0.893 -11.110 -7.528 1.00 0.00 H new ATOM 0 HA HIS A 52 2.945 -12.596 -5.962 1.00 0.00 H new ATOM 0 HB2 HIS A 52 1.865 -9.772 -5.536 1.00 0.00 H new ATOM 0 HB3 HIS A 52 3.058 -10.578 -4.537 1.00 0.00 H new ATOM 0 HD2 HIS A 52 2.870 -8.696 -7.982 1.00 0.00 H new ATOM 0 HE1 HIS A 52 6.942 -9.436 -7.145 1.00 0.00 H new ATOM 0 HE2 HIS A 52 5.325 -8.230 -8.674 1.00 0.00 H new ATOM 866 N LEU A 53 0.160 -13.237 -5.611 1.00 0.00 N ATOM 867 CA LEU A 53 -1.062 -13.766 -4.943 1.00 0.00 C ATOM 868 C LEU A 53 -0.853 -14.233 -3.506 1.00 0.00 C ATOM 869 O LEU A 53 -1.674 -13.942 -2.641 1.00 0.00 O ATOM 870 CB LEU A 53 -1.657 -14.932 -5.745 1.00 0.00 C ATOM 871 CG LEU A 53 -2.295 -14.597 -7.085 1.00 0.00 C ATOM 872 CD1 LEU A 53 -2.603 -15.873 -7.845 1.00 0.00 C ATOM 873 CD2 LEU A 53 -3.578 -13.800 -6.879 1.00 0.00 C ATOM 0 H LEU A 53 0.309 -13.638 -6.537 1.00 0.00 H new ATOM 0 HA LEU A 53 -1.743 -12.916 -4.909 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -0.866 -15.661 -5.920 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -2.409 -15.420 -5.125 1.00 0.00 H new ATOM 0 HG LEU A 53 -1.594 -13.993 -7.662 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -3.060 -15.625 -8.803 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -1.680 -16.427 -8.016 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -3.291 -16.486 -7.263 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -4.022 -13.568 -7.847 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -4.281 -14.388 -6.289 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -3.350 -12.873 -6.353 1.00 0.00 H new ATOM 885 N ASP A 54 0.226 -14.958 -3.267 1.00 0.00 N ATOM 886 CA ASP A 54 0.501 -15.553 -1.939 1.00 0.00 C ATOM 887 C ASP A 54 0.532 -14.497 -0.836 1.00 0.00 C ATOM 888 O ASP A 54 -0.088 -14.670 0.210 1.00 0.00 O ATOM 889 CB ASP A 54 1.801 -16.355 -1.957 1.00 0.00 C ATOM 890 CG ASP A 54 2.030 -17.163 -0.692 1.00 0.00 C ATOM 891 OD1 ASP A 54 1.516 -18.304 -0.602 1.00 0.00 O ATOM 892 OD2 ASP A 54 2.784 -16.727 0.188 1.00 0.00 O ATOM 0 H ASP A 54 0.938 -15.158 -3.969 1.00 0.00 H new ATOM 0 HA ASP A 54 -0.320 -16.234 -1.716 1.00 0.00 H new ATOM 0 HB2 ASP A 54 1.791 -17.030 -2.813 1.00 0.00 H new ATOM 0 HB3 ASP A 54 2.638 -15.672 -2.099 1.00 0.00 H new ATOM 897 N GLU A 55 1.211 -13.399 -1.105 1.00 0.00 N ATOM 898 CA GLU A 55 1.294 -12.269 -0.180 1.00 0.00 C ATOM 899 C GLU A 55 -0.086 -11.608 -0.048 1.00 0.00 C ATOM 900 O GLU A 55 -0.565 -11.324 1.054 1.00 0.00 O ATOM 901 CB GLU A 55 2.283 -11.250 -0.743 1.00 0.00 C ATOM 902 CG GLU A 55 2.522 -10.008 0.112 1.00 0.00 C ATOM 903 CD GLU A 55 3.350 -10.250 1.366 1.00 0.00 C ATOM 904 OE1 GLU A 55 3.795 -11.394 1.602 1.00 0.00 O ATOM 905 OE2 GLU A 55 3.590 -9.282 2.125 1.00 0.00 O ATOM 0 H GLU A 55 1.726 -13.258 -1.974 1.00 0.00 H new ATOM 0 HA GLU A 55 1.623 -12.617 0.799 1.00 0.00 H new ATOM 0 HB2 GLU A 55 3.239 -11.749 -0.899 1.00 0.00 H new ATOM 0 HB3 GLU A 55 1.927 -10.930 -1.722 1.00 0.00 H new ATOM 0 HG2 GLU A 55 3.021 -9.255 -0.497 1.00 0.00 H new ATOM 0 HG3 GLU A 55 1.557 -9.593 0.404 1.00 0.00 H new ATOM 912 N ILE A 56 -0.733 -11.419 -1.192 1.00 0.00 N ATOM 913 CA ILE A 56 -2.027 -10.744 -1.270 1.00 0.00 C ATOM 914 C ILE A 56 -3.085 -11.473 -0.439 1.00 0.00 C ATOM 915 O ILE A 56 -3.789 -10.860 0.335 1.00 0.00 O ATOM 916 CB ILE A 56 -2.525 -10.609 -2.748 1.00 0.00 C ATOM 917 CG1 ILE A 56 -1.474 -9.909 -3.634 1.00 0.00 C ATOM 918 CG2 ILE A 56 -3.864 -9.871 -2.821 1.00 0.00 C ATOM 919 CD1 ILE A 56 -1.043 -8.533 -3.160 1.00 0.00 C ATOM 0 H ILE A 56 -0.376 -11.730 -2.095 1.00 0.00 H new ATOM 0 HA ILE A 56 -1.881 -9.744 -0.862 1.00 0.00 H new ATOM 0 HB ILE A 56 -2.673 -11.619 -3.131 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -0.592 -10.547 -3.697 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -1.875 -9.819 -4.644 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -4.181 -9.795 -3.861 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -4.614 -10.421 -2.252 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -3.752 -8.871 -2.401 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -0.303 -8.126 -3.849 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -1.909 -7.872 -3.125 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -0.607 -8.611 -2.164 1.00 0.00 H new ATOM 931 N ARG A 57 -3.151 -12.787 -0.580 1.00 0.00 N ATOM 932 CA ARG A 57 -4.142 -13.595 0.141 1.00 0.00 C ATOM 933 C ARG A 57 -3.791 -13.700 1.628 1.00 0.00 C ATOM 934 O ARG A 57 -4.668 -13.903 2.474 1.00 0.00 O ATOM 935 CB ARG A 57 -4.266 -15.010 -0.465 1.00 0.00 C ATOM 936 CG ARG A 57 -2.996 -15.842 -0.357 1.00 0.00 C ATOM 937 CD ARG A 57 -3.169 -17.238 -0.909 1.00 0.00 C ATOM 938 NE ARG A 57 -1.923 -18.014 -0.799 1.00 0.00 N ATOM 939 CZ ARG A 57 -1.796 -19.325 -1.049 1.00 0.00 C ATOM 940 NH1 ARG A 57 -2.852 -20.056 -1.406 1.00 0.00 N ATOM 941 NH2 ARG A 57 -0.605 -19.899 -0.938 1.00 0.00 N ATOM 0 H ARG A 57 -2.532 -13.325 -1.187 1.00 0.00 H new ATOM 0 HA ARG A 57 -5.102 -13.089 0.039 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -5.078 -15.538 0.035 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -4.542 -14.921 -1.516 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -2.190 -15.340 -0.893 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -2.694 -15.903 0.688 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -3.967 -17.749 -0.370 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -3.475 -17.183 -1.954 1.00 0.00 H new ATOM 0 HE ARG A 57 -1.085 -17.511 -0.508 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -3.770 -19.619 -1.492 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -2.742 -21.053 -1.594 1.00 0.00 H new ATOM 0 HH21 ARG A 57 0.205 -19.343 -0.664 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -0.500 -20.896 -1.126 1.00 0.00 H new ATOM 955 N LYS A 58 -2.520 -13.539 1.944 1.00 0.00 N ATOM 956 CA LYS A 58 -2.050 -13.666 3.300 1.00 0.00 C ATOM 957 C LYS A 58 -2.497 -12.465 4.103 1.00 0.00 C ATOM 958 O LYS A 58 -3.039 -12.590 5.203 1.00 0.00 O ATOM 959 CB LYS A 58 -0.521 -13.767 3.322 1.00 0.00 C ATOM 960 CG LYS A 58 0.058 -14.113 4.679 1.00 0.00 C ATOM 961 CD LYS A 58 -0.403 -15.483 5.125 1.00 0.00 C ATOM 962 CE LYS A 58 0.239 -15.900 6.428 1.00 0.00 C ATOM 963 NZ LYS A 58 -0.241 -17.228 6.866 1.00 0.00 N ATOM 0 H LYS A 58 -1.791 -13.317 1.266 1.00 0.00 H new ATOM 0 HA LYS A 58 -2.467 -14.572 3.739 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -0.207 -14.523 2.602 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -0.100 -12.817 2.991 1.00 0.00 H new ATOM 0 HG2 LYS A 58 1.147 -14.088 4.632 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -0.247 -13.365 5.411 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -1.487 -15.481 5.239 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -0.165 -16.215 4.353 1.00 0.00 H new ATOM 0 HE2 LYS A 58 1.322 -15.924 6.310 1.00 0.00 H new ATOM 0 HE3 LYS A 58 0.018 -15.160 7.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 0.219 -17.485 7.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -1.272 -17.197 7.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -0.008 -17.937 6.142 1.00 0.00 H new ATOM 977 N ASN A 59 -2.311 -11.313 3.540 1.00 0.00 N ATOM 978 CA ASN A 59 -2.632 -10.086 4.214 1.00 0.00 C ATOM 979 C ASN A 59 -3.718 -9.374 3.434 1.00 0.00 C ATOM 980 O ASN A 59 -3.686 -8.153 3.257 1.00 0.00 O ATOM 981 CB ASN A 59 -1.385 -9.212 4.296 1.00 0.00 C ATOM 982 CG ASN A 59 -0.125 -9.988 4.663 1.00 0.00 C ATOM 983 OD1 ASN A 59 0.614 -10.435 3.809 1.00 0.00 O ATOM 984 ND2 ASN A 59 0.103 -10.186 5.915 1.00 0.00 N ATOM 0 H ASN A 59 -1.933 -11.192 2.601 1.00 0.00 H new ATOM 0 HA ASN A 59 -2.984 -10.291 5.225 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -1.232 -8.719 3.336 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -1.548 -8.428 5.035 1.00 0.00 H new ATOM 0 HD21 ASN A 59 0.917 -10.727 6.206 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -0.531 -9.801 6.616 1.00 0.00 H new ATOM 991 N LYS A 60 -4.727 -10.150 3.060 1.00 0.00 N ATOM 992 CA LYS A 60 -5.845 -9.731 2.178 1.00 0.00 C ATOM 993 C LYS A 60 -6.521 -8.411 2.586 1.00 0.00 C ATOM 994 O LYS A 60 -6.919 -7.630 1.731 1.00 0.00 O ATOM 995 CB LYS A 60 -6.891 -10.872 2.018 1.00 0.00 C ATOM 996 CG LYS A 60 -7.828 -11.153 3.216 1.00 0.00 C ATOM 997 CD LYS A 60 -7.111 -11.518 4.521 1.00 0.00 C ATOM 998 CE LYS A 60 -8.124 -11.833 5.622 1.00 0.00 C ATOM 999 NZ LYS A 60 -7.503 -11.924 6.965 1.00 0.00 N ATOM 0 H LYS A 60 -4.806 -11.121 3.363 1.00 0.00 H new ATOM 0 HA LYS A 60 -5.386 -9.530 1.210 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -7.512 -10.641 1.152 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -6.353 -11.792 1.788 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -8.445 -10.272 3.391 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -8.503 -11.966 2.949 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -6.464 -12.380 4.358 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -6.471 -10.693 4.834 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -8.893 -11.060 5.634 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -8.622 -12.775 5.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -8.178 -12.350 7.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -6.648 -12.514 6.913 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -7.246 -10.971 7.294 1.00 0.00 H new ATOM 1013 N GLU A 61 -6.603 -8.162 3.879 1.00 0.00 N ATOM 1014 CA GLU A 61 -7.225 -6.968 4.410 1.00 0.00 C ATOM 1015 C GLU A 61 -6.409 -5.739 4.041 1.00 0.00 C ATOM 1016 O GLU A 61 -6.933 -4.754 3.514 1.00 0.00 O ATOM 1017 CB GLU A 61 -7.308 -7.104 5.911 1.00 0.00 C ATOM 1018 CG GLU A 61 -8.132 -8.295 6.352 1.00 0.00 C ATOM 1019 CD GLU A 61 -8.023 -8.575 7.819 1.00 0.00 C ATOM 1020 OE1 GLU A 61 -8.725 -7.927 8.610 1.00 0.00 O ATOM 1021 OE2 GLU A 61 -7.249 -9.484 8.194 1.00 0.00 O ATOM 0 H GLU A 61 -6.236 -8.789 4.595 1.00 0.00 H new ATOM 0 HA GLU A 61 -8.223 -6.851 3.988 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -6.301 -7.195 6.318 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -7.740 -6.195 6.329 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -9.178 -8.120 6.099 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -7.813 -9.176 5.795 1.00 0.00 H new ATOM 1028 N PHE A 62 -5.114 -5.839 4.275 1.00 0.00 N ATOM 1029 CA PHE A 62 -4.186 -4.770 3.992 1.00 0.00 C ATOM 1030 C PHE A 62 -4.149 -4.504 2.504 1.00 0.00 C ATOM 1031 O PHE A 62 -4.349 -3.375 2.062 1.00 0.00 O ATOM 1032 CB PHE A 62 -2.781 -5.146 4.500 1.00 0.00 C ATOM 1033 CG PHE A 62 -1.696 -4.147 4.171 1.00 0.00 C ATOM 1034 CD1 PHE A 62 -1.505 -3.029 4.957 1.00 0.00 C ATOM 1035 CD2 PHE A 62 -0.864 -4.339 3.073 1.00 0.00 C ATOM 1036 CE1 PHE A 62 -0.513 -2.119 4.657 1.00 0.00 C ATOM 1037 CE2 PHE A 62 0.130 -3.436 2.769 1.00 0.00 C ATOM 1038 CZ PHE A 62 0.306 -2.323 3.560 1.00 0.00 C ATOM 0 H PHE A 62 -4.677 -6.672 4.670 1.00 0.00 H new ATOM 0 HA PHE A 62 -4.514 -3.866 4.505 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -2.823 -5.271 5.582 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -2.505 -6.112 4.078 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -2.139 -2.865 5.816 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -1.000 -5.210 2.449 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -0.375 -1.247 5.279 1.00 0.00 H new ATOM 0 HE2 PHE A 62 0.769 -3.600 1.914 1.00 0.00 H new ATOM 0 HZ PHE A 62 1.082 -1.610 3.325 1.00 0.00 H new ATOM 1048 N TYR A 63 -3.952 -5.559 1.739 1.00 0.00 N ATOM 1049 CA TYR A 63 -3.805 -5.445 0.312 1.00 0.00 C ATOM 1050 C TYR A 63 -5.052 -4.977 -0.400 1.00 0.00 C ATOM 1051 O TYR A 63 -4.955 -4.361 -1.451 1.00 0.00 O ATOM 1052 CB TYR A 63 -3.169 -6.689 -0.314 1.00 0.00 C ATOM 1053 CG TYR A 63 -1.713 -6.829 0.094 1.00 0.00 C ATOM 1054 CD1 TYR A 63 -0.740 -6.031 -0.493 1.00 0.00 C ATOM 1055 CD2 TYR A 63 -1.319 -7.714 1.081 1.00 0.00 C ATOM 1056 CE1 TYR A 63 0.580 -6.109 -0.105 1.00 0.00 C ATOM 1057 CE2 TYR A 63 0.010 -7.807 1.473 1.00 0.00 C ATOM 1058 CZ TYR A 63 0.951 -6.998 0.876 1.00 0.00 C ATOM 1059 OH TYR A 63 2.265 -7.050 1.281 1.00 0.00 O ATOM 0 H TYR A 63 -3.890 -6.514 2.093 1.00 0.00 H new ATOM 0 HA TYR A 63 -3.092 -4.635 0.157 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -3.722 -7.577 -0.007 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -3.240 -6.629 -1.400 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -1.023 -5.335 -1.269 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -2.057 -8.344 1.555 1.00 0.00 H new ATOM 0 HE1 TYR A 63 1.320 -5.474 -0.570 1.00 0.00 H new ATOM 0 HE2 TYR A 63 0.303 -8.508 2.240 1.00 0.00 H new ATOM 0 HH TYR A 63 2.441 -7.913 1.711 1.00 0.00 H new ATOM 1069 N ASP A 64 -6.211 -5.218 0.167 1.00 0.00 N ATOM 1070 CA ASP A 64 -7.427 -4.703 -0.444 1.00 0.00 C ATOM 1071 C ASP A 64 -7.607 -3.233 -0.140 1.00 0.00 C ATOM 1072 O ASP A 64 -7.859 -2.428 -1.042 1.00 0.00 O ATOM 1073 CB ASP A 64 -8.666 -5.459 -0.015 1.00 0.00 C ATOM 1074 CG ASP A 64 -9.912 -4.874 -0.647 1.00 0.00 C ATOM 1075 OD1 ASP A 64 -10.122 -5.070 -1.869 1.00 0.00 O ATOM 1076 OD2 ASP A 64 -10.706 -4.235 0.054 1.00 0.00 O ATOM 0 H ASP A 64 -6.344 -5.751 1.026 1.00 0.00 H new ATOM 0 HA ASP A 64 -7.306 -4.844 -1.518 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -8.571 -6.508 -0.296 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -8.757 -5.427 1.071 1.00 0.00 H new ATOM 1081 N MET A 65 -7.440 -2.873 1.119 1.00 0.00 N ATOM 1082 CA MET A 65 -7.629 -1.500 1.529 1.00 0.00 C ATOM 1083 C MET A 65 -6.603 -0.580 0.918 1.00 0.00 C ATOM 1084 O MET A 65 -6.937 0.543 0.537 1.00 0.00 O ATOM 1085 CB MET A 65 -7.720 -1.352 3.044 1.00 0.00 C ATOM 1086 CG MET A 65 -8.966 -1.994 3.612 1.00 0.00 C ATOM 1087 SD MET A 65 -9.178 -1.754 5.392 1.00 0.00 S ATOM 1088 CE MET A 65 -7.782 -2.673 6.036 1.00 0.00 C ATOM 0 H MET A 65 -7.175 -3.511 1.870 1.00 0.00 H new ATOM 0 HA MET A 65 -8.597 -1.188 1.137 1.00 0.00 H new ATOM 0 HB2 MET A 65 -6.840 -1.803 3.504 1.00 0.00 H new ATOM 0 HB3 MET A 65 -7.709 -0.294 3.304 1.00 0.00 H new ATOM 0 HG2 MET A 65 -9.837 -1.590 3.096 1.00 0.00 H new ATOM 0 HG3 MET A 65 -8.939 -3.063 3.402 1.00 0.00 H new ATOM 0 HE1 MET A 65 -8.142 -3.494 6.656 1.00 0.00 H new ATOM 0 HE2 MET A 65 -7.197 -3.073 5.208 1.00 0.00 H new ATOM 0 HE3 MET A 65 -7.157 -2.012 6.636 1.00 0.00 H new ATOM 1098 N ILE A 66 -5.365 -1.051 0.764 1.00 0.00 N ATOM 1099 CA ILE A 66 -4.378 -0.226 0.101 1.00 0.00 C ATOM 1100 C ILE A 66 -4.735 -0.049 -1.355 1.00 0.00 C ATOM 1101 O ILE A 66 -4.611 1.029 -1.861 1.00 0.00 O ATOM 1102 CB ILE A 66 -2.897 -0.688 0.227 1.00 0.00 C ATOM 1103 CG1 ILE A 66 -2.672 -2.072 -0.356 1.00 0.00 C ATOM 1104 CG2 ILE A 66 -2.449 -0.646 1.669 1.00 0.00 C ATOM 1105 CD1 ILE A 66 -1.211 -2.415 -0.531 1.00 0.00 C ATOM 0 H ILE A 66 -5.038 -1.965 1.079 1.00 0.00 H new ATOM 0 HA ILE A 66 -4.420 0.721 0.639 1.00 0.00 H new ATOM 0 HB ILE A 66 -2.295 0.009 -0.355 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -3.137 -2.813 0.294 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -3.172 -2.138 -1.322 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -1.411 -0.972 1.737 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -2.535 0.373 2.047 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -3.077 -1.308 2.265 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -1.120 -3.417 -0.951 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -0.746 -1.695 -1.205 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -0.711 -2.381 0.437 1.00 0.00 H new ATOM 1117 N ALA A 67 -5.252 -1.107 -1.999 1.00 0.00 N ATOM 1118 CA ALA A 67 -5.641 -1.048 -3.412 1.00 0.00 C ATOM 1119 C ALA A 67 -6.662 0.057 -3.628 1.00 0.00 C ATOM 1120 O ALA A 67 -6.575 0.820 -4.592 1.00 0.00 O ATOM 1121 CB ALA A 67 -6.202 -2.386 -3.876 1.00 0.00 C ATOM 0 H ALA A 67 -5.410 -2.014 -1.560 1.00 0.00 H new ATOM 0 HA ALA A 67 -4.753 -0.828 -4.004 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -6.484 -2.318 -4.927 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -5.445 -3.160 -3.753 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -7.080 -2.639 -3.281 1.00 0.00 H new ATOM 1127 N GLU A 68 -7.602 0.150 -2.705 1.00 0.00 N ATOM 1128 CA GLU A 68 -8.607 1.192 -2.707 1.00 0.00 C ATOM 1129 C GLU A 68 -7.938 2.568 -2.568 1.00 0.00 C ATOM 1130 O GLU A 68 -8.062 3.426 -3.448 1.00 0.00 O ATOM 1131 CB GLU A 68 -9.566 0.952 -1.529 1.00 0.00 C ATOM 1132 CG GLU A 68 -10.635 2.023 -1.324 1.00 0.00 C ATOM 1133 CD GLU A 68 -11.621 2.095 -2.454 1.00 0.00 C ATOM 1134 OE1 GLU A 68 -12.639 1.387 -2.408 1.00 0.00 O ATOM 1135 OE2 GLU A 68 -11.411 2.860 -3.390 1.00 0.00 O ATOM 0 H GLU A 68 -7.688 -0.503 -1.926 1.00 0.00 H new ATOM 0 HA GLU A 68 -9.161 1.170 -3.646 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -10.061 -0.008 -1.676 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -8.978 0.871 -0.615 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -11.169 1.821 -0.396 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -10.152 2.993 -1.209 1.00 0.00 H new ATOM 1142 N ILE A 69 -7.165 2.722 -1.498 1.00 0.00 N ATOM 1143 CA ILE A 69 -6.503 3.978 -1.150 1.00 0.00 C ATOM 1144 C ILE A 69 -5.521 4.442 -2.235 1.00 0.00 C ATOM 1145 O ILE A 69 -5.480 5.625 -2.563 1.00 0.00 O ATOM 1146 CB ILE A 69 -5.800 3.857 0.232 1.00 0.00 C ATOM 1147 CG1 ILE A 69 -6.859 3.591 1.311 1.00 0.00 C ATOM 1148 CG2 ILE A 69 -4.988 5.114 0.569 1.00 0.00 C ATOM 1149 CD1 ILE A 69 -6.294 3.261 2.668 1.00 0.00 C ATOM 0 H ILE A 69 -6.977 1.968 -0.837 1.00 0.00 H new ATOM 0 HA ILE A 69 -7.275 4.745 -1.082 1.00 0.00 H new ATOM 0 HB ILE A 69 -5.096 3.025 0.193 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -7.498 4.470 1.401 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -7.494 2.767 0.985 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -4.512 4.990 1.542 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -4.223 5.268 -0.192 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -5.651 5.979 0.597 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -7.110 3.088 3.370 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -5.679 2.364 2.598 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -5.683 4.093 3.020 1.00 0.00 H new ATOM 1161 N LEU A 70 -4.772 3.506 -2.803 1.00 0.00 N ATOM 1162 CA LEU A 70 -3.796 3.790 -3.856 1.00 0.00 C ATOM 1163 C LEU A 70 -4.424 4.516 -5.034 1.00 0.00 C ATOM 1164 O LEU A 70 -3.933 5.544 -5.447 1.00 0.00 O ATOM 1165 CB LEU A 70 -3.105 2.497 -4.326 1.00 0.00 C ATOM 1166 CG LEU A 70 -2.167 1.825 -3.310 1.00 0.00 C ATOM 1167 CD1 LEU A 70 -1.756 0.447 -3.785 1.00 0.00 C ATOM 1168 CD2 LEU A 70 -0.937 2.679 -3.071 1.00 0.00 C ATOM 0 H LEU A 70 -4.822 2.520 -2.547 1.00 0.00 H new ATOM 0 HA LEU A 70 -3.044 4.452 -3.426 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -3.875 1.779 -4.609 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -2.532 2.721 -5.226 1.00 0.00 H new ATOM 0 HG LEU A 70 -2.710 1.721 -2.371 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -1.093 -0.008 -3.050 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -2.643 -0.175 -3.908 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -1.236 0.531 -4.739 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -0.286 2.186 -2.349 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -0.400 2.815 -4.010 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -1.239 3.651 -2.682 1.00 0.00 H new ATOM 1180 N GLN A 71 -5.537 4.000 -5.532 1.00 0.00 N ATOM 1181 CA GLN A 71 -6.211 4.594 -6.700 1.00 0.00 C ATOM 1182 C GLN A 71 -6.804 5.938 -6.310 1.00 0.00 C ATOM 1183 O GLN A 71 -6.550 6.976 -6.936 1.00 0.00 O ATOM 1184 CB GLN A 71 -7.335 3.666 -7.178 1.00 0.00 C ATOM 1185 CG GLN A 71 -6.916 2.211 -7.301 1.00 0.00 C ATOM 1186 CD GLN A 71 -8.039 1.292 -7.728 1.00 0.00 C ATOM 1187 OE1 GLN A 71 -8.922 1.667 -8.497 1.00 0.00 O ATOM 1188 NE2 GLN A 71 -8.053 0.113 -7.171 1.00 0.00 N ATOM 0 H GLN A 71 -6.000 3.173 -5.154 1.00 0.00 H new ATOM 0 HA GLN A 71 -5.486 4.729 -7.503 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -8.172 3.736 -6.483 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -7.694 4.014 -8.146 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -6.102 2.136 -8.022 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -6.525 1.872 -6.342 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -7.301 -0.161 -6.538 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -8.815 -0.535 -7.368 1.00 0.00 H new ATOM 1197 N ARG A 72 -7.521 5.885 -5.227 1.00 0.00 N ATOM 1198 CA ARG A 72 -8.266 6.973 -4.643 1.00 0.00 C ATOM 1199 C ARG A 72 -7.372 8.194 -4.359 1.00 0.00 C ATOM 1200 O ARG A 72 -7.707 9.332 -4.719 1.00 0.00 O ATOM 1201 CB ARG A 72 -8.852 6.390 -3.374 1.00 0.00 C ATOM 1202 CG ARG A 72 -9.711 7.246 -2.507 1.00 0.00 C ATOM 1203 CD ARG A 72 -10.186 6.371 -1.373 1.00 0.00 C ATOM 1204 NE ARG A 72 -10.927 7.072 -0.354 1.00 0.00 N ATOM 1205 CZ ARG A 72 -10.970 6.676 0.915 1.00 0.00 C ATOM 1206 NH1 ARG A 72 -10.338 5.563 1.294 1.00 0.00 N ATOM 1207 NH2 ARG A 72 -11.652 7.355 1.806 1.00 0.00 N ATOM 0 H ARG A 72 -7.610 5.024 -4.688 1.00 0.00 H new ATOM 0 HA ARG A 72 -9.038 7.349 -5.314 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -9.439 5.516 -3.656 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -8.022 6.034 -2.764 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -9.150 8.100 -2.128 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -10.556 7.643 -3.070 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -10.812 5.577 -1.780 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -9.322 5.892 -0.913 1.00 0.00 H new ATOM 0 HE ARG A 72 -11.443 7.911 -0.619 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -9.820 5.013 0.609 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -10.374 5.263 2.268 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -12.157 8.197 1.529 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -11.677 7.041 2.776 1.00 0.00 H new ATOM 1221 N TYR A 73 -6.235 7.959 -3.756 1.00 0.00 N ATOM 1222 CA TYR A 73 -5.337 9.032 -3.423 1.00 0.00 C ATOM 1223 C TYR A 73 -4.354 9.361 -4.523 1.00 0.00 C ATOM 1224 O TYR A 73 -3.761 10.433 -4.505 1.00 0.00 O ATOM 1225 CB TYR A 73 -4.655 8.833 -2.075 1.00 0.00 C ATOM 1226 CG TYR A 73 -5.542 9.183 -0.902 1.00 0.00 C ATOM 1227 CD1 TYR A 73 -6.537 8.321 -0.453 1.00 0.00 C ATOM 1228 CD2 TYR A 73 -5.382 10.397 -0.248 1.00 0.00 C ATOM 1229 CE1 TYR A 73 -7.347 8.666 0.619 1.00 0.00 C ATOM 1230 CE2 TYR A 73 -6.179 10.746 0.817 1.00 0.00 C ATOM 1231 CZ TYR A 73 -7.159 9.884 1.249 1.00 0.00 C ATOM 1232 OH TYR A 73 -7.960 10.246 2.312 1.00 0.00 O ATOM 0 H TYR A 73 -5.909 7.031 -3.485 1.00 0.00 H new ATOM 0 HA TYR A 73 -5.970 9.913 -3.323 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -4.338 7.794 -1.985 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -3.754 9.446 -2.037 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -6.681 7.371 -0.945 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -4.616 11.081 -0.582 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -8.118 7.990 0.959 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -6.035 11.695 1.313 1.00 0.00 H new ATOM 0 HH TYR A 73 -7.692 11.131 2.637 1.00 0.00 H new ATOM 1242 N TYR A 74 -4.182 8.483 -5.498 1.00 0.00 N ATOM 1243 CA TYR A 74 -3.342 8.803 -6.622 1.00 0.00 C ATOM 1244 C TYR A 74 -4.005 9.908 -7.431 1.00 0.00 C ATOM 1245 O TYR A 74 -3.342 10.775 -7.985 1.00 0.00 O ATOM 1246 CB TYR A 74 -3.030 7.543 -7.446 1.00 0.00 C ATOM 1247 CG TYR A 74 -3.179 7.673 -8.930 1.00 0.00 C ATOM 1248 CD1 TYR A 74 -2.179 8.218 -9.715 1.00 0.00 C ATOM 1249 CD2 TYR A 74 -4.335 7.244 -9.541 1.00 0.00 C ATOM 1250 CE1 TYR A 74 -2.337 8.325 -11.074 1.00 0.00 C ATOM 1251 CE2 TYR A 74 -4.501 7.337 -10.883 1.00 0.00 C ATOM 1252 CZ TYR A 74 -3.502 7.879 -11.659 1.00 0.00 C ATOM 1253 OH TYR A 74 -3.649 7.957 -13.024 1.00 0.00 O ATOM 0 H TYR A 74 -4.610 7.558 -5.528 1.00 0.00 H new ATOM 0 HA TYR A 74 -2.376 9.176 -6.283 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -2.007 7.236 -7.230 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -3.683 6.740 -7.105 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -1.265 8.563 -9.254 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -5.127 6.824 -8.938 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -1.554 8.756 -11.680 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -5.414 6.987 -11.342 1.00 0.00 H new ATOM 0 HH TYR A 74 -4.601 8.025 -13.247 1.00 0.00 H new ATOM 1263 N LYS A 75 -5.320 9.884 -7.443 1.00 0.00 N ATOM 1264 CA LYS A 75 -6.105 10.905 -8.101 1.00 0.00 C ATOM 1265 C LYS A 75 -5.989 12.242 -7.346 1.00 0.00 C ATOM 1266 O LYS A 75 -6.078 13.313 -7.951 1.00 0.00 O ATOM 1267 CB LYS A 75 -7.577 10.481 -8.181 1.00 0.00 C ATOM 1268 CG LYS A 75 -7.861 9.223 -8.997 1.00 0.00 C ATOM 1269 CD LYS A 75 -7.616 9.432 -10.488 1.00 0.00 C ATOM 1270 CE LYS A 75 -8.012 8.195 -11.275 1.00 0.00 C ATOM 1271 NZ LYS A 75 -7.861 8.371 -12.740 1.00 0.00 N ATOM 0 H LYS A 75 -5.876 9.155 -6.996 1.00 0.00 H new ATOM 0 HA LYS A 75 -5.718 11.034 -9.112 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -7.947 10.325 -7.167 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -8.150 11.305 -8.606 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -7.230 8.410 -8.638 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -8.895 8.917 -8.840 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -8.188 10.291 -10.839 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -6.564 9.658 -10.661 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -7.401 7.353 -10.950 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -9.048 7.943 -11.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -8.373 7.613 -13.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -8.251 9.293 -13.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -6.853 8.330 -12.992 1.00 0.00 H new ATOM 1285 N LYS A 76 -5.752 12.175 -6.037 1.00 0.00 N ATOM 1286 CA LYS A 76 -5.672 13.383 -5.213 1.00 0.00 C ATOM 1287 C LYS A 76 -4.248 13.940 -5.109 1.00 0.00 C ATOM 1288 O LYS A 76 -4.013 15.115 -5.403 1.00 0.00 O ATOM 1289 CB LYS A 76 -6.180 13.122 -3.782 1.00 0.00 C ATOM 1290 CG LYS A 76 -7.666 12.848 -3.641 1.00 0.00 C ATOM 1291 CD LYS A 76 -8.043 12.715 -2.165 1.00 0.00 C ATOM 1292 CE LYS A 76 -9.544 12.580 -1.973 1.00 0.00 C ATOM 1293 NZ LYS A 76 -9.924 12.523 -0.541 1.00 0.00 N ATOM 0 H LYS A 76 -5.613 11.304 -5.525 1.00 0.00 H new ATOM 0 HA LYS A 76 -6.304 14.115 -5.716 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -5.634 12.271 -3.374 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -5.930 13.986 -3.166 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -8.237 13.656 -4.098 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -7.926 11.933 -4.174 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -7.543 11.845 -1.740 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -7.684 13.587 -1.619 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -10.046 13.423 -2.447 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -9.893 11.678 -2.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -10.957 12.431 -0.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -9.467 11.703 -0.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -9.615 13.395 -0.065 1.00 0.00 H new ATOM 1307 N ILE A 77 -3.305 13.099 -4.736 1.00 0.00 N ATOM 1308 CA ILE A 77 -1.949 13.565 -4.462 1.00 0.00 C ATOM 1309 C ILE A 77 -0.907 12.931 -5.374 1.00 0.00 C ATOM 1310 O ILE A 77 0.145 13.507 -5.608 1.00 0.00 O ATOM 1311 CB ILE A 77 -1.550 13.355 -2.966 1.00 0.00 C ATOM 1312 CG1 ILE A 77 -1.627 11.866 -2.570 1.00 0.00 C ATOM 1313 CG2 ILE A 77 -2.442 14.199 -2.062 1.00 0.00 C ATOM 1314 CD1 ILE A 77 -1.213 11.573 -1.141 1.00 0.00 C ATOM 0 H ILE A 77 -3.444 12.096 -4.615 1.00 0.00 H new ATOM 0 HA ILE A 77 -1.962 14.634 -4.672 1.00 0.00 H new ATOM 0 HB ILE A 77 -0.516 13.677 -2.841 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -2.649 11.516 -2.718 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -0.992 11.291 -3.244 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -2.155 14.045 -1.022 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -2.327 15.252 -2.318 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -3.482 13.904 -2.199 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -1.298 10.503 -0.950 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -0.181 11.888 -0.989 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -1.863 12.117 -0.455 1.00 0.00 H new ATOM 1326 N GLY A 78 -1.178 11.744 -5.844 1.00 0.00 N ATOM 1327 CA GLY A 78 -0.262 11.089 -6.746 1.00 0.00 C ATOM 1328 C GLY A 78 0.205 9.785 -6.178 1.00 0.00 C ATOM 1329 O GLY A 78 0.421 9.687 -4.967 1.00 0.00 O ATOM 0 H GLY A 78 -2.019 11.211 -5.621 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -0.750 10.919 -7.706 1.00 0.00 H new ATOM 0 HA3 GLY A 78 0.595 11.736 -6.934 1.00 0.00 H new ATOM 1333 N ILE A 79 0.396 8.797 -7.035 1.00 0.00 N ATOM 1334 CA ILE A 79 0.741 7.442 -6.606 1.00 0.00 C ATOM 1335 C ILE A 79 2.079 7.407 -5.854 1.00 0.00 C ATOM 1336 O ILE A 79 2.197 6.739 -4.844 1.00 0.00 O ATOM 1337 CB ILE A 79 0.730 6.411 -7.800 1.00 0.00 C ATOM 1338 CG1 ILE A 79 0.984 4.977 -7.314 1.00 0.00 C ATOM 1339 CG2 ILE A 79 1.731 6.782 -8.893 1.00 0.00 C ATOM 1340 CD1 ILE A 79 -0.076 4.450 -6.367 1.00 0.00 C ATOM 0 H ILE A 79 0.318 8.905 -8.046 1.00 0.00 H new ATOM 0 HA ILE A 79 -0.039 7.132 -5.911 1.00 0.00 H new ATOM 0 HB ILE A 79 -0.270 6.456 -8.232 1.00 0.00 H new ATOM 0 HG12 ILE A 79 1.045 4.317 -8.179 1.00 0.00 H new ATOM 0 HG13 ILE A 79 1.953 4.939 -6.816 1.00 0.00 H new ATOM 0 HG21 ILE A 79 1.687 6.043 -9.693 1.00 0.00 H new ATOM 0 HG22 ILE A 79 1.485 7.765 -9.293 1.00 0.00 H new ATOM 0 HG23 ILE A 79 2.737 6.803 -8.473 1.00 0.00 H new ATOM 0 HD11 ILE A 79 0.176 3.432 -6.069 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -0.122 5.086 -5.483 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -1.045 4.453 -6.867 1.00 0.00 H new ATOM 1352 N GLU A 80 3.033 8.203 -6.320 1.00 0.00 N ATOM 1353 CA GLU A 80 4.378 8.292 -5.754 1.00 0.00 C ATOM 1354 C GLU A 80 4.290 8.636 -4.270 1.00 0.00 C ATOM 1355 O GLU A 80 4.960 8.049 -3.409 1.00 0.00 O ATOM 1356 CB GLU A 80 5.180 9.408 -6.457 1.00 0.00 C ATOM 1357 CG GLU A 80 5.160 9.395 -7.995 1.00 0.00 C ATOM 1358 CD GLU A 80 3.983 10.164 -8.597 1.00 0.00 C ATOM 1359 OE1 GLU A 80 2.832 9.741 -8.446 1.00 0.00 O ATOM 1360 OE2 GLU A 80 4.199 11.230 -9.214 1.00 0.00 O ATOM 0 H GLU A 80 2.892 8.820 -7.120 1.00 0.00 H new ATOM 0 HA GLU A 80 4.874 7.332 -5.895 1.00 0.00 H new ATOM 0 HB2 GLU A 80 4.797 10.370 -6.118 1.00 0.00 H new ATOM 0 HB3 GLU A 80 6.217 9.344 -6.128 1.00 0.00 H new ATOM 0 HG2 GLU A 80 6.091 9.823 -8.366 1.00 0.00 H new ATOM 0 HG3 GLU A 80 5.124 8.362 -8.341 1.00 0.00 H new ATOM 1367 N ASN A 81 3.431 9.580 -4.004 1.00 0.00 N ATOM 1368 CA ASN A 81 3.179 10.081 -2.671 1.00 0.00 C ATOM 1369 C ASN A 81 2.510 9.026 -1.812 1.00 0.00 C ATOM 1370 O ASN A 81 2.922 8.795 -0.666 1.00 0.00 O ATOM 1371 CB ASN A 81 2.315 11.357 -2.723 1.00 0.00 C ATOM 1372 CG ASN A 81 3.018 12.512 -3.407 1.00 0.00 C ATOM 1373 OD1 ASN A 81 3.756 13.264 -2.778 1.00 0.00 O ATOM 1374 ND2 ASN A 81 2.771 12.693 -4.684 1.00 0.00 N ATOM 0 H ASN A 81 2.870 10.037 -4.723 1.00 0.00 H new ATOM 0 HA ASN A 81 4.139 10.330 -2.220 1.00 0.00 H new ATOM 0 HB2 ASN A 81 1.385 11.140 -3.249 1.00 0.00 H new ATOM 0 HB3 ASN A 81 2.046 11.650 -1.708 1.00 0.00 H new ATOM 0 HD21 ASN A 81 3.197 13.476 -5.180 1.00 0.00 H new ATOM 0 HD22 ASN A 81 2.153 12.051 -5.180 1.00 0.00 H new ATOM 1381 N VAL A 82 1.518 8.348 -2.380 1.00 0.00 N ATOM 1382 CA VAL A 82 0.758 7.338 -1.651 1.00 0.00 C ATOM 1383 C VAL A 82 1.645 6.137 -1.337 1.00 0.00 C ATOM 1384 O VAL A 82 1.587 5.599 -0.241 1.00 0.00 O ATOM 1385 CB VAL A 82 -0.504 6.858 -2.420 1.00 0.00 C ATOM 1386 CG1 VAL A 82 -1.378 5.988 -1.528 1.00 0.00 C ATOM 1387 CG2 VAL A 82 -1.302 8.028 -2.947 1.00 0.00 C ATOM 0 H VAL A 82 1.221 8.480 -3.347 1.00 0.00 H new ATOM 0 HA VAL A 82 0.419 7.810 -0.729 1.00 0.00 H new ATOM 0 HB VAL A 82 -0.167 6.264 -3.270 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -2.256 5.662 -2.085 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -0.811 5.116 -1.202 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -1.693 6.562 -0.657 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -2.179 7.660 -3.480 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -1.621 8.656 -2.115 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -0.683 8.614 -3.627 1.00 0.00 H new ATOM 1397 N ASN A 83 2.487 5.756 -2.290 1.00 0.00 N ATOM 1398 CA ASN A 83 3.423 4.632 -2.118 1.00 0.00 C ATOM 1399 C ASN A 83 4.298 4.842 -0.895 1.00 0.00 C ATOM 1400 O ASN A 83 4.457 3.946 -0.058 1.00 0.00 O ATOM 1401 CB ASN A 83 4.309 4.425 -3.368 1.00 0.00 C ATOM 1402 CG ASN A 83 3.546 3.906 -4.572 1.00 0.00 C ATOM 1403 OD1 ASN A 83 2.551 3.214 -4.435 1.00 0.00 O ATOM 1404 ND2 ASN A 83 4.003 4.218 -5.758 1.00 0.00 N ATOM 0 H ASN A 83 2.547 6.209 -3.202 1.00 0.00 H new ATOM 0 HA ASN A 83 2.822 3.734 -1.978 1.00 0.00 H new ATOM 0 HB2 ASN A 83 4.783 5.372 -3.629 1.00 0.00 H new ATOM 0 HB3 ASN A 83 5.108 3.725 -3.125 1.00 0.00 H new ATOM 0 HD21 ASN A 83 3.525 3.881 -6.594 1.00 0.00 H new ATOM 0 HD22 ASN A 83 4.837 4.798 -5.847 1.00 0.00 H new ATOM 1411 N GLN A 84 4.812 6.049 -0.763 1.00 0.00 N ATOM 1412 CA GLN A 84 5.655 6.411 0.361 1.00 0.00 C ATOM 1413 C GLN A 84 4.805 6.338 1.651 1.00 0.00 C ATOM 1414 O GLN A 84 5.246 5.813 2.681 1.00 0.00 O ATOM 1415 CB GLN A 84 6.200 7.836 0.139 1.00 0.00 C ATOM 1416 CG GLN A 84 7.496 8.221 0.892 1.00 0.00 C ATOM 1417 CD GLN A 84 7.412 8.160 2.401 1.00 0.00 C ATOM 1418 OE1 GLN A 84 7.025 9.140 3.052 1.00 0.00 O ATOM 1419 NE2 GLN A 84 7.821 7.051 2.972 1.00 0.00 N ATOM 0 H GLN A 84 4.658 6.805 -1.430 1.00 0.00 H new ATOM 0 HA GLN A 84 6.500 5.729 0.453 1.00 0.00 H new ATOM 0 HB2 GLN A 84 6.377 7.968 -0.928 1.00 0.00 H new ATOM 0 HB3 GLN A 84 5.421 8.544 0.423 1.00 0.00 H new ATOM 0 HG2 GLN A 84 8.297 7.560 0.563 1.00 0.00 H new ATOM 0 HG3 GLN A 84 7.778 9.233 0.601 1.00 0.00 H new ATOM 0 HE21 GLN A 84 8.132 6.267 2.399 1.00 0.00 H new ATOM 0 HE22 GLN A 84 7.828 6.974 3.989 1.00 0.00 H new ATOM 1428 N LEU A 85 3.574 6.822 1.572 1.00 0.00 N ATOM 1429 CA LEU A 85 2.664 6.811 2.716 1.00 0.00 C ATOM 1430 C LEU A 85 2.364 5.387 3.176 1.00 0.00 C ATOM 1431 O LEU A 85 2.382 5.113 4.372 1.00 0.00 O ATOM 1432 CB LEU A 85 1.365 7.563 2.411 1.00 0.00 C ATOM 1433 CG LEU A 85 1.510 9.051 2.086 1.00 0.00 C ATOM 1434 CD1 LEU A 85 0.157 9.670 1.809 1.00 0.00 C ATOM 1435 CD2 LEU A 85 2.215 9.786 3.214 1.00 0.00 C ATOM 0 H LEU A 85 3.178 7.230 0.725 1.00 0.00 H new ATOM 0 HA LEU A 85 3.169 7.331 3.530 1.00 0.00 H new ATOM 0 HB2 LEU A 85 0.875 7.074 1.569 1.00 0.00 H new ATOM 0 HB3 LEU A 85 0.700 7.462 3.269 1.00 0.00 H new ATOM 0 HG LEU A 85 2.121 9.144 1.188 1.00 0.00 H new ATOM 0 HD11 LEU A 85 0.281 10.728 1.580 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -0.306 9.167 0.960 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -0.480 9.561 2.687 1.00 0.00 H new ATOM 0 HD21 LEU A 85 2.306 10.842 2.959 1.00 0.00 H new ATOM 0 HD22 LEU A 85 1.637 9.683 4.133 1.00 0.00 H new ATOM 0 HD23 LEU A 85 3.208 9.361 3.360 1.00 0.00 H new ATOM 1447 N ILE A 86 2.144 4.483 2.230 1.00 0.00 N ATOM 1448 CA ILE A 86 1.858 3.082 2.543 1.00 0.00 C ATOM 1449 C ILE A 86 3.067 2.439 3.234 1.00 0.00 C ATOM 1450 O ILE A 86 2.918 1.689 4.206 1.00 0.00 O ATOM 1451 CB ILE A 86 1.450 2.265 1.276 1.00 0.00 C ATOM 1452 CG1 ILE A 86 0.208 2.884 0.598 1.00 0.00 C ATOM 1453 CG2 ILE A 86 1.193 0.797 1.617 1.00 0.00 C ATOM 1454 CD1 ILE A 86 -1.023 2.996 1.488 1.00 0.00 C ATOM 0 H ILE A 86 2.158 4.694 1.232 1.00 0.00 H new ATOM 0 HA ILE A 86 1.005 3.065 3.221 1.00 0.00 H new ATOM 0 HB ILE A 86 2.285 2.308 0.577 1.00 0.00 H new ATOM 0 HG12 ILE A 86 0.468 3.879 0.237 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -0.047 2.284 -0.276 1.00 0.00 H new ATOM 0 HG21 ILE A 86 0.911 0.257 0.713 1.00 0.00 H new ATOM 0 HG22 ILE A 86 2.098 0.357 2.035 1.00 0.00 H new ATOM 0 HG23 ILE A 86 0.386 0.729 2.347 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -1.841 3.442 0.923 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -1.317 2.003 1.830 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -0.793 3.623 2.350 1.00 0.00 H new ATOM 1466 N LEU A 87 4.261 2.787 2.772 1.00 0.00 N ATOM 1467 CA LEU A 87 5.491 2.306 3.398 1.00 0.00 C ATOM 1468 C LEU A 87 5.583 2.815 4.832 1.00 0.00 C ATOM 1469 O LEU A 87 5.953 2.089 5.743 1.00 0.00 O ATOM 1470 CB LEU A 87 6.722 2.738 2.596 1.00 0.00 C ATOM 1471 CG LEU A 87 6.836 2.162 1.185 1.00 0.00 C ATOM 1472 CD1 LEU A 87 8.094 2.658 0.503 1.00 0.00 C ATOM 1473 CD2 LEU A 87 6.826 0.646 1.230 1.00 0.00 C ATOM 0 H LEU A 87 4.406 3.399 1.969 1.00 0.00 H new ATOM 0 HA LEU A 87 5.465 1.216 3.411 1.00 0.00 H new ATOM 0 HB2 LEU A 87 6.722 3.826 2.524 1.00 0.00 H new ATOM 0 HB3 LEU A 87 7.614 2.456 3.156 1.00 0.00 H new ATOM 0 HG LEU A 87 5.976 2.501 0.608 1.00 0.00 H new ATOM 0 HD11 LEU A 87 8.155 2.236 -0.500 1.00 0.00 H new ATOM 0 HD12 LEU A 87 8.068 3.746 0.438 1.00 0.00 H new ATOM 0 HD13 LEU A 87 8.966 2.350 1.080 1.00 0.00 H new ATOM 0 HD21 LEU A 87 6.908 0.251 0.217 1.00 0.00 H new ATOM 0 HD22 LEU A 87 7.668 0.294 1.826 1.00 0.00 H new ATOM 0 HD23 LEU A 87 5.895 0.301 1.679 1.00 0.00 H new ATOM 1485 N THR A 88 5.181 4.047 5.019 1.00 0.00 N ATOM 1486 CA THR A 88 5.164 4.674 6.323 1.00 0.00 C ATOM 1487 C THR A 88 4.112 3.988 7.230 1.00 0.00 C ATOM 1488 O THR A 88 4.313 3.830 8.438 1.00 0.00 O ATOM 1489 CB THR A 88 4.842 6.178 6.171 1.00 0.00 C ATOM 1490 OG1 THR A 88 5.744 6.756 5.199 1.00 0.00 O ATOM 1491 CG2 THR A 88 5.000 6.916 7.498 1.00 0.00 C ATOM 0 H THR A 88 4.853 4.651 4.266 1.00 0.00 H new ATOM 0 HA THR A 88 6.144 4.565 6.787 1.00 0.00 H new ATOM 0 HB THR A 88 3.807 6.278 5.844 1.00 0.00 H new ATOM 0 HG1 THR A 88 5.490 6.459 4.300 1.00 0.00 H new ATOM 0 HG21 THR A 88 4.766 7.971 7.357 1.00 0.00 H new ATOM 0 HG22 THR A 88 4.320 6.489 8.235 1.00 0.00 H new ATOM 0 HG23 THR A 88 6.027 6.815 7.850 1.00 0.00 H new ATOM 1499 N THR A 89 3.025 3.544 6.609 1.00 0.00 N ATOM 1500 CA THR A 89 1.914 2.904 7.283 1.00 0.00 C ATOM 1501 C THR A 89 2.361 1.629 7.990 1.00 0.00 C ATOM 1502 O THR A 89 1.993 1.393 9.139 1.00 0.00 O ATOM 1503 CB THR A 89 0.795 2.567 6.273 1.00 0.00 C ATOM 1504 OG1 THR A 89 0.426 3.749 5.578 1.00 0.00 O ATOM 1505 CG2 THR A 89 -0.434 2.005 6.969 1.00 0.00 C ATOM 0 H THR A 89 2.894 3.623 5.601 1.00 0.00 H new ATOM 0 HA THR A 89 1.532 3.601 8.029 1.00 0.00 H new ATOM 0 HB THR A 89 1.176 1.813 5.584 1.00 0.00 H new ATOM 0 HG1 THR A 89 -0.430 4.078 5.923 1.00 0.00 H new ATOM 0 HG21 THR A 89 -1.201 1.779 6.228 1.00 0.00 H new ATOM 0 HG22 THR A 89 -0.165 1.093 7.502 1.00 0.00 H new ATOM 0 HG23 THR A 89 -0.819 2.739 7.677 1.00 0.00 H new ATOM 1513 N ILE A 90 3.179 0.848 7.327 1.00 0.00 N ATOM 1514 CA ILE A 90 3.641 -0.406 7.888 1.00 0.00 C ATOM 1515 C ILE A 90 4.873 -0.233 8.755 1.00 0.00 C ATOM 1516 O ILE A 90 5.228 -1.130 9.535 1.00 0.00 O ATOM 1517 CB ILE A 90 3.900 -1.470 6.805 1.00 0.00 C ATOM 1518 CG1 ILE A 90 4.874 -0.943 5.734 1.00 0.00 C ATOM 1519 CG2 ILE A 90 2.585 -1.896 6.190 1.00 0.00 C ATOM 1520 CD1 ILE A 90 5.198 -1.932 4.638 1.00 0.00 C ATOM 0 H ILE A 90 3.541 1.056 6.396 1.00 0.00 H new ATOM 0 HA ILE A 90 2.829 -0.760 8.524 1.00 0.00 H new ATOM 0 HB ILE A 90 4.369 -2.339 7.266 1.00 0.00 H new ATOM 0 HG12 ILE A 90 4.447 -0.047 5.283 1.00 0.00 H new ATOM 0 HG13 ILE A 90 5.802 -0.643 6.221 1.00 0.00 H new ATOM 0 HG21 ILE A 90 2.769 -2.649 5.424 1.00 0.00 H new ATOM 0 HG22 ILE A 90 1.941 -2.315 6.963 1.00 0.00 H new ATOM 0 HG23 ILE A 90 2.097 -1.032 5.740 1.00 0.00 H new ATOM 0 HD11 ILE A 90 5.890 -1.476 3.929 1.00 0.00 H new ATOM 0 HD12 ILE A 90 5.657 -2.820 5.073 1.00 0.00 H new ATOM 0 HD13 ILE A 90 4.281 -2.214 4.120 1.00 0.00 H new ATOM 1532 N LYS A 91 5.527 0.903 8.649 1.00 0.00 N ATOM 1533 CA LYS A 91 6.699 1.135 9.447 1.00 0.00 C ATOM 1534 C LYS A 91 6.371 1.770 10.772 1.00 0.00 C ATOM 1535 O LYS A 91 6.506 2.984 10.947 1.00 0.00 O ATOM 1536 CB LYS A 91 7.798 1.932 8.720 1.00 0.00 C ATOM 1537 CG LYS A 91 8.369 1.221 7.512 1.00 0.00 C ATOM 1538 CD LYS A 91 9.519 1.983 6.819 1.00 0.00 C ATOM 1539 CE LYS A 91 10.816 2.028 7.647 1.00 0.00 C ATOM 1540 NZ LYS A 91 10.856 3.107 8.671 1.00 0.00 N ATOM 0 H LYS A 91 5.268 1.668 8.026 1.00 0.00 H new ATOM 0 HA LYS A 91 7.107 0.142 9.635 1.00 0.00 H new ATOM 0 HB2 LYS A 91 7.390 2.893 8.406 1.00 0.00 H new ATOM 0 HB3 LYS A 91 8.605 2.143 9.421 1.00 0.00 H new ATOM 0 HG2 LYS A 91 8.730 0.239 7.818 1.00 0.00 H new ATOM 0 HG3 LYS A 91 7.570 1.055 6.790 1.00 0.00 H new ATOM 0 HD2 LYS A 91 9.728 1.513 5.858 1.00 0.00 H new ATOM 0 HD3 LYS A 91 9.195 3.003 6.612 1.00 0.00 H new ATOM 0 HE2 LYS A 91 10.948 1.067 8.144 1.00 0.00 H new ATOM 0 HE3 LYS A 91 11.660 2.155 6.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 11.152 2.708 9.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 11.533 3.839 8.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 9.910 3.529 8.768 1.00 0.00 H new ATOM 1554 N LEU A 92 5.859 0.971 11.686 1.00 0.00 N ATOM 1555 CA LEU A 92 5.710 1.411 13.051 1.00 0.00 C ATOM 1556 C LEU A 92 7.073 1.247 13.663 1.00 0.00 C ATOM 1557 O LEU A 92 7.430 0.171 14.158 1.00 0.00 O ATOM 1558 CB LEU A 92 4.646 0.614 13.853 1.00 0.00 C ATOM 1559 CG LEU A 92 3.158 0.793 13.464 1.00 0.00 C ATOM 1560 CD1 LEU A 92 2.831 0.180 12.111 1.00 0.00 C ATOM 1561 CD2 LEU A 92 2.256 0.219 14.541 1.00 0.00 C ATOM 0 H LEU A 92 5.541 0.019 11.506 1.00 0.00 H new ATOM 0 HA LEU A 92 5.350 2.439 13.076 1.00 0.00 H new ATOM 0 HB2 LEU A 92 4.888 -0.445 13.768 1.00 0.00 H new ATOM 0 HB3 LEU A 92 4.751 0.882 14.904 1.00 0.00 H new ATOM 0 HG LEU A 92 2.977 1.864 13.379 1.00 0.00 H new ATOM 0 HD11 LEU A 92 1.775 0.334 11.887 1.00 0.00 H new ATOM 0 HD12 LEU A 92 3.438 0.655 11.340 1.00 0.00 H new ATOM 0 HD13 LEU A 92 3.045 -0.889 12.134 1.00 0.00 H new ATOM 0 HD21 LEU A 92 1.214 0.353 14.252 1.00 0.00 H new ATOM 0 HD22 LEU A 92 2.465 -0.844 14.662 1.00 0.00 H new ATOM 0 HD23 LEU A 92 2.440 0.735 15.483 1.00 0.00 H new ATOM 1573 N GLU A 93 7.862 2.266 13.526 1.00 0.00 N ATOM 1574 CA GLU A 93 9.244 2.196 13.851 1.00 0.00 C ATOM 1575 C GLU A 93 9.644 3.478 14.565 1.00 0.00 C ATOM 1576 O GLU A 93 8.916 4.477 14.483 1.00 0.00 O ATOM 1577 CB GLU A 93 9.989 2.019 12.527 1.00 0.00 C ATOM 1578 CG GLU A 93 11.444 1.649 12.615 1.00 0.00 C ATOM 1579 CD GLU A 93 12.000 1.367 11.249 1.00 0.00 C ATOM 1580 OE1 GLU A 93 11.827 0.235 10.749 1.00 0.00 O ATOM 1581 OE2 GLU A 93 12.585 2.280 10.624 1.00 0.00 O ATOM 0 H GLU A 93 7.558 3.177 13.182 1.00 0.00 H new ATOM 0 HA GLU A 93 9.481 1.367 14.518 1.00 0.00 H new ATOM 0 HB2 GLU A 93 9.477 1.250 11.949 1.00 0.00 H new ATOM 0 HB3 GLU A 93 9.908 2.949 11.964 1.00 0.00 H new ATOM 0 HG2 GLU A 93 12.004 2.460 13.081 1.00 0.00 H new ATOM 0 HG3 GLU A 93 11.564 0.772 13.251 1.00 0.00 H new ATOM 1588 N HIS A 94 10.773 3.435 15.269 1.00 0.00 N ATOM 1589 CA HIS A 94 11.293 4.552 16.061 1.00 0.00 C ATOM 1590 C HIS A 94 10.361 4.839 17.220 1.00 0.00 C ATOM 1591 O HIS A 94 10.033 6.001 17.511 1.00 0.00 O ATOM 1592 CB HIS A 94 11.576 5.839 15.228 1.00 0.00 C ATOM 1593 CG HIS A 94 12.687 5.701 14.227 1.00 0.00 C ATOM 1594 ND1 HIS A 94 13.953 6.248 14.392 1.00 0.00 N ATOM 1595 CD2 HIS A 94 12.713 5.080 13.028 1.00 0.00 C ATOM 1596 CE1 HIS A 94 14.686 5.955 13.334 1.00 0.00 C ATOM 1597 NE2 HIS A 94 13.960 5.254 12.500 1.00 0.00 N ATOM 0 H HIS A 94 11.366 2.606 15.307 1.00 0.00 H new ATOM 0 HA HIS A 94 12.265 4.241 16.443 1.00 0.00 H new ATOM 0 HB2 HIS A 94 10.664 6.125 14.703 1.00 0.00 H new ATOM 0 HB3 HIS A 94 11.819 6.653 15.911 1.00 0.00 H new ATOM 0 HD1 HIS A 94 14.265 6.788 15.199 1.00 0.00 H new ATOM 0 HD2 HIS A 94 11.896 4.543 12.570 1.00 0.00 H new ATOM 0 HE1 HIS A 94 15.715 6.246 13.182 1.00 0.00 H new ATOM 1606 N HIS A 95 9.928 3.757 17.891 1.00 0.00 N ATOM 1607 CA HIS A 95 9.080 3.866 19.090 1.00 0.00 C ATOM 1608 C HIS A 95 9.898 4.503 20.176 1.00 0.00 C ATOM 1609 O HIS A 95 9.386 5.208 21.048 1.00 0.00 O ATOM 1610 CB HIS A 95 8.542 2.505 19.564 1.00 0.00 C ATOM 1611 CG HIS A 95 7.598 1.840 18.608 1.00 0.00 C ATOM 1612 ND1 HIS A 95 6.305 2.248 18.424 1.00 0.00 N ATOM 1613 CD2 HIS A 95 7.769 0.793 17.779 1.00 0.00 C ATOM 1614 CE1 HIS A 95 5.725 1.494 17.533 1.00 0.00 C ATOM 1615 NE2 HIS A 95 6.587 0.599 17.119 1.00 0.00 N ATOM 0 H HIS A 95 10.151 2.798 17.623 1.00 0.00 H new ATOM 0 HA HIS A 95 8.207 4.471 18.844 1.00 0.00 H new ATOM 0 HB2 HIS A 95 9.385 1.838 19.744 1.00 0.00 H new ATOM 0 HB3 HIS A 95 8.035 2.642 20.519 1.00 0.00 H new ATOM 0 HD2 HIS A 95 8.672 0.214 17.658 1.00 0.00 H new ATOM 0 HE1 HIS A 95 4.705 1.591 17.193 1.00 0.00 H new ATOM 0 HE2 HIS A 95 6.407 -0.122 16.421 1.00 0.00 H new ATOM 1624 N HIS A 96 11.166 4.224 20.120 1.00 0.00 N ATOM 1625 CA HIS A 96 12.156 4.891 20.892 1.00 0.00 C ATOM 1626 C HIS A 96 12.472 6.114 20.067 1.00 0.00 C ATOM 1627 O HIS A 96 13.103 5.999 19.014 1.00 0.00 O ATOM 1628 CB HIS A 96 13.391 3.979 21.029 1.00 0.00 C ATOM 1629 CG HIS A 96 14.548 4.536 21.803 1.00 0.00 C ATOM 1630 ND1 HIS A 96 14.646 4.470 23.170 1.00 0.00 N ATOM 1631 CD2 HIS A 96 15.685 5.135 21.380 1.00 0.00 C ATOM 1632 CE1 HIS A 96 15.782 5.002 23.554 1.00 0.00 C ATOM 1633 NE2 HIS A 96 16.435 5.413 22.488 1.00 0.00 N ATOM 0 H HIS A 96 11.547 3.499 19.512 1.00 0.00 H new ATOM 0 HA HIS A 96 11.838 5.144 21.904 1.00 0.00 H new ATOM 0 HB2 HIS A 96 13.078 3.049 21.504 1.00 0.00 H new ATOM 0 HB3 HIS A 96 13.740 3.724 20.028 1.00 0.00 H new ATOM 0 HD2 HIS A 96 15.951 5.353 20.356 1.00 0.00 H new ATOM 0 HE1 HIS A 96 16.124 5.088 24.575 1.00 0.00 H new ATOM 0 HE2 HIS A 96 17.350 5.864 22.489 1.00 0.00 H new ATOM 1642 N HIS A 97 11.945 7.249 20.474 1.00 0.00 N ATOM 1643 CA HIS A 97 12.052 8.473 19.697 1.00 0.00 C ATOM 1644 C HIS A 97 13.458 8.985 19.636 1.00 0.00 C ATOM 1645 O HIS A 97 13.907 9.758 20.474 1.00 0.00 O ATOM 1646 CB HIS A 97 11.089 9.565 20.162 1.00 0.00 C ATOM 1647 CG HIS A 97 9.641 9.224 19.987 1.00 0.00 C ATOM 1648 ND1 HIS A 97 8.788 9.012 21.041 1.00 0.00 N ATOM 1649 CD2 HIS A 97 8.892 9.091 18.871 1.00 0.00 C ATOM 1650 CE1 HIS A 97 7.582 8.763 20.580 1.00 0.00 C ATOM 1651 NE2 HIS A 97 7.620 8.805 19.268 1.00 0.00 N ATOM 0 H HIS A 97 11.431 7.353 21.349 1.00 0.00 H new ATOM 0 HA HIS A 97 11.754 8.201 18.685 1.00 0.00 H new ATOM 0 HB2 HIS A 97 11.276 9.774 21.215 1.00 0.00 H new ATOM 0 HB3 HIS A 97 11.304 10.481 19.612 1.00 0.00 H new ATOM 0 HD2 HIS A 97 9.237 9.192 17.853 1.00 0.00 H new ATOM 0 HE1 HIS A 97 6.707 8.558 21.180 1.00 0.00 H new ATOM 0 HE2 HIS A 97 6.826 8.649 18.647 1.00 0.00 H new ATOM 1660 N HIS A 98 14.156 8.468 18.696 1.00 0.00 N ATOM 1661 CA HIS A 98 15.485 8.832 18.402 1.00 0.00 C ATOM 1662 C HIS A 98 15.545 9.172 16.939 1.00 0.00 C ATOM 1663 O HIS A 98 15.200 8.348 16.082 1.00 0.00 O ATOM 1664 CB HIS A 98 16.438 7.680 18.753 1.00 0.00 C ATOM 1665 CG HIS A 98 17.860 7.887 18.330 1.00 0.00 C ATOM 1666 ND1 HIS A 98 18.468 7.131 17.361 1.00 0.00 N ATOM 1667 CD2 HIS A 98 18.791 8.769 18.751 1.00 0.00 C ATOM 1668 CE1 HIS A 98 19.704 7.538 17.203 1.00 0.00 C ATOM 1669 NE2 HIS A 98 19.925 8.530 18.035 1.00 0.00 N ATOM 0 H HIS A 98 13.794 7.741 18.079 1.00 0.00 H new ATOM 0 HA HIS A 98 15.796 9.694 18.992 1.00 0.00 H new ATOM 0 HB2 HIS A 98 16.414 7.524 19.831 1.00 0.00 H new ATOM 0 HB3 HIS A 98 16.066 6.766 18.290 1.00 0.00 H new ATOM 0 HD2 HIS A 98 18.661 9.523 19.513 1.00 0.00 H new ATOM 0 HE1 HIS A 98 20.420 7.127 16.506 1.00 0.00 H new ATOM 0 HE2 HIS A 98 20.804 9.039 18.130 1.00 0.00 H new ATOM 1678 N HIS A 99 15.879 10.387 16.687 1.00 0.00 N ATOM 1679 CA HIS A 99 16.026 10.931 15.372 1.00 0.00 C ATOM 1680 C HIS A 99 16.941 12.108 15.467 1.00 0.00 C ATOM 1681 O HIS A 99 18.081 12.008 15.020 1.00 0.00 O ATOM 1682 CB HIS A 99 14.661 11.284 14.692 1.00 0.00 C ATOM 1683 CG HIS A 99 13.712 12.143 15.497 1.00 0.00 C ATOM 1684 ND1 HIS A 99 13.404 13.444 15.184 1.00 0.00 N ATOM 1685 CD2 HIS A 99 12.952 11.837 16.574 1.00 0.00 C ATOM 1686 CE1 HIS A 99 12.501 13.892 16.025 1.00 0.00 C ATOM 1687 NE2 HIS A 99 12.212 12.936 16.879 1.00 0.00 N ATOM 1688 OXT HIS A 99 16.572 13.094 16.129 1.00 0.00 O ATOM 0 H HIS A 99 16.068 11.067 17.424 1.00 0.00 H new ATOM 0 HA HIS A 99 16.459 10.175 14.717 1.00 0.00 H new ATOM 0 HB2 HIS A 99 14.869 11.794 13.752 1.00 0.00 H new ATOM 0 HB3 HIS A 99 14.152 10.353 14.444 1.00 0.00 H new ATOM 0 HD2 HIS A 99 12.936 10.892 17.096 1.00 0.00 H new ATOM 0 HE1 HIS A 99 12.068 14.881 16.016 1.00 0.00 H new ATOM 0 HE2 HIS A 99 11.542 13.007 17.645 1.00 0.00 H new TER 1697 HIS A 99