USER MOD reduce.3.24.130724 H: found=0, std=0, add=1204, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 1202 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 8 MET CE :methyl 159:sc= -0.412 (180deg=-1.56) USER MOD Set 1.2: B 82 THR OG1 : rot -20:sc= -2.24! USER MOD Set 2.1: B 34 LYS NZ :NH3+ -128:sc= -1.85 (180deg=-0.00489) USER MOD Set 2.2: B 38 GLN : amide:sc= -4.05! C(o=-5.9!,f=-18!) USER MOD Set 3.1: B 30 LYS NZ :NH3+ -162:sc= -7.2! (180deg=-7.71!) USER MOD Set 3.2: B 31 LYS NZ :NH3+ 146:sc= -1.11 (180deg=0) USER MOD Set 4.1: A 82 THR OG1 : rot -20:sc= -2.24! USER MOD Set 4.2: B 8 MET CE :methyl 158:sc= -0.489 (180deg=-1.62) USER MOD Set 5.1: A 34 LYS NZ :NH3+ -138:sc= -2.16! (180deg=-0.00674) USER MOD Set 5.2: A 38 GLN : amide:sc= -3.49! C(o=-5.6!,f=-18!) USER MOD Set 6.1: A 30 LYS NZ :NH3+ -159:sc= -7.05! (180deg=-7.6!) USER MOD Set 6.2: A 31 LYS NZ :NH3+ 154:sc= -1.14 (180deg=0) USER MOD Single : A 2 SER OG : rot -68:sc= 0.763 USER MOD Single : A 6 THR OG1 : rot 77:sc= 0.272 USER MOD Single : A 10 THR OG1 : rot 74:sc= 0.0365 USER MOD Single : A 13 ASN : amide:sc= -2.79 K(o=-2.8,f=-5.4!) USER MOD Single : A 16 HIS : no HD1:sc= -1.06 K(o=-1.1,f=-2.7!) USER MOD Single : A 18 HIS : no HE2:sc= -0.112 K(o=-0.11,f=-2!) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 SER OG : rot 180:sc= -0.45 USER MOD Single : A 39 THR OG1 : rot 86:sc= -2! USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= -1.42 X(o=-1.4,f=-1.1) USER MOD Single : A 49 LYS NZ :NH3+ 162:sc= -0.405 (180deg=-1.21!) USER MOD Single : A 56 LYS NZ :NH3+ -160:sc=-0.00921 (180deg=-0.547) USER MOD Single : A 58 MET CE :methyl 180:sc= -0.017 (180deg=-0.017) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 GLN : amide:sc= -15.6! C(o=-16!,f=-23!) USER MOD Single : A 74 TYR OH : rot -63:sc= -0.647 USER MOD Single : A 85 CYS SG : rot 180:sc= 0 USER MOD Single : A 86 ASN : amide:sc= -0.141 X(o=-0.14,f=0) USER MOD Single : A 87 ASN :FLIP amide:sc= -2.17! C(o=-4!,f=-2.2!) USER MOD Single : B 2 SER OG : rot -96:sc= 0.712 USER MOD Single : B 6 THR OG1 : rot 77:sc= 0.258 USER MOD Single : B 10 THR OG1 : rot 77:sc= 0.0343 USER MOD Single : B 13 ASN : amide:sc= -2.95 K(o=-3,f=-5.3!) USER MOD Single : B 16 HIS : no HD1:sc= -1.04 K(o=-1,f=-2.7!) USER MOD Single : B 18 HIS : no HE2:sc= -0.124 K(o=-0.12,f=-2!) USER MOD Single : B 19 SER OG : rot 180:sc= 0 USER MOD Single : B 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 29 SER OG : rot 180:sc= -0.448 USER MOD Single : B 39 THR OG1 : rot 71:sc= -1.95! USER MOD Single : B 42 SER OG : rot 180:sc= 0 USER MOD Single : B 48 GLN : amide:sc= -1.43 X(o=-1.4,f=-1.1) USER MOD Single : B 49 LYS NZ :NH3+ 161:sc= -0.384 (180deg=-1.21!) USER MOD Single : B 56 LYS NZ :NH3+ -161:sc= -0.0105 (180deg=-0.571) USER MOD Single : B 58 MET CE :methyl 180:sc= -0.0128 (180deg=-0.0128) USER MOD Single : B 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 72 GLN : amide:sc= -15.2! C(o=-15!,f=-22!) USER MOD Single : B 74 TYR OH : rot -63:sc= -0.673 USER MOD Single : B 85 CYS SG : rot 180:sc= 0 USER MOD Single : B 86 ASN : amide:sc= -0.15 X(o=-0.15,f=0) USER MOD Single : B 87 ASN :FLIP amide:sc= -2.14! C(o=-4.3!,f=-2.1!) USER MOD ----------------------------------------------------------------- ATOM 8 N SER A 2 8.766 -0.281 -11.047 1.00 0.00 N ATOM 9 CA SER A 2 8.149 0.998 -10.714 1.00 0.00 C ATOM 10 C SER A 2 6.648 0.829 -10.503 1.00 0.00 C ATOM 11 O SER A 2 5.865 1.738 -10.779 1.00 0.00 O ATOM 12 CB SER A 2 8.397 2.004 -11.837 1.00 0.00 C ATOM 13 OG SER A 2 9.785 2.304 -11.901 1.00 0.00 O ATOM 0 HA SER A 2 8.595 1.367 -9.791 1.00 0.00 H new ATOM 0 HB2 SER A 2 8.057 1.595 -12.789 1.00 0.00 H new ATOM 0 HB3 SER A 2 7.824 2.914 -11.659 1.00 0.00 H new ATOM 0 HG SER A 2 10.048 2.806 -11.102 1.00 0.00 H new ATOM 19 N GLU A 3 6.253 -0.341 -10.015 1.00 0.00 N ATOM 20 CA GLU A 3 4.843 -0.621 -9.773 1.00 0.00 C ATOM 21 C GLU A 3 4.335 0.162 -8.565 1.00 0.00 C ATOM 22 O GLU A 3 3.147 0.466 -8.468 1.00 0.00 O ATOM 23 CB GLU A 3 4.643 -2.119 -9.531 1.00 0.00 C ATOM 24 CG GLU A 3 4.799 -2.874 -10.854 1.00 0.00 C ATOM 25 CD GLU A 3 3.656 -2.517 -11.797 1.00 0.00 C ATOM 26 OE1 GLU A 3 2.649 -2.024 -11.315 1.00 0.00 O ATOM 27 OE2 GLU A 3 3.804 -2.740 -12.987 1.00 0.00 O ATOM 0 H GLU A 3 6.885 -1.107 -9.780 1.00 0.00 H new ATOM 0 HA GLU A 3 4.277 -0.314 -10.653 1.00 0.00 H new ATOM 0 HB2 GLU A 3 5.371 -2.481 -8.805 1.00 0.00 H new ATOM 0 HB3 GLU A 3 3.654 -2.302 -9.110 1.00 0.00 H new ATOM 0 HG2 GLU A 3 5.754 -2.622 -11.315 1.00 0.00 H new ATOM 0 HG3 GLU A 3 4.807 -3.948 -10.670 1.00 0.00 H new ATOM 34 N LEU A 4 5.240 0.486 -7.649 1.00 0.00 N ATOM 35 CA LEU A 4 4.866 1.235 -6.455 1.00 0.00 C ATOM 36 C LEU A 4 4.616 2.698 -6.806 1.00 0.00 C ATOM 37 O LEU A 4 3.603 3.274 -6.414 1.00 0.00 O ATOM 38 CB LEU A 4 5.965 1.144 -5.386 1.00 0.00 C ATOM 39 CG LEU A 4 6.305 -0.324 -5.084 1.00 0.00 C ATOM 40 CD1 LEU A 4 5.018 -1.117 -4.836 1.00 0.00 C ATOM 41 CD2 LEU A 4 7.075 -0.947 -6.258 1.00 0.00 C ATOM 0 H LEU A 4 6.229 0.245 -7.708 1.00 0.00 H new ATOM 0 HA LEU A 4 3.951 0.798 -6.055 1.00 0.00 H new ATOM 0 HB2 LEU A 4 6.858 1.667 -5.729 1.00 0.00 H new ATOM 0 HB3 LEU A 4 5.635 1.642 -4.474 1.00 0.00 H new ATOM 0 HG LEU A 4 6.930 -0.360 -4.192 1.00 0.00 H new ATOM 0 HD11 LEU A 4 5.267 -2.157 -4.623 1.00 0.00 H new ATOM 0 HD12 LEU A 4 4.485 -0.690 -3.987 1.00 0.00 H new ATOM 0 HD13 LEU A 4 4.385 -1.070 -5.722 1.00 0.00 H new ATOM 0 HD21 LEU A 4 7.309 -1.987 -6.029 1.00 0.00 H new ATOM 0 HD22 LEU A 4 6.463 -0.902 -7.159 1.00 0.00 H new ATOM 0 HD23 LEU A 4 8.000 -0.394 -6.420 1.00 0.00 H new ATOM 53 N GLU A 5 5.542 3.292 -7.553 1.00 0.00 N ATOM 54 CA GLU A 5 5.399 4.689 -7.952 1.00 0.00 C ATOM 55 C GLU A 5 4.029 4.911 -8.586 1.00 0.00 C ATOM 56 O GLU A 5 3.430 5.976 -8.438 1.00 0.00 O ATOM 57 CB GLU A 5 6.517 5.084 -8.935 1.00 0.00 C ATOM 58 CG GLU A 5 7.574 3.978 -8.990 1.00 0.00 C ATOM 59 CD GLU A 5 8.763 4.432 -9.830 1.00 0.00 C ATOM 60 OE1 GLU A 5 8.744 5.564 -10.284 1.00 0.00 O ATOM 61 OE2 GLU A 5 9.674 3.642 -10.008 1.00 0.00 O ATOM 0 H GLU A 5 6.389 2.835 -7.891 1.00 0.00 H new ATOM 0 HA GLU A 5 5.483 5.319 -7.066 1.00 0.00 H new ATOM 0 HB2 GLU A 5 6.099 5.250 -9.928 1.00 0.00 H new ATOM 0 HB3 GLU A 5 6.975 6.022 -8.621 1.00 0.00 H new ATOM 0 HG2 GLU A 5 7.905 3.730 -7.982 1.00 0.00 H new ATOM 0 HG3 GLU A 5 7.142 3.072 -9.416 1.00 0.00 H new ATOM 68 N THR A 6 3.534 3.892 -9.281 1.00 0.00 N ATOM 69 CA THR A 6 2.229 3.982 -9.920 1.00 0.00 C ATOM 70 C THR A 6 1.140 4.085 -8.859 1.00 0.00 C ATOM 71 O THR A 6 0.218 4.892 -8.973 1.00 0.00 O ATOM 72 CB THR A 6 1.984 2.749 -10.792 1.00 0.00 C ATOM 73 OG1 THR A 6 3.104 2.541 -11.641 1.00 0.00 O ATOM 74 CG2 THR A 6 0.730 2.962 -11.641 1.00 0.00 C ATOM 0 H THR A 6 4.013 3.002 -9.415 1.00 0.00 H new ATOM 0 HA THR A 6 2.205 4.872 -10.549 1.00 0.00 H new ATOM 0 HB THR A 6 1.844 1.876 -10.155 1.00 0.00 H new ATOM 0 HG1 THR A 6 3.833 2.136 -11.127 1.00 0.00 H new ATOM 0 HG21 THR A 6 0.557 2.083 -12.262 1.00 0.00 H new ATOM 0 HG22 THR A 6 -0.129 3.120 -10.988 1.00 0.00 H new ATOM 0 HG23 THR A 6 0.867 3.835 -12.279 1.00 0.00 H new ATOM 82 N ALA A 7 1.262 3.263 -7.820 1.00 0.00 N ATOM 83 CA ALA A 7 0.291 3.271 -6.733 1.00 0.00 C ATOM 84 C ALA A 7 0.458 4.527 -5.885 1.00 0.00 C ATOM 85 O ALA A 7 -0.520 5.099 -5.405 1.00 0.00 O ATOM 86 CB ALA A 7 0.475 2.031 -5.855 1.00 0.00 C ATOM 0 H ALA A 7 2.019 2.588 -7.709 1.00 0.00 H new ATOM 0 HA ALA A 7 -0.711 3.262 -7.162 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -0.255 2.047 -5.046 1.00 0.00 H new ATOM 0 HB2 ALA A 7 0.330 1.134 -6.457 1.00 0.00 H new ATOM 0 HB3 ALA A 7 1.481 2.028 -5.436 1.00 0.00 H new ATOM 92 N MET A 8 1.706 4.953 -5.709 1.00 0.00 N ATOM 93 CA MET A 8 1.990 6.146 -4.919 1.00 0.00 C ATOM 94 C MET A 8 1.147 7.320 -5.406 1.00 0.00 C ATOM 95 O MET A 8 0.606 8.082 -4.604 1.00 0.00 O ATOM 96 CB MET A 8 3.476 6.502 -5.028 1.00 0.00 C ATOM 97 CG MET A 8 4.309 5.496 -4.229 1.00 0.00 C ATOM 98 SD MET A 8 6.069 5.770 -4.557 1.00 0.00 S ATOM 99 CE MET A 8 6.491 6.536 -2.971 1.00 0.00 C ATOM 0 H MET A 8 2.529 4.494 -6.099 1.00 0.00 H new ATOM 0 HA MET A 8 1.741 5.940 -3.878 1.00 0.00 H new ATOM 0 HB2 MET A 8 3.785 6.496 -6.073 1.00 0.00 H new ATOM 0 HB3 MET A 8 3.647 7.510 -4.651 1.00 0.00 H new ATOM 0 HG2 MET A 8 4.106 5.605 -3.164 1.00 0.00 H new ATOM 0 HG3 MET A 8 4.031 4.478 -4.504 1.00 0.00 H new ATOM 0 HE1 MET A 8 7.564 6.451 -2.800 1.00 0.00 H new ATOM 0 HE2 MET A 8 6.209 7.589 -2.989 1.00 0.00 H new ATOM 0 HE3 MET A 8 5.954 6.030 -2.168 1.00 0.00 H new ATOM 109 N GLU A 9 1.039 7.459 -6.724 1.00 0.00 N ATOM 110 CA GLU A 9 0.260 8.545 -7.309 1.00 0.00 C ATOM 111 C GLU A 9 -1.236 8.298 -7.122 1.00 0.00 C ATOM 112 O GLU A 9 -2.000 9.229 -6.871 1.00 0.00 O ATOM 113 CB GLU A 9 0.574 8.667 -8.801 1.00 0.00 C ATOM 114 CG GLU A 9 2.021 9.130 -8.981 1.00 0.00 C ATOM 115 CD GLU A 9 2.316 9.358 -10.459 1.00 0.00 C ATOM 116 OE1 GLU A 9 2.490 8.380 -11.167 1.00 0.00 O ATOM 117 OE2 GLU A 9 2.362 10.509 -10.863 1.00 0.00 O ATOM 0 H GLU A 9 1.478 6.838 -7.403 1.00 0.00 H new ATOM 0 HA GLU A 9 0.529 9.472 -6.802 1.00 0.00 H new ATOM 0 HB2 GLU A 9 0.424 7.707 -9.295 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -0.107 9.377 -9.270 1.00 0.00 H new ATOM 0 HG2 GLU A 9 2.189 10.051 -8.422 1.00 0.00 H new ATOM 0 HG3 GLU A 9 2.704 8.383 -8.577 1.00 0.00 H new ATOM 124 N THR A 10 -1.645 7.040 -7.248 1.00 0.00 N ATOM 125 CA THR A 10 -3.052 6.685 -7.093 1.00 0.00 C ATOM 126 C THR A 10 -3.592 7.193 -5.760 1.00 0.00 C ATOM 127 O THR A 10 -4.688 7.751 -5.694 1.00 0.00 O ATOM 128 CB THR A 10 -3.218 5.165 -7.166 1.00 0.00 C ATOM 129 OG1 THR A 10 -3.018 4.733 -8.506 1.00 0.00 O ATOM 130 CG2 THR A 10 -4.624 4.772 -6.706 1.00 0.00 C ATOM 0 H THR A 10 -1.028 6.254 -7.455 1.00 0.00 H new ATOM 0 HA THR A 10 -3.615 7.153 -7.901 1.00 0.00 H new ATOM 0 HB THR A 10 -2.484 4.691 -6.515 1.00 0.00 H new ATOM 0 HG1 THR A 10 -2.063 4.772 -8.723 1.00 0.00 H new ATOM 0 HG21 THR A 10 -4.735 3.689 -6.761 1.00 0.00 H new ATOM 0 HG22 THR A 10 -4.776 5.101 -5.678 1.00 0.00 H new ATOM 0 HG23 THR A 10 -5.364 5.246 -7.351 1.00 0.00 H new ATOM 138 N LEU A 11 -2.819 6.990 -4.701 1.00 0.00 N ATOM 139 CA LEU A 11 -3.231 7.425 -3.372 1.00 0.00 C ATOM 140 C LEU A 11 -3.159 8.945 -3.254 1.00 0.00 C ATOM 141 O LEU A 11 -3.999 9.568 -2.605 1.00 0.00 O ATOM 142 CB LEU A 11 -2.327 6.785 -2.314 1.00 0.00 C ATOM 143 CG LEU A 11 -2.219 5.280 -2.574 1.00 0.00 C ATOM 144 CD1 LEU A 11 -1.148 4.676 -1.660 1.00 0.00 C ATOM 145 CD2 LEU A 11 -3.571 4.613 -2.295 1.00 0.00 C ATOM 0 H LEU A 11 -1.909 6.530 -4.735 1.00 0.00 H new ATOM 0 HA LEU A 11 -4.262 7.111 -3.211 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -1.337 7.241 -2.342 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -2.732 6.964 -1.318 1.00 0.00 H new ATOM 0 HG LEU A 11 -1.941 5.111 -3.614 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -1.073 3.605 -1.846 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -0.187 5.148 -1.864 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -1.421 4.845 -0.618 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -3.493 3.542 -2.480 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -3.852 4.782 -1.256 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -4.330 5.040 -2.950 1.00 0.00 H new ATOM 157 N ILE A 12 -2.151 9.536 -3.886 1.00 0.00 N ATOM 158 CA ILE A 12 -1.979 10.983 -3.844 1.00 0.00 C ATOM 159 C ILE A 12 -3.008 11.677 -4.734 1.00 0.00 C ATOM 160 O ILE A 12 -3.457 12.783 -4.433 1.00 0.00 O ATOM 161 CB ILE A 12 -0.571 11.355 -4.309 1.00 0.00 C ATOM 162 CG1 ILE A 12 0.457 10.781 -3.330 1.00 0.00 C ATOM 163 CG2 ILE A 12 -0.434 12.878 -4.355 1.00 0.00 C ATOM 164 CD1 ILE A 12 1.845 10.809 -3.973 1.00 0.00 C ATOM 0 H ILE A 12 -1.445 9.039 -4.430 1.00 0.00 H new ATOM 0 HA ILE A 12 -2.124 11.314 -2.816 1.00 0.00 H new ATOM 0 HB ILE A 12 -0.397 10.944 -5.303 1.00 0.00 H new ATOM 0 HG12 ILE A 12 0.460 11.362 -2.408 1.00 0.00 H new ATOM 0 HG13 ILE A 12 0.189 9.759 -3.062 1.00 0.00 H new ATOM 0 HG21 ILE A 12 0.570 13.143 -4.687 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -1.166 13.288 -5.051 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -0.608 13.289 -3.361 1.00 0.00 H new ATOM 0 HD11 ILE A 12 2.577 10.400 -3.276 1.00 0.00 H new ATOM 0 HD12 ILE A 12 1.836 10.210 -4.883 1.00 0.00 H new ATOM 0 HD13 ILE A 12 2.112 11.837 -4.218 1.00 0.00 H new ATOM 176 N ASN A 13 -3.369 11.024 -5.834 1.00 0.00 N ATOM 177 CA ASN A 13 -4.338 11.591 -6.766 1.00 0.00 C ATOM 178 C ASN A 13 -5.742 11.581 -6.169 1.00 0.00 C ATOM 179 O ASN A 13 -6.386 12.624 -6.059 1.00 0.00 O ATOM 180 CB ASN A 13 -4.333 10.793 -8.071 1.00 0.00 C ATOM 181 CG ASN A 13 -2.979 10.929 -8.760 1.00 0.00 C ATOM 182 OD1 ASN A 13 -2.432 9.945 -9.256 1.00 0.00 O ATOM 183 ND2 ASN A 13 -2.402 12.099 -8.819 1.00 0.00 N ATOM 0 H ASN A 13 -3.008 10.108 -6.101 1.00 0.00 H new ATOM 0 HA ASN A 13 -4.053 12.624 -6.965 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -4.542 9.743 -7.866 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -5.123 11.153 -8.730 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -1.496 12.198 -9.277 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -2.857 12.914 -8.407 1.00 0.00 H new ATOM 190 N VAL A 14 -6.214 10.398 -5.789 1.00 0.00 N ATOM 191 CA VAL A 14 -7.547 10.270 -5.209 1.00 0.00 C ATOM 192 C VAL A 14 -7.721 11.243 -4.047 1.00 0.00 C ATOM 193 O VAL A 14 -8.801 11.802 -3.850 1.00 0.00 O ATOM 194 CB VAL A 14 -7.771 8.839 -4.719 1.00 0.00 C ATOM 195 CG1 VAL A 14 -6.892 8.574 -3.497 1.00 0.00 C ATOM 196 CG2 VAL A 14 -9.242 8.657 -4.337 1.00 0.00 C ATOM 0 H VAL A 14 -5.699 9.521 -5.871 1.00 0.00 H new ATOM 0 HA VAL A 14 -8.281 10.507 -5.979 1.00 0.00 H new ATOM 0 HB VAL A 14 -7.510 8.138 -5.512 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -7.052 7.554 -3.148 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -5.844 8.705 -3.767 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -7.152 9.274 -2.703 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -9.404 7.637 -3.987 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -9.501 9.358 -3.544 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -9.870 8.846 -5.208 1.00 0.00 H new ATOM 206 N PHE A 15 -6.653 11.441 -3.282 1.00 0.00 N ATOM 207 CA PHE A 15 -6.701 12.350 -2.143 1.00 0.00 C ATOM 208 C PHE A 15 -6.756 13.799 -2.617 1.00 0.00 C ATOM 209 O PHE A 15 -7.499 14.614 -2.070 1.00 0.00 O ATOM 210 CB PHE A 15 -5.471 12.147 -1.259 1.00 0.00 C ATOM 211 CG PHE A 15 -5.413 13.236 -0.216 1.00 0.00 C ATOM 212 CD1 PHE A 15 -6.187 13.136 0.946 1.00 0.00 C ATOM 213 CD2 PHE A 15 -4.586 14.350 -0.413 1.00 0.00 C ATOM 214 CE1 PHE A 15 -6.133 14.147 1.912 1.00 0.00 C ATOM 215 CE2 PHE A 15 -4.532 15.361 0.554 1.00 0.00 C ATOM 216 CZ PHE A 15 -5.306 15.259 1.717 1.00 0.00 C ATOM 0 H PHE A 15 -5.751 10.988 -3.428 1.00 0.00 H new ATOM 0 HA PHE A 15 -7.600 12.133 -1.567 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -5.514 11.170 -0.777 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -4.567 12.163 -1.867 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -6.826 12.278 1.097 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -3.990 14.429 -1.311 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -6.730 14.069 2.809 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -3.894 16.219 0.403 1.00 0.00 H new ATOM 0 HZ PHE A 15 -5.265 16.039 2.463 1.00 0.00 H new ATOM 226 N HIS A 16 -5.964 14.111 -3.636 1.00 0.00 N ATOM 227 CA HIS A 16 -5.930 15.465 -4.177 1.00 0.00 C ATOM 228 C HIS A 16 -7.312 15.882 -4.665 1.00 0.00 C ATOM 229 O HIS A 16 -7.706 17.040 -4.530 1.00 0.00 O ATOM 230 CB HIS A 16 -4.934 15.538 -5.336 1.00 0.00 C ATOM 231 CG HIS A 16 -4.955 16.920 -5.929 1.00 0.00 C ATOM 232 ND1 HIS A 16 -5.977 17.352 -6.758 1.00 0.00 N ATOM 233 CD2 HIS A 16 -4.086 17.977 -5.822 1.00 0.00 C ATOM 234 CE1 HIS A 16 -5.702 18.620 -7.115 1.00 0.00 C ATOM 235 NE2 HIS A 16 -4.560 19.050 -6.572 1.00 0.00 N ATOM 0 H HIS A 16 -5.341 13.451 -4.102 1.00 0.00 H new ATOM 0 HA HIS A 16 -5.617 16.145 -3.385 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -3.931 15.297 -4.983 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -5.190 14.800 -6.097 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -3.174 17.976 -5.244 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -6.328 19.217 -7.762 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -4.128 19.967 -6.683 1.00 0.00 H new ATOM 243 N ALA A 17 -8.045 14.930 -5.233 1.00 0.00 N ATOM 244 CA ALA A 17 -9.384 15.210 -5.739 1.00 0.00 C ATOM 245 C ALA A 17 -10.268 15.775 -4.633 1.00 0.00 C ATOM 246 O ALA A 17 -11.107 16.642 -4.878 1.00 0.00 O ATOM 247 CB ALA A 17 -10.012 13.928 -6.292 1.00 0.00 C ATOM 0 H ALA A 17 -7.738 13.965 -5.354 1.00 0.00 H new ATOM 0 HA ALA A 17 -9.303 15.949 -6.536 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -11.012 14.145 -6.668 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -9.395 13.541 -7.103 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -10.077 13.183 -5.499 1.00 0.00 H new ATOM 253 N HIS A 18 -10.075 15.279 -3.415 1.00 0.00 N ATOM 254 CA HIS A 18 -10.862 15.743 -2.279 1.00 0.00 C ATOM 255 C HIS A 18 -10.406 17.133 -1.844 1.00 0.00 C ATOM 256 O HIS A 18 -10.778 18.137 -2.451 1.00 0.00 O ATOM 257 CB HIS A 18 -10.716 14.768 -1.110 1.00 0.00 C ATOM 258 CG HIS A 18 -11.579 13.560 -1.355 1.00 0.00 C ATOM 259 ND1 HIS A 18 -12.929 13.664 -1.650 1.00 0.00 N ATOM 260 CD2 HIS A 18 -11.298 12.216 -1.352 1.00 0.00 C ATOM 261 CE1 HIS A 18 -13.406 12.416 -1.811 1.00 0.00 C ATOM 262 NE2 HIS A 18 -12.453 11.496 -1.641 1.00 0.00 N ATOM 0 H HIS A 18 -9.386 14.561 -3.191 1.00 0.00 H new ATOM 0 HA HIS A 18 -11.908 15.794 -2.582 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -9.674 14.468 -1.001 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -11.007 15.254 -0.179 1.00 0.00 H new ATOM 0 HD1 HIS A 18 -13.464 14.529 -1.730 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -10.328 11.784 -1.155 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -14.434 12.186 -2.049 1.00 0.00 H new ATOM 270 N SER A 19 -9.598 17.183 -0.789 1.00 0.00 N ATOM 271 CA SER A 19 -9.092 18.455 -0.276 1.00 0.00 C ATOM 272 C SER A 19 -7.567 18.481 -0.322 1.00 0.00 C ATOM 273 O SER A 19 -6.908 17.510 0.047 1.00 0.00 O ATOM 274 CB SER A 19 -9.562 18.660 1.164 1.00 0.00 C ATOM 275 OG SER A 19 -10.980 18.565 1.212 1.00 0.00 O ATOM 0 H SER A 19 -9.280 16.362 -0.274 1.00 0.00 H new ATOM 0 HA SER A 19 -9.478 19.259 -0.903 1.00 0.00 H new ATOM 0 HB2 SER A 19 -9.113 17.910 1.816 1.00 0.00 H new ATOM 0 HB3 SER A 19 -9.238 19.635 1.529 1.00 0.00 H new ATOM 0 HG SER A 19 -11.285 18.694 2.134 1.00 0.00 H new ATOM 281 N GLY A 20 -7.013 19.602 -0.778 1.00 0.00 N ATOM 282 CA GLY A 20 -5.562 19.750 -0.870 1.00 0.00 C ATOM 283 C GLY A 20 -5.065 20.836 0.078 1.00 0.00 C ATOM 284 O GLY A 20 -4.072 20.651 0.782 1.00 0.00 O ATOM 0 H GLY A 20 -7.543 20.417 -1.088 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -5.080 18.803 -0.629 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -5.282 19.999 -1.894 1.00 0.00 H new ATOM 288 N LYS A 21 -5.762 21.967 0.089 1.00 0.00 N ATOM 289 CA LYS A 21 -5.385 23.079 0.955 1.00 0.00 C ATOM 290 C LYS A 21 -6.190 23.045 2.248 1.00 0.00 C ATOM 291 O LYS A 21 -6.478 24.087 2.839 1.00 0.00 O ATOM 292 CB LYS A 21 -5.626 24.405 0.236 1.00 0.00 C ATOM 293 CG LYS A 21 -4.759 25.496 0.866 1.00 0.00 C ATOM 294 CD LYS A 21 -5.042 26.833 0.178 1.00 0.00 C ATOM 295 CE LYS A 21 -4.017 27.872 0.638 1.00 0.00 C ATOM 296 NZ LYS A 21 -4.155 29.104 -0.189 1.00 0.00 N ATOM 0 H LYS A 21 -6.586 22.138 -0.488 1.00 0.00 H new ATOM 0 HA LYS A 21 -4.326 22.985 1.197 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -5.389 24.304 -0.823 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -6.679 24.680 0.302 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -4.970 25.572 1.933 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -3.704 25.240 0.767 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -4.994 26.714 -0.904 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -6.050 27.171 0.417 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -4.170 28.109 1.691 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -3.008 27.470 0.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -3.459 29.811 0.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -3.988 28.871 -1.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -5.114 29.491 -0.079 1.00 0.00 H new ATOM 409 N LEU A 28 -9.943 13.155 8.526 1.00 0.00 N ATOM 410 CA LEU A 28 -10.966 12.520 7.698 1.00 0.00 C ATOM 411 C LEU A 28 -11.940 11.724 8.565 1.00 0.00 C ATOM 412 O LEU A 28 -11.558 10.740 9.197 1.00 0.00 O ATOM 413 CB LEU A 28 -10.308 11.579 6.684 1.00 0.00 C ATOM 414 CG LEU A 28 -9.625 12.395 5.579 1.00 0.00 C ATOM 415 CD1 LEU A 28 -8.453 11.599 5.003 1.00 0.00 C ATOM 416 CD2 LEU A 28 -10.630 12.693 4.462 1.00 0.00 C ATOM 0 HA LEU A 28 -11.515 13.301 7.172 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -9.576 10.945 7.185 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -11.058 10.918 6.249 1.00 0.00 H new ATOM 0 HG LEU A 28 -9.259 13.332 6.000 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -7.969 12.180 4.218 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -7.733 11.387 5.794 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -8.820 10.661 4.586 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -10.142 13.273 3.679 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -10.998 11.756 4.044 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -11.466 13.263 4.867 1.00 0.00 H new ATOM 428 N SER A 29 -13.197 12.152 8.587 1.00 0.00 N ATOM 429 CA SER A 29 -14.214 11.466 9.380 1.00 0.00 C ATOM 430 C SER A 29 -14.552 10.113 8.758 1.00 0.00 C ATOM 431 O SER A 29 -14.177 9.834 7.619 1.00 0.00 O ATOM 432 CB SER A 29 -15.478 12.321 9.463 1.00 0.00 C ATOM 433 OG SER A 29 -16.543 11.536 9.982 1.00 0.00 O ATOM 0 H SER A 29 -13.536 12.963 8.070 1.00 0.00 H new ATOM 0 HA SER A 29 -13.820 11.306 10.383 1.00 0.00 H new ATOM 0 HB2 SER A 29 -15.304 13.187 10.102 1.00 0.00 H new ATOM 0 HB3 SER A 29 -15.739 12.701 8.475 1.00 0.00 H new ATOM 0 HG SER A 29 -17.355 12.082 10.038 1.00 0.00 H new ATOM 439 N LYS A 30 -15.259 9.275 9.512 1.00 0.00 N ATOM 440 CA LYS A 30 -15.631 7.953 9.016 1.00 0.00 C ATOM 441 C LYS A 30 -16.277 8.050 7.633 1.00 0.00 C ATOM 442 O LYS A 30 -15.928 7.299 6.722 1.00 0.00 O ATOM 443 CB LYS A 30 -16.600 7.276 9.997 1.00 0.00 C ATOM 444 CG LYS A 30 -18.032 7.789 9.779 1.00 0.00 C ATOM 445 CD LYS A 30 -18.945 7.274 10.899 1.00 0.00 C ATOM 446 CE LYS A 30 -20.377 7.136 10.379 1.00 0.00 C ATOM 447 NZ LYS A 30 -20.637 8.185 9.353 1.00 0.00 N ATOM 0 H LYS A 30 -15.582 9.484 10.457 1.00 0.00 H new ATOM 0 HA LYS A 30 -14.725 7.353 8.932 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -16.570 6.195 9.860 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -16.288 7.476 11.022 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -18.039 8.879 9.764 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -18.405 7.454 8.811 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -18.585 6.310 11.260 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -18.920 7.961 11.745 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -20.525 6.146 9.948 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -21.085 7.234 11.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -21.662 8.332 9.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -20.185 9.075 9.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -20.245 7.881 8.439 1.00 0.00 H new ATOM 461 N LYS A 31 -17.227 8.968 7.489 1.00 0.00 N ATOM 462 CA LYS A 31 -17.924 9.143 6.218 1.00 0.00 C ATOM 463 C LYS A 31 -16.942 9.412 5.084 1.00 0.00 C ATOM 464 O LYS A 31 -17.002 8.774 4.032 1.00 0.00 O ATOM 465 CB LYS A 31 -18.905 10.313 6.319 1.00 0.00 C ATOM 466 CG LYS A 31 -19.942 10.024 7.404 1.00 0.00 C ATOM 467 CD LYS A 31 -20.965 11.161 7.448 1.00 0.00 C ATOM 468 CE LYS A 31 -21.887 10.973 8.654 1.00 0.00 C ATOM 469 NZ LYS A 31 -22.882 9.904 8.357 1.00 0.00 N ATOM 0 H LYS A 31 -17.531 9.599 8.231 1.00 0.00 H new ATOM 0 HA LYS A 31 -18.464 8.221 6.002 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -18.367 11.232 6.552 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -19.401 10.468 5.361 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -20.443 9.078 7.200 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -19.452 9.924 8.373 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -20.454 12.122 7.514 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -21.550 11.174 6.528 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -21.302 10.706 9.534 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -22.399 11.908 8.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -23.200 9.469 9.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -23.698 10.317 7.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -22.443 9.179 7.755 1.00 0.00 H new ATOM 483 N GLU A 32 -16.051 10.370 5.297 1.00 0.00 N ATOM 484 CA GLU A 32 -15.071 10.733 4.281 1.00 0.00 C ATOM 485 C GLU A 32 -14.369 9.503 3.709 1.00 0.00 C ATOM 486 O GLU A 32 -14.372 9.291 2.498 1.00 0.00 O ATOM 487 CB GLU A 32 -14.036 11.688 4.877 1.00 0.00 C ATOM 488 CG GLU A 32 -14.649 13.086 4.999 1.00 0.00 C ATOM 489 CD GLU A 32 -13.739 13.990 5.823 1.00 0.00 C ATOM 490 OE1 GLU A 32 -13.734 13.848 7.034 1.00 0.00 O ATOM 491 OE2 GLU A 32 -13.060 14.813 5.230 1.00 0.00 O ATOM 0 H GLU A 32 -15.986 10.909 6.161 1.00 0.00 H new ATOM 0 HA GLU A 32 -15.602 11.225 3.466 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -13.717 11.332 5.856 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -13.149 11.721 4.245 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -14.797 13.514 4.007 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -15.631 13.021 5.468 1.00 0.00 H new ATOM 498 N LEU A 33 -13.757 8.702 4.577 1.00 0.00 N ATOM 499 CA LEU A 33 -13.045 7.510 4.123 1.00 0.00 C ATOM 500 C LEU A 33 -14.012 6.466 3.567 1.00 0.00 C ATOM 501 O LEU A 33 -13.875 6.033 2.422 1.00 0.00 O ATOM 502 CB LEU A 33 -12.243 6.900 5.277 1.00 0.00 C ATOM 503 CG LEU A 33 -11.039 6.135 4.718 1.00 0.00 C ATOM 504 CD1 LEU A 33 -10.203 5.570 5.870 1.00 0.00 C ATOM 505 CD2 LEU A 33 -11.533 4.986 3.834 1.00 0.00 C ATOM 0 H LEU A 33 -13.739 8.853 5.586 1.00 0.00 H new ATOM 0 HA LEU A 33 -12.366 7.812 3.326 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -11.906 7.685 5.954 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -12.875 6.229 5.858 1.00 0.00 H new ATOM 0 HG LEU A 33 -10.423 6.813 4.127 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -9.348 5.027 5.467 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -9.850 6.388 6.499 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -10.815 4.893 6.466 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -10.678 4.440 3.435 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -12.150 4.311 4.426 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -12.123 5.388 3.010 1.00 0.00 H new ATOM 517 N LYS A 34 -14.984 6.061 4.377 1.00 0.00 N ATOM 518 CA LYS A 34 -15.956 5.063 3.945 1.00 0.00 C ATOM 519 C LYS A 34 -16.546 5.441 2.588 1.00 0.00 C ATOM 520 O LYS A 34 -16.623 4.615 1.678 1.00 0.00 O ATOM 521 CB LYS A 34 -17.077 4.955 4.979 1.00 0.00 C ATOM 522 CG LYS A 34 -18.107 3.925 4.518 1.00 0.00 C ATOM 523 CD LYS A 34 -19.193 3.791 5.585 1.00 0.00 C ATOM 524 CE LYS A 34 -20.075 2.585 5.266 1.00 0.00 C ATOM 525 NZ LYS A 34 -20.949 2.902 4.100 1.00 0.00 N ATOM 0 H LYS A 34 -15.120 6.404 5.328 1.00 0.00 H new ATOM 0 HA LYS A 34 -15.450 4.102 3.851 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -16.666 4.665 5.946 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -17.555 5.925 5.114 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -18.548 4.232 3.570 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -17.626 2.962 4.348 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -18.739 3.673 6.569 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -19.797 4.698 5.620 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -19.455 1.716 5.044 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -20.685 2.328 6.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -21.908 2.540 4.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -20.987 3.932 3.965 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -20.562 2.455 3.244 1.00 0.00 H new ATOM 539 N GLU A 35 -16.963 6.695 2.468 1.00 0.00 N ATOM 540 CA GLU A 35 -17.552 7.192 1.228 1.00 0.00 C ATOM 541 C GLU A 35 -16.514 7.255 0.110 1.00 0.00 C ATOM 542 O GLU A 35 -16.846 7.090 -1.063 1.00 0.00 O ATOM 543 CB GLU A 35 -18.145 8.585 1.453 1.00 0.00 C ATOM 544 CG GLU A 35 -19.280 8.497 2.475 1.00 0.00 C ATOM 545 CD GLU A 35 -20.529 7.919 1.819 1.00 0.00 C ATOM 546 OE1 GLU A 35 -20.613 7.969 0.603 1.00 0.00 O ATOM 547 OE2 GLU A 35 -21.384 7.434 2.543 1.00 0.00 O ATOM 0 H GLU A 35 -16.905 7.388 3.214 1.00 0.00 H new ATOM 0 HA GLU A 35 -18.340 6.500 0.929 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -17.373 9.267 1.809 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -18.519 8.989 0.512 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -18.977 7.871 3.314 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -19.496 9.487 2.877 1.00 0.00 H new ATOM 554 N LEU A 36 -15.265 7.521 0.478 1.00 0.00 N ATOM 555 CA LEU A 36 -14.195 7.636 -0.510 1.00 0.00 C ATOM 556 C LEU A 36 -14.197 6.454 -1.474 1.00 0.00 C ATOM 557 O LEU A 36 -14.282 6.641 -2.687 1.00 0.00 O ATOM 558 CB LEU A 36 -12.837 7.699 0.203 1.00 0.00 C ATOM 559 CG LEU A 36 -11.730 8.093 -0.791 1.00 0.00 C ATOM 560 CD1 LEU A 36 -10.574 8.739 -0.030 1.00 0.00 C ATOM 561 CD2 LEU A 36 -11.202 6.861 -1.539 1.00 0.00 C ATOM 0 H LEU A 36 -14.969 7.660 1.444 1.00 0.00 H new ATOM 0 HA LEU A 36 -14.364 8.549 -1.081 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -12.879 8.423 1.017 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -12.607 6.731 0.649 1.00 0.00 H new ATOM 0 HG LEU A 36 -12.150 8.793 -1.514 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -9.788 9.019 -0.731 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -10.932 9.629 0.489 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -10.176 8.031 0.697 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -10.421 7.165 -2.235 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -10.792 6.149 -0.823 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -12.017 6.393 -2.090 1.00 0.00 H new ATOM 573 N LEU A 37 -14.080 5.244 -0.944 1.00 0.00 N ATOM 574 CA LEU A 37 -14.047 4.063 -1.798 1.00 0.00 C ATOM 575 C LEU A 37 -15.426 3.773 -2.385 1.00 0.00 C ATOM 576 O LEU A 37 -15.573 3.620 -3.596 1.00 0.00 O ATOM 577 CB LEU A 37 -13.540 2.831 -1.027 1.00 0.00 C ATOM 578 CG LEU A 37 -12.671 3.261 0.173 1.00 0.00 C ATOM 579 CD1 LEU A 37 -13.511 3.255 1.454 1.00 0.00 C ATOM 580 CD2 LEU A 37 -11.504 2.284 0.333 1.00 0.00 C ATOM 0 H LEU A 37 -14.007 5.055 0.056 1.00 0.00 H new ATOM 0 HA LEU A 37 -13.354 4.272 -2.613 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -14.387 2.241 -0.677 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -12.960 2.192 -1.693 1.00 0.00 H new ATOM 0 HG LEU A 37 -12.290 4.267 -0.005 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -12.891 3.560 2.297 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -14.344 3.950 1.346 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -13.897 2.251 1.631 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -10.889 2.587 1.181 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -11.891 1.280 0.506 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -10.899 2.288 -0.574 1.00 0.00 H new ATOM 592 N GLN A 38 -16.430 3.692 -1.522 1.00 0.00 N ATOM 593 CA GLN A 38 -17.786 3.408 -1.975 1.00 0.00 C ATOM 594 C GLN A 38 -18.161 4.305 -3.143 1.00 0.00 C ATOM 595 O GLN A 38 -18.705 3.841 -4.142 1.00 0.00 O ATOM 596 CB GLN A 38 -18.769 3.617 -0.828 1.00 0.00 C ATOM 597 CG GLN A 38 -18.484 2.582 0.256 1.00 0.00 C ATOM 598 CD GLN A 38 -19.402 2.809 1.452 1.00 0.00 C ATOM 599 OE1 GLN A 38 -19.352 2.056 2.424 1.00 0.00 O ATOM 600 NE2 GLN A 38 -20.242 3.808 1.438 1.00 0.00 N ATOM 0 H GLN A 38 -16.334 3.817 -0.514 1.00 0.00 H new ATOM 0 HA GLN A 38 -17.830 2.370 -2.306 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -18.669 4.624 -0.424 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -19.794 3.517 -1.186 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -18.633 1.578 -0.141 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -17.442 2.650 0.569 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -20.281 4.430 0.631 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -20.859 3.966 2.234 1.00 0.00 H new ATOM 609 N THR A 39 -17.856 5.588 -3.025 1.00 0.00 N ATOM 610 CA THR A 39 -18.159 6.522 -4.095 1.00 0.00 C ATOM 611 C THR A 39 -17.344 6.164 -5.335 1.00 0.00 C ATOM 612 O THR A 39 -17.769 6.407 -6.464 1.00 0.00 O ATOM 613 CB THR A 39 -17.851 7.952 -3.645 1.00 0.00 C ATOM 614 OG1 THR A 39 -16.524 8.015 -3.146 1.00 0.00 O ATOM 615 CG2 THR A 39 -18.830 8.355 -2.541 1.00 0.00 C ATOM 0 H THR A 39 -17.404 6.001 -2.209 1.00 0.00 H new ATOM 0 HA THR A 39 -19.219 6.458 -4.340 1.00 0.00 H new ATOM 0 HB THR A 39 -17.953 8.632 -4.491 1.00 0.00 H new ATOM 0 HG1 THR A 39 -15.902 8.168 -3.888 1.00 0.00 H new ATOM 0 HG21 THR A 39 -18.614 9.373 -2.217 1.00 0.00 H new ATOM 0 HG22 THR A 39 -19.850 8.304 -2.923 1.00 0.00 H new ATOM 0 HG23 THR A 39 -18.725 7.675 -1.695 1.00 0.00 H new ATOM 623 N GLU A 40 -16.170 5.575 -5.109 1.00 0.00 N ATOM 624 CA GLU A 40 -15.299 5.171 -6.209 1.00 0.00 C ATOM 625 C GLU A 40 -15.745 3.828 -6.793 1.00 0.00 C ATOM 626 O GLU A 40 -15.911 3.705 -8.006 1.00 0.00 O ATOM 627 CB GLU A 40 -13.844 5.054 -5.720 1.00 0.00 C ATOM 628 CG GLU A 40 -13.208 6.440 -5.423 1.00 0.00 C ATOM 629 CD GLU A 40 -14.221 7.582 -5.520 1.00 0.00 C ATOM 630 OE1 GLU A 40 -14.513 8.000 -6.628 1.00 0.00 O ATOM 631 OE2 GLU A 40 -14.680 8.027 -4.483 1.00 0.00 O ATOM 0 H GLU A 40 -15.803 5.369 -4.180 1.00 0.00 H new ATOM 0 HA GLU A 40 -15.364 5.933 -6.986 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -13.814 4.442 -4.818 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -13.250 4.538 -6.475 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -12.772 6.429 -4.424 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -12.394 6.620 -6.125 1.00 0.00 H new ATOM 638 N LEU A 41 -15.928 2.817 -5.936 1.00 0.00 N ATOM 639 CA LEU A 41 -16.344 1.494 -6.417 1.00 0.00 C ATOM 640 C LEU A 41 -17.783 1.184 -6.003 1.00 0.00 C ATOM 641 O LEU A 41 -18.156 0.023 -5.843 1.00 0.00 O ATOM 642 CB LEU A 41 -15.398 0.404 -5.884 1.00 0.00 C ATOM 643 CG LEU A 41 -14.818 0.827 -4.532 1.00 0.00 C ATOM 644 CD1 LEU A 41 -14.426 -0.421 -3.731 1.00 0.00 C ATOM 645 CD2 LEU A 41 -13.575 1.696 -4.755 1.00 0.00 C ATOM 0 H LEU A 41 -15.798 2.885 -4.927 1.00 0.00 H new ATOM 0 HA LEU A 41 -16.295 1.505 -7.506 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -15.938 -0.537 -5.779 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -14.591 0.231 -6.597 1.00 0.00 H new ATOM 0 HG LEU A 41 -15.566 1.396 -3.981 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -14.013 -0.120 -2.768 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -15.307 -1.042 -3.570 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -13.679 -0.989 -4.285 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -13.163 1.996 -3.791 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -12.827 1.127 -5.307 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -13.849 2.584 -5.325 1.00 0.00 H new ATOM 657 N SER A 42 -18.585 2.227 -5.837 1.00 0.00 N ATOM 658 CA SER A 42 -19.981 2.049 -5.447 1.00 0.00 C ATOM 659 C SER A 42 -20.642 0.963 -6.294 1.00 0.00 C ATOM 660 O SER A 42 -21.323 0.082 -5.771 1.00 0.00 O ATOM 661 CB SER A 42 -20.744 3.369 -5.616 1.00 0.00 C ATOM 662 OG SER A 42 -21.981 3.119 -6.270 1.00 0.00 O ATOM 0 H SER A 42 -18.299 3.198 -5.964 1.00 0.00 H new ATOM 0 HA SER A 42 -20.010 1.744 -4.401 1.00 0.00 H new ATOM 0 HB2 SER A 42 -20.921 3.827 -4.643 1.00 0.00 H new ATOM 0 HB3 SER A 42 -20.149 4.074 -6.197 1.00 0.00 H new ATOM 0 HG SER A 42 -22.470 3.961 -6.377 1.00 0.00 H new ATOM 668 N GLY A 43 -20.446 1.040 -7.606 1.00 0.00 N ATOM 669 CA GLY A 43 -21.033 0.064 -8.518 1.00 0.00 C ATOM 670 C GLY A 43 -20.264 -1.257 -8.507 1.00 0.00 C ATOM 671 O GLY A 43 -20.855 -2.328 -8.639 1.00 0.00 O ATOM 0 H GLY A 43 -19.889 1.764 -8.060 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -22.071 -0.117 -8.238 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -21.042 0.471 -9.529 1.00 0.00 H new ATOM 675 N PHE A 44 -18.945 -1.172 -8.372 1.00 0.00 N ATOM 676 CA PHE A 44 -18.105 -2.368 -8.371 1.00 0.00 C ATOM 677 C PHE A 44 -18.247 -3.158 -7.070 1.00 0.00 C ATOM 678 O PHE A 44 -18.573 -4.346 -7.093 1.00 0.00 O ATOM 679 CB PHE A 44 -16.638 -1.974 -8.575 1.00 0.00 C ATOM 680 CG PHE A 44 -15.746 -3.156 -8.275 1.00 0.00 C ATOM 681 CD1 PHE A 44 -15.345 -3.408 -6.957 1.00 0.00 C ATOM 682 CD2 PHE A 44 -15.326 -4.001 -9.308 1.00 0.00 C ATOM 683 CE1 PHE A 44 -14.525 -4.503 -6.673 1.00 0.00 C ATOM 684 CE2 PHE A 44 -14.503 -5.097 -9.024 1.00 0.00 C ATOM 685 CZ PHE A 44 -14.102 -5.349 -7.706 1.00 0.00 C ATOM 0 H PHE A 44 -18.436 -0.295 -8.262 1.00 0.00 H new ATOM 0 HA PHE A 44 -18.436 -3.006 -9.190 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -16.481 -1.639 -9.600 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -16.382 -1.138 -7.924 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -15.670 -2.756 -6.160 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -15.637 -3.808 -10.324 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -14.217 -4.697 -5.656 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -14.177 -5.748 -9.821 1.00 0.00 H new ATOM 0 HZ PHE A 44 -13.467 -6.195 -7.486 1.00 0.00 H new ATOM 695 N LEU A 45 -17.981 -2.508 -5.941 1.00 0.00 N ATOM 696 CA LEU A 45 -18.067 -3.187 -4.652 1.00 0.00 C ATOM 697 C LEU A 45 -19.402 -3.919 -4.524 1.00 0.00 C ATOM 698 O LEU A 45 -19.584 -4.748 -3.632 1.00 0.00 O ATOM 699 CB LEU A 45 -17.866 -2.170 -3.504 1.00 0.00 C ATOM 700 CG LEU A 45 -19.202 -1.802 -2.835 1.00 0.00 C ATOM 701 CD1 LEU A 45 -18.956 -0.694 -1.804 1.00 0.00 C ATOM 702 CD2 LEU A 45 -20.215 -1.320 -3.895 1.00 0.00 C ATOM 0 H LEU A 45 -17.708 -1.526 -5.891 1.00 0.00 H new ATOM 0 HA LEU A 45 -17.274 -3.932 -4.586 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -17.189 -2.589 -2.760 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -17.393 -1.269 -3.894 1.00 0.00 H new ATOM 0 HG LEU A 45 -19.613 -2.681 -2.339 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -19.898 -0.427 -1.325 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -18.253 -1.048 -1.050 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -18.542 0.182 -2.303 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -21.156 -1.063 -3.409 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -19.818 -0.442 -4.405 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -20.387 -2.114 -4.621 1.00 0.00 H new ATOM 714 N ASP A 46 -20.325 -3.614 -5.429 1.00 0.00 N ATOM 715 CA ASP A 46 -21.633 -4.256 -5.414 1.00 0.00 C ATOM 716 C ASP A 46 -21.469 -5.768 -5.494 1.00 0.00 C ATOM 717 O ASP A 46 -22.294 -6.525 -4.983 1.00 0.00 O ATOM 718 CB ASP A 46 -22.468 -3.765 -6.600 1.00 0.00 C ATOM 719 CG ASP A 46 -23.954 -3.846 -6.264 1.00 0.00 C ATOM 720 OD1 ASP A 46 -24.502 -4.932 -6.347 1.00 0.00 O ATOM 721 OD2 ASP A 46 -24.522 -2.820 -5.928 1.00 0.00 O ATOM 0 H ASP A 46 -20.193 -2.932 -6.176 1.00 0.00 H new ATOM 0 HA ASP A 46 -22.143 -3.999 -4.486 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -22.198 -2.738 -6.844 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -22.253 -4.369 -7.481 1.00 0.00 H new ATOM 726 N ALA A 47 -20.391 -6.195 -6.142 1.00 0.00 N ATOM 727 CA ALA A 47 -20.108 -7.614 -6.295 1.00 0.00 C ATOM 728 C ALA A 47 -19.498 -8.180 -5.015 1.00 0.00 C ATOM 729 O ALA A 47 -19.735 -9.335 -4.660 1.00 0.00 O ATOM 730 CB ALA A 47 -19.141 -7.819 -7.462 1.00 0.00 C ATOM 0 H ALA A 47 -19.700 -5.578 -6.569 1.00 0.00 H new ATOM 0 HA ALA A 47 -21.042 -8.139 -6.496 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -18.929 -8.882 -7.576 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -19.591 -7.438 -8.379 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -18.213 -7.283 -7.264 1.00 0.00 H new ATOM 736 N GLN A 48 -18.709 -7.358 -4.330 1.00 0.00 N ATOM 737 CA GLN A 48 -18.066 -7.785 -3.092 1.00 0.00 C ATOM 738 C GLN A 48 -19.072 -7.830 -1.946 1.00 0.00 C ATOM 739 O GLN A 48 -18.928 -8.619 -1.013 1.00 0.00 O ATOM 740 CB GLN A 48 -16.929 -6.826 -2.736 1.00 0.00 C ATOM 741 CG GLN A 48 -15.805 -6.963 -3.766 1.00 0.00 C ATOM 742 CD GLN A 48 -14.697 -5.960 -3.465 1.00 0.00 C ATOM 743 OE1 GLN A 48 -14.975 -4.816 -3.106 1.00 0.00 O ATOM 744 NE2 GLN A 48 -13.449 -6.323 -3.592 1.00 0.00 N ATOM 0 H GLN A 48 -18.500 -6.399 -4.609 1.00 0.00 H new ATOM 0 HA GLN A 48 -17.665 -8.787 -3.244 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -17.297 -5.800 -2.717 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -16.551 -7.047 -1.738 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -15.404 -7.977 -3.747 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -16.197 -6.794 -4.769 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -13.222 -7.272 -3.890 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -12.702 -5.658 -3.393 1.00 0.00 H new ATOM 753 N LYS A 49 -20.090 -6.978 -2.020 1.00 0.00 N ATOM 754 CA LYS A 49 -21.109 -6.933 -0.978 1.00 0.00 C ATOM 755 C LYS A 49 -21.528 -8.344 -0.579 1.00 0.00 C ATOM 756 O LYS A 49 -21.815 -8.610 0.589 1.00 0.00 O ATOM 757 CB LYS A 49 -22.331 -6.155 -1.473 1.00 0.00 C ATOM 758 CG LYS A 49 -22.002 -4.661 -1.532 1.00 0.00 C ATOM 759 CD LYS A 49 -22.254 -4.022 -0.164 1.00 0.00 C ATOM 760 CE LYS A 49 -22.058 -2.508 -0.264 1.00 0.00 C ATOM 761 NZ LYS A 49 -22.914 -1.967 -1.356 1.00 0.00 N ATOM 0 H LYS A 49 -20.231 -6.316 -2.783 1.00 0.00 H new ATOM 0 HA LYS A 49 -20.689 -6.430 -0.107 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -22.626 -6.512 -2.460 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -23.177 -6.325 -0.807 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -20.961 -4.519 -1.824 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -22.615 -4.174 -2.290 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -23.266 -4.247 0.173 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -21.571 -4.440 0.576 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -22.316 -2.034 0.683 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -21.011 -2.278 -0.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -23.023 -0.940 -1.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -22.469 -2.162 -2.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -23.849 -2.420 -1.321 1.00 0.00 H new ATOM 775 N ASP A 50 -21.558 -9.246 -1.554 1.00 0.00 N ATOM 776 CA ASP A 50 -21.941 -10.628 -1.290 1.00 0.00 C ATOM 777 C ASP A 50 -20.991 -11.260 -0.278 1.00 0.00 C ATOM 778 O ASP A 50 -21.377 -12.149 0.480 1.00 0.00 O ATOM 779 CB ASP A 50 -21.914 -11.435 -2.590 1.00 0.00 C ATOM 780 CG ASP A 50 -22.317 -12.879 -2.316 1.00 0.00 C ATOM 781 OD1 ASP A 50 -21.605 -13.542 -1.579 1.00 0.00 O ATOM 782 OD2 ASP A 50 -23.331 -13.303 -2.846 1.00 0.00 O ATOM 0 H ASP A 50 -21.324 -9.048 -2.527 1.00 0.00 H new ATOM 0 HA ASP A 50 -22.951 -10.635 -0.880 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -22.594 -10.991 -3.317 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -20.916 -11.404 -3.026 1.00 0.00 H new ATOM 787 N ALA A 51 -19.746 -10.794 -0.274 1.00 0.00 N ATOM 788 CA ALA A 51 -18.746 -11.319 0.649 1.00 0.00 C ATOM 789 C ALA A 51 -18.767 -10.544 1.962 1.00 0.00 C ATOM 790 O ALA A 51 -18.749 -9.313 1.968 1.00 0.00 O ATOM 791 CB ALA A 51 -17.355 -11.223 0.019 1.00 0.00 C ATOM 0 H ALA A 51 -19.407 -10.059 -0.895 1.00 0.00 H new ATOM 0 HA ALA A 51 -18.981 -12.363 0.855 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -16.613 -11.617 0.714 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -17.333 -11.803 -0.903 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -17.127 -10.180 -0.203 1.00 0.00 H new ATOM 797 N ASP A 52 -18.803 -11.274 3.072 1.00 0.00 N ATOM 798 CA ASP A 52 -18.825 -10.647 4.388 1.00 0.00 C ATOM 799 C ASP A 52 -17.473 -10.012 4.701 1.00 0.00 C ATOM 800 O ASP A 52 -17.371 -9.142 5.566 1.00 0.00 O ATOM 801 CB ASP A 52 -19.162 -11.688 5.456 1.00 0.00 C ATOM 802 CG ASP A 52 -19.553 -10.993 6.756 1.00 0.00 C ATOM 803 OD1 ASP A 52 -20.722 -10.676 6.906 1.00 0.00 O ATOM 804 OD2 ASP A 52 -18.680 -10.790 7.583 1.00 0.00 O ATOM 0 H ASP A 52 -18.817 -12.294 3.087 1.00 0.00 H new ATOM 0 HA ASP A 52 -19.588 -9.868 4.387 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -19.980 -12.322 5.113 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -18.304 -12.338 5.625 1.00 0.00 H new ATOM 809 N ALA A 53 -16.439 -10.455 3.994 1.00 0.00 N ATOM 810 CA ALA A 53 -15.097 -9.925 4.206 1.00 0.00 C ATOM 811 C ALA A 53 -15.102 -8.401 4.135 1.00 0.00 C ATOM 812 O ALA A 53 -14.316 -7.738 4.813 1.00 0.00 O ATOM 813 CB ALA A 53 -14.142 -10.483 3.148 1.00 0.00 C ATOM 0 H ALA A 53 -16.503 -11.175 3.274 1.00 0.00 H new ATOM 0 HA ALA A 53 -14.761 -10.229 5.197 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -13.142 -10.082 3.313 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -14.114 -11.570 3.220 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -14.489 -10.194 2.156 1.00 0.00 H new ATOM 819 N VAL A 54 -15.990 -7.852 3.314 1.00 0.00 N ATOM 820 CA VAL A 54 -16.084 -6.404 3.167 1.00 0.00 C ATOM 821 C VAL A 54 -16.317 -5.744 4.523 1.00 0.00 C ATOM 822 O VAL A 54 -15.696 -4.731 4.847 1.00 0.00 O ATOM 823 CB VAL A 54 -17.233 -6.047 2.222 1.00 0.00 C ATOM 824 CG1 VAL A 54 -17.081 -6.826 0.915 1.00 0.00 C ATOM 825 CG2 VAL A 54 -18.565 -6.411 2.879 1.00 0.00 C ATOM 0 H VAL A 54 -16.650 -8.382 2.745 1.00 0.00 H new ATOM 0 HA VAL A 54 -15.145 -6.038 2.751 1.00 0.00 H new ATOM 0 HB VAL A 54 -17.210 -4.978 2.012 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -17.900 -6.571 0.242 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -16.132 -6.567 0.446 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -17.103 -7.896 1.124 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -19.384 -6.157 2.206 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -18.587 -7.480 3.089 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -18.675 -5.856 3.810 1.00 0.00 H new ATOM 835 N ASP A 55 -17.216 -6.325 5.310 1.00 0.00 N ATOM 836 CA ASP A 55 -17.527 -5.787 6.629 1.00 0.00 C ATOM 837 C ASP A 55 -16.324 -5.915 7.560 1.00 0.00 C ATOM 838 O ASP A 55 -16.148 -5.113 8.478 1.00 0.00 O ATOM 839 CB ASP A 55 -18.719 -6.535 7.229 1.00 0.00 C ATOM 840 CG ASP A 55 -19.390 -5.676 8.296 1.00 0.00 C ATOM 841 OD1 ASP A 55 -18.932 -4.566 8.510 1.00 0.00 O ATOM 842 OD2 ASP A 55 -20.354 -6.141 8.882 1.00 0.00 O ATOM 0 H ASP A 55 -17.739 -7.164 5.059 1.00 0.00 H new ATOM 0 HA ASP A 55 -17.776 -4.731 6.520 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -19.436 -6.782 6.446 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -18.386 -7.477 7.665 1.00 0.00 H new ATOM 847 N LYS A 56 -15.506 -6.933 7.321 1.00 0.00 N ATOM 848 CA LYS A 56 -14.326 -7.166 8.148 1.00 0.00 C ATOM 849 C LYS A 56 -13.506 -5.888 8.309 1.00 0.00 C ATOM 850 O LYS A 56 -13.107 -5.533 9.418 1.00 0.00 O ATOM 851 CB LYS A 56 -13.457 -8.255 7.518 1.00 0.00 C ATOM 852 CG LYS A 56 -12.427 -8.743 8.538 1.00 0.00 C ATOM 853 CD LYS A 56 -11.585 -9.860 7.918 1.00 0.00 C ATOM 854 CE LYS A 56 -10.923 -10.679 9.028 1.00 0.00 C ATOM 855 NZ LYS A 56 -10.400 -9.760 10.079 1.00 0.00 N ATOM 0 H LYS A 56 -15.636 -7.607 6.567 1.00 0.00 H new ATOM 0 HA LYS A 56 -14.661 -7.487 9.134 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -14.080 -9.087 7.189 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -12.952 -7.866 6.634 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -11.785 -7.918 8.846 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -12.930 -9.107 9.434 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -12.213 -10.504 7.302 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -10.825 -9.435 7.263 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -11.643 -11.373 9.462 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -10.111 -11.279 8.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -9.676 -10.252 10.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -9.979 -8.922 9.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -11.180 -9.464 10.701 1.00 0.00 H new ATOM 869 N VAL A 57 -13.248 -5.203 7.198 1.00 0.00 N ATOM 870 CA VAL A 57 -12.466 -3.972 7.241 1.00 0.00 C ATOM 871 C VAL A 57 -13.294 -2.822 7.817 1.00 0.00 C ATOM 872 O VAL A 57 -12.759 -1.935 8.481 1.00 0.00 O ATOM 873 CB VAL A 57 -11.960 -3.618 5.834 1.00 0.00 C ATOM 874 CG1 VAL A 57 -11.679 -4.906 5.059 1.00 0.00 C ATOM 875 CG2 VAL A 57 -13.009 -2.795 5.079 1.00 0.00 C ATOM 0 H VAL A 57 -13.565 -5.476 6.268 1.00 0.00 H new ATOM 0 HA VAL A 57 -11.608 -4.131 7.894 1.00 0.00 H new ATOM 0 HB VAL A 57 -11.047 -3.029 5.926 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -11.320 -4.659 4.060 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -10.921 -5.488 5.583 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -12.596 -5.491 4.980 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -12.635 -2.553 4.084 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -13.929 -3.372 4.990 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -13.211 -1.873 5.625 1.00 0.00 H new ATOM 885 N MET A 58 -14.597 -2.846 7.557 1.00 0.00 N ATOM 886 CA MET A 58 -15.482 -1.798 8.056 1.00 0.00 C ATOM 887 C MET A 58 -15.357 -1.668 9.571 1.00 0.00 C ATOM 888 O MET A 58 -15.577 -0.595 10.132 1.00 0.00 O ATOM 889 CB MET A 58 -16.933 -2.113 7.687 1.00 0.00 C ATOM 890 CG MET A 58 -17.111 -1.999 6.172 1.00 0.00 C ATOM 891 SD MET A 58 -17.340 -0.261 5.721 1.00 0.00 S ATOM 892 CE MET A 58 -16.403 -0.301 4.174 1.00 0.00 C ATOM 0 H MET A 58 -15.061 -3.571 7.010 1.00 0.00 H new ATOM 0 HA MET A 58 -15.189 -0.855 7.595 1.00 0.00 H new ATOM 0 HB2 MET A 58 -17.194 -3.118 8.020 1.00 0.00 H new ATOM 0 HB3 MET A 58 -17.607 -1.423 8.196 1.00 0.00 H new ATOM 0 HG2 MET A 58 -16.239 -2.407 5.661 1.00 0.00 H new ATOM 0 HG3 MET A 58 -17.972 -2.586 5.851 1.00 0.00 H new ATOM 0 HE1 MET A 58 -16.413 0.688 3.717 1.00 0.00 H new ATOM 0 HE2 MET A 58 -15.374 -0.595 4.380 1.00 0.00 H new ATOM 0 HE3 MET A 58 -16.857 -1.021 3.492 1.00 0.00 H new ATOM 902 N LYS A 59 -15.001 -2.767 10.229 1.00 0.00 N ATOM 903 CA LYS A 59 -14.850 -2.757 11.679 1.00 0.00 C ATOM 904 C LYS A 59 -13.908 -1.636 12.109 1.00 0.00 C ATOM 905 O LYS A 59 -14.047 -1.077 13.196 1.00 0.00 O ATOM 906 CB LYS A 59 -14.300 -4.102 12.159 1.00 0.00 C ATOM 907 CG LYS A 59 -14.262 -4.121 13.689 1.00 0.00 C ATOM 908 CD LYS A 59 -13.674 -5.448 14.170 1.00 0.00 C ATOM 909 CE LYS A 59 -13.794 -5.538 15.692 1.00 0.00 C ATOM 910 NZ LYS A 59 -13.520 -6.935 16.131 1.00 0.00 N ATOM 0 H LYS A 59 -14.814 -3.667 9.786 1.00 0.00 H new ATOM 0 HA LYS A 59 -15.829 -2.587 12.127 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -14.925 -4.915 11.790 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -13.299 -4.262 11.758 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -13.661 -3.290 14.058 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -15.267 -3.990 14.090 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -14.200 -6.281 13.703 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -12.628 -5.524 13.872 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -13.090 -4.853 16.164 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -14.793 -5.236 16.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -13.602 -6.996 17.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -14.208 -7.579 15.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -12.558 -7.207 15.843 1.00 0.00 H new ATOM 924 N GLU A 60 -12.948 -1.316 11.247 1.00 0.00 N ATOM 925 CA GLU A 60 -11.985 -0.261 11.548 1.00 0.00 C ATOM 926 C GLU A 60 -12.671 1.101 11.581 1.00 0.00 C ATOM 927 O GLU A 60 -12.700 1.766 12.617 1.00 0.00 O ATOM 928 CB GLU A 60 -10.878 -0.250 10.492 1.00 0.00 C ATOM 929 CG GLU A 60 -10.116 -1.576 10.535 1.00 0.00 C ATOM 930 CD GLU A 60 -8.946 -1.537 9.558 1.00 0.00 C ATOM 931 OE1 GLU A 60 -8.836 -0.560 8.836 1.00 0.00 O ATOM 932 OE2 GLU A 60 -8.178 -2.485 9.546 1.00 0.00 O ATOM 0 H GLU A 60 -12.816 -1.767 10.342 1.00 0.00 H new ATOM 0 HA GLU A 60 -11.552 -0.460 12.529 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -11.307 -0.097 9.502 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -10.195 0.580 10.675 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -9.751 -1.763 11.545 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -10.785 -2.398 10.281 1.00 0.00 H new ATOM 939 N LEU A 61 -13.218 1.513 10.442 1.00 0.00 N ATOM 940 CA LEU A 61 -13.898 2.802 10.354 1.00 0.00 C ATOM 941 C LEU A 61 -15.192 2.785 11.163 1.00 0.00 C ATOM 942 O LEU A 61 -15.545 3.773 11.804 1.00 0.00 O ATOM 943 CB LEU A 61 -14.209 3.139 8.889 1.00 0.00 C ATOM 944 CG LEU A 61 -14.981 1.980 8.229 1.00 0.00 C ATOM 945 CD1 LEU A 61 -16.486 2.270 8.257 1.00 0.00 C ATOM 946 CD2 LEU A 61 -14.529 1.821 6.772 1.00 0.00 C ATOM 0 H LEU A 61 -13.205 0.979 9.573 1.00 0.00 H new ATOM 0 HA LEU A 61 -13.237 3.565 10.766 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -14.798 4.055 8.836 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -13.282 3.324 8.346 1.00 0.00 H new ATOM 0 HG LEU A 61 -14.777 1.062 8.781 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -17.024 1.446 7.789 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -16.816 2.379 9.290 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -16.689 3.192 7.712 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -15.077 1.001 6.309 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -14.727 2.744 6.227 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -13.461 1.606 6.744 1.00 0.00 H new ATOM 958 N ASP A 62 -15.895 1.658 11.126 1.00 0.00 N ATOM 959 CA ASP A 62 -17.153 1.527 11.855 1.00 0.00 C ATOM 960 C ASP A 62 -16.941 1.727 13.353 1.00 0.00 C ATOM 961 O ASP A 62 -17.476 2.665 13.945 1.00 0.00 O ATOM 962 CB ASP A 62 -17.759 0.145 11.605 1.00 0.00 C ATOM 963 CG ASP A 62 -19.183 0.094 12.146 1.00 0.00 C ATOM 964 OD1 ASP A 62 -20.037 0.754 11.576 1.00 0.00 O ATOM 965 OD2 ASP A 62 -19.400 -0.602 13.123 1.00 0.00 O ATOM 0 H ASP A 62 -15.618 0.827 10.603 1.00 0.00 H new ATOM 0 HA ASP A 62 -17.835 2.297 11.495 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -17.759 -0.073 10.537 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -17.151 -0.620 12.087 1.00 0.00 H new ATOM 970 N GLU A 63 -16.163 0.839 13.962 1.00 0.00 N ATOM 971 CA GLU A 63 -15.895 0.926 15.395 1.00 0.00 C ATOM 972 C GLU A 63 -15.690 2.377 15.821 1.00 0.00 C ATOM 973 O GLU A 63 -16.440 2.904 16.642 1.00 0.00 O ATOM 974 CB GLU A 63 -14.648 0.110 15.743 1.00 0.00 C ATOM 975 CG GLU A 63 -14.461 0.086 17.261 1.00 0.00 C ATOM 976 CD GLU A 63 -13.173 -0.650 17.616 1.00 0.00 C ATOM 977 OE1 GLU A 63 -12.494 -1.089 16.703 1.00 0.00 O ATOM 978 OE2 GLU A 63 -12.886 -0.765 18.796 1.00 0.00 O ATOM 0 H GLU A 63 -15.709 0.056 13.491 1.00 0.00 H new ATOM 0 HA GLU A 63 -16.756 0.523 15.929 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -14.748 -0.906 15.362 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -13.771 0.545 15.265 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -14.426 1.105 17.648 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -15.312 -0.405 17.733 1.00 0.00 H new ATOM 985 N ASP A 64 -14.671 3.018 15.257 1.00 0.00 N ATOM 986 CA ASP A 64 -14.377 4.409 15.587 1.00 0.00 C ATOM 987 C ASP A 64 -15.176 5.350 14.692 1.00 0.00 C ATOM 988 O ASP A 64 -14.783 6.495 14.469 1.00 0.00 O ATOM 989 CB ASP A 64 -12.882 4.682 15.414 1.00 0.00 C ATOM 990 CG ASP A 64 -12.083 3.876 16.432 1.00 0.00 C ATOM 991 OD1 ASP A 64 -12.681 3.406 17.387 1.00 0.00 O ATOM 992 OD2 ASP A 64 -10.886 3.741 16.244 1.00 0.00 O ATOM 0 H ASP A 64 -14.039 2.600 14.574 1.00 0.00 H new ATOM 0 HA ASP A 64 -14.659 4.585 16.625 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -12.570 4.418 14.403 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -12.681 5.746 15.542 1.00 0.00 H new ATOM 997 N GLY A 65 -16.296 4.854 14.175 1.00 0.00 N ATOM 998 CA GLY A 65 -17.141 5.653 13.297 1.00 0.00 C ATOM 999 C GLY A 65 -17.291 7.080 13.813 1.00 0.00 C ATOM 1000 O GLY A 65 -17.095 8.041 13.071 1.00 0.00 O ATOM 0 H GLY A 65 -16.637 3.908 14.348 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -16.713 5.670 12.295 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -18.124 5.189 13.215 1.00 0.00 H new ATOM 1004 N ASP A 66 -17.639 7.218 15.086 1.00 0.00 N ATOM 1005 CA ASP A 66 -17.812 8.541 15.672 1.00 0.00 C ATOM 1006 C ASP A 66 -16.520 9.344 15.562 1.00 0.00 C ATOM 1007 O ASP A 66 -16.538 10.575 15.579 1.00 0.00 O ATOM 1008 CB ASP A 66 -18.215 8.413 17.143 1.00 0.00 C ATOM 1009 CG ASP A 66 -18.547 9.786 17.715 1.00 0.00 C ATOM 1010 OD1 ASP A 66 -19.183 10.560 17.016 1.00 0.00 O ATOM 1011 OD2 ASP A 66 -18.164 10.045 18.844 1.00 0.00 O ATOM 0 H ASP A 66 -17.805 6.441 15.726 1.00 0.00 H new ATOM 0 HA ASP A 66 -18.599 9.062 15.127 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -19.078 7.753 17.236 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -17.404 7.959 17.712 1.00 0.00 H new ATOM 1016 N GLY A 67 -15.401 8.638 15.453 1.00 0.00 N ATOM 1017 CA GLY A 67 -14.103 9.292 15.343 1.00 0.00 C ATOM 1018 C GLY A 67 -13.716 9.540 13.886 1.00 0.00 C ATOM 1019 O GLY A 67 -14.544 9.433 12.975 1.00 0.00 O ATOM 0 H GLY A 67 -15.366 7.619 15.438 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -14.127 10.241 15.880 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -13.343 8.674 15.821 1.00 0.00 H new ATOM 1023 N GLU A 68 -12.443 9.870 13.682 1.00 0.00 N ATOM 1024 CA GLU A 68 -11.923 10.133 12.344 1.00 0.00 C ATOM 1025 C GLU A 68 -10.611 9.383 12.136 1.00 0.00 C ATOM 1026 O GLU A 68 -10.019 8.875 13.088 1.00 0.00 O ATOM 1027 CB GLU A 68 -11.691 11.636 12.165 1.00 0.00 C ATOM 1028 CG GLU A 68 -10.737 12.139 13.249 1.00 0.00 C ATOM 1029 CD GLU A 68 -10.946 13.632 13.477 1.00 0.00 C ATOM 1030 OE1 GLU A 68 -12.089 14.035 13.615 1.00 0.00 O ATOM 1031 OE2 GLU A 68 -9.961 14.350 13.512 1.00 0.00 O ATOM 0 H GLU A 68 -11.753 9.962 14.427 1.00 0.00 H new ATOM 0 HA GLU A 68 -12.650 9.790 11.608 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -11.274 11.835 11.178 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -12.639 12.170 12.224 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -10.908 11.594 14.177 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -9.705 11.949 12.953 1.00 0.00 H new ATOM 1038 N VAL A 69 -10.160 9.314 10.886 1.00 0.00 N ATOM 1039 CA VAL A 69 -8.915 8.617 10.566 1.00 0.00 C ATOM 1040 C VAL A 69 -7.929 9.564 9.890 1.00 0.00 C ATOM 1041 O VAL A 69 -8.320 10.432 9.109 1.00 0.00 O ATOM 1042 CB VAL A 69 -9.205 7.433 9.641 1.00 0.00 C ATOM 1043 CG1 VAL A 69 -9.903 7.928 8.368 1.00 0.00 C ATOM 1044 CG2 VAL A 69 -7.890 6.741 9.274 1.00 0.00 C ATOM 0 H VAL A 69 -10.633 9.728 10.083 1.00 0.00 H new ATOM 0 HA VAL A 69 -8.473 8.254 11.494 1.00 0.00 H new ATOM 0 HB VAL A 69 -9.857 6.725 10.152 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -10.107 7.081 7.713 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -10.841 8.416 8.634 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -9.257 8.639 7.852 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -8.094 5.897 8.615 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -7.236 7.449 8.765 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -7.402 6.383 10.181 1.00 0.00 H new ATOM 1054 N ASP A 70 -6.647 9.392 10.199 1.00 0.00 N ATOM 1055 CA ASP A 70 -5.610 10.237 9.618 1.00 0.00 C ATOM 1056 C ASP A 70 -5.850 10.435 8.125 1.00 0.00 C ATOM 1057 O ASP A 70 -6.634 11.293 7.722 1.00 0.00 O ATOM 1058 CB ASP A 70 -4.236 9.601 9.840 1.00 0.00 C ATOM 1059 CG ASP A 70 -3.156 10.454 9.184 1.00 0.00 C ATOM 1060 OD1 ASP A 70 -2.890 11.531 9.690 1.00 0.00 O ATOM 1061 OD2 ASP A 70 -2.609 10.015 8.185 1.00 0.00 O ATOM 0 H ASP A 70 -6.303 8.680 10.844 1.00 0.00 H new ATOM 0 HA ASP A 70 -5.643 11.210 10.108 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -4.038 9.506 10.908 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -4.220 8.594 9.422 1.00 0.00 H new ATOM 1066 N PHE A 71 -5.169 9.635 7.310 1.00 0.00 N ATOM 1067 CA PHE A 71 -5.318 9.735 5.862 1.00 0.00 C ATOM 1068 C PHE A 71 -4.690 8.523 5.178 1.00 0.00 C ATOM 1069 O PHE A 71 -5.394 7.671 4.637 1.00 0.00 O ATOM 1070 CB PHE A 71 -4.659 11.031 5.363 1.00 0.00 C ATOM 1071 CG PHE A 71 -4.336 10.935 3.885 1.00 0.00 C ATOM 1072 CD1 PHE A 71 -5.186 10.237 3.015 1.00 0.00 C ATOM 1073 CD2 PHE A 71 -3.181 11.549 3.388 1.00 0.00 C ATOM 1074 CE1 PHE A 71 -4.876 10.155 1.652 1.00 0.00 C ATOM 1075 CE2 PHE A 71 -2.873 11.467 2.026 1.00 0.00 C ATOM 1076 CZ PHE A 71 -3.720 10.769 1.158 1.00 0.00 C ATOM 0 H PHE A 71 -4.515 8.917 7.623 1.00 0.00 H new ATOM 0 HA PHE A 71 -6.379 9.757 5.614 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -5.326 11.875 5.540 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -3.746 11.221 5.928 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -6.079 9.763 3.396 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -2.526 12.087 4.057 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -5.530 9.617 0.981 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -1.982 11.942 1.644 1.00 0.00 H new ATOM 0 HZ PHE A 71 -3.481 10.704 0.107 1.00 0.00 H new ATOM 1086 N GLN A 72 -3.364 8.456 5.204 1.00 0.00 N ATOM 1087 CA GLN A 72 -2.650 7.346 4.581 1.00 0.00 C ATOM 1088 C GLN A 72 -3.111 6.012 5.161 1.00 0.00 C ATOM 1089 O GLN A 72 -3.068 4.990 4.490 1.00 0.00 O ATOM 1090 CB GLN A 72 -1.142 7.502 4.801 1.00 0.00 C ATOM 1091 CG GLN A 72 -0.554 8.461 3.759 1.00 0.00 C ATOM 1092 CD GLN A 72 -1.009 9.889 4.044 1.00 0.00 C ATOM 1093 OE1 GLN A 72 -1.714 10.135 5.022 1.00 0.00 O ATOM 1094 NE2 GLN A 72 -0.642 10.851 3.242 1.00 0.00 N ATOM 0 H GLN A 72 -2.764 9.152 5.647 1.00 0.00 H new ATOM 0 HA GLN A 72 -2.867 7.359 3.513 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -0.950 7.881 5.805 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -0.654 6.530 4.729 1.00 0.00 H new ATOM 0 HG2 GLN A 72 0.535 8.407 3.778 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -0.871 8.163 2.760 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -0.058 10.645 2.432 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -0.940 11.809 3.425 1.00 0.00 H new ATOM 1103 N GLU A 73 -3.546 6.031 6.412 1.00 0.00 N ATOM 1104 CA GLU A 73 -4.004 4.812 7.077 1.00 0.00 C ATOM 1105 C GLU A 73 -4.994 4.030 6.209 1.00 0.00 C ATOM 1106 O GLU A 73 -5.180 2.829 6.402 1.00 0.00 O ATOM 1107 CB GLU A 73 -4.671 5.170 8.406 1.00 0.00 C ATOM 1108 CG GLU A 73 -3.597 5.487 9.449 1.00 0.00 C ATOM 1109 CD GLU A 73 -4.248 5.763 10.799 1.00 0.00 C ATOM 1110 OE1 GLU A 73 -4.887 6.794 10.927 1.00 0.00 O ATOM 1111 OE2 GLU A 73 -4.101 4.938 11.686 1.00 0.00 O ATOM 0 H GLU A 73 -3.593 6.871 6.988 1.00 0.00 H new ATOM 0 HA GLU A 73 -3.132 4.181 7.250 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -5.330 6.029 8.275 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -5.292 4.342 8.748 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -2.903 4.651 9.535 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -3.015 6.353 9.133 1.00 0.00 H new ATOM 1118 N TYR A 74 -5.645 4.718 5.279 1.00 0.00 N ATOM 1119 CA TYR A 74 -6.638 4.080 4.418 1.00 0.00 C ATOM 1120 C TYR A 74 -5.999 3.166 3.367 1.00 0.00 C ATOM 1121 O TYR A 74 -6.639 2.232 2.887 1.00 0.00 O ATOM 1122 CB TYR A 74 -7.523 5.146 3.754 1.00 0.00 C ATOM 1123 CG TYR A 74 -6.936 5.606 2.438 1.00 0.00 C ATOM 1124 CD1 TYR A 74 -5.587 5.974 2.352 1.00 0.00 C ATOM 1125 CD2 TYR A 74 -7.754 5.679 1.304 1.00 0.00 C ATOM 1126 CE1 TYR A 74 -5.059 6.412 1.130 1.00 0.00 C ATOM 1127 CE2 TYR A 74 -7.227 6.117 0.086 1.00 0.00 C ATOM 1128 CZ TYR A 74 -5.879 6.483 -0.002 1.00 0.00 C ATOM 1129 OH TYR A 74 -5.360 6.917 -1.204 1.00 0.00 O ATOM 0 H TYR A 74 -5.506 5.713 5.101 1.00 0.00 H new ATOM 0 HA TYR A 74 -7.259 3.443 5.048 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -8.521 4.741 3.588 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -7.633 5.999 4.424 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -4.955 5.920 3.226 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -8.794 5.396 1.371 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -4.019 6.695 1.062 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -7.860 6.173 -0.787 1.00 0.00 H new ATOM 0 HH TYR A 74 -5.061 7.846 -1.115 1.00 0.00 H new ATOM 1139 N VAL A 75 -4.756 3.438 2.991 1.00 0.00 N ATOM 1140 CA VAL A 75 -4.097 2.615 1.978 1.00 0.00 C ATOM 1141 C VAL A 75 -4.225 1.126 2.303 1.00 0.00 C ATOM 1142 O VAL A 75 -4.738 0.352 1.494 1.00 0.00 O ATOM 1143 CB VAL A 75 -2.617 2.981 1.862 1.00 0.00 C ATOM 1144 CG1 VAL A 75 -2.481 4.460 1.501 1.00 0.00 C ATOM 1145 CG2 VAL A 75 -1.911 2.706 3.194 1.00 0.00 C ATOM 0 H VAL A 75 -4.192 4.203 3.360 1.00 0.00 H new ATOM 0 HA VAL A 75 -4.594 2.811 1.028 1.00 0.00 H new ATOM 0 HB VAL A 75 -2.156 2.376 1.081 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -1.425 4.719 1.419 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -2.976 4.649 0.549 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -2.944 5.068 2.278 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -0.856 2.968 3.108 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -2.371 3.305 3.980 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -2.003 1.649 3.443 1.00 0.00 H new ATOM 1155 N VAL A 76 -3.755 0.727 3.480 1.00 0.00 N ATOM 1156 CA VAL A 76 -3.822 -0.672 3.881 1.00 0.00 C ATOM 1157 C VAL A 76 -5.265 -1.167 3.864 1.00 0.00 C ATOM 1158 O VAL A 76 -5.534 -2.301 3.468 1.00 0.00 O ATOM 1159 CB VAL A 76 -3.218 -0.845 5.278 1.00 0.00 C ATOM 1160 CG1 VAL A 76 -3.767 0.238 6.207 1.00 0.00 C ATOM 1161 CG2 VAL A 76 -3.585 -2.225 5.831 1.00 0.00 C ATOM 0 H VAL A 76 -3.327 1.347 4.167 1.00 0.00 H new ATOM 0 HA VAL A 76 -3.248 -1.266 3.170 1.00 0.00 H new ATOM 0 HB VAL A 76 -2.133 -0.758 5.216 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -3.338 0.116 7.202 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -3.503 1.221 5.816 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -4.852 0.151 6.267 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -3.154 -2.345 6.825 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -4.669 -2.316 5.892 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -3.193 -2.998 5.170 1.00 0.00 H new ATOM 1171 N LEU A 77 -6.192 -0.312 4.283 1.00 0.00 N ATOM 1172 CA LEU A 77 -7.603 -0.688 4.293 1.00 0.00 C ATOM 1173 C LEU A 77 -8.006 -1.218 2.920 1.00 0.00 C ATOM 1174 O LEU A 77 -8.853 -2.105 2.810 1.00 0.00 O ATOM 1175 CB LEU A 77 -8.476 0.519 4.659 1.00 0.00 C ATOM 1176 CG LEU A 77 -9.930 0.074 4.847 1.00 0.00 C ATOM 1177 CD1 LEU A 77 -10.136 -0.416 6.283 1.00 0.00 C ATOM 1178 CD2 LEU A 77 -10.864 1.259 4.576 1.00 0.00 C ATOM 0 H LEU A 77 -5.997 0.632 4.616 1.00 0.00 H new ATOM 0 HA LEU A 77 -7.752 -1.468 5.040 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -8.107 0.981 5.575 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -8.416 1.273 3.874 1.00 0.00 H new ATOM 0 HG LEU A 77 -10.153 -0.735 4.152 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -11.171 -0.732 6.415 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -9.472 -1.258 6.479 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -9.912 0.393 6.979 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -11.899 0.944 4.709 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -10.638 2.067 5.272 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -10.720 1.609 3.554 1.00 0.00 H new ATOM 1190 N VAL A 78 -7.389 -0.670 1.877 1.00 0.00 N ATOM 1191 CA VAL A 78 -7.686 -1.098 0.515 1.00 0.00 C ATOM 1192 C VAL A 78 -7.129 -2.495 0.262 1.00 0.00 C ATOM 1193 O VAL A 78 -7.724 -3.292 -0.465 1.00 0.00 O ATOM 1194 CB VAL A 78 -7.076 -0.119 -0.490 1.00 0.00 C ATOM 1195 CG1 VAL A 78 -7.412 -0.572 -1.912 1.00 0.00 C ATOM 1196 CG2 VAL A 78 -7.647 1.281 -0.256 1.00 0.00 C ATOM 0 H VAL A 78 -6.686 0.065 1.948 1.00 0.00 H new ATOM 0 HA VAL A 78 -8.769 -1.117 0.391 1.00 0.00 H new ATOM 0 HB VAL A 78 -5.994 -0.096 -0.359 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -6.978 0.125 -2.628 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -7.004 -1.568 -2.082 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -8.494 -0.596 -2.040 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -7.211 1.976 -0.973 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -8.729 1.259 -0.384 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -7.408 1.607 0.756 1.00 0.00 H new ATOM 1206 N ALA A 79 -5.977 -2.781 0.863 1.00 0.00 N ATOM 1207 CA ALA A 79 -5.336 -4.082 0.694 1.00 0.00 C ATOM 1208 C ALA A 79 -6.165 -5.188 1.342 1.00 0.00 C ATOM 1209 O ALA A 79 -6.492 -6.186 0.702 1.00 0.00 O ATOM 1210 CB ALA A 79 -3.941 -4.057 1.317 1.00 0.00 C ATOM 0 H ALA A 79 -5.471 -2.134 1.468 1.00 0.00 H new ATOM 0 HA ALA A 79 -5.258 -4.288 -0.374 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -3.467 -5.030 1.188 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -3.338 -3.292 0.828 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -4.021 -3.831 2.380 1.00 0.00 H new ATOM 1216 N ALA A 80 -6.500 -5.010 2.614 1.00 0.00 N ATOM 1217 CA ALA A 80 -7.288 -6.010 3.327 1.00 0.00 C ATOM 1218 C ALA A 80 -8.531 -6.380 2.525 1.00 0.00 C ATOM 1219 O ALA A 80 -9.029 -7.502 2.612 1.00 0.00 O ATOM 1220 CB ALA A 80 -7.703 -5.467 4.697 1.00 0.00 C ATOM 0 H ALA A 80 -6.243 -4.193 3.168 1.00 0.00 H new ATOM 0 HA ALA A 80 -6.677 -6.902 3.461 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -8.291 -6.219 5.224 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -6.813 -5.229 5.279 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -8.301 -4.566 4.565 1.00 0.00 H new ATOM 1226 N LEU A 81 -9.031 -5.426 1.750 1.00 0.00 N ATOM 1227 CA LEU A 81 -10.220 -5.657 0.938 1.00 0.00 C ATOM 1228 C LEU A 81 -9.885 -6.477 -0.308 1.00 0.00 C ATOM 1229 O LEU A 81 -10.601 -7.419 -0.650 1.00 0.00 O ATOM 1230 CB LEU A 81 -10.832 -4.313 0.524 1.00 0.00 C ATOM 1231 CG LEU A 81 -12.349 -4.455 0.367 1.00 0.00 C ATOM 1232 CD1 LEU A 81 -12.962 -3.080 0.098 1.00 0.00 C ATOM 1233 CD2 LEU A 81 -12.658 -5.390 -0.806 1.00 0.00 C ATOM 0 H LEU A 81 -8.635 -4.490 1.666 1.00 0.00 H new ATOM 0 HA LEU A 81 -10.938 -6.220 1.535 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -10.605 -3.554 1.273 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -10.391 -3.977 -0.414 1.00 0.00 H new ATOM 0 HG LEU A 81 -12.772 -4.871 1.282 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -14.042 -3.179 -0.014 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -12.743 -2.414 0.933 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -12.539 -2.666 -0.817 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -13.738 -5.490 -0.917 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -12.236 -4.976 -1.722 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -12.220 -6.370 -0.615 1.00 0.00 H new ATOM 1245 N THR A 82 -8.805 -6.107 -0.992 1.00 0.00 N ATOM 1246 CA THR A 82 -8.406 -6.812 -2.209 1.00 0.00 C ATOM 1247 C THR A 82 -7.903 -8.222 -1.895 1.00 0.00 C ATOM 1248 O THR A 82 -8.293 -9.187 -2.552 1.00 0.00 O ATOM 1249 CB THR A 82 -7.333 -6.002 -2.961 1.00 0.00 C ATOM 1250 OG1 THR A 82 -7.487 -6.207 -4.358 1.00 0.00 O ATOM 1251 CG2 THR A 82 -5.920 -6.429 -2.542 1.00 0.00 C ATOM 0 H THR A 82 -8.196 -5.332 -0.729 1.00 0.00 H new ATOM 0 HA THR A 82 -9.282 -6.912 -2.849 1.00 0.00 H new ATOM 0 HB THR A 82 -7.462 -4.948 -2.714 1.00 0.00 H new ATOM 0 HG1 THR A 82 -7.997 -7.029 -4.514 1.00 0.00 H new ATOM 0 HG21 THR A 82 -5.184 -5.840 -3.090 1.00 0.00 H new ATOM 0 HG22 THR A 82 -5.793 -6.265 -1.472 1.00 0.00 H new ATOM 0 HG23 THR A 82 -5.778 -7.486 -2.766 1.00 0.00 H new ATOM 1259 N VAL A 83 -7.031 -8.335 -0.898 1.00 0.00 N ATOM 1260 CA VAL A 83 -6.485 -9.635 -0.526 1.00 0.00 C ATOM 1261 C VAL A 83 -7.607 -10.630 -0.244 1.00 0.00 C ATOM 1262 O VAL A 83 -7.512 -11.804 -0.603 1.00 0.00 O ATOM 1263 CB VAL A 83 -5.592 -9.495 0.709 1.00 0.00 C ATOM 1264 CG1 VAL A 83 -6.459 -9.355 1.961 1.00 0.00 C ATOM 1265 CG2 VAL A 83 -4.709 -10.738 0.841 1.00 0.00 C ATOM 0 H VAL A 83 -6.691 -7.552 -0.339 1.00 0.00 H new ATOM 0 HA VAL A 83 -5.890 -10.009 -1.359 1.00 0.00 H new ATOM 0 HB VAL A 83 -4.966 -8.609 0.602 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -5.819 -9.256 2.838 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -7.089 -8.471 1.870 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -7.088 -10.239 2.069 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -4.072 -10.640 1.720 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -5.338 -11.622 0.945 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -4.087 -10.838 -0.048 1.00 0.00 H new ATOM 1275 N ALA A 84 -8.670 -10.154 0.396 1.00 0.00 N ATOM 1276 CA ALA A 84 -9.804 -11.014 0.715 1.00 0.00 C ATOM 1277 C ALA A 84 -10.510 -11.460 -0.561 1.00 0.00 C ATOM 1278 O ALA A 84 -11.063 -12.558 -0.626 1.00 0.00 O ATOM 1279 CB ALA A 84 -10.790 -10.267 1.613 1.00 0.00 C ATOM 0 H ALA A 84 -8.770 -9.186 0.702 1.00 0.00 H new ATOM 0 HA ALA A 84 -9.434 -11.895 1.240 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -11.634 -10.917 1.846 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -10.291 -9.974 2.537 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -11.149 -9.377 1.097 1.00 0.00 H new ATOM 1285 N CYS A 85 -10.491 -10.599 -1.574 1.00 0.00 N ATOM 1286 CA CYS A 85 -11.134 -10.913 -2.845 1.00 0.00 C ATOM 1287 C CYS A 85 -10.323 -11.946 -3.620 1.00 0.00 C ATOM 1288 O CYS A 85 -10.866 -12.940 -4.102 1.00 0.00 O ATOM 1289 CB CYS A 85 -11.276 -9.641 -3.684 1.00 0.00 C ATOM 1290 SG CYS A 85 -12.118 -10.033 -5.237 1.00 0.00 S ATOM 0 H CYS A 85 -10.041 -9.684 -1.540 1.00 0.00 H new ATOM 0 HA CYS A 85 -12.121 -11.327 -2.637 1.00 0.00 H new ATOM 0 HB2 CYS A 85 -11.840 -8.889 -3.132 1.00 0.00 H new ATOM 0 HB3 CYS A 85 -10.293 -9.216 -3.888 1.00 0.00 H new ATOM 0 HG CYS A 85 -12.241 -8.952 -5.949 1.00 0.00 H new ATOM 1295 N ASN A 86 -9.022 -11.704 -3.736 1.00 0.00 N ATOM 1296 CA ASN A 86 -8.145 -12.620 -4.457 1.00 0.00 C ATOM 1297 C ASN A 86 -8.247 -14.028 -3.880 1.00 0.00 C ATOM 1298 O ASN A 86 -8.325 -15.009 -4.621 1.00 0.00 O ATOM 1299 CB ASN A 86 -6.697 -12.134 -4.370 1.00 0.00 C ATOM 1300 CG ASN A 86 -5.812 -12.968 -5.290 1.00 0.00 C ATOM 1301 OD1 ASN A 86 -5.591 -12.600 -6.443 1.00 0.00 O ATOM 1302 ND2 ASN A 86 -5.287 -14.078 -4.845 1.00 0.00 N ATOM 0 H ASN A 86 -8.554 -10.887 -3.343 1.00 0.00 H new ATOM 0 HA ASN A 86 -8.458 -12.645 -5.501 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -6.640 -11.083 -4.652 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -6.341 -12.209 -3.343 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -4.693 -14.641 -5.454 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -5.471 -14.382 -3.889 1.00 0.00 H new ATOM 1309 N ASN A 87 -8.243 -14.122 -2.554 1.00 0.00 N ATOM 1310 CA ASN A 87 -8.333 -15.416 -1.888 1.00 0.00 C ATOM 1311 C ASN A 87 -9.696 -16.056 -2.139 1.00 0.00 C ATOM 1312 O ASN A 87 -9.805 -17.276 -2.262 1.00 0.00 O ATOM 1313 CB ASN A 87 -8.117 -15.246 -0.384 1.00 0.00 C ATOM 1314 CG ASN A 87 -6.682 -14.807 -0.109 1.00 0.00 C ATOM 1315 OD1 ASN A 87 -6.198 -13.765 -0.728 1.00 0.00 O flip ATOM 1316 ND2 ASN A 87 -5.983 -15.431 0.689 1.00 0.00 N flip ATOM 0 H ASN A 87 -8.179 -13.323 -1.923 1.00 0.00 H new ATOM 0 HA ASN A 87 -7.559 -16.066 -2.295 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -8.814 -14.507 0.011 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -8.324 -16.185 0.130 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -6.363 -16.245 1.172 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -5.024 -15.134 0.868 1.00 0.00 H new ATOM 1436 N SER B 2 -13.079 5.006 -8.792 1.00 0.00 N ATOM 1437 CA SER B 2 -12.450 3.698 -8.939 1.00 0.00 C ATOM 1438 C SER B 2 -10.931 3.826 -8.880 1.00 0.00 C ATOM 1439 O SER B 2 -10.208 3.058 -9.515 1.00 0.00 O ATOM 1440 CB SER B 2 -12.859 3.070 -10.271 1.00 0.00 C ATOM 1441 OG SER B 2 -14.249 2.776 -10.244 1.00 0.00 O ATOM 0 HA SER B 2 -12.782 3.060 -8.120 1.00 0.00 H new ATOM 0 HB2 SER B 2 -12.636 3.752 -11.092 1.00 0.00 H new ATOM 0 HB3 SER B 2 -12.286 2.160 -10.448 1.00 0.00 H new ATOM 0 HG SER B 2 -14.380 1.838 -9.994 1.00 0.00 H new ATOM 1447 N GLU B 3 -10.454 4.805 -8.118 1.00 0.00 N ATOM 1448 CA GLU B 3 -9.019 5.027 -7.987 1.00 0.00 C ATOM 1449 C GLU B 3 -8.376 3.928 -7.145 1.00 0.00 C ATOM 1450 O GLU B 3 -7.191 3.633 -7.296 1.00 0.00 O ATOM 1451 CB GLU B 3 -8.761 6.388 -7.335 1.00 0.00 C ATOM 1452 CG GLU B 3 -9.071 7.501 -8.339 1.00 0.00 C ATOM 1453 CD GLU B 3 -8.065 7.465 -9.485 1.00 0.00 C ATOM 1454 OE1 GLU B 3 -7.015 6.871 -9.307 1.00 0.00 O ATOM 1455 OE2 GLU B 3 -8.360 8.032 -10.524 1.00 0.00 O ATOM 0 H GLU B 3 -11.035 5.453 -7.586 1.00 0.00 H new ATOM 0 HA GLU B 3 -8.576 5.008 -8.983 1.00 0.00 H new ATOM 0 HB2 GLU B 3 -9.382 6.501 -6.447 1.00 0.00 H new ATOM 0 HB3 GLU B 3 -7.723 6.456 -7.009 1.00 0.00 H new ATOM 0 HG2 GLU B 3 -10.082 7.380 -8.728 1.00 0.00 H new ATOM 0 HG3 GLU B 3 -9.034 8.471 -7.842 1.00 0.00 H new ATOM 1462 N LEU B 4 -9.163 3.326 -6.260 1.00 0.00 N ATOM 1463 CA LEU B 4 -8.653 2.260 -5.404 1.00 0.00 C ATOM 1464 C LEU B 4 -8.480 0.976 -6.206 1.00 0.00 C ATOM 1465 O LEU B 4 -7.435 0.329 -6.137 1.00 0.00 O ATOM 1466 CB LEU B 4 -9.605 2.007 -4.226 1.00 0.00 C ATOM 1467 CG LEU B 4 -9.874 3.310 -3.456 1.00 0.00 C ATOM 1468 CD1 LEU B 4 -8.552 4.018 -3.148 1.00 0.00 C ATOM 1469 CD2 LEU B 4 -10.776 4.240 -4.281 1.00 0.00 C ATOM 0 H LEU B 4 -10.147 3.554 -6.117 1.00 0.00 H new ATOM 0 HA LEU B 4 -7.685 2.573 -5.013 1.00 0.00 H new ATOM 0 HB2 LEU B 4 -10.545 1.595 -4.593 1.00 0.00 H new ATOM 0 HB3 LEU B 4 -9.172 1.265 -3.555 1.00 0.00 H new ATOM 0 HG LEU B 4 -10.378 3.064 -2.521 1.00 0.00 H new ATOM 0 HD11 LEU B 4 -8.752 4.940 -2.602 1.00 0.00 H new ATOM 0 HD12 LEU B 4 -7.923 3.366 -2.541 1.00 0.00 H new ATOM 0 HD13 LEU B 4 -8.039 4.252 -4.081 1.00 0.00 H new ATOM 0 HD21 LEU B 4 -10.958 5.159 -3.724 1.00 0.00 H new ATOM 0 HD22 LEU B 4 -10.286 4.479 -5.225 1.00 0.00 H new ATOM 0 HD23 LEU B 4 -11.725 3.743 -4.481 1.00 0.00 H new ATOM 1481 N GLU B 5 -9.505 0.615 -6.972 1.00 0.00 N ATOM 1482 CA GLU B 5 -9.442 -0.595 -7.785 1.00 0.00 C ATOM 1483 C GLU B 5 -8.169 -0.589 -8.627 1.00 0.00 C ATOM 1484 O GLU B 5 -7.578 -1.638 -8.884 1.00 0.00 O ATOM 1485 CB GLU B 5 -10.685 -0.699 -8.691 1.00 0.00 C ATOM 1486 CG GLU B 5 -11.718 0.352 -8.277 1.00 0.00 C ATOM 1487 CD GLU B 5 -13.013 0.146 -9.054 1.00 0.00 C ATOM 1488 OE1 GLU B 5 -13.074 -0.797 -9.825 1.00 0.00 O ATOM 1489 OE2 GLU B 5 -13.924 0.936 -8.868 1.00 0.00 O ATOM 0 H GLU B 5 -10.379 1.136 -7.047 1.00 0.00 H new ATOM 0 HA GLU B 5 -9.425 -1.463 -7.125 1.00 0.00 H new ATOM 0 HB2 GLU B 5 -10.400 -0.552 -9.733 1.00 0.00 H new ATOM 0 HB3 GLU B 5 -11.118 -1.697 -8.617 1.00 0.00 H new ATOM 0 HG2 GLU B 5 -11.912 0.281 -7.207 1.00 0.00 H new ATOM 0 HG3 GLU B 5 -11.327 1.352 -8.465 1.00 0.00 H new ATOM 1496 N THR B 6 -7.748 0.601 -9.042 1.00 0.00 N ATOM 1497 CA THR B 6 -6.537 0.731 -9.840 1.00 0.00 C ATOM 1498 C THR B 6 -5.323 0.338 -9.007 1.00 0.00 C ATOM 1499 O THR B 6 -4.440 -0.379 -9.475 1.00 0.00 O ATOM 1500 CB THR B 6 -6.381 2.175 -10.326 1.00 0.00 C ATOM 1501 OG1 THR B 6 -7.597 2.605 -10.922 1.00 0.00 O ATOM 1502 CG2 THR B 6 -5.251 2.251 -11.354 1.00 0.00 C ATOM 0 H THR B 6 -8.223 1.481 -8.841 1.00 0.00 H new ATOM 0 HA THR B 6 -6.611 0.070 -10.703 1.00 0.00 H new ATOM 0 HB THR B 6 -6.142 2.820 -9.480 1.00 0.00 H new ATOM 0 HG1 THR B 6 -8.246 2.823 -10.221 1.00 0.00 H new ATOM 0 HG21 THR B 6 -5.141 3.279 -11.699 1.00 0.00 H new ATOM 0 HG22 THR B 6 -4.319 1.921 -10.895 1.00 0.00 H new ATOM 0 HG23 THR B 6 -5.486 1.607 -12.202 1.00 0.00 H new ATOM 1510 N ALA B 7 -5.295 0.807 -7.763 1.00 0.00 N ATOM 1511 CA ALA B 7 -4.193 0.494 -6.862 1.00 0.00 C ATOM 1512 C ALA B 7 -4.274 -0.962 -6.416 1.00 0.00 C ATOM 1513 O ALA B 7 -3.254 -1.631 -6.260 1.00 0.00 O ATOM 1514 CB ALA B 7 -4.239 1.410 -5.637 1.00 0.00 C ATOM 0 H ALA B 7 -6.018 1.401 -7.359 1.00 0.00 H new ATOM 0 HA ALA B 7 -3.254 0.652 -7.393 1.00 0.00 H new ATOM 0 HB1 ALA B 7 -3.411 1.168 -4.970 1.00 0.00 H new ATOM 0 HB2 ALA B 7 -4.156 2.449 -5.956 1.00 0.00 H new ATOM 0 HB3 ALA B 7 -5.183 1.267 -5.111 1.00 0.00 H new ATOM 1520 N MET B 8 -5.497 -1.446 -6.218 1.00 0.00 N ATOM 1521 CA MET B 8 -5.703 -2.825 -5.792 1.00 0.00 C ATOM 1522 C MET B 8 -4.951 -3.784 -6.711 1.00 0.00 C ATOM 1523 O MET B 8 -4.327 -4.739 -6.251 1.00 0.00 O ATOM 1524 CB MET B 8 -7.197 -3.163 -5.811 1.00 0.00 C ATOM 1525 CG MET B 8 -7.900 -2.458 -4.647 1.00 0.00 C ATOM 1526 SD MET B 8 -9.693 -2.657 -4.814 1.00 0.00 S ATOM 1527 CE MET B 8 -9.924 -3.871 -3.491 1.00 0.00 C ATOM 0 H MET B 8 -6.354 -0.908 -6.345 1.00 0.00 H new ATOM 0 HA MET B 8 -5.321 -2.934 -4.777 1.00 0.00 H new ATOM 0 HB2 MET B 8 -7.638 -2.851 -6.758 1.00 0.00 H new ATOM 0 HB3 MET B 8 -7.337 -4.241 -5.734 1.00 0.00 H new ATOM 0 HG2 MET B 8 -7.564 -2.876 -3.698 1.00 0.00 H new ATOM 0 HG3 MET B 8 -7.640 -1.399 -4.639 1.00 0.00 H new ATOM 0 HE1 MET B 8 -10.961 -3.850 -3.155 1.00 0.00 H new ATOM 0 HE2 MET B 8 -9.684 -4.866 -3.865 1.00 0.00 H new ATOM 0 HE3 MET B 8 -9.267 -3.629 -2.656 1.00 0.00 H new ATOM 1537 N GLU B 9 -5.017 -3.520 -8.012 1.00 0.00 N ATOM 1538 CA GLU B 9 -4.339 -4.364 -8.991 1.00 0.00 C ATOM 1539 C GLU B 9 -2.828 -4.155 -8.932 1.00 0.00 C ATOM 1540 O GLU B 9 -2.056 -5.102 -9.072 1.00 0.00 O ATOM 1541 CB GLU B 9 -4.845 -4.039 -10.398 1.00 0.00 C ATOM 1542 CG GLU B 9 -6.312 -4.455 -10.522 1.00 0.00 C ATOM 1543 CD GLU B 9 -6.797 -4.236 -11.951 1.00 0.00 C ATOM 1544 OE1 GLU B 9 -7.043 -3.094 -12.303 1.00 0.00 O ATOM 1545 OE2 GLU B 9 -6.918 -5.213 -12.671 1.00 0.00 O ATOM 0 H GLU B 9 -5.529 -2.734 -8.412 1.00 0.00 H new ATOM 0 HA GLU B 9 -4.558 -5.405 -8.755 1.00 0.00 H new ATOM 0 HB2 GLU B 9 -4.741 -2.972 -10.596 1.00 0.00 H new ATOM 0 HB3 GLU B 9 -4.244 -4.562 -11.142 1.00 0.00 H new ATOM 0 HG2 GLU B 9 -6.426 -5.504 -10.247 1.00 0.00 H new ATOM 0 HG3 GLU B 9 -6.923 -3.876 -9.829 1.00 0.00 H new ATOM 1552 N THR B 10 -2.413 -2.908 -8.726 1.00 0.00 N ATOM 1553 CA THR B 10 -0.991 -2.588 -8.654 1.00 0.00 C ATOM 1554 C THR B 10 -0.295 -3.461 -7.614 1.00 0.00 C ATOM 1555 O THR B 10 0.789 -3.992 -7.860 1.00 0.00 O ATOM 1556 CB THR B 10 -0.807 -1.112 -8.288 1.00 0.00 C ATOM 1557 OG1 THR B 10 -1.168 -0.304 -9.400 1.00 0.00 O ATOM 1558 CG2 THR B 10 0.655 -0.849 -7.916 1.00 0.00 C ATOM 0 H THR B 10 -3.035 -2.109 -8.607 1.00 0.00 H new ATOM 0 HA THR B 10 -0.545 -2.781 -9.630 1.00 0.00 H new ATOM 0 HB THR B 10 -1.442 -0.868 -7.436 1.00 0.00 H new ATOM 0 HG1 THR B 10 -2.145 -0.256 -9.466 1.00 0.00 H new ATOM 0 HG21 THR B 10 0.781 0.202 -7.656 1.00 0.00 H new ATOM 0 HG22 THR B 10 0.931 -1.469 -7.063 1.00 0.00 H new ATOM 0 HG23 THR B 10 1.296 -1.093 -8.764 1.00 0.00 H new ATOM 1566 N LEU B 11 -0.922 -3.601 -6.453 1.00 0.00 N ATOM 1567 CA LEU B 11 -0.352 -4.406 -5.380 1.00 0.00 C ATOM 1568 C LEU B 11 -0.438 -5.892 -5.716 1.00 0.00 C ATOM 1569 O LEU B 11 0.466 -6.663 -5.395 1.00 0.00 O ATOM 1570 CB LEU B 11 -1.099 -4.131 -4.073 1.00 0.00 C ATOM 1571 CG LEU B 11 -1.211 -2.619 -3.854 1.00 0.00 C ATOM 1572 CD1 LEU B 11 -2.145 -2.337 -2.671 1.00 0.00 C ATOM 1573 CD2 LEU B 11 0.178 -2.040 -3.563 1.00 0.00 C ATOM 0 H LEU B 11 -1.820 -3.171 -6.231 1.00 0.00 H new ATOM 0 HA LEU B 11 0.697 -4.135 -5.265 1.00 0.00 H new ATOM 0 HB2 LEU B 11 -2.092 -4.578 -4.109 1.00 0.00 H new ATOM 0 HB3 LEU B 11 -0.572 -4.592 -3.237 1.00 0.00 H new ATOM 0 HG LEU B 11 -1.617 -2.152 -4.752 1.00 0.00 H new ATOM 0 HD11 LEU B 11 -2.223 -1.261 -2.517 1.00 0.00 H new ATOM 0 HD12 LEU B 11 -3.133 -2.746 -2.882 1.00 0.00 H new ATOM 0 HD13 LEU B 11 -1.744 -2.804 -1.771 1.00 0.00 H new ATOM 0 HD21 LEU B 11 0.098 -0.964 -3.407 1.00 0.00 H new ATOM 0 HD22 LEU B 11 0.587 -2.507 -2.667 1.00 0.00 H new ATOM 0 HD23 LEU B 11 0.838 -2.236 -4.408 1.00 0.00 H new ATOM 1585 N ILE B 12 -1.530 -6.286 -6.361 1.00 0.00 N ATOM 1586 CA ILE B 12 -1.723 -7.683 -6.733 1.00 0.00 C ATOM 1587 C ILE B 12 -0.831 -8.058 -7.913 1.00 0.00 C ATOM 1588 O ILE B 12 -0.368 -9.193 -8.018 1.00 0.00 O ATOM 1589 CB ILE B 12 -3.187 -7.926 -7.104 1.00 0.00 C ATOM 1590 CG1 ILE B 12 -4.069 -7.692 -5.875 1.00 0.00 C ATOM 1591 CG2 ILE B 12 -3.358 -9.368 -7.587 1.00 0.00 C ATOM 1592 CD1 ILE B 12 -5.528 -7.555 -6.314 1.00 0.00 C ATOM 0 H ILE B 12 -2.290 -5.664 -6.636 1.00 0.00 H new ATOM 0 HA ILE B 12 -1.453 -8.304 -5.879 1.00 0.00 H new ATOM 0 HB ILE B 12 -3.480 -7.240 -7.898 1.00 0.00 H new ATOM 0 HG12 ILE B 12 -3.965 -8.522 -5.176 1.00 0.00 H new ATOM 0 HG13 ILE B 12 -3.750 -6.791 -5.351 1.00 0.00 H new ATOM 0 HG21 ILE B 12 -4.401 -9.542 -7.852 1.00 0.00 H new ATOM 0 HG22 ILE B 12 -2.729 -9.536 -8.461 1.00 0.00 H new ATOM 0 HG23 ILE B 12 -3.066 -10.055 -6.793 1.00 0.00 H new ATOM 0 HD11 ILE B 12 -6.157 -7.388 -5.440 1.00 0.00 H new ATOM 0 HD12 ILE B 12 -5.625 -6.711 -6.997 1.00 0.00 H new ATOM 0 HD13 ILE B 12 -5.843 -8.468 -6.819 1.00 0.00 H new ATOM 1604 N ASN B 13 -0.602 -7.098 -8.804 1.00 0.00 N ATOM 1605 CA ASN B 13 0.230 -7.340 -9.979 1.00 0.00 C ATOM 1606 C ASN B 13 1.699 -7.481 -9.591 1.00 0.00 C ATOM 1607 O ASN B 13 2.331 -8.498 -9.883 1.00 0.00 O ATOM 1608 CB ASN B 13 0.073 -6.188 -10.973 1.00 0.00 C ATOM 1609 CG ASN B 13 -1.361 -6.139 -11.491 1.00 0.00 C ATOM 1610 OD1 ASN B 13 -1.947 -5.061 -11.597 1.00 0.00 O ATOM 1611 ND2 ASN B 13 -1.963 -7.248 -11.825 1.00 0.00 N ATOM 0 H ASN B 13 -0.977 -6.152 -8.736 1.00 0.00 H new ATOM 0 HA ASN B 13 -0.097 -8.272 -10.440 1.00 0.00 H new ATOM 0 HB2 ASN B 13 0.327 -5.244 -10.491 1.00 0.00 H new ATOM 0 HB3 ASN B 13 0.765 -6.318 -11.805 1.00 0.00 H new ATOM 0 HD21 ASN B 13 -2.921 -7.223 -12.175 1.00 0.00 H new ATOM 0 HD22 ASN B 13 -1.476 -8.140 -11.736 1.00 0.00 H new ATOM 1618 N VAL B 14 2.238 -6.457 -8.938 1.00 0.00 N ATOM 1619 CA VAL B 14 3.637 -6.484 -8.523 1.00 0.00 C ATOM 1620 C VAL B 14 3.939 -7.755 -7.738 1.00 0.00 C ATOM 1621 O VAL B 14 5.024 -8.327 -7.857 1.00 0.00 O ATOM 1622 CB VAL B 14 3.950 -5.261 -7.659 1.00 0.00 C ATOM 1623 CG1 VAL B 14 3.239 -5.391 -6.312 1.00 0.00 C ATOM 1624 CG2 VAL B 14 5.461 -5.173 -7.432 1.00 0.00 C ATOM 0 H VAL B 14 1.734 -5.606 -8.686 1.00 0.00 H new ATOM 0 HA VAL B 14 4.261 -6.466 -9.416 1.00 0.00 H new ATOM 0 HB VAL B 14 3.604 -4.360 -8.165 1.00 0.00 H new ATOM 0 HG11 VAL B 14 3.463 -4.519 -5.697 1.00 0.00 H new ATOM 0 HG12 VAL B 14 2.163 -5.455 -6.473 1.00 0.00 H new ATOM 0 HG13 VAL B 14 3.584 -6.292 -5.804 1.00 0.00 H new ATOM 0 HG21 VAL B 14 5.686 -4.302 -6.817 1.00 0.00 H new ATOM 0 HG22 VAL B 14 5.806 -6.074 -6.925 1.00 0.00 H new ATOM 0 HG23 VAL B 14 5.968 -5.080 -8.392 1.00 0.00 H new ATOM 1634 N PHE B 15 2.975 -8.196 -6.938 1.00 0.00 N ATOM 1635 CA PHE B 15 3.151 -9.403 -6.139 1.00 0.00 C ATOM 1636 C PHE B 15 3.115 -10.642 -7.028 1.00 0.00 C ATOM 1637 O PHE B 15 3.906 -11.568 -6.850 1.00 0.00 O ATOM 1638 CB PHE B 15 2.047 -9.498 -5.084 1.00 0.00 C ATOM 1639 CG PHE B 15 2.101 -10.852 -4.419 1.00 0.00 C ATOM 1640 CD1 PHE B 15 3.020 -11.088 -3.388 1.00 0.00 C ATOM 1641 CD2 PHE B 15 1.234 -11.870 -4.831 1.00 0.00 C ATOM 1642 CE1 PHE B 15 3.071 -12.344 -2.771 1.00 0.00 C ATOM 1643 CE2 PHE B 15 1.286 -13.126 -4.214 1.00 0.00 C ATOM 1644 CZ PHE B 15 2.204 -13.362 -3.183 1.00 0.00 C ATOM 0 H PHE B 15 2.070 -7.740 -6.826 1.00 0.00 H new ATOM 0 HA PHE B 15 4.121 -9.351 -5.645 1.00 0.00 H new ATOM 0 HB2 PHE B 15 2.171 -8.711 -4.340 1.00 0.00 H new ATOM 0 HB3 PHE B 15 1.072 -9.347 -5.548 1.00 0.00 H new ATOM 0 HD1 PHE B 15 3.688 -10.302 -3.069 1.00 0.00 H new ATOM 0 HD2 PHE B 15 0.525 -11.687 -5.625 1.00 0.00 H new ATOM 0 HE1 PHE B 15 3.780 -12.527 -1.977 1.00 0.00 H new ATOM 0 HE2 PHE B 15 0.618 -13.913 -4.533 1.00 0.00 H new ATOM 0 HZ PHE B 15 2.243 -14.330 -2.706 1.00 0.00 H new ATOM 1654 N HIS B 16 2.193 -10.650 -7.984 1.00 0.00 N ATOM 1655 CA HIS B 16 2.063 -11.780 -8.896 1.00 0.00 C ATOM 1656 C HIS B 16 3.364 -12.004 -9.660 1.00 0.00 C ATOM 1657 O HIS B 16 3.749 -13.141 -9.930 1.00 0.00 O ATOM 1658 CB HIS B 16 0.925 -11.522 -9.887 1.00 0.00 C ATOM 1659 CG HIS B 16 0.845 -12.662 -10.864 1.00 0.00 C ATOM 1660 ND1 HIS B 16 1.744 -12.805 -11.908 1.00 0.00 N ATOM 1661 CD2 HIS B 16 -0.024 -13.719 -10.969 1.00 0.00 C ATOM 1662 CE1 HIS B 16 1.400 -13.913 -12.590 1.00 0.00 C ATOM 1663 NE2 HIS B 16 0.329 -14.508 -12.060 1.00 0.00 N ATOM 0 H HIS B 16 1.529 -9.893 -8.147 1.00 0.00 H new ATOM 0 HA HIS B 16 1.840 -12.672 -8.311 1.00 0.00 H new ATOM 0 HB2 HIS B 16 -0.020 -11.419 -9.354 1.00 0.00 H new ATOM 0 HB3 HIS B 16 1.095 -10.585 -10.418 1.00 0.00 H new ATOM 0 HD2 HIS B 16 -0.855 -13.910 -10.306 1.00 0.00 H new ATOM 0 HE1 HIS B 16 1.926 -14.277 -13.460 1.00 0.00 H new ATOM 0 HE2 HIS B 16 -0.132 -15.358 -12.385 1.00 0.00 H new ATOM 1671 N ALA B 17 4.036 -10.911 -10.006 1.00 0.00 N ATOM 1672 CA ALA B 17 5.294 -10.999 -10.740 1.00 0.00 C ATOM 1673 C ALA B 17 6.301 -11.853 -9.976 1.00 0.00 C ATOM 1674 O ALA B 17 7.084 -12.591 -10.575 1.00 0.00 O ATOM 1675 CB ALA B 17 5.871 -9.599 -10.958 1.00 0.00 C ATOM 0 H ALA B 17 3.734 -9.961 -9.792 1.00 0.00 H new ATOM 0 HA ALA B 17 5.098 -11.465 -11.706 1.00 0.00 H new ATOM 0 HB1 ALA B 17 6.810 -9.674 -11.507 1.00 0.00 H new ATOM 0 HB2 ALA B 17 5.163 -8.999 -11.530 1.00 0.00 H new ATOM 0 HB3 ALA B 17 6.051 -9.125 -9.993 1.00 0.00 H new ATOM 1681 N HIS B 18 6.275 -11.748 -8.652 1.00 0.00 N ATOM 1682 CA HIS B 18 7.192 -12.517 -7.817 1.00 0.00 C ATOM 1683 C HIS B 18 6.768 -13.981 -7.764 1.00 0.00 C ATOM 1684 O HIS B 18 7.039 -14.748 -8.687 1.00 0.00 O ATOM 1685 CB HIS B 18 7.216 -11.938 -6.401 1.00 0.00 C ATOM 1686 CG HIS B 18 8.064 -10.697 -6.382 1.00 0.00 C ATOM 1687 ND1 HIS B 18 9.363 -10.680 -6.864 1.00 0.00 N ATOM 1688 CD2 HIS B 18 7.811 -9.421 -5.939 1.00 0.00 C ATOM 1689 CE1 HIS B 18 9.839 -9.433 -6.703 1.00 0.00 C ATOM 1690 NE2 HIS B 18 8.934 -8.624 -6.144 1.00 0.00 N ATOM 0 H HIS B 18 5.635 -11.144 -8.137 1.00 0.00 H new ATOM 0 HA HIS B 18 8.190 -12.456 -8.252 1.00 0.00 H new ATOM 0 HB2 HIS B 18 6.203 -11.704 -6.075 1.00 0.00 H new ATOM 0 HB3 HIS B 18 7.614 -12.674 -5.702 1.00 0.00 H new ATOM 0 HD1 HIS B 18 9.867 -11.470 -7.268 1.00 0.00 H new ATOM 0 HD2 HIS B 18 6.883 -9.087 -5.499 1.00 0.00 H new ATOM 0 HE1 HIS B 18 10.833 -9.123 -6.991 1.00 0.00 H new ATOM 1698 N SER B 19 6.101 -14.362 -6.678 1.00 0.00 N ATOM 1699 CA SER B 19 5.639 -15.739 -6.510 1.00 0.00 C ATOM 1700 C SER B 19 4.122 -15.781 -6.366 1.00 0.00 C ATOM 1701 O SER B 19 3.534 -14.977 -5.641 1.00 0.00 O ATOM 1702 CB SER B 19 6.287 -16.356 -5.270 1.00 0.00 C ATOM 1703 OG SER B 19 7.700 -16.252 -5.377 1.00 0.00 O ATOM 0 H SER B 19 5.868 -13.740 -5.903 1.00 0.00 H new ATOM 0 HA SER B 19 5.924 -16.310 -7.394 1.00 0.00 H new ATOM 0 HB2 SER B 19 5.940 -15.845 -4.372 1.00 0.00 H new ATOM 0 HB3 SER B 19 5.994 -17.402 -5.175 1.00 0.00 H new ATOM 0 HG SER B 19 8.118 -16.645 -4.583 1.00 0.00 H new ATOM 1709 N GLY B 20 3.492 -16.723 -7.062 1.00 0.00 N ATOM 1710 CA GLY B 20 2.039 -16.865 -7.008 1.00 0.00 C ATOM 1711 C GLY B 20 1.646 -18.195 -6.373 1.00 0.00 C ATOM 1712 O GLY B 20 0.756 -18.250 -5.525 1.00 0.00 O ATOM 0 H GLY B 20 3.961 -17.397 -7.667 1.00 0.00 H new ATOM 0 HA2 GLY B 20 1.610 -16.043 -6.435 1.00 0.00 H new ATOM 0 HA3 GLY B 20 1.626 -16.802 -8.015 1.00 0.00 H new ATOM 1716 N LYS B 21 2.317 -19.264 -6.791 1.00 0.00 N ATOM 1717 CA LYS B 21 2.032 -20.592 -6.256 1.00 0.00 C ATOM 1718 C LYS B 21 2.997 -20.932 -5.127 1.00 0.00 C ATOM 1719 O LYS B 21 3.335 -22.096 -4.915 1.00 0.00 O ATOM 1720 CB LYS B 21 2.153 -21.635 -7.365 1.00 0.00 C ATOM 1721 CG LYS B 21 1.352 -22.882 -6.986 1.00 0.00 C ATOM 1722 CD LYS B 21 1.518 -23.946 -8.074 1.00 0.00 C ATOM 1723 CE LYS B 21 0.541 -25.095 -7.819 1.00 0.00 C ATOM 1724 NZ LYS B 21 0.546 -26.020 -8.987 1.00 0.00 N ATOM 0 H LYS B 21 3.056 -19.238 -7.493 1.00 0.00 H new ATOM 0 HA LYS B 21 1.016 -20.596 -5.862 1.00 0.00 H new ATOM 0 HB2 LYS B 21 1.784 -21.225 -8.305 1.00 0.00 H new ATOM 0 HB3 LYS B 21 3.200 -21.896 -7.520 1.00 0.00 H new ATOM 0 HG2 LYS B 21 1.696 -23.270 -6.027 1.00 0.00 H new ATOM 0 HG3 LYS B 21 0.298 -22.629 -6.868 1.00 0.00 H new ATOM 0 HD2 LYS B 21 1.334 -23.509 -9.056 1.00 0.00 H new ATOM 0 HD3 LYS B 21 2.542 -24.320 -8.079 1.00 0.00 H new ATOM 0 HE2 LYS B 21 0.824 -25.633 -6.914 1.00 0.00 H new ATOM 0 HE3 LYS B 21 -0.463 -24.703 -7.656 1.00 0.00 H new ATOM 0 HZ1 LYS B 21 -0.118 -26.801 -8.814 1.00 0.00 H new ATOM 0 HZ2 LYS B 21 0.256 -25.502 -9.841 1.00 0.00 H new ATOM 0 HZ3 LYS B 21 1.503 -26.403 -9.122 1.00 0.00 H new ATOM 1837 N LEU B 28 7.715 -13.303 3.291 1.00 0.00 N ATOM 1838 CA LEU B 28 8.636 -12.429 2.568 1.00 0.00 C ATOM 1839 C LEU B 28 9.727 -11.911 3.502 1.00 0.00 C ATOM 1840 O LEU B 28 9.449 -11.170 4.443 1.00 0.00 O ATOM 1841 CB LEU B 28 7.871 -11.241 1.976 1.00 0.00 C ATOM 1842 CG LEU B 28 7.037 -11.702 0.773 1.00 0.00 C ATOM 1843 CD1 LEU B 28 5.817 -10.794 0.618 1.00 0.00 C ATOM 1844 CD2 LEU B 28 7.884 -11.631 -0.499 1.00 0.00 C ATOM 0 HA LEU B 28 9.098 -13.004 1.766 1.00 0.00 H new ATOM 0 HB2 LEU B 28 7.221 -10.802 2.733 1.00 0.00 H new ATOM 0 HB3 LEU B 28 8.571 -10.464 1.668 1.00 0.00 H new ATOM 0 HG LEU B 28 6.711 -12.729 0.936 1.00 0.00 H new ATOM 0 HD11 LEU B 28 5.225 -11.122 -0.237 1.00 0.00 H new ATOM 0 HD12 LEU B 28 5.209 -10.844 1.521 1.00 0.00 H new ATOM 0 HD13 LEU B 28 6.146 -9.767 0.459 1.00 0.00 H new ATOM 0 HD21 LEU B 28 7.289 -11.959 -1.351 1.00 0.00 H new ATOM 0 HD22 LEU B 28 8.213 -10.604 -0.660 1.00 0.00 H new ATOM 0 HD23 LEU B 28 8.754 -12.279 -0.393 1.00 0.00 H new ATOM 1856 N SER B 29 10.970 -12.301 3.233 1.00 0.00 N ATOM 1857 CA SER B 29 12.092 -11.864 4.058 1.00 0.00 C ATOM 1858 C SER B 29 12.375 -10.381 3.832 1.00 0.00 C ATOM 1859 O SER B 29 11.862 -9.781 2.888 1.00 0.00 O ATOM 1860 CB SER B 29 13.340 -12.680 3.718 1.00 0.00 C ATOM 1861 OG SER B 29 14.478 -12.066 4.308 1.00 0.00 O ATOM 0 H SER B 29 11.224 -12.913 2.458 1.00 0.00 H new ATOM 0 HA SER B 29 11.832 -12.019 5.105 1.00 0.00 H new ATOM 0 HB2 SER B 29 13.232 -13.701 4.085 1.00 0.00 H new ATOM 0 HB3 SER B 29 13.465 -12.741 2.637 1.00 0.00 H new ATOM 0 HG SER B 29 15.279 -12.588 4.093 1.00 0.00 H new ATOM 1867 N LYS B 30 13.188 -9.793 4.706 1.00 0.00 N ATOM 1868 CA LYS B 30 13.520 -8.375 4.585 1.00 0.00 C ATOM 1869 C LYS B 30 13.981 -8.040 3.167 1.00 0.00 C ATOM 1870 O LYS B 30 13.534 -7.058 2.575 1.00 0.00 O ATOM 1871 CB LYS B 30 14.619 -8.005 5.592 1.00 0.00 C ATOM 1872 CG LYS B 30 16.001 -8.400 5.049 1.00 0.00 C ATOM 1873 CD LYS B 30 17.059 -8.227 6.145 1.00 0.00 C ATOM 1874 CE LYS B 30 18.417 -7.911 5.511 1.00 0.00 C ATOM 1875 NZ LYS B 30 18.523 -8.599 4.194 1.00 0.00 N ATOM 0 H LYS B 30 13.624 -10.268 5.496 1.00 0.00 H new ATOM 0 HA LYS B 30 12.622 -7.795 4.800 1.00 0.00 H new ATOM 0 HB2 LYS B 30 14.592 -6.934 5.791 1.00 0.00 H new ATOM 0 HB3 LYS B 30 14.436 -8.510 6.541 1.00 0.00 H new ATOM 0 HG2 LYS B 30 15.985 -9.435 4.706 1.00 0.00 H new ATOM 0 HG3 LYS B 30 16.253 -7.783 4.187 1.00 0.00 H new ATOM 0 HD2 LYS B 30 16.767 -7.423 6.821 1.00 0.00 H new ATOM 0 HD3 LYS B 30 17.129 -9.136 6.742 1.00 0.00 H new ATOM 0 HE2 LYS B 30 18.528 -6.834 5.381 1.00 0.00 H new ATOM 0 HE3 LYS B 30 19.222 -8.237 6.169 1.00 0.00 H new ATOM 0 HZ1 LYS B 30 19.521 -8.645 3.906 1.00 0.00 H new ATOM 0 HZ2 LYS B 30 18.141 -9.563 4.274 1.00 0.00 H new ATOM 0 HZ3 LYS B 30 17.981 -8.070 3.481 1.00 0.00 H new ATOM 1889 N LYS B 31 14.887 -8.855 2.634 1.00 0.00 N ATOM 1890 CA LYS B 31 15.412 -8.626 1.291 1.00 0.00 C ATOM 1891 C LYS B 31 14.288 -8.563 0.263 1.00 0.00 C ATOM 1892 O LYS B 31 14.225 -7.639 -0.547 1.00 0.00 O ATOM 1893 CB LYS B 31 16.373 -9.755 0.909 1.00 0.00 C ATOM 1894 CG LYS B 31 17.548 -9.783 1.888 1.00 0.00 C ATOM 1895 CD LYS B 31 18.546 -10.860 1.458 1.00 0.00 C ATOM 1896 CE LYS B 31 19.617 -11.024 2.537 1.00 0.00 C ATOM 1897 NZ LYS B 31 20.587 -9.896 2.449 1.00 0.00 N ATOM 0 H LYS B 31 15.270 -9.673 3.107 1.00 0.00 H new ATOM 0 HA LYS B 31 15.937 -7.671 1.295 1.00 0.00 H new ATOM 0 HB2 LYS B 31 15.851 -10.712 0.925 1.00 0.00 H new ATOM 0 HB3 LYS B 31 16.737 -9.608 -0.108 1.00 0.00 H new ATOM 0 HG2 LYS B 31 18.037 -8.809 1.914 1.00 0.00 H new ATOM 0 HG3 LYS B 31 17.189 -9.987 2.897 1.00 0.00 H new ATOM 0 HD2 LYS B 31 18.029 -11.806 1.297 1.00 0.00 H new ATOM 0 HD3 LYS B 31 19.009 -10.584 0.510 1.00 0.00 H new ATOM 0 HE2 LYS B 31 19.154 -11.044 3.524 1.00 0.00 H new ATOM 0 HE3 LYS B 31 20.135 -11.974 2.409 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 20.923 -9.652 3.402 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 21.395 -10.179 1.859 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 20.120 -9.069 2.024 1.00 0.00 H new ATOM 1911 N GLU B 32 13.412 -9.559 0.292 1.00 0.00 N ATOM 1912 CA GLU B 32 12.303 -9.620 -0.652 1.00 0.00 C ATOM 1913 C GLU B 32 11.558 -8.289 -0.734 1.00 0.00 C ATOM 1914 O GLU B 32 11.411 -7.723 -1.817 1.00 0.00 O ATOM 1915 CB GLU B 32 11.335 -10.731 -0.243 1.00 0.00 C ATOM 1916 CG GLU B 32 11.931 -12.087 -0.626 1.00 0.00 C ATOM 1917 CD GLU B 32 11.116 -13.214 0.000 1.00 0.00 C ATOM 1918 OE1 GLU B 32 11.270 -13.443 1.188 1.00 0.00 O ATOM 1919 OE2 GLU B 32 10.351 -13.836 -0.721 1.00 0.00 O ATOM 0 H GLU B 32 13.447 -10.333 0.956 1.00 0.00 H new ATOM 0 HA GLU B 32 12.715 -9.834 -1.638 1.00 0.00 H new ATOM 0 HB2 GLU B 32 11.151 -10.692 0.831 1.00 0.00 H new ATOM 0 HB3 GLU B 32 10.373 -10.591 -0.736 1.00 0.00 H new ATOM 0 HG2 GLU B 32 11.942 -12.195 -1.711 1.00 0.00 H new ATOM 0 HG3 GLU B 32 12.966 -12.146 -0.289 1.00 0.00 H new ATOM 1926 N LEU B 33 11.078 -7.798 0.405 1.00 0.00 N ATOM 1927 CA LEU B 33 10.337 -6.538 0.423 1.00 0.00 C ATOM 1928 C LEU B 33 11.245 -5.357 0.086 1.00 0.00 C ATOM 1929 O LEU B 33 10.971 -4.603 -0.848 1.00 0.00 O ATOM 1930 CB LEU B 33 9.702 -6.319 1.800 1.00 0.00 C ATOM 1931 CG LEU B 33 8.452 -5.444 1.654 1.00 0.00 C ATOM 1932 CD1 LEU B 33 7.782 -5.269 3.020 1.00 0.00 C ATOM 1933 CD2 LEU B 33 8.850 -4.074 1.100 1.00 0.00 C ATOM 0 H LEU B 33 11.186 -8.245 1.316 1.00 0.00 H new ATOM 0 HA LEU B 33 9.556 -6.600 -0.334 1.00 0.00 H new ATOM 0 HB2 LEU B 33 9.438 -7.277 2.247 1.00 0.00 H new ATOM 0 HB3 LEU B 33 10.417 -5.841 2.470 1.00 0.00 H new ATOM 0 HG LEU B 33 7.753 -5.924 0.969 1.00 0.00 H new ATOM 0 HD11 LEU B 33 6.894 -4.646 2.913 1.00 0.00 H new ATOM 0 HD12 LEU B 33 7.496 -6.245 3.413 1.00 0.00 H new ATOM 0 HD13 LEU B 33 8.479 -4.791 3.708 1.00 0.00 H new ATOM 0 HD21 LEU B 33 7.961 -3.451 0.996 1.00 0.00 H new ATOM 0 HD22 LEU B 33 9.551 -3.595 1.784 1.00 0.00 H new ATOM 0 HD23 LEU B 33 9.322 -4.199 0.125 1.00 0.00 H new ATOM 1945 N LYS B 34 12.321 -5.194 0.850 1.00 0.00 N ATOM 1946 CA LYS B 34 13.249 -4.094 0.615 1.00 0.00 C ATOM 1947 C LYS B 34 13.653 -4.035 -0.855 1.00 0.00 C ATOM 1948 O LYS B 34 13.628 -2.974 -1.478 1.00 0.00 O ATOM 1949 CB LYS B 34 14.495 -4.277 1.483 1.00 0.00 C ATOM 1950 CG LYS B 34 15.478 -3.137 1.223 1.00 0.00 C ATOM 1951 CD LYS B 34 16.693 -3.307 2.134 1.00 0.00 C ATOM 1952 CE LYS B 34 17.552 -2.043 2.080 1.00 0.00 C ATOM 1953 NZ LYS B 34 18.263 -1.979 0.771 1.00 0.00 N ATOM 0 H LYS B 34 12.570 -5.803 1.629 1.00 0.00 H new ATOM 0 HA LYS B 34 12.753 -3.159 0.878 1.00 0.00 H new ATOM 0 HB2 LYS B 34 14.216 -4.296 2.537 1.00 0.00 H new ATOM 0 HB3 LYS B 34 14.967 -5.234 1.261 1.00 0.00 H new ATOM 0 HG2 LYS B 34 15.788 -3.139 0.178 1.00 0.00 H new ATOM 0 HG3 LYS B 34 14.998 -2.177 1.411 1.00 0.00 H new ATOM 0 HD2 LYS B 34 16.370 -3.496 3.158 1.00 0.00 H new ATOM 0 HD3 LYS B 34 17.278 -4.171 1.820 1.00 0.00 H new ATOM 0 HE2 LYS B 34 16.926 -1.160 2.209 1.00 0.00 H new ATOM 0 HE3 LYS B 34 18.273 -2.046 2.898 1.00 0.00 H new ATOM 0 HZ1 LYS B 34 19.280 -1.834 0.935 1.00 0.00 H new ATOM 0 HZ2 LYS B 34 18.119 -2.870 0.254 1.00 0.00 H new ATOM 0 HZ3 LYS B 34 17.887 -1.188 0.210 1.00 0.00 H new ATOM 1967 N GLU B 35 14.027 -5.187 -1.399 1.00 0.00 N ATOM 1968 CA GLU B 35 14.442 -5.278 -2.795 1.00 0.00 C ATOM 1969 C GLU B 35 13.270 -5.023 -3.738 1.00 0.00 C ATOM 1970 O GLU B 35 13.450 -4.508 -4.840 1.00 0.00 O ATOM 1971 CB GLU B 35 15.031 -6.661 -3.076 1.00 0.00 C ATOM 1972 CG GLU B 35 16.289 -6.863 -2.228 1.00 0.00 C ATOM 1973 CD GLU B 35 17.455 -6.089 -2.835 1.00 0.00 C ATOM 1974 OE1 GLU B 35 17.382 -5.772 -4.010 1.00 0.00 O ATOM 1975 OE2 GLU B 35 18.404 -5.826 -2.115 1.00 0.00 O ATOM 0 H GLU B 35 14.052 -6.073 -0.894 1.00 0.00 H new ATOM 0 HA GLU B 35 15.198 -4.513 -2.971 1.00 0.00 H new ATOM 0 HB2 GLU B 35 14.297 -7.434 -2.847 1.00 0.00 H new ATOM 0 HB3 GLU B 35 15.274 -6.756 -4.134 1.00 0.00 H new ATOM 0 HG2 GLU B 35 16.108 -6.524 -1.208 1.00 0.00 H new ATOM 0 HG3 GLU B 35 16.535 -7.924 -2.173 1.00 0.00 H new ATOM 1982 N LEU B 36 12.073 -5.412 -3.310 1.00 0.00 N ATOM 1983 CA LEU B 36 10.882 -5.247 -4.141 1.00 0.00 C ATOM 1984 C LEU B 36 10.783 -3.831 -4.699 1.00 0.00 C ATOM 1985 O LEU B 36 10.709 -3.643 -5.912 1.00 0.00 O ATOM 1986 CB LEU B 36 9.625 -5.548 -3.312 1.00 0.00 C ATOM 1987 CG LEU B 36 8.393 -5.648 -4.228 1.00 0.00 C ATOM 1988 CD1 LEU B 36 7.331 -6.514 -3.555 1.00 0.00 C ATOM 1989 CD2 LEU B 36 7.797 -4.259 -4.499 1.00 0.00 C ATOM 0 H LEU B 36 11.901 -5.840 -2.400 1.00 0.00 H new ATOM 0 HA LEU B 36 10.959 -5.944 -4.976 1.00 0.00 H new ATOM 0 HB2 LEU B 36 9.757 -6.482 -2.765 1.00 0.00 H new ATOM 0 HB3 LEU B 36 9.473 -4.763 -2.571 1.00 0.00 H new ATOM 0 HG LEU B 36 8.704 -6.091 -5.174 1.00 0.00 H new ATOM 0 HD11 LEU B 36 6.457 -6.586 -4.202 1.00 0.00 H new ATOM 0 HD12 LEU B 36 7.734 -7.511 -3.377 1.00 0.00 H new ATOM 0 HD13 LEU B 36 7.043 -6.064 -2.605 1.00 0.00 H new ATOM 0 HD21 LEU B 36 6.927 -4.357 -5.149 1.00 0.00 H new ATOM 0 HD22 LEU B 36 7.496 -3.802 -3.556 1.00 0.00 H new ATOM 0 HD23 LEU B 36 8.544 -3.631 -4.984 1.00 0.00 H new ATOM 2001 N LEU B 37 10.759 -2.838 -3.820 1.00 0.00 N ATOM 2002 CA LEU B 37 10.641 -1.455 -4.270 1.00 0.00 C ATOM 2003 C LEU B 37 11.938 -0.976 -4.914 1.00 0.00 C ATOM 2004 O LEU B 37 11.933 -0.464 -6.032 1.00 0.00 O ATOM 2005 CB LEU B 37 10.260 -0.523 -3.107 1.00 0.00 C ATOM 2006 CG LEU B 37 9.545 -1.310 -1.990 1.00 0.00 C ATOM 2007 CD1 LEU B 37 10.542 -1.672 -0.885 1.00 0.00 C ATOM 2008 CD2 LEU B 37 8.427 -0.449 -1.398 1.00 0.00 C ATOM 0 H LEU B 37 10.818 -2.958 -2.809 1.00 0.00 H new ATOM 0 HA LEU B 37 9.847 -1.423 -5.016 1.00 0.00 H new ATOM 0 HB2 LEU B 37 11.155 -0.047 -2.707 1.00 0.00 H new ATOM 0 HB3 LEU B 37 9.611 0.274 -3.470 1.00 0.00 H new ATOM 0 HG LEU B 37 9.125 -2.224 -2.410 1.00 0.00 H new ATOM 0 HD11 LEU B 37 10.029 -2.228 -0.100 1.00 0.00 H new ATOM 0 HD12 LEU B 37 11.340 -2.286 -1.302 1.00 0.00 H new ATOM 0 HD13 LEU B 37 10.967 -0.760 -0.466 1.00 0.00 H new ATOM 0 HD21 LEU B 37 7.920 -1.003 -0.608 1.00 0.00 H new ATOM 0 HD22 LEU B 37 8.852 0.465 -0.984 1.00 0.00 H new ATOM 0 HD23 LEU B 37 7.711 -0.195 -2.180 1.00 0.00 H new ATOM 2020 N GLN B 38 13.046 -1.139 -4.202 1.00 0.00 N ATOM 2021 CA GLN B 38 14.339 -0.705 -4.719 1.00 0.00 C ATOM 2022 C GLN B 38 14.542 -1.203 -6.141 1.00 0.00 C ATOM 2023 O GLN B 38 14.963 -0.450 -7.015 1.00 0.00 O ATOM 2024 CB GLN B 38 15.456 -1.228 -3.823 1.00 0.00 C ATOM 2025 CG GLN B 38 15.332 -0.572 -2.452 1.00 0.00 C ATOM 2026 CD GLN B 38 16.390 -1.128 -1.507 1.00 0.00 C ATOM 2027 OE1 GLN B 38 16.481 -0.701 -0.355 1.00 0.00 O ATOM 2028 NE2 GLN B 38 17.203 -2.059 -1.926 1.00 0.00 N ATOM 0 H GLN B 38 13.077 -1.564 -3.275 1.00 0.00 H new ATOM 0 HA GLN B 38 14.362 0.385 -4.727 1.00 0.00 H new ATOM 0 HB2 GLN B 38 15.390 -2.312 -3.730 1.00 0.00 H new ATOM 0 HB3 GLN B 38 16.428 -1.005 -4.262 1.00 0.00 H new ATOM 0 HG2 GLN B 38 15.448 0.508 -2.545 1.00 0.00 H new ATOM 0 HG3 GLN B 38 14.338 -0.752 -2.043 1.00 0.00 H new ATOM 0 HE21 GLN B 38 17.126 -2.411 -2.880 1.00 0.00 H new ATOM 0 HE22 GLN B 38 17.915 -2.434 -1.299 1.00 0.00 H new ATOM 2037 N THR B 39 14.231 -2.467 -6.373 1.00 0.00 N ATOM 2038 CA THR B 39 14.376 -3.031 -7.704 1.00 0.00 C ATOM 2039 C THR B 39 13.415 -2.335 -8.664 1.00 0.00 C ATOM 2040 O THR B 39 13.688 -2.218 -9.859 1.00 0.00 O ATOM 2041 CB THR B 39 14.100 -4.535 -7.668 1.00 0.00 C ATOM 2042 OG1 THR B 39 12.847 -4.773 -7.046 1.00 0.00 O ATOM 2043 CG2 THR B 39 15.204 -5.232 -6.871 1.00 0.00 C ATOM 0 H THR B 39 13.881 -3.115 -5.667 1.00 0.00 H new ATOM 0 HA THR B 39 15.397 -2.875 -8.053 1.00 0.00 H new ATOM 0 HB THR B 39 14.079 -4.926 -8.685 1.00 0.00 H new ATOM 0 HG1 THR B 39 12.126 -4.478 -7.640 1.00 0.00 H new ATOM 0 HG21 THR B 39 15.011 -6.304 -6.843 1.00 0.00 H new ATOM 0 HG22 THR B 39 16.167 -5.049 -7.347 1.00 0.00 H new ATOM 0 HG23 THR B 39 15.222 -4.840 -5.854 1.00 0.00 H new ATOM 2051 N GLU B 40 12.293 -1.864 -8.124 1.00 0.00 N ATOM 2052 CA GLU B 40 11.295 -1.167 -8.932 1.00 0.00 C ATOM 2053 C GLU B 40 11.688 0.298 -9.138 1.00 0.00 C ATOM 2054 O GLU B 40 11.701 0.783 -10.269 1.00 0.00 O ATOM 2055 CB GLU B 40 9.918 -1.230 -8.249 1.00 0.00 C ATOM 2056 CG GLU B 40 9.298 -2.654 -8.303 1.00 0.00 C ATOM 2057 CD GLU B 40 10.269 -3.693 -8.864 1.00 0.00 C ATOM 2058 OE1 GLU B 40 10.407 -3.754 -10.075 1.00 0.00 O ATOM 2059 OE2 GLU B 40 10.847 -4.419 -8.076 1.00 0.00 O ATOM 0 H GLU B 40 12.053 -1.951 -7.137 1.00 0.00 H new ATOM 0 HA GLU B 40 11.245 -1.661 -9.902 1.00 0.00 H new ATOM 0 HB2 GLU B 40 10.016 -0.918 -7.209 1.00 0.00 H new ATOM 0 HB3 GLU B 40 9.243 -0.523 -8.732 1.00 0.00 H new ATOM 0 HG2 GLU B 40 8.991 -2.952 -7.300 1.00 0.00 H new ATOM 0 HG3 GLU B 40 8.398 -2.632 -8.918 1.00 0.00 H new ATOM 2066 N LEU B 41 12.000 1.010 -8.048 1.00 0.00 N ATOM 2067 CA LEU B 41 12.377 2.424 -8.159 1.00 0.00 C ATOM 2068 C LEU B 41 13.862 2.625 -7.860 1.00 0.00 C ATOM 2069 O LEU B 41 14.276 3.692 -7.408 1.00 0.00 O ATOM 2070 CB LEU B 41 11.528 3.285 -7.208 1.00 0.00 C ATOM 2071 CG LEU B 41 11.119 2.465 -5.982 1.00 0.00 C ATOM 2072 CD1 LEU B 41 10.857 3.407 -4.802 1.00 0.00 C ATOM 2073 CD2 LEU B 41 9.840 1.680 -6.295 1.00 0.00 C ATOM 0 H LEU B 41 12.000 0.640 -7.098 1.00 0.00 H new ATOM 0 HA LEU B 41 12.189 2.738 -9.186 1.00 0.00 H new ATOM 0 HB2 LEU B 41 12.094 4.163 -6.896 1.00 0.00 H new ATOM 0 HB3 LEU B 41 10.640 3.646 -7.727 1.00 0.00 H new ATOM 0 HG LEU B 41 11.920 1.772 -5.727 1.00 0.00 H new ATOM 0 HD11 LEU B 41 10.566 2.824 -3.929 1.00 0.00 H new ATOM 0 HD12 LEU B 41 11.763 3.969 -4.577 1.00 0.00 H new ATOM 0 HD13 LEU B 41 10.055 4.099 -5.060 1.00 0.00 H new ATOM 0 HD21 LEU B 41 9.549 1.096 -5.422 1.00 0.00 H new ATOM 0 HD22 LEU B 41 9.040 2.375 -6.550 1.00 0.00 H new ATOM 0 HD23 LEU B 41 10.021 1.010 -7.136 1.00 0.00 H new ATOM 2085 N SER B 42 14.660 1.596 -8.118 1.00 0.00 N ATOM 2086 CA SER B 42 16.097 1.676 -7.874 1.00 0.00 C ATOM 2087 C SER B 42 16.664 2.980 -8.434 1.00 0.00 C ATOM 2088 O SER B 42 17.424 3.677 -7.764 1.00 0.00 O ATOM 2089 CB SER B 42 16.805 0.483 -8.527 1.00 0.00 C ATOM 2090 OG SER B 42 17.954 0.941 -9.230 1.00 0.00 O ATOM 0 H SER B 42 14.341 0.703 -8.493 1.00 0.00 H new ATOM 0 HA SER B 42 16.267 1.653 -6.798 1.00 0.00 H new ATOM 0 HB2 SER B 42 17.096 -0.242 -7.767 1.00 0.00 H new ATOM 0 HB3 SER B 42 16.126 -0.027 -9.211 1.00 0.00 H new ATOM 0 HG SER B 42 18.408 0.179 -9.646 1.00 0.00 H new ATOM 2096 N GLY B 43 16.300 3.295 -9.673 1.00 0.00 N ATOM 2097 CA GLY B 43 16.787 4.511 -10.318 1.00 0.00 C ATOM 2098 C GLY B 43 16.051 5.752 -9.814 1.00 0.00 C ATOM 2099 O GLY B 43 16.641 6.826 -9.692 1.00 0.00 O ATOM 0 H GLY B 43 15.674 2.730 -10.248 1.00 0.00 H new ATOM 0 HA2 GLY B 43 17.855 4.620 -10.130 1.00 0.00 H new ATOM 0 HA3 GLY B 43 16.660 4.426 -11.397 1.00 0.00 H new ATOM 2103 N PHE B 44 14.757 5.604 -9.542 1.00 0.00 N ATOM 2104 CA PHE B 44 13.949 6.729 -9.076 1.00 0.00 C ATOM 2105 C PHE B 44 14.272 7.096 -7.626 1.00 0.00 C ATOM 2106 O PHE B 44 14.615 8.240 -7.333 1.00 0.00 O ATOM 2107 CB PHE B 44 12.461 6.385 -9.199 1.00 0.00 C ATOM 2108 CG PHE B 44 11.638 7.404 -8.446 1.00 0.00 C ATOM 2109 CD1 PHE B 44 11.413 7.242 -7.074 1.00 0.00 C ATOM 2110 CD2 PHE B 44 11.105 8.512 -9.116 1.00 0.00 C ATOM 2111 CE1 PHE B 44 10.658 8.185 -6.372 1.00 0.00 C ATOM 2112 CE2 PHE B 44 10.347 9.456 -8.413 1.00 0.00 C ATOM 2113 CZ PHE B 44 10.124 9.293 -7.041 1.00 0.00 C ATOM 0 H PHE B 44 14.248 4.725 -9.635 1.00 0.00 H new ATOM 0 HA PHE B 44 14.185 7.590 -9.702 1.00 0.00 H new ATOM 0 HB2 PHE B 44 12.167 6.370 -10.249 1.00 0.00 H new ATOM 0 HB3 PHE B 44 12.275 5.387 -8.801 1.00 0.00 H new ATOM 0 HD1 PHE B 44 11.824 6.387 -6.557 1.00 0.00 H new ATOM 0 HD2 PHE B 44 11.279 8.638 -10.174 1.00 0.00 H new ATOM 0 HE1 PHE B 44 10.486 8.059 -5.313 1.00 0.00 H new ATOM 0 HE2 PHE B 44 9.934 10.310 -8.929 1.00 0.00 H new ATOM 0 HZ PHE B 44 9.540 10.022 -6.498 1.00 0.00 H new ATOM 2123 N LEU B 45 14.140 6.131 -6.720 1.00 0.00 N ATOM 2124 CA LEU B 45 14.403 6.394 -5.308 1.00 0.00 C ATOM 2125 C LEU B 45 15.757 7.081 -5.140 1.00 0.00 C ATOM 2126 O LEU B 45 16.069 7.607 -4.072 1.00 0.00 O ATOM 2127 CB LEU B 45 14.331 5.076 -4.503 1.00 0.00 C ATOM 2128 CG LEU B 45 15.734 4.550 -4.151 1.00 0.00 C ATOM 2129 CD1 LEU B 45 15.601 3.180 -3.478 1.00 0.00 C ATOM 2130 CD2 LEU B 45 16.593 4.429 -5.428 1.00 0.00 C ATOM 0 H LEU B 45 13.857 5.174 -6.933 1.00 0.00 H new ATOM 0 HA LEU B 45 13.640 7.068 -4.919 1.00 0.00 H new ATOM 0 HB2 LEU B 45 13.762 5.239 -3.587 1.00 0.00 H new ATOM 0 HB3 LEU B 45 13.795 4.324 -5.082 1.00 0.00 H new ATOM 0 HG LEU B 45 16.222 5.247 -3.470 1.00 0.00 H new ATOM 0 HD11 LEU B 45 16.591 2.801 -3.226 1.00 0.00 H new ATOM 0 HD12 LEU B 45 15.007 3.277 -2.569 1.00 0.00 H new ATOM 0 HD13 LEU B 45 15.110 2.486 -4.160 1.00 0.00 H new ATOM 0 HD21 LEU B 45 17.583 4.056 -5.166 1.00 0.00 H new ATOM 0 HD22 LEU B 45 16.117 3.737 -6.123 1.00 0.00 H new ATOM 0 HD23 LEU B 45 16.687 5.408 -5.898 1.00 0.00 H new ATOM 2142 N ASP B 46 16.551 7.079 -6.206 1.00 0.00 N ATOM 2143 CA ASP B 46 17.863 7.713 -6.165 1.00 0.00 C ATOM 2144 C ASP B 46 17.719 9.176 -5.767 1.00 0.00 C ATOM 2145 O ASP B 46 18.618 9.761 -5.161 1.00 0.00 O ATOM 2146 CB ASP B 46 18.530 7.616 -7.541 1.00 0.00 C ATOM 2147 CG ASP B 46 20.048 7.622 -7.390 1.00 0.00 C ATOM 2148 OD1 ASP B 46 20.602 8.695 -7.213 1.00 0.00 O ATOM 2149 OD2 ASP B 46 20.634 6.554 -7.452 1.00 0.00 O ATOM 0 H ASP B 46 16.312 6.650 -7.100 1.00 0.00 H new ATOM 0 HA ASP B 46 18.482 7.201 -5.429 1.00 0.00 H new ATOM 0 HB2 ASP B 46 18.211 6.704 -8.045 1.00 0.00 H new ATOM 0 HB3 ASP B 46 18.216 8.452 -8.166 1.00 0.00 H new ATOM 2154 N ALA B 47 16.576 9.756 -6.114 1.00 0.00 N ATOM 2155 CA ALA B 47 16.304 11.150 -5.796 1.00 0.00 C ATOM 2156 C ALA B 47 15.873 11.294 -4.339 1.00 0.00 C ATOM 2157 O ALA B 47 16.177 12.294 -3.687 1.00 0.00 O ATOM 2158 CB ALA B 47 15.199 11.677 -6.714 1.00 0.00 C ATOM 0 H ALA B 47 15.824 9.282 -6.615 1.00 0.00 H new ATOM 0 HA ALA B 47 17.215 11.728 -5.948 1.00 0.00 H new ATOM 0 HB1 ALA B 47 14.995 12.721 -6.476 1.00 0.00 H new ATOM 0 HB2 ALA B 47 15.520 11.598 -7.753 1.00 0.00 H new ATOM 0 HB3 ALA B 47 14.293 11.088 -6.568 1.00 0.00 H new ATOM 2164 N GLN B 48 15.163 10.289 -3.836 1.00 0.00 N ATOM 2165 CA GLN B 48 14.693 10.313 -2.455 1.00 0.00 C ATOM 2166 C GLN B 48 15.837 10.031 -1.487 1.00 0.00 C ATOM 2167 O GLN B 48 15.829 10.503 -0.350 1.00 0.00 O ATOM 2168 CB GLN B 48 13.591 9.269 -2.262 1.00 0.00 C ATOM 2169 CG GLN B 48 12.348 9.685 -3.051 1.00 0.00 C ATOM 2170 CD GLN B 48 11.268 8.617 -2.925 1.00 0.00 C ATOM 2171 OE1 GLN B 48 11.566 7.423 -2.963 1.00 0.00 O ATOM 2172 NE2 GLN B 48 10.022 8.976 -2.776 1.00 0.00 N ATOM 0 H GLN B 48 14.902 9.453 -4.359 1.00 0.00 H new ATOM 0 HA GLN B 48 14.297 11.307 -2.246 1.00 0.00 H new ATOM 0 HB2 GLN B 48 13.938 8.292 -2.599 1.00 0.00 H new ATOM 0 HB3 GLN B 48 13.348 9.173 -1.204 1.00 0.00 H new ATOM 0 HG2 GLN B 48 11.973 10.638 -2.679 1.00 0.00 H new ATOM 0 HG3 GLN B 48 12.605 9.831 -4.100 1.00 0.00 H new ATOM 0 HE21 GLN B 48 9.777 9.966 -2.745 1.00 0.00 H new ATOM 0 HE22 GLN B 48 9.294 8.267 -2.691 1.00 0.00 H new ATOM 2181 N LYS B 49 16.819 9.261 -1.943 1.00 0.00 N ATOM 2182 CA LYS B 49 17.964 8.926 -1.102 1.00 0.00 C ATOM 2183 C LYS B 49 18.458 10.161 -0.356 1.00 0.00 C ATOM 2184 O LYS B 49 18.897 10.070 0.791 1.00 0.00 O ATOM 2185 CB LYS B 49 19.096 8.357 -1.960 1.00 0.00 C ATOM 2186 CG LYS B 49 18.733 6.942 -2.421 1.00 0.00 C ATOM 2187 CD LYS B 49 19.146 5.928 -1.352 1.00 0.00 C ATOM 2188 CE LYS B 49 18.909 4.510 -1.875 1.00 0.00 C ATOM 2189 NZ LYS B 49 19.607 4.339 -3.179 1.00 0.00 N ATOM 0 H LYS B 49 16.847 8.860 -2.881 1.00 0.00 H new ATOM 0 HA LYS B 49 17.651 8.177 -0.375 1.00 0.00 H new ATOM 0 HB2 LYS B 49 19.268 8.999 -2.824 1.00 0.00 H new ATOM 0 HB3 LYS B 49 20.024 8.337 -1.388 1.00 0.00 H new ATOM 0 HG2 LYS B 49 17.661 6.873 -2.606 1.00 0.00 H new ATOM 0 HG3 LYS B 49 19.234 6.716 -3.362 1.00 0.00 H new ATOM 0 HD2 LYS B 49 20.197 6.062 -1.096 1.00 0.00 H new ATOM 0 HD3 LYS B 49 18.572 6.091 -0.440 1.00 0.00 H new ATOM 0 HE2 LYS B 49 19.277 3.779 -1.155 1.00 0.00 H new ATOM 0 HE3 LYS B 49 17.841 4.329 -1.996 1.00 0.00 H new ATOM 0 HZ1 LYS B 49 19.725 3.325 -3.379 1.00 0.00 H new ATOM 0 HZ2 LYS B 49 19.043 4.778 -3.935 1.00 0.00 H new ATOM 0 HZ3 LYS B 49 20.541 4.795 -3.135 1.00 0.00 H new ATOM 2203 N ASP B 50 18.381 11.314 -1.011 1.00 0.00 N ATOM 2204 CA ASP B 50 18.820 12.561 -0.397 1.00 0.00 C ATOM 2205 C ASP B 50 18.021 12.841 0.871 1.00 0.00 C ATOM 2206 O ASP B 50 18.519 13.470 1.805 1.00 0.00 O ATOM 2207 CB ASP B 50 18.643 13.719 -1.380 1.00 0.00 C ATOM 2208 CG ASP B 50 19.106 15.023 -0.739 1.00 0.00 C ATOM 2209 OD1 ASP B 50 18.507 15.420 0.248 1.00 0.00 O ATOM 2210 OD2 ASP B 50 20.052 15.606 -1.243 1.00 0.00 O ATOM 0 H ASP B 50 18.021 11.411 -1.961 1.00 0.00 H new ATOM 0 HA ASP B 50 19.874 12.465 -0.137 1.00 0.00 H new ATOM 0 HB2 ASP B 50 19.215 13.527 -2.288 1.00 0.00 H new ATOM 0 HB3 ASP B 50 17.597 13.800 -1.674 1.00 0.00 H new ATOM 2215 N ALA B 51 16.779 12.370 0.895 1.00 0.00 N ATOM 2216 CA ALA B 51 15.915 12.576 2.053 1.00 0.00 C ATOM 2217 C ALA B 51 16.088 11.443 3.059 1.00 0.00 C ATOM 2218 O ALA B 51 16.047 10.267 2.699 1.00 0.00 O ATOM 2219 CB ALA B 51 14.453 12.645 1.607 1.00 0.00 C ATOM 0 H ALA B 51 16.350 11.847 0.132 1.00 0.00 H new ATOM 0 HA ALA B 51 16.195 13.516 2.529 1.00 0.00 H new ATOM 0 HB1 ALA B 51 13.814 12.799 2.477 1.00 0.00 H new ATOM 0 HB2 ALA B 51 14.324 13.474 0.911 1.00 0.00 H new ATOM 0 HB3 ALA B 51 14.178 11.712 1.115 1.00 0.00 H new ATOM 2225 N ASP B 52 16.281 11.807 4.322 1.00 0.00 N ATOM 2226 CA ASP B 52 16.459 10.815 5.376 1.00 0.00 C ATOM 2227 C ASP B 52 15.146 10.089 5.655 1.00 0.00 C ATOM 2228 O ASP B 52 15.138 8.998 6.225 1.00 0.00 O ATOM 2229 CB ASP B 52 16.950 11.494 6.655 1.00 0.00 C ATOM 2230 CG ASP B 52 17.491 10.450 7.626 1.00 0.00 C ATOM 2231 OD1 ASP B 52 18.663 10.125 7.524 1.00 0.00 O ATOM 2232 OD2 ASP B 52 16.726 9.991 8.458 1.00 0.00 O ATOM 0 H ASP B 52 16.318 12.776 4.640 1.00 0.00 H new ATOM 0 HA ASP B 52 17.200 10.088 5.044 1.00 0.00 H new ATOM 0 HB2 ASP B 52 17.729 12.218 6.416 1.00 0.00 H new ATOM 0 HB3 ASP B 52 16.133 12.046 7.120 1.00 0.00 H new ATOM 2237 N ALA B 53 14.038 10.703 5.252 1.00 0.00 N ATOM 2238 CA ALA B 53 12.724 10.107 5.464 1.00 0.00 C ATOM 2239 C ALA B 53 12.690 8.675 4.942 1.00 0.00 C ATOM 2240 O ALA B 53 11.985 7.823 5.484 1.00 0.00 O ATOM 2241 CB ALA B 53 11.653 10.937 4.754 1.00 0.00 C ATOM 0 H ALA B 53 14.023 11.607 4.780 1.00 0.00 H new ATOM 0 HA ALA B 53 12.523 10.094 6.535 1.00 0.00 H new ATOM 0 HB1 ALA B 53 10.675 10.485 4.917 1.00 0.00 H new ATOM 0 HB2 ALA B 53 11.655 11.951 5.153 1.00 0.00 H new ATOM 0 HB3 ALA B 53 11.865 10.967 3.685 1.00 0.00 H new ATOM 2247 N VAL B 54 13.456 8.414 3.887 1.00 0.00 N ATOM 2248 CA VAL B 54 13.502 7.080 3.302 1.00 0.00 C ATOM 2249 C VAL B 54 13.893 6.048 4.355 1.00 0.00 C ATOM 2250 O VAL B 54 13.300 4.973 4.437 1.00 0.00 O ATOM 2251 CB VAL B 54 14.512 7.045 2.154 1.00 0.00 C ATOM 2252 CG1 VAL B 54 14.210 8.177 1.171 1.00 0.00 C ATOM 2253 CG2 VAL B 54 15.925 7.222 2.713 1.00 0.00 C ATOM 0 H VAL B 54 14.048 9.103 3.423 1.00 0.00 H new ATOM 0 HA VAL B 54 12.510 6.838 2.920 1.00 0.00 H new ATOM 0 HB VAL B 54 14.440 6.087 1.638 1.00 0.00 H new ATOM 0 HG11 VAL B 54 14.930 8.151 0.353 1.00 0.00 H new ATOM 0 HG12 VAL B 54 13.203 8.053 0.772 1.00 0.00 H new ATOM 0 HG13 VAL B 54 14.281 9.135 1.686 1.00 0.00 H new ATOM 0 HG21 VAL B 54 16.645 7.197 1.895 1.00 0.00 H new ATOM 0 HG22 VAL B 54 15.995 8.179 3.229 1.00 0.00 H new ATOM 0 HG23 VAL B 54 16.143 6.416 3.413 1.00 0.00 H new ATOM 2263 N ASP B 55 14.896 6.385 5.158 1.00 0.00 N ATOM 2264 CA ASP B 55 15.363 5.483 6.206 1.00 0.00 C ATOM 2265 C ASP B 55 14.292 5.302 7.277 1.00 0.00 C ATOM 2266 O ASP B 55 14.219 4.258 7.927 1.00 0.00 O ATOM 2267 CB ASP B 55 16.637 6.039 6.844 1.00 0.00 C ATOM 2268 CG ASP B 55 17.423 4.914 7.508 1.00 0.00 C ATOM 2269 OD1 ASP B 55 16.974 3.781 7.437 1.00 0.00 O ATOM 2270 OD2 ASP B 55 18.462 5.201 8.079 1.00 0.00 O ATOM 0 H ASP B 55 15.399 7.271 5.105 1.00 0.00 H new ATOM 0 HA ASP B 55 15.575 4.514 5.755 1.00 0.00 H new ATOM 0 HB2 ASP B 55 17.251 6.524 6.085 1.00 0.00 H new ATOM 0 HB3 ASP B 55 16.382 6.800 7.582 1.00 0.00 H new ATOM 2275 N LYS B 56 13.470 6.328 7.462 1.00 0.00 N ATOM 2276 CA LYS B 56 12.411 6.279 8.464 1.00 0.00 C ATOM 2277 C LYS B 56 11.593 4.996 8.337 1.00 0.00 C ATOM 2278 O LYS B 56 11.333 4.317 9.331 1.00 0.00 O ATOM 2279 CB LYS B 56 11.490 7.490 8.305 1.00 0.00 C ATOM 2280 CG LYS B 56 10.608 7.629 9.547 1.00 0.00 C ATOM 2281 CD LYS B 56 9.716 8.863 9.404 1.00 0.00 C ATOM 2282 CE LYS B 56 9.218 9.298 10.785 1.00 0.00 C ATOM 2283 NZ LYS B 56 8.817 8.096 11.569 1.00 0.00 N ATOM 0 H LYS B 56 13.515 7.200 6.935 1.00 0.00 H new ATOM 0 HA LYS B 56 12.876 6.296 9.450 1.00 0.00 H new ATOM 0 HB2 LYS B 56 12.082 8.394 8.164 1.00 0.00 H new ATOM 0 HB3 LYS B 56 10.869 7.374 7.417 1.00 0.00 H new ATOM 0 HG2 LYS B 56 9.995 6.737 9.672 1.00 0.00 H new ATOM 0 HG3 LYS B 56 11.229 7.717 10.439 1.00 0.00 H new ATOM 0 HD2 LYS B 56 10.272 9.674 8.935 1.00 0.00 H new ATOM 0 HD3 LYS B 56 8.870 8.639 8.755 1.00 0.00 H new ATOM 0 HE2 LYS B 56 10.002 9.844 11.311 1.00 0.00 H new ATOM 0 HE3 LYS B 56 8.372 9.977 10.681 1.00 0.00 H new ATOM 0 HZ1 LYS B 56 8.195 8.383 12.351 1.00 0.00 H new ATOM 0 HZ2 LYS B 56 8.310 7.431 10.950 1.00 0.00 H new ATOM 0 HZ3 LYS B 56 9.665 7.633 11.953 1.00 0.00 H new ATOM 2297 N VAL B 57 11.183 4.670 7.115 1.00 0.00 N ATOM 2298 CA VAL B 57 10.388 3.467 6.887 1.00 0.00 C ATOM 2299 C VAL B 57 11.260 2.214 6.981 1.00 0.00 C ATOM 2300 O VAL B 57 10.797 1.158 7.411 1.00 0.00 O ATOM 2301 CB VAL B 57 9.697 3.541 5.516 1.00 0.00 C ATOM 2302 CG1 VAL B 57 9.347 4.996 5.205 1.00 0.00 C ATOM 2303 CG2 VAL B 57 10.625 3.003 4.421 1.00 0.00 C ATOM 0 H VAL B 57 11.385 5.214 6.276 1.00 0.00 H new ATOM 0 HA VAL B 57 9.624 3.406 7.662 1.00 0.00 H new ATOM 0 HB VAL B 57 8.791 2.935 5.544 1.00 0.00 H new ATOM 0 HG11 VAL B 57 8.857 5.053 4.233 1.00 0.00 H new ATOM 0 HG12 VAL B 57 8.676 5.381 5.973 1.00 0.00 H new ATOM 0 HG13 VAL B 57 10.258 5.594 5.187 1.00 0.00 H new ATOM 0 HG21 VAL B 57 10.122 3.062 3.456 1.00 0.00 H new ATOM 0 HG22 VAL B 57 11.537 3.599 4.392 1.00 0.00 H new ATOM 0 HG23 VAL B 57 10.877 1.965 4.636 1.00 0.00 H new ATOM 2313 N MET B 58 12.520 2.340 6.575 1.00 0.00 N ATOM 2314 CA MET B 58 13.440 1.209 6.620 1.00 0.00 C ATOM 2315 C MET B 58 13.507 0.629 8.030 1.00 0.00 C ATOM 2316 O MET B 58 13.776 -0.558 8.209 1.00 0.00 O ATOM 2317 CB MET B 58 14.837 1.649 6.180 1.00 0.00 C ATOM 2318 CG MET B 58 14.818 1.998 4.690 1.00 0.00 C ATOM 2319 SD MET B 58 14.953 0.479 3.714 1.00 0.00 S ATOM 2320 CE MET B 58 13.827 0.963 2.384 1.00 0.00 C ATOM 0 H MET B 58 12.924 3.205 6.215 1.00 0.00 H new ATOM 0 HA MET B 58 13.073 0.441 5.939 1.00 0.00 H new ATOM 0 HB2 MET B 58 15.158 2.513 6.762 1.00 0.00 H new ATOM 0 HB3 MET B 58 15.557 0.852 6.368 1.00 0.00 H new ATOM 0 HG2 MET B 58 13.896 2.523 4.440 1.00 0.00 H new ATOM 0 HG3 MET B 58 15.642 2.670 4.452 1.00 0.00 H new ATOM 0 HE1 MET B 58 13.759 0.157 1.654 1.00 0.00 H new ATOM 0 HE2 MET B 58 12.839 1.162 2.798 1.00 0.00 H new ATOM 0 HE3 MET B 58 14.204 1.862 1.897 1.00 0.00 H new ATOM 2330 N LYS B 59 13.260 1.472 9.026 1.00 0.00 N ATOM 2331 CA LYS B 59 13.296 1.025 10.414 1.00 0.00 C ATOM 2332 C LYS B 59 12.395 -0.191 10.605 1.00 0.00 C ATOM 2333 O LYS B 59 12.661 -1.047 11.448 1.00 0.00 O ATOM 2334 CB LYS B 59 12.838 2.153 11.341 1.00 0.00 C ATOM 2335 CG LYS B 59 12.997 1.712 12.797 1.00 0.00 C ATOM 2336 CD LYS B 59 12.502 2.824 13.725 1.00 0.00 C ATOM 2337 CE LYS B 59 12.817 2.455 15.176 1.00 0.00 C ATOM 2338 NZ LYS B 59 12.629 3.650 16.045 1.00 0.00 N ATOM 0 H LYS B 59 13.035 2.459 8.901 1.00 0.00 H new ATOM 0 HA LYS B 59 14.321 0.749 10.661 1.00 0.00 H new ATOM 0 HB2 LYS B 59 13.426 3.052 11.156 1.00 0.00 H new ATOM 0 HB3 LYS B 59 11.797 2.405 11.138 1.00 0.00 H new ATOM 0 HG2 LYS B 59 12.432 0.797 12.975 1.00 0.00 H new ATOM 0 HG3 LYS B 59 14.042 1.487 13.008 1.00 0.00 H new ATOM 0 HD2 LYS B 59 12.981 3.768 13.466 1.00 0.00 H new ATOM 0 HD3 LYS B 59 11.429 2.966 13.599 1.00 0.00 H new ATOM 0 HE2 LYS B 59 12.165 1.646 15.506 1.00 0.00 H new ATOM 0 HE3 LYS B 59 13.842 2.092 15.256 1.00 0.00 H new ATOM 0 HZ1 LYS B 59 12.843 3.399 17.031 1.00 0.00 H new ATOM 0 HZ2 LYS B 59 13.268 4.409 15.734 1.00 0.00 H new ATOM 0 HZ3 LYS B 59 11.644 3.977 15.977 1.00 0.00 H new ATOM 2352 N GLU B 60 11.326 -0.258 9.817 1.00 0.00 N ATOM 2353 CA GLU B 60 10.390 -1.372 9.908 1.00 0.00 C ATOM 2354 C GLU B 60 11.047 -2.669 9.444 1.00 0.00 C ATOM 2355 O GLU B 60 11.195 -3.613 10.220 1.00 0.00 O ATOM 2356 CB GLU B 60 9.157 -1.088 9.049 1.00 0.00 C ATOM 2357 CG GLU B 60 8.432 0.148 9.584 1.00 0.00 C ATOM 2358 CD GLU B 60 7.146 0.381 8.798 1.00 0.00 C ATOM 2359 OE1 GLU B 60 6.926 -0.337 7.837 1.00 0.00 O ATOM 2360 OE2 GLU B 60 6.402 1.273 9.169 1.00 0.00 O ATOM 0 H GLU B 60 11.088 0.441 9.113 1.00 0.00 H new ATOM 0 HA GLU B 60 10.091 -1.484 10.950 1.00 0.00 H new ATOM 0 HB2 GLU B 60 9.453 -0.928 8.012 1.00 0.00 H new ATOM 0 HB3 GLU B 60 8.487 -1.948 9.060 1.00 0.00 H new ATOM 0 HG2 GLU B 60 8.202 0.016 10.641 1.00 0.00 H new ATOM 0 HG3 GLU B 60 9.079 1.022 9.505 1.00 0.00 H new ATOM 2367 N LEU B 61 11.436 -2.709 8.172 1.00 0.00 N ATOM 2368 CA LEU B 61 12.074 -3.899 7.618 1.00 0.00 C ATOM 2369 C LEU B 61 13.460 -4.099 8.221 1.00 0.00 C ATOM 2370 O LEU B 61 13.873 -5.227 8.485 1.00 0.00 O ATOM 2371 CB LEU B 61 12.187 -3.774 6.091 1.00 0.00 C ATOM 2372 CG LEU B 61 12.891 -2.456 5.715 1.00 0.00 C ATOM 2373 CD1 LEU B 61 14.382 -2.710 5.463 1.00 0.00 C ATOM 2374 CD2 LEU B 61 12.259 -1.877 4.443 1.00 0.00 C ATOM 0 H LEU B 61 11.322 -1.940 7.512 1.00 0.00 H new ATOM 0 HA LEU B 61 11.458 -4.764 7.865 1.00 0.00 H new ATOM 0 HB2 LEU B 61 12.745 -4.620 5.690 1.00 0.00 H new ATOM 0 HB3 LEU B 61 11.194 -3.805 5.642 1.00 0.00 H new ATOM 0 HG LEU B 61 12.777 -1.750 6.538 1.00 0.00 H new ATOM 0 HD11 LEU B 61 14.871 -1.773 5.198 1.00 0.00 H new ATOM 0 HD12 LEU B 61 14.840 -3.115 6.365 1.00 0.00 H new ATOM 0 HD13 LEU B 61 14.497 -3.423 4.646 1.00 0.00 H new ATOM 0 HD21 LEU B 61 12.759 -0.945 4.180 1.00 0.00 H new ATOM 0 HD22 LEU B 61 12.367 -2.590 3.626 1.00 0.00 H new ATOM 0 HD23 LEU B 61 11.201 -1.684 4.618 1.00 0.00 H new ATOM 2386 N ASP B 62 14.176 -2.999 8.433 1.00 0.00 N ATOM 2387 CA ASP B 62 15.518 -3.069 9.000 1.00 0.00 C ATOM 2388 C ASP B 62 15.495 -3.713 10.384 1.00 0.00 C ATOM 2389 O ASP B 62 16.084 -4.773 10.594 1.00 0.00 O ATOM 2390 CB ASP B 62 16.114 -1.663 9.100 1.00 0.00 C ATOM 2391 CG ASP B 62 17.597 -1.749 9.446 1.00 0.00 C ATOM 2392 OD1 ASP B 62 18.357 -2.189 8.599 1.00 0.00 O ATOM 2393 OD2 ASP B 62 17.951 -1.372 10.551 1.00 0.00 O ATOM 0 H ASP B 62 13.852 -2.055 8.222 1.00 0.00 H new ATOM 0 HA ASP B 62 16.133 -3.683 8.343 1.00 0.00 H new ATOM 0 HB2 ASP B 62 15.982 -1.135 8.155 1.00 0.00 H new ATOM 0 HB3 ASP B 62 15.587 -1.089 9.862 1.00 0.00 H new ATOM 2398 N GLU B 63 14.820 -3.063 11.326 1.00 0.00 N ATOM 2399 CA GLU B 63 14.736 -3.580 12.688 1.00 0.00 C ATOM 2400 C GLU B 63 14.558 -5.096 12.682 1.00 0.00 C ATOM 2401 O GLU B 63 15.397 -5.830 13.205 1.00 0.00 O ATOM 2402 CB GLU B 63 13.561 -2.931 13.422 1.00 0.00 C ATOM 2403 CG GLU B 63 13.569 -3.367 14.888 1.00 0.00 C ATOM 2404 CD GLU B 63 12.353 -2.797 15.608 1.00 0.00 C ATOM 2405 OE1 GLU B 63 11.571 -2.118 14.964 1.00 0.00 O ATOM 2406 OE2 GLU B 63 12.220 -3.047 16.796 1.00 0.00 O ATOM 0 H GLU B 63 14.326 -2.184 11.174 1.00 0.00 H new ATOM 0 HA GLU B 63 15.666 -3.339 13.203 1.00 0.00 H new ATOM 0 HB2 GLU B 63 13.632 -1.845 13.354 1.00 0.00 H new ATOM 0 HB3 GLU B 63 12.621 -3.219 12.951 1.00 0.00 H new ATOM 0 HG2 GLU B 63 13.563 -4.455 14.952 1.00 0.00 H new ATOM 0 HG3 GLU B 63 14.483 -3.024 15.373 1.00 0.00 H new ATOM 2413 N ASP B 64 13.464 -5.558 12.088 1.00 0.00 N ATOM 2414 CA ASP B 64 13.187 -6.989 12.021 1.00 0.00 C ATOM 2415 C ASP B 64 13.846 -7.603 10.790 1.00 0.00 C ATOM 2416 O ASP B 64 13.405 -8.637 10.287 1.00 0.00 O ATOM 2417 CB ASP B 64 11.677 -7.229 11.966 1.00 0.00 C ATOM 2418 CG ASP B 64 11.031 -6.781 13.274 1.00 0.00 C ATOM 2419 OD1 ASP B 64 11.755 -6.607 14.240 1.00 0.00 O ATOM 2420 OD2 ASP B 64 9.822 -6.620 13.288 1.00 0.00 O ATOM 0 H ASP B 64 12.758 -4.968 11.648 1.00 0.00 H new ATOM 0 HA ASP B 64 13.596 -7.461 12.914 1.00 0.00 H new ATOM 0 HB2 ASP B 64 11.243 -6.681 11.130 1.00 0.00 H new ATOM 0 HB3 ASP B 64 11.474 -8.286 11.794 1.00 0.00 H new ATOM 2425 N GLY B 65 14.899 -6.954 10.307 1.00 0.00 N ATOM 2426 CA GLY B 65 15.610 -7.435 9.128 1.00 0.00 C ATOM 2427 C GLY B 65 15.797 -8.949 9.169 1.00 0.00 C ATOM 2428 O GLY B 65 15.489 -9.647 8.204 1.00 0.00 O ATOM 0 H GLY B 65 15.278 -6.098 10.711 1.00 0.00 H new ATOM 0 HA2 GLY B 65 15.057 -7.160 8.230 1.00 0.00 H new ATOM 0 HA3 GLY B 65 16.583 -6.948 9.065 1.00 0.00 H new ATOM 2432 N ASP B 66 16.302 -9.454 10.286 1.00 0.00 N ATOM 2433 CA ASP B 66 16.523 -10.889 10.422 1.00 0.00 C ATOM 2434 C ASP B 66 15.212 -11.647 10.243 1.00 0.00 C ATOM 2435 O ASP B 66 15.208 -12.825 9.887 1.00 0.00 O ATOM 2436 CB ASP B 66 17.112 -11.199 11.800 1.00 0.00 C ATOM 2437 CG ASP B 66 17.489 -12.674 11.886 1.00 0.00 C ATOM 2438 OD1 ASP B 66 18.015 -13.189 10.912 1.00 0.00 O ATOM 2439 OD2 ASP B 66 17.248 -13.267 12.924 1.00 0.00 O ATOM 0 H ASP B 66 16.564 -8.901 11.102 1.00 0.00 H new ATOM 0 HA ASP B 66 17.224 -11.207 9.650 1.00 0.00 H new ATOM 0 HB2 ASP B 66 17.991 -10.580 11.977 1.00 0.00 H new ATOM 0 HB3 ASP B 66 16.388 -10.954 12.577 1.00 0.00 H new ATOM 2444 N GLY B 67 14.102 -10.963 10.495 1.00 0.00 N ATOM 2445 CA GLY B 67 12.788 -11.580 10.361 1.00 0.00 C ATOM 2446 C GLY B 67 12.213 -11.387 8.960 1.00 0.00 C ATOM 2447 O GLY B 67 12.919 -10.995 8.023 1.00 0.00 O ATOM 0 H GLY B 67 14.085 -9.987 10.791 1.00 0.00 H new ATOM 0 HA2 GLY B 67 12.862 -12.645 10.580 1.00 0.00 H new ATOM 0 HA3 GLY B 67 12.108 -11.150 11.096 1.00 0.00 H new ATOM 2451 N GLU B 68 10.919 -11.666 8.830 1.00 0.00 N ATOM 2452 CA GLU B 68 10.226 -11.527 7.553 1.00 0.00 C ATOM 2453 C GLU B 68 8.912 -10.775 7.749 1.00 0.00 C ATOM 2454 O GLU B 68 8.458 -10.588 8.878 1.00 0.00 O ATOM 2455 CB GLU B 68 9.944 -12.910 6.963 1.00 0.00 C ATOM 2456 CG GLU B 68 9.127 -13.734 7.960 1.00 0.00 C ATOM 2457 CD GLU B 68 9.334 -15.223 7.701 1.00 0.00 C ATOM 2458 OE1 GLU B 68 10.478 -15.626 7.564 1.00 0.00 O ATOM 2459 OE2 GLU B 68 8.347 -15.938 7.646 1.00 0.00 O ATOM 0 H GLU B 68 10.328 -11.990 9.595 1.00 0.00 H new ATOM 0 HA GLU B 68 10.859 -10.964 6.867 1.00 0.00 H new ATOM 0 HB2 GLU B 68 9.400 -12.812 6.024 1.00 0.00 H new ATOM 0 HB3 GLU B 68 10.881 -13.418 6.737 1.00 0.00 H new ATOM 0 HG2 GLU B 68 9.427 -13.489 8.979 1.00 0.00 H new ATOM 0 HG3 GLU B 68 8.070 -13.485 7.870 1.00 0.00 H new ATOM 2466 N VAL B 69 8.308 -10.343 6.646 1.00 0.00 N ATOM 2467 CA VAL B 69 7.045 -9.607 6.711 1.00 0.00 C ATOM 2468 C VAL B 69 5.963 -10.328 5.914 1.00 0.00 C ATOM 2469 O VAL B 69 6.234 -10.914 4.867 1.00 0.00 O ATOM 2470 CB VAL B 69 7.238 -8.195 6.155 1.00 0.00 C ATOM 2471 CG1 VAL B 69 7.757 -8.271 4.714 1.00 0.00 C ATOM 2472 CG2 VAL B 69 5.899 -7.452 6.184 1.00 0.00 C ATOM 0 H VAL B 69 8.667 -10.487 5.702 1.00 0.00 H new ATOM 0 HA VAL B 69 6.732 -9.548 7.753 1.00 0.00 H new ATOM 0 HB VAL B 69 7.965 -7.660 6.767 1.00 0.00 H new ATOM 0 HG11 VAL B 69 7.893 -7.263 4.323 1.00 0.00 H new ATOM 0 HG12 VAL B 69 8.711 -8.798 4.698 1.00 0.00 H new ATOM 0 HG13 VAL B 69 7.037 -8.806 4.096 1.00 0.00 H new ATOM 0 HG21 VAL B 69 6.033 -6.445 5.788 1.00 0.00 H new ATOM 0 HG22 VAL B 69 5.172 -7.988 5.574 1.00 0.00 H new ATOM 0 HG23 VAL B 69 5.538 -7.393 7.211 1.00 0.00 H new ATOM 2482 N ASP B 70 4.735 -10.281 6.423 1.00 0.00 N ATOM 2483 CA ASP B 70 3.615 -10.934 5.754 1.00 0.00 C ATOM 2484 C ASP B 70 3.658 -10.670 4.252 1.00 0.00 C ATOM 2485 O ASP B 70 4.367 -11.353 3.513 1.00 0.00 O ATOM 2486 CB ASP B 70 2.294 -10.421 6.329 1.00 0.00 C ATOM 2487 CG ASP B 70 1.122 -11.058 5.592 1.00 0.00 C ATOM 2488 OD1 ASP B 70 0.903 -12.243 5.781 1.00 0.00 O ATOM 2489 OD2 ASP B 70 0.460 -10.352 4.849 1.00 0.00 O ATOM 0 H ASP B 70 4.492 -9.801 7.290 1.00 0.00 H new ATOM 0 HA ASP B 70 3.691 -12.008 5.922 1.00 0.00 H new ATOM 0 HB2 ASP B 70 2.236 -10.654 7.392 1.00 0.00 H new ATOM 0 HB3 ASP B 70 2.245 -9.336 6.238 1.00 0.00 H new ATOM 2494 N PHE B 71 2.894 -9.677 3.807 1.00 0.00 N ATOM 2495 CA PHE B 71 2.855 -9.336 2.389 1.00 0.00 C ATOM 2496 C PHE B 71 2.168 -7.986 2.187 1.00 0.00 C ATOM 2497 O PHE B 71 2.814 -6.997 1.841 1.00 0.00 O ATOM 2498 CB PHE B 71 2.113 -10.435 1.614 1.00 0.00 C ATOM 2499 CG PHE B 71 1.605 -9.907 0.287 1.00 0.00 C ATOM 2500 CD1 PHE B 71 2.349 -8.963 -0.435 1.00 0.00 C ATOM 2501 CD2 PHE B 71 0.384 -10.366 -0.219 1.00 0.00 C ATOM 2502 CE1 PHE B 71 1.869 -8.482 -1.660 1.00 0.00 C ATOM 2503 CE2 PHE B 71 -0.096 -9.886 -1.443 1.00 0.00 C ATOM 2504 CZ PHE B 71 0.647 -8.944 -2.163 1.00 0.00 C ATOM 0 H PHE B 71 2.299 -9.099 4.401 1.00 0.00 H new ATOM 0 HA PHE B 71 3.875 -9.262 2.012 1.00 0.00 H new ATOM 0 HB2 PHE B 71 2.780 -11.280 1.443 1.00 0.00 H new ATOM 0 HB3 PHE B 71 1.277 -10.804 2.208 1.00 0.00 H new ATOM 0 HD1 PHE B 71 3.292 -8.607 -0.047 1.00 0.00 H new ATOM 0 HD2 PHE B 71 -0.190 -11.093 0.337 1.00 0.00 H new ATOM 0 HE1 PHE B 71 2.442 -7.755 -2.216 1.00 0.00 H new ATOM 0 HE2 PHE B 71 -1.039 -10.242 -1.831 1.00 0.00 H new ATOM 0 HZ PHE B 71 0.277 -8.573 -3.108 1.00 0.00 H new ATOM 2514 N GLN B 72 0.857 -7.956 2.401 1.00 0.00 N ATOM 2515 CA GLN B 72 0.092 -6.726 2.236 1.00 0.00 C ATOM 2516 C GLN B 72 0.650 -5.618 3.126 1.00 0.00 C ATOM 2517 O GLN B 72 0.541 -4.443 2.804 1.00 0.00 O ATOM 2518 CB GLN B 72 -1.380 -6.971 2.591 1.00 0.00 C ATOM 2519 CG GLN B 72 -2.114 -7.585 1.394 1.00 0.00 C ATOM 2520 CD GLN B 72 -1.654 -9.023 1.177 1.00 0.00 C ATOM 2521 OE1 GLN B 72 -0.835 -9.536 1.938 1.00 0.00 O ATOM 2522 NE2 GLN B 72 -2.139 -9.707 0.177 1.00 0.00 N ATOM 0 H GLN B 72 0.305 -8.764 2.687 1.00 0.00 H new ATOM 0 HA GLN B 72 0.170 -6.414 1.194 1.00 0.00 H new ATOM 0 HB2 GLN B 72 -1.449 -7.637 3.451 1.00 0.00 H new ATOM 0 HB3 GLN B 72 -1.855 -6.032 2.876 1.00 0.00 H new ATOM 0 HG2 GLN B 72 -3.190 -7.562 1.567 1.00 0.00 H new ATOM 0 HG3 GLN B 72 -1.922 -6.995 0.498 1.00 0.00 H new ATOM 0 HE21 GLN B 72 -2.818 -9.279 -0.452 1.00 0.00 H new ATOM 0 HE22 GLN B 72 -1.839 -10.670 0.025 1.00 0.00 H new ATOM 2531 N GLU B 73 1.240 -6.003 4.248 1.00 0.00 N ATOM 2532 CA GLU B 73 1.803 -5.031 5.182 1.00 0.00 C ATOM 2533 C GLU B 73 2.689 -4.004 4.470 1.00 0.00 C ATOM 2534 O GLU B 73 2.923 -2.913 4.988 1.00 0.00 O ATOM 2535 CB GLU B 73 2.628 -5.756 6.246 1.00 0.00 C ATOM 2536 CG GLU B 73 1.691 -6.392 7.274 1.00 0.00 C ATOM 2537 CD GLU B 73 2.504 -7.047 8.385 1.00 0.00 C ATOM 2538 OE1 GLU B 73 3.133 -8.058 8.115 1.00 0.00 O ATOM 2539 OE2 GLU B 73 2.488 -6.529 9.490 1.00 0.00 O ATOM 0 H GLU B 73 1.343 -6.976 4.536 1.00 0.00 H new ATOM 0 HA GLU B 73 0.972 -4.499 5.645 1.00 0.00 H new ATOM 0 HB2 GLU B 73 3.248 -6.522 5.781 1.00 0.00 H new ATOM 0 HB3 GLU B 73 3.303 -5.055 6.738 1.00 0.00 H new ATOM 0 HG2 GLU B 73 1.030 -5.634 7.694 1.00 0.00 H new ATOM 0 HG3 GLU B 73 1.057 -7.135 6.790 1.00 0.00 H new ATOM 2546 N TYR B 74 3.203 -4.370 3.300 1.00 0.00 N ATOM 2547 CA TYR B 74 4.089 -3.482 2.551 1.00 0.00 C ATOM 2548 C TYR B 74 3.340 -2.309 1.912 1.00 0.00 C ATOM 2549 O TYR B 74 3.930 -1.261 1.657 1.00 0.00 O ATOM 2550 CB TYR B 74 4.861 -4.283 1.490 1.00 0.00 C ATOM 2551 CG TYR B 74 4.101 -4.339 0.183 1.00 0.00 C ATOM 2552 CD1 TYR B 74 2.745 -4.691 0.164 1.00 0.00 C ATOM 2553 CD2 TYR B 74 4.766 -4.051 -1.014 1.00 0.00 C ATOM 2554 CE1 TYR B 74 2.057 -4.753 -1.054 1.00 0.00 C ATOM 2555 CE2 TYR B 74 4.079 -4.115 -2.231 1.00 0.00 C ATOM 2556 CZ TYR B 74 2.725 -4.466 -2.251 1.00 0.00 C ATOM 2557 OH TYR B 74 2.047 -4.529 -3.451 1.00 0.00 O ATOM 0 H TYR B 74 3.024 -5.268 2.851 1.00 0.00 H new ATOM 0 HA TYR B 74 4.796 -3.050 3.259 1.00 0.00 H new ATOM 0 HB2 TYR B 74 5.837 -3.827 1.326 1.00 0.00 H new ATOM 0 HB3 TYR B 74 5.039 -5.295 1.853 1.00 0.00 H new ATOM 0 HD1 TYR B 74 2.231 -4.914 1.087 1.00 0.00 H new ATOM 0 HD2 TYR B 74 5.811 -3.779 -0.998 1.00 0.00 H new ATOM 0 HE1 TYR B 74 1.011 -5.022 -1.070 1.00 0.00 H new ATOM 0 HE2 TYR B 74 4.594 -3.894 -3.154 1.00 0.00 H new ATOM 0 HH TYR B 74 1.743 -5.448 -3.607 1.00 0.00 H new ATOM 2567 N VAL B 75 2.053 -2.480 1.636 1.00 0.00 N ATOM 2568 CA VAL B 75 1.288 -1.404 1.008 1.00 0.00 C ATOM 2569 C VAL B 75 1.485 -0.079 1.746 1.00 0.00 C ATOM 2570 O VAL B 75 1.904 0.911 1.148 1.00 0.00 O ATOM 2571 CB VAL B 75 -0.204 -1.748 0.978 1.00 0.00 C ATOM 2572 CG1 VAL B 75 -0.412 -3.053 0.211 1.00 0.00 C ATOM 2573 CG2 VAL B 75 -0.726 -1.900 2.410 1.00 0.00 C ATOM 0 H VAL B 75 1.525 -3.331 1.830 1.00 0.00 H new ATOM 0 HA VAL B 75 1.656 -1.296 -0.012 1.00 0.00 H new ATOM 0 HB VAL B 75 -0.751 -0.947 0.481 1.00 0.00 H new ATOM 0 HG11 VAL B 75 -1.474 -3.297 0.190 1.00 0.00 H new ATOM 0 HG12 VAL B 75 -0.046 -2.938 -0.809 1.00 0.00 H new ATOM 0 HG13 VAL B 75 0.135 -3.856 0.704 1.00 0.00 H new ATOM 0 HG21 VAL B 75 -1.788 -2.145 2.386 1.00 0.00 H new ATOM 0 HG22 VAL B 75 -0.181 -2.699 2.913 1.00 0.00 H new ATOM 0 HG23 VAL B 75 -0.581 -0.965 2.951 1.00 0.00 H new ATOM 2583 N VAL B 76 1.177 -0.061 3.038 1.00 0.00 N ATOM 2584 CA VAL B 76 1.322 1.156 3.827 1.00 0.00 C ATOM 2585 C VAL B 76 2.761 1.662 3.775 1.00 0.00 C ATOM 2586 O VAL B 76 2.999 2.867 3.707 1.00 0.00 O ATOM 2587 CB VAL B 76 0.905 0.890 5.277 1.00 0.00 C ATOM 2588 CG1 VAL B 76 1.546 -0.411 5.761 1.00 0.00 C ATOM 2589 CG2 VAL B 76 1.367 2.048 6.167 1.00 0.00 C ATOM 0 H VAL B 76 0.829 -0.867 3.557 1.00 0.00 H new ATOM 0 HA VAL B 76 0.674 1.924 3.406 1.00 0.00 H new ATOM 0 HB VAL B 76 -0.180 0.804 5.330 1.00 0.00 H new ATOM 0 HG11 VAL B 76 1.250 -0.601 6.793 1.00 0.00 H new ATOM 0 HG12 VAL B 76 1.215 -1.236 5.131 1.00 0.00 H new ATOM 0 HG13 VAL B 76 2.631 -0.325 5.705 1.00 0.00 H new ATOM 0 HG21 VAL B 76 1.069 1.856 7.198 1.00 0.00 H new ATOM 0 HG22 VAL B 76 2.452 2.137 6.114 1.00 0.00 H new ATOM 0 HG23 VAL B 76 0.909 2.976 5.824 1.00 0.00 H new ATOM 2599 N LEU B 77 3.716 0.738 3.796 1.00 0.00 N ATOM 2600 CA LEU B 77 5.124 1.122 3.738 1.00 0.00 C ATOM 2601 C LEU B 77 5.359 2.047 2.548 1.00 0.00 C ATOM 2602 O LEU B 77 6.201 2.942 2.601 1.00 0.00 O ATOM 2603 CB LEU B 77 6.013 -0.121 3.610 1.00 0.00 C ATOM 2604 CG LEU B 77 7.488 0.276 3.736 1.00 0.00 C ATOM 2605 CD1 LEU B 77 7.885 0.316 5.213 1.00 0.00 C ATOM 2606 CD2 LEU B 77 8.355 -0.755 3.004 1.00 0.00 C ATOM 0 H LEU B 77 3.547 -0.266 3.852 1.00 0.00 H new ATOM 0 HA LEU B 77 5.381 1.644 4.659 1.00 0.00 H new ATOM 0 HB2 LEU B 77 5.755 -0.844 4.384 1.00 0.00 H new ATOM 0 HB3 LEU B 77 5.839 -0.606 2.649 1.00 0.00 H new ATOM 0 HG LEU B 77 7.637 1.261 3.294 1.00 0.00 H new ATOM 0 HD11 LEU B 77 8.934 0.598 5.300 1.00 0.00 H new ATOM 0 HD12 LEU B 77 7.268 1.047 5.736 1.00 0.00 H new ATOM 0 HD13 LEU B 77 7.736 -0.669 5.657 1.00 0.00 H new ATOM 0 HD21 LEU B 77 9.405 -0.475 3.092 1.00 0.00 H new ATOM 0 HD22 LEU B 77 8.203 -1.739 3.448 1.00 0.00 H new ATOM 0 HD23 LEU B 77 8.074 -0.785 1.951 1.00 0.00 H new ATOM 2618 N VAL B 78 4.602 1.825 1.475 1.00 0.00 N ATOM 2619 CA VAL B 78 4.731 2.647 0.278 1.00 0.00 C ATOM 2620 C VAL B 78 4.172 4.044 0.529 1.00 0.00 C ATOM 2621 O VAL B 78 4.685 5.034 0.005 1.00 0.00 O ATOM 2622 CB VAL B 78 3.978 2.003 -0.888 1.00 0.00 C ATOM 2623 CG1 VAL B 78 4.139 2.867 -2.139 1.00 0.00 C ATOM 2624 CG2 VAL B 78 4.546 0.607 -1.158 1.00 0.00 C ATOM 0 H VAL B 78 3.899 1.089 1.412 1.00 0.00 H new ATOM 0 HA VAL B 78 5.789 2.724 0.028 1.00 0.00 H new ATOM 0 HB VAL B 78 2.921 1.922 -0.634 1.00 0.00 H new ATOM 0 HG11 VAL B 78 3.603 2.408 -2.970 1.00 0.00 H new ATOM 0 HG12 VAL B 78 3.733 3.861 -1.950 1.00 0.00 H new ATOM 0 HG13 VAL B 78 5.196 2.949 -2.391 1.00 0.00 H new ATOM 0 HG21 VAL B 78 4.008 0.150 -1.989 1.00 0.00 H new ATOM 0 HG22 VAL B 78 5.603 0.687 -1.410 1.00 0.00 H new ATOM 0 HG23 VAL B 78 4.431 -0.011 -0.268 1.00 0.00 H new ATOM 2634 N ALA B 79 3.114 4.115 1.331 1.00 0.00 N ATOM 2635 CA ALA B 79 2.483 5.393 1.643 1.00 0.00 C ATOM 2636 C ALA B 79 3.408 6.271 2.482 1.00 0.00 C ATOM 2637 O ALA B 79 3.670 7.421 2.133 1.00 0.00 O ATOM 2638 CB ALA B 79 1.176 5.154 2.404 1.00 0.00 C ATOM 0 H ALA B 79 2.677 3.307 1.775 1.00 0.00 H new ATOM 0 HA ALA B 79 2.275 5.908 0.705 1.00 0.00 H new ATOM 0 HB1 ALA B 79 0.709 6.111 2.635 1.00 0.00 H new ATOM 0 HB2 ALA B 79 0.500 4.559 1.789 1.00 0.00 H new ATOM 0 HB3 ALA B 79 1.387 4.621 3.331 1.00 0.00 H new ATOM 2644 N ALA B 80 3.900 5.725 3.588 1.00 0.00 N ATOM 2645 CA ALA B 80 4.792 6.480 4.460 1.00 0.00 C ATOM 2646 C ALA B 80 5.929 7.099 3.655 1.00 0.00 C ATOM 2647 O ALA B 80 6.455 8.154 4.009 1.00 0.00 O ATOM 2648 CB ALA B 80 5.369 5.561 5.539 1.00 0.00 C ATOM 0 H ALA B 80 3.700 4.775 3.900 1.00 0.00 H new ATOM 0 HA ALA B 80 4.219 7.278 4.932 1.00 0.00 H new ATOM 0 HB1 ALA B 80 6.034 6.133 6.186 1.00 0.00 H new ATOM 0 HB2 ALA B 80 4.557 5.142 6.133 1.00 0.00 H new ATOM 0 HB3 ALA B 80 5.928 4.753 5.068 1.00 0.00 H new ATOM 2654 N LEU B 81 6.307 6.432 2.571 1.00 0.00 N ATOM 2655 CA LEU B 81 7.386 6.919 1.720 1.00 0.00 C ATOM 2656 C LEU B 81 6.911 8.069 0.831 1.00 0.00 C ATOM 2657 O LEU B 81 7.596 9.083 0.699 1.00 0.00 O ATOM 2658 CB LEU B 81 7.913 5.773 0.848 1.00 0.00 C ATOM 2659 CG LEU B 81 9.401 5.986 0.548 1.00 0.00 C ATOM 2660 CD1 LEU B 81 9.948 4.766 -0.198 1.00 0.00 C ATOM 2661 CD2 LEU B 81 9.575 7.236 -0.320 1.00 0.00 C ATOM 0 H LEU B 81 5.885 5.557 2.261 1.00 0.00 H new ATOM 0 HA LEU B 81 8.186 7.291 2.360 1.00 0.00 H new ATOM 0 HB2 LEU B 81 7.769 4.821 1.358 1.00 0.00 H new ATOM 0 HB3 LEU B 81 7.349 5.724 -0.083 1.00 0.00 H new ATOM 0 HG LEU B 81 9.946 6.116 1.483 1.00 0.00 H new ATOM 0 HD11 LEU B 81 11.006 4.915 -0.413 1.00 0.00 H new ATOM 0 HD12 LEU B 81 9.825 3.876 0.420 1.00 0.00 H new ATOM 0 HD13 LEU B 81 9.403 4.637 -1.133 1.00 0.00 H new ATOM 0 HD21 LEU B 81 10.633 7.387 -0.533 1.00 0.00 H new ATOM 0 HD22 LEU B 81 9.031 7.108 -1.256 1.00 0.00 H new ATOM 0 HD23 LEU B 81 9.184 8.104 0.210 1.00 0.00 H new ATOM 2673 N THR B 82 5.745 7.899 0.212 1.00 0.00 N ATOM 2674 CA THR B 82 5.208 8.928 -0.676 1.00 0.00 C ATOM 2675 C THR B 82 4.776 10.168 0.107 1.00 0.00 C ATOM 2676 O THR B 82 5.099 11.294 -0.274 1.00 0.00 O ATOM 2677 CB THR B 82 4.031 8.359 -1.493 1.00 0.00 C ATOM 2678 OG1 THR B 82 4.009 8.978 -2.772 1.00 0.00 O ATOM 2679 CG2 THR B 82 2.692 8.613 -0.787 1.00 0.00 C ATOM 0 H THR B 82 5.160 7.069 0.307 1.00 0.00 H new ATOM 0 HA THR B 82 5.998 9.233 -1.362 1.00 0.00 H new ATOM 0 HB THR B 82 4.169 7.282 -1.593 1.00 0.00 H new ATOM 0 HG1 THR B 82 4.511 9.819 -2.737 1.00 0.00 H new ATOM 0 HG21 THR B 82 1.881 8.201 -1.387 1.00 0.00 H new ATOM 0 HG22 THR B 82 2.700 8.133 0.192 1.00 0.00 H new ATOM 0 HG23 THR B 82 2.543 9.686 -0.664 1.00 0.00 H new ATOM 2687 N VAL B 83 4.042 9.961 1.195 1.00 0.00 N ATOM 2688 CA VAL B 83 3.574 11.078 2.008 1.00 0.00 C ATOM 2689 C VAL B 83 4.741 11.965 2.428 1.00 0.00 C ATOM 2690 O VAL B 83 4.625 13.190 2.452 1.00 0.00 O ATOM 2691 CB VAL B 83 2.844 10.557 3.248 1.00 0.00 C ATOM 2692 CG1 VAL B 83 3.860 10.065 4.278 1.00 0.00 C ATOM 2693 CG2 VAL B 83 2.009 11.685 3.857 1.00 0.00 C ATOM 0 H VAL B 83 3.760 9.040 1.532 1.00 0.00 H new ATOM 0 HA VAL B 83 2.884 11.672 1.409 1.00 0.00 H new ATOM 0 HB VAL B 83 2.193 9.731 2.962 1.00 0.00 H new ATOM 0 HG11 VAL B 83 3.335 9.695 5.159 1.00 0.00 H new ATOM 0 HG12 VAL B 83 4.456 9.261 3.846 1.00 0.00 H new ATOM 0 HG13 VAL B 83 4.515 10.888 4.565 1.00 0.00 H new ATOM 0 HG21 VAL B 83 1.488 11.316 4.740 1.00 0.00 H new ATOM 0 HG22 VAL B 83 2.663 12.510 4.140 1.00 0.00 H new ATOM 0 HG23 VAL B 83 1.280 12.034 3.125 1.00 0.00 H new ATOM 2703 N ALA B 84 5.868 11.341 2.754 1.00 0.00 N ATOM 2704 CA ALA B 84 7.050 12.087 3.169 1.00 0.00 C ATOM 2705 C ALA B 84 7.596 12.909 2.006 1.00 0.00 C ATOM 2706 O ALA B 84 8.157 13.987 2.203 1.00 0.00 O ATOM 2707 CB ALA B 84 8.129 11.125 3.668 1.00 0.00 C ATOM 0 H ALA B 84 5.988 10.328 2.739 1.00 0.00 H new ATOM 0 HA ALA B 84 6.767 12.762 3.977 1.00 0.00 H new ATOM 0 HB1 ALA B 84 9.008 11.692 3.976 1.00 0.00 H new ATOM 0 HB2 ALA B 84 7.747 10.559 4.517 1.00 0.00 H new ATOM 0 HB3 ALA B 84 8.402 10.438 2.867 1.00 0.00 H new ATOM 2713 N CYS B 85 7.430 12.391 0.793 1.00 0.00 N ATOM 2714 CA CYS B 85 7.912 13.084 -0.397 1.00 0.00 C ATOM 2715 C CYS B 85 7.028 14.285 -0.716 1.00 0.00 C ATOM 2716 O CYS B 85 7.524 15.389 -0.944 1.00 0.00 O ATOM 2717 CB CYS B 85 7.920 12.125 -1.590 1.00 0.00 C ATOM 2718 SG CYS B 85 8.564 12.982 -3.049 1.00 0.00 S ATOM 0 H CYS B 85 6.969 11.500 0.609 1.00 0.00 H new ATOM 0 HA CYS B 85 8.925 13.436 -0.203 1.00 0.00 H new ATOM 0 HB2 CYS B 85 8.535 11.254 -1.366 1.00 0.00 H new ATOM 0 HB3 CYS B 85 6.911 11.761 -1.785 1.00 0.00 H new ATOM 0 HG CYS B 85 8.573 12.167 -4.062 1.00 0.00 H new ATOM 2723 N ASN B 86 5.718 14.064 -0.732 1.00 0.00 N ATOM 2724 CA ASN B 86 4.775 15.136 -1.027 1.00 0.00 C ATOM 2725 C ASN B 86 4.977 16.309 -0.072 1.00 0.00 C ATOM 2726 O ASN B 86 4.979 17.467 -0.488 1.00 0.00 O ATOM 2727 CB ASN B 86 3.340 14.618 -0.905 1.00 0.00 C ATOM 2728 CG ASN B 86 2.361 15.672 -1.411 1.00 0.00 C ATOM 2729 OD1 ASN B 86 1.989 15.662 -2.584 1.00 0.00 O ATOM 2730 ND2 ASN B 86 1.919 16.586 -0.591 1.00 0.00 N ATOM 0 H ASN B 86 5.287 13.158 -0.545 1.00 0.00 H new ATOM 0 HA ASN B 86 4.953 15.479 -2.046 1.00 0.00 H new ATOM 0 HB2 ASN B 86 3.226 13.699 -1.479 1.00 0.00 H new ATOM 0 HB3 ASN B 86 3.120 14.374 0.134 1.00 0.00 H new ATOM 0 HD21 ASN B 86 1.264 17.294 -0.922 1.00 0.00 H new ATOM 0 HD22 ASN B 86 2.229 16.592 0.381 1.00 0.00 H new ATOM 2737 N ASN B 87 5.145 16.000 1.209 1.00 0.00 N ATOM 2738 CA ASN B 87 5.345 17.037 2.215 1.00 0.00 C ATOM 2739 C ASN B 87 6.676 17.750 1.996 1.00 0.00 C ATOM 2740 O ASN B 87 6.792 18.953 2.232 1.00 0.00 O ATOM 2741 CB ASN B 87 5.320 16.419 3.614 1.00 0.00 C ATOM 2742 CG ASN B 87 3.924 15.890 3.925 1.00 0.00 C ATOM 2743 OD1 ASN B 87 3.345 15.071 3.091 1.00 0.00 O flip ATOM 2744 ND2 ASN B 87 3.346 16.232 4.957 1.00 0.00 N flip ATOM 0 H ASN B 87 5.147 15.047 1.574 1.00 0.00 H new ATOM 0 HA ASN B 87 4.538 17.764 2.124 1.00 0.00 H new ATOM 0 HB2 ASN B 87 6.047 15.609 3.676 1.00 0.00 H new ATOM 0 HB3 ASN B 87 5.609 17.164 4.355 1.00 0.00 H new ATOM 0 HD21 ASN B 87 3.801 16.872 5.608 1.00 0.00 H new ATOM 0 HD22 ASN B 87 2.413 15.875 5.161 1.00 0.00 H new