USER MOD reduce.3.24.130724 H: found=0, std=0, add=944, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 946 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 19 ASN : amide:sc= -5.62! C(o=-6.9!,f=-7.1!) USER MOD Set 1.2: A 92 TYR OH : rot 15:sc= -1.26 USER MOD Set 2.1: A 26 SER OG : rot 37:sc= 0.988 USER MOD Set 2.2: A 73 ASN :FLIP amide:sc= -0.256 F(o=-2.4,f=-0.91) USER MOD Set 2.3: A 79 TYR OH : rot 60:sc= -1.64 USER MOD Set 3.1: A 18 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 22 HIS :FLIP no HD1:sc= -3.34 F(o=-4.6!,f=-3.3) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot -59:sc= -0.322 USER MOD Single : A 11 TYR OH : rot 180:sc= -0.16 USER MOD Single : A 12 ASN : amide:sc= -0.0573 X(o=-0.057,f=0) USER MOD Single : A 13 GLN :FLIP amide:sc= -2.83 F(o=-4.7!,f=-2.8) USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot -6:sc= 0.197 USER MOD Single : A 21 HIS :FLIP no HD1:sc= -0.7 F(o=-1.8,f=-0.7) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot -163:sc= 1.23 USER MOD Single : A 32 SER OG : rot 180:sc= -0.585 USER MOD Single : A 33 SER OG : rot 73:sc= 0.0463 USER MOD Single : A 34 TYR OH : rot 30:sc= 0 USER MOD Single : A 36 HIS : no HE2:sc= -6.36! C(o=-6.4!,f=-7.1!) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0.0298 USER MOD Single : A 40 ASN : amide:sc= -0.0212 K(o=-0.021,f=-2.8!) USER MOD Single : A 42 TYR OH : rot 104:sc= 0.00654 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.0357 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ -161:sc= 0.458 (180deg=0.308) USER MOD Single : A 60 SER OG : rot -43:sc= 0.35 USER MOD Single : A 67 LYS NZ :NH3+ -162:sc=0.000342 (180deg=0) USER MOD Single : A 68 HIS : no HD1:sc= -4.64 K(o=-4.6,f=-6.5!) USER MOD Single : A 69 SER OG : rot 180:sc=-0.00555 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 HIS :FLIP no HD1:sc= -2.95! C(o=-5.6!,f=-3!) USER MOD Single : A 85 THR OG1 : rot -157:sc= -0.344 USER MOD Single : A 90 HIS :FLIP no HE2:sc= -0.583 F(o=-2,f=-0.58) USER MOD Single : A 93 LYS NZ :NH3+ -157:sc= -1.22 (180deg=-1.82) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ 164:sc=-0.00299 (180deg=-0.0547) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 ASN : amide:sc= -0.23 K(o=-0.23,f=-2.4!) USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 111 THR OG1 : rot 160:sc= 0 USER MOD Single : A 112 TYR OH : rot 180:sc= 0 USER MOD Single : A 114 ASN : amide:sc= -0.0502 K(o=-0.05,f=-1.8!) USER MOD Single : A 115 LYS NZ :NH3+ -137:sc= -0.196 (180deg=-0.963) USER MOD Single : A 132 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 135 SER OG : rot 180:sc= -0.0215 USER MOD Single : A 136 HIS :FLIP no HD1:sc= -4.12! C(o=-5.6!,f=-4.1!) USER MOD ----------------------------------------------------------------- ATOM 13 N VAL A 2 3.228 1.614 -2.638 1.00 0.00 N ATOM 14 CA VAL A 2 3.851 2.883 -2.977 1.00 0.00 C ATOM 15 C VAL A 2 3.052 3.565 -4.088 1.00 0.00 C ATOM 16 O VAL A 2 2.551 2.925 -5.021 1.00 0.00 O ATOM 17 CB VAL A 2 5.305 2.600 -3.344 1.00 0.00 C ATOM 18 CG1 VAL A 2 5.406 1.876 -4.680 1.00 0.00 C ATOM 19 CG2 VAL A 2 6.093 3.895 -3.336 1.00 0.00 C ATOM 0 HA VAL A 2 3.849 3.581 -2.140 1.00 0.00 H new ATOM 0 HB VAL A 2 5.738 1.933 -2.598 1.00 0.00 H new ATOM 0 HG11 VAL A 2 6.454 1.689 -4.914 1.00 0.00 H new ATOM 0 HG12 VAL A 2 4.872 0.928 -4.621 1.00 0.00 H new ATOM 0 HG13 VAL A 2 4.964 2.493 -5.463 1.00 0.00 H new ATOM 0 HG21 VAL A 2 7.131 3.691 -3.598 1.00 0.00 H new ATOM 0 HG22 VAL A 2 5.664 4.586 -4.062 1.00 0.00 H new ATOM 0 HG23 VAL A 2 6.051 4.340 -2.342 1.00 0.00 H new ATOM 29 N THR A 3 2.829 4.854 -3.920 1.00 0.00 N ATOM 30 CA THR A 3 2.028 5.655 -4.831 1.00 0.00 C ATOM 31 C THR A 3 2.935 6.223 -5.894 1.00 0.00 C ATOM 32 O THR A 3 3.904 6.888 -5.583 1.00 0.00 O ATOM 33 CB THR A 3 1.277 6.714 -4.042 1.00 0.00 C ATOM 34 OG1 THR A 3 0.667 6.075 -2.941 1.00 0.00 O ATOM 35 CG2 THR A 3 0.138 7.279 -4.852 1.00 0.00 C ATOM 0 H THR A 3 3.205 5.385 -3.134 1.00 0.00 H new ATOM 0 HA THR A 3 1.272 5.055 -5.338 1.00 0.00 H new ATOM 0 HB THR A 3 1.979 7.499 -3.762 1.00 0.00 H new ATOM 0 HG1 THR A 3 0.175 6.736 -2.411 1.00 0.00 H new ATOM 0 HG21 THR A 3 -0.385 8.035 -4.266 1.00 0.00 H new ATOM 0 HG22 THR A 3 0.529 7.732 -5.763 1.00 0.00 H new ATOM 0 HG23 THR A 3 -0.555 6.479 -5.113 1.00 0.00 H new ATOM 43 N TRP A 4 2.736 5.824 -7.143 1.00 0.00 N ATOM 44 CA TRP A 4 3.542 6.295 -8.256 1.00 0.00 C ATOM 45 C TRP A 4 3.110 7.682 -8.679 1.00 0.00 C ATOM 46 O TRP A 4 1.928 7.963 -8.705 1.00 0.00 O ATOM 47 CB TRP A 4 3.419 5.290 -9.396 1.00 0.00 C ATOM 48 CG TRP A 4 4.038 3.986 -9.104 1.00 0.00 C ATOM 49 CD1 TRP A 4 3.716 3.178 -8.080 1.00 0.00 C ATOM 50 CD2 TRP A 4 5.121 3.334 -9.811 1.00 0.00 C ATOM 51 NE1 TRP A 4 4.552 2.098 -8.114 1.00 0.00 N ATOM 52 CE2 TRP A 4 5.424 2.110 -9.167 1.00 0.00 C ATOM 53 CE3 TRP A 4 5.896 3.651 -10.930 1.00 0.00 C ATOM 54 CZ2 TRP A 4 6.412 1.217 -9.616 1.00 0.00 C ATOM 55 CZ3 TRP A 4 6.907 2.803 -11.403 1.00 0.00 C ATOM 56 CH2 TRP A 4 7.164 1.585 -10.747 1.00 0.00 C ATOM 0 H TRP A 4 2.008 5.162 -7.411 1.00 0.00 H new ATOM 0 HA TRP A 4 4.588 6.371 -7.959 1.00 0.00 H new ATOM 0 HB2 TRP A 4 2.364 5.139 -9.623 1.00 0.00 H new ATOM 0 HB3 TRP A 4 3.881 5.709 -10.290 1.00 0.00 H new ATOM 0 HD1 TRP A 4 2.933 3.352 -7.357 1.00 0.00 H new ATOM 0 HE1 TRP A 4 4.528 1.352 -7.419 1.00 0.00 H new ATOM 0 HE3 TRP A 4 5.710 4.580 -11.448 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 6.588 0.279 -9.110 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 7.488 3.084 -12.269 1.00 0.00 H new ATOM 0 HH2 TRP A 4 7.941 0.930 -11.113 1.00 0.00 H new ATOM 67 N THR A 5 4.038 8.547 -9.055 1.00 0.00 N ATOM 68 CA THR A 5 3.679 9.924 -9.420 1.00 0.00 C ATOM 69 C THR A 5 4.521 10.317 -10.596 1.00 0.00 C ATOM 70 O THR A 5 5.679 9.923 -10.673 1.00 0.00 O ATOM 71 CB THR A 5 3.863 10.861 -8.224 1.00 0.00 C ATOM 72 OG1 THR A 5 2.658 10.905 -7.550 1.00 0.00 O ATOM 73 CG2 THR A 5 4.175 12.303 -8.577 1.00 0.00 C ATOM 0 H THR A 5 5.033 8.333 -9.118 1.00 0.00 H new ATOM 0 HA THR A 5 2.628 9.995 -9.698 1.00 0.00 H new ATOM 0 HB THR A 5 4.707 10.464 -7.660 1.00 0.00 H new ATOM 0 HG1 THR A 5 1.958 11.231 -8.153 1.00 0.00 H new ATOM 0 HG21 THR A 5 4.287 12.885 -7.662 1.00 0.00 H new ATOM 0 HG22 THR A 5 5.101 12.345 -9.150 1.00 0.00 H new ATOM 0 HG23 THR A 5 3.361 12.716 -9.173 1.00 0.00 H new ATOM 81 N CYS A 6 3.916 11.056 -11.518 1.00 0.00 N ATOM 82 CA CYS A 6 4.613 11.569 -12.679 1.00 0.00 C ATOM 83 C CYS A 6 4.575 13.089 -12.711 1.00 0.00 C ATOM 84 O CYS A 6 5.559 13.715 -12.361 1.00 0.00 O ATOM 85 CB CYS A 6 4.002 10.942 -13.920 1.00 0.00 C ATOM 86 SG CYS A 6 5.169 9.825 -14.702 1.00 0.00 S ATOM 0 H CYS A 6 2.930 11.313 -11.477 1.00 0.00 H new ATOM 0 HA CYS A 6 5.668 11.299 -12.637 1.00 0.00 H new ATOM 0 HB2 CYS A 6 3.095 10.400 -13.652 1.00 0.00 H new ATOM 0 HB3 CYS A 6 3.710 11.723 -14.623 1.00 0.00 H new ATOM 91 N GLY A 7 3.447 13.667 -13.147 1.00 0.00 N ATOM 92 CA GLY A 7 3.267 15.110 -13.252 1.00 0.00 C ATOM 93 C GLY A 7 3.080 15.720 -11.871 1.00 0.00 C ATOM 94 O GLY A 7 4.025 16.091 -11.196 1.00 0.00 O ATOM 0 H GLY A 7 2.628 13.134 -13.439 1.00 0.00 H new ATOM 0 HA2 GLY A 7 4.133 15.557 -13.740 1.00 0.00 H new ATOM 0 HA3 GLY A 7 2.400 15.331 -13.875 1.00 0.00 H new ATOM 98 N GLY A 8 1.838 15.755 -11.406 1.00 0.00 N ATOM 99 CA GLY A 8 1.498 16.276 -10.082 1.00 0.00 C ATOM 100 C GLY A 8 0.371 15.486 -9.440 1.00 0.00 C ATOM 101 O GLY A 8 -0.231 15.944 -8.481 1.00 0.00 O ATOM 0 H GLY A 8 1.033 15.422 -11.936 1.00 0.00 H new ATOM 0 HA2 GLY A 8 2.378 16.241 -9.440 1.00 0.00 H new ATOM 0 HA3 GLY A 8 1.206 17.323 -10.167 1.00 0.00 H new ATOM 105 N LEU A 9 0.029 14.323 -9.998 1.00 0.00 N ATOM 106 CA LEU A 9 -1.015 13.454 -9.476 1.00 0.00 C ATOM 107 C LEU A 9 -0.398 12.158 -8.981 1.00 0.00 C ATOM 108 O LEU A 9 0.692 11.764 -9.408 1.00 0.00 O ATOM 109 CB LEU A 9 -2.038 13.182 -10.584 1.00 0.00 C ATOM 110 CG LEU A 9 -2.773 14.461 -11.057 1.00 0.00 C ATOM 111 CD1 LEU A 9 -3.342 14.225 -12.459 1.00 0.00 C ATOM 112 CD2 LEU A 9 -3.883 14.843 -10.073 1.00 0.00 C ATOM 0 H LEU A 9 0.479 13.958 -10.837 1.00 0.00 H new ATOM 0 HA LEU A 9 -1.521 13.935 -8.639 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -1.532 12.725 -11.434 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -2.771 12.460 -10.225 1.00 0.00 H new ATOM 0 HG LEU A 9 -2.067 15.291 -11.094 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -3.861 15.122 -12.797 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -2.529 13.995 -13.148 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -4.042 13.390 -12.432 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -4.386 15.744 -10.424 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -4.604 14.028 -10.003 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -3.450 15.029 -9.090 1.00 0.00 H new ATOM 124 N LEU A 10 -1.093 11.509 -8.055 1.00 0.00 N ATOM 125 CA LEU A 10 -0.614 10.302 -7.401 1.00 0.00 C ATOM 126 C LEU A 10 -1.393 9.113 -7.937 1.00 0.00 C ATOM 127 O LEU A 10 -2.609 9.142 -7.997 1.00 0.00 O ATOM 128 CB LEU A 10 -0.776 10.450 -5.873 1.00 0.00 C ATOM 129 CG LEU A 10 0.499 10.938 -5.139 1.00 0.00 C ATOM 130 CD1 LEU A 10 0.890 12.360 -5.577 1.00 0.00 C ATOM 131 CD2 LEU A 10 0.272 10.929 -3.619 1.00 0.00 C ATOM 0 H LEU A 10 -2.014 11.810 -7.735 1.00 0.00 H new ATOM 0 HA LEU A 10 0.444 10.142 -7.610 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -1.587 11.150 -5.672 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -1.075 9.488 -5.457 1.00 0.00 H new ATOM 0 HG LEU A 10 1.308 10.256 -5.400 1.00 0.00 H new ATOM 0 HD11 LEU A 10 1.788 12.671 -5.043 1.00 0.00 H new ATOM 0 HD12 LEU A 10 1.084 12.370 -6.650 1.00 0.00 H new ATOM 0 HD13 LEU A 10 0.076 13.048 -5.349 1.00 0.00 H new ATOM 0 HD21 LEU A 10 1.175 11.274 -3.114 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -0.558 11.591 -3.371 1.00 0.00 H new ATOM 0 HD23 LEU A 10 0.038 9.916 -3.292 1.00 0.00 H new ATOM 143 N TYR A 11 -0.692 8.049 -8.284 1.00 0.00 N ATOM 144 CA TYR A 11 -1.204 6.890 -8.996 1.00 0.00 C ATOM 145 C TYR A 11 -0.887 5.679 -8.153 1.00 0.00 C ATOM 146 O TYR A 11 0.208 5.117 -8.200 1.00 0.00 O ATOM 147 CB TYR A 11 -0.582 6.783 -10.390 1.00 0.00 C ATOM 148 CG TYR A 11 -0.882 7.953 -11.300 1.00 0.00 C ATOM 149 CD1 TYR A 11 -2.217 8.207 -11.677 1.00 0.00 C ATOM 150 CD2 TYR A 11 0.164 8.808 -11.721 1.00 0.00 C ATOM 151 CE1 TYR A 11 -2.513 9.315 -12.491 1.00 0.00 C ATOM 152 CE2 TYR A 11 -0.146 9.937 -12.511 1.00 0.00 C ATOM 153 CZ TYR A 11 -1.493 10.203 -12.888 1.00 0.00 C ATOM 154 OH TYR A 11 -1.807 11.209 -13.746 1.00 0.00 O ATOM 0 H TYR A 11 0.301 7.965 -8.066 1.00 0.00 H new ATOM 0 HA TYR A 11 -2.280 6.973 -9.149 1.00 0.00 H new ATOM 0 HB2 TYR A 11 0.499 6.687 -10.286 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -0.939 5.869 -10.864 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -3.009 7.553 -11.342 1.00 0.00 H new ATOM 0 HD2 TYR A 11 1.186 8.600 -11.442 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -3.529 9.487 -12.814 1.00 0.00 H new ATOM 0 HE2 TYR A 11 0.643 10.602 -12.831 1.00 0.00 H new ATOM 0 HH TYR A 11 -1.006 11.743 -13.931 1.00 0.00 H new ATOM 164 N ASN A 12 -1.816 5.304 -7.284 1.00 0.00 N ATOM 165 CA ASN A 12 -1.604 4.142 -6.449 1.00 0.00 C ATOM 166 C ASN A 12 -1.252 2.963 -7.335 1.00 0.00 C ATOM 167 O ASN A 12 -2.075 2.609 -8.160 1.00 0.00 O ATOM 168 CB ASN A 12 -2.857 3.868 -5.601 1.00 0.00 C ATOM 169 CG ASN A 12 -2.485 3.671 -4.160 1.00 0.00 C ATOM 170 OD1 ASN A 12 -3.053 4.251 -3.270 1.00 0.00 O ATOM 171 ND2 ASN A 12 -1.551 2.795 -3.878 1.00 0.00 N ATOM 0 H ASN A 12 -2.707 5.781 -7.144 1.00 0.00 H new ATOM 0 HA ASN A 12 -0.778 4.315 -5.758 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -3.554 4.701 -5.692 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -3.369 2.981 -5.975 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -1.306 2.605 -2.906 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -1.069 2.303 -4.631 1.00 0.00 H new ATOM 178 N GLN A 13 -0.089 2.333 -7.158 1.00 0.00 N ATOM 179 CA GLN A 13 0.288 1.200 -8.004 1.00 0.00 C ATOM 180 C GLN A 13 -0.793 0.163 -8.033 1.00 0.00 C ATOM 181 O GLN A 13 -1.192 -0.193 -9.122 1.00 0.00 O ATOM 182 CB GLN A 13 1.508 0.524 -7.434 1.00 0.00 C ATOM 183 CG GLN A 13 1.724 -0.905 -8.007 1.00 0.00 C ATOM 184 CD GLN A 13 3.152 -1.163 -8.381 1.00 0.00 C ATOM 185 OE1 GLN A 13 3.670 -0.287 -9.176 1.00 0.00 O flip ATOM 186 NE2 GLN A 13 3.883 -1.975 -7.867 1.00 0.00 N flip ATOM 0 H GLN A 13 0.599 2.583 -6.448 1.00 0.00 H new ATOM 0 HA GLN A 13 0.469 1.592 -9.005 1.00 0.00 H new ATOM 0 HB2 GLN A 13 2.387 1.132 -7.645 1.00 0.00 H new ATOM 0 HB3 GLN A 13 1.413 0.466 -6.350 1.00 0.00 H new ATOM 0 HG2 GLN A 13 1.406 -1.641 -7.268 1.00 0.00 H new ATOM 0 HG3 GLN A 13 1.092 -1.041 -8.884 1.00 0.00 H new ATOM 0 HE21 GLN A 13 3.500 -2.678 -7.235 1.00 0.00 H new ATOM 0 HE22 GLN A 13 4.883 -1.958 -8.065 1.00 0.00 H new ATOM 195 N ASN A 14 -1.273 -0.256 -6.856 1.00 0.00 N ATOM 196 CA ASN A 14 -2.338 -1.236 -6.750 1.00 0.00 C ATOM 197 C ASN A 14 -3.511 -0.847 -7.629 1.00 0.00 C ATOM 198 O ASN A 14 -4.122 -1.703 -8.195 1.00 0.00 O ATOM 199 CB ASN A 14 -2.899 -1.274 -5.334 1.00 0.00 C ATOM 200 CG ASN A 14 -3.517 -2.616 -4.989 1.00 0.00 C ATOM 201 OD1 ASN A 14 -3.791 -3.479 -5.784 1.00 0.00 O ATOM 202 ND2 ASN A 14 -3.823 -2.791 -3.740 1.00 0.00 N ATOM 0 H ASN A 14 -0.928 0.080 -5.957 1.00 0.00 H new ATOM 0 HA ASN A 14 -1.907 -2.194 -7.042 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -2.102 -1.052 -4.625 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -3.651 -0.492 -5.223 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -4.288 -3.649 -3.444 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -3.598 -2.070 -3.054 1.00 0.00 H new ATOM 209 N LYS A 15 -3.850 0.437 -7.766 1.00 0.00 N ATOM 210 CA LYS A 15 -4.771 0.945 -8.785 1.00 0.00 C ATOM 211 C LYS A 15 -4.234 0.946 -10.209 1.00 0.00 C ATOM 212 O LYS A 15 -4.919 0.400 -11.046 1.00 0.00 O ATOM 213 CB LYS A 15 -5.169 2.374 -8.428 1.00 0.00 C ATOM 214 CG LYS A 15 -6.536 2.359 -7.762 1.00 0.00 C ATOM 215 CD LYS A 15 -6.556 3.304 -6.556 1.00 0.00 C ATOM 216 CE LYS A 15 -7.831 3.075 -5.741 1.00 0.00 C ATOM 217 NZ LYS A 15 -7.606 2.068 -4.672 1.00 0.00 N ATOM 0 H LYS A 15 -3.483 1.169 -7.158 1.00 0.00 H new ATOM 0 HA LYS A 15 -5.614 0.254 -8.778 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -4.430 2.814 -7.759 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -5.195 2.992 -9.325 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -7.300 2.659 -8.479 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -6.780 1.346 -7.442 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -5.679 3.132 -5.932 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -6.509 4.340 -6.893 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -8.157 4.016 -5.297 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -8.632 2.739 -6.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -8.485 1.931 -4.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -7.318 1.165 -5.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -6.857 2.402 -4.032 1.00 0.00 H new ATOM 231 N ALA A 16 -3.062 1.483 -10.509 1.00 0.00 N ATOM 232 CA ALA A 16 -2.430 1.363 -11.811 1.00 0.00 C ATOM 233 C ALA A 16 -2.421 -0.059 -12.337 1.00 0.00 C ATOM 234 O ALA A 16 -2.649 -0.193 -13.519 1.00 0.00 O ATOM 235 CB ALA A 16 -1.002 1.874 -11.736 1.00 0.00 C ATOM 0 H ALA A 16 -2.514 2.025 -9.841 1.00 0.00 H new ATOM 0 HA ALA A 16 -3.021 1.963 -12.503 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -0.531 1.782 -12.715 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -1.006 2.921 -11.432 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -0.443 1.286 -11.008 1.00 0.00 H new ATOM 241 N GLU A 17 -2.275 -1.082 -11.492 1.00 0.00 N ATOM 242 CA GLU A 17 -2.408 -2.490 -11.831 1.00 0.00 C ATOM 243 C GLU A 17 -3.871 -2.943 -11.684 1.00 0.00 C ATOM 244 O GLU A 17 -4.374 -3.668 -12.504 1.00 0.00 O ATOM 245 CB GLU A 17 -1.471 -3.343 -10.974 1.00 0.00 C ATOM 246 CG GLU A 17 -1.952 -3.454 -9.535 1.00 0.00 C ATOM 247 CD GLU A 17 -1.002 -4.203 -8.640 1.00 0.00 C ATOM 248 OE1 GLU A 17 0.210 -3.973 -8.809 1.00 0.00 O ATOM 249 OE2 GLU A 17 -1.516 -4.958 -7.788 1.00 0.00 O ATOM 0 H GLU A 17 -2.050 -0.938 -10.508 1.00 0.00 H new ATOM 0 HA GLU A 17 -2.119 -2.626 -12.873 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -1.392 -4.340 -11.407 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -0.471 -2.909 -10.989 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -2.104 -2.452 -9.133 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -2.921 -3.953 -9.522 1.00 0.00 H new ATOM 256 N SER A 18 -4.634 -2.547 -10.676 1.00 0.00 N ATOM 257 CA SER A 18 -5.977 -3.074 -10.408 1.00 0.00 C ATOM 258 C SER A 18 -6.929 -2.444 -11.383 1.00 0.00 C ATOM 259 O SER A 18 -7.532 -3.147 -12.167 1.00 0.00 O ATOM 260 CB SER A 18 -6.483 -2.698 -9.031 1.00 0.00 C ATOM 261 OG SER A 18 -7.850 -3.020 -8.906 1.00 0.00 O ATOM 0 H SER A 18 -4.338 -1.838 -10.005 1.00 0.00 H new ATOM 0 HA SER A 18 -5.921 -4.160 -10.490 1.00 0.00 H new ATOM 0 HB2 SER A 18 -5.908 -3.224 -8.269 1.00 0.00 H new ATOM 0 HB3 SER A 18 -6.337 -1.631 -8.861 1.00 0.00 H new ATOM 0 HG SER A 18 -8.164 -2.773 -8.011 1.00 0.00 H new ATOM 267 N ASN A 19 -7.057 -1.123 -11.407 1.00 0.00 N ATOM 268 CA ASN A 19 -7.737 -0.443 -12.484 1.00 0.00 C ATOM 269 C ASN A 19 -7.366 -0.919 -13.906 1.00 0.00 C ATOM 270 O ASN A 19 -8.200 -0.955 -14.809 1.00 0.00 O ATOM 271 CB ASN A 19 -7.483 1.045 -12.380 1.00 0.00 C ATOM 272 CG ASN A 19 -8.732 1.703 -12.921 1.00 0.00 C ATOM 273 OD1 ASN A 19 -9.364 2.442 -12.229 1.00 0.00 O ATOM 274 ND2 ASN A 19 -9.147 1.475 -14.146 1.00 0.00 N ATOM 0 H ASN A 19 -6.693 -0.504 -10.683 1.00 0.00 H new ATOM 0 HA ASN A 19 -8.791 -0.688 -12.357 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -7.299 1.341 -11.347 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -6.605 1.335 -12.957 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -9.995 1.926 -14.490 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -8.621 0.847 -14.754 1.00 0.00 H new ATOM 281 N SER A 20 -6.124 -1.343 -14.096 1.00 0.00 N ATOM 282 CA SER A 20 -5.721 -1.949 -15.355 1.00 0.00 C ATOM 283 C SER A 20 -6.033 -3.429 -15.472 1.00 0.00 C ATOM 284 O SER A 20 -6.164 -3.928 -16.573 1.00 0.00 O ATOM 285 CB SER A 20 -4.229 -1.767 -15.566 1.00 0.00 C ATOM 286 OG SER A 20 -3.398 -2.572 -14.767 1.00 0.00 O ATOM 0 H SER A 20 -5.383 -1.279 -13.398 1.00 0.00 H new ATOM 0 HA SER A 20 -6.307 -1.435 -16.116 1.00 0.00 H new ATOM 0 HB2 SER A 20 -4.001 -1.968 -16.613 1.00 0.00 H new ATOM 0 HB3 SER A 20 -3.979 -0.722 -15.381 1.00 0.00 H new ATOM 0 HG SER A 20 -3.944 -3.066 -14.120 1.00 0.00 H new ATOM 292 N HIS A 21 -6.158 -4.162 -14.368 1.00 0.00 N ATOM 293 CA HIS A 21 -6.478 -5.581 -14.302 1.00 0.00 C ATOM 294 C HIS A 21 -7.781 -5.820 -15.038 1.00 0.00 C ATOM 295 O HIS A 21 -7.905 -6.848 -15.688 1.00 0.00 O ATOM 296 CB HIS A 21 -6.555 -6.091 -12.837 1.00 0.00 C ATOM 297 CG HIS A 21 -5.253 -6.568 -12.245 1.00 0.00 C ATOM 298 ND1 HIS A 21 -3.990 -6.331 -12.719 1.00 0.00 N flip ATOM 299 CD2 HIS A 21 -5.148 -7.289 -11.072 1.00 0.00 C flip ATOM 300 CE1 HIS A 21 -3.099 -6.887 -11.820 1.00 0.00 C flip ATOM 301 NE2 HIS A 21 -3.827 -7.473 -10.838 1.00 0.00 N flip ATOM 0 H HIS A 21 -6.030 -3.754 -13.442 1.00 0.00 H new ATOM 0 HA HIS A 21 -5.679 -6.147 -14.780 1.00 0.00 H new ATOM 0 HB2 HIS A 21 -6.946 -5.288 -12.212 1.00 0.00 H new ATOM 0 HB3 HIS A 21 -7.275 -6.908 -12.793 1.00 0.00 H new ATOM 0 HD2 HIS A 21 -5.964 -7.640 -10.458 1.00 0.00 H new ATOM 0 HE1 HIS A 21 -2.021 -6.860 -11.888 1.00 0.00 H new ATOM 0 HE2 HIS A 21 -3.438 -7.977 -10.041 1.00 0.00 H new ATOM 310 N HIS A 22 -8.733 -4.888 -14.914 1.00 0.00 N ATOM 311 CA HIS A 22 -10.018 -4.949 -15.564 1.00 0.00 C ATOM 312 C HIS A 22 -9.862 -4.718 -17.052 1.00 0.00 C ATOM 313 O HIS A 22 -10.453 -5.481 -17.799 1.00 0.00 O ATOM 314 CB HIS A 22 -10.999 -3.931 -14.969 1.00 0.00 C ATOM 315 CG HIS A 22 -10.731 -3.445 -13.571 1.00 0.00 C ATOM 316 ND1 HIS A 22 -10.188 -4.163 -12.534 1.00 0.00 N flip ATOM 317 CD2 HIS A 22 -11.009 -2.160 -13.146 1.00 0.00 C flip ATOM 318 CE1 HIS A 22 -10.141 -3.318 -11.439 1.00 0.00 C flip ATOM 319 NE2 HIS A 22 -10.633 -2.114 -11.845 1.00 0.00 N flip ATOM 0 H HIS A 22 -8.613 -4.054 -14.340 1.00 0.00 H new ATOM 0 HA HIS A 22 -10.430 -5.944 -15.397 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -11.024 -3.063 -15.628 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -11.995 -4.374 -14.986 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -11.437 -1.359 -13.730 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -9.783 -3.566 -10.451 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -10.708 -1.289 -11.250 1.00 0.00 H new ATOM 328 N ALA A 23 -9.054 -3.715 -17.426 1.00 0.00 N ATOM 329 CA ALA A 23 -8.715 -3.390 -18.793 1.00 0.00 C ATOM 330 C ALA A 23 -8.485 -4.670 -19.635 1.00 0.00 C ATOM 331 O ALA A 23 -7.706 -5.544 -19.232 1.00 0.00 O ATOM 332 CB ALA A 23 -7.500 -2.466 -18.844 1.00 0.00 C ATOM 0 H ALA A 23 -8.610 -3.094 -16.750 1.00 0.00 H new ATOM 0 HA ALA A 23 -9.560 -2.859 -19.232 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -7.262 -2.234 -19.882 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -7.722 -1.543 -18.308 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -6.647 -2.960 -18.378 1.00 0.00 H new ATOM 338 N PRO A 24 -9.182 -4.810 -20.765 1.00 0.00 N ATOM 339 CA PRO A 24 -9.107 -6.001 -21.579 1.00 0.00 C ATOM 340 C PRO A 24 -7.763 -6.003 -22.273 1.00 0.00 C ATOM 341 O PRO A 24 -7.421 -5.043 -22.953 1.00 0.00 O ATOM 342 CB PRO A 24 -10.270 -5.930 -22.560 1.00 0.00 C ATOM 343 CG PRO A 24 -10.741 -4.484 -22.524 1.00 0.00 C ATOM 344 CD PRO A 24 -10.073 -3.823 -21.329 1.00 0.00 C ATOM 0 HA PRO A 24 -9.185 -6.925 -21.006 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -9.955 -6.216 -23.564 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -11.070 -6.611 -22.271 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -10.474 -3.969 -23.447 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -11.826 -4.435 -22.434 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -9.524 -2.932 -21.634 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -10.814 -3.505 -20.596 1.00 0.00 H new ATOM 352 N LEU A 25 -6.990 -7.070 -22.073 1.00 0.00 N ATOM 353 CA LEU A 25 -5.687 -7.266 -22.679 1.00 0.00 C ATOM 354 C LEU A 25 -5.752 -7.296 -24.184 1.00 0.00 C ATOM 355 O LEU A 25 -5.928 -8.368 -24.732 1.00 0.00 O ATOM 356 CB LEU A 25 -5.044 -8.558 -22.127 1.00 0.00 C ATOM 357 CG LEU A 25 -3.582 -8.390 -21.744 1.00 0.00 C ATOM 358 CD1 LEU A 25 -3.358 -7.107 -20.975 1.00 0.00 C ATOM 359 CD2 LEU A 25 -3.167 -9.611 -20.922 1.00 0.00 C ATOM 0 H LEU A 25 -7.268 -7.841 -21.466 1.00 0.00 H new ATOM 0 HA LEU A 25 -5.064 -6.412 -22.414 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -5.605 -8.889 -21.253 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -5.127 -9.345 -22.876 1.00 0.00 H new ATOM 0 HG LEU A 25 -2.969 -8.321 -22.643 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -2.303 -7.017 -20.716 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.654 -6.258 -21.590 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -3.955 -7.120 -20.063 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -2.120 -9.517 -20.633 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -3.786 -9.675 -20.027 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.299 -10.513 -21.519 1.00 0.00 H new ATOM 371 N SER A 26 -5.660 -6.132 -24.814 1.00 0.00 N ATOM 372 CA SER A 26 -5.875 -5.935 -26.244 1.00 0.00 C ATOM 373 C SER A 26 -5.553 -4.503 -26.623 1.00 0.00 C ATOM 374 O SER A 26 -5.717 -3.605 -25.810 1.00 0.00 O ATOM 375 CB SER A 26 -7.301 -6.261 -26.713 1.00 0.00 C ATOM 376 OG SER A 26 -7.463 -7.648 -26.913 1.00 0.00 O ATOM 0 H SER A 26 -5.425 -5.267 -24.327 1.00 0.00 H new ATOM 0 HA SER A 26 -5.207 -6.637 -26.743 1.00 0.00 H new ATOM 0 HB2 SER A 26 -8.020 -5.910 -25.973 1.00 0.00 H new ATOM 0 HB3 SER A 26 -7.513 -5.729 -27.640 1.00 0.00 H new ATOM 0 HG SER A 26 -6.963 -8.138 -26.227 1.00 0.00 H new ATOM 382 N ASP A 27 -5.083 -4.276 -27.841 1.00 0.00 N ATOM 383 CA ASP A 27 -4.801 -2.951 -28.374 1.00 0.00 C ATOM 384 C ASP A 27 -6.045 -2.363 -28.991 1.00 0.00 C ATOM 385 O ASP A 27 -6.524 -2.902 -29.975 1.00 0.00 O ATOM 386 CB ASP A 27 -3.658 -3.025 -29.385 1.00 0.00 C ATOM 387 CG ASP A 27 -3.820 -2.228 -30.690 1.00 0.00 C ATOM 388 OD1 ASP A 27 -3.588 -1.007 -30.563 1.00 0.00 O ATOM 389 OD2 ASP A 27 -3.846 -2.805 -31.802 1.00 0.00 O ATOM 0 H ASP A 27 -4.882 -5.026 -28.502 1.00 0.00 H new ATOM 0 HA ASP A 27 -4.489 -2.295 -27.561 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -2.748 -2.683 -28.892 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -3.505 -4.072 -29.646 1.00 0.00 H new ATOM 394 N GLY A 28 -6.578 -1.294 -28.410 1.00 0.00 N ATOM 395 CA GLY A 28 -7.742 -0.661 -29.010 1.00 0.00 C ATOM 396 C GLY A 28 -8.877 -1.653 -29.239 1.00 0.00 C ATOM 397 O GLY A 28 -9.208 -2.015 -30.363 1.00 0.00 O ATOM 0 H GLY A 28 -6.236 -0.860 -27.553 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -8.090 0.145 -28.364 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -7.459 -0.208 -29.960 1.00 0.00 H new ATOM 401 N LYS A 29 -9.524 -2.073 -28.157 1.00 0.00 N ATOM 402 CA LYS A 29 -10.666 -2.993 -28.221 1.00 0.00 C ATOM 403 C LYS A 29 -11.746 -2.648 -27.233 1.00 0.00 C ATOM 404 O LYS A 29 -12.558 -3.483 -26.856 1.00 0.00 O ATOM 405 CB LYS A 29 -10.138 -4.427 -28.101 1.00 0.00 C ATOM 406 CG LYS A 29 -10.017 -5.086 -29.494 1.00 0.00 C ATOM 407 CD LYS A 29 -11.098 -6.155 -29.704 1.00 0.00 C ATOM 408 CE LYS A 29 -12.303 -5.573 -30.449 1.00 0.00 C ATOM 409 NZ LYS A 29 -13.405 -6.558 -30.483 1.00 0.00 N ATOM 0 H LYS A 29 -9.276 -1.789 -27.209 1.00 0.00 H new ATOM 0 HA LYS A 29 -11.166 -2.895 -29.184 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -9.164 -4.421 -27.611 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -10.808 -5.014 -27.473 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -10.103 -4.323 -30.268 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -9.031 -5.538 -29.600 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -10.684 -6.990 -30.269 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -11.417 -6.550 -28.739 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -12.637 -4.659 -29.958 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -12.016 -5.302 -31.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -14.217 -6.153 -30.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -13.086 -7.419 -30.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -13.688 -6.796 -29.511 1.00 0.00 H new ATOM 423 N THR A 30 -11.747 -1.407 -26.796 1.00 0.00 N ATOM 424 CA THR A 30 -12.611 -0.971 -25.713 1.00 0.00 C ATOM 425 C THR A 30 -13.307 0.256 -26.202 1.00 0.00 C ATOM 426 O THR A 30 -12.736 0.947 -27.044 1.00 0.00 O ATOM 427 CB THR A 30 -11.761 -0.663 -24.486 1.00 0.00 C ATOM 428 OG1 THR A 30 -11.156 0.585 -24.689 1.00 0.00 O ATOM 429 CG2 THR A 30 -10.640 -1.665 -24.245 1.00 0.00 C ATOM 0 H THR A 30 -11.152 -0.672 -27.178 1.00 0.00 H new ATOM 0 HA THR A 30 -13.335 -1.735 -25.430 1.00 0.00 H new ATOM 0 HB THR A 30 -12.426 -0.696 -23.623 1.00 0.00 H new ATOM 0 HG1 THR A 30 -10.413 0.695 -24.060 1.00 0.00 H new ATOM 0 HG21 THR A 30 -10.080 -1.378 -23.355 1.00 0.00 H new ATOM 0 HG22 THR A 30 -11.065 -2.659 -24.102 1.00 0.00 H new ATOM 0 HG23 THR A 30 -9.971 -1.677 -25.106 1.00 0.00 H new ATOM 437 N GLY A 31 -14.504 0.524 -25.696 1.00 0.00 N ATOM 438 CA GLY A 31 -15.273 1.691 -26.052 1.00 0.00 C ATOM 439 C GLY A 31 -14.412 2.936 -26.229 1.00 0.00 C ATOM 440 O GLY A 31 -14.302 3.459 -27.332 1.00 0.00 O ATOM 0 H GLY A 31 -14.968 -0.078 -25.016 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -15.814 1.495 -26.978 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -16.019 1.878 -25.280 1.00 0.00 H new ATOM 444 N SER A 32 -13.818 3.421 -25.148 1.00 0.00 N ATOM 445 CA SER A 32 -12.881 4.512 -25.232 1.00 0.00 C ATOM 446 C SER A 32 -11.789 4.270 -26.219 1.00 0.00 C ATOM 447 O SER A 32 -11.743 5.072 -27.150 1.00 0.00 O ATOM 448 CB SER A 32 -12.275 4.863 -23.884 1.00 0.00 C ATOM 449 OG SER A 32 -11.456 6.024 -23.925 1.00 0.00 O ATOM 0 H SER A 32 -13.975 3.069 -24.203 1.00 0.00 H new ATOM 0 HA SER A 32 -13.472 5.359 -25.581 1.00 0.00 H new ATOM 0 HB2 SER A 32 -13.076 5.017 -23.161 1.00 0.00 H new ATOM 0 HB3 SER A 32 -11.682 4.020 -23.528 1.00 0.00 H new ATOM 0 HG SER A 32 -11.095 6.202 -23.031 1.00 0.00 H new ATOM 455 N SER A 33 -10.932 3.270 -25.955 1.00 0.00 N ATOM 456 CA SER A 33 -9.805 2.830 -26.787 1.00 0.00 C ATOM 457 C SER A 33 -8.839 2.027 -25.945 1.00 0.00 C ATOM 458 O SER A 33 -8.529 0.889 -26.251 1.00 0.00 O ATOM 459 CB SER A 33 -9.037 4.024 -27.377 1.00 0.00 C ATOM 460 OG SER A 33 -9.367 4.180 -28.735 1.00 0.00 O ATOM 0 H SER A 33 -11.014 2.715 -25.103 1.00 0.00 H new ATOM 0 HA SER A 33 -10.213 2.230 -27.601 1.00 0.00 H new ATOM 0 HB2 SER A 33 -9.282 4.933 -26.827 1.00 0.00 H new ATOM 0 HB3 SER A 33 -7.964 3.866 -27.270 1.00 0.00 H new ATOM 0 HG SER A 33 -10.278 4.534 -28.812 1.00 0.00 H new ATOM 466 N TYR A 34 -8.409 2.599 -24.833 1.00 0.00 N ATOM 467 CA TYR A 34 -7.479 1.976 -23.929 1.00 0.00 C ATOM 468 C TYR A 34 -7.976 0.652 -23.297 1.00 0.00 C ATOM 469 O TYR A 34 -9.122 0.597 -22.863 1.00 0.00 O ATOM 470 CB TYR A 34 -7.175 2.968 -22.829 1.00 0.00 C ATOM 471 CG TYR A 34 -6.737 4.312 -23.336 1.00 0.00 C ATOM 472 CD1 TYR A 34 -7.701 5.322 -23.569 1.00 0.00 C ATOM 473 CD2 TYR A 34 -5.367 4.566 -23.514 1.00 0.00 C ATOM 474 CE1 TYR A 34 -7.311 6.604 -24.009 1.00 0.00 C ATOM 475 CE2 TYR A 34 -5.022 5.859 -23.926 1.00 0.00 C ATOM 476 CZ TYR A 34 -5.947 6.881 -24.195 1.00 0.00 C ATOM 477 OH TYR A 34 -5.523 8.077 -24.683 1.00 0.00 O ATOM 0 H TYR A 34 -8.707 3.528 -24.535 1.00 0.00 H new ATOM 0 HA TYR A 34 -6.598 1.707 -24.512 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -8.063 3.094 -22.210 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -6.394 2.559 -22.188 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -8.747 5.108 -23.408 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -4.620 3.805 -23.342 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -8.053 7.364 -24.201 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -3.973 6.086 -24.045 1.00 0.00 H new ATOM 0 HH TYR A 34 -6.156 8.779 -24.423 1.00 0.00 H new ATOM 487 N PRO A 35 -7.082 -0.310 -23.023 1.00 0.00 N ATOM 488 CA PRO A 35 -5.667 -0.175 -23.271 1.00 0.00 C ATOM 489 C PRO A 35 -5.398 -0.296 -24.755 1.00 0.00 C ATOM 490 O PRO A 35 -6.172 -0.820 -25.542 1.00 0.00 O ATOM 491 CB PRO A 35 -4.978 -1.219 -22.434 1.00 0.00 C ATOM 492 CG PRO A 35 -6.069 -2.242 -22.114 1.00 0.00 C ATOM 493 CD PRO A 35 -7.415 -1.591 -22.442 1.00 0.00 C ATOM 0 HA PRO A 35 -5.278 0.803 -22.986 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -4.151 -1.678 -22.976 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -4.562 -0.786 -21.524 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -5.928 -3.150 -22.701 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -6.028 -2.531 -21.064 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -7.989 -2.202 -23.138 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -8.024 -1.471 -21.546 1.00 0.00 H new ATOM 501 N HIS A 36 -4.351 0.372 -25.183 1.00 0.00 N ATOM 502 CA HIS A 36 -3.933 0.356 -26.585 1.00 0.00 C ATOM 503 C HIS A 36 -2.488 -0.035 -26.659 1.00 0.00 C ATOM 504 O HIS A 36 -1.848 -0.002 -25.616 1.00 0.00 O ATOM 505 CB HIS A 36 -4.288 1.668 -27.282 1.00 0.00 C ATOM 506 CG HIS A 36 -3.816 2.927 -26.627 1.00 0.00 C ATOM 507 ND1 HIS A 36 -4.160 4.192 -27.042 1.00 0.00 N ATOM 508 CD2 HIS A 36 -2.962 3.037 -25.576 1.00 0.00 C ATOM 509 CE1 HIS A 36 -3.448 5.062 -26.301 1.00 0.00 C ATOM 510 NE2 HIS A 36 -2.734 4.372 -25.387 1.00 0.00 N ATOM 0 H HIS A 36 -3.760 0.943 -24.579 1.00 0.00 H new ATOM 0 HA HIS A 36 -4.485 -0.398 -27.145 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -3.881 1.637 -28.293 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -5.373 1.720 -27.377 1.00 0.00 H new ATOM 0 HD1 HIS A 36 -4.830 4.427 -27.775 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -2.543 2.225 -25.000 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -3.448 6.136 -26.419 1.00 0.00 H new ATOM 519 N TRP A 37 -2.021 -0.487 -27.824 1.00 0.00 N ATOM 520 CA TRP A 37 -0.609 -0.837 -27.987 1.00 0.00 C ATOM 521 C TRP A 37 0.248 0.382 -27.674 1.00 0.00 C ATOM 522 O TRP A 37 -0.125 1.515 -27.974 1.00 0.00 O ATOM 523 CB TRP A 37 -0.341 -1.265 -29.422 1.00 0.00 C ATOM 524 CG TRP A 37 1.081 -1.468 -29.785 1.00 0.00 C ATOM 525 CD1 TRP A 37 2.014 -2.158 -29.094 1.00 0.00 C ATOM 526 CD2 TRP A 37 1.746 -0.980 -30.962 1.00 0.00 C ATOM 527 NE1 TRP A 37 3.218 -2.085 -29.742 1.00 0.00 N ATOM 528 CE2 TRP A 37 3.110 -1.388 -30.908 1.00 0.00 C ATOM 529 CE3 TRP A 37 1.321 -0.232 -32.073 1.00 0.00 C ATOM 530 CZ2 TRP A 37 4.022 -1.059 -31.905 1.00 0.00 C ATOM 531 CZ3 TRP A 37 2.199 0.098 -33.115 1.00 0.00 C ATOM 532 CH2 TRP A 37 3.538 -0.312 -32.995 1.00 0.00 C ATOM 0 H TRP A 37 -2.592 -0.618 -28.659 1.00 0.00 H new ATOM 0 HA TRP A 37 -0.365 -1.656 -27.310 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -0.879 -2.194 -29.610 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -0.762 -0.513 -30.089 1.00 0.00 H new ATOM 0 HD1 TRP A 37 1.837 -2.688 -28.170 1.00 0.00 H new ATOM 0 HE1 TRP A 37 4.084 -2.499 -29.397 1.00 0.00 H new ATOM 0 HE3 TRP A 37 0.294 0.097 -32.125 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 5.056 -1.363 -31.845 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 1.858 0.648 -33.980 1.00 0.00 H new ATOM 0 HH2 TRP A 37 4.230 -0.040 -33.778 1.00 0.00 H new ATOM 543 N PHE A 38 1.434 0.119 -27.158 1.00 0.00 N ATOM 544 CA PHE A 38 2.333 1.094 -26.611 1.00 0.00 C ATOM 545 C PHE A 38 3.628 0.805 -27.296 1.00 0.00 C ATOM 546 O PHE A 38 4.510 0.151 -26.734 1.00 0.00 O ATOM 547 CB PHE A 38 2.515 0.924 -25.102 1.00 0.00 C ATOM 548 CG PHE A 38 3.516 1.879 -24.491 1.00 0.00 C ATOM 549 CD1 PHE A 38 3.591 3.218 -24.931 1.00 0.00 C ATOM 550 CD2 PHE A 38 4.432 1.403 -23.535 1.00 0.00 C ATOM 551 CE1 PHE A 38 4.543 4.088 -24.380 1.00 0.00 C ATOM 552 CE2 PHE A 38 5.398 2.266 -22.995 1.00 0.00 C ATOM 553 CZ PHE A 38 5.457 3.597 -23.429 1.00 0.00 C ATOM 0 H PHE A 38 1.806 -0.830 -27.111 1.00 0.00 H new ATOM 0 HA PHE A 38 1.963 2.108 -26.762 1.00 0.00 H new ATOM 0 HB2 PHE A 38 1.551 1.062 -24.612 1.00 0.00 H new ATOM 0 HB3 PHE A 38 2.833 -0.099 -24.898 1.00 0.00 H new ATOM 0 HD1 PHE A 38 2.914 3.573 -25.694 1.00 0.00 H new ATOM 0 HD2 PHE A 38 4.392 0.372 -23.216 1.00 0.00 H new ATOM 0 HE1 PHE A 38 4.574 5.124 -24.682 1.00 0.00 H new ATOM 0 HE2 PHE A 38 6.092 1.906 -22.249 1.00 0.00 H new ATOM 0 HZ PHE A 38 6.214 4.255 -23.028 1.00 0.00 H new ATOM 563 N THR A 39 3.718 1.267 -28.540 1.00 0.00 N ATOM 564 CA THR A 39 4.917 1.221 -29.356 1.00 0.00 C ATOM 565 C THR A 39 6.127 1.515 -28.514 1.00 0.00 C ATOM 566 O THR A 39 7.127 0.878 -28.724 1.00 0.00 O ATOM 567 CB THR A 39 4.860 2.290 -30.454 1.00 0.00 C ATOM 568 OG1 THR A 39 4.909 3.578 -29.874 1.00 0.00 O ATOM 569 CG2 THR A 39 3.584 2.203 -31.267 1.00 0.00 C ATOM 0 H THR A 39 2.928 1.698 -29.020 1.00 0.00 H new ATOM 0 HA THR A 39 4.980 0.225 -29.794 1.00 0.00 H new ATOM 0 HB THR A 39 5.714 2.116 -31.108 1.00 0.00 H new ATOM 0 HG1 THR A 39 4.874 4.256 -30.580 1.00 0.00 H new ATOM 0 HG21 THR A 39 3.587 2.979 -32.033 1.00 0.00 H new ATOM 0 HG22 THR A 39 3.522 1.224 -31.742 1.00 0.00 H new ATOM 0 HG23 THR A 39 2.725 2.343 -30.611 1.00 0.00 H new ATOM 577 N ASN A 40 6.051 2.392 -27.507 1.00 0.00 N ATOM 578 CA ASN A 40 7.145 2.748 -26.599 1.00 0.00 C ATOM 579 C ASN A 40 8.260 3.498 -27.362 1.00 0.00 C ATOM 580 O ASN A 40 9.389 3.657 -26.907 1.00 0.00 O ATOM 581 CB ASN A 40 7.626 1.482 -25.842 1.00 0.00 C ATOM 582 CG ASN A 40 8.629 1.785 -24.747 1.00 0.00 C ATOM 583 OD1 ASN A 40 8.759 2.875 -24.218 1.00 0.00 O ATOM 584 ND2 ASN A 40 9.398 0.804 -24.367 1.00 0.00 N ATOM 0 H ASN A 40 5.189 2.894 -27.294 1.00 0.00 H new ATOM 0 HA ASN A 40 6.798 3.446 -25.838 1.00 0.00 H new ATOM 0 HB2 ASN A 40 6.764 0.978 -25.406 1.00 0.00 H new ATOM 0 HB3 ASN A 40 8.074 0.789 -26.554 1.00 0.00 H new ATOM 0 HD21 ASN A 40 10.095 0.955 -23.638 1.00 0.00 H new ATOM 0 HD22 ASN A 40 9.303 -0.115 -24.799 1.00 0.00 H new ATOM 591 N GLY A 41 7.953 3.907 -28.592 1.00 0.00 N ATOM 592 CA GLY A 41 8.915 4.433 -29.523 1.00 0.00 C ATOM 593 C GLY A 41 9.251 3.498 -30.696 1.00 0.00 C ATOM 594 O GLY A 41 9.994 3.891 -31.591 1.00 0.00 O ATOM 0 H GLY A 41 7.004 3.876 -28.965 1.00 0.00 H new ATOM 0 HA2 GLY A 41 8.537 5.374 -29.923 1.00 0.00 H new ATOM 0 HA3 GLY A 41 9.834 4.662 -28.984 1.00 0.00 H new ATOM 598 N TYR A 42 8.752 2.266 -30.680 1.00 0.00 N ATOM 599 CA TYR A 42 9.010 1.261 -31.697 1.00 0.00 C ATOM 600 C TYR A 42 8.156 1.536 -32.918 1.00 0.00 C ATOM 601 O TYR A 42 7.212 2.323 -32.865 1.00 0.00 O ATOM 602 CB TYR A 42 8.716 -0.122 -31.115 1.00 0.00 C ATOM 603 CG TYR A 42 9.722 -0.574 -30.063 1.00 0.00 C ATOM 604 CD1 TYR A 42 9.965 0.135 -28.864 1.00 0.00 C ATOM 605 CD2 TYR A 42 10.428 -1.760 -30.281 1.00 0.00 C ATOM 606 CE1 TYR A 42 10.854 -0.357 -27.899 1.00 0.00 C ATOM 607 CE2 TYR A 42 11.366 -2.225 -29.347 1.00 0.00 C ATOM 608 CZ TYR A 42 11.580 -1.534 -28.146 1.00 0.00 C ATOM 609 OH TYR A 42 12.529 -1.940 -27.285 1.00 0.00 O ATOM 0 H TYR A 42 8.139 1.933 -29.936 1.00 0.00 H new ATOM 0 HA TYR A 42 10.055 1.296 -32.005 1.00 0.00 H new ATOM 0 HB2 TYR A 42 7.720 -0.115 -30.672 1.00 0.00 H new ATOM 0 HB3 TYR A 42 8.700 -0.851 -31.925 1.00 0.00 H new ATOM 0 HD1 TYR A 42 9.457 1.072 -28.689 1.00 0.00 H new ATOM 0 HD2 TYR A 42 10.249 -2.327 -31.182 1.00 0.00 H new ATOM 0 HE1 TYR A 42 10.981 0.169 -26.964 1.00 0.00 H new ATOM 0 HE2 TYR A 42 11.928 -3.123 -29.555 1.00 0.00 H new ATOM 0 HH TYR A 42 12.186 -2.684 -26.747 1.00 0.00 H new ATOM 619 N ASP A 43 8.462 0.841 -34.002 1.00 0.00 N ATOM 620 CA ASP A 43 7.653 0.957 -35.214 1.00 0.00 C ATOM 621 C ASP A 43 6.477 -0.010 -35.202 1.00 0.00 C ATOM 622 O ASP A 43 5.395 0.301 -35.685 1.00 0.00 O ATOM 623 CB ASP A 43 8.529 0.629 -36.429 1.00 0.00 C ATOM 624 CG ASP A 43 8.819 1.834 -37.338 1.00 0.00 C ATOM 625 OD1 ASP A 43 8.496 2.994 -36.987 1.00 0.00 O ATOM 626 OD2 ASP A 43 9.448 1.573 -38.383 1.00 0.00 O ATOM 0 H ASP A 43 9.251 0.199 -34.072 1.00 0.00 H new ATOM 0 HA ASP A 43 7.267 1.975 -35.263 1.00 0.00 H new ATOM 0 HB2 ASP A 43 9.475 0.215 -36.080 1.00 0.00 H new ATOM 0 HB3 ASP A 43 8.039 -0.147 -37.018 1.00 0.00 H new ATOM 631 N GLY A 44 6.697 -1.213 -34.670 1.00 0.00 N ATOM 632 CA GLY A 44 5.707 -2.275 -34.616 1.00 0.00 C ATOM 633 C GLY A 44 6.252 -3.555 -34.038 1.00 0.00 C ATOM 634 O GLY A 44 5.776 -4.017 -32.997 1.00 0.00 O ATOM 0 H GLY A 44 7.591 -1.476 -34.257 1.00 0.00 H new ATOM 0 HA2 GLY A 44 4.859 -1.944 -34.017 1.00 0.00 H new ATOM 0 HA3 GLY A 44 5.332 -2.467 -35.621 1.00 0.00 H new ATOM 638 N ASP A 45 7.269 -4.093 -34.699 1.00 0.00 N ATOM 639 CA ASP A 45 7.945 -5.322 -34.286 1.00 0.00 C ATOM 640 C ASP A 45 9.402 -5.043 -33.917 1.00 0.00 C ATOM 641 O ASP A 45 9.856 -5.253 -32.790 1.00 0.00 O ATOM 642 CB ASP A 45 7.907 -6.319 -35.462 1.00 0.00 C ATOM 643 CG ASP A 45 7.028 -7.548 -35.201 1.00 0.00 C ATOM 644 OD1 ASP A 45 7.347 -8.320 -34.275 1.00 0.00 O ATOM 645 OD2 ASP A 45 6.177 -7.905 -36.038 1.00 0.00 O ATOM 0 H ASP A 45 7.655 -3.684 -35.550 1.00 0.00 H new ATOM 0 HA ASP A 45 7.438 -5.731 -33.412 1.00 0.00 H new ATOM 0 HB2 ASP A 45 7.542 -5.805 -36.351 1.00 0.00 H new ATOM 0 HB3 ASP A 45 8.923 -6.649 -35.679 1.00 0.00 H new ATOM 650 N GLY A 46 10.174 -4.590 -34.913 1.00 0.00 N ATOM 651 CA GLY A 46 11.566 -4.235 -34.717 1.00 0.00 C ATOM 652 C GLY A 46 11.672 -3.140 -33.677 1.00 0.00 C ATOM 653 O GLY A 46 10.677 -2.506 -33.339 1.00 0.00 O ATOM 0 H GLY A 46 9.843 -4.463 -35.870 1.00 0.00 H new ATOM 0 HA2 GLY A 46 12.133 -5.109 -34.397 1.00 0.00 H new ATOM 0 HA3 GLY A 46 12.002 -3.899 -35.658 1.00 0.00 H new ATOM 657 N LYS A 47 12.896 -2.924 -33.189 1.00 0.00 N ATOM 658 CA LYS A 47 13.242 -1.896 -32.210 1.00 0.00 C ATOM 659 C LYS A 47 12.899 -0.493 -32.729 1.00 0.00 C ATOM 660 O LYS A 47 12.248 -0.293 -33.750 1.00 0.00 O ATOM 661 CB LYS A 47 14.694 -2.037 -31.715 1.00 0.00 C ATOM 662 CG LYS A 47 15.107 -3.512 -31.490 1.00 0.00 C ATOM 663 CD LYS A 47 16.056 -3.957 -32.616 1.00 0.00 C ATOM 664 CE LYS A 47 15.991 -5.474 -32.807 1.00 0.00 C ATOM 665 NZ LYS A 47 16.837 -5.886 -33.952 1.00 0.00 N ATOM 0 H LYS A 47 13.701 -3.481 -33.476 1.00 0.00 H new ATOM 0 HA LYS A 47 12.622 -2.049 -31.327 1.00 0.00 H new ATOM 0 HB2 LYS A 47 15.367 -1.582 -32.442 1.00 0.00 H new ATOM 0 HB3 LYS A 47 14.811 -1.485 -30.783 1.00 0.00 H new ATOM 0 HG2 LYS A 47 15.598 -3.620 -30.523 1.00 0.00 H new ATOM 0 HG3 LYS A 47 14.223 -4.149 -31.472 1.00 0.00 H new ATOM 0 HD2 LYS A 47 15.786 -3.456 -33.546 1.00 0.00 H new ATOM 0 HD3 LYS A 47 17.077 -3.658 -32.378 1.00 0.00 H new ATOM 0 HE2 LYS A 47 16.326 -5.976 -31.899 1.00 0.00 H new ATOM 0 HE3 LYS A 47 14.960 -5.782 -32.979 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 16.783 -6.918 -34.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 16.499 -5.421 -34.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 17.823 -5.609 -33.772 1.00 0.00 H new ATOM 679 N LEU A 48 13.368 0.511 -32.034 1.00 0.00 N ATOM 680 CA LEU A 48 13.103 1.848 -32.466 1.00 0.00 C ATOM 681 C LEU A 48 14.008 2.230 -33.648 1.00 0.00 C ATOM 682 O LEU A 48 15.115 1.697 -33.783 1.00 0.00 O ATOM 683 CB LEU A 48 13.270 2.778 -31.285 1.00 0.00 C ATOM 684 CG LEU A 48 12.383 2.414 -30.094 1.00 0.00 C ATOM 685 CD1 LEU A 48 13.076 1.364 -29.267 1.00 0.00 C ATOM 686 CD2 LEU A 48 12.112 3.634 -29.213 1.00 0.00 C ATOM 0 H LEU A 48 13.924 0.427 -31.183 1.00 0.00 H new ATOM 0 HA LEU A 48 12.079 1.931 -32.829 1.00 0.00 H new ATOM 0 HB2 LEU A 48 14.313 2.767 -30.968 1.00 0.00 H new ATOM 0 HB3 LEU A 48 13.043 3.797 -31.599 1.00 0.00 H new ATOM 0 HG LEU A 48 11.432 2.041 -30.476 1.00 0.00 H new ATOM 0 HD11 LEU A 48 12.449 1.099 -28.415 1.00 0.00 H new ATOM 0 HD12 LEU A 48 13.252 0.478 -29.877 1.00 0.00 H new ATOM 0 HD13 LEU A 48 14.029 1.753 -28.909 1.00 0.00 H new ATOM 0 HD21 LEU A 48 11.479 3.344 -28.375 1.00 0.00 H new ATOM 0 HD22 LEU A 48 13.056 4.027 -28.836 1.00 0.00 H new ATOM 0 HD23 LEU A 48 11.608 4.402 -29.800 1.00 0.00 H new ATOM 698 N PRO A 49 13.554 3.144 -34.516 1.00 0.00 N ATOM 699 CA PRO A 49 14.330 3.592 -35.650 1.00 0.00 C ATOM 700 C PRO A 49 15.484 4.481 -35.199 1.00 0.00 C ATOM 701 O PRO A 49 15.586 4.897 -34.041 1.00 0.00 O ATOM 702 CB PRO A 49 13.340 4.323 -36.561 1.00 0.00 C ATOM 703 CG PRO A 49 12.115 4.661 -35.691 1.00 0.00 C ATOM 704 CD PRO A 49 12.278 3.829 -34.427 1.00 0.00 C ATOM 0 HA PRO A 49 14.800 2.766 -36.184 1.00 0.00 H new ATOM 0 HB2 PRO A 49 13.786 5.229 -36.972 1.00 0.00 H new ATOM 0 HB3 PRO A 49 13.055 3.697 -37.406 1.00 0.00 H new ATOM 0 HG2 PRO A 49 12.079 5.725 -35.459 1.00 0.00 H new ATOM 0 HG3 PRO A 49 11.187 4.415 -36.207 1.00 0.00 H new ATOM 0 HD2 PRO A 49 12.246 4.465 -33.543 1.00 0.00 H new ATOM 0 HD3 PRO A 49 11.463 3.111 -34.333 1.00 0.00 H new ATOM 712 N LYS A 50 16.385 4.792 -36.138 1.00 0.00 N ATOM 713 CA LYS A 50 17.505 5.698 -35.882 1.00 0.00 C ATOM 714 C LYS A 50 16.962 7.069 -35.438 1.00 0.00 C ATOM 715 O LYS A 50 16.536 7.877 -36.256 1.00 0.00 O ATOM 716 CB LYS A 50 18.456 5.710 -37.092 1.00 0.00 C ATOM 717 CG LYS A 50 19.292 7.006 -37.178 1.00 0.00 C ATOM 718 CD LYS A 50 18.657 8.006 -38.170 1.00 0.00 C ATOM 719 CE LYS A 50 19.518 8.180 -39.406 1.00 0.00 C ATOM 720 NZ LYS A 50 19.021 7.316 -40.504 1.00 0.00 N ATOM 0 H LYS A 50 16.357 4.425 -37.089 1.00 0.00 H new ATOM 0 HA LYS A 50 18.122 5.354 -35.052 1.00 0.00 H new ATOM 0 HB2 LYS A 50 19.127 4.853 -37.031 1.00 0.00 H new ATOM 0 HB3 LYS A 50 17.875 5.595 -38.007 1.00 0.00 H new ATOM 0 HG2 LYS A 50 19.365 7.463 -36.191 1.00 0.00 H new ATOM 0 HG3 LYS A 50 20.307 6.768 -37.495 1.00 0.00 H new ATOM 0 HD2 LYS A 50 17.667 7.654 -38.461 1.00 0.00 H new ATOM 0 HD3 LYS A 50 18.521 8.970 -37.680 1.00 0.00 H new ATOM 0 HE2 LYS A 50 19.507 9.223 -39.721 1.00 0.00 H new ATOM 0 HE3 LYS A 50 20.553 7.928 -39.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 19.619 7.445 -41.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 19.054 6.321 -40.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 18.041 7.576 -40.734 1.00 0.00 H new ATOM 734 N GLY A 51 16.976 7.334 -34.142 1.00 0.00 N ATOM 735 CA GLY A 51 16.440 8.587 -33.619 1.00 0.00 C ATOM 736 C GLY A 51 15.227 8.352 -32.751 1.00 0.00 C ATOM 737 O GLY A 51 14.159 8.917 -32.997 1.00 0.00 O ATOM 0 H GLY A 51 17.350 6.704 -33.433 1.00 0.00 H new ATOM 0 HA2 GLY A 51 17.209 9.099 -33.040 1.00 0.00 H new ATOM 0 HA3 GLY A 51 16.174 9.244 -34.447 1.00 0.00 H new ATOM 741 N ARG A 52 15.401 7.529 -31.721 1.00 0.00 N ATOM 742 CA ARG A 52 14.376 7.297 -30.729 1.00 0.00 C ATOM 743 C ARG A 52 14.950 6.962 -29.375 1.00 0.00 C ATOM 744 O ARG A 52 16.121 6.620 -29.305 1.00 0.00 O ATOM 745 CB ARG A 52 13.523 6.146 -31.230 1.00 0.00 C ATOM 746 CG ARG A 52 12.199 6.579 -31.862 1.00 0.00 C ATOM 747 CD ARG A 52 11.415 7.543 -30.965 1.00 0.00 C ATOM 748 NE ARG A 52 11.436 8.900 -31.525 1.00 0.00 N ATOM 749 CZ ARG A 52 11.067 10.003 -30.925 1.00 0.00 C ATOM 750 NH1 ARG A 52 10.630 9.974 -29.708 1.00 0.00 N ATOM 751 NH2 ARG A 52 11.125 11.147 -31.525 1.00 0.00 N ATOM 0 H ARG A 52 16.262 7.007 -31.557 1.00 0.00 H new ATOM 0 HA ARG A 52 13.790 8.207 -30.597 1.00 0.00 H new ATOM 0 HB2 ARG A 52 14.094 5.577 -31.963 1.00 0.00 H new ATOM 0 HB3 ARG A 52 13.313 5.474 -30.398 1.00 0.00 H new ATOM 0 HG2 ARG A 52 12.396 7.058 -32.821 1.00 0.00 H new ATOM 0 HG3 ARG A 52 11.590 5.698 -32.064 1.00 0.00 H new ATOM 0 HD2 ARG A 52 10.385 7.200 -30.866 1.00 0.00 H new ATOM 0 HD3 ARG A 52 11.846 7.550 -29.964 1.00 0.00 H new ATOM 0 HE ARG A 52 11.774 8.993 -32.483 1.00 0.00 H new ATOM 0 HH11 ARG A 52 10.571 9.087 -29.208 1.00 0.00 H new ATOM 0 HH12 ARG A 52 10.345 10.838 -29.248 1.00 0.00 H new ATOM 0 HH21 ARG A 52 11.464 11.203 -32.486 1.00 0.00 H new ATOM 0 HH22 ARG A 52 10.832 11.994 -31.038 1.00 0.00 H new ATOM 765 N THR A 53 14.102 7.028 -28.346 1.00 0.00 N ATOM 766 CA THR A 53 14.528 6.798 -26.967 1.00 0.00 C ATOM 767 C THR A 53 13.420 6.099 -26.180 1.00 0.00 C ATOM 768 O THR A 53 12.451 6.760 -25.800 1.00 0.00 O ATOM 769 CB THR A 53 15.013 8.097 -26.336 1.00 0.00 C ATOM 770 OG1 THR A 53 16.167 8.481 -27.042 1.00 0.00 O ATOM 771 CG2 THR A 53 15.427 7.929 -24.879 1.00 0.00 C ATOM 0 H THR A 53 13.109 7.241 -28.445 1.00 0.00 H new ATOM 0 HA THR A 53 15.382 6.122 -26.949 1.00 0.00 H new ATOM 0 HB THR A 53 14.200 8.822 -26.378 1.00 0.00 H new ATOM 0 HG1 THR A 53 16.515 9.318 -26.670 1.00 0.00 H new ATOM 0 HG21 THR A 53 15.763 8.887 -24.483 1.00 0.00 H new ATOM 0 HG22 THR A 53 14.576 7.575 -24.297 1.00 0.00 H new ATOM 0 HG23 THR A 53 16.239 7.204 -24.813 1.00 0.00 H new ATOM 779 N PRO A 54 13.490 4.764 -26.043 1.00 0.00 N ATOM 780 CA PRO A 54 12.497 3.992 -25.312 1.00 0.00 C ATOM 781 C PRO A 54 12.630 4.219 -23.810 1.00 0.00 C ATOM 782 O PRO A 54 13.710 4.445 -23.257 1.00 0.00 O ATOM 783 CB PRO A 54 12.750 2.528 -25.663 1.00 0.00 C ATOM 784 CG PRO A 54 14.195 2.483 -26.207 1.00 0.00 C ATOM 785 CD PRO A 54 14.584 3.923 -26.508 1.00 0.00 C ATOM 0 HA PRO A 54 11.486 4.294 -25.585 1.00 0.00 H new ATOM 0 HB2 PRO A 54 12.639 1.889 -24.787 1.00 0.00 H new ATOM 0 HB3 PRO A 54 12.038 2.173 -26.408 1.00 0.00 H new ATOM 0 HG2 PRO A 54 14.872 2.042 -25.475 1.00 0.00 H new ATOM 0 HG3 PRO A 54 14.253 1.869 -27.106 1.00 0.00 H new ATOM 0 HD2 PRO A 54 15.514 4.185 -26.003 1.00 0.00 H new ATOM 0 HD3 PRO A 54 14.751 4.062 -27.576 1.00 0.00 H new ATOM 793 N ILE A 55 11.496 4.153 -23.125 1.00 0.00 N ATOM 794 CA ILE A 55 11.449 4.392 -21.689 1.00 0.00 C ATOM 795 C ILE A 55 12.156 3.232 -21.007 1.00 0.00 C ATOM 796 O ILE A 55 11.839 2.078 -21.251 1.00 0.00 O ATOM 797 CB ILE A 55 9.999 4.579 -21.232 1.00 0.00 C ATOM 798 CG1 ILE A 55 9.310 5.623 -22.133 1.00 0.00 C ATOM 799 CG2 ILE A 55 10.039 5.038 -19.775 1.00 0.00 C ATOM 800 CD1 ILE A 55 8.004 6.106 -21.557 1.00 0.00 C ATOM 0 H ILE A 55 10.592 3.935 -23.544 1.00 0.00 H new ATOM 0 HA ILE A 55 11.963 5.313 -21.416 1.00 0.00 H new ATOM 0 HB ILE A 55 9.430 3.653 -21.308 1.00 0.00 H new ATOM 0 HG12 ILE A 55 9.977 6.473 -22.276 1.00 0.00 H new ATOM 0 HG13 ILE A 55 9.132 5.189 -23.117 1.00 0.00 H new ATOM 0 HG21 ILE A 55 9.022 5.183 -19.411 1.00 0.00 H new ATOM 0 HG22 ILE A 55 10.537 4.281 -19.169 1.00 0.00 H new ATOM 0 HG23 ILE A 55 10.587 5.978 -19.704 1.00 0.00 H new ATOM 0 HD11 ILE A 55 7.559 6.840 -22.229 1.00 0.00 H new ATOM 0 HD12 ILE A 55 7.324 5.262 -21.439 1.00 0.00 H new ATOM 0 HD13 ILE A 55 8.183 6.566 -20.585 1.00 0.00 H new ATOM 812 N LYS A 56 13.207 3.503 -20.244 1.00 0.00 N ATOM 813 CA LYS A 56 13.908 2.451 -19.520 1.00 0.00 C ATOM 814 C LYS A 56 13.166 2.177 -18.221 1.00 0.00 C ATOM 815 O LYS A 56 12.872 3.089 -17.459 1.00 0.00 O ATOM 816 CB LYS A 56 15.357 2.901 -19.304 1.00 0.00 C ATOM 817 CG LYS A 56 16.087 2.016 -18.283 1.00 0.00 C ATOM 818 CD LYS A 56 16.344 0.602 -18.844 1.00 0.00 C ATOM 819 CE LYS A 56 17.849 0.353 -18.958 1.00 0.00 C ATOM 820 NZ LYS A 56 18.138 -1.102 -19.002 1.00 0.00 N ATOM 0 H LYS A 56 13.591 4.438 -20.111 1.00 0.00 H new ATOM 0 HA LYS A 56 13.934 1.515 -20.078 1.00 0.00 H new ATOM 0 HB2 LYS A 56 15.891 2.874 -20.254 1.00 0.00 H new ATOM 0 HB3 LYS A 56 15.368 3.936 -18.961 1.00 0.00 H new ATOM 0 HG2 LYS A 56 17.036 2.479 -18.011 1.00 0.00 H new ATOM 0 HG3 LYS A 56 15.494 1.945 -17.371 1.00 0.00 H new ATOM 0 HD2 LYS A 56 15.891 -0.145 -18.192 1.00 0.00 H new ATOM 0 HD3 LYS A 56 15.874 0.498 -19.822 1.00 0.00 H new ATOM 0 HE2 LYS A 56 18.235 0.833 -19.857 1.00 0.00 H new ATOM 0 HE3 LYS A 56 18.363 0.805 -18.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 19.165 -1.250 -19.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 17.788 -1.552 -18.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 17.664 -1.525 -19.825 1.00 0.00 H new ATOM 834 N PHE A 57 12.990 0.896 -17.923 1.00 0.00 N ATOM 835 CA PHE A 57 12.285 0.429 -16.734 1.00 0.00 C ATOM 836 C PHE A 57 13.224 -0.377 -15.863 1.00 0.00 C ATOM 837 O PHE A 57 13.374 -0.101 -14.683 1.00 0.00 O ATOM 838 CB PHE A 57 11.090 -0.404 -17.171 1.00 0.00 C ATOM 839 CG PHE A 57 10.307 0.173 -18.334 1.00 0.00 C ATOM 840 CD1 PHE A 57 9.234 1.038 -18.084 1.00 0.00 C ATOM 841 CD2 PHE A 57 10.580 -0.218 -19.660 1.00 0.00 C ATOM 842 CE1 PHE A 57 8.450 1.549 -19.143 1.00 0.00 C ATOM 843 CE2 PHE A 57 9.787 0.283 -20.712 1.00 0.00 C ATOM 844 CZ PHE A 57 8.746 1.193 -20.461 1.00 0.00 C ATOM 0 H PHE A 57 13.339 0.139 -18.510 1.00 0.00 H new ATOM 0 HA PHE A 57 11.931 1.276 -16.147 1.00 0.00 H new ATOM 0 HB2 PHE A 57 11.439 -1.400 -17.444 1.00 0.00 H new ATOM 0 HB3 PHE A 57 10.418 -0.524 -16.322 1.00 0.00 H new ATOM 0 HD1 PHE A 57 9.002 1.319 -17.067 1.00 0.00 H new ATOM 0 HD2 PHE A 57 11.393 -0.898 -19.869 1.00 0.00 H new ATOM 0 HE1 PHE A 57 7.624 2.213 -18.934 1.00 0.00 H new ATOM 0 HE2 PHE A 57 9.982 -0.037 -21.725 1.00 0.00 H new ATOM 0 HZ PHE A 57 8.180 1.613 -21.279 1.00 0.00 H new ATOM 854 N GLY A 58 13.885 -1.360 -16.474 1.00 0.00 N ATOM 855 CA GLY A 58 14.752 -2.298 -15.776 1.00 0.00 C ATOM 856 C GLY A 58 14.333 -3.747 -15.972 1.00 0.00 C ATOM 857 O GLY A 58 15.037 -4.640 -15.524 1.00 0.00 O ATOM 0 H GLY A 58 13.830 -1.526 -17.479 1.00 0.00 H new ATOM 0 HA2 GLY A 58 15.776 -2.170 -16.128 1.00 0.00 H new ATOM 0 HA3 GLY A 58 14.749 -2.065 -14.711 1.00 0.00 H new ATOM 861 N LYS A 59 13.213 -3.997 -16.651 1.00 0.00 N ATOM 862 CA LYS A 59 12.759 -5.342 -16.977 1.00 0.00 C ATOM 863 C LYS A 59 13.183 -5.719 -18.367 1.00 0.00 C ATOM 864 O LYS A 59 13.046 -4.899 -19.263 1.00 0.00 O ATOM 865 CB LYS A 59 11.244 -5.407 -16.766 1.00 0.00 C ATOM 866 CG LYS A 59 10.954 -5.575 -15.255 1.00 0.00 C ATOM 867 CD LYS A 59 9.929 -6.680 -15.018 1.00 0.00 C ATOM 868 CE LYS A 59 10.598 -8.038 -14.773 1.00 0.00 C ATOM 869 NZ LYS A 59 9.593 -9.121 -14.739 1.00 0.00 N ATOM 0 H LYS A 59 12.593 -3.263 -16.992 1.00 0.00 H new ATOM 0 HA LYS A 59 13.221 -6.077 -16.318 1.00 0.00 H new ATOM 0 HB2 LYS A 59 10.772 -4.499 -17.142 1.00 0.00 H new ATOM 0 HB3 LYS A 59 10.821 -6.241 -17.326 1.00 0.00 H new ATOM 0 HG2 LYS A 59 11.878 -5.811 -14.727 1.00 0.00 H new ATOM 0 HG3 LYS A 59 10.584 -4.636 -14.845 1.00 0.00 H new ATOM 0 HD2 LYS A 59 9.308 -6.421 -14.160 1.00 0.00 H new ATOM 0 HD3 LYS A 59 9.267 -6.752 -15.881 1.00 0.00 H new ATOM 0 HE2 LYS A 59 11.326 -8.237 -15.559 1.00 0.00 H new ATOM 0 HE3 LYS A 59 11.145 -8.014 -13.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 9.997 -9.954 -14.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 8.753 -8.799 -14.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 9.321 -9.373 -15.711 1.00 0.00 H new ATOM 883 N SER A 60 13.623 -6.965 -18.538 1.00 0.00 N ATOM 884 CA SER A 60 13.967 -7.498 -19.858 1.00 0.00 C ATOM 885 C SER A 60 12.721 -7.813 -20.691 1.00 0.00 C ATOM 886 O SER A 60 12.826 -8.305 -21.805 1.00 0.00 O ATOM 887 CB SER A 60 14.823 -8.756 -19.686 1.00 0.00 C ATOM 888 OG SER A 60 15.354 -9.262 -20.888 1.00 0.00 O ATOM 0 H SER A 60 13.751 -7.629 -17.774 1.00 0.00 H new ATOM 0 HA SER A 60 14.529 -6.736 -20.398 1.00 0.00 H new ATOM 0 HB2 SER A 60 15.644 -8.533 -19.005 1.00 0.00 H new ATOM 0 HB3 SER A 60 14.219 -9.531 -19.214 1.00 0.00 H new ATOM 0 HG SER A 60 14.664 -9.244 -21.584 1.00 0.00 H new ATOM 894 N ASP A 61 11.522 -7.614 -20.143 1.00 0.00 N ATOM 895 CA ASP A 61 10.259 -7.867 -20.814 1.00 0.00 C ATOM 896 C ASP A 61 9.857 -6.622 -21.579 1.00 0.00 C ATOM 897 O ASP A 61 9.611 -6.704 -22.776 1.00 0.00 O ATOM 898 CB ASP A 61 9.150 -8.196 -19.805 1.00 0.00 C ATOM 899 CG ASP A 61 9.580 -9.168 -18.703 1.00 0.00 C ATOM 900 OD1 ASP A 61 9.706 -10.370 -18.996 1.00 0.00 O ATOM 901 OD2 ASP A 61 9.818 -8.714 -17.554 1.00 0.00 O ATOM 0 H ASP A 61 11.406 -7.262 -19.193 1.00 0.00 H new ATOM 0 HA ASP A 61 10.388 -8.718 -21.483 1.00 0.00 H new ATOM 0 HB2 ASP A 61 8.805 -7.270 -19.345 1.00 0.00 H new ATOM 0 HB3 ASP A 61 8.301 -8.621 -20.340 1.00 0.00 H new ATOM 906 N CYS A 62 9.800 -5.481 -20.878 1.00 0.00 N ATOM 907 CA CYS A 62 9.405 -4.225 -21.486 1.00 0.00 C ATOM 908 C CYS A 62 10.552 -3.690 -22.335 1.00 0.00 C ATOM 909 O CYS A 62 10.298 -3.036 -23.337 1.00 0.00 O ATOM 910 CB CYS A 62 9.049 -3.184 -20.410 1.00 0.00 C ATOM 911 SG CYS A 62 8.257 -3.831 -18.924 1.00 0.00 S ATOM 0 H CYS A 62 10.026 -5.413 -19.886 1.00 0.00 H new ATOM 0 HA CYS A 62 8.527 -4.404 -22.107 1.00 0.00 H new ATOM 0 HB2 CYS A 62 9.962 -2.666 -20.116 1.00 0.00 H new ATOM 0 HB3 CYS A 62 8.389 -2.439 -20.856 1.00 0.00 H new ATOM 916 N ASP A 63 11.800 -3.962 -21.915 1.00 0.00 N ATOM 917 CA ASP A 63 12.988 -3.636 -22.715 1.00 0.00 C ATOM 918 C ASP A 63 12.984 -4.410 -24.034 1.00 0.00 C ATOM 919 O ASP A 63 13.334 -3.905 -25.098 1.00 0.00 O ATOM 920 CB ASP A 63 14.255 -3.998 -21.921 1.00 0.00 C ATOM 921 CG ASP A 63 15.596 -3.742 -22.643 1.00 0.00 C ATOM 922 OD1 ASP A 63 15.656 -3.006 -23.651 1.00 0.00 O ATOM 923 OD2 ASP A 63 16.612 -4.168 -22.054 1.00 0.00 O ATOM 0 H ASP A 63 12.010 -4.409 -21.022 1.00 0.00 H new ATOM 0 HA ASP A 63 12.975 -2.568 -22.935 1.00 0.00 H new ATOM 0 HB2 ASP A 63 14.252 -3.432 -20.990 1.00 0.00 H new ATOM 0 HB3 ASP A 63 14.204 -5.053 -21.653 1.00 0.00 H new ATOM 928 N ARG A 64 12.558 -5.671 -23.981 1.00 0.00 N ATOM 929 CA ARG A 64 12.502 -6.454 -25.193 1.00 0.00 C ATOM 930 C ARG A 64 11.698 -5.763 -26.307 1.00 0.00 C ATOM 931 O ARG A 64 10.723 -5.049 -26.069 1.00 0.00 O ATOM 932 CB ARG A 64 11.958 -7.836 -24.864 1.00 0.00 C ATOM 933 CG ARG A 64 10.616 -8.207 -25.502 1.00 0.00 C ATOM 934 CD ARG A 64 10.064 -9.558 -25.102 1.00 0.00 C ATOM 935 NE ARG A 64 11.038 -10.471 -24.514 1.00 0.00 N ATOM 936 CZ ARG A 64 11.984 -11.121 -25.156 1.00 0.00 C ATOM 937 NH1 ARG A 64 12.076 -11.107 -26.452 1.00 0.00 N ATOM 938 NH2 ARG A 64 12.887 -11.761 -24.498 1.00 0.00 N ATOM 0 H ARG A 64 12.257 -6.153 -23.134 1.00 0.00 H new ATOM 0 HA ARG A 64 13.512 -6.554 -25.590 1.00 0.00 H new ATOM 0 HB2 ARG A 64 12.698 -8.576 -25.169 1.00 0.00 H new ATOM 0 HB3 ARG A 64 11.856 -7.915 -23.782 1.00 0.00 H new ATOM 0 HG2 ARG A 64 9.884 -7.442 -25.242 1.00 0.00 H new ATOM 0 HG3 ARG A 64 10.729 -8.185 -26.586 1.00 0.00 H new ATOM 0 HD2 ARG A 64 9.254 -9.406 -24.389 1.00 0.00 H new ATOM 0 HD3 ARG A 64 9.629 -10.032 -25.982 1.00 0.00 H new ATOM 0 HE ARG A 64 10.980 -10.620 -23.507 1.00 0.00 H new ATOM 0 HH11 ARG A 64 11.401 -10.580 -27.006 1.00 0.00 H new ATOM 0 HH12 ARG A 64 12.823 -11.623 -26.916 1.00 0.00 H new ATOM 0 HH21 ARG A 64 12.869 -11.764 -23.478 1.00 0.00 H new ATOM 0 HH22 ARG A 64 13.620 -12.265 -24.997 1.00 0.00 H new ATOM 952 N PRO A 65 11.940 -6.199 -27.549 1.00 0.00 N ATOM 953 CA PRO A 65 11.131 -5.747 -28.648 1.00 0.00 C ATOM 954 C PRO A 65 9.682 -6.291 -28.651 1.00 0.00 C ATOM 955 O PRO A 65 9.468 -7.491 -28.453 1.00 0.00 O ATOM 956 CB PRO A 65 11.899 -6.124 -29.901 1.00 0.00 C ATOM 957 CG PRO A 65 12.867 -7.239 -29.471 1.00 0.00 C ATOM 958 CD PRO A 65 12.878 -7.227 -27.950 1.00 0.00 C ATOM 0 HA PRO A 65 10.975 -4.671 -28.573 1.00 0.00 H new ATOM 0 HB2 PRO A 65 11.225 -6.470 -30.685 1.00 0.00 H new ATOM 0 HB3 PRO A 65 12.441 -5.267 -30.302 1.00 0.00 H new ATOM 0 HG2 PRO A 65 12.539 -8.207 -29.850 1.00 0.00 H new ATOM 0 HG3 PRO A 65 13.866 -7.062 -29.869 1.00 0.00 H new ATOM 0 HD2 PRO A 65 12.586 -8.198 -27.551 1.00 0.00 H new ATOM 0 HD3 PRO A 65 13.877 -7.013 -27.569 1.00 0.00 H new ATOM 966 N PRO A 66 8.663 -5.447 -28.877 1.00 0.00 N ATOM 967 CA PRO A 66 7.285 -5.852 -28.971 1.00 0.00 C ATOM 968 C PRO A 66 7.027 -6.639 -30.250 1.00 0.00 C ATOM 969 O PRO A 66 7.851 -6.753 -31.144 1.00 0.00 O ATOM 970 CB PRO A 66 6.477 -4.555 -28.913 1.00 0.00 C ATOM 971 CG PRO A 66 7.427 -3.409 -29.274 1.00 0.00 C ATOM 972 CD PRO A 66 8.800 -4.050 -29.189 1.00 0.00 C ATOM 0 HA PRO A 66 7.000 -6.525 -28.163 1.00 0.00 H new ATOM 0 HB2 PRO A 66 5.639 -4.593 -29.609 1.00 0.00 H new ATOM 0 HB3 PRO A 66 6.058 -4.408 -27.918 1.00 0.00 H new ATOM 0 HG2 PRO A 66 7.226 -3.020 -30.272 1.00 0.00 H new ATOM 0 HG3 PRO A 66 7.330 -2.573 -28.581 1.00 0.00 H new ATOM 0 HD2 PRO A 66 9.328 -3.929 -30.135 1.00 0.00 H new ATOM 0 HD3 PRO A 66 9.397 -3.553 -28.424 1.00 0.00 H new ATOM 980 N LYS A 67 5.849 -7.244 -30.308 1.00 0.00 N ATOM 981 CA LYS A 67 5.434 -7.999 -31.490 1.00 0.00 C ATOM 982 C LYS A 67 4.073 -7.511 -31.927 1.00 0.00 C ATOM 983 O LYS A 67 3.150 -8.276 -31.943 1.00 0.00 O ATOM 984 CB LYS A 67 5.569 -9.506 -31.198 1.00 0.00 C ATOM 985 CG LYS A 67 5.045 -10.390 -32.359 1.00 0.00 C ATOM 986 CD LYS A 67 6.169 -11.099 -33.083 1.00 0.00 C ATOM 987 CE LYS A 67 5.656 -11.633 -34.425 1.00 0.00 C ATOM 988 NZ LYS A 67 6.650 -11.373 -35.490 1.00 0.00 N ATOM 0 H LYS A 67 5.162 -7.229 -29.554 1.00 0.00 H new ATOM 0 HA LYS A 67 6.079 -7.830 -32.352 1.00 0.00 H new ATOM 0 HB2 LYS A 67 6.616 -9.743 -31.010 1.00 0.00 H new ATOM 0 HB3 LYS A 67 5.020 -9.746 -30.288 1.00 0.00 H new ATOM 0 HG2 LYS A 67 4.345 -11.127 -31.966 1.00 0.00 H new ATOM 0 HG3 LYS A 67 4.492 -9.771 -33.065 1.00 0.00 H new ATOM 0 HD2 LYS A 67 7.000 -10.413 -33.246 1.00 0.00 H new ATOM 0 HD3 LYS A 67 6.548 -11.920 -32.474 1.00 0.00 H new ATOM 0 HE2 LYS A 67 5.464 -12.703 -34.350 1.00 0.00 H new ATOM 0 HE3 LYS A 67 4.709 -11.156 -34.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 6.191 -11.450 -36.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 7.040 -10.416 -35.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 7.419 -12.070 -35.425 1.00 0.00 H new ATOM 1002 N HIS A 68 3.862 -6.219 -32.112 1.00 0.00 N ATOM 1003 CA HIS A 68 2.534 -5.776 -32.573 1.00 0.00 C ATOM 1004 C HIS A 68 2.346 -6.068 -34.065 1.00 0.00 C ATOM 1005 O HIS A 68 3.296 -6.288 -34.801 1.00 0.00 O ATOM 1006 CB HIS A 68 2.421 -4.295 -32.218 1.00 0.00 C ATOM 1007 CG HIS A 68 1.112 -3.650 -32.588 1.00 0.00 C ATOM 1008 ND1 HIS A 68 0.865 -3.025 -33.790 1.00 0.00 N ATOM 1009 CD2 HIS A 68 -0.027 -3.583 -31.832 1.00 0.00 C ATOM 1010 CE1 HIS A 68 -0.413 -2.577 -33.746 1.00 0.00 C ATOM 1011 NE2 HIS A 68 -0.994 -2.906 -32.569 1.00 0.00 N ATOM 0 H HIS A 68 4.549 -5.480 -31.962 1.00 0.00 H new ATOM 0 HA HIS A 68 1.729 -6.323 -32.083 1.00 0.00 H new ATOM 0 HB2 HIS A 68 2.574 -4.181 -31.145 1.00 0.00 H new ATOM 0 HB3 HIS A 68 3.228 -3.755 -32.714 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -0.153 -3.985 -30.838 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -0.901 -2.032 -34.541 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -1.950 -2.699 -32.280 1.00 0.00 H new ATOM 1020 N SER A 69 1.118 -5.930 -34.555 1.00 0.00 N ATOM 1021 CA SER A 69 0.799 -6.054 -35.976 1.00 0.00 C ATOM 1022 C SER A 69 -0.547 -5.424 -36.312 1.00 0.00 C ATOM 1023 O SER A 69 -1.009 -4.541 -35.605 1.00 0.00 O ATOM 1024 CB SER A 69 0.827 -7.540 -36.319 1.00 0.00 C ATOM 1025 OG SER A 69 -0.364 -8.180 -35.916 1.00 0.00 O ATOM 0 H SER A 69 0.306 -5.727 -33.971 1.00 0.00 H new ATOM 0 HA SER A 69 1.533 -5.514 -36.574 1.00 0.00 H new ATOM 0 HB2 SER A 69 0.965 -7.665 -37.393 1.00 0.00 H new ATOM 0 HB3 SER A 69 1.680 -8.012 -35.831 1.00 0.00 H new ATOM 0 HG SER A 69 -0.320 -9.131 -36.150 1.00 0.00 H new ATOM 1031 N LYS A 70 -1.192 -5.830 -37.391 1.00 0.00 N ATOM 1032 CA LYS A 70 -2.555 -5.404 -37.702 1.00 0.00 C ATOM 1033 C LYS A 70 -3.610 -6.214 -36.957 1.00 0.00 C ATOM 1034 O LYS A 70 -4.316 -6.992 -37.568 1.00 0.00 O ATOM 1035 CB LYS A 70 -2.680 -5.475 -39.224 1.00 0.00 C ATOM 1036 CG LYS A 70 -2.785 -4.057 -39.787 1.00 0.00 C ATOM 1037 CD LYS A 70 -2.018 -3.949 -41.108 1.00 0.00 C ATOM 1038 CE LYS A 70 -2.818 -3.129 -42.123 1.00 0.00 C ATOM 1039 NZ LYS A 70 -3.192 -3.970 -43.286 1.00 0.00 N ATOM 0 H LYS A 70 -0.790 -6.465 -38.080 1.00 0.00 H new ATOM 0 HA LYS A 70 -2.741 -4.387 -37.358 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -1.815 -5.984 -39.648 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -3.560 -6.055 -39.502 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -3.832 -3.798 -39.945 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -2.385 -3.343 -39.067 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -1.049 -3.481 -40.936 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -1.825 -4.945 -41.507 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -3.716 -2.730 -41.651 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -2.227 -2.276 -42.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -3.734 -3.400 -43.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -2.331 -4.330 -43.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -3.773 -4.770 -42.963 1.00 0.00 H new ATOM 1053 N ASP A 71 -3.707 -6.008 -35.651 1.00 0.00 N ATOM 1054 CA ASP A 71 -4.709 -6.671 -34.804 1.00 0.00 C ATOM 1055 C ASP A 71 -4.609 -6.142 -33.382 1.00 0.00 C ATOM 1056 O ASP A 71 -5.603 -5.919 -32.704 1.00 0.00 O ATOM 1057 CB ASP A 71 -4.430 -8.191 -34.776 1.00 0.00 C ATOM 1058 CG ASP A 71 -5.543 -8.996 -35.454 1.00 0.00 C ATOM 1059 OD1 ASP A 71 -6.697 -8.876 -34.986 1.00 0.00 O ATOM 1060 OD2 ASP A 71 -5.222 -9.750 -36.400 1.00 0.00 O ATOM 0 H ASP A 71 -3.093 -5.374 -35.139 1.00 0.00 H new ATOM 0 HA ASP A 71 -5.702 -6.474 -35.208 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -3.482 -8.394 -35.274 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -4.324 -8.520 -33.742 1.00 0.00 H new ATOM 1065 N GLY A 72 -3.369 -5.957 -32.927 1.00 0.00 N ATOM 1066 CA GLY A 72 -3.088 -5.550 -31.577 1.00 0.00 C ATOM 1067 C GLY A 72 -2.491 -6.663 -30.775 1.00 0.00 C ATOM 1068 O GLY A 72 -1.382 -6.508 -30.310 1.00 0.00 O ATOM 0 H GLY A 72 -2.536 -6.090 -33.500 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -2.403 -4.702 -31.588 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -4.008 -5.211 -31.100 1.00 0.00 H new ATOM 1072 N ASN A 73 -3.179 -7.783 -30.664 1.00 0.00 N ATOM 1073 CA ASN A 73 -2.822 -8.909 -29.822 1.00 0.00 C ATOM 1074 C ASN A 73 -3.022 -10.132 -30.678 1.00 0.00 C ATOM 1075 O ASN A 73 -3.976 -10.860 -30.476 1.00 0.00 O ATOM 1076 CB ASN A 73 -3.733 -8.994 -28.579 1.00 0.00 C ATOM 1077 CG ASN A 73 -5.198 -8.633 -28.818 1.00 0.00 C ATOM 1078 OD1 ASN A 73 -5.453 -7.376 -29.079 1.00 0.00 O flip ATOM 1079 ND2 ASN A 73 -6.113 -9.430 -28.822 1.00 0.00 N flip ATOM 0 H ASN A 73 -4.043 -7.940 -31.183 1.00 0.00 H new ATOM 0 HA ASN A 73 -1.799 -8.813 -29.459 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -3.686 -10.008 -28.183 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -3.334 -8.333 -27.810 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -5.933 -10.414 -28.621 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -7.062 -9.116 -29.027 1.00 0.00 H new ATOM 1086 N GLY A 74 -2.195 -10.293 -31.703 1.00 0.00 N ATOM 1087 CA GLY A 74 -2.239 -11.451 -32.589 1.00 0.00 C ATOM 1088 C GLY A 74 -1.998 -12.772 -31.858 1.00 0.00 C ATOM 1089 O GLY A 74 -2.764 -13.199 -31.008 1.00 0.00 O ATOM 0 H GLY A 74 -1.469 -9.619 -31.945 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -3.210 -11.487 -33.083 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -1.488 -11.332 -33.370 1.00 0.00 H new ATOM 1093 N LYS A 75 -0.951 -13.508 -32.220 1.00 0.00 N ATOM 1094 CA LYS A 75 -0.631 -14.754 -31.510 1.00 0.00 C ATOM 1095 C LYS A 75 -0.259 -14.504 -30.038 1.00 0.00 C ATOM 1096 O LYS A 75 -1.070 -14.415 -29.130 1.00 0.00 O ATOM 1097 CB LYS A 75 0.463 -15.478 -32.313 1.00 0.00 C ATOM 1098 CG LYS A 75 -0.157 -16.361 -33.403 1.00 0.00 C ATOM 1099 CD LYS A 75 0.541 -17.727 -33.409 1.00 0.00 C ATOM 1100 CE LYS A 75 -0.062 -18.614 -34.499 1.00 0.00 C ATOM 1101 NZ LYS A 75 0.908 -19.653 -34.918 1.00 0.00 N ATOM 0 H LYS A 75 -0.318 -13.274 -32.985 1.00 0.00 H new ATOM 0 HA LYS A 75 -1.508 -15.398 -31.452 1.00 0.00 H new ATOM 0 HB2 LYS A 75 1.131 -14.747 -32.767 1.00 0.00 H new ATOM 0 HB3 LYS A 75 1.068 -16.090 -31.643 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -1.224 -16.486 -33.222 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -0.053 -15.883 -34.377 1.00 0.00 H new ATOM 0 HD2 LYS A 75 1.609 -17.599 -33.582 1.00 0.00 H new ATOM 0 HD3 LYS A 75 0.431 -18.206 -32.436 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -0.973 -19.086 -34.130 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -0.344 -18.004 -35.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 0.483 -20.247 -35.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 1.766 -19.197 -35.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 1.157 -20.245 -34.100 1.00 0.00 H new ATOM 1115 N THR A 76 1.028 -14.482 -29.761 1.00 0.00 N ATOM 1116 CA THR A 76 1.521 -14.222 -28.414 1.00 0.00 C ATOM 1117 C THR A 76 2.091 -12.825 -28.318 1.00 0.00 C ATOM 1118 O THR A 76 2.833 -12.550 -27.385 1.00 0.00 O ATOM 1119 CB THR A 76 2.494 -15.330 -27.994 1.00 0.00 C ATOM 1120 OG1 THR A 76 2.222 -15.747 -26.677 1.00 0.00 O ATOM 1121 CG2 THR A 76 3.985 -14.976 -28.075 1.00 0.00 C ATOM 0 H THR A 76 1.761 -14.642 -30.453 1.00 0.00 H new ATOM 0 HA THR A 76 0.699 -14.250 -27.698 1.00 0.00 H new ATOM 0 HB THR A 76 2.321 -16.120 -28.725 1.00 0.00 H new ATOM 0 HG1 THR A 76 2.849 -16.456 -26.422 1.00 0.00 H new ATOM 0 HG21 THR A 76 4.580 -15.832 -27.755 1.00 0.00 H new ATOM 0 HG22 THR A 76 4.243 -14.718 -29.102 1.00 0.00 H new ATOM 0 HG23 THR A 76 4.193 -14.126 -27.425 1.00 0.00 H new ATOM 1129 N ASP A 77 1.846 -11.978 -29.319 1.00 0.00 N ATOM 1130 CA ASP A 77 2.360 -10.631 -29.445 1.00 0.00 C ATOM 1131 C ASP A 77 2.586 -10.032 -28.097 1.00 0.00 C ATOM 1132 O ASP A 77 1.629 -9.792 -27.413 1.00 0.00 O ATOM 1133 CB ASP A 77 1.363 -9.727 -30.159 1.00 0.00 C ATOM 1134 CG ASP A 77 1.103 -10.138 -31.612 1.00 0.00 C ATOM 1135 OD1 ASP A 77 1.569 -11.233 -32.031 1.00 0.00 O ATOM 1136 OD2 ASP A 77 0.362 -9.375 -32.266 1.00 0.00 O ATOM 0 H ASP A 77 1.248 -12.238 -30.104 1.00 0.00 H new ATOM 0 HA ASP A 77 3.289 -10.700 -30.010 1.00 0.00 H new ATOM 0 HB2 ASP A 77 0.420 -9.735 -29.612 1.00 0.00 H new ATOM 0 HB3 ASP A 77 1.734 -8.702 -30.140 1.00 0.00 H new ATOM 1141 N HIS A 78 3.818 -9.894 -27.628 1.00 0.00 N ATOM 1142 CA HIS A 78 4.123 -9.407 -26.276 1.00 0.00 C ATOM 1143 C HIS A 78 4.176 -7.885 -26.268 1.00 0.00 C ATOM 1144 O HIS A 78 4.758 -7.290 -25.372 1.00 0.00 O ATOM 1145 CB HIS A 78 5.429 -10.039 -25.767 1.00 0.00 C ATOM 1146 CG HIS A 78 6.463 -10.273 -26.834 1.00 0.00 C ATOM 1147 ND1 HIS A 78 6.420 -11.221 -27.828 1.00 0.00 N flip ATOM 1148 CD2 HIS A 78 7.602 -9.517 -26.981 1.00 0.00 C flip ATOM 1149 CE1 HIS A 78 7.583 -11.075 -28.568 1.00 0.00 C flip ATOM 1150 NE2 HIS A 78 8.279 -10.052 -28.023 1.00 0.00 N flip ATOM 0 H HIS A 78 4.648 -10.118 -28.176 1.00 0.00 H new ATOM 0 HA HIS A 78 3.330 -9.708 -25.591 1.00 0.00 H new ATOM 0 HB2 HIS A 78 5.856 -9.393 -25.000 1.00 0.00 H new ATOM 0 HB3 HIS A 78 5.196 -10.991 -25.289 1.00 0.00 H new ATOM 0 HD2 HIS A 78 7.897 -8.667 -26.384 1.00 0.00 H new ATOM 0 HE1 HIS A 78 7.878 -11.668 -29.421 1.00 0.00 H new ATOM 0 HE2 HIS A 78 9.189 -9.728 -28.352 1.00 0.00 H new ATOM 1159 N TYR A 79 3.671 -7.278 -27.340 1.00 0.00 N ATOM 1160 CA TYR A 79 3.433 -5.866 -27.479 1.00 0.00 C ATOM 1161 C TYR A 79 3.049 -5.194 -26.158 1.00 0.00 C ATOM 1162 O TYR A 79 2.286 -5.717 -25.351 1.00 0.00 O ATOM 1163 CB TYR A 79 2.402 -5.638 -28.574 1.00 0.00 C ATOM 1164 CG TYR A 79 0.976 -5.846 -28.132 1.00 0.00 C ATOM 1165 CD1 TYR A 79 0.575 -7.011 -27.461 1.00 0.00 C ATOM 1166 CD2 TYR A 79 0.026 -4.847 -28.321 1.00 0.00 C ATOM 1167 CE1 TYR A 79 -0.729 -7.256 -27.047 1.00 0.00 C ATOM 1168 CE2 TYR A 79 -1.289 -5.107 -27.931 1.00 0.00 C ATOM 1169 CZ TYR A 79 -1.695 -6.302 -27.318 1.00 0.00 C ATOM 1170 OH TYR A 79 -2.921 -6.414 -26.775 1.00 0.00 O ATOM 0 H TYR A 79 3.406 -7.799 -28.176 1.00 0.00 H new ATOM 0 HA TYR A 79 4.367 -5.386 -27.772 1.00 0.00 H new ATOM 0 HB2 TYR A 79 2.509 -4.621 -28.952 1.00 0.00 H new ATOM 0 HB3 TYR A 79 2.615 -6.311 -29.404 1.00 0.00 H new ATOM 0 HD1 TYR A 79 1.324 -7.762 -27.254 1.00 0.00 H new ATOM 0 HD2 TYR A 79 0.298 -3.897 -28.757 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -0.982 -8.168 -26.527 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -2.035 -4.347 -28.111 1.00 0.00 H new ATOM 0 HH TYR A 79 -2.848 -6.407 -25.798 1.00 0.00 H new ATOM 1180 N LEU A 80 3.691 -4.079 -25.863 1.00 0.00 N ATOM 1181 CA LEU A 80 3.349 -3.368 -24.643 1.00 0.00 C ATOM 1182 C LEU A 80 2.039 -2.643 -24.845 1.00 0.00 C ATOM 1183 O LEU A 80 1.731 -2.320 -25.982 1.00 0.00 O ATOM 1184 CB LEU A 80 4.509 -2.418 -24.356 1.00 0.00 C ATOM 1185 CG LEU A 80 5.345 -2.956 -23.196 1.00 0.00 C ATOM 1186 CD1 LEU A 80 6.817 -2.827 -23.521 1.00 0.00 C ATOM 1187 CD2 LEU A 80 5.064 -2.187 -21.929 1.00 0.00 C ATOM 0 H LEU A 80 4.427 -3.656 -26.428 1.00 0.00 H new ATOM 0 HA LEU A 80 3.210 -4.033 -23.791 1.00 0.00 H new ATOM 0 HB2 LEU A 80 5.131 -2.310 -25.245 1.00 0.00 H new ATOM 0 HB3 LEU A 80 4.127 -1.427 -24.112 1.00 0.00 H new ATOM 0 HG LEU A 80 5.080 -4.003 -23.048 1.00 0.00 H new ATOM 0 HD11 LEU A 80 7.408 -3.212 -22.690 1.00 0.00 H new ATOM 0 HD12 LEU A 80 7.042 -3.398 -24.422 1.00 0.00 H new ATOM 0 HD13 LEU A 80 7.063 -1.778 -23.685 1.00 0.00 H new ATOM 0 HD21 LEU A 80 5.671 -2.589 -21.118 1.00 0.00 H new ATOM 0 HD22 LEU A 80 5.309 -1.136 -22.080 1.00 0.00 H new ATOM 0 HD23 LEU A 80 4.009 -2.280 -21.673 1.00 0.00 H new ATOM 1199 N LEU A 81 1.298 -2.350 -23.783 1.00 0.00 N ATOM 1200 CA LEU A 81 0.053 -1.595 -23.865 1.00 0.00 C ATOM 1201 C LEU A 81 -0.049 -0.669 -22.679 1.00 0.00 C ATOM 1202 O LEU A 81 0.220 -1.069 -21.550 1.00 0.00 O ATOM 1203 CB LEU A 81 -1.137 -2.552 -23.874 1.00 0.00 C ATOM 1204 CG LEU A 81 -1.187 -3.447 -25.115 1.00 0.00 C ATOM 1205 CD1 LEU A 81 -0.873 -4.897 -24.736 1.00 0.00 C ATOM 1206 CD2 LEU A 81 -2.530 -3.246 -25.818 1.00 0.00 C ATOM 0 H LEU A 81 1.546 -2.631 -22.834 1.00 0.00 H new ATOM 0 HA LEU A 81 0.045 -1.011 -24.786 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -1.096 -3.180 -22.984 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -2.059 -1.974 -23.814 1.00 0.00 H new ATOM 0 HG LEU A 81 -0.417 -3.169 -25.835 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -0.912 -5.523 -25.628 1.00 0.00 H new ATOM 0 HD12 LEU A 81 0.124 -4.951 -24.298 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -1.607 -5.251 -24.012 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -2.575 -3.880 -26.704 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -3.340 -3.513 -25.139 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -2.634 -2.202 -26.113 1.00 0.00 H new ATOM 1218 N GLU A 82 -0.422 0.573 -22.935 1.00 0.00 N ATOM 1219 CA GLU A 82 -0.574 1.563 -21.898 1.00 0.00 C ATOM 1220 C GLU A 82 -2.044 1.786 -21.576 1.00 0.00 C ATOM 1221 O GLU A 82 -2.940 1.709 -22.432 1.00 0.00 O ATOM 1222 CB GLU A 82 0.131 2.860 -22.307 1.00 0.00 C ATOM 1223 CG GLU A 82 -0.505 3.687 -23.377 1.00 0.00 C ATOM 1224 CD GLU A 82 0.137 3.394 -24.709 1.00 0.00 C ATOM 1225 OE1 GLU A 82 -0.198 2.292 -25.176 1.00 0.00 O ATOM 1226 OE2 GLU A 82 0.655 4.366 -25.295 1.00 0.00 O ATOM 0 H GLU A 82 -0.627 0.918 -23.873 1.00 0.00 H new ATOM 0 HA GLU A 82 -0.102 1.201 -20.985 1.00 0.00 H new ATOM 0 HB2 GLU A 82 0.232 3.482 -21.418 1.00 0.00 H new ATOM 0 HB3 GLU A 82 1.139 2.605 -22.634 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -1.573 3.475 -23.425 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -0.401 4.746 -23.139 1.00 0.00 H new ATOM 1233 N PHE A 83 -2.297 2.234 -20.352 1.00 0.00 N ATOM 1234 CA PHE A 83 -3.679 2.474 -19.940 1.00 0.00 C ATOM 1235 C PHE A 83 -3.829 3.710 -19.070 1.00 0.00 C ATOM 1236 O PHE A 83 -2.971 3.936 -18.235 1.00 0.00 O ATOM 1237 CB PHE A 83 -4.181 1.286 -19.149 1.00 0.00 C ATOM 1238 CG PHE A 83 -5.653 1.242 -18.918 1.00 0.00 C ATOM 1239 CD1 PHE A 83 -6.480 1.017 -20.024 1.00 0.00 C ATOM 1240 CD2 PHE A 83 -6.189 1.425 -17.623 1.00 0.00 C ATOM 1241 CE1 PHE A 83 -7.867 1.023 -19.884 1.00 0.00 C ATOM 1242 CE2 PHE A 83 -7.581 1.331 -17.473 1.00 0.00 C ATOM 1243 CZ PHE A 83 -8.386 1.175 -18.601 1.00 0.00 C ATOM 0 H PHE A 83 -1.590 2.434 -19.645 1.00 0.00 H new ATOM 0 HA PHE A 83 -4.256 2.626 -20.852 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -3.885 0.375 -19.669 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -3.679 1.278 -18.182 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -6.040 0.837 -20.994 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -5.549 1.630 -16.778 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -8.516 0.914 -20.740 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -8.026 1.379 -16.490 1.00 0.00 H new ATOM 0 HZ PHE A 83 -9.458 1.172 -18.474 1.00 0.00 H new ATOM 1253 N PRO A 84 -4.857 4.550 -19.236 1.00 0.00 N ATOM 1254 CA PRO A 84 -5.004 5.816 -18.551 1.00 0.00 C ATOM 1255 C PRO A 84 -5.341 5.568 -17.126 1.00 0.00 C ATOM 1256 O PRO A 84 -6.504 5.500 -16.831 1.00 0.00 O ATOM 1257 CB PRO A 84 -6.061 6.618 -19.302 1.00 0.00 C ATOM 1258 CG PRO A 84 -6.785 5.600 -20.174 1.00 0.00 C ATOM 1259 CD PRO A 84 -5.934 4.351 -20.149 1.00 0.00 C ATOM 0 HA PRO A 84 -4.082 6.397 -18.544 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -6.749 7.107 -18.612 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -5.605 7.402 -19.907 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -7.785 5.399 -19.790 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -6.903 5.972 -21.192 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -6.533 3.492 -19.846 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -5.549 4.136 -21.146 1.00 0.00 H new ATOM 1267 N THR A 85 -4.346 5.417 -16.259 1.00 0.00 N ATOM 1268 CA THR A 85 -4.543 5.179 -14.844 1.00 0.00 C ATOM 1269 C THR A 85 -4.854 6.466 -14.093 1.00 0.00 C ATOM 1270 O THR A 85 -4.054 7.387 -14.062 1.00 0.00 O ATOM 1271 CB THR A 85 -3.373 4.432 -14.226 1.00 0.00 C ATOM 1272 OG1 THR A 85 -3.630 4.226 -12.875 1.00 0.00 O ATOM 1273 CG2 THR A 85 -2.041 5.160 -14.392 1.00 0.00 C ATOM 0 H THR A 85 -3.364 5.458 -16.531 1.00 0.00 H new ATOM 0 HA THR A 85 -5.416 4.534 -14.748 1.00 0.00 H new ATOM 0 HB THR A 85 -3.278 3.483 -14.754 1.00 0.00 H new ATOM 0 HG1 THR A 85 -2.785 4.091 -12.398 1.00 0.00 H new ATOM 0 HG21 THR A 85 -1.246 4.575 -13.929 1.00 0.00 H new ATOM 0 HG22 THR A 85 -1.826 5.289 -15.453 1.00 0.00 H new ATOM 0 HG23 THR A 85 -2.098 6.137 -13.912 1.00 0.00 H new ATOM 1281 N PHE A 86 -6.028 6.582 -13.505 1.00 0.00 N ATOM 1282 CA PHE A 86 -6.442 7.758 -12.771 1.00 0.00 C ATOM 1283 C PHE A 86 -5.935 7.701 -11.326 1.00 0.00 C ATOM 1284 O PHE A 86 -5.662 6.620 -10.793 1.00 0.00 O ATOM 1285 CB PHE A 86 -7.963 7.856 -12.797 1.00 0.00 C ATOM 1286 CG PHE A 86 -8.546 8.227 -14.148 1.00 0.00 C ATOM 1287 CD1 PHE A 86 -8.350 7.403 -15.274 1.00 0.00 C ATOM 1288 CD2 PHE A 86 -9.278 9.420 -14.298 1.00 0.00 C ATOM 1289 CE1 PHE A 86 -8.899 7.692 -16.528 1.00 0.00 C ATOM 1290 CE2 PHE A 86 -9.814 9.745 -15.562 1.00 0.00 C ATOM 1291 CZ PHE A 86 -9.634 8.879 -16.664 1.00 0.00 C ATOM 0 H PHE A 86 -6.734 5.846 -13.525 1.00 0.00 H new ATOM 0 HA PHE A 86 -6.013 8.643 -13.242 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -8.382 6.899 -12.485 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -8.279 8.597 -12.063 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -7.751 6.511 -15.165 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -9.428 10.079 -13.455 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -8.761 7.023 -17.364 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -10.367 10.664 -15.688 1.00 0.00 H new ATOM 0 HZ PHE A 86 -10.067 9.134 -17.620 1.00 0.00 H new ATOM 1301 N PRO A 87 -5.859 8.866 -10.668 1.00 0.00 N ATOM 1302 CA PRO A 87 -5.422 8.948 -9.292 1.00 0.00 C ATOM 1303 C PRO A 87 -6.504 8.500 -8.339 1.00 0.00 C ATOM 1304 O PRO A 87 -6.220 7.690 -7.465 1.00 0.00 O ATOM 1305 CB PRO A 87 -5.109 10.420 -9.045 1.00 0.00 C ATOM 1306 CG PRO A 87 -5.781 11.213 -10.165 1.00 0.00 C ATOM 1307 CD PRO A 87 -6.187 10.179 -11.206 1.00 0.00 C ATOM 0 HA PRO A 87 -4.561 8.301 -9.124 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -5.483 10.736 -8.071 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -4.032 10.591 -9.044 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -6.649 11.758 -9.794 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -5.099 11.950 -10.589 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -7.253 10.250 -11.422 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -5.660 10.352 -12.144 1.00 0.00 H new ATOM 1315 N ASP A 88 -7.748 8.957 -8.546 1.00 0.00 N ATOM 1316 CA ASP A 88 -8.897 8.546 -7.721 1.00 0.00 C ATOM 1317 C ASP A 88 -9.002 7.013 -7.682 1.00 0.00 C ATOM 1318 O ASP A 88 -9.502 6.381 -6.757 1.00 0.00 O ATOM 1319 CB ASP A 88 -10.183 9.144 -8.323 1.00 0.00 C ATOM 1320 CG ASP A 88 -11.127 9.761 -7.296 1.00 0.00 C ATOM 1321 OD1 ASP A 88 -10.937 9.534 -6.082 1.00 0.00 O ATOM 1322 OD2 ASP A 88 -12.068 10.398 -7.815 1.00 0.00 O ATOM 0 H ASP A 88 -7.987 9.618 -9.285 1.00 0.00 H new ATOM 0 HA ASP A 88 -8.762 8.909 -6.702 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -9.909 9.907 -9.052 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -10.715 8.362 -8.865 1.00 0.00 H new ATOM 1327 N GLY A 89 -8.530 6.383 -8.757 1.00 0.00 N ATOM 1328 CA GLY A 89 -8.583 4.960 -8.940 1.00 0.00 C ATOM 1329 C GLY A 89 -9.936 4.499 -9.426 1.00 0.00 C ATOM 1330 O GLY A 89 -10.049 3.303 -9.675 1.00 0.00 O ATOM 0 H GLY A 89 -8.092 6.874 -9.536 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -7.819 4.659 -9.657 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -8.349 4.465 -7.998 1.00 0.00 H new ATOM 1334 N HIS A 90 -10.955 5.383 -9.442 1.00 0.00 N ATOM 1335 CA HIS A 90 -12.300 5.058 -9.919 1.00 0.00 C ATOM 1336 C HIS A 90 -12.167 4.415 -11.280 1.00 0.00 C ATOM 1337 O HIS A 90 -11.358 4.901 -12.036 1.00 0.00 O ATOM 1338 CB HIS A 90 -13.169 6.337 -9.937 1.00 0.00 C ATOM 1339 CG HIS A 90 -12.894 7.390 -11.007 1.00 0.00 C ATOM 1340 ND1 HIS A 90 -12.899 7.222 -12.370 1.00 0.00 N flip ATOM 1341 CD2 HIS A 90 -12.613 8.724 -10.757 1.00 0.00 C flip ATOM 1342 CE1 HIS A 90 -12.536 8.405 -12.964 1.00 0.00 C flip ATOM 1343 NE2 HIS A 90 -12.410 9.310 -11.967 1.00 0.00 N flip ATOM 0 H HIS A 90 -10.859 6.346 -9.121 1.00 0.00 H new ATOM 0 HA HIS A 90 -12.803 4.353 -9.256 1.00 0.00 H new ATOM 0 HB2 HIS A 90 -14.210 6.029 -10.035 1.00 0.00 H new ATOM 0 HB3 HIS A 90 -13.069 6.819 -8.964 1.00 0.00 H new ATOM 0 HD1 HIS A 90 -13.134 6.359 -12.861 1.00 0.00 H new ATOM 0 HD2 HIS A 90 -12.565 9.204 -9.791 1.00 0.00 H new ATOM 0 HE1 HIS A 90 -12.382 8.579 -14.019 1.00 0.00 H new ATOM 1352 N ASP A 91 -12.910 3.372 -11.614 1.00 0.00 N ATOM 1353 CA ASP A 91 -12.880 2.770 -12.957 1.00 0.00 C ATOM 1354 C ASP A 91 -13.336 3.761 -14.030 1.00 0.00 C ATOM 1355 O ASP A 91 -14.187 4.618 -13.802 1.00 0.00 O ATOM 1356 CB ASP A 91 -13.850 1.595 -12.934 1.00 0.00 C ATOM 1357 CG ASP A 91 -14.132 1.025 -14.314 1.00 0.00 C ATOM 1358 OD1 ASP A 91 -14.953 1.621 -15.045 1.00 0.00 O ATOM 1359 OD2 ASP A 91 -13.462 0.003 -14.585 1.00 0.00 O ATOM 0 H ASP A 91 -13.553 2.912 -10.970 1.00 0.00 H new ATOM 0 HA ASP A 91 -11.862 2.466 -13.198 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -13.443 0.808 -12.299 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -14.788 1.916 -12.482 1.00 0.00 H new ATOM 1364 N TYR A 92 -12.704 3.684 -15.190 1.00 0.00 N ATOM 1365 CA TYR A 92 -12.916 4.617 -16.274 1.00 0.00 C ATOM 1366 C TYR A 92 -13.895 3.966 -17.236 1.00 0.00 C ATOM 1367 O TYR A 92 -13.906 2.768 -17.436 1.00 0.00 O ATOM 1368 CB TYR A 92 -11.556 5.005 -16.905 1.00 0.00 C ATOM 1369 CG TYR A 92 -10.325 4.755 -16.046 1.00 0.00 C ATOM 1370 CD1 TYR A 92 -10.307 5.199 -14.715 1.00 0.00 C ATOM 1371 CD2 TYR A 92 -9.234 4.012 -16.527 1.00 0.00 C ATOM 1372 CE1 TYR A 92 -9.226 4.912 -13.867 1.00 0.00 C ATOM 1373 CE2 TYR A 92 -8.141 3.778 -15.662 1.00 0.00 C ATOM 1374 CZ TYR A 92 -8.115 4.235 -14.339 1.00 0.00 C ATOM 1375 OH TYR A 92 -7.097 3.952 -13.494 1.00 0.00 O ATOM 0 H TYR A 92 -12.020 2.959 -15.404 1.00 0.00 H new ATOM 0 HA TYR A 92 -13.351 5.559 -15.941 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -11.441 4.454 -17.838 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -11.586 6.064 -17.162 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -11.140 5.772 -14.336 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -9.231 3.628 -17.536 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -9.262 5.223 -12.833 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -7.292 3.225 -16.036 1.00 0.00 H new ATOM 0 HH TYR A 92 -7.397 4.072 -12.569 1.00 0.00 H new ATOM 1385 N LYS A 93 -14.626 4.738 -18.009 1.00 0.00 N ATOM 1386 CA LYS A 93 -15.459 4.177 -19.069 1.00 0.00 C ATOM 1387 C LYS A 93 -14.636 3.891 -20.318 1.00 0.00 C ATOM 1388 O LYS A 93 -14.856 4.418 -21.402 1.00 0.00 O ATOM 1389 CB LYS A 93 -16.619 5.114 -19.288 1.00 0.00 C ATOM 1390 CG LYS A 93 -16.150 6.575 -19.395 1.00 0.00 C ATOM 1391 CD LYS A 93 -17.226 7.395 -20.064 1.00 0.00 C ATOM 1392 CE LYS A 93 -18.513 7.528 -19.274 1.00 0.00 C ATOM 1393 NZ LYS A 93 -19.391 6.372 -19.551 1.00 0.00 N ATOM 0 H LYS A 93 -14.666 5.754 -17.930 1.00 0.00 H new ATOM 0 HA LYS A 93 -15.864 3.206 -18.785 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -17.148 4.833 -20.198 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -17.327 5.017 -18.465 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -15.936 6.974 -18.404 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -15.224 6.631 -19.968 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -16.833 8.392 -20.260 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -17.455 6.947 -21.031 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -18.292 7.582 -18.208 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -19.021 8.455 -19.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -20.378 6.629 -19.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -19.303 6.101 -20.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -19.111 5.571 -18.950 1.00 0.00 H new ATOM 1407 N PHE A 94 -13.583 3.115 -20.141 1.00 0.00 N ATOM 1408 CA PHE A 94 -12.745 2.659 -21.214 1.00 0.00 C ATOM 1409 C PHE A 94 -13.482 1.664 -22.090 1.00 0.00 C ATOM 1410 O PHE A 94 -13.236 1.664 -23.276 1.00 0.00 O ATOM 1411 CB PHE A 94 -11.442 2.087 -20.681 1.00 0.00 C ATOM 1412 CG PHE A 94 -11.672 1.007 -19.651 1.00 0.00 C ATOM 1413 CD1 PHE A 94 -11.870 -0.340 -20.020 1.00 0.00 C ATOM 1414 CD2 PHE A 94 -11.709 1.365 -18.295 1.00 0.00 C ATOM 1415 CE1 PHE A 94 -12.090 -1.308 -19.010 1.00 0.00 C ATOM 1416 CE2 PHE A 94 -11.913 0.412 -17.292 1.00 0.00 C ATOM 1417 CZ PHE A 94 -12.120 -0.932 -17.645 1.00 0.00 C ATOM 0 H PHE A 94 -13.287 2.781 -19.224 1.00 0.00 H new ATOM 0 HA PHE A 94 -12.491 3.516 -21.838 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -10.861 1.680 -21.508 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -10.849 2.888 -20.239 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -11.854 -0.630 -21.060 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -11.577 2.401 -18.019 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -12.236 -2.343 -19.283 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -11.911 0.707 -16.253 1.00 0.00 H new ATOM 0 HZ PHE A 94 -12.301 -1.673 -16.881 1.00 0.00 H new ATOM 1427 N ASP A 95 -14.468 0.932 -21.579 1.00 0.00 N ATOM 1428 CA ASP A 95 -15.254 -0.046 -22.344 1.00 0.00 C ATOM 1429 C ASP A 95 -16.490 0.601 -22.977 1.00 0.00 C ATOM 1430 O ASP A 95 -16.958 0.192 -24.035 1.00 0.00 O ATOM 1431 CB ASP A 95 -15.654 -1.151 -21.373 1.00 0.00 C ATOM 1432 CG ASP A 95 -16.669 -2.097 -22.007 1.00 0.00 C ATOM 1433 OD1 ASP A 95 -16.226 -2.945 -22.811 1.00 0.00 O ATOM 1434 OD2 ASP A 95 -17.873 -1.891 -21.742 1.00 0.00 O ATOM 0 H ASP A 95 -14.753 1.000 -20.602 1.00 0.00 H new ATOM 0 HA ASP A 95 -14.663 -0.447 -23.167 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -14.769 -1.711 -21.070 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -16.077 -0.711 -20.470 1.00 0.00 H new ATOM 1439 N SER A 96 -16.925 1.738 -22.446 1.00 0.00 N ATOM 1440 CA SER A 96 -18.097 2.439 -22.931 1.00 0.00 C ATOM 1441 C SER A 96 -17.611 3.675 -23.620 1.00 0.00 C ATOM 1442 O SER A 96 -17.264 4.643 -22.963 1.00 0.00 O ATOM 1443 CB SER A 96 -19.040 2.784 -21.780 1.00 0.00 C ATOM 1444 OG SER A 96 -19.976 1.764 -21.567 1.00 0.00 O ATOM 0 H SER A 96 -16.467 2.199 -21.660 1.00 0.00 H new ATOM 0 HA SER A 96 -18.664 1.814 -23.621 1.00 0.00 H new ATOM 0 HB2 SER A 96 -18.463 2.947 -20.870 1.00 0.00 H new ATOM 0 HB3 SER A 96 -19.559 3.717 -21.999 1.00 0.00 H new ATOM 0 HG SER A 96 -20.565 2.011 -20.824 1.00 0.00 H new ATOM 1450 N LYS A 97 -17.563 3.649 -24.954 1.00 0.00 N ATOM 1451 CA LYS A 97 -17.187 4.829 -25.736 1.00 0.00 C ATOM 1452 C LYS A 97 -18.278 5.894 -25.643 1.00 0.00 C ATOM 1453 O LYS A 97 -18.063 7.067 -25.923 1.00 0.00 O ATOM 1454 CB LYS A 97 -16.982 4.466 -27.206 1.00 0.00 C ATOM 1455 CG LYS A 97 -18.187 4.581 -28.107 1.00 0.00 C ATOM 1456 CD LYS A 97 -18.001 3.787 -29.401 1.00 0.00 C ATOM 1457 CE LYS A 97 -18.906 2.543 -29.390 1.00 0.00 C ATOM 1458 NZ LYS A 97 -20.330 2.924 -29.581 1.00 0.00 N ATOM 0 H LYS A 97 -17.780 2.825 -25.515 1.00 0.00 H new ATOM 0 HA LYS A 97 -16.254 5.215 -25.326 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -16.195 5.104 -27.607 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -16.617 3.440 -27.255 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -19.071 4.219 -27.581 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -18.365 5.630 -28.345 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -18.241 4.414 -30.260 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -16.958 3.487 -29.507 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -18.599 1.858 -30.180 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -18.791 2.012 -28.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -20.883 2.082 -29.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -20.704 3.325 -28.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -20.401 3.632 -30.340 1.00 0.00 H new ATOM 1472 N LYS A 98 -19.525 5.448 -25.466 1.00 0.00 N ATOM 1473 CA LYS A 98 -20.645 6.354 -25.365 1.00 0.00 C ATOM 1474 C LYS A 98 -21.416 6.065 -24.067 1.00 0.00 C ATOM 1475 O LYS A 98 -22.000 4.986 -23.978 1.00 0.00 O ATOM 1476 CB LYS A 98 -21.480 6.377 -26.642 1.00 0.00 C ATOM 1477 CG LYS A 98 -21.398 7.779 -27.293 1.00 0.00 C ATOM 1478 CD LYS A 98 -22.730 8.109 -27.965 1.00 0.00 C ATOM 1479 CE LYS A 98 -22.692 9.508 -28.592 1.00 0.00 C ATOM 1480 NZ LYS A 98 -22.942 10.563 -27.575 1.00 0.00 N ATOM 0 H LYS A 98 -19.772 4.461 -25.391 1.00 0.00 H new ATOM 0 HA LYS A 98 -20.294 7.383 -25.285 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -21.118 5.620 -27.338 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -22.517 6.131 -26.414 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -21.164 8.529 -26.537 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -20.592 7.804 -28.027 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -22.949 7.367 -28.733 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -23.535 8.056 -27.232 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -21.721 9.673 -29.059 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -23.441 9.576 -29.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -22.910 11.498 -28.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -23.879 10.418 -27.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -22.212 10.512 -26.836 1.00 0.00 H new ATOM 1494 N PRO A 99 -21.409 7.015 -23.100 1.00 0.00 N ATOM 1495 CA PRO A 99 -20.651 8.270 -23.183 1.00 0.00 C ATOM 1496 C PRO A 99 -19.163 8.001 -23.067 1.00 0.00 C ATOM 1497 O PRO A 99 -18.812 6.865 -22.813 1.00 0.00 O ATOM 1498 CB PRO A 99 -21.144 9.180 -22.096 1.00 0.00 C ATOM 1499 CG PRO A 99 -21.860 8.251 -21.108 1.00 0.00 C ATOM 1500 CD PRO A 99 -22.037 6.884 -21.796 1.00 0.00 C ATOM 0 HA PRO A 99 -20.805 8.750 -24.149 1.00 0.00 H new ATOM 0 HB2 PRO A 99 -20.320 9.708 -21.617 1.00 0.00 H new ATOM 0 HB3 PRO A 99 -21.822 9.937 -22.490 1.00 0.00 H new ATOM 0 HG2 PRO A 99 -21.279 8.146 -20.192 1.00 0.00 H new ATOM 0 HG3 PRO A 99 -22.828 8.665 -20.826 1.00 0.00 H new ATOM 0 HD2 PRO A 99 -21.569 6.090 -21.214 1.00 0.00 H new ATOM 0 HD3 PRO A 99 -23.092 6.629 -21.894 1.00 0.00 H new ATOM 1508 N LYS A 100 -18.308 9.004 -23.254 1.00 0.00 N ATOM 1509 CA LYS A 100 -16.845 8.908 -23.131 1.00 0.00 C ATOM 1510 C LYS A 100 -16.327 10.019 -22.255 1.00 0.00 C ATOM 1511 O LYS A 100 -16.903 11.095 -22.290 1.00 0.00 O ATOM 1512 CB LYS A 100 -16.201 8.958 -24.520 1.00 0.00 C ATOM 1513 CG LYS A 100 -15.493 7.628 -24.785 1.00 0.00 C ATOM 1514 CD LYS A 100 -14.017 7.747 -24.521 1.00 0.00 C ATOM 1515 CE LYS A 100 -13.233 7.764 -25.850 1.00 0.00 C ATOM 1516 NZ LYS A 100 -13.196 9.136 -26.388 1.00 0.00 N ATOM 0 H LYS A 100 -18.621 9.942 -23.505 1.00 0.00 H new ATOM 0 HA LYS A 100 -16.583 7.958 -22.666 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -16.960 9.140 -25.281 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -15.489 9.782 -24.576 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -15.919 6.851 -24.150 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -15.659 7.322 -25.818 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -13.814 8.659 -23.960 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -13.683 6.912 -23.905 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -12.219 7.399 -25.690 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -13.703 7.094 -26.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -12.667 9.144 -27.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -14.167 9.469 -26.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -12.728 9.765 -25.704 1.00 0.00 H new ATOM 1530 N GLU A 101 -15.276 9.727 -21.501 1.00 0.00 N ATOM 1531 CA GLU A 101 -14.696 10.687 -20.572 1.00 0.00 C ATOM 1532 C GLU A 101 -13.336 11.128 -21.095 1.00 0.00 C ATOM 1533 O GLU A 101 -12.822 10.602 -22.097 1.00 0.00 O ATOM 1534 CB GLU A 101 -14.591 10.097 -19.150 1.00 0.00 C ATOM 1535 CG GLU A 101 -14.897 11.180 -18.096 1.00 0.00 C ATOM 1536 CD GLU A 101 -16.350 11.050 -17.615 1.00 0.00 C ATOM 1537 OE1 GLU A 101 -17.252 11.202 -18.471 1.00 0.00 O ATOM 1538 OE2 GLU A 101 -16.536 10.613 -16.462 1.00 0.00 O ATOM 0 H GLU A 101 -14.804 8.823 -21.516 1.00 0.00 H new ATOM 0 HA GLU A 101 -15.348 11.558 -20.503 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -15.289 9.267 -19.041 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -13.591 9.696 -18.989 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -14.215 11.080 -17.251 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -14.734 12.170 -18.522 1.00 0.00 H new ATOM 1545 N ASN A 102 -12.746 12.082 -20.385 1.00 0.00 N ATOM 1546 CA ASN A 102 -11.423 12.547 -20.721 1.00 0.00 C ATOM 1547 C ASN A 102 -10.337 11.557 -20.275 1.00 0.00 C ATOM 1548 O ASN A 102 -10.431 11.002 -19.179 1.00 0.00 O ATOM 1549 CB ASN A 102 -11.183 13.939 -20.121 1.00 0.00 C ATOM 1550 CG ASN A 102 -10.722 14.952 -21.150 1.00 0.00 C ATOM 1551 OD1 ASN A 102 -10.759 14.772 -22.352 1.00 0.00 O ATOM 1552 ND2 ASN A 102 -10.220 16.062 -20.695 1.00 0.00 N ATOM 0 H ASN A 102 -13.168 12.542 -19.578 1.00 0.00 H new ATOM 0 HA ASN A 102 -11.359 12.618 -21.807 1.00 0.00 H new ATOM 0 HB2 ASN A 102 -12.104 14.293 -19.657 1.00 0.00 H new ATOM 0 HB3 ASN A 102 -10.436 13.865 -19.331 1.00 0.00 H new ATOM 0 HD21 ASN A 102 -9.865 16.765 -21.343 1.00 0.00 H new ATOM 0 HD22 ASN A 102 -10.181 16.230 -19.690 1.00 0.00 H new ATOM 1559 N PRO A 103 -9.294 11.336 -21.092 1.00 0.00 N ATOM 1560 CA PRO A 103 -8.176 10.492 -20.718 1.00 0.00 C ATOM 1561 C PRO A 103 -7.275 11.165 -19.670 1.00 0.00 C ATOM 1562 O PRO A 103 -7.615 12.136 -19.000 1.00 0.00 O ATOM 1563 CB PRO A 103 -7.464 10.176 -22.043 1.00 0.00 C ATOM 1564 CG PRO A 103 -7.898 11.267 -23.035 1.00 0.00 C ATOM 1565 CD PRO A 103 -9.099 11.949 -22.396 1.00 0.00 C ATOM 0 HA PRO A 103 -8.490 9.573 -20.223 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -6.382 10.177 -21.913 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -7.741 9.187 -22.407 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -7.092 11.979 -23.212 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -8.160 10.836 -24.001 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -8.926 13.020 -22.296 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -9.987 11.826 -23.016 1.00 0.00 H new ATOM 1573 N GLY A 104 -6.085 10.600 -19.496 1.00 0.00 N ATOM 1574 CA GLY A 104 -5.086 11.161 -18.602 1.00 0.00 C ATOM 1575 C GLY A 104 -3.685 11.162 -19.204 1.00 0.00 C ATOM 1576 O GLY A 104 -3.449 10.459 -20.189 1.00 0.00 O ATOM 0 H GLY A 104 -5.790 9.746 -19.969 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -5.367 12.183 -18.347 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -5.076 10.591 -17.673 1.00 0.00 H new ATOM 1580 N PRO A 105 -2.754 11.935 -18.632 1.00 0.00 N ATOM 1581 CA PRO A 105 -1.383 11.990 -19.112 1.00 0.00 C ATOM 1582 C PRO A 105 -0.607 10.758 -18.678 1.00 0.00 C ATOM 1583 O PRO A 105 0.068 10.124 -19.483 1.00 0.00 O ATOM 1584 CB PRO A 105 -0.792 13.252 -18.487 1.00 0.00 C ATOM 1585 CG PRO A 105 -1.725 13.642 -17.320 1.00 0.00 C ATOM 1586 CD PRO A 105 -2.990 12.808 -17.496 1.00 0.00 C ATOM 0 HA PRO A 105 -1.335 12.014 -20.201 1.00 0.00 H new ATOM 0 HB2 PRO A 105 0.221 13.070 -18.129 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -0.731 14.056 -19.220 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -1.254 13.438 -16.359 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -1.954 14.707 -17.343 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -3.200 12.227 -16.598 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -3.855 13.448 -17.671 1.00 0.00 H new ATOM 1594 N ALA A 106 -0.664 10.425 -17.394 1.00 0.00 N ATOM 1595 CA ALA A 106 -0.004 9.234 -16.895 1.00 0.00 C ATOM 1596 C ALA A 106 -0.780 7.998 -17.284 1.00 0.00 C ATOM 1597 O ALA A 106 -2.015 8.002 -17.260 1.00 0.00 O ATOM 1598 CB ALA A 106 0.090 9.344 -15.409 1.00 0.00 C ATOM 0 H ALA A 106 -1.160 10.964 -16.684 1.00 0.00 H new ATOM 0 HA ALA A 106 0.993 9.150 -17.328 1.00 0.00 H new ATOM 0 HB1 ALA A 106 0.584 8.458 -15.009 1.00 0.00 H new ATOM 0 HB2 ALA A 106 0.666 10.231 -15.146 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -0.911 9.423 -14.986 1.00 0.00 H new ATOM 1604 N ARG A 107 -0.043 6.941 -17.609 1.00 0.00 N ATOM 1605 CA ARG A 107 -0.609 5.659 -17.974 1.00 0.00 C ATOM 1606 C ARG A 107 0.213 4.508 -17.475 1.00 0.00 C ATOM 1607 O ARG A 107 1.420 4.644 -17.451 1.00 0.00 O ATOM 1608 CB ARG A 107 -0.687 5.572 -19.499 1.00 0.00 C ATOM 1609 CG ARG A 107 -1.773 6.483 -20.053 1.00 0.00 C ATOM 1610 CD ARG A 107 -2.623 5.841 -21.134 1.00 0.00 C ATOM 1611 NE ARG A 107 -2.371 6.524 -22.387 1.00 0.00 N ATOM 1612 CZ ARG A 107 -2.819 7.713 -22.715 1.00 0.00 C ATOM 1613 NH1 ARG A 107 -3.573 8.384 -21.911 1.00 0.00 N ATOM 1614 NH2 ARG A 107 -2.583 8.197 -23.891 1.00 0.00 N ATOM 0 H ARG A 107 0.977 6.957 -17.625 1.00 0.00 H new ATOM 0 HA ARG A 107 -1.596 5.591 -17.516 1.00 0.00 H new ATOM 0 HB2 ARG A 107 0.276 5.847 -19.930 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -0.887 4.543 -19.796 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -2.421 6.799 -19.235 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -1.308 7.382 -20.457 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -2.382 4.782 -21.225 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -3.679 5.906 -20.873 1.00 0.00 H new ATOM 0 HE ARG A 107 -1.795 6.038 -23.074 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -3.829 7.991 -21.005 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -3.913 9.307 -22.181 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -2.047 7.654 -24.568 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -2.933 9.122 -24.142 1.00 0.00 H new ATOM 1628 N VAL A 108 -0.420 3.403 -17.103 1.00 0.00 N ATOM 1629 CA VAL A 108 0.259 2.190 -16.642 1.00 0.00 C ATOM 1630 C VAL A 108 0.792 1.399 -17.816 1.00 0.00 C ATOM 1631 O VAL A 108 0.059 1.094 -18.747 1.00 0.00 O ATOM 1632 CB VAL A 108 -0.694 1.358 -15.785 1.00 0.00 C ATOM 1633 CG1 VAL A 108 -1.998 1.046 -16.488 1.00 0.00 C ATOM 1634 CG2 VAL A 108 -0.009 0.079 -15.328 1.00 0.00 C ATOM 0 H VAL A 108 -1.436 3.319 -17.112 1.00 0.00 H new ATOM 0 HA VAL A 108 1.114 2.468 -16.026 1.00 0.00 H new ATOM 0 HB VAL A 108 -0.950 1.962 -14.914 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -2.633 0.453 -15.830 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -2.506 1.976 -16.742 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -1.795 0.484 -17.399 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -0.698 -0.505 -14.718 1.00 0.00 H new ATOM 0 HG22 VAL A 108 0.289 -0.505 -16.199 1.00 0.00 H new ATOM 0 HG23 VAL A 108 0.873 0.329 -14.739 1.00 0.00 H new ATOM 1644 N ILE A 109 2.079 1.109 -17.802 1.00 0.00 N ATOM 1645 CA ILE A 109 2.754 0.377 -18.854 1.00 0.00 C ATOM 1646 C ILE A 109 3.011 -1.027 -18.407 1.00 0.00 C ATOM 1647 O ILE A 109 3.363 -1.258 -17.251 1.00 0.00 O ATOM 1648 CB ILE A 109 4.041 1.125 -19.233 1.00 0.00 C ATOM 1649 CG1 ILE A 109 3.755 2.531 -19.770 1.00 0.00 C ATOM 1650 CG2 ILE A 109 4.792 0.357 -20.284 1.00 0.00 C ATOM 1651 CD1 ILE A 109 2.482 2.647 -20.549 1.00 0.00 C ATOM 0 H ILE A 109 2.698 1.383 -17.039 1.00 0.00 H new ATOM 0 HA ILE A 109 2.131 0.316 -19.746 1.00 0.00 H new ATOM 0 HB ILE A 109 4.635 1.216 -18.324 1.00 0.00 H new ATOM 0 HG12 ILE A 109 3.719 3.227 -18.932 1.00 0.00 H new ATOM 0 HG13 ILE A 109 4.585 2.840 -20.405 1.00 0.00 H new ATOM 0 HG21 ILE A 109 5.703 0.895 -20.546 1.00 0.00 H new ATOM 0 HG22 ILE A 109 5.051 -0.629 -19.899 1.00 0.00 H new ATOM 0 HG23 ILE A 109 4.167 0.247 -21.170 1.00 0.00 H new ATOM 0 HD11 ILE A 109 2.357 3.674 -20.892 1.00 0.00 H new ATOM 0 HD12 ILE A 109 2.520 1.979 -21.410 1.00 0.00 H new ATOM 0 HD13 ILE A 109 1.640 2.372 -19.914 1.00 0.00 H new ATOM 1663 N TYR A 110 2.855 -1.962 -19.332 1.00 0.00 N ATOM 1664 CA TYR A 110 3.027 -3.366 -19.051 1.00 0.00 C ATOM 1665 C TYR A 110 3.125 -4.150 -20.352 1.00 0.00 C ATOM 1666 O TYR A 110 2.617 -3.763 -21.407 1.00 0.00 O ATOM 1667 CB TYR A 110 1.814 -3.817 -18.239 1.00 0.00 C ATOM 1668 CG TYR A 110 0.511 -3.724 -19.018 1.00 0.00 C ATOM 1669 CD1 TYR A 110 0.240 -4.638 -20.059 1.00 0.00 C ATOM 1670 CD2 TYR A 110 -0.459 -2.757 -18.683 1.00 0.00 C ATOM 1671 CE1 TYR A 110 -0.950 -4.602 -20.791 1.00 0.00 C ATOM 1672 CE2 TYR A 110 -1.680 -2.733 -19.392 1.00 0.00 C ATOM 1673 CZ TYR A 110 -1.923 -3.642 -20.453 1.00 0.00 C ATOM 1674 OH TYR A 110 -3.110 -3.636 -21.100 1.00 0.00 O ATOM 0 H TYR A 110 2.605 -1.760 -20.300 1.00 0.00 H new ATOM 0 HA TYR A 110 3.945 -3.543 -18.491 1.00 0.00 H new ATOM 0 HB2 TYR A 110 1.964 -4.846 -17.913 1.00 0.00 H new ATOM 0 HB3 TYR A 110 1.738 -3.206 -17.340 1.00 0.00 H new ATOM 0 HD1 TYR A 110 0.977 -5.390 -20.298 1.00 0.00 H new ATOM 0 HD2 TYR A 110 -0.271 -2.044 -17.894 1.00 0.00 H new ATOM 0 HE1 TYR A 110 -1.120 -5.297 -21.600 1.00 0.00 H new ATOM 0 HE2 TYR A 110 -2.439 -2.013 -19.123 1.00 0.00 H new ATOM 0 HH TYR A 110 -3.670 -2.913 -20.749 1.00 0.00 H new ATOM 1684 N THR A 111 3.817 -5.267 -20.279 1.00 0.00 N ATOM 1685 CA THR A 111 4.022 -6.119 -21.449 1.00 0.00 C ATOM 1686 C THR A 111 2.902 -7.116 -21.532 1.00 0.00 C ATOM 1687 O THR A 111 2.185 -7.282 -20.553 1.00 0.00 O ATOM 1688 CB THR A 111 5.392 -6.793 -21.358 1.00 0.00 C ATOM 1689 OG1 THR A 111 5.346 -7.978 -20.613 1.00 0.00 O ATOM 1690 CG2 THR A 111 6.405 -5.899 -20.648 1.00 0.00 C ATOM 0 H THR A 111 4.251 -5.614 -19.424 1.00 0.00 H new ATOM 0 HA THR A 111 4.011 -5.526 -22.364 1.00 0.00 H new ATOM 0 HB THR A 111 5.683 -6.991 -22.389 1.00 0.00 H new ATOM 0 HG1 THR A 111 6.122 -8.534 -20.835 1.00 0.00 H new ATOM 0 HG21 THR A 111 7.368 -6.407 -20.600 1.00 0.00 H new ATOM 0 HG22 THR A 111 6.515 -4.965 -21.199 1.00 0.00 H new ATOM 0 HG23 THR A 111 6.057 -5.686 -19.637 1.00 0.00 H new ATOM 1698 N TYR A 112 2.778 -7.808 -22.657 1.00 0.00 N ATOM 1699 CA TYR A 112 1.774 -8.836 -22.826 1.00 0.00 C ATOM 1700 C TYR A 112 2.411 -10.251 -22.838 1.00 0.00 C ATOM 1701 O TYR A 112 3.538 -10.422 -23.322 1.00 0.00 O ATOM 1702 CB TYR A 112 0.908 -8.473 -24.040 1.00 0.00 C ATOM 1703 CG TYR A 112 0.040 -9.591 -24.607 1.00 0.00 C ATOM 1704 CD1 TYR A 112 0.616 -10.768 -25.126 1.00 0.00 C ATOM 1705 CD2 TYR A 112 -1.360 -9.498 -24.556 1.00 0.00 C ATOM 1706 CE1 TYR A 112 -0.150 -11.823 -25.620 1.00 0.00 C ATOM 1707 CE2 TYR A 112 -2.154 -10.539 -25.076 1.00 0.00 C ATOM 1708 CZ TYR A 112 -1.550 -11.692 -25.636 1.00 0.00 C ATOM 1709 OH TYR A 112 -2.308 -12.724 -26.052 1.00 0.00 O ATOM 0 H TYR A 112 3.373 -7.668 -23.474 1.00 0.00 H new ATOM 0 HA TYR A 112 1.098 -8.880 -21.972 1.00 0.00 H new ATOM 0 HB2 TYR A 112 0.259 -7.643 -23.762 1.00 0.00 H new ATOM 0 HB3 TYR A 112 1.564 -8.113 -24.833 1.00 0.00 H new ATOM 0 HD1 TYR A 112 1.692 -10.856 -25.142 1.00 0.00 H new ATOM 0 HD2 TYR A 112 -1.828 -8.629 -24.118 1.00 0.00 H new ATOM 0 HE1 TYR A 112 0.323 -12.723 -25.983 1.00 0.00 H new ATOM 0 HE2 TYR A 112 -3.231 -10.458 -25.048 1.00 0.00 H new ATOM 0 HH TYR A 112 -3.255 -12.475 -26.002 1.00 0.00 H new ATOM 1719 N PRO A 113 1.637 -11.289 -22.450 1.00 0.00 N ATOM 1720 CA PRO A 113 0.291 -11.155 -21.912 1.00 0.00 C ATOM 1721 C PRO A 113 0.403 -10.678 -20.505 1.00 0.00 C ATOM 1722 O PRO A 113 -0.167 -9.652 -20.179 1.00 0.00 O ATOM 1723 CB PRO A 113 -0.416 -12.484 -22.026 1.00 0.00 C ATOM 1724 CG PRO A 113 0.711 -13.498 -22.275 1.00 0.00 C ATOM 1725 CD PRO A 113 1.962 -12.686 -22.671 1.00 0.00 C ATOM 0 HA PRO A 113 -0.301 -10.428 -22.468 1.00 0.00 H new ATOM 0 HB2 PRO A 113 -0.968 -12.719 -21.116 1.00 0.00 H new ATOM 0 HB3 PRO A 113 -1.136 -12.482 -22.844 1.00 0.00 H new ATOM 0 HG2 PRO A 113 0.902 -14.091 -21.381 1.00 0.00 H new ATOM 0 HG3 PRO A 113 0.436 -14.195 -23.067 1.00 0.00 H new ATOM 0 HD2 PRO A 113 2.822 -12.983 -22.071 1.00 0.00 H new ATOM 0 HD3 PRO A 113 2.224 -12.862 -23.714 1.00 0.00 H new ATOM 1733 N ASN A 114 1.148 -11.392 -19.674 1.00 0.00 N ATOM 1734 CA ASN A 114 1.350 -11.049 -18.280 1.00 0.00 C ATOM 1735 C ASN A 114 1.619 -9.573 -18.154 1.00 0.00 C ATOM 1736 O ASN A 114 2.632 -9.161 -18.693 1.00 0.00 O ATOM 1737 CB ASN A 114 2.560 -11.806 -17.733 1.00 0.00 C ATOM 1738 CG ASN A 114 2.498 -11.887 -16.229 1.00 0.00 C ATOM 1739 OD1 ASN A 114 1.546 -11.488 -15.581 1.00 0.00 O ATOM 1740 ND2 ASN A 114 3.526 -12.421 -15.643 1.00 0.00 N ATOM 0 H ASN A 114 1.637 -12.241 -19.958 1.00 0.00 H new ATOM 0 HA ASN A 114 0.454 -11.317 -17.719 1.00 0.00 H new ATOM 0 HB2 ASN A 114 2.589 -12.810 -18.156 1.00 0.00 H new ATOM 0 HB3 ASN A 114 3.478 -11.304 -18.038 1.00 0.00 H new ATOM 0 HD21 ASN A 114 3.544 -12.511 -14.627 1.00 0.00 H new ATOM 0 HD22 ASN A 114 4.316 -12.750 -16.198 1.00 0.00 H new ATOM 1747 N LYS A 115 0.712 -8.797 -17.553 1.00 0.00 N ATOM 1748 CA LYS A 115 0.821 -7.350 -17.406 1.00 0.00 C ATOM 1749 C LYS A 115 1.978 -7.062 -16.487 1.00 0.00 C ATOM 1750 O LYS A 115 1.759 -6.817 -15.310 1.00 0.00 O ATOM 1751 CB LYS A 115 -0.492 -6.771 -16.842 1.00 0.00 C ATOM 1752 CG LYS A 115 -1.329 -6.174 -17.953 1.00 0.00 C ATOM 1753 CD LYS A 115 -2.792 -6.517 -17.885 1.00 0.00 C ATOM 1754 CE LYS A 115 -2.941 -8.037 -18.074 1.00 0.00 C ATOM 1755 NZ LYS A 115 -3.324 -8.683 -16.809 1.00 0.00 N ATOM 0 H LYS A 115 -0.143 -9.174 -17.144 1.00 0.00 H new ATOM 0 HA LYS A 115 0.995 -6.880 -18.374 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -1.055 -7.556 -16.336 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -0.269 -6.008 -16.096 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -1.222 -5.090 -17.929 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -0.934 -6.512 -18.911 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -3.210 -6.211 -16.926 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -3.344 -5.982 -18.658 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -3.694 -8.242 -18.835 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -2.002 -8.458 -18.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -2.772 -9.556 -16.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -3.133 -8.036 -16.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -4.338 -8.914 -16.830 1.00 0.00 H new ATOM 1769 N VAL A 116 3.196 -7.186 -16.998 1.00 0.00 N ATOM 1770 CA VAL A 116 4.449 -7.032 -16.272 1.00 0.00 C ATOM 1771 C VAL A 116 4.629 -5.538 -16.079 1.00 0.00 C ATOM 1772 O VAL A 116 5.345 -4.901 -16.850 1.00 0.00 O ATOM 1773 CB VAL A 116 5.623 -7.643 -17.058 1.00 0.00 C ATOM 1774 CG1 VAL A 116 6.947 -7.273 -16.402 1.00 0.00 C ATOM 1775 CG2 VAL A 116 5.530 -9.167 -17.119 1.00 0.00 C ATOM 0 H VAL A 116 3.344 -7.409 -17.982 1.00 0.00 H new ATOM 0 HA VAL A 116 4.426 -7.555 -15.316 1.00 0.00 H new ATOM 0 HB VAL A 116 5.572 -7.242 -18.070 1.00 0.00 H new ATOM 0 HG11 VAL A 116 7.769 -7.712 -16.968 1.00 0.00 H new ATOM 0 HG12 VAL A 116 7.055 -6.188 -16.387 1.00 0.00 H new ATOM 0 HG13 VAL A 116 6.966 -7.654 -15.381 1.00 0.00 H new ATOM 0 HG21 VAL A 116 6.376 -9.561 -17.682 1.00 0.00 H new ATOM 0 HG22 VAL A 116 5.546 -9.573 -16.108 1.00 0.00 H new ATOM 0 HG23 VAL A 116 4.601 -9.455 -17.611 1.00 0.00 H new ATOM 1785 N PHE A 117 3.806 -4.976 -15.190 1.00 0.00 N ATOM 1786 CA PHE A 117 3.753 -3.576 -14.839 1.00 0.00 C ATOM 1787 C PHE A 117 5.188 -3.077 -14.801 1.00 0.00 C ATOM 1788 O PHE A 117 5.991 -3.552 -14.000 1.00 0.00 O ATOM 1789 CB PHE A 117 3.034 -3.459 -13.498 1.00 0.00 C ATOM 1790 CG PHE A 117 3.116 -2.077 -12.919 1.00 0.00 C ATOM 1791 CD1 PHE A 117 4.313 -1.637 -12.320 1.00 0.00 C ATOM 1792 CD2 PHE A 117 2.005 -1.222 -12.993 1.00 0.00 C ATOM 1793 CE1 PHE A 117 4.404 -0.326 -11.868 1.00 0.00 C ATOM 1794 CE2 PHE A 117 2.088 0.071 -12.449 1.00 0.00 C ATOM 1795 CZ PHE A 117 3.291 0.530 -11.888 1.00 0.00 C ATOM 0 H PHE A 117 3.123 -5.529 -14.672 1.00 0.00 H new ATOM 0 HA PHE A 117 3.201 -2.965 -15.554 1.00 0.00 H new ATOM 0 HB2 PHE A 117 1.987 -3.734 -13.626 1.00 0.00 H new ATOM 0 HB3 PHE A 117 3.467 -4.170 -12.794 1.00 0.00 H new ATOM 0 HD1 PHE A 117 5.150 -2.311 -12.213 1.00 0.00 H new ATOM 0 HD2 PHE A 117 1.093 -1.556 -13.465 1.00 0.00 H new ATOM 0 HE1 PHE A 117 5.348 0.041 -11.494 1.00 0.00 H new ATOM 0 HE2 PHE A 117 1.222 0.716 -12.462 1.00 0.00 H new ATOM 0 HZ PHE A 117 3.359 1.527 -11.478 1.00 0.00 H new ATOM 1805 N CYS A 118 5.547 -2.228 -15.747 1.00 0.00 N ATOM 1806 CA CYS A 118 6.853 -1.631 -15.752 1.00 0.00 C ATOM 1807 C CYS A 118 6.836 -0.309 -14.993 1.00 0.00 C ATOM 1808 O CYS A 118 7.869 0.137 -14.506 1.00 0.00 O ATOM 1809 CB CYS A 118 7.290 -1.483 -17.200 1.00 0.00 C ATOM 1810 SG CYS A 118 8.745 -2.505 -17.475 1.00 0.00 S ATOM 0 H CYS A 118 4.945 -1.942 -16.519 1.00 0.00 H new ATOM 0 HA CYS A 118 7.578 -2.260 -15.235 1.00 0.00 H new ATOM 0 HB2 CYS A 118 6.485 -1.785 -17.870 1.00 0.00 H new ATOM 0 HB3 CYS A 118 7.514 -0.440 -17.422 1.00 0.00 H new ATOM 1815 N GLY A 119 5.661 0.305 -14.874 1.00 0.00 N ATOM 1816 CA GLY A 119 5.492 1.600 -14.244 1.00 0.00 C ATOM 1817 C GLY A 119 4.609 2.504 -15.044 1.00 0.00 C ATOM 1818 O GLY A 119 3.927 2.065 -15.957 1.00 0.00 O ATOM 0 H GLY A 119 4.789 -0.095 -15.220 1.00 0.00 H new ATOM 0 HA2 GLY A 119 5.067 1.466 -13.249 1.00 0.00 H new ATOM 0 HA3 GLY A 119 6.467 2.069 -14.113 1.00 0.00 H new ATOM 1822 N ILE A 120 4.557 3.762 -14.654 1.00 0.00 N ATOM 1823 CA ILE A 120 3.718 4.728 -15.349 1.00 0.00 C ATOM 1824 C ILE A 120 4.646 5.623 -16.112 1.00 0.00 C ATOM 1825 O ILE A 120 5.768 5.822 -15.684 1.00 0.00 O ATOM 1826 CB ILE A 120 2.800 5.451 -14.340 1.00 0.00 C ATOM 1827 CG1 ILE A 120 1.729 4.494 -13.804 1.00 0.00 C ATOM 1828 CG2 ILE A 120 2.078 6.661 -14.941 1.00 0.00 C ATOM 1829 CD1 ILE A 120 2.289 3.584 -12.716 1.00 0.00 C ATOM 0 H ILE A 120 5.081 4.141 -13.865 1.00 0.00 H new ATOM 0 HA ILE A 120 3.031 4.268 -16.059 1.00 0.00 H new ATOM 0 HB ILE A 120 3.458 5.797 -13.543 1.00 0.00 H new ATOM 0 HG12 ILE A 120 0.893 5.068 -13.405 1.00 0.00 H new ATOM 0 HG13 ILE A 120 1.338 3.888 -14.622 1.00 0.00 H new ATOM 0 HG21 ILE A 120 1.449 7.124 -14.181 1.00 0.00 H new ATOM 0 HG22 ILE A 120 2.813 7.384 -15.294 1.00 0.00 H new ATOM 0 HG23 ILE A 120 1.458 6.336 -15.776 1.00 0.00 H new ATOM 0 HD11 ILE A 120 1.503 2.919 -12.358 1.00 0.00 H new ATOM 0 HD12 ILE A 120 3.109 2.992 -13.123 1.00 0.00 H new ATOM 0 HD13 ILE A 120 2.656 4.190 -11.888 1.00 0.00 H new ATOM 1841 N ILE A 121 4.206 6.186 -17.224 1.00 0.00 N ATOM 1842 CA ILE A 121 5.017 7.113 -17.998 1.00 0.00 C ATOM 1843 C ILE A 121 4.278 8.426 -18.079 1.00 0.00 C ATOM 1844 O ILE A 121 3.051 8.429 -18.027 1.00 0.00 O ATOM 1845 CB ILE A 121 5.290 6.503 -19.372 1.00 0.00 C ATOM 1846 CG1 ILE A 121 4.066 6.600 -20.317 1.00 0.00 C ATOM 1847 CG2 ILE A 121 5.788 5.063 -19.260 1.00 0.00 C ATOM 1848 CD1 ILE A 121 4.455 6.279 -21.741 1.00 0.00 C ATOM 0 H ILE A 121 3.280 6.015 -17.616 1.00 0.00 H new ATOM 0 HA ILE A 121 5.984 7.298 -17.530 1.00 0.00 H new ATOM 0 HB ILE A 121 6.085 7.098 -19.821 1.00 0.00 H new ATOM 0 HG12 ILE A 121 3.290 5.911 -19.984 1.00 0.00 H new ATOM 0 HG13 ILE A 121 3.644 7.604 -20.269 1.00 0.00 H new ATOM 0 HG21 ILE A 121 5.971 4.663 -20.257 1.00 0.00 H new ATOM 0 HG22 ILE A 121 6.714 5.042 -18.685 1.00 0.00 H new ATOM 0 HG23 ILE A 121 5.035 4.456 -18.758 1.00 0.00 H new ATOM 0 HD11 ILE A 121 3.578 6.354 -22.384 1.00 0.00 H new ATOM 0 HD12 ILE A 121 5.214 6.985 -22.079 1.00 0.00 H new ATOM 0 HD13 ILE A 121 4.854 5.266 -21.790 1.00 0.00 H new ATOM 1860 N ALA A 122 4.994 9.525 -18.267 1.00 0.00 N ATOM 1861 CA ALA A 122 4.427 10.849 -18.468 1.00 0.00 C ATOM 1862 C ALA A 122 5.539 11.854 -18.792 1.00 0.00 C ATOM 1863 O ALA A 122 6.728 11.669 -18.520 1.00 0.00 O ATOM 1864 CB ALA A 122 3.722 11.285 -17.187 1.00 0.00 C ATOM 0 H ALA A 122 6.014 9.519 -18.284 1.00 0.00 H new ATOM 0 HA ALA A 122 3.720 10.816 -19.297 1.00 0.00 H new ATOM 0 HB1 ALA A 122 3.293 12.277 -17.327 1.00 0.00 H new ATOM 0 HB2 ALA A 122 2.928 10.577 -16.949 1.00 0.00 H new ATOM 0 HB3 ALA A 122 4.440 11.313 -16.368 1.00 0.00 H new ATOM 2011 N LYS A 132 9.062 9.909 -20.092 1.00 0.00 N ATOM 2012 CA LYS A 132 9.899 9.185 -19.149 1.00 0.00 C ATOM 2013 C LYS A 132 9.034 8.363 -18.226 1.00 0.00 C ATOM 2014 O LYS A 132 7.817 8.533 -18.250 1.00 0.00 O ATOM 2015 CB LYS A 132 10.780 10.179 -18.406 1.00 0.00 C ATOM 2016 CG LYS A 132 10.027 11.431 -17.919 1.00 0.00 C ATOM 2017 CD LYS A 132 11.032 12.523 -17.573 1.00 0.00 C ATOM 2018 CE LYS A 132 10.885 13.735 -18.516 1.00 0.00 C ATOM 2019 NZ LYS A 132 11.615 13.472 -19.770 1.00 0.00 N ATOM 0 HA LYS A 132 10.555 8.487 -19.669 1.00 0.00 H new ATOM 0 HB2 LYS A 132 11.231 9.681 -17.548 1.00 0.00 H new ATOM 0 HB3 LYS A 132 11.595 10.488 -19.060 1.00 0.00 H new ATOM 0 HG2 LYS A 132 9.344 11.782 -18.692 1.00 0.00 H new ATOM 0 HG3 LYS A 132 9.422 11.188 -17.046 1.00 0.00 H new ATOM 0 HD2 LYS A 132 10.886 12.842 -16.541 1.00 0.00 H new ATOM 0 HD3 LYS A 132 12.044 12.125 -17.643 1.00 0.00 H new ATOM 0 HE2 LYS A 132 9.832 13.919 -18.727 1.00 0.00 H new ATOM 0 HE3 LYS A 132 11.276 14.632 -18.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 132 11.517 14.288 -20.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 132 12.622 13.316 -19.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 132 11.222 12.626 -20.229 1.00 0.00 H new ATOM 2033 N LEU A 133 9.655 7.469 -17.471 1.00 0.00 N ATOM 2034 CA LEU A 133 8.950 6.651 -16.495 1.00 0.00 C ATOM 2035 C LEU A 133 8.821 7.449 -15.202 1.00 0.00 C ATOM 2036 O LEU A 133 9.735 8.208 -14.872 1.00 0.00 O ATOM 2037 CB LEU A 133 9.736 5.346 -16.304 1.00 0.00 C ATOM 2038 CG LEU A 133 8.839 4.181 -15.854 1.00 0.00 C ATOM 2039 CD1 LEU A 133 7.885 3.756 -16.956 1.00 0.00 C ATOM 2040 CD2 LEU A 133 9.727 3.013 -15.469 1.00 0.00 C ATOM 0 H LEU A 133 10.658 7.290 -17.517 1.00 0.00 H new ATOM 0 HA LEU A 133 7.945 6.392 -16.828 1.00 0.00 H new ATOM 0 HB2 LEU A 133 10.228 5.081 -17.240 1.00 0.00 H new ATOM 0 HB3 LEU A 133 10.521 5.503 -15.564 1.00 0.00 H new ATOM 0 HG LEU A 133 8.238 4.506 -15.004 1.00 0.00 H new ATOM 0 HD11 LEU A 133 7.266 2.931 -16.603 1.00 0.00 H new ATOM 0 HD12 LEU A 133 7.247 4.597 -17.229 1.00 0.00 H new ATOM 0 HD13 LEU A 133 8.456 3.435 -17.828 1.00 0.00 H new ATOM 0 HD21 LEU A 133 9.108 2.176 -15.147 1.00 0.00 H new ATOM 0 HD22 LEU A 133 10.325 2.712 -16.329 1.00 0.00 H new ATOM 0 HD23 LEU A 133 10.387 3.311 -14.654 1.00 0.00 H new ATOM 2052 N CYS A 134 7.666 7.312 -14.549 1.00 0.00 N ATOM 2053 CA CYS A 134 7.399 7.904 -13.253 1.00 0.00 C ATOM 2054 C CYS A 134 8.386 7.371 -12.212 1.00 0.00 C ATOM 2055 O CYS A 134 9.182 6.454 -12.440 1.00 0.00 O ATOM 2056 CB CYS A 134 5.967 7.554 -12.814 1.00 0.00 C ATOM 2057 SG CYS A 134 4.623 8.103 -13.851 1.00 0.00 S ATOM 0 H CYS A 134 6.881 6.776 -14.919 1.00 0.00 H new ATOM 0 HA CYS A 134 7.511 8.985 -13.332 1.00 0.00 H new ATOM 0 HB2 CYS A 134 5.900 6.470 -12.724 1.00 0.00 H new ATOM 0 HB3 CYS A 134 5.812 7.967 -11.817 1.00 0.00 H new ATOM 2062 N SER A 135 8.218 7.841 -10.996 1.00 0.00 N ATOM 2063 CA SER A 135 9.146 7.445 -9.955 1.00 0.00 C ATOM 2064 C SER A 135 8.393 7.701 -8.680 1.00 0.00 C ATOM 2065 O SER A 135 8.433 8.813 -8.188 1.00 0.00 O ATOM 2066 CB SER A 135 10.439 8.300 -9.996 1.00 0.00 C ATOM 2067 OG SER A 135 11.085 8.434 -11.250 1.00 0.00 O ATOM 0 H SER A 135 7.475 8.477 -10.707 1.00 0.00 H new ATOM 0 HA SER A 135 9.466 6.409 -10.063 1.00 0.00 H new ATOM 0 HB2 SER A 135 10.196 9.298 -9.632 1.00 0.00 H new ATOM 0 HB3 SER A 135 11.152 7.869 -9.293 1.00 0.00 H new ATOM 0 HG SER A 135 11.883 8.994 -11.149 1.00 0.00 H new ATOM 2073 N HIS A 136 7.620 6.714 -8.224 1.00 0.00 N ATOM 2074 CA HIS A 136 7.028 6.701 -6.884 1.00 0.00 C ATOM 2075 C HIS A 136 7.900 7.332 -5.790 1.00 0.00 C ATOM 2076 O HIS A 136 9.109 6.991 -5.839 1.00 0.00 O ATOM 2077 CB HIS A 136 6.646 5.255 -6.495 1.00 0.00 C ATOM 2078 CG HIS A 136 7.627 4.172 -6.906 1.00 0.00 C ATOM 2079 ND1 HIS A 136 7.398 2.837 -7.051 1.00 0.00 N flip ATOM 2080 CD2 HIS A 136 8.933 4.387 -7.268 1.00 0.00 C flip ATOM 2081 CE1 HIS A 136 8.535 2.232 -7.539 1.00 0.00 C flip ATOM 2082 NE2 HIS A 136 9.453 3.211 -7.699 1.00 0.00 N flip ATOM 2083 OXT HIS A 136 7.271 7.958 -4.907 1.00 0.00 O ATOM 0 H HIS A 136 7.384 5.892 -8.780 1.00 0.00 H new ATOM 0 HA HIS A 136 6.141 7.332 -6.945 1.00 0.00 H new ATOM 0 HB2 HIS A 136 6.521 5.212 -5.413 1.00 0.00 H new ATOM 0 HB3 HIS A 136 5.676 5.025 -6.937 1.00 0.00 H new ATOM 0 HD2 HIS A 136 9.457 5.330 -7.218 1.00 0.00 H new ATOM 0 HE1 HIS A 136 8.667 1.181 -7.752 1.00 0.00 H new ATOM 0 HE2 HIS A 136 10.389 3.085 -8.083 1.00 0.00 H new