USER MOD reduce.3.24.130724 H: found=0, std=0, add=720, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 723 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 NoAdj-H: A 41 HIS HD1 : A 41 HIS ND1 : A 131 ZNZN :(H bumps) USER MOD NoAdj-H: A 91 HIS HD1 : A 91 HIS ND1 : A 132 ZNZN :(H bumps) USER MOD NoAdj-H: A 95 HIS HE2 : A 95 HIS NE2 : A 133 ZNZN :(H bumps) USER MOD NoAdj-H: A 101 HIS HD1 : A 101 HIS ND1 : A 133 ZNZN :(H bumps) USER MOD Set 1.1: A 106 ASN : amide:sc= -2.34 K(o=-2.5,f=-11!) USER MOD Set 1.2: A 109 THR OG1 : rot 180:sc= -0.138 USER MOD Set 2.1: A 96 SER OG : rot 54:sc= -0.0358 USER MOD Set 2.2: A 97 GLN : amide:sc= -6.51! C(o=-6.6!,f=-9.8!) USER MOD Set 3.1: A 93 THR OG1 : rot -5:sc= -0.795 USER MOD Set 3.2: A 115 TYR OH : rot 180:sc= -0.537 USER MOD Set 4.1: A 92 SER OG : rot 80:sc= 1.02 USER MOD Set 4.2: A 104 THR OG1 : rot 172:sc= 0.0355 USER MOD Set 5.1: A 70 ASN : amide:sc= -0.1 K(o=-1.7,f=-3.8) USER MOD Set 5.2: A 108 THR OG1 : rot 129:sc= -1.64! USER MOD Single : A 37 ASN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 38 HIS : no HD1:sc= -3.72 K(o=-3.7,f=-2.8!) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 100:sc=-0.00628 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 GLN : amide:sc= -0.102 K(o=-0.1,f=-0.76) USER MOD Single : A 56 LYS NZ :NH3+ -120:sc= -1.61 (180deg=-4.68!) USER MOD Single : A 57 SER OG : rot -44:sc= 1.26 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 GLN : amide:sc= -3.78! C(o=-3.8!,f=-7.8!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 GLN : amide:sc= -0.0398 X(o=-0.04,f=0) USER MOD Single : A 77 ASN : amide:sc= -0.192 K(o=-0.19,f=-1) USER MOD Single : A 80 SER OG : rot -129:sc= 0.548 USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 GLN : amide:sc= -4.07! C(o=-4.1!,f=-4.8!) USER MOD Single : A 99 THR OG1 : rot 157:sc= 0.0921 USER MOD Single : A 100 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00538) USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 126 LYS NZ :NH3+ -166:sc=-0.000698 (180deg=-0.0604) USER MOD Single : A 129 THR OG1 : rot 180:sc= -0.0162 USER MOD Single : A 130 GLN : amide:sc= -0.216 X(o=-0.22,f=-0.022) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 36 24.903 -0.497 3.847 1.00 0.00 N ATOM 2 CA ARG A 36 23.441 -0.757 3.896 1.00 0.00 C ATOM 3 C ARG A 36 22.818 -0.175 5.161 1.00 0.00 C ATOM 4 O ARG A 36 22.977 -0.724 6.251 1.00 0.00 O ATOM 5 CB ARG A 36 23.213 -2.271 3.838 1.00 0.00 C ATOM 6 CG ARG A 36 22.526 -2.734 2.564 1.00 0.00 C ATOM 7 CD ARG A 36 22.924 -4.155 2.201 1.00 0.00 C ATOM 8 NE ARG A 36 22.430 -5.127 3.171 1.00 0.00 N ATOM 9 CZ ARG A 36 22.685 -6.432 3.110 1.00 0.00 C ATOM 10 NH1 ARG A 36 23.430 -6.924 2.128 1.00 0.00 N ATOM 11 NH2 ARG A 36 22.196 -7.248 4.035 1.00 0.00 N ATOM 0 HA ARG A 36 22.962 -0.273 3.045 1.00 0.00 H new ATOM 0 HB2 ARG A 36 24.173 -2.778 3.928 1.00 0.00 H new ATOM 0 HB3 ARG A 36 22.612 -2.573 4.696 1.00 0.00 H new ATOM 0 HG2 ARG A 36 21.445 -2.679 2.692 1.00 0.00 H new ATOM 0 HG3 ARG A 36 22.784 -2.062 1.745 1.00 0.00 H new ATOM 0 HD2 ARG A 36 22.534 -4.399 1.213 1.00 0.00 H new ATOM 0 HD3 ARG A 36 24.010 -4.223 2.141 1.00 0.00 H new ATOM 0 HE ARG A 36 21.855 -4.786 3.942 1.00 0.00 H new ATOM 0 HH11 ARG A 36 23.810 -6.301 1.415 1.00 0.00 H new ATOM 0 HH12 ARG A 36 23.622 -7.925 2.086 1.00 0.00 H new ATOM 0 HH21 ARG A 36 21.624 -6.875 4.793 1.00 0.00 H new ATOM 0 HH22 ARG A 36 22.392 -8.248 3.988 1.00 0.00 H new ATOM 27 N ASN A 37 22.108 0.937 5.007 1.00 0.00 N ATOM 28 CA ASN A 37 21.460 1.593 6.137 1.00 0.00 C ATOM 29 C ASN A 37 19.953 1.363 6.108 1.00 0.00 C ATOM 30 O ASN A 37 19.400 0.697 6.983 1.00 0.00 O ATOM 31 CB ASN A 37 21.760 3.094 6.123 1.00 0.00 C ATOM 32 CG ASN A 37 21.927 3.663 7.519 1.00 0.00 C ATOM 33 OD1 ASN A 37 21.151 3.356 8.424 1.00 0.00 O ATOM 34 ND2 ASN A 37 22.943 4.499 7.699 1.00 0.00 N ATOM 0 H ASN A 37 21.966 1.403 4.111 1.00 0.00 H new ATOM 0 HA ASN A 37 21.858 1.159 7.054 1.00 0.00 H new ATOM 0 HB2 ASN A 37 22.669 3.275 5.549 1.00 0.00 H new ATOM 0 HB3 ASN A 37 20.951 3.619 5.614 1.00 0.00 H new ATOM 0 HD21 ASN A 37 23.105 4.915 8.616 1.00 0.00 H new ATOM 0 HD22 ASN A 37 23.561 4.725 6.920 1.00 0.00 H new ATOM 41 N HIS A 38 19.294 1.918 5.096 1.00 0.00 N ATOM 42 CA HIS A 38 17.850 1.772 4.953 1.00 0.00 C ATOM 43 C HIS A 38 17.510 0.599 4.040 1.00 0.00 C ATOM 44 O HIS A 38 18.399 -0.086 3.535 1.00 0.00 O ATOM 45 CB HIS A 38 17.240 3.061 4.399 1.00 0.00 C ATOM 46 CG HIS A 38 15.858 3.336 4.908 1.00 0.00 C ATOM 47 ND1 HIS A 38 15.001 4.237 4.312 1.00 0.00 N ATOM 48 CD2 HIS A 38 15.183 2.820 5.963 1.00 0.00 C ATOM 49 CE1 HIS A 38 13.861 4.265 4.978 1.00 0.00 C ATOM 50 NE2 HIS A 38 13.946 3.414 5.984 1.00 0.00 N ATOM 0 H HIS A 38 19.737 2.473 4.363 1.00 0.00 H new ATOM 0 HA HIS A 38 17.429 1.574 5.939 1.00 0.00 H new ATOM 0 HB2 HIS A 38 17.887 3.900 4.657 1.00 0.00 H new ATOM 0 HB3 HIS A 38 17.213 3.002 3.311 1.00 0.00 H new ATOM 0 HD2 HIS A 38 15.550 2.079 6.658 1.00 0.00 H new ATOM 0 HE1 HIS A 38 13.005 4.879 4.740 1.00 0.00 H new ATOM 0 HE2 HIS A 38 13.211 3.228 6.666 1.00 0.00 H new ATOM 59 N CYS A 39 16.216 0.372 3.832 1.00 0.00 N ATOM 60 CA CYS A 39 15.760 -0.719 2.981 1.00 0.00 C ATOM 61 C CYS A 39 15.750 -0.290 1.508 1.00 0.00 C ATOM 62 O CYS A 39 15.270 0.794 1.168 1.00 0.00 O ATOM 63 CB CYS A 39 14.366 -1.185 3.432 1.00 0.00 C ATOM 64 SG CYS A 39 13.285 -1.768 2.103 1.00 0.00 S ATOM 0 H CYS A 39 15.466 0.929 4.241 1.00 0.00 H new ATOM 0 HA CYS A 39 16.452 -1.556 3.076 1.00 0.00 H new ATOM 0 HB2 CYS A 39 14.486 -1.987 4.160 1.00 0.00 H new ATOM 0 HB3 CYS A 39 13.872 -0.360 3.945 1.00 0.00 H new ATOM 69 N PRO A 40 16.289 -1.140 0.612 1.00 0.00 N ATOM 70 CA PRO A 40 16.353 -0.846 -0.827 1.00 0.00 C ATOM 71 C PRO A 40 14.979 -0.809 -1.493 1.00 0.00 C ATOM 72 O PRO A 40 14.686 0.094 -2.277 1.00 0.00 O ATOM 73 CB PRO A 40 17.179 -2.006 -1.392 1.00 0.00 C ATOM 74 CG PRO A 40 17.003 -3.112 -0.410 1.00 0.00 C ATOM 75 CD PRO A 40 16.887 -2.450 0.932 1.00 0.00 C ATOM 0 HA PRO A 40 16.780 0.140 -1.011 1.00 0.00 H new ATOM 0 HB2 PRO A 40 16.828 -2.296 -2.382 1.00 0.00 H new ATOM 0 HB3 PRO A 40 18.229 -1.731 -1.494 1.00 0.00 H new ATOM 0 HG2 PRO A 40 16.112 -3.698 -0.636 1.00 0.00 H new ATOM 0 HG3 PRO A 40 17.850 -3.797 -0.436 1.00 0.00 H new ATOM 0 HD2 PRO A 40 16.257 -3.025 1.611 1.00 0.00 H new ATOM 0 HD3 PRO A 40 17.859 -2.342 1.413 1.00 0.00 H new ATOM 83 N HIS A 41 14.145 -1.798 -1.188 1.00 0.00 N ATOM 84 CA HIS A 41 12.808 -1.887 -1.767 1.00 0.00 C ATOM 85 C HIS A 41 12.082 -0.541 -1.711 1.00 0.00 C ATOM 86 O HIS A 41 11.634 -0.025 -2.734 1.00 0.00 O ATOM 87 CB HIS A 41 11.993 -2.959 -1.040 1.00 0.00 C ATOM 88 CG HIS A 41 12.760 -4.223 -0.785 1.00 0.00 C ATOM 89 ND1 HIS A 41 13.177 -4.566 0.479 1.00 0.00 N ATOM 90 CD2 HIS A 41 13.165 -5.176 -1.658 1.00 0.00 C ATOM 91 CE1 HIS A 41 13.824 -5.710 0.349 1.00 0.00 C ATOM 92 NE2 HIS A 41 13.842 -6.120 -0.928 1.00 0.00 N ATOM 0 H HIS A 41 14.372 -2.552 -0.540 1.00 0.00 H new ATOM 0 HA HIS A 41 12.913 -2.164 -2.816 1.00 0.00 H new ATOM 0 HB2 HIS A 41 11.645 -2.557 -0.089 1.00 0.00 H new ATOM 0 HB3 HIS A 41 11.107 -3.194 -1.630 1.00 0.00 H new ATOM 0 HD2 HIS A 41 12.989 -5.190 -2.723 1.00 0.00 H new ATOM 0 HE1 HIS A 41 14.281 -6.247 1.167 1.00 0.00 H new ATOM 0 HE2 HIS A 41 14.276 -6.970 -1.287 1.00 0.00 H new ATOM 100 N LEU A 42 11.978 0.024 -0.513 1.00 0.00 N ATOM 101 CA LEU A 42 11.317 1.310 -0.325 1.00 0.00 C ATOM 102 C LEU A 42 12.198 2.453 -0.822 1.00 0.00 C ATOM 103 O LEU A 42 11.700 3.464 -1.316 1.00 0.00 O ATOM 104 CB LEU A 42 10.973 1.519 1.151 1.00 0.00 C ATOM 105 CG LEU A 42 12.168 1.503 2.105 1.00 0.00 C ATOM 106 CD1 LEU A 42 12.743 2.903 2.263 1.00 0.00 C ATOM 107 CD2 LEU A 42 11.762 0.935 3.457 1.00 0.00 C ATOM 0 H LEU A 42 12.344 -0.390 0.344 1.00 0.00 H new ATOM 0 HA LEU A 42 10.396 1.306 -0.908 1.00 0.00 H new ATOM 0 HB2 LEU A 42 10.457 2.473 1.256 1.00 0.00 H new ATOM 0 HB3 LEU A 42 10.272 0.742 1.458 1.00 0.00 H new ATOM 0 HG LEU A 42 12.940 0.861 1.681 1.00 0.00 H new ATOM 0 HD11 LEU A 42 13.593 2.873 2.945 1.00 0.00 H new ATOM 0 HD12 LEU A 42 13.071 3.273 1.292 1.00 0.00 H new ATOM 0 HD13 LEU A 42 11.978 3.567 2.665 1.00 0.00 H new ATOM 0 HD21 LEU A 42 12.624 0.931 4.124 1.00 0.00 H new ATOM 0 HD22 LEU A 42 10.973 1.551 3.888 1.00 0.00 H new ATOM 0 HD23 LEU A 42 11.398 -0.084 3.329 1.00 0.00 H new ATOM 119 N ASP A 43 13.511 2.288 -0.690 1.00 0.00 N ATOM 120 CA ASP A 43 14.454 3.310 -1.130 1.00 0.00 C ATOM 121 C ASP A 43 14.272 3.628 -2.614 1.00 0.00 C ATOM 122 O ASP A 43 14.666 4.696 -3.080 1.00 0.00 O ATOM 123 CB ASP A 43 15.891 2.856 -0.865 1.00 0.00 C ATOM 124 CG ASP A 43 16.485 3.507 0.369 1.00 0.00 C ATOM 125 OD1 ASP A 43 16.186 4.695 0.615 1.00 0.00 O ATOM 126 OD2 ASP A 43 17.249 2.830 1.088 1.00 0.00 O ATOM 0 H ASP A 43 13.945 1.459 -0.283 1.00 0.00 H new ATOM 0 HA ASP A 43 14.255 4.217 -0.560 1.00 0.00 H new ATOM 0 HB2 ASP A 43 15.911 1.773 -0.746 1.00 0.00 H new ATOM 0 HB3 ASP A 43 16.509 3.093 -1.731 1.00 0.00 H new ATOM 131 N SER A 44 13.681 2.692 -3.353 1.00 0.00 N ATOM 132 CA SER A 44 13.460 2.876 -4.785 1.00 0.00 C ATOM 133 C SER A 44 12.143 3.598 -5.057 1.00 0.00 C ATOM 134 O SER A 44 12.078 4.491 -5.901 1.00 0.00 O ATOM 135 CB SER A 44 13.468 1.523 -5.499 1.00 0.00 C ATOM 136 OG SER A 44 13.652 1.685 -6.895 1.00 0.00 O ATOM 0 H SER A 44 13.347 1.801 -2.985 1.00 0.00 H new ATOM 0 HA SER A 44 14.271 3.493 -5.170 1.00 0.00 H new ATOM 0 HB2 SER A 44 14.265 0.899 -5.094 1.00 0.00 H new ATOM 0 HB3 SER A 44 12.529 1.003 -5.311 1.00 0.00 H new ATOM 0 HG SER A 44 13.655 0.806 -7.329 1.00 0.00 H new ATOM 142 N VAL A 45 11.092 3.205 -4.342 1.00 0.00 N ATOM 143 CA VAL A 45 9.780 3.820 -4.519 1.00 0.00 C ATOM 144 C VAL A 45 9.725 5.201 -3.875 1.00 0.00 C ATOM 145 O VAL A 45 10.198 5.395 -2.755 1.00 0.00 O ATOM 146 CB VAL A 45 8.659 2.942 -3.928 1.00 0.00 C ATOM 147 CG1 VAL A 45 8.604 1.597 -4.635 1.00 0.00 C ATOM 148 CG2 VAL A 45 8.851 2.755 -2.431 1.00 0.00 C ATOM 0 H VAL A 45 11.123 2.467 -3.638 1.00 0.00 H new ATOM 0 HA VAL A 45 9.623 3.919 -5.593 1.00 0.00 H new ATOM 0 HB VAL A 45 7.708 3.451 -4.086 1.00 0.00 H new ATOM 0 HG11 VAL A 45 7.807 0.992 -4.204 1.00 0.00 H new ATOM 0 HG12 VAL A 45 8.409 1.751 -5.696 1.00 0.00 H new ATOM 0 HG13 VAL A 45 9.557 1.082 -4.513 1.00 0.00 H new ATOM 0 HG21 VAL A 45 8.048 2.132 -2.036 1.00 0.00 H new ATOM 0 HG22 VAL A 45 9.810 2.272 -2.245 1.00 0.00 H new ATOM 0 HG23 VAL A 45 8.832 3.727 -1.938 1.00 0.00 H new ATOM 158 N GLY A 46 9.145 6.159 -4.593 1.00 0.00 N ATOM 159 CA GLY A 46 9.038 7.511 -4.079 1.00 0.00 C ATOM 160 C GLY A 46 8.004 7.635 -2.977 1.00 0.00 C ATOM 161 O GLY A 46 8.077 6.934 -1.968 1.00 0.00 O ATOM 0 H GLY A 46 8.747 6.022 -5.522 1.00 0.00 H new ATOM 0 HA2 GLY A 46 10.009 7.829 -3.699 1.00 0.00 H new ATOM 0 HA3 GLY A 46 8.778 8.186 -4.894 1.00 0.00 H new ATOM 165 N GLU A 47 7.040 8.530 -3.170 1.00 0.00 N ATOM 166 CA GLU A 47 5.990 8.743 -2.182 1.00 0.00 C ATOM 167 C GLU A 47 4.639 8.962 -2.856 1.00 0.00 C ATOM 168 O GLU A 47 4.567 9.234 -4.055 1.00 0.00 O ATOM 169 CB GLU A 47 6.330 9.944 -1.296 1.00 0.00 C ATOM 170 CG GLU A 47 5.932 9.759 0.159 1.00 0.00 C ATOM 171 CD GLU A 47 6.689 8.631 0.831 1.00 0.00 C ATOM 172 OE1 GLU A 47 7.759 8.899 1.417 1.00 0.00 O ATOM 173 OE2 GLU A 47 6.211 7.478 0.771 1.00 0.00 O ATOM 0 H GLU A 47 6.965 9.118 -4.000 1.00 0.00 H new ATOM 0 HA GLU A 47 5.925 7.848 -1.563 1.00 0.00 H new ATOM 0 HB2 GLU A 47 7.402 10.132 -1.349 1.00 0.00 H new ATOM 0 HB3 GLU A 47 5.831 10.829 -1.691 1.00 0.00 H new ATOM 0 HG2 GLU A 47 6.112 10.687 0.702 1.00 0.00 H new ATOM 0 HG3 GLU A 47 4.862 9.559 0.217 1.00 0.00 H new ATOM 180 N ILE A 48 3.570 8.840 -2.075 1.00 0.00 N ATOM 181 CA ILE A 48 2.217 9.025 -2.589 1.00 0.00 C ATOM 182 C ILE A 48 1.696 10.420 -2.258 1.00 0.00 C ATOM 183 O ILE A 48 1.913 10.930 -1.160 1.00 0.00 O ATOM 184 CB ILE A 48 1.254 7.965 -2.014 1.00 0.00 C ATOM 185 CG1 ILE A 48 -0.095 8.020 -2.735 1.00 0.00 C ATOM 186 CG2 ILE A 48 1.074 8.162 -0.515 1.00 0.00 C ATOM 187 CD1 ILE A 48 -0.449 6.732 -3.447 1.00 0.00 C ATOM 0 H ILE A 48 3.615 8.613 -1.082 1.00 0.00 H new ATOM 0 HA ILE A 48 2.261 8.909 -3.672 1.00 0.00 H new ATOM 0 HB ILE A 48 1.689 6.979 -2.177 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -0.876 8.253 -2.011 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -0.078 8.834 -3.459 1.00 0.00 H new ATOM 0 HG21 ILE A 48 0.392 7.405 -0.128 1.00 0.00 H new ATOM 0 HG22 ILE A 48 2.039 8.069 -0.017 1.00 0.00 H new ATOM 0 HG23 ILE A 48 0.662 9.153 -0.325 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -1.417 6.841 -3.936 1.00 0.00 H new ATOM 0 HD12 ILE A 48 0.312 6.508 -4.194 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -0.498 5.918 -2.724 1.00 0.00 H new ATOM 199 N THR A 49 1.012 11.034 -3.218 1.00 0.00 N ATOM 200 CA THR A 49 0.467 12.373 -3.027 1.00 0.00 C ATOM 201 C THR A 49 -0.792 12.337 -2.168 1.00 0.00 C ATOM 202 O THR A 49 -1.442 11.297 -2.036 1.00 0.00 O ATOM 203 CB THR A 49 0.157 13.015 -4.379 1.00 0.00 C ATOM 204 OG1 THR A 49 -0.484 12.090 -5.240 1.00 0.00 O ATOM 205 CG2 THR A 49 1.388 13.529 -5.095 1.00 0.00 C ATOM 0 H THR A 49 0.822 10.627 -4.134 1.00 0.00 H new ATOM 0 HA THR A 49 1.217 12.971 -2.509 1.00 0.00 H new ATOM 0 HB THR A 49 -0.493 13.861 -4.153 1.00 0.00 H new ATOM 0 HG1 THR A 49 -1.450 12.255 -5.236 1.00 0.00 H new ATOM 0 HG21 THR A 49 1.097 13.972 -6.047 1.00 0.00 H new ATOM 0 HG22 THR A 49 1.879 14.283 -4.479 1.00 0.00 H new ATOM 0 HG23 THR A 49 2.076 12.703 -5.275 1.00 0.00 H new ATOM 213 N LYS A 50 -1.134 13.483 -1.589 1.00 0.00 N ATOM 214 CA LYS A 50 -2.316 13.591 -0.745 1.00 0.00 C ATOM 215 C LYS A 50 -3.578 13.301 -1.549 1.00 0.00 C ATOM 216 O LYS A 50 -4.476 12.600 -1.083 1.00 0.00 O ATOM 217 CB LYS A 50 -2.401 14.985 -0.122 1.00 0.00 C ATOM 218 CG LYS A 50 -3.210 15.031 1.164 1.00 0.00 C ATOM 219 CD LYS A 50 -2.318 14.893 2.387 1.00 0.00 C ATOM 220 CE LYS A 50 -2.786 15.790 3.521 1.00 0.00 C ATOM 221 NZ LYS A 50 -2.098 15.471 4.803 1.00 0.00 N ATOM 0 H LYS A 50 -0.608 14.351 -1.690 1.00 0.00 H new ATOM 0 HA LYS A 50 -2.234 12.853 0.053 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -1.392 15.345 0.081 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -2.845 15.670 -0.845 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -3.759 15.971 1.217 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -3.949 14.230 1.159 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -2.314 13.855 2.720 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -1.292 15.146 2.121 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -2.601 16.832 3.259 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -3.863 15.680 3.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -2.445 16.105 5.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -2.295 14.484 5.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -1.073 15.601 4.688 1.00 0.00 H new ATOM 235 N GLU A 51 -3.637 13.844 -2.760 1.00 0.00 N ATOM 236 CA GLU A 51 -4.788 13.642 -3.630 1.00 0.00 C ATOM 237 C GLU A 51 -5.005 12.159 -3.906 1.00 0.00 C ATOM 238 O GLU A 51 -6.138 11.707 -4.063 1.00 0.00 O ATOM 239 CB GLU A 51 -4.597 14.395 -4.949 1.00 0.00 C ATOM 240 CG GLU A 51 -4.483 15.901 -4.780 1.00 0.00 C ATOM 241 CD GLU A 51 -4.332 16.626 -6.102 1.00 0.00 C ATOM 242 OE1 GLU A 51 -4.899 17.730 -6.242 1.00 0.00 O ATOM 243 OE2 GLU A 51 -3.646 16.090 -6.999 1.00 0.00 O ATOM 0 H GLU A 51 -2.902 14.427 -3.160 1.00 0.00 H new ATOM 0 HA GLU A 51 -5.669 14.033 -3.122 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -3.698 14.024 -5.442 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -5.437 14.174 -5.608 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -5.369 16.273 -4.265 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -3.626 16.128 -4.145 1.00 0.00 H new ATOM 250 N ASP A 52 -3.910 11.405 -3.959 1.00 0.00 N ATOM 251 CA ASP A 52 -3.989 9.974 -4.209 1.00 0.00 C ATOM 252 C ASP A 52 -4.541 9.242 -2.992 1.00 0.00 C ATOM 253 O ASP A 52 -5.470 8.443 -3.107 1.00 0.00 O ATOM 254 CB ASP A 52 -2.609 9.421 -4.570 1.00 0.00 C ATOM 255 CG ASP A 52 -2.282 9.597 -6.040 1.00 0.00 C ATOM 256 OD1 ASP A 52 -2.356 10.743 -6.531 1.00 0.00 O ATOM 257 OD2 ASP A 52 -1.951 8.589 -6.700 1.00 0.00 O ATOM 0 H ASP A 52 -2.963 11.762 -3.832 1.00 0.00 H new ATOM 0 HA ASP A 52 -4.667 9.812 -5.047 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -1.851 9.923 -3.969 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -2.567 8.362 -4.316 1.00 0.00 H new ATOM 262 N LEU A 53 -3.963 9.519 -1.826 1.00 0.00 N ATOM 263 CA LEU A 53 -4.400 8.881 -0.587 1.00 0.00 C ATOM 264 C LEU A 53 -5.837 9.263 -0.247 1.00 0.00 C ATOM 265 O LEU A 53 -6.574 8.472 0.341 1.00 0.00 O ATOM 266 CB LEU A 53 -3.472 9.264 0.570 1.00 0.00 C ATOM 267 CG LEU A 53 -2.017 8.814 0.417 1.00 0.00 C ATOM 268 CD1 LEU A 53 -1.181 9.311 1.587 1.00 0.00 C ATOM 269 CD2 LEU A 53 -1.932 7.298 0.306 1.00 0.00 C ATOM 0 H LEU A 53 -3.193 10.179 -1.713 1.00 0.00 H new ATOM 0 HA LEU A 53 -4.357 7.802 -0.737 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -3.490 10.348 0.685 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -3.872 8.839 1.491 1.00 0.00 H new ATOM 0 HG LEU A 53 -1.619 9.247 -0.501 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -0.149 8.982 1.463 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -1.213 10.400 1.621 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -1.581 8.907 2.517 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -0.889 6.999 0.198 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -2.349 6.843 1.205 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -2.497 6.965 -0.564 1.00 0.00 H new ATOM 281 N ILE A 54 -6.232 10.478 -0.617 1.00 0.00 N ATOM 282 CA ILE A 54 -7.583 10.958 -0.347 1.00 0.00 C ATOM 283 C ILE A 54 -8.631 9.984 -0.888 1.00 0.00 C ATOM 284 O ILE A 54 -9.611 9.676 -0.210 1.00 0.00 O ATOM 285 CB ILE A 54 -7.808 12.363 -0.954 1.00 0.00 C ATOM 286 CG1 ILE A 54 -7.063 13.418 -0.132 1.00 0.00 C ATOM 287 CG2 ILE A 54 -9.292 12.703 -1.022 1.00 0.00 C ATOM 288 CD1 ILE A 54 -6.669 14.641 -0.930 1.00 0.00 C ATOM 0 H ILE A 54 -5.636 11.147 -1.104 1.00 0.00 H new ATOM 0 HA ILE A 54 -7.694 11.025 0.735 1.00 0.00 H new ATOM 0 HB ILE A 54 -7.415 12.358 -1.971 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -7.692 13.727 0.703 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -6.166 12.968 0.294 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -9.418 13.696 -1.453 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -9.805 11.970 -1.644 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -9.715 12.687 -0.018 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -6.146 15.345 -0.283 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -6.014 14.345 -1.749 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -7.563 15.116 -1.334 1.00 0.00 H new ATOM 300 N GLN A 55 -8.416 9.501 -2.107 1.00 0.00 N ATOM 301 CA GLN A 55 -9.343 8.561 -2.728 1.00 0.00 C ATOM 302 C GLN A 55 -9.306 7.219 -2.011 1.00 0.00 C ATOM 303 O GLN A 55 -10.341 6.590 -1.795 1.00 0.00 O ATOM 304 CB GLN A 55 -9.006 8.380 -4.210 1.00 0.00 C ATOM 305 CG GLN A 55 -10.048 8.966 -5.147 1.00 0.00 C ATOM 306 CD GLN A 55 -10.128 8.223 -6.467 1.00 0.00 C ATOM 307 OE1 GLN A 55 -10.060 6.994 -6.506 1.00 0.00 O ATOM 308 NE2 GLN A 55 -10.271 8.968 -7.556 1.00 0.00 N ATOM 0 H GLN A 55 -7.610 9.744 -2.684 1.00 0.00 H new ATOM 0 HA GLN A 55 -10.351 8.968 -2.646 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -8.042 8.847 -4.414 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -8.896 7.316 -4.422 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -11.023 8.942 -4.661 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -9.813 10.013 -5.337 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -10.323 9.984 -7.476 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -10.329 8.525 -8.473 1.00 0.00 H new ATOM 317 N LYS A 56 -8.111 6.793 -1.632 1.00 0.00 N ATOM 318 CA LYS A 56 -7.943 5.532 -0.922 1.00 0.00 C ATOM 319 C LYS A 56 -8.533 5.642 0.478 1.00 0.00 C ATOM 320 O LYS A 56 -9.043 4.667 1.032 1.00 0.00 O ATOM 321 CB LYS A 56 -6.462 5.150 -0.842 1.00 0.00 C ATOM 322 CG LYS A 56 -5.658 5.547 -2.069 1.00 0.00 C ATOM 323 CD LYS A 56 -4.385 4.727 -2.194 1.00 0.00 C ATOM 324 CE LYS A 56 -3.695 4.969 -3.528 1.00 0.00 C ATOM 325 NZ LYS A 56 -3.115 3.718 -4.092 1.00 0.00 N ATOM 0 H LYS A 56 -7.243 7.301 -1.803 1.00 0.00 H new ATOM 0 HA LYS A 56 -8.470 4.751 -1.471 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -6.022 5.621 0.037 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -6.382 4.072 -0.700 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -6.267 5.412 -2.963 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -5.405 6.606 -2.012 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -3.706 4.981 -1.380 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -4.622 3.668 -2.092 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -4.411 5.388 -4.235 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -2.905 5.709 -3.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -2.088 3.832 -4.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -3.305 2.925 -3.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -3.547 3.522 -5.018 1.00 0.00 H new ATOM 339 N SER A 57 -8.459 6.843 1.042 1.00 0.00 N ATOM 340 CA SER A 57 -8.982 7.105 2.377 1.00 0.00 C ATOM 341 C SER A 57 -10.510 7.082 2.393 1.00 0.00 C ATOM 342 O SER A 57 -11.121 7.054 3.462 1.00 0.00 O ATOM 343 CB SER A 57 -8.478 8.456 2.887 1.00 0.00 C ATOM 344 OG SER A 57 -9.260 9.520 2.374 1.00 0.00 O ATOM 0 H SER A 57 -8.039 7.655 0.591 1.00 0.00 H new ATOM 0 HA SER A 57 -8.624 6.313 3.035 1.00 0.00 H new ATOM 0 HB2 SER A 57 -8.508 8.471 3.976 1.00 0.00 H new ATOM 0 HB3 SER A 57 -7.437 8.593 2.595 1.00 0.00 H new ATOM 0 HG SER A 57 -9.424 9.374 1.419 1.00 0.00 H new ATOM 350 N LEU A 58 -11.128 7.098 1.212 1.00 0.00 N ATOM 351 CA LEU A 58 -12.585 7.084 1.125 1.00 0.00 C ATOM 352 C LEU A 58 -13.157 5.804 1.733 1.00 0.00 C ATOM 353 O LEU A 58 -14.334 5.749 2.085 1.00 0.00 O ATOM 354 CB LEU A 58 -13.032 7.215 -0.332 1.00 0.00 C ATOM 355 CG LEU A 58 -13.081 8.648 -0.868 1.00 0.00 C ATOM 356 CD1 LEU A 58 -13.422 8.652 -2.350 1.00 0.00 C ATOM 357 CD2 LEU A 58 -14.087 9.475 -0.083 1.00 0.00 C ATOM 0 H LEU A 58 -10.647 7.120 0.313 1.00 0.00 H new ATOM 0 HA LEU A 58 -12.965 7.934 1.692 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -12.356 6.632 -0.957 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -14.022 6.771 -0.434 1.00 0.00 H new ATOM 0 HG LEU A 58 -12.096 9.098 -0.743 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -13.452 9.679 -2.714 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -12.663 8.095 -2.899 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -14.395 8.185 -2.501 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -14.109 10.491 -0.477 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -15.077 9.028 -0.176 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -13.797 9.500 0.967 1.00 0.00 H new ATOM 369 N GLY A 59 -12.316 4.781 1.867 1.00 0.00 N ATOM 370 CA GLY A 59 -12.760 3.528 2.449 1.00 0.00 C ATOM 371 C GLY A 59 -13.279 2.542 1.420 1.00 0.00 C ATOM 372 O GLY A 59 -14.286 1.872 1.651 1.00 0.00 O ATOM 0 H GLY A 59 -11.337 4.799 1.583 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -11.932 3.074 2.993 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -13.546 3.731 3.177 1.00 0.00 H new ATOM 376 N THR A 60 -12.592 2.443 0.288 1.00 0.00 N ATOM 377 CA THR A 60 -12.999 1.520 -0.766 1.00 0.00 C ATOM 378 C THR A 60 -11.782 0.920 -1.466 1.00 0.00 C ATOM 379 O THR A 60 -10.810 1.619 -1.750 1.00 0.00 O ATOM 380 CB THR A 60 -13.887 2.235 -1.784 1.00 0.00 C ATOM 381 OG1 THR A 60 -13.124 3.128 -2.576 1.00 0.00 O ATOM 382 CG2 THR A 60 -15.009 3.027 -1.149 1.00 0.00 C ATOM 0 H THR A 60 -11.755 2.987 0.076 1.00 0.00 H new ATOM 0 HA THR A 60 -13.566 0.710 -0.306 1.00 0.00 H new ATOM 0 HB THR A 60 -14.324 1.443 -2.392 1.00 0.00 H new ATOM 0 HG1 THR A 60 -13.710 3.574 -3.222 1.00 0.00 H new ATOM 0 HG21 THR A 60 -15.600 3.509 -1.928 1.00 0.00 H new ATOM 0 HG22 THR A 60 -15.646 2.357 -0.572 1.00 0.00 H new ATOM 0 HG23 THR A 60 -14.590 3.787 -0.489 1.00 0.00 H new ATOM 390 N CYS A 61 -11.848 -0.378 -1.747 1.00 0.00 N ATOM 391 CA CYS A 61 -10.756 -1.071 -2.419 1.00 0.00 C ATOM 392 C CYS A 61 -10.899 -0.964 -3.934 1.00 0.00 C ATOM 393 O CYS A 61 -12.004 -1.047 -4.469 1.00 0.00 O ATOM 394 CB CYS A 61 -10.713 -2.540 -1.998 1.00 0.00 C ATOM 395 SG CYS A 61 -9.288 -3.448 -2.642 1.00 0.00 S ATOM 0 H CYS A 61 -12.647 -0.970 -1.519 1.00 0.00 H new ATOM 0 HA CYS A 61 -9.821 -0.594 -2.124 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -10.704 -2.595 -0.909 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -11.626 -3.031 -2.335 1.00 0.00 H new ATOM 400 N GLN A 62 -9.777 -0.777 -4.620 1.00 0.00 N ATOM 401 CA GLN A 62 -9.784 -0.658 -6.073 1.00 0.00 C ATOM 402 C GLN A 62 -9.943 -2.024 -6.734 1.00 0.00 C ATOM 403 O GLN A 62 -10.536 -2.141 -7.806 1.00 0.00 O ATOM 404 CB GLN A 62 -8.497 0.012 -6.557 1.00 0.00 C ATOM 405 CG GLN A 62 -8.596 1.525 -6.645 1.00 0.00 C ATOM 406 CD GLN A 62 -7.349 2.156 -7.232 1.00 0.00 C ATOM 407 OE1 GLN A 62 -6.437 1.459 -7.672 1.00 0.00 O ATOM 408 NE2 GLN A 62 -7.306 3.484 -7.239 1.00 0.00 N ATOM 0 H GLN A 62 -8.853 -0.705 -4.194 1.00 0.00 H new ATOM 0 HA GLN A 62 -10.636 -0.040 -6.356 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -7.683 -0.252 -5.881 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -8.238 -0.385 -7.539 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -9.457 1.794 -7.256 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -8.771 1.933 -5.649 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -8.087 4.022 -6.863 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -6.492 3.966 -7.621 1.00 0.00 H new ATOM 417 N ASP A 63 -9.408 -3.055 -6.087 1.00 0.00 N ATOM 418 CA ASP A 63 -9.491 -4.414 -6.614 1.00 0.00 C ATOM 419 C ASP A 63 -10.892 -4.987 -6.429 1.00 0.00 C ATOM 420 O ASP A 63 -11.510 -5.459 -7.383 1.00 0.00 O ATOM 421 CB ASP A 63 -8.464 -5.313 -5.924 1.00 0.00 C ATOM 422 CG ASP A 63 -7.042 -5.002 -6.349 1.00 0.00 C ATOM 423 OD1 ASP A 63 -6.174 -4.866 -5.462 1.00 0.00 O ATOM 424 OD2 ASP A 63 -6.798 -4.895 -7.569 1.00 0.00 O ATOM 0 H ASP A 63 -8.913 -2.976 -5.199 1.00 0.00 H new ATOM 0 HA ASP A 63 -9.273 -4.377 -7.681 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -8.551 -5.196 -4.844 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -8.688 -6.355 -6.151 1.00 0.00 H new ATOM 429 N CYS A 64 -11.387 -4.942 -5.196 1.00 0.00 N ATOM 430 CA CYS A 64 -12.715 -5.456 -4.885 1.00 0.00 C ATOM 431 C CYS A 64 -13.586 -4.369 -4.264 1.00 0.00 C ATOM 432 O CYS A 64 -13.123 -3.256 -4.011 1.00 0.00 O ATOM 433 CB CYS A 64 -12.614 -6.650 -3.934 1.00 0.00 C ATOM 434 SG CYS A 64 -11.715 -6.306 -2.403 1.00 0.00 S ATOM 0 H CYS A 64 -10.887 -4.554 -4.396 1.00 0.00 H new ATOM 0 HA CYS A 64 -13.179 -5.781 -5.816 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -13.620 -6.986 -3.683 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -12.123 -7.473 -4.453 1.00 0.00 H new ATOM 439 N LYS A 65 -14.849 -4.698 -4.020 1.00 0.00 N ATOM 440 CA LYS A 65 -15.786 -3.751 -3.428 1.00 0.00 C ATOM 441 C LYS A 65 -15.905 -3.973 -1.923 1.00 0.00 C ATOM 442 O LYS A 65 -16.827 -4.642 -1.454 1.00 0.00 O ATOM 443 CB LYS A 65 -17.160 -3.879 -4.092 1.00 0.00 C ATOM 444 CG LYS A 65 -17.619 -2.608 -4.791 1.00 0.00 C ATOM 445 CD LYS A 65 -18.784 -1.959 -4.061 1.00 0.00 C ATOM 446 CE LYS A 65 -19.099 -0.584 -4.628 1.00 0.00 C ATOM 447 NZ LYS A 65 -18.175 0.459 -4.105 1.00 0.00 N ATOM 0 H LYS A 65 -15.248 -5.614 -4.223 1.00 0.00 H new ATOM 0 HA LYS A 65 -15.405 -2.744 -3.596 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -17.129 -4.692 -4.817 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -17.896 -4.154 -3.336 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -16.789 -1.904 -4.851 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -17.914 -2.841 -5.814 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -19.665 -2.597 -4.139 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -18.547 -1.871 -3.001 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -19.032 -0.616 -5.715 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -20.126 -0.316 -4.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -18.424 1.381 -4.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -18.257 0.508 -3.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -17.197 0.218 -4.363 1.00 0.00 H new ATOM 461 N VAL A 66 -14.966 -3.408 -1.172 1.00 0.00 N ATOM 462 CA VAL A 66 -14.963 -3.543 0.280 1.00 0.00 C ATOM 463 C VAL A 66 -14.903 -2.177 0.955 1.00 0.00 C ATOM 464 O VAL A 66 -14.256 -1.255 0.456 1.00 0.00 O ATOM 465 CB VAL A 66 -13.776 -4.401 0.760 1.00 0.00 C ATOM 466 CG1 VAL A 66 -12.456 -3.778 0.332 1.00 0.00 C ATOM 467 CG2 VAL A 66 -13.821 -4.586 2.271 1.00 0.00 C ATOM 0 H VAL A 66 -14.197 -2.852 -1.545 1.00 0.00 H new ATOM 0 HA VAL A 66 -15.892 -4.040 0.558 1.00 0.00 H new ATOM 0 HB VAL A 66 -13.855 -5.384 0.295 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -11.631 -4.399 0.681 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -12.423 -3.707 -0.755 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -12.367 -2.781 0.764 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -12.974 -5.195 2.588 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -13.771 -3.612 2.758 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -14.750 -5.084 2.549 1.00 0.00 H new ATOM 477 N GLN A 67 -15.581 -2.051 2.091 1.00 0.00 N ATOM 478 CA GLN A 67 -15.604 -0.795 2.833 1.00 0.00 C ATOM 479 C GLN A 67 -14.463 -0.735 3.842 1.00 0.00 C ATOM 480 O GLN A 67 -14.077 -1.752 4.420 1.00 0.00 O ATOM 481 CB GLN A 67 -16.945 -0.627 3.550 1.00 0.00 C ATOM 482 CG GLN A 67 -17.994 0.094 2.718 1.00 0.00 C ATOM 483 CD GLN A 67 -18.758 1.133 3.516 1.00 0.00 C ATOM 484 OE1 GLN A 67 -19.970 1.025 3.699 1.00 0.00 O ATOM 485 NE2 GLN A 67 -18.050 2.149 3.996 1.00 0.00 N ATOM 0 H GLN A 67 -16.122 -2.803 2.518 1.00 0.00 H new ATOM 0 HA GLN A 67 -15.475 0.020 2.121 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -17.325 -1.610 3.826 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -16.786 -0.075 4.476 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -17.510 0.577 1.869 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -18.695 -0.635 2.313 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -17.046 2.199 3.820 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -18.510 2.879 4.540 1.00 0.00 H new ATOM 494 N GLY A 68 -13.927 0.463 4.050 1.00 0.00 N ATOM 495 CA GLY A 68 -12.834 0.637 4.990 1.00 0.00 C ATOM 496 C GLY A 68 -13.296 0.562 6.436 1.00 0.00 C ATOM 497 O GLY A 68 -14.209 -0.200 6.755 1.00 0.00 O ATOM 0 H GLY A 68 -14.230 1.318 3.584 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -12.080 -0.130 4.812 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -12.357 1.601 4.813 1.00 0.00 H new ATOM 501 N PRO A 69 -12.681 1.343 7.345 1.00 0.00 N ATOM 502 CA PRO A 69 -11.589 2.266 7.010 1.00 0.00 C ATOM 503 C PRO A 69 -10.294 1.535 6.674 1.00 0.00 C ATOM 504 O PRO A 69 -9.593 1.896 5.730 1.00 0.00 O ATOM 505 CB PRO A 69 -11.425 3.097 8.284 1.00 0.00 C ATOM 506 CG PRO A 69 -11.906 2.208 9.376 1.00 0.00 C ATOM 507 CD PRO A 69 -13.015 1.384 8.781 1.00 0.00 C ATOM 0 HA PRO A 69 -11.813 2.861 6.125 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -10.385 3.387 8.437 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -12.008 4.017 8.235 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -11.101 1.572 9.744 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -12.265 2.791 10.224 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -13.049 0.384 9.214 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -13.990 1.839 8.953 1.00 0.00 H new ATOM 515 N ASN A 70 -9.986 0.506 7.459 1.00 0.00 N ATOM 516 CA ASN A 70 -8.777 -0.291 7.257 1.00 0.00 C ATOM 517 C ASN A 70 -8.551 -0.597 5.779 1.00 0.00 C ATOM 518 O ASN A 70 -9.291 -1.373 5.175 1.00 0.00 O ATOM 519 CB ASN A 70 -8.869 -1.597 8.048 1.00 0.00 C ATOM 520 CG ASN A 70 -8.241 -1.485 9.424 1.00 0.00 C ATOM 521 OD1 ASN A 70 -7.172 -0.898 9.584 1.00 0.00 O ATOM 522 ND2 ASN A 70 -8.905 -2.051 10.425 1.00 0.00 N ATOM 0 H ASN A 70 -10.560 0.202 8.246 1.00 0.00 H new ATOM 0 HA ASN A 70 -7.930 0.293 7.616 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -9.916 -1.883 8.152 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -8.375 -2.392 7.490 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -8.531 -2.009 11.373 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -9.789 -2.528 10.246 1.00 0.00 H new ATOM 529 N LEU A 71 -7.524 0.021 5.200 1.00 0.00 N ATOM 530 CA LEU A 71 -7.210 -0.188 3.790 1.00 0.00 C ATOM 531 C LEU A 71 -5.747 0.134 3.496 1.00 0.00 C ATOM 532 O LEU A 71 -5.176 1.069 4.060 1.00 0.00 O ATOM 533 CB LEU A 71 -8.122 0.670 2.910 1.00 0.00 C ATOM 534 CG LEU A 71 -9.312 -0.071 2.297 1.00 0.00 C ATOM 535 CD1 LEU A 71 -10.217 0.898 1.553 1.00 0.00 C ATOM 536 CD2 LEU A 71 -8.832 -1.175 1.368 1.00 0.00 C ATOM 0 H LEU A 71 -6.899 0.667 5.683 1.00 0.00 H new ATOM 0 HA LEU A 71 -7.379 -1.240 3.562 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -8.499 1.502 3.505 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -7.526 1.099 2.104 1.00 0.00 H new ATOM 0 HG LEU A 71 -9.886 -0.527 3.103 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -11.058 0.354 1.123 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -10.589 1.653 2.245 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -9.654 1.383 0.756 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -9.692 -1.691 0.941 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -8.234 -0.742 0.566 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -8.225 -1.885 1.930 1.00 0.00 H new ATOM 548 N TRP A 72 -5.149 -0.649 2.602 1.00 0.00 N ATOM 549 CA TRP A 72 -3.755 -0.454 2.223 1.00 0.00 C ATOM 550 C TRP A 72 -3.649 0.172 0.836 1.00 0.00 C ATOM 551 O TRP A 72 -4.587 0.107 0.040 1.00 0.00 O ATOM 552 CB TRP A 72 -3.007 -1.788 2.251 1.00 0.00 C ATOM 553 CG TRP A 72 -2.973 -2.421 3.608 1.00 0.00 C ATOM 554 CD1 TRP A 72 -4.032 -2.933 4.302 1.00 0.00 C ATOM 555 CD2 TRP A 72 -1.821 -2.610 4.439 1.00 0.00 C ATOM 556 NE1 TRP A 72 -3.609 -3.429 5.511 1.00 0.00 N ATOM 557 CE2 TRP A 72 -2.256 -3.243 5.619 1.00 0.00 C ATOM 558 CE3 TRP A 72 -0.464 -2.307 4.297 1.00 0.00 C ATOM 559 CZ2 TRP A 72 -1.381 -3.576 6.650 1.00 0.00 C ATOM 560 CZ3 TRP A 72 0.402 -2.638 5.323 1.00 0.00 C ATOM 561 CH2 TRP A 72 -0.060 -3.268 6.485 1.00 0.00 C ATOM 0 H TRP A 72 -5.610 -1.425 2.127 1.00 0.00 H new ATOM 0 HA TRP A 72 -3.301 0.226 2.944 1.00 0.00 H new ATOM 0 HB2 TRP A 72 -3.479 -2.476 1.549 1.00 0.00 H new ATOM 0 HB3 TRP A 72 -1.985 -1.631 1.906 1.00 0.00 H new ATOM 0 HD1 TRP A 72 -5.053 -2.946 3.951 1.00 0.00 H new ATOM 0 HE1 TRP A 72 -4.205 -3.865 6.214 1.00 0.00 H new ATOM 0 HE3 TRP A 72 -0.099 -1.824 3.403 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 -1.734 -4.061 7.548 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 1.453 -2.407 5.226 1.00 0.00 H new ATOM 0 HH2 TRP A 72 0.642 -3.516 7.267 1.00 0.00 H new ATOM 572 N ALA A 73 -2.503 0.781 0.553 1.00 0.00 N ATOM 573 CA ALA A 73 -2.279 1.418 -0.738 1.00 0.00 C ATOM 574 C ALA A 73 -0.840 1.229 -1.203 1.00 0.00 C ATOM 575 O ALA A 73 0.089 1.227 -0.396 1.00 0.00 O ATOM 576 CB ALA A 73 -2.616 2.898 -0.657 1.00 0.00 C ATOM 0 H ALA A 73 -1.717 0.847 1.199 1.00 0.00 H new ATOM 0 HA ALA A 73 -2.934 0.943 -1.468 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -2.445 3.364 -1.627 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -3.662 3.018 -0.376 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -1.983 3.375 0.091 1.00 0.00 H new ATOM 582 N CYS A 74 -0.662 1.075 -2.511 1.00 0.00 N ATOM 583 CA CYS A 74 0.667 0.890 -3.082 1.00 0.00 C ATOM 584 C CYS A 74 1.546 2.105 -2.797 1.00 0.00 C ATOM 585 O CYS A 74 1.123 3.246 -2.980 1.00 0.00 O ATOM 586 CB CYS A 74 0.570 0.648 -4.590 1.00 0.00 C ATOM 587 SG CYS A 74 2.122 0.120 -5.351 1.00 0.00 S ATOM 0 H CYS A 74 -1.419 1.075 -3.194 1.00 0.00 H new ATOM 0 HA CYS A 74 1.123 0.016 -2.617 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -0.191 -0.109 -4.778 1.00 0.00 H new ATOM 0 HB3 CYS A 74 0.233 1.565 -5.074 1.00 0.00 H new ATOM 592 N LEU A 75 2.766 1.851 -2.335 1.00 0.00 N ATOM 593 CA LEU A 75 3.700 2.925 -2.010 1.00 0.00 C ATOM 594 C LEU A 75 4.473 3.394 -3.242 1.00 0.00 C ATOM 595 O LEU A 75 5.058 4.477 -3.237 1.00 0.00 O ATOM 596 CB LEU A 75 4.678 2.462 -0.930 1.00 0.00 C ATOM 597 CG LEU A 75 5.498 3.577 -0.279 1.00 0.00 C ATOM 598 CD1 LEU A 75 4.749 4.169 0.904 1.00 0.00 C ATOM 599 CD2 LEU A 75 6.858 3.052 0.156 1.00 0.00 C ATOM 0 H LEU A 75 3.132 0.912 -2.177 1.00 0.00 H new ATOM 0 HA LEU A 75 3.117 3.768 -1.639 1.00 0.00 H new ATOM 0 HB2 LEU A 75 4.118 1.942 -0.153 1.00 0.00 H new ATOM 0 HB3 LEU A 75 5.363 1.736 -1.368 1.00 0.00 H new ATOM 0 HG LEU A 75 5.653 4.366 -1.015 1.00 0.00 H new ATOM 0 HD11 LEU A 75 5.348 4.961 1.355 1.00 0.00 H new ATOM 0 HD12 LEU A 75 3.799 4.581 0.564 1.00 0.00 H new ATOM 0 HD13 LEU A 75 4.562 3.390 1.643 1.00 0.00 H new ATOM 0 HD21 LEU A 75 7.429 3.858 0.617 1.00 0.00 H new ATOM 0 HD22 LEU A 75 6.723 2.245 0.876 1.00 0.00 H new ATOM 0 HD23 LEU A 75 7.398 2.676 -0.713 1.00 0.00 H new ATOM 611 N GLU A 76 4.477 2.580 -4.295 1.00 0.00 N ATOM 612 CA GLU A 76 5.185 2.928 -5.523 1.00 0.00 C ATOM 613 C GLU A 76 4.755 4.303 -6.030 1.00 0.00 C ATOM 614 O GLU A 76 3.567 4.559 -6.225 1.00 0.00 O ATOM 615 CB GLU A 76 4.934 1.870 -6.598 1.00 0.00 C ATOM 616 CG GLU A 76 6.185 1.469 -7.362 1.00 0.00 C ATOM 617 CD GLU A 76 6.417 2.324 -8.591 1.00 0.00 C ATOM 618 OE1 GLU A 76 7.558 2.341 -9.098 1.00 0.00 O ATOM 619 OE2 GLU A 76 5.456 2.977 -9.050 1.00 0.00 O ATOM 0 H GLU A 76 4.000 1.679 -4.322 1.00 0.00 H new ATOM 0 HA GLU A 76 6.252 2.962 -5.301 1.00 0.00 H new ATOM 0 HB2 GLU A 76 4.505 0.984 -6.130 1.00 0.00 H new ATOM 0 HB3 GLU A 76 4.194 2.249 -7.303 1.00 0.00 H new ATOM 0 HG2 GLU A 76 7.049 1.546 -6.702 1.00 0.00 H new ATOM 0 HG3 GLU A 76 6.104 0.424 -7.661 1.00 0.00 H new ATOM 626 N ASN A 77 5.727 5.183 -6.235 1.00 0.00 N ATOM 627 CA ASN A 77 5.449 6.534 -6.713 1.00 0.00 C ATOM 628 C ASN A 77 4.772 6.506 -8.079 1.00 0.00 C ATOM 629 O ASN A 77 3.889 7.316 -8.362 1.00 0.00 O ATOM 630 CB ASN A 77 6.742 7.345 -6.789 1.00 0.00 C ATOM 631 CG ASN A 77 6.495 8.808 -7.056 1.00 0.00 C ATOM 632 OD1 ASN A 77 5.353 9.250 -7.177 1.00 0.00 O ATOM 633 ND2 ASN A 77 7.574 9.567 -7.148 1.00 0.00 N ATOM 0 H ASN A 77 6.716 4.987 -6.078 1.00 0.00 H new ATOM 0 HA ASN A 77 4.770 7.008 -6.004 1.00 0.00 H new ATOM 0 HB2 ASN A 77 7.289 7.238 -5.852 1.00 0.00 H new ATOM 0 HB3 ASN A 77 7.376 6.938 -7.577 1.00 0.00 H new ATOM 0 HD21 ASN A 77 7.480 10.567 -7.327 1.00 0.00 H new ATOM 0 HD22 ASN A 77 8.500 9.153 -7.040 1.00 0.00 H new ATOM 640 N ARG A 78 5.191 5.569 -8.921 1.00 0.00 N ATOM 641 CA ARG A 78 4.627 5.437 -10.260 1.00 0.00 C ATOM 642 C ARG A 78 3.291 4.698 -10.226 1.00 0.00 C ATOM 643 O ARG A 78 2.496 4.794 -11.161 1.00 0.00 O ATOM 644 CB ARG A 78 5.605 4.698 -11.177 1.00 0.00 C ATOM 645 CG ARG A 78 5.594 5.203 -12.611 1.00 0.00 C ATOM 646 CD ARG A 78 6.197 6.596 -12.722 1.00 0.00 C ATOM 647 NE ARG A 78 7.503 6.575 -13.378 1.00 0.00 N ATOM 648 CZ ARG A 78 8.660 6.434 -12.734 1.00 0.00 C ATOM 649 NH1 ARG A 78 8.684 6.300 -11.412 1.00 0.00 N ATOM 650 NH2 ARG A 78 9.799 6.427 -13.413 1.00 0.00 N ATOM 0 H ARG A 78 5.919 4.889 -8.701 1.00 0.00 H new ATOM 0 HA ARG A 78 4.455 6.440 -10.650 1.00 0.00 H new ATOM 0 HB2 ARG A 78 6.613 4.796 -10.774 1.00 0.00 H new ATOM 0 HB3 ARG A 78 5.362 3.635 -11.173 1.00 0.00 H new ATOM 0 HG2 ARG A 78 6.152 4.513 -13.244 1.00 0.00 H new ATOM 0 HG3 ARG A 78 4.570 5.219 -12.983 1.00 0.00 H new ATOM 0 HD2 ARG A 78 5.520 7.241 -13.282 1.00 0.00 H new ATOM 0 HD3 ARG A 78 6.298 7.028 -11.726 1.00 0.00 H new ATOM 0 HE ARG A 78 7.530 6.675 -14.393 1.00 0.00 H new ATOM 0 HH11 ARG A 78 7.812 6.305 -10.883 1.00 0.00 H new ATOM 0 HH12 ARG A 78 9.575 6.192 -10.926 1.00 0.00 H new ATOM 0 HH21 ARG A 78 9.788 6.530 -14.428 1.00 0.00 H new ATOM 0 HH22 ARG A 78 10.686 6.319 -12.921 1.00 0.00 H new ATOM 664 N CYS A 79 3.051 3.955 -9.150 1.00 0.00 N ATOM 665 CA CYS A 79 1.812 3.198 -9.007 1.00 0.00 C ATOM 666 C CYS A 79 0.858 3.877 -8.030 1.00 0.00 C ATOM 667 O CYS A 79 1.283 4.551 -7.092 1.00 0.00 O ATOM 668 CB CYS A 79 2.113 1.776 -8.533 1.00 0.00 C ATOM 669 SG CYS A 79 0.912 0.544 -9.089 1.00 0.00 S ATOM 0 H CYS A 79 3.697 3.861 -8.366 1.00 0.00 H new ATOM 0 HA CYS A 79 1.330 3.159 -9.984 1.00 0.00 H new ATOM 0 HB2 CYS A 79 3.103 1.488 -8.887 1.00 0.00 H new ATOM 0 HB3 CYS A 79 2.149 1.767 -7.444 1.00 0.00 H new ATOM 674 N SER A 80 -0.437 3.690 -8.257 1.00 0.00 N ATOM 675 CA SER A 80 -1.462 4.274 -7.401 1.00 0.00 C ATOM 676 C SER A 80 -2.657 3.333 -7.293 1.00 0.00 C ATOM 677 O SER A 80 -3.778 3.686 -7.664 1.00 0.00 O ATOM 678 CB SER A 80 -1.906 5.631 -7.950 1.00 0.00 C ATOM 679 OG SER A 80 -0.788 6.450 -8.250 1.00 0.00 O ATOM 0 H SER A 80 -0.803 3.136 -9.031 1.00 0.00 H new ATOM 0 HA SER A 80 -1.041 4.422 -6.407 1.00 0.00 H new ATOM 0 HB2 SER A 80 -2.505 5.485 -8.849 1.00 0.00 H new ATOM 0 HB3 SER A 80 -2.542 6.132 -7.220 1.00 0.00 H new ATOM 0 HG SER A 80 -0.901 7.326 -7.825 1.00 0.00 H new ATOM 685 N TYR A 81 -2.406 2.128 -6.791 1.00 0.00 N ATOM 686 CA TYR A 81 -3.454 1.126 -6.644 1.00 0.00 C ATOM 687 C TYR A 81 -3.911 1.007 -5.193 1.00 0.00 C ATOM 688 O TYR A 81 -3.104 1.084 -4.267 1.00 0.00 O ATOM 689 CB TYR A 81 -2.955 -0.230 -7.146 1.00 0.00 C ATOM 690 CG TYR A 81 -3.955 -0.960 -8.015 1.00 0.00 C ATOM 691 CD1 TYR A 81 -3.764 -1.066 -9.387 1.00 0.00 C ATOM 692 CD2 TYR A 81 -5.090 -1.542 -7.462 1.00 0.00 C ATOM 693 CE1 TYR A 81 -4.676 -1.731 -10.184 1.00 0.00 C ATOM 694 CE2 TYR A 81 -6.006 -2.209 -8.253 1.00 0.00 C ATOM 695 CZ TYR A 81 -5.794 -2.301 -9.613 1.00 0.00 C ATOM 696 OH TYR A 81 -6.704 -2.965 -10.404 1.00 0.00 O ATOM 0 H TYR A 81 -1.484 1.822 -6.479 1.00 0.00 H new ATOM 0 HA TYR A 81 -4.308 1.443 -7.242 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -2.035 -0.082 -7.711 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -2.706 -0.856 -6.289 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -2.889 -0.622 -9.838 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -5.258 -1.472 -6.398 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -4.514 -1.804 -11.249 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -6.883 -2.656 -7.809 1.00 0.00 H new ATOM 0 HH TYR A 81 -7.433 -3.308 -9.846 1.00 0.00 H new ATOM 706 N VAL A 82 -5.213 0.807 -5.008 1.00 0.00 N ATOM 707 CA VAL A 82 -5.785 0.663 -3.675 1.00 0.00 C ATOM 708 C VAL A 82 -6.126 -0.796 -3.392 1.00 0.00 C ATOM 709 O VAL A 82 -6.932 -1.401 -4.100 1.00 0.00 O ATOM 710 CB VAL A 82 -7.057 1.517 -3.512 1.00 0.00 C ATOM 711 CG1 VAL A 82 -7.495 1.552 -2.055 1.00 0.00 C ATOM 712 CG2 VAL A 82 -6.829 2.923 -4.042 1.00 0.00 C ATOM 0 H VAL A 82 -5.892 0.741 -5.766 1.00 0.00 H new ATOM 0 HA VAL A 82 -5.035 1.010 -2.964 1.00 0.00 H new ATOM 0 HB VAL A 82 -7.856 1.060 -4.096 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -8.395 2.160 -1.960 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -7.704 0.538 -1.714 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -6.700 1.983 -1.446 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -7.739 3.511 -3.918 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -6.015 3.393 -3.489 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -6.569 2.876 -5.099 1.00 0.00 H new ATOM 722 N GLY A 83 -5.505 -1.361 -2.360 1.00 0.00 N ATOM 723 CA GLY A 83 -5.759 -2.749 -2.021 1.00 0.00 C ATOM 724 C GLY A 83 -5.915 -2.978 -0.531 1.00 0.00 C ATOM 725 O GLY A 83 -5.508 -2.149 0.282 1.00 0.00 O ATOM 0 H GLY A 83 -4.835 -0.885 -1.756 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -6.663 -3.082 -2.530 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -4.939 -3.364 -2.393 1.00 0.00 H new ATOM 729 N CYS A 84 -6.503 -4.116 -0.175 1.00 0.00 N ATOM 730 CA CYS A 84 -6.712 -4.469 1.224 1.00 0.00 C ATOM 731 C CYS A 84 -5.695 -5.515 1.674 1.00 0.00 C ATOM 732 O CYS A 84 -5.252 -6.345 0.880 1.00 0.00 O ATOM 733 CB CYS A 84 -8.136 -4.991 1.441 1.00 0.00 C ATOM 734 SG CYS A 84 -8.708 -6.154 0.178 1.00 0.00 S ATOM 0 H CYS A 84 -6.844 -4.811 -0.839 1.00 0.00 H new ATOM 0 HA CYS A 84 -6.574 -3.570 1.824 1.00 0.00 H new ATOM 0 HB2 CYS A 84 -8.187 -5.478 2.415 1.00 0.00 H new ATOM 0 HB3 CYS A 84 -8.820 -4.143 1.472 1.00 0.00 H new ATOM 739 N GLY A 85 -5.324 -5.462 2.951 1.00 0.00 N ATOM 740 CA GLY A 85 -4.353 -6.402 3.484 1.00 0.00 C ATOM 741 C GLY A 85 -4.940 -7.776 3.750 1.00 0.00 C ATOM 742 O GLY A 85 -6.062 -8.073 3.338 1.00 0.00 O ATOM 0 H GLY A 85 -5.679 -4.785 3.626 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -3.525 -6.497 2.782 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -3.941 -6.003 4.411 1.00 0.00 H new ATOM 746 N GLU A 86 -4.173 -8.615 4.441 1.00 0.00 N ATOM 747 CA GLU A 86 -4.609 -9.970 4.768 1.00 0.00 C ATOM 748 C GLU A 86 -5.918 -9.957 5.552 1.00 0.00 C ATOM 749 O GLU A 86 -6.643 -10.951 5.581 1.00 0.00 O ATOM 750 CB GLU A 86 -3.532 -10.695 5.577 1.00 0.00 C ATOM 751 CG GLU A 86 -2.179 -10.745 4.886 1.00 0.00 C ATOM 752 CD GLU A 86 -1.070 -11.212 5.810 1.00 0.00 C ATOM 753 OE1 GLU A 86 -0.863 -10.570 6.861 1.00 0.00 O ATOM 754 OE2 GLU A 86 -0.411 -12.222 5.484 1.00 0.00 O ATOM 0 H GLU A 86 -3.243 -8.379 4.787 1.00 0.00 H new ATOM 0 HA GLU A 86 -4.775 -10.500 3.830 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -3.419 -10.200 6.541 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -3.865 -11.713 5.778 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -2.238 -11.414 4.028 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -1.934 -9.755 4.502 1.00 0.00 H new ATOM 761 N SER A 87 -6.214 -8.830 6.190 1.00 0.00 N ATOM 762 CA SER A 87 -7.435 -8.697 6.975 1.00 0.00 C ATOM 763 C SER A 87 -8.677 -8.852 6.100 1.00 0.00 C ATOM 764 O SER A 87 -9.776 -9.082 6.605 1.00 0.00 O ATOM 765 CB SER A 87 -7.464 -7.342 7.685 1.00 0.00 C ATOM 766 OG SER A 87 -6.623 -7.345 8.826 1.00 0.00 O ATOM 0 H SER A 87 -5.626 -7.997 6.179 1.00 0.00 H new ATOM 0 HA SER A 87 -7.441 -9.493 7.719 1.00 0.00 H new ATOM 0 HB2 SER A 87 -7.144 -6.560 6.996 1.00 0.00 H new ATOM 0 HB3 SER A 87 -8.486 -7.106 7.983 1.00 0.00 H new ATOM 0 HG SER A 87 -6.658 -6.467 9.261 1.00 0.00 H new ATOM 772 N GLN A 88 -8.501 -8.722 4.787 1.00 0.00 N ATOM 773 CA GLN A 88 -9.615 -8.846 3.855 1.00 0.00 C ATOM 774 C GLN A 88 -9.330 -9.903 2.790 1.00 0.00 C ATOM 775 O GLN A 88 -9.938 -10.973 2.789 1.00 0.00 O ATOM 776 CB GLN A 88 -9.904 -7.500 3.193 1.00 0.00 C ATOM 777 CG GLN A 88 -10.111 -6.367 4.187 1.00 0.00 C ATOM 778 CD GLN A 88 -11.556 -5.913 4.263 1.00 0.00 C ATOM 779 OE1 GLN A 88 -11.838 -4.719 4.353 1.00 0.00 O ATOM 780 NE2 GLN A 88 -12.478 -6.867 4.229 1.00 0.00 N ATOM 0 H GLN A 88 -7.601 -8.532 4.347 1.00 0.00 H new ATOM 0 HA GLN A 88 -10.492 -9.162 4.421 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -9.077 -7.245 2.530 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -10.794 -7.594 2.571 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -9.784 -6.691 5.175 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -9.483 -5.522 3.905 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -12.198 -7.845 4.154 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -13.467 -6.622 4.278 1.00 0.00 H new ATOM 789 N VAL A 89 -8.406 -9.597 1.882 1.00 0.00 N ATOM 790 CA VAL A 89 -8.056 -10.529 0.814 1.00 0.00 C ATOM 791 C VAL A 89 -6.580 -10.426 0.429 1.00 0.00 C ATOM 792 O VAL A 89 -6.176 -10.897 -0.634 1.00 0.00 O ATOM 793 CB VAL A 89 -8.915 -10.287 -0.443 1.00 0.00 C ATOM 794 CG1 VAL A 89 -8.737 -11.423 -1.438 1.00 0.00 C ATOM 795 CG2 VAL A 89 -10.380 -10.123 -0.067 1.00 0.00 C ATOM 0 H VAL A 89 -7.890 -8.717 1.864 1.00 0.00 H new ATOM 0 HA VAL A 89 -8.251 -11.528 1.203 1.00 0.00 H new ATOM 0 HB VAL A 89 -8.580 -9.364 -0.916 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -9.351 -11.235 -2.319 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -7.690 -11.488 -1.733 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -9.043 -12.362 -0.977 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -10.970 -9.953 -0.968 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -10.731 -11.026 0.432 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -10.490 -9.272 0.605 1.00 0.00 H new ATOM 805 N ASP A 90 -5.775 -9.812 1.295 1.00 0.00 N ATOM 806 CA ASP A 90 -4.345 -9.658 1.037 1.00 0.00 C ATOM 807 C ASP A 90 -4.090 -9.144 -0.379 1.00 0.00 C ATOM 808 O ASP A 90 -3.088 -9.490 -1.008 1.00 0.00 O ATOM 809 CB ASP A 90 -3.623 -10.990 1.241 1.00 0.00 C ATOM 810 CG ASP A 90 -2.175 -10.805 1.648 1.00 0.00 C ATOM 811 OD1 ASP A 90 -1.349 -11.682 1.316 1.00 0.00 O ATOM 812 OD2 ASP A 90 -1.867 -9.784 2.296 1.00 0.00 O ATOM 0 H ASP A 90 -6.089 -9.414 2.180 1.00 0.00 H new ATOM 0 HA ASP A 90 -3.956 -8.925 1.743 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -4.142 -11.568 2.006 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -3.667 -11.569 0.319 1.00 0.00 H new ATOM 817 N HIS A 91 -5.000 -8.309 -0.872 1.00 0.00 N ATOM 818 CA HIS A 91 -4.875 -7.743 -2.210 1.00 0.00 C ATOM 819 C HIS A 91 -3.539 -7.027 -2.367 1.00 0.00 C ATOM 820 O HIS A 91 -2.930 -7.054 -3.436 1.00 0.00 O ATOM 821 CB HIS A 91 -6.026 -6.775 -2.485 1.00 0.00 C ATOM 822 CG HIS A 91 -7.119 -7.364 -3.322 1.00 0.00 C ATOM 823 ND1 HIS A 91 -8.425 -6.966 -3.175 1.00 0.00 N ATOM 824 CD2 HIS A 91 -7.050 -8.312 -4.288 1.00 0.00 C ATOM 825 CE1 HIS A 91 -9.120 -7.675 -4.048 1.00 0.00 C ATOM 826 NE2 HIS A 91 -8.329 -8.505 -4.746 1.00 0.00 N ATOM 0 H HIS A 91 -5.832 -8.010 -0.364 1.00 0.00 H new ATOM 0 HA HIS A 91 -4.918 -8.557 -2.933 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -6.446 -6.444 -1.535 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -5.633 -5.890 -2.986 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -6.160 -8.818 -4.631 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -10.189 -7.596 -4.183 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -8.622 -9.154 -5.476 1.00 0.00 H new ATOM 834 N SER A 92 -3.086 -6.394 -1.291 1.00 0.00 N ATOM 835 CA SER A 92 -1.817 -5.679 -1.306 1.00 0.00 C ATOM 836 C SER A 92 -0.669 -6.633 -1.617 1.00 0.00 C ATOM 837 O SER A 92 0.281 -6.273 -2.312 1.00 0.00 O ATOM 838 CB SER A 92 -1.578 -4.990 0.038 1.00 0.00 C ATOM 839 OG SER A 92 -0.791 -3.821 -0.120 1.00 0.00 O ATOM 0 H SER A 92 -3.579 -6.362 -0.398 1.00 0.00 H new ATOM 0 HA SER A 92 -1.860 -4.920 -2.087 1.00 0.00 H new ATOM 0 HB2 SER A 92 -2.534 -4.730 0.492 1.00 0.00 H new ATOM 0 HB3 SER A 92 -1.079 -5.679 0.720 1.00 0.00 H new ATOM 0 HG SER A 92 -1.357 -3.085 -0.434 1.00 0.00 H new ATOM 845 N THR A 93 -0.770 -7.855 -1.104 1.00 0.00 N ATOM 846 CA THR A 93 0.257 -8.864 -1.331 1.00 0.00 C ATOM 847 C THR A 93 0.217 -9.348 -2.776 1.00 0.00 C ATOM 848 O THR A 93 1.245 -9.400 -3.453 1.00 0.00 O ATOM 849 CB THR A 93 0.066 -10.043 -0.373 1.00 0.00 C ATOM 850 OG1 THR A 93 0.205 -9.620 0.971 1.00 0.00 O ATOM 851 CG2 THR A 93 1.051 -11.171 -0.602 1.00 0.00 C ATOM 0 H THR A 93 -1.552 -8.170 -0.529 1.00 0.00 H new ATOM 0 HA THR A 93 1.231 -8.414 -1.141 1.00 0.00 H new ATOM 0 HB THR A 93 -0.939 -10.416 -0.571 1.00 0.00 H new ATOM 0 HG1 THR A 93 0.479 -8.679 0.991 1.00 0.00 H new ATOM 0 HG21 THR A 93 0.858 -11.973 0.111 1.00 0.00 H new ATOM 0 HG22 THR A 93 0.938 -11.553 -1.617 1.00 0.00 H new ATOM 0 HG23 THR A 93 2.067 -10.800 -0.465 1.00 0.00 H new ATOM 859 N ILE A 94 -0.975 -9.693 -3.250 1.00 0.00 N ATOM 860 CA ILE A 94 -1.136 -10.161 -4.622 1.00 0.00 C ATOM 861 C ILE A 94 -0.639 -9.109 -5.602 1.00 0.00 C ATOM 862 O ILE A 94 0.177 -9.395 -6.478 1.00 0.00 O ATOM 863 CB ILE A 94 -2.605 -10.502 -4.956 1.00 0.00 C ATOM 864 CG1 ILE A 94 -3.279 -11.207 -3.775 1.00 0.00 C ATOM 865 CG2 ILE A 94 -2.670 -11.364 -6.209 1.00 0.00 C ATOM 866 CD1 ILE A 94 -4.641 -11.785 -4.104 1.00 0.00 C ATOM 0 H ILE A 94 -1.839 -9.658 -2.709 1.00 0.00 H new ATOM 0 HA ILE A 94 -0.545 -11.072 -4.714 1.00 0.00 H new ATOM 0 HB ILE A 94 -3.144 -9.574 -5.145 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -2.630 -12.009 -3.424 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -3.384 -10.499 -2.953 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -3.710 -11.599 -6.436 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -2.229 -10.823 -7.046 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -2.117 -12.289 -6.044 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -5.055 -12.268 -3.219 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -5.308 -10.985 -4.426 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -4.541 -12.518 -4.904 1.00 0.00 H new ATOM 878 N HIS A 95 -1.127 -7.884 -5.436 1.00 0.00 N ATOM 879 CA HIS A 95 -0.720 -6.780 -6.294 1.00 0.00 C ATOM 880 C HIS A 95 0.786 -6.560 -6.183 1.00 0.00 C ATOM 881 O HIS A 95 1.451 -6.225 -7.163 1.00 0.00 O ATOM 882 CB HIS A 95 -1.471 -5.500 -5.912 1.00 0.00 C ATOM 883 CG HIS A 95 -0.921 -4.260 -6.550 1.00 0.00 C ATOM 884 ND1 HIS A 95 -1.575 -3.540 -7.524 1.00 0.00 N ATOM 885 CD2 HIS A 95 0.253 -3.612 -6.332 1.00 0.00 C ATOM 886 CE1 HIS A 95 -0.797 -2.502 -7.862 1.00 0.00 C ATOM 887 NE2 HIS A 95 0.325 -2.501 -7.166 1.00 0.00 N ATOM 0 H HIS A 95 -1.804 -7.632 -4.716 1.00 0.00 H new ATOM 0 HA HIS A 95 -0.966 -7.031 -7.326 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -2.519 -5.607 -6.193 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -1.442 -5.383 -4.829 1.00 0.00 H new ATOM 0 HD1 HIS A 95 -2.490 -3.758 -7.919 1.00 0.00 H new ATOM 0 HD2 HIS A 95 1.011 -3.912 -5.623 1.00 0.00 H new ATOM 0 HE1 HIS A 95 -1.054 -1.763 -8.606 1.00 0.00 H new ATOM 895 N SER A 96 1.314 -6.758 -4.979 1.00 0.00 N ATOM 896 CA SER A 96 2.740 -6.588 -4.734 1.00 0.00 C ATOM 897 C SER A 96 3.557 -7.531 -5.611 1.00 0.00 C ATOM 898 O SER A 96 4.580 -7.145 -6.168 1.00 0.00 O ATOM 899 CB SER A 96 3.057 -6.834 -3.256 1.00 0.00 C ATOM 900 OG SER A 96 4.419 -7.184 -3.072 1.00 0.00 O ATOM 0 H SER A 96 0.775 -7.036 -4.159 1.00 0.00 H new ATOM 0 HA SER A 96 3.010 -5.563 -4.988 1.00 0.00 H new ATOM 0 HB2 SER A 96 2.829 -5.938 -2.679 1.00 0.00 H new ATOM 0 HB3 SER A 96 2.420 -7.631 -2.873 1.00 0.00 H new ATOM 0 HG SER A 96 4.990 -6.502 -3.483 1.00 0.00 H new ATOM 906 N GLN A 97 3.104 -8.771 -5.733 1.00 0.00 N ATOM 907 CA GLN A 97 3.812 -9.751 -6.548 1.00 0.00 C ATOM 908 C GLN A 97 3.678 -9.425 -8.034 1.00 0.00 C ATOM 909 O GLN A 97 4.667 -9.407 -8.768 1.00 0.00 O ATOM 910 CB GLN A 97 3.279 -11.158 -6.270 1.00 0.00 C ATOM 911 CG GLN A 97 3.850 -11.786 -5.008 1.00 0.00 C ATOM 912 CD GLN A 97 3.303 -11.151 -3.744 1.00 0.00 C ATOM 913 OE1 GLN A 97 2.453 -11.727 -3.064 1.00 0.00 O ATOM 914 NE2 GLN A 97 3.788 -9.957 -3.424 1.00 0.00 N ATOM 0 H GLN A 97 2.258 -9.121 -5.283 1.00 0.00 H new ATOM 0 HA GLN A 97 4.868 -9.712 -6.282 1.00 0.00 H new ATOM 0 HB2 GLN A 97 2.193 -11.116 -6.186 1.00 0.00 H new ATOM 0 HB3 GLN A 97 3.508 -11.799 -7.121 1.00 0.00 H new ATOM 0 HG2 GLN A 97 3.624 -12.852 -5.002 1.00 0.00 H new ATOM 0 HG3 GLN A 97 4.936 -11.691 -5.018 1.00 0.00 H new ATOM 0 HE21 GLN A 97 4.492 -9.517 -4.017 1.00 0.00 H new ATOM 0 HE22 GLN A 97 3.457 -9.480 -2.585 1.00 0.00 H new ATOM 923 N GLU A 98 2.447 -9.172 -8.469 1.00 0.00 N ATOM 924 CA GLU A 98 2.170 -8.856 -9.869 1.00 0.00 C ATOM 925 C GLU A 98 3.085 -7.752 -10.401 1.00 0.00 C ATOM 926 O GLU A 98 3.666 -7.886 -11.477 1.00 0.00 O ATOM 927 CB GLU A 98 0.708 -8.440 -10.034 1.00 0.00 C ATOM 928 CG GLU A 98 -0.226 -9.604 -10.330 1.00 0.00 C ATOM 929 CD GLU A 98 -1.324 -9.750 -9.294 1.00 0.00 C ATOM 930 OE1 GLU A 98 -1.731 -10.899 -9.019 1.00 0.00 O ATOM 931 OE2 GLU A 98 -1.777 -8.716 -8.758 1.00 0.00 O ATOM 0 H GLU A 98 1.621 -9.180 -7.870 1.00 0.00 H new ATOM 0 HA GLU A 98 2.365 -9.757 -10.451 1.00 0.00 H new ATOM 0 HB2 GLU A 98 0.376 -7.941 -9.124 1.00 0.00 H new ATOM 0 HB3 GLU A 98 0.635 -7.712 -10.842 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -0.676 -9.463 -11.313 1.00 0.00 H new ATOM 0 HG3 GLU A 98 0.352 -10.527 -10.373 1.00 0.00 H new ATOM 938 N THR A 99 3.200 -6.660 -9.653 1.00 0.00 N ATOM 939 CA THR A 99 4.036 -5.537 -10.071 1.00 0.00 C ATOM 940 C THR A 99 5.356 -5.495 -9.305 1.00 0.00 C ATOM 941 O THR A 99 6.095 -4.515 -9.389 1.00 0.00 O ATOM 942 CB THR A 99 3.285 -4.220 -9.875 1.00 0.00 C ATOM 943 OG1 THR A 99 2.855 -4.084 -8.532 1.00 0.00 O ATOM 944 CG2 THR A 99 2.069 -4.084 -10.764 1.00 0.00 C ATOM 0 H THR A 99 2.728 -6.527 -8.758 1.00 0.00 H new ATOM 0 HA THR A 99 4.265 -5.676 -11.128 1.00 0.00 H new ATOM 0 HB THR A 99 3.997 -3.439 -10.143 1.00 0.00 H new ATOM 0 HG1 THR A 99 2.712 -3.136 -8.329 1.00 0.00 H new ATOM 0 HG21 THR A 99 1.584 -3.127 -10.573 1.00 0.00 H new ATOM 0 HG22 THR A 99 2.375 -4.134 -11.809 1.00 0.00 H new ATOM 0 HG23 THR A 99 1.371 -4.893 -10.552 1.00 0.00 H new ATOM 952 N LYS A 100 5.653 -6.554 -8.560 1.00 0.00 N ATOM 953 CA LYS A 100 6.889 -6.615 -7.788 1.00 0.00 C ATOM 954 C LYS A 100 6.987 -5.448 -6.803 1.00 0.00 C ATOM 955 O LYS A 100 8.077 -5.097 -6.351 1.00 0.00 O ATOM 956 CB LYS A 100 8.099 -6.604 -8.725 1.00 0.00 C ATOM 957 CG LYS A 100 8.176 -7.821 -9.632 1.00 0.00 C ATOM 958 CD LYS A 100 9.194 -8.831 -9.129 1.00 0.00 C ATOM 959 CE LYS A 100 9.764 -9.663 -10.265 1.00 0.00 C ATOM 960 NZ LYS A 100 8.722 -10.511 -10.909 1.00 0.00 N ATOM 0 H LYS A 100 5.058 -7.378 -8.474 1.00 0.00 H new ATOM 0 HA LYS A 100 6.881 -7.544 -7.218 1.00 0.00 H new ATOM 0 HB2 LYS A 100 8.064 -5.705 -9.340 1.00 0.00 H new ATOM 0 HB3 LYS A 100 9.010 -6.547 -8.129 1.00 0.00 H new ATOM 0 HG2 LYS A 100 7.195 -8.292 -9.693 1.00 0.00 H new ATOM 0 HG3 LYS A 100 8.442 -7.507 -10.641 1.00 0.00 H new ATOM 0 HD2 LYS A 100 10.003 -8.309 -8.618 1.00 0.00 H new ATOM 0 HD3 LYS A 100 8.725 -9.487 -8.396 1.00 0.00 H new ATOM 0 HE2 LYS A 100 10.208 -9.004 -11.011 1.00 0.00 H new ATOM 0 HE3 LYS A 100 10.564 -10.298 -9.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 9.157 -11.088 -11.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 8.292 -11.134 -10.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 7.988 -9.903 -11.325 1.00 0.00 H new ATOM 974 N HIS A 101 5.841 -4.865 -6.459 1.00 0.00 N ATOM 975 CA HIS A 101 5.798 -3.757 -5.512 1.00 0.00 C ATOM 976 C HIS A 101 5.701 -4.291 -4.086 1.00 0.00 C ATOM 977 O HIS A 101 4.615 -4.617 -3.610 1.00 0.00 O ATOM 978 CB HIS A 101 4.605 -2.845 -5.807 1.00 0.00 C ATOM 979 CG HIS A 101 4.627 -2.243 -7.178 1.00 0.00 C ATOM 980 ND1 HIS A 101 3.524 -1.616 -7.705 1.00 0.00 N ATOM 981 CD2 HIS A 101 5.635 -2.199 -8.083 1.00 0.00 C ATOM 982 CE1 HIS A 101 3.881 -1.206 -8.907 1.00 0.00 C ATOM 983 NE2 HIS A 101 5.151 -1.536 -9.182 1.00 0.00 N ATOM 0 H HIS A 101 4.930 -5.143 -6.823 1.00 0.00 H new ATOM 0 HA HIS A 101 6.715 -3.178 -5.616 1.00 0.00 H new ATOM 0 HB2 HIS A 101 3.685 -3.416 -5.686 1.00 0.00 H new ATOM 0 HB3 HIS A 101 4.582 -2.043 -5.069 1.00 0.00 H new ATOM 0 HD2 HIS A 101 6.628 -2.607 -7.962 1.00 0.00 H new ATOM 0 HE1 HIS A 101 3.232 -0.672 -9.585 1.00 0.00 H new ATOM 0 HE2 HIS A 101 5.659 -1.333 -10.043 1.00 0.00 H new ATOM 991 N TYR A 102 6.844 -4.389 -3.412 1.00 0.00 N ATOM 992 CA TYR A 102 6.882 -4.900 -2.045 1.00 0.00 C ATOM 993 C TYR A 102 6.754 -3.775 -1.022 1.00 0.00 C ATOM 994 O TYR A 102 7.279 -3.874 0.088 1.00 0.00 O ATOM 995 CB TYR A 102 8.183 -5.664 -1.805 1.00 0.00 C ATOM 996 CG TYR A 102 8.511 -6.663 -2.889 1.00 0.00 C ATOM 997 CD1 TYR A 102 7.682 -7.751 -3.126 1.00 0.00 C ATOM 998 CD2 TYR A 102 9.648 -6.519 -3.672 1.00 0.00 C ATOM 999 CE1 TYR A 102 7.976 -8.670 -4.114 1.00 0.00 C ATOM 1000 CE2 TYR A 102 9.950 -7.434 -4.665 1.00 0.00 C ATOM 1001 CZ TYR A 102 9.112 -8.507 -4.881 1.00 0.00 C ATOM 1002 OH TYR A 102 9.408 -9.419 -5.867 1.00 0.00 O ATOM 0 H TYR A 102 7.753 -4.122 -3.789 1.00 0.00 H new ATOM 0 HA TYR A 102 6.033 -5.572 -1.920 1.00 0.00 H new ATOM 0 HB2 TYR A 102 9.003 -4.950 -1.721 1.00 0.00 H new ATOM 0 HB3 TYR A 102 8.116 -6.186 -0.851 1.00 0.00 H new ATOM 0 HD1 TYR A 102 6.792 -7.881 -2.528 1.00 0.00 H new ATOM 0 HD2 TYR A 102 10.307 -5.680 -3.504 1.00 0.00 H new ATOM 0 HE1 TYR A 102 7.321 -9.511 -4.286 1.00 0.00 H new ATOM 0 HE2 TYR A 102 10.837 -7.308 -5.268 1.00 0.00 H new ATOM 0 HH TYR A 102 10.240 -9.159 -6.314 1.00 0.00 H new ATOM 1012 N LEU A 103 6.053 -2.709 -1.391 1.00 0.00 N ATOM 1013 CA LEU A 103 5.863 -1.577 -0.493 1.00 0.00 C ATOM 1014 C LEU A 103 4.401 -1.151 -0.459 1.00 0.00 C ATOM 1015 O LEU A 103 3.842 -0.734 -1.474 1.00 0.00 O ATOM 1016 CB LEU A 103 6.740 -0.401 -0.923 1.00 0.00 C ATOM 1017 CG LEU A 103 8.243 -0.611 -0.736 1.00 0.00 C ATOM 1018 CD1 LEU A 103 8.554 -1.005 0.699 1.00 0.00 C ATOM 1019 CD2 LEU A 103 8.761 -1.664 -1.704 1.00 0.00 C ATOM 0 H LEU A 103 5.608 -2.605 -2.303 1.00 0.00 H new ATOM 0 HA LEU A 103 6.156 -1.889 0.510 1.00 0.00 H new ATOM 0 HB2 LEU A 103 6.546 -0.189 -1.974 1.00 0.00 H new ATOM 0 HB3 LEU A 103 6.439 0.482 -0.359 1.00 0.00 H new ATOM 0 HG LEU A 103 8.749 0.330 -0.950 1.00 0.00 H new ATOM 0 HD11 LEU A 103 9.628 -1.150 0.812 1.00 0.00 H new ATOM 0 HD12 LEU A 103 8.222 -0.216 1.373 1.00 0.00 H new ATOM 0 HD13 LEU A 103 8.035 -1.932 0.942 1.00 0.00 H new ATOM 0 HD21 LEU A 103 9.832 -1.799 -1.555 1.00 0.00 H new ATOM 0 HD22 LEU A 103 8.248 -2.608 -1.523 1.00 0.00 H new ATOM 0 HD23 LEU A 103 8.575 -1.340 -2.728 1.00 0.00 H new ATOM 1031 N THR A 104 3.787 -1.257 0.713 1.00 0.00 N ATOM 1032 CA THR A 104 2.389 -0.881 0.879 1.00 0.00 C ATOM 1033 C THR A 104 2.195 -0.062 2.150 1.00 0.00 C ATOM 1034 O THR A 104 2.760 -0.379 3.196 1.00 0.00 O ATOM 1035 CB THR A 104 1.505 -2.130 0.919 1.00 0.00 C ATOM 1036 OG1 THR A 104 0.159 -1.783 1.190 1.00 0.00 O ATOM 1037 CG2 THR A 104 1.939 -3.138 1.960 1.00 0.00 C ATOM 0 H THR A 104 4.235 -1.600 1.562 1.00 0.00 H new ATOM 0 HA THR A 104 2.098 -0.267 0.026 1.00 0.00 H new ATOM 0 HB THR A 104 1.604 -2.586 -0.066 1.00 0.00 H new ATOM 0 HG1 THR A 104 -0.410 -2.573 1.083 1.00 0.00 H new ATOM 0 HG21 THR A 104 1.270 -3.998 1.935 1.00 0.00 H new ATOM 0 HG22 THR A 104 2.957 -3.464 1.748 1.00 0.00 H new ATOM 0 HG23 THR A 104 1.903 -2.679 2.948 1.00 0.00 H new ATOM 1045 N VAL A 105 1.393 0.993 2.054 1.00 0.00 N ATOM 1046 CA VAL A 105 1.132 1.857 3.199 1.00 0.00 C ATOM 1047 C VAL A 105 -0.356 1.891 3.533 1.00 0.00 C ATOM 1048 O VAL A 105 -1.189 2.198 2.680 1.00 0.00 O ATOM 1049 CB VAL A 105 1.625 3.297 2.941 1.00 0.00 C ATOM 1050 CG1 VAL A 105 0.888 3.919 1.763 1.00 0.00 C ATOM 1051 CG2 VAL A 105 1.465 4.150 4.192 1.00 0.00 C ATOM 0 H VAL A 105 0.914 1.270 1.197 1.00 0.00 H new ATOM 0 HA VAL A 105 1.681 1.440 4.043 1.00 0.00 H new ATOM 0 HB VAL A 105 2.685 3.255 2.690 1.00 0.00 H new ATOM 0 HG11 VAL A 105 1.252 4.933 1.600 1.00 0.00 H new ATOM 0 HG12 VAL A 105 1.064 3.322 0.868 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -0.181 3.947 1.976 1.00 0.00 H new ATOM 0 HG21 VAL A 105 1.818 5.161 3.990 1.00 0.00 H new ATOM 0 HG22 VAL A 105 0.414 4.183 4.478 1.00 0.00 H new ATOM 0 HG23 VAL A 105 2.049 3.717 5.004 1.00 0.00 H new ATOM 1061 N ASN A 106 -0.678 1.578 4.783 1.00 0.00 N ATOM 1062 CA ASN A 106 -2.064 1.578 5.237 1.00 0.00 C ATOM 1063 C ASN A 106 -2.515 2.992 5.574 1.00 0.00 C ATOM 1064 O ASN A 106 -1.900 3.670 6.392 1.00 0.00 O ATOM 1065 CB ASN A 106 -2.226 0.670 6.458 1.00 0.00 C ATOM 1066 CG ASN A 106 -1.157 0.913 7.506 1.00 0.00 C ATOM 1067 OD1 ASN A 106 -1.087 1.988 8.100 1.00 0.00 O ATOM 1068 ND2 ASN A 106 -0.315 -0.088 7.732 1.00 0.00 N ATOM 0 H ASN A 106 0.001 1.321 5.500 1.00 0.00 H new ATOM 0 HA ASN A 106 -2.689 1.195 4.430 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -3.209 0.833 6.901 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -2.189 -0.372 6.140 1.00 0.00 H new ATOM 0 HD21 ASN A 106 0.428 0.017 8.423 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -0.411 -0.962 7.215 1.00 0.00 H new ATOM 1075 N LEU A 107 -3.590 3.435 4.933 1.00 0.00 N ATOM 1076 CA LEU A 107 -4.121 4.774 5.163 1.00 0.00 C ATOM 1077 C LEU A 107 -4.799 4.879 6.528 1.00 0.00 C ATOM 1078 O LEU A 107 -5.042 5.978 7.027 1.00 0.00 O ATOM 1079 CB LEU A 107 -5.115 5.145 4.062 1.00 0.00 C ATOM 1080 CG LEU A 107 -4.712 4.706 2.651 1.00 0.00 C ATOM 1081 CD1 LEU A 107 -5.834 3.915 1.995 1.00 0.00 C ATOM 1082 CD2 LEU A 107 -4.343 5.914 1.802 1.00 0.00 C ATOM 0 H LEU A 107 -4.112 2.887 4.249 1.00 0.00 H new ATOM 0 HA LEU A 107 -3.283 5.471 5.145 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -6.082 4.702 4.302 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -5.250 6.227 4.065 1.00 0.00 H new ATOM 0 HG LEU A 107 -3.838 4.060 2.729 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -5.528 3.612 0.993 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -6.051 3.029 2.591 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -6.727 4.536 1.929 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -4.059 5.583 0.803 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -5.199 6.585 1.733 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -3.506 6.440 2.262 1.00 0.00 H new ATOM 1094 N THR A 108 -5.115 3.733 7.121 1.00 0.00 N ATOM 1095 CA THR A 108 -5.781 3.698 8.418 1.00 0.00 C ATOM 1096 C THR A 108 -4.789 3.866 9.569 1.00 0.00 C ATOM 1097 O THR A 108 -5.152 4.343 10.643 1.00 0.00 O ATOM 1098 CB THR A 108 -6.557 2.388 8.572 1.00 0.00 C ATOM 1099 OG1 THR A 108 -6.226 1.485 7.531 1.00 0.00 O ATOM 1100 CG2 THR A 108 -8.056 2.582 8.550 1.00 0.00 C ATOM 0 H THR A 108 -4.920 2.814 6.723 1.00 0.00 H new ATOM 0 HA THR A 108 -6.476 4.537 8.460 1.00 0.00 H new ATOM 0 HB THR A 108 -6.269 1.990 9.545 1.00 0.00 H new ATOM 0 HG1 THR A 108 -5.983 0.617 7.916 1.00 0.00 H new ATOM 0 HG21 THR A 108 -8.550 1.617 8.663 1.00 0.00 H new ATOM 0 HG22 THR A 108 -8.350 3.238 9.369 1.00 0.00 H new ATOM 0 HG23 THR A 108 -8.351 3.031 7.602 1.00 0.00 H new ATOM 1108 N THR A 109 -3.540 3.469 9.344 1.00 0.00 N ATOM 1109 CA THR A 109 -2.509 3.579 10.376 1.00 0.00 C ATOM 1110 C THR A 109 -1.386 4.528 9.951 1.00 0.00 C ATOM 1111 O THR A 109 -0.532 4.889 10.759 1.00 0.00 O ATOM 1112 CB THR A 109 -1.929 2.199 10.700 1.00 0.00 C ATOM 1113 OG1 THR A 109 -2.696 1.175 10.091 1.00 0.00 O ATOM 1114 CG2 THR A 109 -1.874 1.909 12.184 1.00 0.00 C ATOM 0 H THR A 109 -3.217 3.070 8.463 1.00 0.00 H new ATOM 0 HA THR A 109 -2.980 3.991 11.268 1.00 0.00 H new ATOM 0 HB THR A 109 -0.912 2.214 10.309 1.00 0.00 H new ATOM 0 HG1 THR A 109 -2.308 0.302 10.309 1.00 0.00 H new ATOM 0 HG21 THR A 109 -1.453 0.916 12.345 1.00 0.00 H new ATOM 0 HG22 THR A 109 -1.248 2.653 12.677 1.00 0.00 H new ATOM 0 HG23 THR A 109 -2.881 1.949 12.600 1.00 0.00 H new ATOM 1122 N LEU A 110 -1.391 4.928 8.682 1.00 0.00 N ATOM 1123 CA LEU A 110 -0.370 5.830 8.160 1.00 0.00 C ATOM 1124 C LEU A 110 1.020 5.212 8.279 1.00 0.00 C ATOM 1125 O LEU A 110 2.015 5.922 8.422 1.00 0.00 O ATOM 1126 CB LEU A 110 -0.413 7.167 8.902 1.00 0.00 C ATOM 1127 CG LEU A 110 -1.473 8.152 8.400 1.00 0.00 C ATOM 1128 CD1 LEU A 110 -1.378 9.468 9.156 1.00 0.00 C ATOM 1129 CD2 LEU A 110 -1.319 8.382 6.903 1.00 0.00 C ATOM 0 H LEU A 110 -2.091 4.642 7.997 1.00 0.00 H new ATOM 0 HA LEU A 110 -0.580 6.001 7.104 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -0.591 6.973 9.960 1.00 0.00 H new ATOM 0 HB3 LEU A 110 0.566 7.640 8.825 1.00 0.00 H new ATOM 0 HG LEU A 110 -2.458 7.722 8.582 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -2.138 10.156 8.786 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -1.537 9.289 10.219 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -0.390 9.904 9.005 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -2.080 9.084 6.563 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -0.330 8.791 6.698 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -1.437 7.435 6.375 1.00 0.00 H new ATOM 1141 N ARG A 111 1.081 3.885 8.219 1.00 0.00 N ATOM 1142 CA ARG A 111 2.350 3.171 8.319 1.00 0.00 C ATOM 1143 C ARG A 111 2.686 2.461 7.010 1.00 0.00 C ATOM 1144 O ARG A 111 1.802 2.187 6.197 1.00 0.00 O ATOM 1145 CB ARG A 111 2.299 2.157 9.464 1.00 0.00 C ATOM 1146 CG ARG A 111 1.950 2.774 10.808 1.00 0.00 C ATOM 1147 CD ARG A 111 2.536 1.972 11.958 1.00 0.00 C ATOM 1148 NE ARG A 111 2.698 2.781 13.163 1.00 0.00 N ATOM 1149 CZ ARG A 111 3.034 2.283 14.351 1.00 0.00 C ATOM 1150 NH1 ARG A 111 3.245 0.980 14.497 1.00 0.00 N ATOM 1151 NH2 ARG A 111 3.160 3.090 15.397 1.00 0.00 N ATOM 0 H ARG A 111 0.267 3.282 8.102 1.00 0.00 H new ATOM 0 HA ARG A 111 3.132 3.902 8.523 1.00 0.00 H new ATOM 0 HB2 ARG A 111 1.564 1.388 9.225 1.00 0.00 H new ATOM 0 HB3 ARG A 111 3.266 1.660 9.542 1.00 0.00 H new ATOM 0 HG2 ARG A 111 2.325 3.797 10.848 1.00 0.00 H new ATOM 0 HG3 ARG A 111 0.867 2.827 10.915 1.00 0.00 H new ATOM 0 HD2 ARG A 111 1.887 1.123 12.176 1.00 0.00 H new ATOM 0 HD3 ARG A 111 3.503 1.566 11.661 1.00 0.00 H new ATOM 0 HE ARG A 111 2.545 3.787 13.090 1.00 0.00 H new ATOM 0 HH11 ARG A 111 3.150 0.355 13.696 1.00 0.00 H new ATOM 0 HH12 ARG A 111 3.502 0.604 15.410 1.00 0.00 H new ATOM 0 HH21 ARG A 111 2.999 4.092 15.291 1.00 0.00 H new ATOM 0 HH22 ARG A 111 3.417 2.709 16.307 1.00 0.00 H new ATOM 1165 N VAL A 112 3.967 2.165 6.815 1.00 0.00 N ATOM 1166 CA VAL A 112 4.422 1.483 5.607 1.00 0.00 C ATOM 1167 C VAL A 112 4.887 0.065 5.923 1.00 0.00 C ATOM 1168 O VAL A 112 5.363 -0.210 7.025 1.00 0.00 O ATOM 1169 CB VAL A 112 5.575 2.248 4.924 1.00 0.00 C ATOM 1170 CG1 VAL A 112 5.799 1.724 3.514 1.00 0.00 C ATOM 1171 CG2 VAL A 112 5.292 3.744 4.906 1.00 0.00 C ATOM 0 H VAL A 112 4.710 2.387 7.478 1.00 0.00 H new ATOM 0 HA VAL A 112 3.571 1.445 4.927 1.00 0.00 H new ATOM 0 HB VAL A 112 6.486 2.083 5.499 1.00 0.00 H new ATOM 0 HG11 VAL A 112 6.616 2.274 3.047 1.00 0.00 H new ATOM 0 HG12 VAL A 112 6.052 0.665 3.556 1.00 0.00 H new ATOM 0 HG13 VAL A 112 4.890 1.857 2.928 1.00 0.00 H new ATOM 0 HG21 VAL A 112 6.117 4.265 4.420 1.00 0.00 H new ATOM 0 HG22 VAL A 112 4.370 3.933 4.357 1.00 0.00 H new ATOM 0 HG23 VAL A 112 5.186 4.107 5.928 1.00 0.00 H new ATOM 1181 N TRP A 113 4.742 -0.834 4.954 1.00 0.00 N ATOM 1182 CA TRP A 113 5.143 -2.224 5.140 1.00 0.00 C ATOM 1183 C TRP A 113 6.000 -2.717 3.976 1.00 0.00 C ATOM 1184 O TRP A 113 5.734 -2.402 2.815 1.00 0.00 O ATOM 1185 CB TRP A 113 3.908 -3.115 5.292 1.00 0.00 C ATOM 1186 CG TRP A 113 4.243 -4.556 5.528 1.00 0.00 C ATOM 1187 CD1 TRP A 113 4.309 -5.547 4.592 1.00 0.00 C ATOM 1188 CD2 TRP A 113 4.556 -5.169 6.785 1.00 0.00 C ATOM 1189 NE1 TRP A 113 4.646 -6.738 5.188 1.00 0.00 N ATOM 1190 CE2 TRP A 113 4.803 -6.532 6.534 1.00 0.00 C ATOM 1191 CE3 TRP A 113 4.652 -4.696 8.097 1.00 0.00 C ATOM 1192 CZ2 TRP A 113 5.140 -7.426 7.547 1.00 0.00 C ATOM 1193 CZ3 TRP A 113 4.987 -5.585 9.101 1.00 0.00 C ATOM 1194 CH2 TRP A 113 5.228 -6.936 8.821 1.00 0.00 C ATOM 0 H TRP A 113 4.351 -0.626 4.035 1.00 0.00 H new ATOM 0 HA TRP A 113 5.742 -2.279 6.049 1.00 0.00 H new ATOM 0 HB2 TRP A 113 3.304 -2.749 6.122 1.00 0.00 H new ATOM 0 HB3 TRP A 113 3.297 -3.034 4.393 1.00 0.00 H new ATOM 0 HD1 TRP A 113 4.123 -5.414 3.536 1.00 0.00 H new ATOM 0 HE1 TRP A 113 4.761 -7.630 4.707 1.00 0.00 H new ATOM 0 HE3 TRP A 113 4.468 -3.656 8.322 1.00 0.00 H new ATOM 0 HZ2 TRP A 113 5.325 -8.469 7.334 1.00 0.00 H new ATOM 0 HZ3 TRP A 113 5.064 -5.232 10.119 1.00 0.00 H new ATOM 0 HH2 TRP A 113 5.489 -7.605 9.628 1.00 0.00 H new ATOM 1205 N CYS A 114 7.024 -3.501 4.305 1.00 0.00 N ATOM 1206 CA CYS A 114 7.928 -4.056 3.303 1.00 0.00 C ATOM 1207 C CYS A 114 7.777 -5.575 3.228 1.00 0.00 C ATOM 1208 O CYS A 114 8.119 -6.287 4.174 1.00 0.00 O ATOM 1209 CB CYS A 114 9.375 -3.694 3.636 1.00 0.00 C ATOM 1210 SG CYS A 114 10.533 -3.971 2.278 1.00 0.00 S ATOM 0 H CYS A 114 7.248 -3.767 5.264 1.00 0.00 H new ATOM 0 HA CYS A 114 7.669 -3.629 2.334 1.00 0.00 H new ATOM 0 HB2 CYS A 114 9.418 -2.645 3.928 1.00 0.00 H new ATOM 0 HB3 CYS A 114 9.696 -4.279 4.498 1.00 0.00 H new ATOM 1215 N TYR A 115 7.253 -6.061 2.105 1.00 0.00 N ATOM 1216 CA TYR A 115 7.047 -7.495 1.913 1.00 0.00 C ATOM 1217 C TYR A 115 8.373 -8.240 1.775 1.00 0.00 C ATOM 1218 O TYR A 115 8.546 -9.322 2.334 1.00 0.00 O ATOM 1219 CB TYR A 115 6.183 -7.748 0.675 1.00 0.00 C ATOM 1220 CG TYR A 115 4.708 -7.503 0.903 1.00 0.00 C ATOM 1221 CD1 TYR A 115 3.953 -6.784 -0.015 1.00 0.00 C ATOM 1222 CD2 TYR A 115 4.071 -7.992 2.036 1.00 0.00 C ATOM 1223 CE1 TYR A 115 2.605 -6.558 0.190 1.00 0.00 C ATOM 1224 CE2 TYR A 115 2.723 -7.771 2.249 1.00 0.00 C ATOM 1225 CZ TYR A 115 1.995 -7.055 1.323 1.00 0.00 C ATOM 1226 OH TYR A 115 0.654 -6.833 1.529 1.00 0.00 O ATOM 0 H TYR A 115 6.964 -5.484 1.315 1.00 0.00 H new ATOM 0 HA TYR A 115 6.535 -7.873 2.798 1.00 0.00 H new ATOM 0 HB2 TYR A 115 6.528 -7.106 -0.135 1.00 0.00 H new ATOM 0 HB3 TYR A 115 6.325 -8.778 0.348 1.00 0.00 H new ATOM 0 HD1 TYR A 115 4.427 -6.395 -0.904 1.00 0.00 H new ATOM 0 HD2 TYR A 115 4.638 -8.554 2.763 1.00 0.00 H new ATOM 0 HE1 TYR A 115 2.033 -5.996 -0.533 1.00 0.00 H new ATOM 0 HE2 TYR A 115 2.243 -8.157 3.136 1.00 0.00 H new ATOM 0 HH TYR A 115 0.379 -7.250 2.372 1.00 0.00 H new ATOM 1236 N ALA A 116 9.304 -7.658 1.025 1.00 0.00 N ATOM 1237 CA ALA A 116 10.608 -8.277 0.815 1.00 0.00 C ATOM 1238 C ALA A 116 11.349 -8.455 2.133 1.00 0.00 C ATOM 1239 O ALA A 116 11.799 -9.552 2.463 1.00 0.00 O ATOM 1240 CB ALA A 116 11.437 -7.447 -0.152 1.00 0.00 C ATOM 0 H ALA A 116 9.180 -6.762 0.554 1.00 0.00 H new ATOM 0 HA ALA A 116 10.448 -9.265 0.383 1.00 0.00 H new ATOM 0 HB1 ALA A 116 12.407 -7.921 -0.299 1.00 0.00 H new ATOM 0 HB2 ALA A 116 10.919 -7.377 -1.108 1.00 0.00 H new ATOM 0 HB3 ALA A 116 11.580 -6.447 0.257 1.00 0.00 H new ATOM 1246 N CYS A 117 11.465 -7.369 2.888 1.00 0.00 N ATOM 1247 CA CYS A 117 12.144 -7.404 4.176 1.00 0.00 C ATOM 1248 C CYS A 117 11.321 -8.191 5.190 1.00 0.00 C ATOM 1249 O CYS A 117 11.868 -8.811 6.103 1.00 0.00 O ATOM 1250 CB CYS A 117 12.389 -5.984 4.690 1.00 0.00 C ATOM 1251 SG CYS A 117 13.879 -5.204 4.027 1.00 0.00 S ATOM 0 H CYS A 117 11.097 -6.453 2.630 1.00 0.00 H new ATOM 0 HA CYS A 117 13.106 -7.900 4.043 1.00 0.00 H new ATOM 0 HB2 CYS A 117 11.527 -5.365 4.441 1.00 0.00 H new ATOM 0 HB3 CYS A 117 12.459 -6.010 5.777 1.00 0.00 H new ATOM 1256 N SER A 118 10.000 -8.161 5.019 1.00 0.00 N ATOM 1257 CA SER A 118 9.085 -8.867 5.913 1.00 0.00 C ATOM 1258 C SER A 118 8.931 -8.117 7.231 1.00 0.00 C ATOM 1259 O SER A 118 9.096 -8.691 8.309 1.00 0.00 O ATOM 1260 CB SER A 118 9.575 -10.296 6.172 1.00 0.00 C ATOM 1261 OG SER A 118 8.499 -11.217 6.140 1.00 0.00 O ATOM 0 H SER A 118 9.538 -7.652 4.265 1.00 0.00 H new ATOM 0 HA SER A 118 8.111 -8.916 5.427 1.00 0.00 H new ATOM 0 HB2 SER A 118 10.316 -10.571 5.422 1.00 0.00 H new ATOM 0 HB3 SER A 118 10.070 -10.344 7.142 1.00 0.00 H new ATOM 0 HG SER A 118 8.838 -12.121 6.306 1.00 0.00 H new ATOM 1267 N LYS A 119 8.613 -6.831 7.139 1.00 0.00 N ATOM 1268 CA LYS A 119 8.436 -6.002 8.326 1.00 0.00 C ATOM 1269 C LYS A 119 7.992 -4.593 7.948 1.00 0.00 C ATOM 1270 O LYS A 119 8.002 -4.223 6.774 1.00 0.00 O ATOM 1271 CB LYS A 119 9.737 -5.941 9.129 1.00 0.00 C ATOM 1272 CG LYS A 119 10.937 -5.490 8.309 1.00 0.00 C ATOM 1273 CD LYS A 119 12.151 -6.370 8.564 1.00 0.00 C ATOM 1274 CE LYS A 119 13.060 -5.769 9.625 1.00 0.00 C ATOM 1275 NZ LYS A 119 14.493 -6.084 9.371 1.00 0.00 N ATOM 0 H LYS A 119 8.473 -6.340 6.256 1.00 0.00 H new ATOM 0 HA LYS A 119 7.657 -6.455 8.940 1.00 0.00 H new ATOM 0 HB2 LYS A 119 9.604 -5.259 9.969 1.00 0.00 H new ATOM 0 HB3 LYS A 119 9.943 -6.926 9.547 1.00 0.00 H new ATOM 0 HG2 LYS A 119 10.685 -5.515 7.249 1.00 0.00 H new ATOM 0 HG3 LYS A 119 11.178 -4.456 8.554 1.00 0.00 H new ATOM 0 HD2 LYS A 119 11.824 -7.360 8.881 1.00 0.00 H new ATOM 0 HD3 LYS A 119 12.709 -6.501 7.637 1.00 0.00 H new ATOM 0 HE2 LYS A 119 12.925 -4.688 9.649 1.00 0.00 H new ATOM 0 HE3 LYS A 119 12.773 -6.148 10.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 15.080 -5.657 10.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 14.627 -7.115 9.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 14.774 -5.700 8.446 1.00 0.00 H new ATOM 1289 N GLU A 120 7.605 -3.811 8.951 1.00 0.00 N ATOM 1290 CA GLU A 120 7.158 -2.442 8.723 1.00 0.00 C ATOM 1291 C GLU A 120 8.348 -1.490 8.643 1.00 0.00 C ATOM 1292 O GLU A 120 9.279 -1.576 9.444 1.00 0.00 O ATOM 1293 CB GLU A 120 6.205 -2.001 9.835 1.00 0.00 C ATOM 1294 CG GLU A 120 6.870 -1.873 11.196 1.00 0.00 C ATOM 1295 CD GLU A 120 7.239 -0.441 11.532 1.00 0.00 C ATOM 1296 OE1 GLU A 120 8.438 -0.174 11.756 1.00 0.00 O ATOM 1297 OE2 GLU A 120 6.330 0.414 11.568 1.00 0.00 O ATOM 0 H GLU A 120 7.592 -4.102 9.929 1.00 0.00 H new ATOM 0 HA GLU A 120 6.627 -2.411 7.771 1.00 0.00 H new ATOM 0 HB2 GLU A 120 5.764 -1.041 9.564 1.00 0.00 H new ATOM 0 HB3 GLU A 120 5.387 -2.718 9.906 1.00 0.00 H new ATOM 0 HG2 GLU A 120 6.199 -2.261 11.962 1.00 0.00 H new ATOM 0 HG3 GLU A 120 7.768 -2.490 11.217 1.00 0.00 H new ATOM 1304 N VAL A 121 8.311 -0.584 7.673 1.00 0.00 N ATOM 1305 CA VAL A 121 9.387 0.383 7.488 1.00 0.00 C ATOM 1306 C VAL A 121 8.848 1.809 7.469 1.00 0.00 C ATOM 1307 O VAL A 121 7.639 2.026 7.394 1.00 0.00 O ATOM 1308 CB VAL A 121 10.159 0.121 6.182 1.00 0.00 C ATOM 1309 CG1 VAL A 121 11.090 -1.072 6.340 1.00 0.00 C ATOM 1310 CG2 VAL A 121 9.195 -0.096 5.023 1.00 0.00 C ATOM 0 H VAL A 121 7.547 -0.499 7.002 1.00 0.00 H new ATOM 0 HA VAL A 121 10.066 0.265 8.333 1.00 0.00 H new ATOM 0 HB VAL A 121 10.766 0.999 5.960 1.00 0.00 H new ATOM 0 HG11 VAL A 121 11.627 -1.241 5.406 1.00 0.00 H new ATOM 0 HG12 VAL A 121 11.805 -0.872 7.138 1.00 0.00 H new ATOM 0 HG13 VAL A 121 10.507 -1.958 6.589 1.00 0.00 H new ATOM 0 HG21 VAL A 121 9.760 -0.280 4.109 1.00 0.00 H new ATOM 0 HG22 VAL A 121 8.559 -0.955 5.235 1.00 0.00 H new ATOM 0 HG23 VAL A 121 8.575 0.791 4.894 1.00 0.00 H new ATOM 1320 N PHE A 122 9.755 2.779 7.536 1.00 0.00 N ATOM 1321 CA PHE A 122 9.373 4.186 7.525 1.00 0.00 C ATOM 1322 C PHE A 122 10.066 4.928 6.387 1.00 0.00 C ATOM 1323 O PHE A 122 11.268 4.775 6.175 1.00 0.00 O ATOM 1324 CB PHE A 122 9.722 4.842 8.863 1.00 0.00 C ATOM 1325 CG PHE A 122 11.172 4.712 9.233 1.00 0.00 C ATOM 1326 CD1 PHE A 122 11.676 3.508 9.699 1.00 0.00 C ATOM 1327 CD2 PHE A 122 12.030 5.793 9.115 1.00 0.00 C ATOM 1328 CE1 PHE A 122 13.010 3.386 10.040 1.00 0.00 C ATOM 1329 CE2 PHE A 122 13.364 5.677 9.455 1.00 0.00 C ATOM 1330 CZ PHE A 122 13.855 4.472 9.918 1.00 0.00 C ATOM 0 H PHE A 122 10.760 2.616 7.598 1.00 0.00 H new ATOM 0 HA PHE A 122 8.296 4.243 7.370 1.00 0.00 H new ATOM 0 HB2 PHE A 122 9.459 5.899 8.820 1.00 0.00 H new ATOM 0 HB3 PHE A 122 9.113 4.394 9.648 1.00 0.00 H new ATOM 0 HD1 PHE A 122 11.019 2.656 9.797 1.00 0.00 H new ATOM 0 HD2 PHE A 122 11.652 6.738 8.753 1.00 0.00 H new ATOM 0 HE1 PHE A 122 13.391 2.442 10.402 1.00 0.00 H new ATOM 0 HE2 PHE A 122 14.022 6.528 9.359 1.00 0.00 H new ATOM 0 HZ PHE A 122 14.898 4.379 10.184 1.00 0.00 H new ATOM 1340 N LEU A 123 9.299 5.731 5.656 1.00 0.00 N ATOM 1341 CA LEU A 123 9.841 6.496 4.540 1.00 0.00 C ATOM 1342 C LEU A 123 10.481 7.792 5.028 1.00 0.00 C ATOM 1343 O LEU A 123 10.014 8.404 5.988 1.00 0.00 O ATOM 1344 CB LEU A 123 8.738 6.805 3.524 1.00 0.00 C ATOM 1345 CG LEU A 123 8.649 5.833 2.346 1.00 0.00 C ATOM 1346 CD1 LEU A 123 9.835 6.018 1.410 1.00 0.00 C ATOM 1347 CD2 LEU A 123 8.579 4.395 2.843 1.00 0.00 C ATOM 0 H LEU A 123 8.301 5.868 5.817 1.00 0.00 H new ATOM 0 HA LEU A 123 10.611 5.894 4.057 1.00 0.00 H new ATOM 0 HB2 LEU A 123 7.779 6.811 4.043 1.00 0.00 H new ATOM 0 HB3 LEU A 123 8.896 7.810 3.134 1.00 0.00 H new ATOM 0 HG LEU A 123 7.736 6.049 1.791 1.00 0.00 H new ATOM 0 HD11 LEU A 123 9.755 5.318 0.578 1.00 0.00 H new ATOM 0 HD12 LEU A 123 9.840 7.038 1.027 1.00 0.00 H new ATOM 0 HD13 LEU A 123 10.761 5.830 1.954 1.00 0.00 H new ATOM 0 HD21 LEU A 123 8.516 3.718 1.991 1.00 0.00 H new ATOM 0 HD22 LEU A 123 9.473 4.166 3.423 1.00 0.00 H new ATOM 0 HD23 LEU A 123 7.697 4.270 3.472 1.00 0.00 H new ATOM 1359 N ASP A 124 11.553 8.203 4.359 1.00 0.00 N ATOM 1360 CA ASP A 124 12.259 9.426 4.723 1.00 0.00 C ATOM 1361 C ASP A 124 13.162 9.892 3.585 1.00 0.00 C ATOM 1362 O ASP A 124 14.067 9.171 3.163 1.00 0.00 O ATOM 1363 CB ASP A 124 13.087 9.205 5.990 1.00 0.00 C ATOM 1364 CG ASP A 124 14.065 8.055 5.847 1.00 0.00 C ATOM 1365 OD1 ASP A 124 15.240 8.313 5.510 1.00 0.00 O ATOM 1366 OD2 ASP A 124 13.657 6.896 6.072 1.00 0.00 O ATOM 0 H ASP A 124 11.952 7.707 3.562 1.00 0.00 H new ATOM 0 HA ASP A 124 11.517 10.201 4.914 1.00 0.00 H new ATOM 0 HB2 ASP A 124 13.635 10.117 6.227 1.00 0.00 H new ATOM 0 HB3 ASP A 124 12.419 9.008 6.828 1.00 0.00 H new ATOM 1371 N ARG A 125 12.909 11.101 3.095 1.00 0.00 N ATOM 1372 CA ARG A 125 13.699 11.665 2.006 1.00 0.00 C ATOM 1373 C ARG A 125 14.689 12.697 2.532 1.00 0.00 C ATOM 1374 O ARG A 125 15.821 12.786 2.057 1.00 0.00 O ATOM 1375 CB ARG A 125 12.782 12.305 0.964 1.00 0.00 C ATOM 1376 CG ARG A 125 11.925 11.301 0.205 1.00 0.00 C ATOM 1377 CD ARG A 125 10.443 11.631 0.307 1.00 0.00 C ATOM 1378 NE ARG A 125 9.909 12.144 -0.954 1.00 0.00 N ATOM 1379 CZ ARG A 125 9.974 13.421 -1.327 1.00 0.00 C ATOM 1380 NH1 ARG A 125 10.547 14.323 -0.540 1.00 0.00 N ATOM 1381 NH2 ARG A 125 9.463 13.796 -2.491 1.00 0.00 N ATOM 0 H ARG A 125 12.164 11.709 3.434 1.00 0.00 H new ATOM 0 HA ARG A 125 14.260 10.856 1.538 1.00 0.00 H new ATOM 0 HB2 ARG A 125 12.130 13.025 1.459 1.00 0.00 H new ATOM 0 HB3 ARG A 125 13.390 12.863 0.252 1.00 0.00 H new ATOM 0 HG2 ARG A 125 12.223 11.288 -0.843 1.00 0.00 H new ATOM 0 HG3 ARG A 125 12.102 10.300 0.599 1.00 0.00 H new ATOM 0 HD2 ARG A 125 9.891 10.737 0.597 1.00 0.00 H new ATOM 0 HD3 ARG A 125 10.289 12.370 1.093 1.00 0.00 H new ATOM 0 HE ARG A 125 9.459 11.483 -1.587 1.00 0.00 H new ATOM 0 HH11 ARG A 125 10.941 14.040 0.357 1.00 0.00 H new ATOM 0 HH12 ARG A 125 10.593 15.299 -0.832 1.00 0.00 H new ATOM 0 HH21 ARG A 125 9.021 13.107 -3.100 1.00 0.00 H new ATOM 0 HH22 ARG A 125 9.512 14.774 -2.778 1.00 0.00 H new ATOM 1395 N LYS A 126 14.253 13.476 3.515 1.00 0.00 N ATOM 1396 CA LYS A 126 15.096 14.507 4.108 1.00 0.00 C ATOM 1397 C LYS A 126 14.740 14.723 5.574 1.00 0.00 C ATOM 1398 O LYS A 126 13.565 14.793 5.935 1.00 0.00 O ATOM 1399 CB LYS A 126 14.951 15.820 3.337 1.00 0.00 C ATOM 1400 CG LYS A 126 15.635 15.809 1.979 1.00 0.00 C ATOM 1401 CD LYS A 126 17.148 15.871 2.115 1.00 0.00 C ATOM 1402 CE LYS A 126 17.753 16.887 1.158 1.00 0.00 C ATOM 1403 NZ LYS A 126 17.432 16.572 -0.261 1.00 0.00 N ATOM 0 H LYS A 126 13.319 13.413 3.919 1.00 0.00 H new ATOM 0 HA LYS A 126 16.132 14.172 4.050 1.00 0.00 H new ATOM 0 HB2 LYS A 126 13.891 16.035 3.199 1.00 0.00 H new ATOM 0 HB3 LYS A 126 15.365 16.631 3.936 1.00 0.00 H new ATOM 0 HG2 LYS A 126 15.354 14.906 1.437 1.00 0.00 H new ATOM 0 HG3 LYS A 126 15.287 16.657 1.389 1.00 0.00 H new ATOM 0 HD2 LYS A 126 17.412 16.133 3.140 1.00 0.00 H new ATOM 0 HD3 LYS A 126 17.573 14.887 1.918 1.00 0.00 H new ATOM 0 HE2 LYS A 126 17.381 17.882 1.402 1.00 0.00 H new ATOM 0 HE3 LYS A 126 18.835 16.910 1.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 18.044 17.132 -0.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 17.591 15.559 -0.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 16.436 16.804 -0.451 1.00 0.00 H new ATOM 1417 N LEU A 127 15.762 14.829 6.418 1.00 0.00 N ATOM 1418 CA LEU A 127 15.556 15.037 7.847 1.00 0.00 C ATOM 1419 C LEU A 127 15.522 16.525 8.181 1.00 0.00 C ATOM 1420 O LEU A 127 16.251 17.321 7.589 1.00 0.00 O ATOM 1421 CB LEU A 127 16.660 14.347 8.649 1.00 0.00 C ATOM 1422 CG LEU A 127 16.989 12.921 8.205 1.00 0.00 C ATOM 1423 CD1 LEU A 127 18.409 12.551 8.608 1.00 0.00 C ATOM 1424 CD2 LEU A 127 15.992 11.936 8.794 1.00 0.00 C ATOM 0 H LEU A 127 16.741 14.774 6.137 1.00 0.00 H new ATOM 0 HA LEU A 127 14.594 14.601 8.117 1.00 0.00 H new ATOM 0 HB2 LEU A 127 17.566 14.950 8.584 1.00 0.00 H new ATOM 0 HB3 LEU A 127 16.366 14.326 9.698 1.00 0.00 H new ATOM 0 HG LEU A 127 16.917 12.873 7.118 1.00 0.00 H new ATOM 0 HD11 LEU A 127 18.626 11.533 8.284 1.00 0.00 H new ATOM 0 HD12 LEU A 127 19.112 13.239 8.138 1.00 0.00 H new ATOM 0 HD13 LEU A 127 18.508 12.616 9.692 1.00 0.00 H new ATOM 0 HD21 LEU A 127 16.242 10.926 8.467 1.00 0.00 H new ATOM 0 HD22 LEU A 127 16.031 11.985 9.882 1.00 0.00 H new ATOM 0 HD23 LEU A 127 14.987 12.189 8.455 1.00 0.00 H new ATOM 1436 N GLY A 128 14.671 16.893 9.134 1.00 0.00 N ATOM 1437 CA GLY A 128 14.559 18.285 9.530 1.00 0.00 C ATOM 1438 C GLY A 128 13.891 18.450 10.881 1.00 0.00 C ATOM 1439 O GLY A 128 14.433 19.101 11.774 1.00 0.00 O ATOM 0 H GLY A 128 14.058 16.253 9.638 1.00 0.00 H new ATOM 0 HA2 GLY A 128 15.553 18.732 9.562 1.00 0.00 H new ATOM 0 HA3 GLY A 128 13.989 18.829 8.777 1.00 0.00 H new ATOM 1443 N THR A 129 12.709 17.861 11.031 1.00 0.00 N ATOM 1444 CA THR A 129 11.965 17.945 12.282 1.00 0.00 C ATOM 1445 C THR A 129 11.282 16.620 12.599 1.00 0.00 C ATOM 1446 O THR A 129 11.623 15.950 13.574 1.00 0.00 O ATOM 1447 CB THR A 129 10.925 19.064 12.207 1.00 0.00 C ATOM 1448 OG1 THR A 129 11.419 20.158 11.456 1.00 0.00 O ATOM 1449 CG2 THR A 129 10.510 19.588 13.565 1.00 0.00 C ATOM 0 H THR A 129 12.246 17.320 10.301 1.00 0.00 H new ATOM 0 HA THR A 129 12.671 18.168 13.081 1.00 0.00 H new ATOM 0 HB THR A 129 10.054 18.617 11.727 1.00 0.00 H new ATOM 0 HG1 THR A 129 10.739 20.863 11.418 1.00 0.00 H new ATOM 0 HG21 THR A 129 9.771 20.379 13.439 1.00 0.00 H new ATOM 0 HG22 THR A 129 10.078 18.777 14.151 1.00 0.00 H new ATOM 0 HG23 THR A 129 11.382 19.985 14.084 1.00 0.00 H new ATOM 1457 N GLN A 130 10.319 16.251 11.766 1.00 0.00 N ATOM 1458 CA GLN A 130 9.581 15.007 11.949 1.00 0.00 C ATOM 1459 C GLN A 130 9.511 14.220 10.645 1.00 0.00 C ATOM 1460 O GLN A 130 9.956 13.053 10.633 1.00 0.00 O ATOM 1461 CB GLN A 130 8.169 15.296 12.461 1.00 0.00 C ATOM 1462 CG GLN A 130 7.476 14.079 13.053 1.00 0.00 C ATOM 1463 CD GLN A 130 5.994 14.041 12.734 1.00 0.00 C ATOM 1464 OE1 GLN A 130 5.156 13.963 13.633 1.00 0.00 O ATOM 1465 NE2 GLN A 130 5.663 14.094 11.450 1.00 0.00 N ATOM 1466 OXT GLN A 130 9.009 14.776 9.646 1.00 0.00 O ATOM 0 H GLN A 130 10.029 16.796 10.954 1.00 0.00 H new ATOM 0 HA GLN A 130 10.110 14.405 12.688 1.00 0.00 H new ATOM 0 HB2 GLN A 130 8.219 16.079 13.217 1.00 0.00 H new ATOM 0 HB3 GLN A 130 7.566 15.684 11.640 1.00 0.00 H new ATOM 0 HG2 GLN A 130 7.950 13.174 12.672 1.00 0.00 H new ATOM 0 HG3 GLN A 130 7.612 14.078 14.135 1.00 0.00 H new ATOM 0 HE21 GLN A 130 6.391 14.158 10.738 1.00 0.00 H new ATOM 0 HE22 GLN A 130 4.681 14.071 11.175 1.00 0.00 H new TER 1475 GLN A 130 HETATM 1476 ZN ZN A 131 12.850 -4.052 2.428 1.00 0.00 ZN HETATM 1477 ZN ZN A 132 -9.494 -5.694 -1.982 1.00 0.00 ZN HETATM 1478 ZN ZN A 133 1.614 -0.929 -7.391 1.00 0.00 ZN