USER MOD reduce.3.24.130724 H: found=0, std=0, add=1072, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 1070 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 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 100 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 SER N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 5 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 ASN :FLIP amide:sc= -1.5 F(o=-3.9!,f=-1.5) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= -0.0745 X(o=-0.075,f=-0.052) USER MOD Single : A 11 ASN : amide:sc= -7.12! C(o=-7.1!,f=-13!) USER MOD Single : A 16 MET CE :methyl 136:sc= -6.69! (180deg=-15.7!) USER MOD Single : A 18 GLN : amide:sc= -0.051 K(o=-0.051,f=-1.6!) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 44:sc= 0.588 USER MOD Single : A 28 SER OG : rot 180:sc= -0.575 USER MOD Single : A 34 TYR OH : rot 127:sc= 2.2 USER MOD Single : A 35 ASN : amide:sc= -0.0428 X(o=-0.043,f=-0.33) USER MOD Single : A 38 LYS NZ :NH3+ -156:sc= -0.023 (180deg=-0.702) USER MOD Single : A 41 TYR OH : rot 159:sc= -1.7 USER MOD Single : A 43 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=-0.046) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 ASN :FLIP amide:sc= -1.17 F(o=-3.6!,f=-1.2) USER MOD Single : A 69 HIS :FLIP no HD1:sc= -0.316 F(o=-0.9,f=-0.32) USER MOD Single : A 70 HIS : no HE2:sc= -2.31! C(o=-2.3!,f=-3.3!) USER MOD Single : A 72 ASN :FLIP amide:sc= -0.464! F(o=-1.5,f=-0.46!) USER MOD Single : A 74 LYS NZ :NH3+ -150:sc= -0.169 (180deg=-0.81) USER MOD Single : A 78 MET CE :methyl -114:sc= -11.9! (180deg=-22.3!) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 HIS : no HE2:sc= -0.922 K(o=-0.92,f=-4.1!) USER MOD Single : A 85 THR OG1 : rot 180:sc= -1.46 USER MOD Single : A 86 MET CE :methyl -147:sc= -4.71! (180deg=-7.08!) USER MOD Single : A 88 GLN :FLIP amide:sc= -0.105 F(o=-3.3,f=-0.11) USER MOD Single : A 89 GLN : amide:sc= -0.524 K(o=-0.52,f=-2.7!) USER MOD Single : A 95 HIS : no HD1:sc= -5.46! C(o=-5.5!,f=-6.2!) USER MOD Single : A 104 ASN : amide:sc= -0.155 K(o=-0.16,f=-4.1!) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 MET CE :methyl -176:sc= 0 (180deg=-0.0284) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 THR OG1 : rot 180:sc= 0 USER MOD Single : A 116 MET CE :methyl -162:sc= -1.64 (180deg=-3.76) USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 LYS NZ :NH3+ 158:sc= -0.013 (180deg=-0.469) USER MOD Single : A 123 HIS : no HD1:sc= -5.08! C(o=-5.1!,f=-5.3!) USER MOD Single : A 124 LYS NZ :NH3+ -129:sc= -0.233 (180deg=-1.17) USER MOD Single : A 126 ASN : amide:sc= -0.0218 X(o=-0.022,f=-0.014) USER MOD Single : A 130 ASN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 131 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -10.258 -12.611 -14.926 1.00 0.00 N ATOM 2 CA SER A 1 -10.145 -11.380 -14.163 1.00 0.00 C ATOM 3 C SER A 1 -9.381 -11.637 -12.863 1.00 0.00 C ATOM 4 O SER A 1 -9.913 -12.245 -11.936 1.00 0.00 O ATOM 5 CB SER A 1 -11.526 -10.792 -13.860 1.00 0.00 C ATOM 6 OG SER A 1 -12.087 -10.138 -14.994 1.00 0.00 O ATOM 0 H1 SER A 1 -10.778 -12.427 -15.807 1.00 0.00 H new ATOM 0 H2 SER A 1 -9.308 -12.967 -15.153 1.00 0.00 H new ATOM 0 H3 SER A 1 -10.769 -13.322 -14.365 1.00 0.00 H new ATOM 0 HA SER A 1 -9.594 -10.655 -14.763 1.00 0.00 H new ATOM 0 HB2 SER A 1 -12.195 -11.588 -13.532 1.00 0.00 H new ATOM 0 HB3 SER A 1 -11.446 -10.083 -13.036 1.00 0.00 H new ATOM 0 HG SER A 1 -12.968 -9.778 -14.761 1.00 0.00 H new ATOM 12 N PRO A 2 -8.112 -11.149 -12.836 1.00 0.00 N ATOM 13 CA PRO A 2 -7.269 -11.319 -11.664 1.00 0.00 C ATOM 14 C PRO A 2 -7.695 -10.373 -10.540 1.00 0.00 C ATOM 15 O PRO A 2 -8.778 -9.794 -10.589 1.00 0.00 O ATOM 16 CB PRO A 2 -5.855 -11.059 -12.157 1.00 0.00 C ATOM 17 CG PRO A 2 -6.002 -10.301 -13.466 1.00 0.00 C ATOM 18 CD PRO A 2 -7.449 -10.423 -13.915 1.00 0.00 C ATOM 0 HA PRO A 2 -7.348 -12.315 -11.229 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -5.289 -10.477 -11.430 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -5.315 -11.994 -12.306 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -5.730 -9.254 -13.333 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -5.332 -10.711 -14.222 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -7.900 -9.443 -14.068 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -7.526 -10.961 -14.860 1.00 0.00 H new ATOM 26 N GLU A 3 -6.819 -10.247 -9.554 1.00 0.00 N ATOM 27 CA GLU A 3 -7.091 -9.382 -8.418 1.00 0.00 C ATOM 28 C GLU A 3 -7.399 -7.961 -8.896 1.00 0.00 C ATOM 29 O GLU A 3 -8.084 -7.206 -8.208 1.00 0.00 O ATOM 30 CB GLU A 3 -5.921 -9.386 -7.434 1.00 0.00 C ATOM 31 CG GLU A 3 -5.965 -10.624 -6.533 1.00 0.00 C ATOM 32 CD GLU A 3 -5.566 -11.880 -7.309 1.00 0.00 C ATOM 33 OE1 GLU A 3 -6.397 -12.332 -8.126 1.00 0.00 O ATOM 34 OE2 GLU A 3 -4.437 -12.360 -7.068 1.00 0.00 O ATOM 0 H GLU A 3 -5.921 -10.729 -9.518 1.00 0.00 H new ATOM 0 HA GLU A 3 -7.966 -9.767 -7.894 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -4.980 -9.365 -7.983 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -5.953 -8.485 -6.822 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -5.293 -10.486 -5.686 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -6.969 -10.747 -6.126 1.00 0.00 H new ATOM 41 N ILE A 4 -6.879 -7.640 -10.072 1.00 0.00 N ATOM 42 CA ILE A 4 -7.090 -6.323 -10.649 1.00 0.00 C ATOM 43 C ILE A 4 -8.591 -6.032 -10.706 1.00 0.00 C ATOM 44 O ILE A 4 -9.045 -4.996 -10.219 1.00 0.00 O ATOM 45 CB ILE A 4 -6.390 -6.215 -12.005 1.00 0.00 C ATOM 46 CG1 ILE A 4 -5.003 -6.859 -11.960 1.00 0.00 C ATOM 47 CG2 ILE A 4 -6.333 -4.761 -12.478 1.00 0.00 C ATOM 48 CD1 ILE A 4 -4.245 -6.438 -10.700 1.00 0.00 C ATOM 0 H ILE A 4 -6.312 -8.269 -10.641 1.00 0.00 H new ATOM 0 HA ILE A 4 -6.639 -5.554 -10.022 1.00 0.00 H new ATOM 0 HB ILE A 4 -6.977 -6.769 -12.737 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -5.101 -7.944 -11.984 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -4.435 -6.570 -12.844 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -5.831 -4.712 -13.444 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -7.346 -4.370 -12.576 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -5.782 -4.163 -11.752 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -3.262 -6.909 -10.692 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -4.128 -5.354 -10.691 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -4.804 -6.750 -9.818 1.00 0.00 H new ATOM 60 N MET A 5 -9.321 -6.962 -11.304 1.00 0.00 N ATOM 61 CA MET A 5 -10.761 -6.817 -11.431 1.00 0.00 C ATOM 62 C MET A 5 -11.469 -7.241 -10.145 1.00 0.00 C ATOM 63 O MET A 5 -12.695 -7.183 -10.058 1.00 0.00 O ATOM 64 CB MET A 5 -11.260 -7.675 -12.596 1.00 0.00 C ATOM 65 CG MET A 5 -11.801 -6.799 -13.728 1.00 0.00 C ATOM 66 SD MET A 5 -13.573 -6.635 -13.578 1.00 0.00 S ATOM 67 CE MET A 5 -13.776 -4.948 -14.121 1.00 0.00 C ATOM 0 H MET A 5 -8.942 -7.819 -11.706 1.00 0.00 H new ATOM 0 HA MET A 5 -10.987 -5.767 -11.619 1.00 0.00 H new ATOM 0 HB2 MET A 5 -10.446 -8.297 -12.969 1.00 0.00 H new ATOM 0 HB3 MET A 5 -12.042 -8.349 -12.247 1.00 0.00 H new ATOM 0 HG2 MET A 5 -11.332 -5.816 -13.694 1.00 0.00 H new ATOM 0 HG3 MET A 5 -11.548 -7.239 -14.693 1.00 0.00 H new ATOM 0 HE1 MET A 5 -14.832 -4.680 -14.089 1.00 0.00 H new ATOM 0 HE2 MET A 5 -13.213 -4.284 -13.465 1.00 0.00 H new ATOM 0 HE3 MET A 5 -13.407 -4.847 -15.142 1.00 0.00 H new ATOM 77 N LYS A 6 -10.668 -7.661 -9.176 1.00 0.00 N ATOM 78 CA LYS A 6 -11.204 -8.096 -7.897 1.00 0.00 C ATOM 79 C LYS A 6 -10.782 -7.106 -6.809 1.00 0.00 C ATOM 80 O LYS A 6 -9.628 -7.099 -6.384 1.00 0.00 O ATOM 81 CB LYS A 6 -10.792 -9.540 -7.606 1.00 0.00 C ATOM 82 CG LYS A 6 -12.018 -10.455 -7.528 1.00 0.00 C ATOM 83 CD LYS A 6 -11.601 -11.915 -7.344 1.00 0.00 C ATOM 84 CE LYS A 6 -12.037 -12.441 -5.976 1.00 0.00 C ATOM 85 NZ LYS A 6 -13.234 -13.299 -6.108 1.00 0.00 N ATOM 0 H LYS A 6 -9.652 -7.709 -9.251 1.00 0.00 H new ATOM 0 HA LYS A 6 -12.294 -8.099 -7.922 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -10.118 -9.894 -8.386 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -10.241 -9.583 -6.666 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -12.654 -10.147 -6.698 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -12.610 -10.354 -8.438 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -12.044 -12.526 -8.131 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -10.519 -12.003 -7.444 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -11.224 -13.008 -5.522 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -12.253 -11.605 -5.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -13.516 -13.648 -5.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -14.013 -12.747 -6.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -13.016 -14.106 -6.726 1.00 0.00 H new ATOM 99 N ASN A 7 -11.741 -6.294 -6.389 1.00 0.00 N ATOM 100 CA ASN A 7 -11.483 -5.302 -5.359 1.00 0.00 C ATOM 101 C ASN A 7 -12.390 -5.575 -4.156 1.00 0.00 C ATOM 102 O ASN A 7 -13.557 -5.925 -4.320 1.00 0.00 O ATOM 103 CB ASN A 7 -11.784 -3.890 -5.866 1.00 0.00 C ATOM 104 CG ASN A 7 -13.291 -3.646 -5.947 1.00 0.00 C ATOM 105 OD1 ASN A 7 -13.786 -2.963 -4.919 1.00 0.00 O flip ATOM 106 ND2 ASN A 7 -13.962 -4.051 -6.883 1.00 0.00 N flip ATOM 0 H ASN A 7 -12.698 -6.303 -6.743 1.00 0.00 H new ATOM 0 HA ASN A 7 -10.431 -5.369 -5.082 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -11.329 -3.156 -5.201 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -11.336 -3.750 -6.850 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -13.519 -4.570 -7.641 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -14.966 -3.871 -6.907 1.00 0.00 H new ATOM 113 N LEU A 8 -11.816 -5.403 -2.974 1.00 0.00 N ATOM 114 CA LEU A 8 -12.558 -5.627 -1.744 1.00 0.00 C ATOM 115 C LEU A 8 -13.759 -4.679 -1.698 1.00 0.00 C ATOM 116 O LEU A 8 -13.949 -3.869 -2.603 1.00 0.00 O ATOM 117 CB LEU A 8 -11.633 -5.506 -0.531 1.00 0.00 C ATOM 118 CG LEU A 8 -12.152 -6.117 0.773 1.00 0.00 C ATOM 119 CD1 LEU A 8 -11.086 -6.992 1.431 1.00 0.00 C ATOM 120 CD2 LEU A 8 -12.667 -5.030 1.720 1.00 0.00 C ATOM 0 H LEU A 8 -10.847 -5.112 -2.842 1.00 0.00 H new ATOM 0 HA LEU A 8 -12.952 -6.643 -1.716 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -10.681 -5.978 -0.776 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -11.430 -4.449 -0.358 1.00 0.00 H new ATOM 0 HG LEU A 8 -12.996 -6.764 0.535 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -11.481 -7.414 2.355 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -10.809 -7.799 0.753 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -10.207 -6.388 1.654 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -13.030 -5.490 2.639 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -11.857 -4.339 1.955 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -13.481 -4.486 1.241 1.00 0.00 H new ATOM 132 N SER A 9 -14.538 -4.815 -0.634 1.00 0.00 N ATOM 133 CA SER A 9 -15.715 -3.982 -0.459 1.00 0.00 C ATOM 134 C SER A 9 -15.350 -2.509 -0.670 1.00 0.00 C ATOM 135 O SER A 9 -15.459 -1.993 -1.781 1.00 0.00 O ATOM 136 CB SER A 9 -16.330 -4.182 0.928 1.00 0.00 C ATOM 137 OG SER A 9 -16.936 -5.465 1.062 1.00 0.00 O ATOM 0 H SER A 9 -14.377 -5.489 0.114 1.00 0.00 H new ATOM 0 HA SER A 9 -16.456 -4.277 -1.202 1.00 0.00 H new ATOM 0 HB2 SER A 9 -15.557 -4.065 1.688 1.00 0.00 H new ATOM 0 HB3 SER A 9 -17.076 -3.408 1.109 1.00 0.00 H new ATOM 0 HG SER A 9 -17.316 -5.555 1.961 1.00 0.00 H new ATOM 143 N ASN A 10 -14.926 -1.877 0.414 1.00 0.00 N ATOM 144 CA ASN A 10 -14.545 -0.476 0.360 1.00 0.00 C ATOM 145 C ASN A 10 -13.068 -0.339 0.734 1.00 0.00 C ATOM 146 O ASN A 10 -12.349 0.473 0.152 1.00 0.00 O ATOM 147 CB ASN A 10 -15.362 0.355 1.352 1.00 0.00 C ATOM 148 CG ASN A 10 -16.793 0.554 0.852 1.00 0.00 C ATOM 149 OD1 ASN A 10 -17.583 -0.372 0.764 1.00 0.00 O ATOM 150 ND2 ASN A 10 -17.084 1.811 0.528 1.00 0.00 N ATOM 0 H ASN A 10 -14.838 -2.309 1.334 1.00 0.00 H new ATOM 0 HA ASN A 10 -14.729 -0.115 -0.652 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -15.378 -0.142 2.322 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -14.886 1.325 1.498 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -18.014 2.046 0.182 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -16.377 2.540 0.625 1.00 0.00 H new ATOM 157 N ASN A 11 -12.657 -1.145 1.702 1.00 0.00 N ATOM 158 CA ASN A 11 -11.278 -1.125 2.159 1.00 0.00 C ATOM 159 C ASN A 11 -10.354 -0.864 0.969 1.00 0.00 C ATOM 160 O ASN A 11 -9.323 -0.208 1.110 1.00 0.00 O ATOM 161 CB ASN A 11 -10.883 -2.466 2.779 1.00 0.00 C ATOM 162 CG ASN A 11 -11.958 -2.958 3.753 1.00 0.00 C ATOM 163 OD1 ASN A 11 -13.144 -2.741 3.568 1.00 0.00 O ATOM 164 ND2 ASN A 11 -11.477 -3.631 4.794 1.00 0.00 N ATOM 0 H ASN A 11 -13.256 -1.817 2.183 1.00 0.00 H new ATOM 0 HA ASN A 11 -11.184 -0.340 2.909 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -10.735 -3.205 1.992 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -9.933 -2.363 3.303 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -12.113 -4.002 5.500 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -10.472 -3.776 4.887 1.00 0.00 H new ATOM 171 N PHE A 12 -10.757 -1.391 -0.178 1.00 0.00 N ATOM 172 CA PHE A 12 -9.978 -1.225 -1.393 1.00 0.00 C ATOM 173 C PHE A 12 -10.735 -0.379 -2.418 1.00 0.00 C ATOM 174 O PHE A 12 -10.348 0.754 -2.702 1.00 0.00 O ATOM 175 CB PHE A 12 -9.747 -2.622 -1.973 1.00 0.00 C ATOM 176 CG PHE A 12 -8.488 -3.314 -1.447 1.00 0.00 C ATOM 177 CD1 PHE A 12 -8.543 -4.047 -0.302 1.00 0.00 C ATOM 178 CD2 PHE A 12 -7.314 -3.196 -2.122 1.00 0.00 C ATOM 179 CE1 PHE A 12 -7.375 -4.690 0.186 1.00 0.00 C ATOM 180 CE2 PHE A 12 -6.145 -3.838 -1.635 1.00 0.00 C ATOM 181 CZ PHE A 12 -6.200 -4.571 -0.490 1.00 0.00 C ATOM 0 H PHE A 12 -11.613 -1.933 -0.291 1.00 0.00 H new ATOM 0 HA PHE A 12 -9.039 -0.719 -1.166 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -10.613 -3.245 -1.748 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -9.681 -2.547 -3.058 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -9.475 -4.140 0.236 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -7.270 -2.613 -3.030 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -7.419 -5.274 1.094 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -5.213 -3.745 -2.173 1.00 0.00 H new ATOM 0 HZ PHE A 12 -5.311 -5.058 -0.118 1.00 0.00 H new ATOM 191 N GLY A 13 -11.802 -0.961 -2.947 1.00 0.00 N ATOM 192 CA GLY A 13 -12.617 -0.276 -3.935 1.00 0.00 C ATOM 193 C GLY A 13 -12.816 1.193 -3.556 1.00 0.00 C ATOM 194 O GLY A 13 -12.898 2.058 -4.427 1.00 0.00 O ATOM 0 H GLY A 13 -12.121 -1.900 -2.709 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -12.141 -0.342 -4.913 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -13.586 -0.769 -4.018 1.00 0.00 H new ATOM 198 N LYS A 14 -12.889 1.432 -2.255 1.00 0.00 N ATOM 199 CA LYS A 14 -13.077 2.782 -1.750 1.00 0.00 C ATOM 200 C LYS A 14 -11.735 3.516 -1.756 1.00 0.00 C ATOM 201 O LYS A 14 -11.620 4.601 -2.322 1.00 0.00 O ATOM 202 CB LYS A 14 -13.754 2.751 -0.379 1.00 0.00 C ATOM 203 CG LYS A 14 -14.388 4.106 -0.050 1.00 0.00 C ATOM 204 CD LYS A 14 -14.406 4.350 1.461 1.00 0.00 C ATOM 205 CE LYS A 14 -13.003 4.211 2.055 1.00 0.00 C ATOM 206 NZ LYS A 14 -12.792 5.213 3.123 1.00 0.00 N ATOM 0 H LYS A 14 -12.821 0.713 -1.535 1.00 0.00 H new ATOM 0 HA LYS A 14 -13.750 3.342 -2.400 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -14.519 1.974 -0.364 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -13.022 2.492 0.386 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -13.831 4.902 -0.544 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -15.405 4.140 -0.440 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -14.795 5.347 1.667 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -15.080 3.639 1.940 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -12.870 3.207 2.458 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -12.256 4.342 1.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -11.835 5.105 3.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -12.899 6.169 2.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -13.494 5.070 3.877 1.00 0.00 H new ATOM 220 N ALA A 15 -10.754 2.893 -1.121 1.00 0.00 N ATOM 221 CA ALA A 15 -9.423 3.473 -1.047 1.00 0.00 C ATOM 222 C ALA A 15 -8.874 3.660 -2.461 1.00 0.00 C ATOM 223 O ALA A 15 -8.309 4.708 -2.778 1.00 0.00 O ATOM 224 CB ALA A 15 -8.525 2.583 -0.185 1.00 0.00 C ATOM 0 H ALA A 15 -10.853 1.992 -0.653 1.00 0.00 H new ATOM 0 HA ALA A 15 -9.458 4.455 -0.575 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -7.527 3.018 -0.130 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -8.944 2.507 0.818 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -8.464 1.589 -0.629 1.00 0.00 H new ATOM 230 N MET A 16 -9.056 2.632 -3.275 1.00 0.00 N ATOM 231 CA MET A 16 -8.586 2.670 -4.649 1.00 0.00 C ATOM 232 C MET A 16 -9.286 3.778 -5.437 1.00 0.00 C ATOM 233 O MET A 16 -8.661 4.454 -6.255 1.00 0.00 O ATOM 234 CB MET A 16 -8.852 1.320 -5.319 1.00 0.00 C ATOM 235 CG MET A 16 -8.153 0.187 -4.565 1.00 0.00 C ATOM 236 SD MET A 16 -6.384 0.320 -4.766 1.00 0.00 S ATOM 237 CE MET A 16 -6.011 1.482 -3.463 1.00 0.00 C ATOM 0 H MET A 16 -9.524 1.765 -3.009 1.00 0.00 H new ATOM 0 HA MET A 16 -7.516 2.876 -4.641 1.00 0.00 H new ATOM 0 HB2 MET A 16 -9.925 1.132 -5.352 1.00 0.00 H new ATOM 0 HB3 MET A 16 -8.501 1.346 -6.350 1.00 0.00 H new ATOM 0 HG2 MET A 16 -8.411 0.230 -3.507 1.00 0.00 H new ATOM 0 HG3 MET A 16 -8.498 -0.777 -4.939 1.00 0.00 H new ATOM 0 HE1 MET A 16 -5.126 1.149 -2.921 1.00 0.00 H new ATOM 0 HE2 MET A 16 -5.823 2.465 -3.895 1.00 0.00 H new ATOM 0 HE3 MET A 16 -6.856 1.542 -2.777 1.00 0.00 H new ATOM 247 N ASP A 17 -10.574 3.931 -5.167 1.00 0.00 N ATOM 248 CA ASP A 17 -11.365 4.946 -5.841 1.00 0.00 C ATOM 249 C ASP A 17 -10.981 6.326 -5.303 1.00 0.00 C ATOM 250 O ASP A 17 -10.803 7.268 -6.074 1.00 0.00 O ATOM 251 CB ASP A 17 -12.860 4.738 -5.586 1.00 0.00 C ATOM 252 CG ASP A 17 -13.778 5.774 -6.238 1.00 0.00 C ATOM 253 OD1 ASP A 17 -13.928 6.858 -5.636 1.00 0.00 O ATOM 254 OD2 ASP A 17 -14.307 5.457 -7.325 1.00 0.00 O ATOM 0 H ASP A 17 -11.090 3.369 -4.490 1.00 0.00 H new ATOM 0 HA ASP A 17 -11.168 4.873 -6.910 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -13.140 3.748 -5.947 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -13.034 4.746 -4.510 1.00 0.00 H new ATOM 259 N GLN A 18 -10.866 6.401 -3.986 1.00 0.00 N ATOM 260 CA GLN A 18 -10.506 7.651 -3.336 1.00 0.00 C ATOM 261 C GLN A 18 -9.062 8.028 -3.674 1.00 0.00 C ATOM 262 O GLN A 18 -8.761 9.197 -3.913 1.00 0.00 O ATOM 263 CB GLN A 18 -10.710 7.561 -1.823 1.00 0.00 C ATOM 264 CG GLN A 18 -12.081 8.110 -1.421 1.00 0.00 C ATOM 265 CD GLN A 18 -12.151 8.360 0.087 1.00 0.00 C ATOM 266 OE1 GLN A 18 -11.147 8.477 0.769 1.00 0.00 O ATOM 267 NE2 GLN A 18 -13.389 8.434 0.566 1.00 0.00 N ATOM 0 H GLN A 18 -11.015 5.617 -3.351 1.00 0.00 H new ATOM 0 HA GLN A 18 -11.163 8.436 -3.711 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -10.621 6.523 -1.502 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -9.926 8.121 -1.313 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -12.276 9.039 -1.957 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -12.859 7.405 -1.713 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -14.186 8.327 -0.062 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -13.542 8.598 1.561 1.00 0.00 H new ATOM 276 N CYS A 19 -8.207 7.015 -3.683 1.00 0.00 N ATOM 277 CA CYS A 19 -6.802 7.227 -3.987 1.00 0.00 C ATOM 278 C CYS A 19 -6.697 7.795 -5.403 1.00 0.00 C ATOM 279 O CYS A 19 -5.865 8.663 -5.669 1.00 0.00 O ATOM 280 CB CYS A 19 -5.989 5.940 -3.828 1.00 0.00 C ATOM 281 SG CYS A 19 -5.729 5.409 -2.096 1.00 0.00 S ATOM 0 H CYS A 19 -8.460 6.047 -3.485 1.00 0.00 H new ATOM 0 HA CYS A 19 -6.378 7.938 -3.279 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -6.494 5.139 -4.368 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -5.017 6.080 -4.301 1.00 0.00 H new ATOM 286 N LYS A 20 -7.552 7.285 -6.278 1.00 0.00 N ATOM 287 CA LYS A 20 -7.567 7.730 -7.660 1.00 0.00 C ATOM 288 C LYS A 20 -8.049 9.181 -7.719 1.00 0.00 C ATOM 289 O LYS A 20 -8.052 9.795 -8.784 1.00 0.00 O ATOM 290 CB LYS A 20 -8.390 6.773 -8.524 1.00 0.00 C ATOM 291 CG LYS A 20 -7.688 6.492 -9.854 1.00 0.00 C ATOM 292 CD LYS A 20 -8.620 5.761 -10.822 1.00 0.00 C ATOM 293 CE LYS A 20 -8.759 6.533 -12.137 1.00 0.00 C ATOM 294 NZ LYS A 20 -10.174 6.560 -12.573 1.00 0.00 N ATOM 0 H LYS A 20 -8.240 6.566 -6.055 1.00 0.00 H new ATOM 0 HA LYS A 20 -6.560 7.711 -8.076 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -8.548 5.837 -7.987 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -9.374 7.202 -8.712 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -7.358 7.430 -10.300 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -6.796 5.891 -9.679 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -8.232 4.762 -11.022 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -9.601 5.636 -10.364 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -8.392 7.551 -12.009 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -8.144 6.067 -12.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -10.252 7.087 -13.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -10.512 5.587 -12.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -10.753 7.025 -11.845 1.00 0.00 H new ATOM 308 N ASP A 21 -8.445 9.687 -6.560 1.00 0.00 N ATOM 309 CA ASP A 21 -8.929 11.054 -6.465 1.00 0.00 C ATOM 310 C ASP A 21 -7.929 11.890 -5.663 1.00 0.00 C ATOM 311 O ASP A 21 -7.263 12.764 -6.215 1.00 0.00 O ATOM 312 CB ASP A 21 -10.278 11.112 -5.748 1.00 0.00 C ATOM 313 CG ASP A 21 -11.349 11.950 -6.450 1.00 0.00 C ATOM 314 OD1 ASP A 21 -11.386 13.169 -6.176 1.00 0.00 O ATOM 315 OD2 ASP A 21 -12.105 11.352 -7.246 1.00 0.00 O ATOM 0 H ASP A 21 -8.441 9.174 -5.678 1.00 0.00 H new ATOM 0 HA ASP A 21 -9.043 11.443 -7.477 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -10.653 10.096 -5.630 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -10.123 11.513 -4.746 1.00 0.00 H new ATOM 320 N GLU A 22 -7.856 11.590 -4.374 1.00 0.00 N ATOM 321 CA GLU A 22 -6.950 12.303 -3.491 1.00 0.00 C ATOM 322 C GLU A 22 -5.573 12.445 -4.145 1.00 0.00 C ATOM 323 O GLU A 22 -4.980 13.521 -4.122 1.00 0.00 O ATOM 324 CB GLU A 22 -6.844 11.604 -2.135 1.00 0.00 C ATOM 325 CG GLU A 22 -6.707 10.090 -2.307 1.00 0.00 C ATOM 326 CD GLU A 22 -7.801 9.349 -1.536 1.00 0.00 C ATOM 327 OE1 GLU A 22 -8.833 9.995 -1.254 1.00 0.00 O ATOM 328 OE2 GLU A 22 -7.580 8.153 -1.245 1.00 0.00 O ATOM 0 H GLU A 22 -8.410 10.863 -3.921 1.00 0.00 H new ATOM 0 HA GLU A 22 -7.352 13.301 -3.318 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -5.984 11.991 -1.589 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -7.728 11.827 -1.537 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -6.766 9.834 -3.365 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -5.727 9.768 -1.955 1.00 0.00 H new ATOM 335 N LEU A 23 -5.106 11.341 -4.711 1.00 0.00 N ATOM 336 CA LEU A 23 -3.811 11.329 -5.368 1.00 0.00 C ATOM 337 C LEU A 23 -4.009 11.491 -6.877 1.00 0.00 C ATOM 338 O LEU A 23 -3.049 11.718 -7.612 1.00 0.00 O ATOM 339 CB LEU A 23 -3.027 10.074 -4.984 1.00 0.00 C ATOM 340 CG LEU A 23 -3.242 9.558 -3.558 1.00 0.00 C ATOM 341 CD1 LEU A 23 -2.871 8.078 -3.449 1.00 0.00 C ATOM 342 CD2 LEU A 23 -2.482 10.417 -2.545 1.00 0.00 C ATOM 0 H LEU A 23 -5.602 10.450 -4.728 1.00 0.00 H new ATOM 0 HA LEU A 23 -3.206 12.171 -5.032 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -3.290 9.278 -5.681 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -1.965 10.278 -5.119 1.00 0.00 H new ATOM 0 HG LEU A 23 -4.302 9.642 -3.320 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -3.033 7.737 -2.427 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -3.493 7.496 -4.129 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -1.822 7.945 -3.714 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -2.651 10.030 -1.540 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -1.416 10.388 -2.770 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -2.837 11.446 -2.602 1.00 0.00 H new ATOM 354 N SER A 24 -5.261 11.369 -7.294 1.00 0.00 N ATOM 355 CA SER A 24 -5.597 11.501 -8.702 1.00 0.00 C ATOM 356 C SER A 24 -4.705 10.582 -9.540 1.00 0.00 C ATOM 357 O SER A 24 -4.586 10.763 -10.751 1.00 0.00 O ATOM 358 CB SER A 24 -5.456 12.949 -9.169 1.00 0.00 C ATOM 359 OG SER A 24 -6.637 13.708 -8.923 1.00 0.00 O ATOM 0 H SER A 24 -6.055 11.180 -6.682 1.00 0.00 H new ATOM 0 HA SER A 24 -6.638 11.206 -8.835 1.00 0.00 H new ATOM 0 HB2 SER A 24 -4.613 13.414 -8.658 1.00 0.00 H new ATOM 0 HB3 SER A 24 -5.230 12.965 -10.235 1.00 0.00 H new ATOM 0 HG SER A 24 -6.972 13.510 -8.024 1.00 0.00 H new ATOM 365 N LEU A 25 -4.100 9.617 -8.863 1.00 0.00 N ATOM 366 CA LEU A 25 -3.222 8.671 -9.530 1.00 0.00 C ATOM 367 C LEU A 25 -4.063 7.559 -10.160 1.00 0.00 C ATOM 368 O LEU A 25 -5.248 7.422 -9.857 1.00 0.00 O ATOM 369 CB LEU A 25 -2.152 8.160 -8.563 1.00 0.00 C ATOM 370 CG LEU A 25 -2.554 6.978 -7.681 1.00 0.00 C ATOM 371 CD1 LEU A 25 -4.013 7.097 -7.236 1.00 0.00 C ATOM 372 CD2 LEU A 25 -2.277 5.649 -8.385 1.00 0.00 C ATOM 0 H LEU A 25 -4.201 9.470 -7.859 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.680 9.159 -10.340 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -1.274 7.873 -9.142 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -1.852 8.984 -7.916 1.00 0.00 H new ATOM 0 HG LEU A 25 -1.940 7.000 -6.781 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -4.273 6.244 -6.610 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -4.146 8.018 -6.668 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -4.660 7.115 -8.113 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -2.572 4.825 -7.736 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -2.848 5.603 -9.312 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -1.213 5.571 -8.610 1.00 0.00 H new ATOM 384 N PRO A 26 -3.401 6.771 -11.048 1.00 0.00 N ATOM 385 CA PRO A 26 -4.075 5.674 -11.724 1.00 0.00 C ATOM 386 C PRO A 26 -4.281 4.491 -10.776 1.00 0.00 C ATOM 387 O PRO A 26 -3.318 3.935 -10.252 1.00 0.00 O ATOM 388 CB PRO A 26 -3.185 5.336 -12.909 1.00 0.00 C ATOM 389 CG PRO A 26 -1.824 5.937 -12.593 1.00 0.00 C ATOM 390 CD PRO A 26 -1.998 6.902 -11.432 1.00 0.00 C ATOM 0 HA PRO A 26 -5.078 5.939 -12.059 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -3.113 4.257 -13.048 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -3.590 5.750 -13.832 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -1.112 5.154 -12.334 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -1.425 6.456 -13.464 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -1.336 6.649 -10.604 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -1.762 7.924 -11.728 1.00 0.00 H new ATOM 398 N ASP A 27 -5.545 4.140 -10.586 1.00 0.00 N ATOM 399 CA ASP A 27 -5.891 3.033 -9.709 1.00 0.00 C ATOM 400 C ASP A 27 -5.363 1.729 -10.312 1.00 0.00 C ATOM 401 O ASP A 27 -5.509 0.664 -9.715 1.00 0.00 O ATOM 402 CB ASP A 27 -7.408 2.905 -9.558 1.00 0.00 C ATOM 403 CG ASP A 27 -8.141 2.397 -10.802 1.00 0.00 C ATOM 404 OD1 ASP A 27 -7.527 2.462 -11.889 1.00 0.00 O ATOM 405 OD2 ASP A 27 -9.299 1.955 -10.637 1.00 0.00 O ATOM 0 H ASP A 27 -6.342 4.602 -11.024 1.00 0.00 H new ATOM 0 HA ASP A 27 -5.447 3.223 -8.732 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -7.620 2.230 -8.729 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -7.815 3.879 -9.288 1.00 0.00 H new ATOM 410 N SER A 28 -4.763 1.857 -11.485 1.00 0.00 N ATOM 411 CA SER A 28 -4.212 0.703 -12.174 1.00 0.00 C ATOM 412 C SER A 28 -2.832 0.364 -11.607 1.00 0.00 C ATOM 413 O SER A 28 -2.497 -0.807 -11.435 1.00 0.00 O ATOM 414 CB SER A 28 -4.121 0.950 -13.681 1.00 0.00 C ATOM 415 OG SER A 28 -3.426 2.158 -13.982 1.00 0.00 O ATOM 0 H SER A 28 -4.646 2.743 -11.977 1.00 0.00 H new ATOM 0 HA SER A 28 -4.882 -0.142 -12.013 1.00 0.00 H new ATOM 0 HB2 SER A 28 -3.613 0.111 -14.156 1.00 0.00 H new ATOM 0 HB3 SER A 28 -5.125 0.994 -14.103 1.00 0.00 H new ATOM 0 HG SER A 28 -3.387 2.280 -14.954 1.00 0.00 H new ATOM 421 N VAL A 29 -2.066 1.411 -11.334 1.00 0.00 N ATOM 422 CA VAL A 29 -0.730 1.239 -10.793 1.00 0.00 C ATOM 423 C VAL A 29 -0.825 0.596 -9.407 1.00 0.00 C ATOM 424 O VAL A 29 0.020 -0.219 -9.038 1.00 0.00 O ATOM 425 CB VAL A 29 0.006 2.581 -10.779 1.00 0.00 C ATOM 426 CG1 VAL A 29 0.170 3.130 -12.197 1.00 0.00 C ATOM 427 CG2 VAL A 29 -0.712 3.590 -9.879 1.00 0.00 C ATOM 0 H VAL A 29 -2.346 2.381 -11.478 1.00 0.00 H new ATOM 0 HA VAL A 29 -0.146 0.569 -11.424 1.00 0.00 H new ATOM 0 HB VAL A 29 1.001 2.414 -10.367 1.00 0.00 H new ATOM 0 HG11 VAL A 29 0.696 4.084 -12.159 1.00 0.00 H new ATOM 0 HG12 VAL A 29 0.743 2.423 -12.797 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -0.812 3.275 -12.647 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -0.169 4.535 -9.886 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -1.725 3.751 -10.248 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -0.754 3.204 -8.861 1.00 0.00 H new ATOM 437 N VAL A 30 -1.860 0.986 -8.678 1.00 0.00 N ATOM 438 CA VAL A 30 -2.076 0.457 -7.342 1.00 0.00 C ATOM 439 C VAL A 30 -2.647 -0.958 -7.445 1.00 0.00 C ATOM 440 O VAL A 30 -2.383 -1.802 -6.589 1.00 0.00 O ATOM 441 CB VAL A 30 -2.972 1.406 -6.543 1.00 0.00 C ATOM 442 CG1 VAL A 30 -4.414 1.358 -7.050 1.00 0.00 C ATOM 443 CG2 VAL A 30 -2.905 1.093 -5.047 1.00 0.00 C ATOM 0 H VAL A 30 -2.558 1.662 -8.987 1.00 0.00 H new ATOM 0 HA VAL A 30 -1.132 0.388 -6.801 1.00 0.00 H new ATOM 0 HB VAL A 30 -2.600 2.420 -6.690 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -5.029 2.042 -6.464 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -4.441 1.653 -8.099 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -4.802 0.344 -6.949 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -3.551 1.782 -4.502 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -3.238 0.070 -4.874 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -1.879 1.204 -4.698 1.00 0.00 H new ATOM 453 N ALA A 31 -3.421 -1.175 -8.498 1.00 0.00 N ATOM 454 CA ALA A 31 -4.031 -2.474 -8.724 1.00 0.00 C ATOM 455 C ALA A 31 -2.942 -3.493 -9.064 1.00 0.00 C ATOM 456 O ALA A 31 -3.162 -4.699 -8.965 1.00 0.00 O ATOM 457 CB ALA A 31 -5.086 -2.358 -9.827 1.00 0.00 C ATOM 0 H ALA A 31 -3.640 -0.473 -9.205 1.00 0.00 H new ATOM 0 HA ALA A 31 -4.537 -2.821 -7.823 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -5.544 -3.333 -9.997 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -5.853 -1.645 -9.524 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -4.614 -2.014 -10.747 1.00 0.00 H new ATOM 463 N ASP A 32 -1.790 -2.971 -9.461 1.00 0.00 N ATOM 464 CA ASP A 32 -0.666 -3.819 -9.816 1.00 0.00 C ATOM 465 C ASP A 32 -0.187 -4.572 -8.572 1.00 0.00 C ATOM 466 O ASP A 32 0.225 -5.727 -8.662 1.00 0.00 O ATOM 467 CB ASP A 32 0.504 -2.990 -10.345 1.00 0.00 C ATOM 468 CG ASP A 32 1.497 -3.757 -11.221 1.00 0.00 C ATOM 469 OD1 ASP A 32 1.234 -4.956 -11.460 1.00 0.00 O ATOM 470 OD2 ASP A 32 2.494 -3.126 -11.634 1.00 0.00 O ATOM 0 H ASP A 32 -1.612 -1.970 -9.544 1.00 0.00 H new ATOM 0 HA ASP A 32 -0.998 -4.510 -10.591 1.00 0.00 H new ATOM 0 HB2 ASP A 32 0.106 -2.154 -10.920 1.00 0.00 H new ATOM 0 HB3 ASP A 32 1.042 -2.567 -9.497 1.00 0.00 H new ATOM 475 N LEU A 33 -0.260 -3.886 -7.441 1.00 0.00 N ATOM 476 CA LEU A 33 0.161 -4.476 -6.181 1.00 0.00 C ATOM 477 C LEU A 33 -0.507 -5.842 -6.013 1.00 0.00 C ATOM 478 O LEU A 33 0.159 -6.828 -5.702 1.00 0.00 O ATOM 479 CB LEU A 33 -0.109 -3.513 -5.022 1.00 0.00 C ATOM 480 CG LEU A 33 -0.334 -4.157 -3.653 1.00 0.00 C ATOM 481 CD1 LEU A 33 0.992 -4.606 -3.034 1.00 0.00 C ATOM 482 CD2 LEU A 33 -1.112 -3.220 -2.727 1.00 0.00 C ATOM 0 H LEU A 33 -0.604 -2.928 -7.370 1.00 0.00 H new ATOM 0 HA LEU A 33 1.238 -4.645 -6.181 1.00 0.00 H new ATOM 0 HB2 LEU A 33 0.733 -2.825 -4.944 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -0.987 -2.916 -5.269 1.00 0.00 H new ATOM 0 HG LEU A 33 -0.943 -5.050 -3.791 1.00 0.00 H new ATOM 0 HD11 LEU A 33 0.804 -5.060 -2.061 1.00 0.00 H new ATOM 0 HD12 LEU A 33 1.471 -5.334 -3.688 1.00 0.00 H new ATOM 0 HD13 LEU A 33 1.647 -3.743 -2.911 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -1.258 -3.702 -1.761 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -0.551 -2.296 -2.590 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -2.082 -2.994 -3.170 1.00 0.00 H new ATOM 494 N TYR A 34 -1.814 -5.856 -6.227 1.00 0.00 N ATOM 495 CA TYR A 34 -2.579 -7.085 -6.104 1.00 0.00 C ATOM 496 C TYR A 34 -1.940 -8.212 -6.916 1.00 0.00 C ATOM 497 O TYR A 34 -2.066 -9.384 -6.563 1.00 0.00 O ATOM 498 CB TYR A 34 -3.963 -6.779 -6.679 1.00 0.00 C ATOM 499 CG TYR A 34 -5.054 -6.607 -5.620 1.00 0.00 C ATOM 500 CD1 TYR A 34 -5.298 -7.616 -4.712 1.00 0.00 C ATOM 501 CD2 TYR A 34 -5.795 -5.443 -5.575 1.00 0.00 C ATOM 502 CE1 TYR A 34 -6.325 -7.455 -3.715 1.00 0.00 C ATOM 503 CE2 TYR A 34 -6.822 -5.282 -4.577 1.00 0.00 C ATOM 504 CZ TYR A 34 -7.035 -6.296 -3.697 1.00 0.00 C ATOM 505 OH TYR A 34 -8.005 -6.143 -2.756 1.00 0.00 O ATOM 0 H TYR A 34 -2.363 -5.036 -6.485 1.00 0.00 H new ATOM 0 HA TYR A 34 -2.621 -7.409 -5.064 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -3.904 -5.869 -7.276 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -4.251 -7.585 -7.354 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -4.719 -8.527 -4.749 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -5.605 -4.654 -6.287 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -6.526 -8.237 -2.998 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -7.409 -4.377 -4.529 1.00 0.00 H new ATOM 0 HH TYR A 34 -7.862 -5.303 -2.272 1.00 0.00 H new ATOM 515 N ASN A 35 -1.268 -7.820 -7.988 1.00 0.00 N ATOM 516 CA ASN A 35 -0.609 -8.784 -8.852 1.00 0.00 C ATOM 517 C ASN A 35 0.780 -9.097 -8.293 1.00 0.00 C ATOM 518 O ASN A 35 1.036 -10.216 -7.850 1.00 0.00 O ATOM 519 CB ASN A 35 -0.433 -8.224 -10.265 1.00 0.00 C ATOM 520 CG ASN A 35 -0.505 -9.342 -11.309 1.00 0.00 C ATOM 521 OD1 ASN A 35 -1.399 -10.173 -11.306 1.00 0.00 O ATOM 522 ND2 ASN A 35 0.483 -9.315 -12.200 1.00 0.00 N ATOM 0 H ASN A 35 -1.166 -6.847 -8.278 1.00 0.00 H new ATOM 0 HA ASN A 35 -1.228 -9.680 -8.892 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -1.207 -7.483 -10.466 1.00 0.00 H new ATOM 0 HB3 ASN A 35 0.526 -7.712 -10.341 1.00 0.00 H new ATOM 0 HD21 ASN A 35 0.524 -10.018 -12.938 1.00 0.00 H new ATOM 0 HD22 ASN A 35 1.200 -8.591 -12.145 1.00 0.00 H new ATOM 529 N PHE A 36 1.640 -8.090 -8.331 1.00 0.00 N ATOM 530 CA PHE A 36 2.998 -8.244 -7.834 1.00 0.00 C ATOM 531 C PHE A 36 3.863 -7.043 -8.220 1.00 0.00 C ATOM 532 O PHE A 36 4.935 -7.208 -8.801 1.00 0.00 O ATOM 533 CB PHE A 36 3.573 -9.504 -8.486 1.00 0.00 C ATOM 534 CG PHE A 36 3.970 -10.594 -7.490 1.00 0.00 C ATOM 535 CD1 PHE A 36 4.969 -10.366 -6.595 1.00 0.00 C ATOM 536 CD2 PHE A 36 3.324 -11.792 -7.499 1.00 0.00 C ATOM 537 CE1 PHE A 36 5.339 -11.379 -5.671 1.00 0.00 C ATOM 538 CE2 PHE A 36 3.695 -12.805 -6.573 1.00 0.00 C ATOM 539 CZ PHE A 36 4.694 -12.576 -5.679 1.00 0.00 C ATOM 0 H PHE A 36 1.423 -7.163 -8.698 1.00 0.00 H new ATOM 0 HA PHE A 36 2.990 -8.316 -6.746 1.00 0.00 H new ATOM 0 HB2 PHE A 36 2.836 -9.910 -9.179 1.00 0.00 H new ATOM 0 HB3 PHE A 36 4.448 -9.229 -9.075 1.00 0.00 H new ATOM 0 HD1 PHE A 36 5.481 -9.415 -6.587 1.00 0.00 H new ATOM 0 HD2 PHE A 36 2.530 -11.973 -8.209 1.00 0.00 H new ATOM 0 HE1 PHE A 36 6.133 -11.199 -4.962 1.00 0.00 H new ATOM 0 HE2 PHE A 36 3.184 -13.756 -6.579 1.00 0.00 H new ATOM 0 HZ PHE A 36 4.975 -13.345 -4.975 1.00 0.00 H new ATOM 549 N TRP A 37 3.366 -5.863 -7.881 1.00 0.00 N ATOM 550 CA TRP A 37 4.081 -4.635 -8.184 1.00 0.00 C ATOM 551 C TRP A 37 4.993 -4.313 -6.999 1.00 0.00 C ATOM 552 O TRP A 37 5.571 -3.230 -6.933 1.00 0.00 O ATOM 553 CB TRP A 37 3.108 -3.502 -8.516 1.00 0.00 C ATOM 554 CG TRP A 37 3.267 -2.266 -7.629 1.00 0.00 C ATOM 555 CD1 TRP A 37 3.406 -0.989 -8.010 1.00 0.00 C ATOM 556 CD2 TRP A 37 3.298 -2.241 -6.186 1.00 0.00 C ATOM 557 NE1 TRP A 37 3.523 -0.146 -6.924 1.00 0.00 N ATOM 558 CE2 TRP A 37 3.456 -0.932 -5.779 1.00 0.00 C ATOM 559 CE3 TRP A 37 3.195 -3.290 -5.257 1.00 0.00 C ATOM 560 CZ2 TRP A 37 3.526 -0.550 -4.435 1.00 0.00 C ATOM 561 CZ3 TRP A 37 3.267 -2.892 -3.915 1.00 0.00 C ATOM 562 CH2 TRP A 37 3.426 -1.579 -3.490 1.00 0.00 C ATOM 0 H TRP A 37 2.477 -5.731 -7.399 1.00 0.00 H new ATOM 0 HA TRP A 37 4.699 -4.758 -9.074 1.00 0.00 H new ATOM 0 HB2 TRP A 37 3.248 -3.210 -9.557 1.00 0.00 H new ATOM 0 HB3 TRP A 37 2.088 -3.874 -8.424 1.00 0.00 H new ATOM 0 HD1 TRP A 37 3.424 -0.661 -9.039 1.00 0.00 H new ATOM 0 HE1 TRP A 37 3.638 0.867 -6.955 1.00 0.00 H new ATOM 0 HE3 TRP A 37 3.070 -4.321 -5.553 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 3.650 0.482 -4.142 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 3.194 -3.660 -3.159 1.00 0.00 H new ATOM 0 HH2 TRP A 37 3.472 -1.353 -2.435 1.00 0.00 H new ATOM 573 N LYS A 38 5.092 -5.273 -6.092 1.00 0.00 N ATOM 574 CA LYS A 38 5.922 -5.105 -4.910 1.00 0.00 C ATOM 575 C LYS A 38 7.282 -4.541 -5.326 1.00 0.00 C ATOM 576 O LYS A 38 7.718 -3.516 -4.805 1.00 0.00 O ATOM 577 CB LYS A 38 6.014 -6.417 -4.129 1.00 0.00 C ATOM 578 CG LYS A 38 5.165 -6.358 -2.857 1.00 0.00 C ATOM 579 CD LYS A 38 3.800 -7.013 -3.079 1.00 0.00 C ATOM 580 CE LYS A 38 3.483 -8.011 -1.962 1.00 0.00 C ATOM 581 NZ LYS A 38 2.152 -7.730 -1.379 1.00 0.00 N ATOM 0 H LYS A 38 4.611 -6.171 -6.151 1.00 0.00 H new ATOM 0 HA LYS A 38 5.472 -4.385 -4.226 1.00 0.00 H new ATOM 0 HB2 LYS A 38 5.678 -7.242 -4.757 1.00 0.00 H new ATOM 0 HB3 LYS A 38 7.053 -6.617 -3.868 1.00 0.00 H new ATOM 0 HG2 LYS A 38 5.687 -6.862 -2.043 1.00 0.00 H new ATOM 0 HG3 LYS A 38 5.029 -5.320 -2.554 1.00 0.00 H new ATOM 0 HD2 LYS A 38 3.026 -6.246 -3.117 1.00 0.00 H new ATOM 0 HD3 LYS A 38 3.790 -7.524 -4.042 1.00 0.00 H new ATOM 0 HE2 LYS A 38 3.507 -9.027 -2.356 1.00 0.00 H new ATOM 0 HE3 LYS A 38 4.246 -7.952 -1.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 2.111 -8.106 -0.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 1.992 -6.703 -1.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 1.417 -8.184 -1.958 1.00 0.00 H new ATOM 595 N ASP A 39 7.915 -5.235 -6.261 1.00 0.00 N ATOM 596 CA ASP A 39 9.216 -4.816 -6.752 1.00 0.00 C ATOM 597 C ASP A 39 9.120 -3.382 -7.278 1.00 0.00 C ATOM 598 O ASP A 39 10.061 -2.602 -7.138 1.00 0.00 O ATOM 599 CB ASP A 39 9.685 -5.711 -7.902 1.00 0.00 C ATOM 600 CG ASP A 39 8.653 -5.936 -9.009 1.00 0.00 C ATOM 601 OD1 ASP A 39 7.687 -6.682 -8.740 1.00 0.00 O ATOM 602 OD2 ASP A 39 8.854 -5.356 -10.099 1.00 0.00 O ATOM 0 H ASP A 39 7.550 -6.085 -6.691 1.00 0.00 H new ATOM 0 HA ASP A 39 9.926 -4.886 -5.928 1.00 0.00 H new ATOM 0 HB2 ASP A 39 10.579 -5.271 -8.344 1.00 0.00 H new ATOM 0 HB3 ASP A 39 9.975 -6.679 -7.494 1.00 0.00 H new ATOM 607 N ASP A 40 7.976 -3.078 -7.871 1.00 0.00 N ATOM 608 CA ASP A 40 7.745 -1.752 -8.417 1.00 0.00 C ATOM 609 C ASP A 40 7.572 -0.755 -7.270 1.00 0.00 C ATOM 610 O ASP A 40 6.450 -0.454 -6.869 1.00 0.00 O ATOM 611 CB ASP A 40 6.472 -1.720 -9.268 1.00 0.00 C ATOM 612 CG ASP A 40 6.243 -0.418 -10.037 1.00 0.00 C ATOM 613 OD1 ASP A 40 6.785 0.613 -9.584 1.00 0.00 O ATOM 614 OD2 ASP A 40 5.529 -0.483 -11.062 1.00 0.00 O ATOM 0 H ASP A 40 7.198 -3.728 -7.986 1.00 0.00 H new ATOM 0 HA ASP A 40 8.601 -1.490 -9.039 1.00 0.00 H new ATOM 0 HB2 ASP A 40 6.508 -2.544 -9.981 1.00 0.00 H new ATOM 0 HB3 ASP A 40 5.614 -1.897 -8.619 1.00 0.00 H new ATOM 619 N TYR A 41 8.702 -0.270 -6.775 1.00 0.00 N ATOM 620 CA TYR A 41 8.690 0.687 -5.682 1.00 0.00 C ATOM 621 C TYR A 41 8.435 2.106 -6.197 1.00 0.00 C ATOM 622 O TYR A 41 8.577 2.371 -7.390 1.00 0.00 O ATOM 623 CB TYR A 41 10.083 0.627 -5.053 1.00 0.00 C ATOM 624 CG TYR A 41 10.308 1.654 -3.941 1.00 0.00 C ATOM 625 CD1 TYR A 41 9.422 1.735 -2.886 1.00 0.00 C ATOM 626 CD2 TYR A 41 11.398 2.498 -3.993 1.00 0.00 C ATOM 627 CE1 TYR A 41 9.635 2.702 -1.841 1.00 0.00 C ATOM 628 CE2 TYR A 41 11.611 3.465 -2.946 1.00 0.00 C ATOM 629 CZ TYR A 41 10.719 3.519 -1.922 1.00 0.00 C ATOM 630 OH TYR A 41 10.918 4.431 -0.934 1.00 0.00 O ATOM 0 H TYR A 41 9.631 -0.522 -7.111 1.00 0.00 H new ATOM 0 HA TYR A 41 7.900 0.447 -4.971 1.00 0.00 H new ATOM 0 HB2 TYR A 41 10.245 -0.372 -4.649 1.00 0.00 H new ATOM 0 HB3 TYR A 41 10.829 0.781 -5.832 1.00 0.00 H new ATOM 0 HD1 TYR A 41 8.569 1.073 -2.844 1.00 0.00 H new ATOM 0 HD2 TYR A 41 12.092 2.434 -4.818 1.00 0.00 H new ATOM 0 HE1 TYR A 41 8.949 2.777 -1.011 1.00 0.00 H new ATOM 0 HE2 TYR A 41 12.460 4.132 -2.974 1.00 0.00 H new ATOM 0 HH TYR A 41 11.859 4.704 -0.926 1.00 0.00 H new ATOM 640 N VAL A 42 8.066 2.979 -5.273 1.00 0.00 N ATOM 641 CA VAL A 42 7.791 4.363 -5.619 1.00 0.00 C ATOM 642 C VAL A 42 8.799 4.831 -6.669 1.00 0.00 C ATOM 643 O VAL A 42 8.483 5.679 -7.503 1.00 0.00 O ATOM 644 CB VAL A 42 7.798 5.229 -4.357 1.00 0.00 C ATOM 645 CG1 VAL A 42 6.656 4.836 -3.417 1.00 0.00 C ATOM 646 CG2 VAL A 42 9.148 5.148 -3.644 1.00 0.00 C ATOM 0 H VAL A 42 7.951 2.755 -4.285 1.00 0.00 H new ATOM 0 HA VAL A 42 6.797 4.457 -6.057 1.00 0.00 H new ATOM 0 HB VAL A 42 7.642 6.264 -4.660 1.00 0.00 H new ATOM 0 HG11 VAL A 42 6.683 5.466 -2.528 1.00 0.00 H new ATOM 0 HG12 VAL A 42 5.702 4.970 -3.927 1.00 0.00 H new ATOM 0 HG13 VAL A 42 6.768 3.792 -3.125 1.00 0.00 H new ATOM 0 HG21 VAL A 42 9.126 5.772 -2.751 1.00 0.00 H new ATOM 0 HG22 VAL A 42 9.348 4.115 -3.360 1.00 0.00 H new ATOM 0 HG23 VAL A 42 9.934 5.499 -4.313 1.00 0.00 H new ATOM 656 N MET A 43 9.991 4.257 -6.598 1.00 0.00 N ATOM 657 CA MET A 43 11.046 4.605 -7.533 1.00 0.00 C ATOM 658 C MET A 43 10.489 4.784 -8.947 1.00 0.00 C ATOM 659 O MET A 43 11.056 5.520 -9.753 1.00 0.00 O ATOM 660 CB MET A 43 12.108 3.503 -7.538 1.00 0.00 C ATOM 661 CG MET A 43 13.501 4.082 -7.285 1.00 0.00 C ATOM 662 SD MET A 43 13.753 4.323 -5.534 1.00 0.00 S ATOM 663 CE MET A 43 15.537 4.310 -5.473 1.00 0.00 C ATOM 0 H MET A 43 10.249 3.553 -5.907 1.00 0.00 H new ATOM 0 HA MET A 43 11.490 5.549 -7.216 1.00 0.00 H new ATOM 0 HB2 MET A 43 11.873 2.764 -6.772 1.00 0.00 H new ATOM 0 HB3 MET A 43 12.095 2.985 -8.497 1.00 0.00 H new ATOM 0 HG2 MET A 43 14.261 3.409 -7.681 1.00 0.00 H new ATOM 0 HG3 MET A 43 13.611 5.031 -7.811 1.00 0.00 H new ATOM 0 HE1 MET A 43 15.867 4.450 -4.444 1.00 0.00 H new ATOM 0 HE2 MET A 43 15.907 3.355 -5.846 1.00 0.00 H new ATOM 0 HE3 MET A 43 15.928 5.118 -6.092 1.00 0.00 H new ATOM 673 N THR A 44 9.386 4.097 -9.205 1.00 0.00 N ATOM 674 CA THR A 44 8.746 4.172 -10.508 1.00 0.00 C ATOM 675 C THR A 44 7.375 4.841 -10.392 1.00 0.00 C ATOM 676 O THR A 44 7.066 5.767 -11.141 1.00 0.00 O ATOM 677 CB THR A 44 8.684 2.757 -11.086 1.00 0.00 C ATOM 678 OG1 THR A 44 9.940 2.593 -11.740 1.00 0.00 O ATOM 679 CG2 THR A 44 7.658 2.628 -12.212 1.00 0.00 C ATOM 0 H THR A 44 8.919 3.486 -8.535 1.00 0.00 H new ATOM 0 HA THR A 44 9.319 4.795 -11.195 1.00 0.00 H new ATOM 0 HB THR A 44 8.441 2.052 -10.291 1.00 0.00 H new ATOM 0 HG1 THR A 44 9.985 1.700 -12.142 1.00 0.00 H new ATOM 0 HG21 THR A 44 7.655 1.604 -12.586 1.00 0.00 H new ATOM 0 HG22 THR A 44 6.667 2.878 -11.832 1.00 0.00 H new ATOM 0 HG23 THR A 44 7.919 3.309 -13.022 1.00 0.00 H new ATOM 687 N ASP A 45 6.589 4.347 -9.446 1.00 0.00 N ATOM 688 CA ASP A 45 5.259 4.886 -9.221 1.00 0.00 C ATOM 689 C ASP A 45 5.073 5.168 -7.729 1.00 0.00 C ATOM 690 O ASP A 45 4.682 4.282 -6.969 1.00 0.00 O ATOM 691 CB ASP A 45 4.182 3.888 -9.651 1.00 0.00 C ATOM 692 CG ASP A 45 2.934 4.515 -10.279 1.00 0.00 C ATOM 693 OD1 ASP A 45 2.088 4.999 -9.498 1.00 0.00 O ATOM 694 OD2 ASP A 45 2.857 4.495 -11.528 1.00 0.00 O ATOM 0 H ASP A 45 6.848 3.579 -8.827 1.00 0.00 H new ATOM 0 HA ASP A 45 5.161 5.799 -9.808 1.00 0.00 H new ATOM 0 HB2 ASP A 45 4.619 3.190 -10.366 1.00 0.00 H new ATOM 0 HB3 ASP A 45 3.879 3.305 -8.781 1.00 0.00 H new ATOM 699 N ARG A 46 5.361 6.405 -7.353 1.00 0.00 N ATOM 700 CA ARG A 46 5.231 6.816 -5.965 1.00 0.00 C ATOM 701 C ARG A 46 3.759 6.806 -5.545 1.00 0.00 C ATOM 702 O ARG A 46 3.428 6.390 -4.435 1.00 0.00 O ATOM 703 CB ARG A 46 5.806 8.216 -5.748 1.00 0.00 C ATOM 704 CG ARG A 46 5.468 8.737 -4.349 1.00 0.00 C ATOM 705 CD ARG A 46 4.673 10.042 -4.427 1.00 0.00 C ATOM 706 NE ARG A 46 5.573 11.164 -4.777 1.00 0.00 N ATOM 707 CZ ARG A 46 5.318 12.448 -4.492 1.00 0.00 C ATOM 708 NH1 ARG A 46 4.189 12.780 -3.853 1.00 0.00 N ATOM 709 NH2 ARG A 46 6.194 13.398 -4.847 1.00 0.00 N ATOM 0 H ARG A 46 5.684 7.137 -7.986 1.00 0.00 H new ATOM 0 HA ARG A 46 5.792 6.108 -5.356 1.00 0.00 H new ATOM 0 HB2 ARG A 46 6.888 8.193 -5.880 1.00 0.00 H new ATOM 0 HB3 ARG A 46 5.407 8.897 -6.500 1.00 0.00 H new ATOM 0 HG2 ARG A 46 4.891 7.987 -3.807 1.00 0.00 H new ATOM 0 HG3 ARG A 46 6.387 8.900 -3.786 1.00 0.00 H new ATOM 0 HD2 ARG A 46 3.883 9.952 -5.173 1.00 0.00 H new ATOM 0 HD3 ARG A 46 4.187 10.239 -3.471 1.00 0.00 H new ATOM 0 HE ARG A 46 6.441 10.946 -5.266 1.00 0.00 H new ATOM 0 HH11 ARG A 46 3.524 12.055 -3.583 1.00 0.00 H new ATOM 0 HH12 ARG A 46 3.994 13.757 -3.636 1.00 0.00 H new ATOM 0 HH21 ARG A 46 7.053 13.143 -5.334 1.00 0.00 H new ATOM 0 HH22 ARG A 46 6.001 14.376 -4.631 1.00 0.00 H new ATOM 723 N LEU A 47 2.914 7.269 -6.455 1.00 0.00 N ATOM 724 CA LEU A 47 1.486 7.318 -6.193 1.00 0.00 C ATOM 725 C LEU A 47 1.037 5.989 -5.580 1.00 0.00 C ATOM 726 O LEU A 47 0.256 5.973 -4.631 1.00 0.00 O ATOM 727 CB LEU A 47 0.721 7.700 -7.462 1.00 0.00 C ATOM 728 CG LEU A 47 1.326 8.831 -8.296 1.00 0.00 C ATOM 729 CD1 LEU A 47 1.975 9.886 -7.397 1.00 0.00 C ATOM 730 CD2 LEU A 47 2.306 8.282 -9.336 1.00 0.00 C ATOM 0 H LEU A 47 3.191 7.613 -7.374 1.00 0.00 H new ATOM 0 HA LEU A 47 1.259 8.097 -5.465 1.00 0.00 H new ATOM 0 HB2 LEU A 47 0.638 6.815 -8.093 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -0.292 7.986 -7.179 1.00 0.00 H new ATOM 0 HG LEU A 47 0.521 9.323 -8.842 1.00 0.00 H new ATOM 0 HD11 LEU A 47 2.398 10.679 -8.014 1.00 0.00 H new ATOM 0 HD12 LEU A 47 1.223 10.307 -6.729 1.00 0.00 H new ATOM 0 HD13 LEU A 47 2.767 9.424 -6.807 1.00 0.00 H new ATOM 0 HD21 LEU A 47 2.722 9.107 -9.915 1.00 0.00 H new ATOM 0 HD22 LEU A 47 3.113 7.751 -8.831 1.00 0.00 H new ATOM 0 HD23 LEU A 47 1.783 7.597 -10.003 1.00 0.00 H new ATOM 742 N ALA A 48 1.551 4.909 -6.150 1.00 0.00 N ATOM 743 CA ALA A 48 1.213 3.580 -5.671 1.00 0.00 C ATOM 744 C ALA A 48 1.493 3.496 -4.170 1.00 0.00 C ATOM 745 O ALA A 48 0.796 2.790 -3.442 1.00 0.00 O ATOM 746 CB ALA A 48 1.997 2.536 -6.470 1.00 0.00 C ATOM 0 H ALA A 48 2.198 4.927 -6.938 1.00 0.00 H new ATOM 0 HA ALA A 48 0.152 3.377 -5.819 1.00 0.00 H new ATOM 0 HB1 ALA A 48 1.744 1.538 -6.111 1.00 0.00 H new ATOM 0 HB2 ALA A 48 1.740 2.618 -7.526 1.00 0.00 H new ATOM 0 HB3 ALA A 48 3.066 2.707 -6.342 1.00 0.00 H new ATOM 752 N GLY A 49 2.516 4.225 -3.749 1.00 0.00 N ATOM 753 CA GLY A 49 2.898 4.242 -2.347 1.00 0.00 C ATOM 754 C GLY A 49 1.922 5.087 -1.523 1.00 0.00 C ATOM 755 O GLY A 49 1.676 4.795 -0.354 1.00 0.00 O ATOM 0 H GLY A 49 3.093 4.809 -4.355 1.00 0.00 H new ATOM 0 HA2 GLY A 49 2.919 3.223 -1.960 1.00 0.00 H new ATOM 0 HA3 GLY A 49 3.907 4.643 -2.246 1.00 0.00 H new ATOM 759 N CYS A 50 1.393 6.117 -2.166 1.00 0.00 N ATOM 760 CA CYS A 50 0.450 7.006 -1.509 1.00 0.00 C ATOM 761 C CYS A 50 -0.931 6.347 -1.538 1.00 0.00 C ATOM 762 O CYS A 50 -1.671 6.410 -0.558 1.00 0.00 O ATOM 763 CB CYS A 50 0.435 8.392 -2.156 1.00 0.00 C ATOM 764 SG CYS A 50 0.354 9.788 -0.975 1.00 0.00 S ATOM 0 H CYS A 50 1.600 6.356 -3.136 1.00 0.00 H new ATOM 0 HA CYS A 50 0.755 7.164 -0.474 1.00 0.00 H new ATOM 0 HB2 CYS A 50 1.331 8.502 -2.767 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -0.420 8.454 -2.830 1.00 0.00 H new ATOM 769 N ALA A 51 -1.234 5.732 -2.670 1.00 0.00 N ATOM 770 CA ALA A 51 -2.513 5.062 -2.839 1.00 0.00 C ATOM 771 C ALA A 51 -2.639 3.944 -1.802 1.00 0.00 C ATOM 772 O ALA A 51 -3.658 3.836 -1.122 1.00 0.00 O ATOM 773 CB ALA A 51 -2.632 4.543 -4.274 1.00 0.00 C ATOM 0 H ALA A 51 -0.616 5.683 -3.480 1.00 0.00 H new ATOM 0 HA ALA A 51 -3.336 5.758 -2.675 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -3.591 4.041 -4.401 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -2.566 5.379 -4.970 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -1.824 3.839 -4.474 1.00 0.00 H new ATOM 779 N ILE A 52 -1.589 3.141 -1.713 1.00 0.00 N ATOM 780 CA ILE A 52 -1.569 2.036 -0.770 1.00 0.00 C ATOM 781 C ILE A 52 -1.689 2.584 0.653 1.00 0.00 C ATOM 782 O ILE A 52 -2.386 2.007 1.486 1.00 0.00 O ATOM 783 CB ILE A 52 -0.331 1.165 -0.992 1.00 0.00 C ATOM 784 CG1 ILE A 52 -0.683 -0.321 -0.906 1.00 0.00 C ATOM 785 CG2 ILE A 52 0.788 1.546 -0.021 1.00 0.00 C ATOM 786 CD1 ILE A 52 -1.452 -0.630 0.381 1.00 0.00 C ATOM 0 H ILE A 52 -0.745 3.234 -2.279 1.00 0.00 H new ATOM 0 HA ILE A 52 -2.424 1.380 -0.932 1.00 0.00 H new ATOM 0 HB ILE A 52 0.040 1.350 -2.000 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -1.283 -0.607 -1.770 1.00 0.00 H new ATOM 0 HG13 ILE A 52 0.229 -0.917 -0.941 1.00 0.00 H new ATOM 0 HG21 ILE A 52 1.656 0.912 -0.200 1.00 0.00 H new ATOM 0 HG22 ILE A 52 1.063 2.590 -0.174 1.00 0.00 H new ATOM 0 HG23 ILE A 52 0.443 1.408 1.004 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -1.690 -1.693 0.417 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -0.839 -0.366 1.243 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -2.375 -0.051 0.401 1.00 0.00 H new ATOM 798 N ASN A 53 -1.000 3.690 0.888 1.00 0.00 N ATOM 799 CA ASN A 53 -1.021 4.322 2.196 1.00 0.00 C ATOM 800 C ASN A 53 -2.454 4.738 2.533 1.00 0.00 C ATOM 801 O ASN A 53 -2.907 4.556 3.663 1.00 0.00 O ATOM 802 CB ASN A 53 -0.148 5.578 2.216 1.00 0.00 C ATOM 803 CG ASN A 53 0.991 5.437 3.228 1.00 0.00 C ATOM 804 OD1 ASN A 53 1.743 4.476 3.228 1.00 0.00 O ATOM 805 ND2 ASN A 53 1.076 6.448 4.090 1.00 0.00 N ATOM 0 H ASN A 53 -0.423 4.165 0.194 1.00 0.00 H new ATOM 0 HA ASN A 53 -0.638 3.605 2.922 1.00 0.00 H new ATOM 0 HB2 ASN A 53 0.263 5.755 1.222 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -0.758 6.445 2.468 1.00 0.00 H new ATOM 0 HD21 ASN A 53 1.803 6.448 4.806 1.00 0.00 H new ATOM 0 HD22 ASN A 53 0.414 7.222 4.035 1.00 0.00 H new ATOM 812 N CYS A 54 -3.127 5.287 1.534 1.00 0.00 N ATOM 813 CA CYS A 54 -4.501 5.730 1.711 1.00 0.00 C ATOM 814 C CYS A 54 -5.380 4.496 1.923 1.00 0.00 C ATOM 815 O CYS A 54 -6.478 4.599 2.466 1.00 0.00 O ATOM 816 CB CYS A 54 -4.979 6.576 0.530 1.00 0.00 C ATOM 817 SG CYS A 54 -6.302 5.810 -0.477 1.00 0.00 S ATOM 0 H CYS A 54 -2.748 5.436 0.599 1.00 0.00 H new ATOM 0 HA CYS A 54 -4.568 6.376 2.586 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -5.338 7.533 0.908 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -4.127 6.788 -0.116 1.00 0.00 H new ATOM 822 N LEU A 55 -4.864 3.359 1.483 1.00 0.00 N ATOM 823 CA LEU A 55 -5.588 2.106 1.618 1.00 0.00 C ATOM 824 C LEU A 55 -6.009 1.919 3.077 1.00 0.00 C ATOM 825 O LEU A 55 -7.101 1.424 3.353 1.00 0.00 O ATOM 826 CB LEU A 55 -4.760 0.946 1.063 1.00 0.00 C ATOM 827 CG LEU A 55 -5.547 -0.290 0.623 1.00 0.00 C ATOM 828 CD1 LEU A 55 -6.248 -0.947 1.814 1.00 0.00 C ATOM 829 CD2 LEU A 55 -6.526 0.055 -0.500 1.00 0.00 C ATOM 0 H LEU A 55 -3.953 3.278 1.032 1.00 0.00 H new ATOM 0 HA LEU A 55 -6.501 2.128 1.023 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -4.187 1.310 0.210 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -4.041 0.642 1.824 1.00 0.00 H new ATOM 0 HG LEU A 55 -4.842 -1.019 0.223 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -6.800 -1.823 1.473 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -5.505 -1.251 2.551 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -6.939 -0.236 2.267 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -7.073 -0.841 -0.794 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -7.229 0.811 -0.150 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -5.975 0.442 -1.357 1.00 0.00 H new ATOM 841 N ALA A 56 -5.120 2.325 3.972 1.00 0.00 N ATOM 842 CA ALA A 56 -5.387 2.210 5.395 1.00 0.00 C ATOM 843 C ALA A 56 -6.376 3.298 5.816 1.00 0.00 C ATOM 844 O ALA A 56 -6.907 3.263 6.925 1.00 0.00 O ATOM 845 CB ALA A 56 -4.069 2.288 6.169 1.00 0.00 C ATOM 0 H ALA A 56 -4.215 2.734 3.739 1.00 0.00 H new ATOM 0 HA ALA A 56 -5.843 1.247 5.623 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -4.269 2.202 7.237 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -3.414 1.475 5.855 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -3.584 3.243 5.966 1.00 0.00 H new ATOM 851 N THR A 57 -6.592 4.238 4.908 1.00 0.00 N ATOM 852 CA THR A 57 -7.509 5.335 5.171 1.00 0.00 C ATOM 853 C THR A 57 -8.350 5.041 6.414 1.00 0.00 C ATOM 854 O THR A 57 -8.290 5.777 7.397 1.00 0.00 O ATOM 855 CB THR A 57 -8.345 5.564 3.911 1.00 0.00 C ATOM 856 OG1 THR A 57 -9.523 6.211 4.388 1.00 0.00 O ATOM 857 CG2 THR A 57 -8.859 4.257 3.303 1.00 0.00 C ATOM 0 H THR A 57 -6.148 4.263 3.990 1.00 0.00 H new ATOM 0 HA THR A 57 -6.971 6.256 5.393 1.00 0.00 H new ATOM 0 HB THR A 57 -7.748 6.098 3.172 1.00 0.00 H new ATOM 0 HG1 THR A 57 -10.121 6.398 3.635 1.00 0.00 H new ATOM 0 HG21 THR A 57 -9.446 4.477 2.411 1.00 0.00 H new ATOM 0 HG22 THR A 57 -8.014 3.624 3.034 1.00 0.00 H new ATOM 0 HG23 THR A 57 -9.484 3.738 4.030 1.00 0.00 H new ATOM 865 N LYS A 58 -9.116 3.963 6.330 1.00 0.00 N ATOM 866 CA LYS A 58 -9.969 3.561 7.435 1.00 0.00 C ATOM 867 C LYS A 58 -9.441 2.256 8.032 1.00 0.00 C ATOM 868 O LYS A 58 -9.755 1.173 7.541 1.00 0.00 O ATOM 869 CB LYS A 58 -11.430 3.487 6.986 1.00 0.00 C ATOM 870 CG LYS A 58 -12.351 3.178 8.167 1.00 0.00 C ATOM 871 CD LYS A 58 -13.156 4.414 8.573 1.00 0.00 C ATOM 872 CE LYS A 58 -14.499 4.016 9.188 1.00 0.00 C ATOM 873 NZ LYS A 58 -15.612 4.687 8.481 1.00 0.00 N ATOM 0 H LYS A 58 -9.163 3.355 5.512 1.00 0.00 H new ATOM 0 HA LYS A 58 -9.942 4.308 8.228 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -11.722 4.433 6.530 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -11.541 2.717 6.222 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -13.031 2.368 7.901 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -11.759 2.831 9.014 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -12.585 5.005 9.289 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -13.324 5.045 7.701 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -14.625 2.935 9.133 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -14.516 4.285 10.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -16.516 4.406 8.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -15.499 5.718 8.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -15.604 4.409 7.479 1.00 0.00 H new ATOM 887 N LEU A 59 -8.650 2.401 9.086 1.00 0.00 N ATOM 888 CA LEU A 59 -8.076 1.247 9.756 1.00 0.00 C ATOM 889 C LEU A 59 -9.203 0.361 10.292 1.00 0.00 C ATOM 890 O LEU A 59 -8.982 -0.805 10.613 1.00 0.00 O ATOM 891 CB LEU A 59 -7.079 1.690 10.828 1.00 0.00 C ATOM 892 CG LEU A 59 -6.212 2.901 10.479 1.00 0.00 C ATOM 893 CD1 LEU A 59 -5.164 3.155 11.563 1.00 0.00 C ATOM 894 CD2 LEU A 59 -5.577 2.740 9.096 1.00 0.00 C ATOM 0 H LEU A 59 -8.393 3.301 9.492 1.00 0.00 H new ATOM 0 HA LEU A 59 -7.503 0.644 9.052 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -7.632 1.915 11.740 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -6.421 0.850 11.053 1.00 0.00 H new ATOM 0 HG LEU A 59 -6.854 3.781 10.439 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -4.561 4.021 11.290 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -5.662 3.345 12.514 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -4.520 2.281 11.659 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -4.966 3.614 8.872 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -4.951 1.847 9.085 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -6.361 2.643 8.345 1.00 0.00 H new ATOM 906 N ASP A 60 -10.387 0.949 10.371 1.00 0.00 N ATOM 907 CA ASP A 60 -11.550 0.228 10.863 1.00 0.00 C ATOM 908 C ASP A 60 -11.927 -0.864 9.861 1.00 0.00 C ATOM 909 O ASP A 60 -12.586 -1.840 10.219 1.00 0.00 O ATOM 910 CB ASP A 60 -12.752 1.162 11.018 1.00 0.00 C ATOM 911 CG ASP A 60 -12.446 2.502 11.691 1.00 0.00 C ATOM 912 OD1 ASP A 60 -11.274 2.927 11.605 1.00 0.00 O ATOM 913 OD2 ASP A 60 -13.393 3.073 12.274 1.00 0.00 O ATOM 0 H ASP A 60 -10.567 1.917 10.103 1.00 0.00 H new ATOM 0 HA ASP A 60 -11.297 -0.199 11.834 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -13.173 1.356 10.031 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -13.520 0.649 11.597 1.00 0.00 H new ATOM 918 N VAL A 61 -11.493 -0.666 8.626 1.00 0.00 N ATOM 919 CA VAL A 61 -11.777 -1.623 7.569 1.00 0.00 C ATOM 920 C VAL A 61 -10.762 -2.767 7.635 1.00 0.00 C ATOM 921 O VAL A 61 -11.123 -3.932 7.478 1.00 0.00 O ATOM 922 CB VAL A 61 -11.792 -0.916 6.212 1.00 0.00 C ATOM 923 CG1 VAL A 61 -12.428 0.471 6.324 1.00 0.00 C ATOM 924 CG2 VAL A 61 -10.382 -0.828 5.625 1.00 0.00 C ATOM 0 H VAL A 61 -10.946 0.143 8.332 1.00 0.00 H new ATOM 0 HA VAL A 61 -12.767 -2.058 7.705 1.00 0.00 H new ATOM 0 HB VAL A 61 -12.402 -1.509 5.531 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -12.426 0.952 5.346 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -13.454 0.373 6.678 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -11.857 1.077 7.028 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -10.420 -0.321 4.661 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -9.739 -0.268 6.304 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -9.980 -1.832 5.491 1.00 0.00 H new ATOM 934 N VAL A 62 -9.513 -2.392 7.871 1.00 0.00 N ATOM 935 CA VAL A 62 -8.443 -3.373 7.960 1.00 0.00 C ATOM 936 C VAL A 62 -8.446 -3.998 9.357 1.00 0.00 C ATOM 937 O VAL A 62 -8.340 -5.215 9.495 1.00 0.00 O ATOM 938 CB VAL A 62 -7.105 -2.722 7.599 1.00 0.00 C ATOM 939 CG1 VAL A 62 -6.805 -2.878 6.107 1.00 0.00 C ATOM 940 CG2 VAL A 62 -7.084 -1.248 8.010 1.00 0.00 C ATOM 0 H VAL A 62 -9.218 -1.425 8.003 1.00 0.00 H new ATOM 0 HA VAL A 62 -8.602 -4.178 7.243 1.00 0.00 H new ATOM 0 HB VAL A 62 -6.321 -3.237 8.155 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -5.849 -2.407 5.877 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -6.758 -3.937 5.854 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -7.594 -2.401 5.525 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -6.123 -0.809 7.742 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -7.882 -0.715 7.494 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -7.232 -1.168 9.087 1.00 0.00 H new ATOM 950 N ASP A 63 -8.567 -3.135 10.356 1.00 0.00 N ATOM 951 CA ASP A 63 -8.585 -3.588 11.736 1.00 0.00 C ATOM 952 C ASP A 63 -9.870 -3.105 12.411 1.00 0.00 C ATOM 953 O ASP A 63 -10.033 -1.912 12.661 1.00 0.00 O ATOM 954 CB ASP A 63 -7.399 -3.019 12.518 1.00 0.00 C ATOM 955 CG ASP A 63 -6.924 -1.639 12.059 1.00 0.00 C ATOM 956 OD1 ASP A 63 -6.200 -1.597 11.041 1.00 0.00 O ATOM 957 OD2 ASP A 63 -7.296 -0.657 12.737 1.00 0.00 O ATOM 0 H ASP A 63 -8.653 -2.126 10.237 1.00 0.00 H new ATOM 0 HA ASP A 63 -8.528 -4.676 11.734 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -7.672 -2.961 13.572 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -6.565 -3.717 12.443 1.00 0.00 H new ATOM 962 N PRO A 64 -10.773 -4.082 12.692 1.00 0.00 N ATOM 963 CA PRO A 64 -12.039 -3.768 13.332 1.00 0.00 C ATOM 964 C PRO A 64 -11.842 -3.473 14.821 1.00 0.00 C ATOM 965 O PRO A 64 -12.458 -2.556 15.361 1.00 0.00 O ATOM 966 CB PRO A 64 -12.920 -4.981 13.078 1.00 0.00 C ATOM 967 CG PRO A 64 -11.974 -6.113 12.712 1.00 0.00 C ATOM 968 CD PRO A 64 -10.614 -5.505 12.409 1.00 0.00 C ATOM 0 HA PRO A 64 -12.501 -2.866 12.931 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -13.505 -5.231 13.963 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -13.628 -4.788 12.272 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -11.899 -6.827 13.532 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -12.349 -6.659 11.847 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -9.835 -5.948 13.030 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -10.328 -5.673 11.371 1.00 0.00 H new ATOM 976 N ASP A 65 -10.985 -4.268 15.440 1.00 0.00 N ATOM 977 CA ASP A 65 -10.699 -4.105 16.856 1.00 0.00 C ATOM 978 C ASP A 65 -9.264 -3.606 17.028 1.00 0.00 C ATOM 979 O ASP A 65 -8.811 -3.380 18.148 1.00 0.00 O ATOM 980 CB ASP A 65 -10.830 -5.434 17.602 1.00 0.00 C ATOM 981 CG ASP A 65 -11.342 -5.321 19.039 1.00 0.00 C ATOM 982 OD1 ASP A 65 -12.203 -4.446 19.267 1.00 0.00 O ATOM 983 OD2 ASP A 65 -10.860 -6.114 19.877 1.00 0.00 O ATOM 0 H ASP A 65 -10.478 -5.029 14.988 1.00 0.00 H new ATOM 0 HA ASP A 65 -11.415 -3.391 17.264 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -11.504 -6.083 17.042 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -9.856 -5.923 17.617 1.00 0.00 H new ATOM 988 N GLY A 66 -8.588 -3.446 15.899 1.00 0.00 N ATOM 989 CA GLY A 66 -7.212 -2.976 15.911 1.00 0.00 C ATOM 990 C GLY A 66 -6.241 -4.121 15.619 1.00 0.00 C ATOM 991 O GLY A 66 -5.231 -4.274 16.306 1.00 0.00 O ATOM 0 H GLY A 66 -8.967 -3.633 14.971 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -7.086 -2.189 15.168 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -6.982 -2.537 16.882 1.00 0.00 H new ATOM 995 N ASN A 67 -6.578 -4.896 14.598 1.00 0.00 N ATOM 996 CA ASN A 67 -5.747 -6.021 14.205 1.00 0.00 C ATOM 997 C ASN A 67 -4.312 -5.538 13.985 1.00 0.00 C ATOM 998 O ASN A 67 -3.359 -6.252 14.293 1.00 0.00 O ATOM 999 CB ASN A 67 -6.243 -6.642 12.897 1.00 0.00 C ATOM 1000 CG ASN A 67 -5.202 -7.602 12.318 1.00 0.00 C ATOM 1001 OD1 ASN A 67 -4.212 -6.998 11.667 1.00 0.00 O flip ATOM 1002 ND2 ASN A 67 -5.292 -8.811 12.453 1.00 0.00 N flip ATOM 0 H ASN A 67 -7.416 -4.767 14.031 1.00 0.00 H new ATOM 0 HA ASN A 67 -5.793 -6.767 14.998 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -7.177 -7.176 13.075 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -6.458 -5.854 12.175 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -6.079 -9.210 12.965 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -4.580 -9.423 12.054 1.00 0.00 H new ATOM 1009 N LEU A 68 -4.203 -4.330 13.456 1.00 0.00 N ATOM 1010 CA LEU A 68 -2.900 -3.743 13.190 1.00 0.00 C ATOM 1011 C LEU A 68 -3.075 -2.266 12.833 1.00 0.00 C ATOM 1012 O LEU A 68 -4.177 -1.729 12.914 1.00 0.00 O ATOM 1013 CB LEU A 68 -2.155 -4.550 12.126 1.00 0.00 C ATOM 1014 CG LEU A 68 -2.440 -4.166 10.672 1.00 0.00 C ATOM 1015 CD1 LEU A 68 -3.700 -3.306 10.569 1.00 0.00 C ATOM 1016 CD2 LEU A 68 -1.226 -3.482 10.039 1.00 0.00 C ATOM 0 H LEU A 68 -4.996 -3.740 13.204 1.00 0.00 H new ATOM 0 HA LEU A 68 -2.274 -3.784 14.082 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -1.085 -4.449 12.305 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -2.402 -5.603 12.258 1.00 0.00 H new ATOM 0 HG LEU A 68 -2.627 -5.079 10.107 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -3.880 -3.047 9.526 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -4.553 -3.863 10.957 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -3.567 -2.394 11.151 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -1.454 -3.219 9.006 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -0.985 -2.578 10.599 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -0.373 -4.161 10.061 1.00 0.00 H new ATOM 1028 N HIS A 69 -1.967 -1.650 12.443 1.00 0.00 N ATOM 1029 CA HIS A 69 -1.984 -0.245 12.073 1.00 0.00 C ATOM 1030 C HIS A 69 -0.996 -0.005 10.929 1.00 0.00 C ATOM 1031 O HIS A 69 0.206 -0.216 11.087 1.00 0.00 O ATOM 1032 CB HIS A 69 -1.709 0.641 13.288 1.00 0.00 C ATOM 1033 CG HIS A 69 -2.891 0.792 14.217 1.00 0.00 C ATOM 1034 ND1 HIS A 69 -3.413 -0.065 15.141 1.00 0.00 N flip ATOM 1035 CD2 HIS A 69 -3.674 1.932 14.255 1.00 0.00 C flip ATOM 1036 CE1 HIS A 69 -4.458 0.521 15.713 1.00 0.00 C flip ATOM 1037 NE2 HIS A 69 -4.622 1.758 15.164 1.00 0.00 N flip ATOM 0 H HIS A 69 -1.053 -2.098 12.376 1.00 0.00 H new ATOM 0 HA HIS A 69 -2.977 0.028 11.715 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -0.871 0.224 13.847 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -1.402 1.628 12.943 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -3.536 2.814 13.647 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -5.076 0.089 16.486 1.00 0.00 H new ATOM 0 HE2 HIS A 69 -5.347 2.432 15.410 1.00 0.00 H new ATOM 1046 N HIS A 70 -1.538 0.434 9.802 1.00 0.00 N ATOM 1047 CA HIS A 70 -0.719 0.705 8.632 1.00 0.00 C ATOM 1048 C HIS A 70 0.566 1.417 9.061 1.00 0.00 C ATOM 1049 O HIS A 70 0.539 2.283 9.933 1.00 0.00 O ATOM 1050 CB HIS A 70 -1.511 1.489 7.585 1.00 0.00 C ATOM 1051 CG HIS A 70 -1.032 1.280 6.169 1.00 0.00 C ATOM 1052 ND1 HIS A 70 -1.186 0.081 5.495 1.00 0.00 N ATOM 1053 CD2 HIS A 70 -0.400 2.128 5.307 1.00 0.00 C ATOM 1054 CE1 HIS A 70 -0.667 0.214 4.283 1.00 0.00 C ATOM 1055 NE2 HIS A 70 -0.180 1.482 4.170 1.00 0.00 N ATOM 0 H HIS A 70 -2.535 0.609 9.674 1.00 0.00 H new ATOM 0 HA HIS A 70 -0.432 -0.233 8.157 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -2.561 1.202 7.649 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -1.456 2.551 7.823 1.00 0.00 H new ATOM 0 HD1 HIS A 70 -1.624 -0.761 5.868 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -0.126 3.152 5.515 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -0.635 -0.549 3.519 1.00 0.00 H new ATOM 1064 N GLY A 71 1.661 1.025 8.425 1.00 0.00 N ATOM 1065 CA GLY A 71 2.953 1.615 8.729 1.00 0.00 C ATOM 1066 C GLY A 71 3.559 0.992 9.987 1.00 0.00 C ATOM 1067 O GLY A 71 4.740 0.646 10.007 1.00 0.00 O ATOM 0 H GLY A 71 1.679 0.307 7.701 1.00 0.00 H new ATOM 0 HA2 GLY A 71 3.629 1.472 7.886 1.00 0.00 H new ATOM 0 HA3 GLY A 71 2.842 2.690 8.869 1.00 0.00 H new ATOM 1071 N ASN A 72 2.723 0.863 11.007 1.00 0.00 N ATOM 1072 CA ASN A 72 3.162 0.285 12.266 1.00 0.00 C ATOM 1073 C ASN A 72 2.258 -0.896 12.623 1.00 0.00 C ATOM 1074 O ASN A 72 1.381 -0.777 13.478 1.00 0.00 O ATOM 1075 CB ASN A 72 3.073 1.308 13.401 1.00 0.00 C ATOM 1076 CG ASN A 72 3.436 0.669 14.743 1.00 0.00 C ATOM 1077 OD1 ASN A 72 4.674 0.936 15.150 1.00 0.00 O flip ATOM 1078 ND2 ASN A 72 2.646 -0.018 15.368 1.00 0.00 N flip ATOM 0 H ASN A 72 1.744 1.149 10.987 1.00 0.00 H new ATOM 0 HA ASN A 72 4.197 -0.035 12.148 1.00 0.00 H new ATOM 0 HB2 ASN A 72 3.745 2.142 13.197 1.00 0.00 H new ATOM 0 HB3 ASN A 72 2.063 1.716 13.449 1.00 0.00 H new ATOM 0 HD21 ASN A 72 1.710 -0.183 14.998 1.00 0.00 H new ATOM 0 HD22 ASN A 72 2.921 -0.427 16.261 1.00 0.00 H new ATOM 1085 N ALA A 73 2.502 -2.012 11.949 1.00 0.00 N ATOM 1086 CA ALA A 73 1.721 -3.213 12.184 1.00 0.00 C ATOM 1087 C ALA A 73 1.970 -3.708 13.610 1.00 0.00 C ATOM 1088 O ALA A 73 3.117 -3.828 14.039 1.00 0.00 O ATOM 1089 CB ALA A 73 2.076 -4.267 11.131 1.00 0.00 C ATOM 0 H ALA A 73 3.230 -2.108 11.241 1.00 0.00 H new ATOM 0 HA ALA A 73 0.656 -3.002 12.090 1.00 0.00 H new ATOM 0 HB1 ALA A 73 1.490 -5.169 11.307 1.00 0.00 H new ATOM 0 HB2 ALA A 73 1.854 -3.878 10.137 1.00 0.00 H new ATOM 0 HB3 ALA A 73 3.138 -4.505 11.198 1.00 0.00 H new ATOM 1095 N LYS A 74 0.876 -3.980 14.308 1.00 0.00 N ATOM 1096 CA LYS A 74 0.962 -4.458 15.677 1.00 0.00 C ATOM 1097 C LYS A 74 1.722 -5.784 15.703 1.00 0.00 C ATOM 1098 O LYS A 74 2.023 -6.352 14.655 1.00 0.00 O ATOM 1099 CB LYS A 74 -0.431 -4.534 16.306 1.00 0.00 C ATOM 1100 CG LYS A 74 -0.411 -4.017 17.746 1.00 0.00 C ATOM 1101 CD LYS A 74 -1.678 -4.436 18.496 1.00 0.00 C ATOM 1102 CE LYS A 74 -1.409 -4.561 19.997 1.00 0.00 C ATOM 1103 NZ LYS A 74 -0.435 -5.642 20.261 1.00 0.00 N ATOM 0 H LYS A 74 -0.074 -3.878 13.951 1.00 0.00 H new ATOM 0 HA LYS A 74 1.526 -3.756 16.291 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -1.134 -3.947 15.715 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -0.785 -5.565 16.291 1.00 0.00 H new ATOM 0 HG2 LYS A 74 0.467 -4.404 18.263 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -0.327 -2.930 17.745 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -2.466 -3.703 18.324 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -2.038 -5.388 18.107 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -1.026 -3.616 20.384 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -2.341 -4.767 20.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -0.624 -6.059 21.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -0.524 -6.376 19.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 0.529 -5.252 20.245 1.00 0.00 H new ATOM 1117 N ASP A 75 2.008 -6.242 16.914 1.00 0.00 N ATOM 1118 CA ASP A 75 2.727 -7.493 17.090 1.00 0.00 C ATOM 1119 C ASP A 75 1.824 -8.657 16.680 1.00 0.00 C ATOM 1120 O ASP A 75 2.241 -9.814 16.716 1.00 0.00 O ATOM 1121 CB ASP A 75 3.127 -7.696 18.552 1.00 0.00 C ATOM 1122 CG ASP A 75 4.537 -7.220 18.909 1.00 0.00 C ATOM 1123 OD1 ASP A 75 4.690 -5.995 19.104 1.00 0.00 O ATOM 1124 OD2 ASP A 75 5.429 -8.092 18.979 1.00 0.00 O ATOM 0 H ASP A 75 1.755 -5.769 17.782 1.00 0.00 H new ATOM 0 HA ASP A 75 3.624 -7.457 16.472 1.00 0.00 H new ATOM 0 HB2 ASP A 75 2.411 -7.171 19.185 1.00 0.00 H new ATOM 0 HB3 ASP A 75 3.046 -8.756 18.791 1.00 0.00 H new ATOM 1129 N PHE A 76 0.602 -8.312 16.300 1.00 0.00 N ATOM 1130 CA PHE A 76 -0.364 -9.314 15.885 1.00 0.00 C ATOM 1131 C PHE A 76 -0.250 -9.597 14.385 1.00 0.00 C ATOM 1132 O PHE A 76 -0.242 -10.753 13.967 1.00 0.00 O ATOM 1133 CB PHE A 76 -1.754 -8.746 16.181 1.00 0.00 C ATOM 1134 CG PHE A 76 -2.828 -9.813 16.399 1.00 0.00 C ATOM 1135 CD1 PHE A 76 -2.971 -10.396 17.620 1.00 0.00 C ATOM 1136 CD2 PHE A 76 -3.641 -10.180 15.372 1.00 0.00 C ATOM 1137 CE1 PHE A 76 -3.968 -11.386 17.822 1.00 0.00 C ATOM 1138 CE2 PHE A 76 -4.639 -11.170 15.573 1.00 0.00 C ATOM 1139 CZ PHE A 76 -4.781 -11.752 16.794 1.00 0.00 C ATOM 0 H PHE A 76 0.259 -7.352 16.271 1.00 0.00 H new ATOM 0 HA PHE A 76 -0.184 -10.247 16.419 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -1.696 -8.116 17.069 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -2.057 -8.104 15.354 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -2.326 -10.105 18.436 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -3.527 -9.718 14.403 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -4.081 -11.849 18.791 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -5.284 -11.460 14.757 1.00 0.00 H new ATOM 0 HZ PHE A 76 -5.540 -12.505 16.948 1.00 0.00 H new ATOM 1149 N ALA A 77 -0.167 -8.521 13.618 1.00 0.00 N ATOM 1150 CA ALA A 77 -0.054 -8.638 12.174 1.00 0.00 C ATOM 1151 C ALA A 77 1.278 -9.306 11.824 1.00 0.00 C ATOM 1152 O ALA A 77 1.299 -10.349 11.173 1.00 0.00 O ATOM 1153 CB ALA A 77 -0.197 -7.254 11.537 1.00 0.00 C ATOM 0 H ALA A 77 -0.176 -7.563 13.969 1.00 0.00 H new ATOM 0 HA ALA A 77 -0.852 -9.264 11.776 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -0.112 -7.341 10.454 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -1.170 -6.835 11.792 1.00 0.00 H new ATOM 0 HB3 ALA A 77 0.590 -6.598 11.911 1.00 0.00 H new ATOM 1159 N MET A 78 2.354 -8.676 12.270 1.00 0.00 N ATOM 1160 CA MET A 78 3.686 -9.196 12.011 1.00 0.00 C ATOM 1161 C MET A 78 3.999 -10.383 12.925 1.00 0.00 C ATOM 1162 O MET A 78 5.106 -10.495 13.444 1.00 0.00 O ATOM 1163 CB MET A 78 4.719 -8.091 12.237 1.00 0.00 C ATOM 1164 CG MET A 78 4.595 -7.505 13.645 1.00 0.00 C ATOM 1165 SD MET A 78 5.859 -8.187 14.704 1.00 0.00 S ATOM 1166 CE MET A 78 4.865 -9.272 15.714 1.00 0.00 C ATOM 0 H MET A 78 2.331 -7.810 12.809 1.00 0.00 H new ATOM 0 HA MET A 78 3.727 -9.537 10.977 1.00 0.00 H new ATOM 0 HB2 MET A 78 5.723 -8.491 12.093 1.00 0.00 H new ATOM 0 HB3 MET A 78 4.581 -7.302 11.497 1.00 0.00 H new ATOM 0 HG2 MET A 78 4.689 -6.420 13.606 1.00 0.00 H new ATOM 0 HG3 MET A 78 3.609 -7.725 14.054 1.00 0.00 H new ATOM 0 HE1 MET A 78 4.866 -8.913 16.743 1.00 0.00 H new ATOM 0 HE2 MET A 78 3.843 -9.286 15.336 1.00 0.00 H new ATOM 0 HE3 MET A 78 5.278 -10.280 15.681 1.00 0.00 H new ATOM 1176 N LYS A 79 3.000 -11.238 13.093 1.00 0.00 N ATOM 1177 CA LYS A 79 3.155 -12.412 13.935 1.00 0.00 C ATOM 1178 C LYS A 79 2.266 -13.537 13.401 1.00 0.00 C ATOM 1179 O LYS A 79 2.742 -14.645 13.157 1.00 0.00 O ATOM 1180 CB LYS A 79 2.886 -12.059 15.400 1.00 0.00 C ATOM 1181 CG LYS A 79 3.082 -13.279 16.302 1.00 0.00 C ATOM 1182 CD LYS A 79 1.734 -13.865 16.730 1.00 0.00 C ATOM 1183 CE LYS A 79 1.870 -15.347 17.086 1.00 0.00 C ATOM 1184 NZ LYS A 79 0.619 -15.849 17.699 1.00 0.00 N ATOM 0 H LYS A 79 2.081 -11.141 12.661 1.00 0.00 H new ATOM 0 HA LYS A 79 4.183 -12.773 13.901 1.00 0.00 H new ATOM 0 HB2 LYS A 79 3.556 -11.259 15.714 1.00 0.00 H new ATOM 0 HB3 LYS A 79 1.868 -11.683 15.506 1.00 0.00 H new ATOM 0 HG2 LYS A 79 3.661 -14.037 15.775 1.00 0.00 H new ATOM 0 HG3 LYS A 79 3.656 -12.995 17.184 1.00 0.00 H new ATOM 0 HD2 LYS A 79 1.350 -13.315 17.589 1.00 0.00 H new ATOM 0 HD3 LYS A 79 1.009 -13.746 15.925 1.00 0.00 H new ATOM 0 HE2 LYS A 79 2.100 -15.923 16.190 1.00 0.00 H new ATOM 0 HE3 LYS A 79 2.702 -15.487 17.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 0.728 -16.856 17.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 0.417 -15.311 18.565 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -0.167 -15.733 17.028 1.00 0.00 H new ATOM 1198 N HIS A 80 0.993 -13.215 13.237 1.00 0.00 N ATOM 1199 CA HIS A 80 0.033 -14.186 12.736 1.00 0.00 C ATOM 1200 C HIS A 80 0.318 -14.475 11.262 1.00 0.00 C ATOM 1201 O HIS A 80 -0.310 -15.348 10.663 1.00 0.00 O ATOM 1202 CB HIS A 80 -1.399 -13.711 12.982 1.00 0.00 C ATOM 1203 CG HIS A 80 -1.920 -12.761 11.929 1.00 0.00 C ATOM 1204 ND1 HIS A 80 -1.118 -11.823 11.305 1.00 0.00 N ATOM 1205 CD2 HIS A 80 -3.169 -12.616 11.400 1.00 0.00 C ATOM 1206 CE1 HIS A 80 -1.861 -11.148 10.438 1.00 0.00 C ATOM 1207 NE2 HIS A 80 -3.131 -11.640 10.499 1.00 0.00 N ATOM 0 H HIS A 80 0.602 -12.295 13.442 1.00 0.00 H new ATOM 0 HA HIS A 80 0.140 -15.124 13.281 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -2.056 -14.580 13.030 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -1.446 -13.221 13.954 1.00 0.00 H new ATOM 0 HD1 HIS A 80 -0.124 -11.675 11.481 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -4.040 -13.196 11.668 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -1.520 -10.349 9.796 1.00 0.00 H new ATOM 1216 N GLY A 81 1.266 -13.726 10.717 1.00 0.00 N ATOM 1217 CA GLY A 81 1.641 -13.891 9.323 1.00 0.00 C ATOM 1218 C GLY A 81 3.042 -13.332 9.063 1.00 0.00 C ATOM 1219 O GLY A 81 3.284 -12.709 8.030 1.00 0.00 O ATOM 0 H GLY A 81 1.785 -13.004 11.216 1.00 0.00 H new ATOM 0 HA2 GLY A 81 1.612 -14.948 9.057 1.00 0.00 H new ATOM 0 HA3 GLY A 81 0.918 -13.382 8.685 1.00 0.00 H new ATOM 1223 N ALA A 82 3.928 -13.575 10.017 1.00 0.00 N ATOM 1224 CA ALA A 82 5.298 -13.104 9.904 1.00 0.00 C ATOM 1225 C ALA A 82 6.256 -14.262 10.186 1.00 0.00 C ATOM 1226 O ALA A 82 6.104 -14.971 11.182 1.00 0.00 O ATOM 1227 CB ALA A 82 5.513 -11.925 10.856 1.00 0.00 C ATOM 0 H ALA A 82 3.724 -14.092 10.872 1.00 0.00 H new ATOM 0 HA ALA A 82 5.499 -12.748 8.893 1.00 0.00 H new ATOM 0 HB1 ALA A 82 6.541 -11.572 10.771 1.00 0.00 H new ATOM 0 HB2 ALA A 82 4.829 -11.117 10.595 1.00 0.00 H new ATOM 0 HB3 ALA A 82 5.323 -12.245 11.880 1.00 0.00 H new ATOM 1233 N ASP A 83 7.222 -14.420 9.293 1.00 0.00 N ATOM 1234 CA ASP A 83 8.205 -15.481 9.435 1.00 0.00 C ATOM 1235 C ASP A 83 9.112 -15.175 10.628 1.00 0.00 C ATOM 1236 O ASP A 83 9.508 -14.028 10.833 1.00 0.00 O ATOM 1237 CB ASP A 83 9.084 -15.586 8.187 1.00 0.00 C ATOM 1238 CG ASP A 83 8.418 -15.132 6.886 1.00 0.00 C ATOM 1239 OD1 ASP A 83 7.211 -15.416 6.737 1.00 0.00 O ATOM 1240 OD2 ASP A 83 9.133 -14.510 6.071 1.00 0.00 O ATOM 0 H ASP A 83 7.345 -13.832 8.469 1.00 0.00 H new ATOM 0 HA ASP A 83 7.670 -16.419 9.580 1.00 0.00 H new ATOM 0 HB2 ASP A 83 9.984 -14.991 8.344 1.00 0.00 H new ATOM 0 HB3 ASP A 83 9.403 -16.622 8.072 1.00 0.00 H new ATOM 1245 N GLU A 84 9.416 -16.221 11.383 1.00 0.00 N ATOM 1246 CA GLU A 84 10.270 -16.078 12.550 1.00 0.00 C ATOM 1247 C GLU A 84 11.491 -15.220 12.213 1.00 0.00 C ATOM 1248 O GLU A 84 11.991 -14.485 13.061 1.00 0.00 O ATOM 1249 CB GLU A 84 10.693 -17.445 13.091 1.00 0.00 C ATOM 1250 CG GLU A 84 10.221 -17.633 14.535 1.00 0.00 C ATOM 1251 CD GLU A 84 10.402 -19.083 14.987 1.00 0.00 C ATOM 1252 OE1 GLU A 84 9.773 -19.958 14.355 1.00 0.00 O ATOM 1253 OE2 GLU A 84 11.167 -19.284 15.953 1.00 0.00 O ATOM 0 H GLU A 84 9.086 -17.170 11.209 1.00 0.00 H new ATOM 0 HA GLU A 84 9.701 -15.575 13.332 1.00 0.00 H new ATOM 0 HB2 GLU A 84 10.277 -18.233 12.463 1.00 0.00 H new ATOM 0 HB3 GLU A 84 11.778 -17.539 13.044 1.00 0.00 H new ATOM 0 HG2 GLU A 84 10.782 -16.970 15.194 1.00 0.00 H new ATOM 0 HG3 GLU A 84 9.171 -17.351 14.618 1.00 0.00 H new ATOM 1260 N THR A 85 11.936 -15.346 10.972 1.00 0.00 N ATOM 1261 CA THR A 85 13.091 -14.591 10.511 1.00 0.00 C ATOM 1262 C THR A 85 12.706 -13.134 10.251 1.00 0.00 C ATOM 1263 O THR A 85 13.427 -12.216 10.643 1.00 0.00 O ATOM 1264 CB THR A 85 13.658 -15.299 9.279 1.00 0.00 C ATOM 1265 OG1 THR A 85 15.039 -14.946 9.282 1.00 0.00 O ATOM 1266 CG2 THR A 85 13.125 -14.712 7.971 1.00 0.00 C ATOM 0 H THR A 85 11.519 -15.959 10.271 1.00 0.00 H new ATOM 0 HA THR A 85 13.871 -14.558 11.272 1.00 0.00 H new ATOM 0 HB THR A 85 13.416 -16.361 9.325 1.00 0.00 H new ATOM 0 HG1 THR A 85 15.485 -15.364 8.516 1.00 0.00 H new ATOM 0 HG21 THR A 85 13.558 -15.250 7.128 1.00 0.00 H new ATOM 0 HG22 THR A 85 12.040 -14.809 7.944 1.00 0.00 H new ATOM 0 HG23 THR A 85 13.397 -13.658 7.908 1.00 0.00 H new ATOM 1274 N MET A 86 11.570 -12.964 9.591 1.00 0.00 N ATOM 1275 CA MET A 86 11.080 -11.633 9.273 1.00 0.00 C ATOM 1276 C MET A 86 10.933 -10.787 10.540 1.00 0.00 C ATOM 1277 O MET A 86 10.965 -9.559 10.476 1.00 0.00 O ATOM 1278 CB MET A 86 9.724 -11.742 8.572 1.00 0.00 C ATOM 1279 CG MET A 86 8.576 -11.541 9.563 1.00 0.00 C ATOM 1280 SD MET A 86 8.218 -9.801 9.739 1.00 0.00 S ATOM 1281 CE MET A 86 6.631 -9.727 8.922 1.00 0.00 C ATOM 0 H MET A 86 10.974 -13.726 9.267 1.00 0.00 H new ATOM 0 HA MET A 86 11.801 -11.148 8.615 1.00 0.00 H new ATOM 0 HB2 MET A 86 9.660 -10.996 7.779 1.00 0.00 H new ATOM 0 HB3 MET A 86 9.633 -12.719 8.098 1.00 0.00 H new ATOM 0 HG2 MET A 86 7.688 -12.070 9.216 1.00 0.00 H new ATOM 0 HG3 MET A 86 8.842 -11.966 10.531 1.00 0.00 H new ATOM 0 HE1 MET A 86 6.523 -8.764 8.424 1.00 0.00 H new ATOM 0 HE2 MET A 86 6.564 -10.527 8.184 1.00 0.00 H new ATOM 0 HE3 MET A 86 5.837 -9.846 9.659 1.00 0.00 H new ATOM 1291 N ALA A 87 10.775 -11.476 11.660 1.00 0.00 N ATOM 1292 CA ALA A 87 10.624 -10.803 12.939 1.00 0.00 C ATOM 1293 C ALA A 87 11.794 -9.839 13.144 1.00 0.00 C ATOM 1294 O ALA A 87 11.594 -8.632 13.270 1.00 0.00 O ATOM 1295 CB ALA A 87 10.523 -11.844 14.055 1.00 0.00 C ATOM 0 H ALA A 87 10.748 -12.494 11.709 1.00 0.00 H new ATOM 0 HA ALA A 87 9.706 -10.216 12.958 1.00 0.00 H new ATOM 0 HB1 ALA A 87 10.410 -11.339 15.014 1.00 0.00 H new ATOM 0 HB2 ALA A 87 9.659 -12.485 13.878 1.00 0.00 H new ATOM 0 HB3 ALA A 87 11.428 -12.451 14.069 1.00 0.00 H new ATOM 1301 N GLN A 88 12.990 -10.409 13.173 1.00 0.00 N ATOM 1302 CA GLN A 88 14.193 -9.615 13.362 1.00 0.00 C ATOM 1303 C GLN A 88 14.726 -9.131 12.012 1.00 0.00 C ATOM 1304 O GLN A 88 15.166 -7.990 11.887 1.00 0.00 O ATOM 1305 CB GLN A 88 15.259 -10.407 14.121 1.00 0.00 C ATOM 1306 CG GLN A 88 14.619 -11.482 15.003 1.00 0.00 C ATOM 1307 CD GLN A 88 14.802 -12.872 14.391 1.00 0.00 C ATOM 1308 OE1 GLN A 88 14.837 -12.879 13.063 1.00 0.00 O flip ATOM 1309 NE2 GLN A 88 14.904 -13.874 15.083 1.00 0.00 N flip ATOM 0 H GLN A 88 13.152 -11.411 13.069 1.00 0.00 H new ATOM 0 HA GLN A 88 13.939 -8.743 13.964 1.00 0.00 H new ATOM 0 HB2 GLN A 88 15.944 -10.873 13.413 1.00 0.00 H new ATOM 0 HB3 GLN A 88 15.850 -9.730 14.738 1.00 0.00 H new ATOM 0 HG2 GLN A 88 15.066 -11.456 15.997 1.00 0.00 H new ATOM 0 HG3 GLN A 88 13.557 -11.272 15.126 1.00 0.00 H new ATOM 0 HE21 GLN A 88 14.869 -13.798 16.100 1.00 0.00 H new ATOM 0 HE22 GLN A 88 15.024 -14.787 14.644 1.00 0.00 H new ATOM 1318 N GLN A 89 14.670 -10.024 11.034 1.00 0.00 N ATOM 1319 CA GLN A 89 15.143 -9.703 9.699 1.00 0.00 C ATOM 1320 C GLN A 89 14.694 -8.295 9.302 1.00 0.00 C ATOM 1321 O GLN A 89 15.525 -7.421 9.055 1.00 0.00 O ATOM 1322 CB GLN A 89 14.659 -10.738 8.682 1.00 0.00 C ATOM 1323 CG GLN A 89 15.537 -11.991 8.716 1.00 0.00 C ATOM 1324 CD GLN A 89 15.884 -12.456 7.300 1.00 0.00 C ATOM 1325 OE1 GLN A 89 15.024 -12.774 6.496 1.00 0.00 O ATOM 1326 NE2 GLN A 89 17.189 -12.477 7.042 1.00 0.00 N ATOM 0 H GLN A 89 14.304 -10.970 11.140 1.00 0.00 H new ATOM 0 HA GLN A 89 16.233 -9.729 9.705 1.00 0.00 H new ATOM 0 HB2 GLN A 89 13.625 -11.008 8.896 1.00 0.00 H new ATOM 0 HB3 GLN A 89 14.675 -10.305 7.682 1.00 0.00 H new ATOM 0 HG2 GLN A 89 16.453 -11.783 9.269 1.00 0.00 H new ATOM 0 HG3 GLN A 89 15.018 -12.789 9.248 1.00 0.00 H new ATOM 0 HE21 GLN A 89 17.856 -12.198 7.762 1.00 0.00 H new ATOM 0 HE22 GLN A 89 17.523 -12.772 6.125 1.00 0.00 H new ATOM 1335 N LEU A 90 13.383 -8.116 9.254 1.00 0.00 N ATOM 1336 CA LEU A 90 12.815 -6.830 8.891 1.00 0.00 C ATOM 1337 C LEU A 90 13.523 -5.725 9.678 1.00 0.00 C ATOM 1338 O LEU A 90 13.839 -4.672 9.128 1.00 0.00 O ATOM 1339 CB LEU A 90 11.296 -6.842 9.080 1.00 0.00 C ATOM 1340 CG LEU A 90 10.475 -7.331 7.886 1.00 0.00 C ATOM 1341 CD1 LEU A 90 10.926 -8.725 7.446 1.00 0.00 C ATOM 1342 CD2 LEU A 90 8.977 -7.282 8.192 1.00 0.00 C ATOM 0 H LEU A 90 12.697 -8.842 9.461 1.00 0.00 H new ATOM 0 HA LEU A 90 12.980 -6.626 7.833 1.00 0.00 H new ATOM 0 HB2 LEU A 90 11.062 -7.471 9.939 1.00 0.00 H new ATOM 0 HB3 LEU A 90 10.973 -5.831 9.328 1.00 0.00 H new ATOM 0 HG LEU A 90 10.653 -6.656 7.049 1.00 0.00 H new ATOM 0 HD11 LEU A 90 10.327 -9.050 6.596 1.00 0.00 H new ATOM 0 HD12 LEU A 90 11.977 -8.693 7.158 1.00 0.00 H new ATOM 0 HD13 LEU A 90 10.796 -9.426 8.270 1.00 0.00 H new ATOM 0 HD21 LEU A 90 8.417 -7.635 7.326 1.00 0.00 H new ATOM 0 HD22 LEU A 90 8.760 -7.919 9.049 1.00 0.00 H new ATOM 0 HD23 LEU A 90 8.685 -6.257 8.419 1.00 0.00 H new ATOM 1354 N VAL A 91 13.751 -6.003 10.953 1.00 0.00 N ATOM 1355 CA VAL A 91 14.418 -5.046 11.821 1.00 0.00 C ATOM 1356 C VAL A 91 15.758 -4.649 11.201 1.00 0.00 C ATOM 1357 O VAL A 91 16.353 -3.645 11.591 1.00 0.00 O ATOM 1358 CB VAL A 91 14.558 -5.626 13.230 1.00 0.00 C ATOM 1359 CG1 VAL A 91 14.845 -4.523 14.250 1.00 0.00 C ATOM 1360 CG2 VAL A 91 13.313 -6.425 13.620 1.00 0.00 C ATOM 0 H VAL A 91 13.486 -6.877 11.407 1.00 0.00 H new ATOM 0 HA VAL A 91 13.823 -4.138 11.916 1.00 0.00 H new ATOM 0 HB VAL A 91 15.407 -6.310 13.229 1.00 0.00 H new ATOM 0 HG11 VAL A 91 14.940 -4.962 15.243 1.00 0.00 H new ATOM 0 HG12 VAL A 91 15.774 -4.017 13.987 1.00 0.00 H new ATOM 0 HG13 VAL A 91 14.026 -3.804 14.248 1.00 0.00 H new ATOM 0 HG21 VAL A 91 13.438 -6.826 14.626 1.00 0.00 H new ATOM 0 HG22 VAL A 91 12.440 -5.773 13.596 1.00 0.00 H new ATOM 0 HG23 VAL A 91 13.172 -7.246 12.917 1.00 0.00 H new ATOM 1370 N ASP A 92 16.194 -5.455 10.245 1.00 0.00 N ATOM 1371 CA ASP A 92 17.454 -5.201 9.566 1.00 0.00 C ATOM 1372 C ASP A 92 17.264 -4.066 8.558 1.00 0.00 C ATOM 1373 O ASP A 92 17.787 -2.968 8.749 1.00 0.00 O ATOM 1374 CB ASP A 92 17.928 -6.439 8.803 1.00 0.00 C ATOM 1375 CG ASP A 92 18.046 -7.712 9.642 1.00 0.00 C ATOM 1376 OD1 ASP A 92 17.383 -7.756 10.701 1.00 0.00 O ATOM 1377 OD2 ASP A 92 18.795 -8.612 9.206 1.00 0.00 O ATOM 0 H ASP A 92 15.697 -6.286 9.924 1.00 0.00 H new ATOM 0 HA ASP A 92 18.197 -4.937 10.319 1.00 0.00 H new ATOM 0 HB2 ASP A 92 17.237 -6.627 7.981 1.00 0.00 H new ATOM 0 HB3 ASP A 92 18.900 -6.223 8.359 1.00 0.00 H new ATOM 1382 N ILE A 93 16.517 -4.369 7.509 1.00 0.00 N ATOM 1383 CA ILE A 93 16.252 -3.387 6.470 1.00 0.00 C ATOM 1384 C ILE A 93 15.436 -2.235 7.059 1.00 0.00 C ATOM 1385 O ILE A 93 15.755 -1.068 6.838 1.00 0.00 O ATOM 1386 CB ILE A 93 15.593 -4.051 5.260 1.00 0.00 C ATOM 1387 CG1 ILE A 93 14.068 -3.991 5.364 1.00 0.00 C ATOM 1388 CG2 ILE A 93 16.099 -5.484 5.078 1.00 0.00 C ATOM 1389 CD1 ILE A 93 13.540 -5.066 6.316 1.00 0.00 C ATOM 0 H ILE A 93 16.086 -5.280 7.355 1.00 0.00 H new ATOM 0 HA ILE A 93 17.186 -2.962 6.102 1.00 0.00 H new ATOM 0 HB ILE A 93 15.877 -3.493 4.368 1.00 0.00 H new ATOM 0 HG12 ILE A 93 13.763 -3.006 5.717 1.00 0.00 H new ATOM 0 HG13 ILE A 93 13.627 -4.127 4.376 1.00 0.00 H new ATOM 0 HG21 ILE A 93 15.615 -5.933 4.211 1.00 0.00 H new ATOM 0 HG22 ILE A 93 17.178 -5.472 4.925 1.00 0.00 H new ATOM 0 HG23 ILE A 93 15.865 -6.068 5.968 1.00 0.00 H new ATOM 0 HD11 ILE A 93 12.453 -5.001 6.372 1.00 0.00 H new ATOM 0 HD12 ILE A 93 13.826 -6.051 5.947 1.00 0.00 H new ATOM 0 HD13 ILE A 93 13.964 -4.913 7.309 1.00 0.00 H new ATOM 1401 N ILE A 94 14.399 -2.604 7.796 1.00 0.00 N ATOM 1402 CA ILE A 94 13.535 -1.615 8.419 1.00 0.00 C ATOM 1403 C ILE A 94 14.388 -0.633 9.225 1.00 0.00 C ATOM 1404 O ILE A 94 13.988 0.510 9.439 1.00 0.00 O ATOM 1405 CB ILE A 94 12.443 -2.301 9.242 1.00 0.00 C ATOM 1406 CG1 ILE A 94 11.576 -3.203 8.362 1.00 0.00 C ATOM 1407 CG2 ILE A 94 11.606 -1.273 10.008 1.00 0.00 C ATOM 1408 CD1 ILE A 94 10.088 -2.931 8.593 1.00 0.00 C ATOM 0 H ILE A 94 14.137 -3.573 7.976 1.00 0.00 H new ATOM 0 HA ILE A 94 13.012 -1.034 7.660 1.00 0.00 H new ATOM 0 HB ILE A 94 12.925 -2.940 9.981 1.00 0.00 H new ATOM 0 HG12 ILE A 94 11.821 -3.037 7.313 1.00 0.00 H new ATOM 0 HG13 ILE A 94 11.796 -4.248 8.579 1.00 0.00 H new ATOM 0 HG21 ILE A 94 10.837 -1.787 10.585 1.00 0.00 H new ATOM 0 HG22 ILE A 94 12.250 -0.710 10.683 1.00 0.00 H new ATOM 0 HG23 ILE A 94 11.134 -0.590 9.302 1.00 0.00 H new ATOM 0 HD11 ILE A 94 9.495 -3.586 7.955 1.00 0.00 H new ATOM 0 HD12 ILE A 94 9.841 -3.122 9.637 1.00 0.00 H new ATOM 0 HD13 ILE A 94 9.866 -1.891 8.352 1.00 0.00 H new ATOM 1420 N HIS A 95 15.547 -1.114 9.648 1.00 0.00 N ATOM 1421 CA HIS A 95 16.459 -0.294 10.425 1.00 0.00 C ATOM 1422 C HIS A 95 17.168 0.700 9.502 1.00 0.00 C ATOM 1423 O HIS A 95 17.521 1.801 9.924 1.00 0.00 O ATOM 1424 CB HIS A 95 17.436 -1.166 11.216 1.00 0.00 C ATOM 1425 CG HIS A 95 17.029 -1.393 12.653 1.00 0.00 C ATOM 1426 ND1 HIS A 95 17.943 -1.444 13.691 1.00 0.00 N ATOM 1427 CD2 HIS A 95 15.799 -1.582 13.213 1.00 0.00 C ATOM 1428 CE1 HIS A 95 17.282 -1.654 14.820 1.00 0.00 C ATOM 1429 NE2 HIS A 95 15.954 -1.740 14.521 1.00 0.00 N ATOM 0 H HIS A 95 15.876 -2.063 9.467 1.00 0.00 H new ATOM 0 HA HIS A 95 15.898 0.281 11.161 1.00 0.00 H new ATOM 0 HB2 HIS A 95 17.531 -2.131 10.719 1.00 0.00 H new ATOM 0 HB3 HIS A 95 18.421 -0.700 11.197 1.00 0.00 H new ATOM 0 HD2 HIS A 95 14.859 -1.600 12.682 1.00 0.00 H new ATOM 0 HE1 HIS A 95 17.718 -1.742 15.804 1.00 0.00 H new ATOM 0 HE2 HIS A 95 15.203 -1.900 15.193 1.00 0.00 H new ATOM 1438 N GLY A 96 17.354 0.278 8.260 1.00 0.00 N ATOM 1439 CA GLY A 96 18.013 1.116 7.275 1.00 0.00 C ATOM 1440 C GLY A 96 17.008 2.034 6.576 1.00 0.00 C ATOM 1441 O GLY A 96 17.379 3.084 6.054 1.00 0.00 O ATOM 0 H GLY A 96 17.059 -0.635 7.914 1.00 0.00 H new ATOM 0 HA2 GLY A 96 18.783 1.716 7.760 1.00 0.00 H new ATOM 0 HA3 GLY A 96 18.514 0.490 6.537 1.00 0.00 H new ATOM 1445 N CYS A 97 15.756 1.603 6.585 1.00 0.00 N ATOM 1446 CA CYS A 97 14.694 2.372 5.958 1.00 0.00 C ATOM 1447 C CYS A 97 14.108 3.324 7.004 1.00 0.00 C ATOM 1448 O CYS A 97 14.150 4.540 6.831 1.00 0.00 O ATOM 1449 CB CYS A 97 13.623 1.466 5.347 1.00 0.00 C ATOM 1450 SG CYS A 97 13.622 1.404 3.518 1.00 0.00 S ATOM 0 H CYS A 97 15.452 0.730 7.017 1.00 0.00 H new ATOM 0 HA CYS A 97 15.102 2.951 5.129 1.00 0.00 H new ATOM 0 HB2 CYS A 97 13.760 0.455 5.731 1.00 0.00 H new ATOM 0 HB3 CYS A 97 12.644 1.805 5.686 1.00 0.00 H new ATOM 1455 N GLU A 98 13.576 2.732 8.063 1.00 0.00 N ATOM 1456 CA GLU A 98 12.983 3.512 9.136 1.00 0.00 C ATOM 1457 C GLU A 98 13.899 4.678 9.513 1.00 0.00 C ATOM 1458 O GLU A 98 13.423 5.760 9.855 1.00 0.00 O ATOM 1459 CB GLU A 98 12.685 2.634 10.352 1.00 0.00 C ATOM 1460 CG GLU A 98 11.707 3.326 11.302 1.00 0.00 C ATOM 1461 CD GLU A 98 10.430 2.501 11.474 1.00 0.00 C ATOM 1462 OE1 GLU A 98 10.460 1.575 12.313 1.00 0.00 O ATOM 1463 OE2 GLU A 98 9.452 2.815 10.761 1.00 0.00 O ATOM 0 H GLU A 98 13.543 1.722 8.201 1.00 0.00 H new ATOM 0 HA GLU A 98 12.036 3.919 8.782 1.00 0.00 H new ATOM 0 HB2 GLU A 98 12.267 1.682 10.024 1.00 0.00 H new ATOM 0 HB3 GLU A 98 13.612 2.410 10.879 1.00 0.00 H new ATOM 0 HG2 GLU A 98 12.181 3.475 12.272 1.00 0.00 H new ATOM 0 HG3 GLU A 98 11.456 4.314 10.915 1.00 0.00 H new ATOM 1470 N LYS A 99 15.196 4.418 9.439 1.00 0.00 N ATOM 1471 CA LYS A 99 16.182 5.435 9.769 1.00 0.00 C ATOM 1472 C LYS A 99 16.195 6.501 8.673 1.00 0.00 C ATOM 1473 O LYS A 99 16.470 7.670 8.942 1.00 0.00 O ATOM 1474 CB LYS A 99 17.548 4.793 10.018 1.00 0.00 C ATOM 1475 CG LYS A 99 18.223 4.407 8.699 1.00 0.00 C ATOM 1476 CD LYS A 99 19.486 5.237 8.465 1.00 0.00 C ATOM 1477 CE LYS A 99 19.236 6.337 7.431 1.00 0.00 C ATOM 1478 NZ LYS A 99 20.192 6.220 6.309 1.00 0.00 N ATOM 0 H LYS A 99 15.587 3.520 9.156 1.00 0.00 H new ATOM 0 HA LYS A 99 15.916 5.937 10.699 1.00 0.00 H new ATOM 0 HB2 LYS A 99 18.185 5.487 10.567 1.00 0.00 H new ATOM 0 HB3 LYS A 99 17.429 3.907 10.642 1.00 0.00 H new ATOM 0 HG2 LYS A 99 18.478 3.347 8.713 1.00 0.00 H new ATOM 0 HG3 LYS A 99 17.527 4.556 7.873 1.00 0.00 H new ATOM 0 HD2 LYS A 99 19.811 5.683 9.405 1.00 0.00 H new ATOM 0 HD3 LYS A 99 20.293 4.589 8.124 1.00 0.00 H new ATOM 0 HE2 LYS A 99 18.215 6.266 7.056 1.00 0.00 H new ATOM 0 HE3 LYS A 99 19.336 7.315 7.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 20.008 6.974 5.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 21.163 6.310 6.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 20.078 5.294 5.851 1.00 0.00 H new ATOM 1492 N SER A 100 15.892 6.063 7.460 1.00 0.00 N ATOM 1493 CA SER A 100 15.864 6.967 6.322 1.00 0.00 C ATOM 1494 C SER A 100 14.433 7.439 6.063 1.00 0.00 C ATOM 1495 O SER A 100 14.208 8.332 5.247 1.00 0.00 O ATOM 1496 CB SER A 100 16.436 6.294 5.072 1.00 0.00 C ATOM 1497 OG SER A 100 17.535 7.022 4.531 1.00 0.00 O ATOM 0 H SER A 100 15.664 5.094 7.240 1.00 0.00 H new ATOM 0 HA SER A 100 16.487 7.831 6.555 1.00 0.00 H new ATOM 0 HB2 SER A 100 16.758 5.282 5.320 1.00 0.00 H new ATOM 0 HB3 SER A 100 15.654 6.204 4.318 1.00 0.00 H new ATOM 0 HG SER A 100 17.874 6.560 3.736 1.00 0.00 H new ATOM 1503 N ALA A 101 13.502 6.819 6.773 1.00 0.00 N ATOM 1504 CA ALA A 101 12.099 7.165 6.631 1.00 0.00 C ATOM 1505 C ALA A 101 11.569 7.694 7.966 1.00 0.00 C ATOM 1506 O ALA A 101 10.915 6.965 8.711 1.00 0.00 O ATOM 1507 CB ALA A 101 11.319 5.946 6.137 1.00 0.00 C ATOM 0 H ALA A 101 13.692 6.079 7.448 1.00 0.00 H new ATOM 0 HA ALA A 101 11.973 7.955 5.890 1.00 0.00 H new ATOM 0 HB1 ALA A 101 10.266 6.206 6.031 1.00 0.00 H new ATOM 0 HB2 ALA A 101 11.713 5.628 5.172 1.00 0.00 H new ATOM 0 HB3 ALA A 101 11.421 5.133 6.856 1.00 0.00 H new ATOM 1513 N PRO A 102 11.880 8.991 8.235 1.00 0.00 N ATOM 1514 CA PRO A 102 11.443 9.624 9.468 1.00 0.00 C ATOM 1515 C PRO A 102 9.951 9.957 9.414 1.00 0.00 C ATOM 1516 O PRO A 102 9.313 9.797 8.375 1.00 0.00 O ATOM 1517 CB PRO A 102 12.323 10.857 9.609 1.00 0.00 C ATOM 1518 CG PRO A 102 12.895 11.121 8.226 1.00 0.00 C ATOM 1519 CD PRO A 102 12.653 9.884 7.378 1.00 0.00 C ATOM 0 HA PRO A 102 11.549 8.974 10.336 1.00 0.00 H new ATOM 0 HB2 PRO A 102 11.745 11.711 9.962 1.00 0.00 H new ATOM 0 HB3 PRO A 102 13.118 10.688 10.335 1.00 0.00 H new ATOM 0 HG2 PRO A 102 12.418 11.992 7.776 1.00 0.00 H new ATOM 0 HG3 PRO A 102 13.961 11.338 8.289 1.00 0.00 H new ATOM 0 HD2 PRO A 102 12.107 10.129 6.467 1.00 0.00 H new ATOM 0 HD3 PRO A 102 13.593 9.424 7.072 1.00 0.00 H new ATOM 1527 N PRO A 103 9.424 10.426 10.577 1.00 0.00 N ATOM 1528 CA PRO A 103 8.020 10.784 10.673 1.00 0.00 C ATOM 1529 C PRO A 103 7.744 12.115 9.970 1.00 0.00 C ATOM 1530 O PRO A 103 7.010 12.954 10.490 1.00 0.00 O ATOM 1531 CB PRO A 103 7.725 10.826 12.162 1.00 0.00 C ATOM 1532 CG PRO A 103 9.074 10.949 12.852 1.00 0.00 C ATOM 1533 CD PRO A 103 10.151 10.629 11.828 1.00 0.00 C ATOM 0 HA PRO A 103 7.368 10.068 10.172 1.00 0.00 H new ATOM 0 HB2 PRO A 103 7.082 11.671 12.409 1.00 0.00 H new ATOM 0 HB3 PRO A 103 7.204 9.924 12.482 1.00 0.00 H new ATOM 0 HG2 PRO A 103 9.210 11.955 13.248 1.00 0.00 H new ATOM 0 HG3 PRO A 103 9.135 10.263 13.697 1.00 0.00 H new ATOM 0 HD2 PRO A 103 10.869 11.444 11.741 1.00 0.00 H new ATOM 0 HD3 PRO A 103 10.712 9.738 12.109 1.00 0.00 H new ATOM 1541 N ASN A 104 8.345 12.264 8.799 1.00 0.00 N ATOM 1542 CA ASN A 104 8.173 13.479 8.020 1.00 0.00 C ATOM 1543 C ASN A 104 6.696 13.639 7.652 1.00 0.00 C ATOM 1544 O ASN A 104 5.980 12.651 7.502 1.00 0.00 O ATOM 1545 CB ASN A 104 8.980 13.420 6.722 1.00 0.00 C ATOM 1546 CG ASN A 104 9.430 14.818 6.292 1.00 0.00 C ATOM 1547 OD1 ASN A 104 8.640 15.733 6.137 1.00 0.00 O ATOM 1548 ND2 ASN A 104 10.743 14.931 6.110 1.00 0.00 N ATOM 0 H ASN A 104 8.951 11.564 8.371 1.00 0.00 H new ATOM 0 HA ASN A 104 8.521 14.318 8.623 1.00 0.00 H new ATOM 0 HB2 ASN A 104 9.851 12.780 6.860 1.00 0.00 H new ATOM 0 HB3 ASN A 104 8.376 12.970 5.934 1.00 0.00 H new ATOM 0 HD21 ASN A 104 11.143 15.824 5.823 1.00 0.00 H new ATOM 0 HD22 ASN A 104 11.350 14.124 6.257 1.00 0.00 H new ATOM 1555 N ASP A 105 6.285 14.891 7.519 1.00 0.00 N ATOM 1556 CA ASP A 105 4.907 15.194 7.171 1.00 0.00 C ATOM 1557 C ASP A 105 4.537 14.454 5.884 1.00 0.00 C ATOM 1558 O ASP A 105 3.359 14.231 5.609 1.00 0.00 O ATOM 1559 CB ASP A 105 4.716 16.692 6.928 1.00 0.00 C ATOM 1560 CG ASP A 105 4.102 17.464 8.097 1.00 0.00 C ATOM 1561 OD1 ASP A 105 3.019 17.038 8.552 1.00 0.00 O ATOM 1562 OD2 ASP A 105 4.730 18.464 8.510 1.00 0.00 O ATOM 0 H ASP A 105 6.882 15.708 7.646 1.00 0.00 H new ATOM 0 HA ASP A 105 4.273 14.881 8.000 1.00 0.00 H new ATOM 0 HB2 ASP A 105 5.684 17.132 6.690 1.00 0.00 H new ATOM 0 HB3 ASP A 105 4.082 16.825 6.052 1.00 0.00 H new ATOM 1567 N ASP A 106 5.565 14.094 5.129 1.00 0.00 N ATOM 1568 CA ASP A 106 5.362 13.384 3.878 1.00 0.00 C ATOM 1569 C ASP A 106 5.207 11.890 4.163 1.00 0.00 C ATOM 1570 O ASP A 106 5.544 11.056 3.324 1.00 0.00 O ATOM 1571 CB ASP A 106 6.558 13.568 2.941 1.00 0.00 C ATOM 1572 CG ASP A 106 7.154 14.976 2.922 1.00 0.00 C ATOM 1573 OD1 ASP A 106 6.503 15.860 2.325 1.00 0.00 O ATOM 1574 OD2 ASP A 106 8.249 15.136 3.503 1.00 0.00 O ATOM 0 H ASP A 106 6.541 14.281 5.360 1.00 0.00 H new ATOM 0 HA ASP A 106 4.467 13.786 3.403 1.00 0.00 H new ATOM 0 HB2 ASP A 106 7.338 12.864 3.230 1.00 0.00 H new ATOM 0 HB3 ASP A 106 6.251 13.306 1.929 1.00 0.00 H new ATOM 1579 N LYS A 107 4.700 11.596 5.351 1.00 0.00 N ATOM 1580 CA LYS A 107 4.497 10.216 5.757 1.00 0.00 C ATOM 1581 C LYS A 107 3.960 9.412 4.571 1.00 0.00 C ATOM 1582 O LYS A 107 4.203 8.212 4.468 1.00 0.00 O ATOM 1583 CB LYS A 107 3.606 10.148 7.000 1.00 0.00 C ATOM 1584 CG LYS A 107 2.211 10.705 6.706 1.00 0.00 C ATOM 1585 CD LYS A 107 1.248 10.404 7.854 1.00 0.00 C ATOM 1586 CE LYS A 107 0.212 11.521 8.010 1.00 0.00 C ATOM 1587 NZ LYS A 107 -0.629 11.286 9.203 1.00 0.00 N ATOM 0 H LYS A 107 4.424 12.290 6.046 1.00 0.00 H new ATOM 0 HA LYS A 107 5.445 9.762 6.047 1.00 0.00 H new ATOM 0 HB2 LYS A 107 3.525 9.115 7.338 1.00 0.00 H new ATOM 0 HB3 LYS A 107 4.064 10.714 7.811 1.00 0.00 H new ATOM 0 HG2 LYS A 107 2.271 11.782 6.550 1.00 0.00 H new ATOM 0 HG3 LYS A 107 1.829 10.270 5.783 1.00 0.00 H new ATOM 0 HD2 LYS A 107 0.741 9.457 7.669 1.00 0.00 H new ATOM 0 HD3 LYS A 107 1.808 10.290 8.782 1.00 0.00 H new ATOM 0 HE2 LYS A 107 0.717 12.483 8.098 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -0.415 11.570 7.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -1.326 12.053 9.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -1.125 10.377 9.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -0.029 11.262 10.052 1.00 0.00 H new ATOM 1601 N CYS A 108 3.238 10.108 3.705 1.00 0.00 N ATOM 1602 CA CYS A 108 2.665 9.476 2.529 1.00 0.00 C ATOM 1603 C CYS A 108 3.792 8.792 1.753 1.00 0.00 C ATOM 1604 O CYS A 108 3.688 7.618 1.403 1.00 0.00 O ATOM 1605 CB CYS A 108 1.901 10.478 1.662 1.00 0.00 C ATOM 1606 SG CYS A 108 2.047 10.201 -0.141 1.00 0.00 S ATOM 0 H CYS A 108 3.037 11.104 3.794 1.00 0.00 H new ATOM 0 HA CYS A 108 1.932 8.730 2.836 1.00 0.00 H new ATOM 0 HB2 CYS A 108 0.847 10.445 1.936 1.00 0.00 H new ATOM 0 HB3 CYS A 108 2.258 11.482 1.891 1.00 0.00 H new ATOM 1611 N MET A 109 4.845 9.558 1.505 1.00 0.00 N ATOM 1612 CA MET A 109 5.992 9.042 0.777 1.00 0.00 C ATOM 1613 C MET A 109 7.134 8.688 1.731 1.00 0.00 C ATOM 1614 O MET A 109 8.162 8.162 1.306 1.00 0.00 O ATOM 1615 CB MET A 109 6.472 10.090 -0.230 1.00 0.00 C ATOM 1616 CG MET A 109 7.196 11.238 0.478 1.00 0.00 C ATOM 1617 SD MET A 109 7.081 12.727 -0.498 1.00 0.00 S ATOM 1618 CE MET A 109 8.649 13.479 -0.102 1.00 0.00 C ATOM 0 H MET A 109 4.928 10.532 1.796 1.00 0.00 H new ATOM 0 HA MET A 109 5.688 8.135 0.254 1.00 0.00 H new ATOM 0 HB2 MET A 109 7.141 9.625 -0.954 1.00 0.00 H new ATOM 0 HB3 MET A 109 5.621 10.481 -0.788 1.00 0.00 H new ATOM 0 HG2 MET A 109 6.757 11.404 1.462 1.00 0.00 H new ATOM 0 HG3 MET A 109 8.242 10.977 0.636 1.00 0.00 H new ATOM 0 HE1 MET A 109 8.712 14.459 -0.575 1.00 0.00 H new ATOM 0 HE2 MET A 109 8.736 13.592 0.979 1.00 0.00 H new ATOM 0 HE3 MET A 109 9.458 12.847 -0.467 1.00 0.00 H new ATOM 1628 N LYS A 110 6.916 8.991 3.002 1.00 0.00 N ATOM 1629 CA LYS A 110 7.915 8.712 4.020 1.00 0.00 C ATOM 1630 C LYS A 110 7.680 7.311 4.588 1.00 0.00 C ATOM 1631 O LYS A 110 8.366 6.362 4.213 1.00 0.00 O ATOM 1632 CB LYS A 110 7.920 9.814 5.082 1.00 0.00 C ATOM 1633 CG LYS A 110 9.349 10.243 5.419 1.00 0.00 C ATOM 1634 CD LYS A 110 9.900 11.196 4.356 1.00 0.00 C ATOM 1635 CE LYS A 110 10.952 10.500 3.488 1.00 0.00 C ATOM 1636 NZ LYS A 110 12.136 11.370 3.312 1.00 0.00 N ATOM 0 H LYS A 110 6.062 9.427 3.350 1.00 0.00 H new ATOM 0 HA LYS A 110 8.914 8.716 3.585 1.00 0.00 H new ATOM 0 HB2 LYS A 110 7.354 10.673 4.723 1.00 0.00 H new ATOM 0 HB3 LYS A 110 7.421 9.458 5.983 1.00 0.00 H new ATOM 0 HG2 LYS A 110 9.366 10.731 6.394 1.00 0.00 H new ATOM 0 HG3 LYS A 110 9.989 9.364 5.491 1.00 0.00 H new ATOM 0 HD2 LYS A 110 9.085 11.556 3.728 1.00 0.00 H new ATOM 0 HD3 LYS A 110 10.341 12.069 4.838 1.00 0.00 H new ATOM 0 HE2 LYS A 110 11.250 9.559 3.951 1.00 0.00 H new ATOM 0 HE3 LYS A 110 10.525 10.255 2.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 12.840 10.883 2.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 11.850 12.257 2.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 12.552 11.583 4.241 1.00 0.00 H new ATOM 1650 N THR A 111 6.708 7.226 5.483 1.00 0.00 N ATOM 1651 CA THR A 111 6.372 5.957 6.108 1.00 0.00 C ATOM 1652 C THR A 111 6.291 4.850 5.054 1.00 0.00 C ATOM 1653 O THR A 111 6.807 3.754 5.261 1.00 0.00 O ATOM 1654 CB THR A 111 5.073 6.144 6.893 1.00 0.00 C ATOM 1655 OG1 THR A 111 5.392 7.144 7.858 1.00 0.00 O ATOM 1656 CG2 THR A 111 4.715 4.916 7.734 1.00 0.00 C ATOM 0 H THR A 111 6.141 8.016 5.791 1.00 0.00 H new ATOM 0 HA THR A 111 7.147 5.643 6.807 1.00 0.00 H new ATOM 0 HB THR A 111 4.259 6.360 6.201 1.00 0.00 H new ATOM 0 HG1 THR A 111 4.604 7.329 8.410 1.00 0.00 H new ATOM 0 HG21 THR A 111 3.785 5.101 8.271 1.00 0.00 H new ATOM 0 HG22 THR A 111 4.591 4.052 7.082 1.00 0.00 H new ATOM 0 HG23 THR A 111 5.514 4.719 8.449 1.00 0.00 H new ATOM 1664 N ILE A 112 5.640 5.178 3.948 1.00 0.00 N ATOM 1665 CA ILE A 112 5.485 4.223 2.861 1.00 0.00 C ATOM 1666 C ILE A 112 6.832 3.558 2.577 1.00 0.00 C ATOM 1667 O ILE A 112 6.906 2.339 2.431 1.00 0.00 O ATOM 1668 CB ILE A 112 4.863 4.902 1.638 1.00 0.00 C ATOM 1669 CG1 ILE A 112 4.212 3.872 0.712 1.00 0.00 C ATOM 1670 CG2 ILE A 112 5.894 5.761 0.905 1.00 0.00 C ATOM 1671 CD1 ILE A 112 5.233 2.838 0.239 1.00 0.00 C ATOM 0 H ILE A 112 5.214 6.089 3.780 1.00 0.00 H new ATOM 0 HA ILE A 112 4.792 3.431 3.144 1.00 0.00 H new ATOM 0 HB ILE A 112 4.074 5.570 1.982 1.00 0.00 H new ATOM 0 HG12 ILE A 112 3.397 3.371 1.235 1.00 0.00 H new ATOM 0 HG13 ILE A 112 3.775 4.377 -0.149 1.00 0.00 H new ATOM 0 HG21 ILE A 112 5.426 6.232 0.040 1.00 0.00 H new ATOM 0 HG22 ILE A 112 6.271 6.531 1.578 1.00 0.00 H new ATOM 0 HG23 ILE A 112 6.721 5.133 0.573 1.00 0.00 H new ATOM 0 HD11 ILE A 112 4.744 2.118 -0.417 1.00 0.00 H new ATOM 0 HD12 ILE A 112 6.034 3.340 -0.305 1.00 0.00 H new ATOM 0 HD13 ILE A 112 5.650 2.318 1.101 1.00 0.00 H new ATOM 1683 N ASP A 113 7.863 4.387 2.507 1.00 0.00 N ATOM 1684 CA ASP A 113 9.204 3.893 2.242 1.00 0.00 C ATOM 1685 C ASP A 113 9.455 2.638 3.081 1.00 0.00 C ATOM 1686 O ASP A 113 10.007 1.657 2.588 1.00 0.00 O ATOM 1687 CB ASP A 113 10.258 4.934 2.620 1.00 0.00 C ATOM 1688 CG ASP A 113 11.480 4.980 1.699 1.00 0.00 C ATOM 1689 OD1 ASP A 113 12.260 4.004 1.742 1.00 0.00 O ATOM 1690 OD2 ASP A 113 11.607 5.990 0.975 1.00 0.00 O ATOM 0 H ASP A 113 7.797 5.398 2.629 1.00 0.00 H new ATOM 0 HA ASP A 113 9.279 3.674 1.177 1.00 0.00 H new ATOM 0 HB2 ASP A 113 9.789 5.918 2.627 1.00 0.00 H new ATOM 0 HB3 ASP A 113 10.595 4.735 3.637 1.00 0.00 H new ATOM 1695 N VAL A 114 9.039 2.714 4.337 1.00 0.00 N ATOM 1696 CA VAL A 114 9.213 1.595 5.250 1.00 0.00 C ATOM 1697 C VAL A 114 8.147 0.537 4.962 1.00 0.00 C ATOM 1698 O VAL A 114 8.468 -0.632 4.754 1.00 0.00 O ATOM 1699 CB VAL A 114 9.185 2.093 6.697 1.00 0.00 C ATOM 1700 CG1 VAL A 114 10.183 1.321 7.561 1.00 0.00 C ATOM 1701 CG2 VAL A 114 9.450 3.599 6.764 1.00 0.00 C ATOM 0 H VAL A 114 8.583 3.531 4.744 1.00 0.00 H new ATOM 0 HA VAL A 114 10.185 1.126 5.099 1.00 0.00 H new ATOM 0 HB VAL A 114 8.187 1.911 7.095 1.00 0.00 H new ATOM 0 HG11 VAL A 114 10.143 1.694 8.584 1.00 0.00 H new ATOM 0 HG12 VAL A 114 9.929 0.261 7.551 1.00 0.00 H new ATOM 0 HG13 VAL A 114 11.189 1.457 7.164 1.00 0.00 H new ATOM 0 HG21 VAL A 114 9.425 3.927 7.803 1.00 0.00 H new ATOM 0 HG22 VAL A 114 10.430 3.815 6.339 1.00 0.00 H new ATOM 0 HG23 VAL A 114 8.684 4.129 6.197 1.00 0.00 H new ATOM 1711 N ALA A 115 6.899 0.984 4.957 1.00 0.00 N ATOM 1712 CA ALA A 115 5.785 0.090 4.698 1.00 0.00 C ATOM 1713 C ALA A 115 6.065 -0.714 3.426 1.00 0.00 C ATOM 1714 O ALA A 115 5.481 -1.775 3.215 1.00 0.00 O ATOM 1715 CB ALA A 115 4.491 0.900 4.602 1.00 0.00 C ATOM 0 H ALA A 115 6.636 1.954 5.128 1.00 0.00 H new ATOM 0 HA ALA A 115 5.666 -0.620 5.517 1.00 0.00 H new ATOM 0 HB1 ALA A 115 3.655 0.228 4.408 1.00 0.00 H new ATOM 0 HB2 ALA A 115 4.322 1.428 5.541 1.00 0.00 H new ATOM 0 HB3 ALA A 115 4.573 1.622 3.789 1.00 0.00 H new ATOM 1721 N MET A 116 6.962 -0.176 2.612 1.00 0.00 N ATOM 1722 CA MET A 116 7.328 -0.828 1.367 1.00 0.00 C ATOM 1723 C MET A 116 8.683 -1.527 1.490 1.00 0.00 C ATOM 1724 O MET A 116 8.894 -2.590 0.908 1.00 0.00 O ATOM 1725 CB MET A 116 7.391 0.210 0.244 1.00 0.00 C ATOM 1726 CG MET A 116 6.122 0.169 -0.610 1.00 0.00 C ATOM 1727 SD MET A 116 5.998 -1.402 -1.445 1.00 0.00 S ATOM 1728 CE MET A 116 6.507 -0.924 -3.088 1.00 0.00 C ATOM 0 H MET A 116 7.446 0.704 2.791 1.00 0.00 H new ATOM 0 HA MET A 116 6.572 -1.579 1.138 1.00 0.00 H new ATOM 0 HB2 MET A 116 7.515 1.206 0.670 1.00 0.00 H new ATOM 0 HB3 MET A 116 8.262 0.021 -0.383 1.00 0.00 H new ATOM 0 HG2 MET A 116 5.246 0.326 0.019 1.00 0.00 H new ATOM 0 HG3 MET A 116 6.139 0.978 -1.340 1.00 0.00 H new ATOM 0 HE1 MET A 116 6.190 -1.684 -3.803 1.00 0.00 H new ATOM 0 HE2 MET A 116 6.050 0.031 -3.347 1.00 0.00 H new ATOM 0 HE3 MET A 116 7.592 -0.827 -3.119 1.00 0.00 H new ATOM 1738 N CYS A 117 9.567 -0.903 2.255 1.00 0.00 N ATOM 1739 CA CYS A 117 10.896 -1.452 2.465 1.00 0.00 C ATOM 1740 C CYS A 117 10.761 -2.952 2.733 1.00 0.00 C ATOM 1741 O CYS A 117 11.379 -3.767 2.051 1.00 0.00 O ATOM 1742 CB CYS A 117 11.633 -0.733 3.596 1.00 0.00 C ATOM 1743 SG CYS A 117 13.457 -0.737 3.448 1.00 0.00 S ATOM 0 H CYS A 117 9.389 -0.022 2.737 1.00 0.00 H new ATOM 0 HA CYS A 117 11.501 -1.298 1.571 1.00 0.00 H new ATOM 0 HB2 CYS A 117 11.288 0.300 3.636 1.00 0.00 H new ATOM 0 HB3 CYS A 117 11.358 -1.198 4.543 1.00 0.00 H new ATOM 1748 N PHE A 118 9.945 -3.270 3.728 1.00 0.00 N ATOM 1749 CA PHE A 118 9.720 -4.659 4.096 1.00 0.00 C ATOM 1750 C PHE A 118 9.019 -5.417 2.967 1.00 0.00 C ATOM 1751 O PHE A 118 9.292 -6.596 2.745 1.00 0.00 O ATOM 1752 CB PHE A 118 8.815 -4.651 5.329 1.00 0.00 C ATOM 1753 CG PHE A 118 8.032 -5.951 5.533 1.00 0.00 C ATOM 1754 CD1 PHE A 118 8.610 -7.147 5.242 1.00 0.00 C ATOM 1755 CD2 PHE A 118 6.756 -5.910 6.004 1.00 0.00 C ATOM 1756 CE1 PHE A 118 7.883 -8.352 5.429 1.00 0.00 C ATOM 1757 CE2 PHE A 118 6.030 -7.114 6.193 1.00 0.00 C ATOM 1758 CZ PHE A 118 6.608 -8.310 5.901 1.00 0.00 C ATOM 0 H PHE A 118 9.432 -2.591 4.290 1.00 0.00 H new ATOM 0 HA PHE A 118 10.672 -5.153 4.292 1.00 0.00 H new ATOM 0 HB2 PHE A 118 9.424 -4.463 6.213 1.00 0.00 H new ATOM 0 HB3 PHE A 118 8.111 -3.824 5.245 1.00 0.00 H new ATOM 0 HD1 PHE A 118 9.623 -7.180 4.868 1.00 0.00 H new ATOM 0 HD2 PHE A 118 6.296 -4.960 6.234 1.00 0.00 H new ATOM 0 HE1 PHE A 118 8.342 -9.302 5.197 1.00 0.00 H new ATOM 0 HE2 PHE A 118 5.018 -7.081 6.569 1.00 0.00 H new ATOM 0 HZ PHE A 118 6.055 -9.226 6.044 1.00 0.00 H new ATOM 1768 N LYS A 119 8.131 -4.711 2.285 1.00 0.00 N ATOM 1769 CA LYS A 119 7.389 -5.303 1.185 1.00 0.00 C ATOM 1770 C LYS A 119 8.360 -5.681 0.065 1.00 0.00 C ATOM 1771 O LYS A 119 8.137 -6.655 -0.653 1.00 0.00 O ATOM 1772 CB LYS A 119 6.263 -4.370 0.734 1.00 0.00 C ATOM 1773 CG LYS A 119 4.939 -5.128 0.610 1.00 0.00 C ATOM 1774 CD LYS A 119 3.999 -4.780 1.766 1.00 0.00 C ATOM 1775 CE LYS A 119 2.571 -5.244 1.469 1.00 0.00 C ATOM 1776 NZ LYS A 119 1.624 -4.114 1.588 1.00 0.00 N ATOM 0 H LYS A 119 7.908 -3.734 2.473 1.00 0.00 H new ATOM 0 HA LYS A 119 6.900 -6.222 1.507 1.00 0.00 H new ATOM 0 HB2 LYS A 119 6.154 -3.554 1.449 1.00 0.00 H new ATOM 0 HB3 LYS A 119 6.520 -3.921 -0.225 1.00 0.00 H new ATOM 0 HG2 LYS A 119 4.462 -4.881 -0.339 1.00 0.00 H new ATOM 0 HG3 LYS A 119 5.129 -6.201 0.602 1.00 0.00 H new ATOM 0 HD2 LYS A 119 4.355 -5.250 2.683 1.00 0.00 H new ATOM 0 HD3 LYS A 119 4.008 -3.703 1.935 1.00 0.00 H new ATOM 0 HE2 LYS A 119 2.520 -5.664 0.465 1.00 0.00 H new ATOM 0 HE3 LYS A 119 2.289 -6.037 2.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 0.660 -4.446 1.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 1.660 -3.731 2.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 1.885 -3.370 0.910 1.00 0.00 H new ATOM 1790 N LYS A 120 9.418 -4.892 -0.048 1.00 0.00 N ATOM 1791 CA LYS A 120 10.425 -5.132 -1.068 1.00 0.00 C ATOM 1792 C LYS A 120 11.103 -6.476 -0.804 1.00 0.00 C ATOM 1793 O LYS A 120 11.583 -7.127 -1.730 1.00 0.00 O ATOM 1794 CB LYS A 120 11.400 -3.955 -1.145 1.00 0.00 C ATOM 1795 CG LYS A 120 10.810 -2.806 -1.965 1.00 0.00 C ATOM 1796 CD LYS A 120 11.394 -2.785 -3.379 1.00 0.00 C ATOM 1797 CE LYS A 120 12.722 -2.027 -3.413 1.00 0.00 C ATOM 1798 NZ LYS A 120 13.859 -2.974 -3.421 1.00 0.00 N ATOM 0 H LYS A 120 9.600 -4.086 0.550 1.00 0.00 H new ATOM 0 HA LYS A 120 9.962 -5.198 -2.052 1.00 0.00 H new ATOM 0 HB2 LYS A 120 11.634 -3.606 -0.139 1.00 0.00 H new ATOM 0 HB3 LYS A 120 12.337 -4.283 -1.595 1.00 0.00 H new ATOM 0 HG2 LYS A 120 9.726 -2.911 -2.017 1.00 0.00 H new ATOM 0 HG3 LYS A 120 11.015 -1.857 -1.469 1.00 0.00 H new ATOM 0 HD2 LYS A 120 11.545 -3.806 -3.729 1.00 0.00 H new ATOM 0 HD3 LYS A 120 10.686 -2.316 -4.062 1.00 0.00 H new ATOM 0 HE2 LYS A 120 12.763 -1.393 -4.299 1.00 0.00 H new ATOM 0 HE3 LYS A 120 12.795 -1.370 -2.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 14.701 -2.503 -3.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 14.056 -3.288 -2.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 13.621 -3.798 -4.010 1.00 0.00 H new ATOM 1812 N GLU A 121 11.122 -6.853 0.467 1.00 0.00 N ATOM 1813 CA GLU A 121 11.734 -8.109 0.866 1.00 0.00 C ATOM 1814 C GLU A 121 11.082 -9.276 0.123 1.00 0.00 C ATOM 1815 O GLU A 121 11.715 -10.309 -0.095 1.00 0.00 O ATOM 1816 CB GLU A 121 11.646 -8.306 2.381 1.00 0.00 C ATOM 1817 CG GLU A 121 12.283 -7.129 3.125 1.00 0.00 C ATOM 1818 CD GLU A 121 13.806 -7.147 2.976 1.00 0.00 C ATOM 1819 OE1 GLU A 121 14.277 -6.691 1.911 1.00 0.00 O ATOM 1820 OE2 GLU A 121 14.465 -7.616 3.929 1.00 0.00 O ATOM 0 H GLU A 121 10.723 -6.310 1.233 1.00 0.00 H new ATOM 0 HA GLU A 121 12.790 -8.077 0.598 1.00 0.00 H new ATOM 0 HB2 GLU A 121 10.602 -8.407 2.678 1.00 0.00 H new ATOM 0 HB3 GLU A 121 12.148 -9.232 2.661 1.00 0.00 H new ATOM 0 HG2 GLU A 121 11.887 -6.191 2.736 1.00 0.00 H new ATOM 0 HG3 GLU A 121 12.017 -7.174 4.181 1.00 0.00 H new ATOM 1827 N ILE A 122 9.826 -9.076 -0.245 1.00 0.00 N ATOM 1828 CA ILE A 122 9.081 -10.098 -0.959 1.00 0.00 C ATOM 1829 C ILE A 122 9.468 -10.064 -2.439 1.00 0.00 C ATOM 1830 O ILE A 122 9.606 -11.111 -3.072 1.00 0.00 O ATOM 1831 CB ILE A 122 7.580 -9.938 -0.712 1.00 0.00 C ATOM 1832 CG1 ILE A 122 7.311 -9.364 0.680 1.00 0.00 C ATOM 1833 CG2 ILE A 122 6.844 -11.261 -0.937 1.00 0.00 C ATOM 1834 CD1 ILE A 122 8.153 -10.076 1.740 1.00 0.00 C ATOM 0 H ILE A 122 9.304 -8.219 -0.062 1.00 0.00 H new ATOM 0 HA ILE A 122 9.338 -11.089 -0.584 1.00 0.00 H new ATOM 0 HB ILE A 122 7.189 -9.223 -1.436 1.00 0.00 H new ATOM 0 HG12 ILE A 122 7.537 -8.298 0.687 1.00 0.00 H new ATOM 0 HG13 ILE A 122 6.253 -9.467 0.921 1.00 0.00 H new ATOM 0 HG21 ILE A 122 5.779 -11.120 -0.755 1.00 0.00 H new ATOM 0 HG22 ILE A 122 6.996 -11.592 -1.964 1.00 0.00 H new ATOM 0 HG23 ILE A 122 7.233 -12.015 -0.252 1.00 0.00 H new ATOM 0 HD11 ILE A 122 7.942 -9.648 2.720 1.00 0.00 H new ATOM 0 HD12 ILE A 122 7.907 -11.138 1.747 1.00 0.00 H new ATOM 0 HD13 ILE A 122 9.211 -9.950 1.509 1.00 0.00 H new ATOM 1846 N HIS A 123 9.631 -8.853 -2.948 1.00 0.00 N ATOM 1847 CA HIS A 123 9.998 -8.669 -4.341 1.00 0.00 C ATOM 1848 C HIS A 123 11.189 -9.569 -4.681 1.00 0.00 C ATOM 1849 O HIS A 123 11.427 -9.875 -5.847 1.00 0.00 O ATOM 1850 CB HIS A 123 10.265 -7.194 -4.644 1.00 0.00 C ATOM 1851 CG HIS A 123 11.724 -6.865 -4.861 1.00 0.00 C ATOM 1852 ND1 HIS A 123 12.162 -6.040 -5.882 1.00 0.00 N ATOM 1853 CD2 HIS A 123 12.836 -7.258 -4.178 1.00 0.00 C ATOM 1854 CE1 HIS A 123 13.482 -5.947 -5.807 1.00 0.00 C ATOM 1855 NE2 HIS A 123 13.897 -6.704 -4.751 1.00 0.00 N ATOM 0 H HIS A 123 9.516 -7.988 -2.420 1.00 0.00 H new ATOM 0 HA HIS A 123 9.167 -8.966 -4.981 1.00 0.00 H new ATOM 0 HB2 HIS A 123 9.703 -6.909 -5.533 1.00 0.00 H new ATOM 0 HB3 HIS A 123 9.886 -6.590 -3.820 1.00 0.00 H new ATOM 0 HD2 HIS A 123 12.851 -7.910 -3.317 1.00 0.00 H new ATOM 0 HE1 HIS A 123 14.117 -5.373 -6.466 1.00 0.00 H new ATOM 0 HE2 HIS A 123 14.864 -6.825 -4.451 1.00 0.00 H new ATOM 1864 N LYS A 124 11.905 -9.968 -3.639 1.00 0.00 N ATOM 1865 CA LYS A 124 13.064 -10.825 -3.812 1.00 0.00 C ATOM 1866 C LYS A 124 12.671 -12.272 -3.508 1.00 0.00 C ATOM 1867 O LYS A 124 13.505 -13.067 -3.075 1.00 0.00 O ATOM 1868 CB LYS A 124 14.236 -10.317 -2.971 1.00 0.00 C ATOM 1869 CG LYS A 124 13.917 -10.400 -1.477 1.00 0.00 C ATOM 1870 CD LYS A 124 15.196 -10.536 -0.649 1.00 0.00 C ATOM 1871 CE LYS A 124 15.805 -11.930 -0.807 1.00 0.00 C ATOM 1872 NZ LYS A 124 16.979 -11.884 -1.707 1.00 0.00 N ATOM 0 H LYS A 124 11.704 -9.713 -2.672 1.00 0.00 H new ATOM 0 HA LYS A 124 13.408 -10.797 -4.846 1.00 0.00 H new ATOM 0 HB2 LYS A 124 15.127 -10.906 -3.189 1.00 0.00 H new ATOM 0 HB3 LYS A 124 14.462 -9.285 -3.241 1.00 0.00 H new ATOM 0 HG2 LYS A 124 13.373 -9.508 -1.168 1.00 0.00 H new ATOM 0 HG3 LYS A 124 13.265 -11.253 -1.288 1.00 0.00 H new ATOM 0 HD2 LYS A 124 15.918 -9.782 -0.962 1.00 0.00 H new ATOM 0 HD3 LYS A 124 14.975 -10.349 0.402 1.00 0.00 H new ATOM 0 HE2 LYS A 124 16.102 -12.316 0.168 1.00 0.00 H new ATOM 0 HE3 LYS A 124 15.059 -12.616 -1.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 16.880 -12.611 -2.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 17.039 -10.946 -2.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 17.844 -12.063 -1.158 1.00 0.00 H new ATOM 1886 N LEU A 125 11.404 -12.571 -3.748 1.00 0.00 N ATOM 1887 CA LEU A 125 10.891 -13.909 -3.505 1.00 0.00 C ATOM 1888 C LEU A 125 11.887 -14.938 -4.044 1.00 0.00 C ATOM 1889 O LEU A 125 12.914 -15.198 -3.419 1.00 0.00 O ATOM 1890 CB LEU A 125 9.483 -14.057 -4.084 1.00 0.00 C ATOM 1891 CG LEU A 125 9.120 -13.096 -5.219 1.00 0.00 C ATOM 1892 CD1 LEU A 125 10.283 -12.946 -6.203 1.00 0.00 C ATOM 1893 CD2 LEU A 125 7.831 -13.534 -5.917 1.00 0.00 C ATOM 0 H LEU A 125 10.716 -11.910 -4.109 1.00 0.00 H new ATOM 0 HA LEU A 125 10.792 -14.089 -2.435 1.00 0.00 H new ATOM 0 HB2 LEU A 125 9.367 -15.078 -4.448 1.00 0.00 H new ATOM 0 HB3 LEU A 125 8.763 -13.922 -3.276 1.00 0.00 H new ATOM 0 HG LEU A 125 8.934 -12.112 -4.788 1.00 0.00 H new ATOM 0 HD11 LEU A 125 9.999 -12.258 -7.000 1.00 0.00 H new ATOM 0 HD12 LEU A 125 11.155 -12.554 -5.679 1.00 0.00 H new ATOM 0 HD13 LEU A 125 10.524 -13.918 -6.632 1.00 0.00 H new ATOM 0 HD21 LEU A 125 7.596 -12.834 -6.719 1.00 0.00 H new ATOM 0 HD22 LEU A 125 7.964 -14.532 -6.334 1.00 0.00 H new ATOM 0 HD23 LEU A 125 7.014 -13.548 -5.196 1.00 0.00 H new ATOM 1905 N ASN A 126 11.549 -15.496 -5.197 1.00 0.00 N ATOM 1906 CA ASN A 126 12.401 -16.489 -5.827 1.00 0.00 C ATOM 1907 C ASN A 126 13.149 -15.847 -6.997 1.00 0.00 C ATOM 1908 O ASN A 126 14.261 -16.254 -7.326 1.00 0.00 O ATOM 1909 CB ASN A 126 11.577 -17.655 -6.375 1.00 0.00 C ATOM 1910 CG ASN A 126 12.410 -18.520 -7.322 1.00 0.00 C ATOM 1911 OD1 ASN A 126 13.282 -19.270 -6.914 1.00 0.00 O ATOM 1912 ND2 ASN A 126 12.095 -18.374 -8.607 1.00 0.00 N ATOM 0 H ASN A 126 10.696 -15.279 -5.712 1.00 0.00 H new ATOM 0 HA ASN A 126 13.096 -16.861 -5.074 1.00 0.00 H new ATOM 0 HB2 ASN A 126 11.209 -18.264 -5.549 1.00 0.00 H new ATOM 0 HB3 ASN A 126 10.703 -17.271 -6.902 1.00 0.00 H new ATOM 0 HD21 ASN A 126 12.595 -18.908 -9.318 1.00 0.00 H new ATOM 0 HD22 ASN A 126 11.354 -17.729 -8.880 1.00 0.00 H new ATOM 1919 N TRP A 127 12.507 -14.853 -7.593 1.00 0.00 N ATOM 1920 CA TRP A 127 13.098 -14.150 -8.720 1.00 0.00 C ATOM 1921 C TRP A 127 13.500 -12.751 -8.246 1.00 0.00 C ATOM 1922 O TRP A 127 12.820 -12.156 -7.411 1.00 0.00 O ATOM 1923 CB TRP A 127 12.141 -14.125 -9.913 1.00 0.00 C ATOM 1924 CG TRP A 127 10.688 -13.822 -9.540 1.00 0.00 C ATOM 1925 CD1 TRP A 127 9.726 -14.687 -9.193 1.00 0.00 C ATOM 1926 CD2 TRP A 127 10.068 -12.518 -9.490 1.00 0.00 C ATOM 1927 NE1 TRP A 127 8.537 -14.041 -8.925 1.00 0.00 N ATOM 1928 CE2 TRP A 127 8.751 -12.680 -9.111 1.00 0.00 C ATOM 1929 CE3 TRP A 127 10.602 -11.246 -9.757 1.00 0.00 C ATOM 1930 CZ2 TRP A 127 7.859 -11.612 -8.964 1.00 0.00 C ATOM 1931 CZ3 TRP A 127 9.697 -10.188 -9.606 1.00 0.00 C ATOM 1932 CH2 TRP A 127 8.369 -10.335 -9.224 1.00 0.00 C ATOM 0 H TRP A 127 11.584 -14.518 -7.317 1.00 0.00 H new ATOM 0 HA TRP A 127 13.990 -14.668 -9.073 1.00 0.00 H new ATOM 0 HB2 TRP A 127 12.486 -13.376 -10.626 1.00 0.00 H new ATOM 0 HB3 TRP A 127 12.182 -15.090 -10.419 1.00 0.00 H new ATOM 0 HD1 TRP A 127 9.864 -15.756 -9.131 1.00 0.00 H new ATOM 0 HE1 TRP A 127 7.661 -14.481 -8.642 1.00 0.00 H new ATOM 0 HE3 TRP A 127 11.629 -11.096 -10.055 1.00 0.00 H new ATOM 0 HZ2 TRP A 127 6.832 -11.765 -8.666 1.00 0.00 H new ATOM 0 HZ3 TRP A 127 10.056 -9.188 -9.800 1.00 0.00 H new ATOM 0 HH2 TRP A 127 7.733 -9.467 -9.128 1.00 0.00 H new ATOM 1943 N VAL A 128 14.601 -12.267 -8.802 1.00 0.00 N ATOM 1944 CA VAL A 128 15.101 -10.951 -8.447 1.00 0.00 C ATOM 1945 C VAL A 128 15.066 -10.047 -9.681 1.00 0.00 C ATOM 1946 O VAL A 128 15.790 -10.282 -10.648 1.00 0.00 O ATOM 1947 CB VAL A 128 16.497 -11.069 -7.832 1.00 0.00 C ATOM 1948 CG1 VAL A 128 17.133 -9.690 -7.646 1.00 0.00 C ATOM 1949 CG2 VAL A 128 16.449 -11.834 -6.507 1.00 0.00 C ATOM 0 H VAL A 128 15.160 -12.763 -9.496 1.00 0.00 H new ATOM 0 HA VAL A 128 14.465 -10.493 -7.690 1.00 0.00 H new ATOM 0 HB VAL A 128 17.121 -11.635 -8.524 1.00 0.00 H new ATOM 0 HG11 VAL A 128 18.124 -9.803 -7.207 1.00 0.00 H new ATOM 0 HG12 VAL A 128 17.218 -9.195 -8.613 1.00 0.00 H new ATOM 0 HG13 VAL A 128 16.510 -9.088 -6.984 1.00 0.00 H new ATOM 0 HG21 VAL A 128 17.454 -11.904 -6.091 1.00 0.00 H new ATOM 0 HG22 VAL A 128 15.802 -11.307 -5.806 1.00 0.00 H new ATOM 0 HG23 VAL A 128 16.057 -12.836 -6.680 1.00 0.00 H new ATOM 1959 N PRO A 129 14.193 -9.007 -9.607 1.00 0.00 N ATOM 1960 CA PRO A 129 14.056 -8.067 -10.708 1.00 0.00 C ATOM 1961 C PRO A 129 15.248 -7.109 -10.764 1.00 0.00 C ATOM 1962 O PRO A 129 15.069 -5.895 -10.842 1.00 0.00 O ATOM 1963 CB PRO A 129 12.735 -7.357 -10.455 1.00 0.00 C ATOM 1964 CG PRO A 129 12.410 -7.591 -8.989 1.00 0.00 C ATOM 1965 CD PRO A 129 13.320 -8.698 -8.480 1.00 0.00 C ATOM 0 HA PRO A 129 14.051 -8.557 -11.682 1.00 0.00 H new ATOM 0 HB2 PRO A 129 12.816 -6.292 -10.672 1.00 0.00 H new ATOM 0 HB3 PRO A 129 11.949 -7.754 -11.097 1.00 0.00 H new ATOM 0 HG2 PRO A 129 12.562 -6.678 -8.414 1.00 0.00 H new ATOM 0 HG3 PRO A 129 11.364 -7.872 -8.870 1.00 0.00 H new ATOM 0 HD2 PRO A 129 13.894 -8.372 -7.613 1.00 0.00 H new ATOM 0 HD3 PRO A 129 12.746 -9.572 -8.172 1.00 0.00 H new ATOM 1973 N ASN A 130 16.437 -7.692 -10.720 1.00 0.00 N ATOM 1974 CA ASN A 130 17.657 -6.906 -10.766 1.00 0.00 C ATOM 1975 C ASN A 130 17.533 -5.840 -11.858 1.00 0.00 C ATOM 1976 O ASN A 130 18.044 -4.732 -11.709 1.00 0.00 O ATOM 1977 CB ASN A 130 18.867 -7.783 -11.096 1.00 0.00 C ATOM 1978 CG ASN A 130 20.119 -7.286 -10.373 1.00 0.00 C ATOM 1979 OD1 ASN A 130 20.146 -7.121 -9.165 1.00 0.00 O ATOM 1980 ND2 ASN A 130 21.153 -7.056 -11.178 1.00 0.00 N ATOM 0 H ASN A 130 16.581 -8.700 -10.653 1.00 0.00 H new ATOM 0 HA ASN A 130 17.800 -6.450 -9.787 1.00 0.00 H new ATOM 0 HB2 ASN A 130 18.662 -8.814 -10.808 1.00 0.00 H new ATOM 0 HB3 ASN A 130 19.039 -7.781 -12.172 1.00 0.00 H new ATOM 0 HD21 ASN A 130 22.035 -6.721 -10.792 1.00 0.00 H new ATOM 0 HD22 ASN A 130 21.063 -7.215 -12.182 1.00 0.00 H new ATOM 1987 N MET A 131 16.854 -6.216 -12.930 1.00 0.00 N ATOM 1988 CA MET A 131 16.655 -5.309 -14.047 1.00 0.00 C ATOM 1989 C MET A 131 15.219 -4.783 -14.078 1.00 0.00 C ATOM 1990 O MET A 131 14.288 -5.527 -14.383 1.00 0.00 O ATOM 1991 CB MET A 131 16.961 -6.035 -15.358 1.00 0.00 C ATOM 1992 CG MET A 131 18.209 -5.454 -16.028 1.00 0.00 C ATOM 1993 SD MET A 131 18.624 -6.412 -17.475 1.00 0.00 S ATOM 1994 CE MET A 131 19.241 -5.115 -18.538 1.00 0.00 C ATOM 0 H MET A 131 16.434 -7.138 -13.049 1.00 0.00 H new ATOM 0 HA MET A 131 17.330 -4.462 -13.925 1.00 0.00 H new ATOM 0 HB2 MET A 131 17.109 -7.097 -15.164 1.00 0.00 H new ATOM 0 HB3 MET A 131 16.109 -5.950 -16.032 1.00 0.00 H new ATOM 0 HG2 MET A 131 18.032 -4.415 -16.307 1.00 0.00 H new ATOM 0 HG3 MET A 131 19.044 -5.458 -15.327 1.00 0.00 H new ATOM 0 HE1 MET A 131 19.547 -5.542 -19.493 1.00 0.00 H new ATOM 0 HE2 MET A 131 18.456 -4.377 -18.705 1.00 0.00 H new ATOM 0 HE3 MET A 131 20.097 -4.633 -18.065 1.00 0.00 H new ATOM 2004 N ASP A 132 15.083 -3.503 -13.761 1.00 0.00 N ATOM 2005 CA ASP A 132 13.775 -2.870 -13.750 1.00 0.00 C ATOM 2006 C ASP A 132 13.829 -1.584 -14.577 1.00 0.00 C ATOM 2007 O ASP A 132 14.663 -0.714 -14.327 1.00 0.00 O ATOM 2008 CB ASP A 132 13.356 -2.498 -12.326 1.00 0.00 C ATOM 2009 CG ASP A 132 11.961 -1.883 -12.201 1.00 0.00 C ATOM 2010 OD1 ASP A 132 11.021 -2.491 -12.758 1.00 0.00 O ATOM 2011 OD2 ASP A 132 11.866 -0.817 -11.556 1.00 0.00 O ATOM 0 H ASP A 132 15.857 -2.888 -13.510 1.00 0.00 H new ATOM 0 HA ASP A 132 13.055 -3.575 -14.166 1.00 0.00 H new ATOM 0 HB2 ASP A 132 13.399 -3.393 -11.706 1.00 0.00 H new ATOM 0 HB3 ASP A 132 14.084 -1.795 -11.921 1.00 0.00 H new ATOM 2016 N LEU A 133 12.930 -1.504 -15.547 1.00 0.00 N ATOM 2017 CA LEU A 133 12.865 -0.340 -16.414 1.00 0.00 C ATOM 2018 C LEU A 133 13.085 0.923 -15.579 1.00 0.00 C ATOM 2019 O LEU A 133 12.243 1.285 -14.758 1.00 0.00 O ATOM 2020 CB LEU A 133 11.556 -0.333 -17.205 1.00 0.00 C ATOM 2021 CG LEU A 133 10.357 0.321 -16.513 1.00 0.00 C ATOM 2022 CD1 LEU A 133 10.157 -0.250 -15.108 1.00 0.00 C ATOM 2023 CD2 LEU A 133 10.494 1.843 -16.501 1.00 0.00 C ATOM 0 H LEU A 133 12.240 -2.227 -15.752 1.00 0.00 H new ATOM 0 HA LEU A 133 13.660 -0.374 -17.159 1.00 0.00 H new ATOM 0 HB2 LEU A 133 11.729 0.180 -18.151 1.00 0.00 H new ATOM 0 HB3 LEU A 133 11.294 -1.363 -17.445 1.00 0.00 H new ATOM 0 HG LEU A 133 9.460 0.085 -17.086 1.00 0.00 H new ATOM 0 HD11 LEU A 133 9.299 0.231 -14.638 1.00 0.00 H new ATOM 0 HD12 LEU A 133 9.980 -1.324 -15.173 1.00 0.00 H new ATOM 0 HD13 LEU A 133 11.049 -0.065 -14.510 1.00 0.00 H new ATOM 0 HD21 LEU A 133 9.629 2.282 -16.004 1.00 0.00 H new ATOM 0 HD22 LEU A 133 11.401 2.122 -15.965 1.00 0.00 H new ATOM 0 HD23 LEU A 133 10.549 2.211 -17.525 1.00 0.00 H new ATOM 2035 N VAL A 134 14.223 1.562 -15.819 1.00 0.00 N ATOM 2036 CA VAL A 134 14.564 2.776 -15.099 1.00 0.00 C ATOM 2037 C VAL A 134 14.646 3.942 -16.086 1.00 0.00 C ATOM 2038 O VAL A 134 14.779 5.096 -15.681 1.00 0.00 O ATOM 2039 CB VAL A 134 15.858 2.571 -14.309 1.00 0.00 C ATOM 2040 CG1 VAL A 134 17.075 2.581 -15.237 1.00 0.00 C ATOM 2041 CG2 VAL A 134 16.000 3.623 -13.207 1.00 0.00 C ATOM 0 H VAL A 134 14.919 1.261 -16.501 1.00 0.00 H new ATOM 0 HA VAL A 134 13.790 3.018 -14.371 1.00 0.00 H new ATOM 0 HB VAL A 134 15.808 1.592 -13.833 1.00 0.00 H new ATOM 0 HG11 VAL A 134 17.981 2.433 -14.650 1.00 0.00 H new ATOM 0 HG12 VAL A 134 16.982 1.778 -15.968 1.00 0.00 H new ATOM 0 HG13 VAL A 134 17.130 3.539 -15.755 1.00 0.00 H new ATOM 0 HG21 VAL A 134 16.928 3.455 -12.661 1.00 0.00 H new ATOM 0 HG22 VAL A 134 16.017 4.617 -13.653 1.00 0.00 H new ATOM 0 HG23 VAL A 134 15.156 3.548 -12.521 1.00 0.00 H new ATOM 2051 N ILE A 135 14.563 3.601 -17.364 1.00 0.00 N ATOM 2052 CA ILE A 135 14.625 4.605 -18.412 1.00 0.00 C ATOM 2053 C ILE A 135 13.226 4.817 -18.994 1.00 0.00 C ATOM 2054 O ILE A 135 12.952 5.851 -19.600 1.00 0.00 O ATOM 2055 CB ILE A 135 15.673 4.222 -19.458 1.00 0.00 C ATOM 2056 CG1 ILE A 135 15.678 2.713 -19.704 1.00 0.00 C ATOM 2057 CG2 ILE A 135 17.058 4.743 -19.064 1.00 0.00 C ATOM 2058 CD1 ILE A 135 16.586 1.996 -18.702 1.00 0.00 C ATOM 0 H ILE A 135 14.453 2.643 -17.697 1.00 0.00 H new ATOM 0 HA ILE A 135 14.949 5.562 -18.003 1.00 0.00 H new ATOM 0 HB ILE A 135 15.404 4.700 -20.400 1.00 0.00 H new ATOM 0 HG12 ILE A 135 14.663 2.325 -19.623 1.00 0.00 H new ATOM 0 HG13 ILE A 135 16.018 2.508 -20.719 1.00 0.00 H new ATOM 0 HG21 ILE A 135 17.784 4.457 -19.825 1.00 0.00 H new ATOM 0 HG22 ILE A 135 17.028 5.829 -18.981 1.00 0.00 H new ATOM 0 HG23 ILE A 135 17.349 4.314 -18.105 1.00 0.00 H new ATOM 0 HD11 ILE A 135 16.571 0.924 -18.900 1.00 0.00 H new ATOM 0 HD12 ILE A 135 17.605 2.369 -18.803 1.00 0.00 H new ATOM 0 HD13 ILE A 135 16.229 2.183 -17.689 1.00 0.00 H new ATOM 2070 N GLY A 136 12.376 3.821 -18.788 1.00 0.00 N ATOM 2071 CA GLY A 136 11.012 3.886 -19.282 1.00 0.00 C ATOM 2072 C GLY A 136 10.966 3.642 -20.792 1.00 0.00 C ATOM 2073 O GLY A 136 10.112 4.191 -21.488 1.00 0.00 O ATOM 0 H GLY A 136 12.607 2.964 -18.285 1.00 0.00 H new ATOM 0 HA2 GLY A 136 10.400 3.143 -18.771 1.00 0.00 H new ATOM 0 HA3 GLY A 136 10.585 4.862 -19.054 1.00 0.00 H new ATOM 2077 N GLU A 137 11.894 2.819 -21.255 1.00 0.00 N ATOM 2078 CA GLU A 137 11.969 2.494 -22.671 1.00 0.00 C ATOM 2079 C GLU A 137 12.077 0.981 -22.864 1.00 0.00 C ATOM 2080 O GLU A 137 12.259 0.240 -21.899 1.00 0.00 O ATOM 2081 CB GLU A 137 13.142 3.216 -23.336 1.00 0.00 C ATOM 2082 CG GLU A 137 12.661 4.444 -24.112 1.00 0.00 C ATOM 2083 CD GLU A 137 13.452 4.616 -25.411 1.00 0.00 C ATOM 2084 OE1 GLU A 137 14.573 4.065 -25.470 1.00 0.00 O ATOM 2085 OE2 GLU A 137 12.918 5.295 -26.314 1.00 0.00 O ATOM 0 H GLU A 137 12.601 2.367 -20.676 1.00 0.00 H new ATOM 0 HA GLU A 137 11.053 2.837 -23.152 1.00 0.00 H new ATOM 0 HB2 GLU A 137 13.864 3.520 -22.578 1.00 0.00 H new ATOM 0 HB3 GLU A 137 13.658 2.534 -24.011 1.00 0.00 H new ATOM 0 HG2 GLU A 137 11.600 4.343 -24.339 1.00 0.00 H new ATOM 0 HG3 GLU A 137 12.771 5.335 -23.494 1.00 0.00 H new ATOM 2092 N VAL A 138 11.957 0.567 -24.117 1.00 0.00 N ATOM 2093 CA VAL A 138 12.038 -0.844 -24.449 1.00 0.00 C ATOM 2094 C VAL A 138 13.450 -1.355 -24.155 1.00 0.00 C ATOM 2095 O VAL A 138 14.412 -0.935 -24.796 1.00 0.00 O ATOM 2096 CB VAL A 138 11.614 -1.066 -25.902 1.00 0.00 C ATOM 2097 CG1 VAL A 138 10.230 -0.474 -26.166 1.00 0.00 C ATOM 2098 CG2 VAL A 138 12.651 -0.489 -26.869 1.00 0.00 C ATOM 0 H VAL A 138 11.804 1.185 -24.914 1.00 0.00 H new ATOM 0 HA VAL A 138 11.349 -1.420 -23.831 1.00 0.00 H new ATOM 0 HB VAL A 138 11.556 -2.141 -26.074 1.00 0.00 H new ATOM 0 HG11 VAL A 138 9.953 -0.646 -27.206 1.00 0.00 H new ATOM 0 HG12 VAL A 138 9.500 -0.951 -25.513 1.00 0.00 H new ATOM 0 HG13 VAL A 138 10.249 0.598 -25.968 1.00 0.00 H new ATOM 0 HG21 VAL A 138 12.326 -0.660 -27.895 1.00 0.00 H new ATOM 0 HG22 VAL A 138 12.755 0.582 -26.695 1.00 0.00 H new ATOM 0 HG23 VAL A 138 13.612 -0.978 -26.706 1.00 0.00 H new ATOM 2108 N LEU A 139 13.531 -2.251 -23.182 1.00 0.00 N ATOM 2109 CA LEU A 139 14.810 -2.822 -22.794 1.00 0.00 C ATOM 2110 C LEU A 139 14.611 -3.727 -21.576 1.00 0.00 C ATOM 2111 O LEU A 139 14.961 -4.906 -21.611 1.00 0.00 O ATOM 2112 CB LEU A 139 15.845 -1.716 -22.576 1.00 0.00 C ATOM 2113 CG LEU A 139 17.089 -1.777 -23.466 1.00 0.00 C ATOM 2114 CD1 LEU A 139 17.458 -0.387 -23.987 1.00 0.00 C ATOM 2115 CD2 LEU A 139 18.255 -2.446 -22.735 1.00 0.00 C ATOM 0 H LEU A 139 12.731 -2.596 -22.651 1.00 0.00 H new ATOM 0 HA LEU A 139 15.208 -3.447 -23.594 1.00 0.00 H new ATOM 0 HB2 LEU A 139 15.358 -0.754 -22.732 1.00 0.00 H new ATOM 0 HB3 LEU A 139 16.166 -1.746 -21.535 1.00 0.00 H new ATOM 0 HG LEU A 139 16.859 -2.395 -24.334 1.00 0.00 H new ATOM 0 HD11 LEU A 139 18.345 -0.458 -24.617 1.00 0.00 H new ATOM 0 HD12 LEU A 139 16.630 0.014 -24.571 1.00 0.00 H new ATOM 0 HD13 LEU A 139 17.663 0.275 -23.145 1.00 0.00 H new ATOM 0 HD21 LEU A 139 19.126 -2.476 -23.390 1.00 0.00 H new ATOM 0 HD22 LEU A 139 18.496 -1.877 -21.837 1.00 0.00 H new ATOM 0 HD23 LEU A 139 17.975 -3.462 -22.457 1.00 0.00 H new ATOM 2127 N ALA A 140 14.051 -3.141 -20.529 1.00 0.00 N ATOM 2128 CA ALA A 140 13.801 -3.880 -19.303 1.00 0.00 C ATOM 2129 C ALA A 140 12.400 -4.492 -19.358 1.00 0.00 C ATOM 2130 O ALA A 140 11.582 -4.105 -20.189 1.00 0.00 O ATOM 2131 CB ALA A 140 13.986 -2.952 -18.101 1.00 0.00 C ATOM 0 H ALA A 140 13.763 -2.163 -20.504 1.00 0.00 H new ATOM 0 HA ALA A 140 14.513 -4.698 -19.196 1.00 0.00 H new ATOM 0 HB1 ALA A 140 13.798 -3.506 -17.181 1.00 0.00 H new ATOM 0 HB2 ALA A 140 15.006 -2.568 -18.092 1.00 0.00 H new ATOM 0 HB3 ALA A 140 13.285 -2.120 -18.172 1.00 0.00 H new ATOM 2137 N GLU A 141 12.167 -5.438 -18.460 1.00 0.00 N ATOM 2138 CA GLU A 141 10.879 -6.109 -18.396 1.00 0.00 C ATOM 2139 C GLU A 141 9.811 -5.154 -17.863 1.00 0.00 C ATOM 2140 O GLU A 141 9.533 -5.133 -16.664 1.00 0.00 O ATOM 2141 CB GLU A 141 10.962 -7.374 -17.538 1.00 0.00 C ATOM 2142 CG GLU A 141 9.623 -8.114 -17.525 1.00 0.00 C ATOM 2143 CD GLU A 141 9.710 -9.420 -18.318 1.00 0.00 C ATOM 2144 OE1 GLU A 141 10.168 -9.348 -19.479 1.00 0.00 O ATOM 2145 OE2 GLU A 141 9.319 -10.460 -17.744 1.00 0.00 O ATOM 0 H GLU A 141 12.848 -5.756 -17.771 1.00 0.00 H new ATOM 0 HA GLU A 141 10.597 -6.412 -19.404 1.00 0.00 H new ATOM 0 HB2 GLU A 141 11.741 -8.031 -17.925 1.00 0.00 H new ATOM 0 HB3 GLU A 141 11.246 -7.109 -16.519 1.00 0.00 H new ATOM 0 HG2 GLU A 141 9.332 -8.328 -16.497 1.00 0.00 H new ATOM 0 HG3 GLU A 141 8.847 -7.477 -17.950 1.00 0.00 H new ATOM 2152 N VAL A 142 9.240 -4.384 -18.779 1.00 0.00 N ATOM 2153 CA VAL A 142 8.207 -3.429 -18.416 1.00 0.00 C ATOM 2154 C VAL A 142 8.597 -2.735 -17.110 1.00 0.00 C ATOM 2155 O VAL A 142 7.733 -2.358 -16.320 1.00 0.00 O ATOM 2156 CB VAL A 142 6.850 -4.130 -18.338 1.00 0.00 C ATOM 2157 CG1 VAL A 142 6.453 -4.711 -19.697 1.00 0.00 C ATOM 2158 CG2 VAL A 142 6.853 -5.215 -17.258 1.00 0.00 C ATOM 0 H VAL A 142 9.474 -4.403 -19.772 1.00 0.00 H new ATOM 0 HA VAL A 142 8.115 -2.657 -19.180 1.00 0.00 H new ATOM 0 HB VAL A 142 6.105 -3.384 -18.062 1.00 0.00 H new ATOM 0 HG11 VAL A 142 5.484 -5.204 -19.613 1.00 0.00 H new ATOM 0 HG12 VAL A 142 6.389 -3.908 -20.431 1.00 0.00 H new ATOM 0 HG13 VAL A 142 7.202 -5.436 -20.016 1.00 0.00 H new ATOM 0 HG21 VAL A 142 5.876 -5.697 -17.224 1.00 0.00 H new ATOM 0 HG22 VAL A 142 7.616 -5.958 -17.490 1.00 0.00 H new ATOM 0 HG23 VAL A 142 7.069 -4.764 -16.290 1.00 0.00 H new TER 2168 VAL A 142