USER MOD reduce.3.24.130724 H: found=0, std=0, add=1126, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 1124 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 51 TYR OH : rot 65:sc= 0.557 USER MOD Set 1.2: A 57 CYS SG : rot -80:sc= -1.08! USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -125:sc= -0.0892 (180deg=-1.35!) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 ASN : amide:sc= -1.22 X(o=-1.2,f=-1.1!) USER MOD Single : A 9 THR OG1 : rot -25:sc= 0.83 USER MOD Single : A 13 HIS : no HD1:sc= -0.533 K(o=-0.53,f=-5!) USER MOD Single : A 18 HIS : no HE2:sc= -3.22 K(o=-3.2,f=-5.7!) USER MOD Single : A 22 ASN : amide:sc= -6.28! C(o=-6.3!,f=-7.6!) USER MOD Single : A 24 LYS NZ :NH3+ -143:sc= -0.297 (180deg=-1.63!) USER MOD Single : A 28 SER OG : rot 92:sc= 0.16 USER MOD Single : A 29 GLN : amide:sc= -0.0292 X(o=-0.029,f=0) USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 MET CE :methyl 176:sc= -1.2 (180deg=-1.25) USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ -146:sc= -0.466 (180deg=-1.75) USER MOD Single : A 47 THR OG1 : rot 180:sc= -1.14 USER MOD Single : A 53 SER OG : rot 180:sc= 0.0247 USER MOD Single : A 54 ASN : amide:sc= -2.61! K(o=-2.6!,f=0.42) USER MOD Single : A 56 CYS SG : rot 24:sc= 0.413 USER MOD Single : A 60 TYR OH : rot 180:sc= -0.0676 USER MOD Single : A 62 THR OG1 : rot 78:sc= 0.0812 USER MOD Single : A 70 ASN : amide:sc= -0.0335 X(o=-0.034,f=-0.39) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 170:sc= -1.51 (180deg=-1.63) USER MOD Single : A 81 ASN : amide:sc= -1.06 X(o=-1.1,f=-0.85) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 ASN : amide:sc=-0.00254 X(o=-0.0025,f=-0.12) USER MOD Single : A 84 ASN : amide:sc= -0.0617 K(o=-0.062,f=-2.3!) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 THR OG1 : rot -150:sc= -1.52 USER MOD Single : A 96 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 97 SER OG : rot -150:sc= -0.812! USER MOD Single : A 99 GLN : amide:sc= -1.25! K(o=-1.3!,f=-0.28) USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD Single : A 105 GLN : amide:sc= -0.899 K(o=-0.9,f=-2.1!) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 THR OG1 : rot -160:sc= -1.46 USER MOD Single : A 114 MET CE :methyl 165:sc= 0 (180deg=-0.0451) USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD Single : A 122 GLN : amide:sc= 0.143 X(o=0.14,f=0) USER MOD Single : A 123 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 126 SER OG : rot -35:sc= -2.11! USER MOD Single : A 127 CYS SG : rot 180:sc= 0 USER MOD Single : A 131 GLN : amide:sc= -0.0253 K(o=-0.025,f=-0.53) USER MOD Single : A 134 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 136 GLN : amide:sc= -0.305 X(o=-0.3,f=-0.3) USER MOD Single : A 137 THR OG1 : rot 25:sc= 0.501 USER MOD Single : A 138 LYS NZ :NH3+ -153:sc= -0.0192 (180deg=-0.562) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -26.672 -41.763 -2.214 1.00 0.00 N ATOM 2 CA MET A 1 -27.302 -40.455 -1.880 1.00 0.00 C ATOM 3 C MET A 1 -26.235 -39.365 -1.889 1.00 0.00 C ATOM 4 O MET A 1 -25.062 -39.634 -2.144 1.00 0.00 O ATOM 5 CB MET A 1 -27.949 -40.540 -0.495 1.00 0.00 C ATOM 6 CG MET A 1 -29.058 -41.593 -0.513 1.00 0.00 C ATOM 7 SD MET A 1 -30.639 -40.800 -0.900 1.00 0.00 S ATOM 8 CE MET A 1 -31.711 -42.145 -0.337 1.00 0.00 C ATOM 0 H1 MET A 1 -27.166 -42.189 -3.024 1.00 0.00 H new ATOM 0 H2 MET A 1 -25.672 -41.615 -2.457 1.00 0.00 H new ATOM 0 H3 MET A 1 -26.738 -42.400 -1.394 1.00 0.00 H new ATOM 0 HA MET A 1 -28.068 -40.215 -2.618 1.00 0.00 H new ATOM 0 HB2 MET A 1 -27.199 -40.799 0.253 1.00 0.00 H new ATOM 0 HB3 MET A 1 -28.359 -39.570 -0.213 1.00 0.00 H new ATOM 0 HG2 MET A 1 -28.833 -42.360 -1.254 1.00 0.00 H new ATOM 0 HG3 MET A 1 -29.116 -42.091 0.455 1.00 0.00 H new ATOM 0 HE1 MET A 1 -32.754 -41.865 -0.486 1.00 0.00 H new ATOM 0 HE2 MET A 1 -31.492 -43.048 -0.908 1.00 0.00 H new ATOM 0 HE3 MET A 1 -31.533 -42.333 0.722 1.00 0.00 H new ATOM 20 N GLU A 2 -26.651 -38.135 -1.609 1.00 0.00 N ATOM 21 CA GLU A 2 -25.721 -37.012 -1.587 1.00 0.00 C ATOM 22 C GLU A 2 -26.432 -35.737 -1.149 1.00 0.00 C ATOM 23 O GLU A 2 -27.351 -35.265 -1.819 1.00 0.00 O ATOM 24 CB GLU A 2 -25.114 -36.808 -2.976 1.00 0.00 C ATOM 25 CG GLU A 2 -23.816 -36.006 -2.854 1.00 0.00 C ATOM 26 CD GLU A 2 -23.172 -35.847 -4.227 1.00 0.00 C ATOM 27 OE1 GLU A 2 -22.924 -36.858 -4.864 1.00 0.00 O ATOM 28 OE2 GLU A 2 -22.935 -34.716 -4.621 1.00 0.00 O ATOM 0 H GLU A 2 -27.618 -37.891 -1.396 1.00 0.00 H new ATOM 0 HA GLU A 2 -24.928 -37.236 -0.874 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -24.915 -37.773 -3.443 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -25.820 -36.282 -3.619 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -24.023 -35.026 -2.424 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -23.128 -36.512 -2.177 1.00 0.00 H new ATOM 35 N LYS A 3 -26.001 -35.183 -0.021 1.00 0.00 N ATOM 36 CA LYS A 3 -26.605 -33.960 0.497 1.00 0.00 C ATOM 37 C LYS A 3 -25.748 -32.749 0.142 1.00 0.00 C ATOM 38 O LYS A 3 -25.965 -32.102 -0.883 1.00 0.00 O ATOM 39 CB LYS A 3 -26.758 -34.054 2.016 1.00 0.00 C ATOM 40 CG LYS A 3 -28.207 -34.404 2.361 1.00 0.00 C ATOM 41 CD LYS A 3 -28.262 -35.046 3.748 1.00 0.00 C ATOM 42 CE LYS A 3 -29.692 -35.503 4.045 1.00 0.00 C ATOM 43 NZ LYS A 3 -29.659 -36.844 4.693 1.00 0.00 N ATOM 0 H LYS A 3 -25.242 -35.557 0.548 1.00 0.00 H new ATOM 0 HA LYS A 3 -27.588 -33.841 0.042 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -26.084 -34.813 2.414 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -26.481 -33.107 2.480 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -28.824 -33.506 2.340 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -28.614 -35.088 1.616 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -27.581 -35.896 3.794 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -27.933 -34.333 4.504 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -30.187 -34.784 4.697 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -30.270 -35.547 3.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -30.630 -37.156 4.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -29.202 -37.527 4.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -29.122 -36.787 5.582 1.00 0.00 H new ATOM 57 N ASN A 4 -24.776 -32.448 0.996 1.00 0.00 N ATOM 58 CA ASN A 4 -23.894 -31.311 0.759 1.00 0.00 C ATOM 59 C ASN A 4 -22.509 -31.572 1.344 1.00 0.00 C ATOM 60 O ASN A 4 -21.964 -30.739 2.067 1.00 0.00 O ATOM 61 CB ASN A 4 -24.488 -30.052 1.394 1.00 0.00 C ATOM 62 CG ASN A 4 -24.590 -30.229 2.904 1.00 0.00 C ATOM 63 OD1 ASN A 4 -23.691 -29.822 3.640 1.00 0.00 O ATOM 64 ND2 ASN A 4 -25.639 -30.815 3.413 1.00 0.00 N ATOM 0 H ASN A 4 -24.580 -32.969 1.850 1.00 0.00 H new ATOM 0 HA ASN A 4 -23.798 -31.168 -0.317 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -23.864 -29.189 1.162 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -25.475 -29.854 0.975 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -25.715 -30.937 4.423 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -26.382 -31.151 2.801 1.00 0.00 H new ATOM 71 N PRO A 5 -21.939 -32.707 1.039 1.00 0.00 N ATOM 72 CA PRO A 5 -20.586 -33.091 1.539 1.00 0.00 C ATOM 73 C PRO A 5 -19.479 -32.251 0.897 1.00 0.00 C ATOM 74 O PRO A 5 -19.208 -32.381 -0.297 1.00 0.00 O ATOM 75 CB PRO A 5 -20.452 -34.563 1.139 1.00 0.00 C ATOM 76 CG PRO A 5 -21.397 -34.760 -0.001 1.00 0.00 C ATOM 77 CD PRO A 5 -22.527 -33.747 0.183 1.00 0.00 C ATOM 0 HA PRO A 5 -20.485 -32.927 2.612 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -19.429 -34.797 0.844 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -20.702 -35.219 1.973 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -20.891 -34.606 -0.954 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -21.787 -35.778 -0.008 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -22.856 -33.338 -0.773 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -23.399 -34.203 0.651 1.00 0.00 H new ATOM 85 N PRO A 6 -18.840 -31.397 1.659 1.00 0.00 N ATOM 86 CA PRO A 6 -17.746 -30.525 1.145 1.00 0.00 C ATOM 87 C PRO A 6 -16.733 -31.302 0.308 1.00 0.00 C ATOM 88 O PRO A 6 -15.962 -32.104 0.835 1.00 0.00 O ATOM 89 CB PRO A 6 -17.093 -29.973 2.413 1.00 0.00 C ATOM 90 CG PRO A 6 -18.157 -30.014 3.457 1.00 0.00 C ATOM 91 CD PRO A 6 -19.090 -31.170 3.093 1.00 0.00 C ATOM 0 HA PRO A 6 -18.124 -29.747 0.481 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -16.232 -30.575 2.705 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -16.733 -28.956 2.259 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -17.723 -30.164 4.445 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -18.704 -29.072 3.489 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -18.870 -32.060 3.682 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -20.133 -30.914 3.280 1.00 0.00 H new ATOM 99 N ASP A 7 -16.738 -31.056 -0.999 1.00 0.00 N ATOM 100 CA ASP A 7 -15.813 -31.736 -1.898 1.00 0.00 C ATOM 101 C ASP A 7 -15.098 -30.728 -2.788 1.00 0.00 C ATOM 102 O ASP A 7 -14.898 -30.967 -3.980 1.00 0.00 O ATOM 103 CB ASP A 7 -16.571 -32.742 -2.766 1.00 0.00 C ATOM 104 CG ASP A 7 -17.403 -32.008 -3.811 1.00 0.00 C ATOM 105 OD1 ASP A 7 -18.125 -31.100 -3.434 1.00 0.00 O ATOM 106 OD2 ASP A 7 -17.306 -32.364 -4.974 1.00 0.00 O ATOM 0 H ASP A 7 -17.367 -30.396 -1.456 1.00 0.00 H new ATOM 0 HA ASP A 7 -15.072 -32.264 -1.298 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -15.867 -33.414 -3.257 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -17.218 -33.358 -2.142 1.00 0.00 H new ATOM 111 N ASP A 8 -14.714 -29.599 -2.202 1.00 0.00 N ATOM 112 CA ASP A 8 -14.020 -28.558 -2.949 1.00 0.00 C ATOM 113 C ASP A 8 -14.938 -27.951 -4.006 1.00 0.00 C ATOM 114 O ASP A 8 -14.995 -28.426 -5.140 1.00 0.00 O ATOM 115 CB ASP A 8 -12.777 -29.139 -3.626 1.00 0.00 C ATOM 116 CG ASP A 8 -12.000 -30.001 -2.638 1.00 0.00 C ATOM 117 OD1 ASP A 8 -11.315 -29.438 -1.799 1.00 0.00 O ATOM 118 OD2 ASP A 8 -12.100 -31.213 -2.733 1.00 0.00 O ATOM 0 H ASP A 8 -14.871 -29.383 -1.218 1.00 0.00 H new ATOM 0 HA ASP A 8 -13.722 -27.776 -2.250 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -13.069 -29.735 -4.490 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -12.143 -28.333 -3.995 1.00 0.00 H new ATOM 123 N THR A 9 -15.652 -26.897 -3.627 1.00 0.00 N ATOM 124 CA THR A 9 -16.562 -26.230 -4.550 1.00 0.00 C ATOM 125 C THR A 9 -15.920 -24.960 -5.099 1.00 0.00 C ATOM 126 O THR A 9 -16.535 -24.223 -5.871 1.00 0.00 O ATOM 127 CB THR A 9 -17.867 -25.877 -3.833 1.00 0.00 C ATOM 128 OG1 THR A 9 -18.756 -25.253 -4.748 1.00 0.00 O ATOM 129 CG2 THR A 9 -17.572 -24.923 -2.674 1.00 0.00 C ATOM 0 H THR A 9 -15.619 -26.488 -2.693 1.00 0.00 H new ATOM 0 HA THR A 9 -16.777 -26.906 -5.378 1.00 0.00 H new ATOM 0 HB THR A 9 -18.326 -26.786 -3.445 1.00 0.00 H new ATOM 0 HG1 THR A 9 -18.242 -24.827 -5.465 1.00 0.00 H new ATOM 0 HG21 THR A 9 -18.502 -24.672 -2.164 1.00 0.00 H new ATOM 0 HG22 THR A 9 -16.891 -25.403 -1.972 1.00 0.00 H new ATOM 0 HG23 THR A 9 -17.113 -24.013 -3.060 1.00 0.00 H new ATOM 137 N GLY A 10 -14.681 -24.713 -4.693 1.00 0.00 N ATOM 138 CA GLY A 10 -13.957 -23.532 -5.143 1.00 0.00 C ATOM 139 C GLY A 10 -12.615 -23.417 -4.429 1.00 0.00 C ATOM 140 O GLY A 10 -11.561 -23.646 -5.023 1.00 0.00 O ATOM 0 H GLY A 10 -14.158 -25.313 -4.055 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -13.798 -23.585 -6.220 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -14.553 -22.640 -4.953 1.00 0.00 H new ATOM 144 N PRO A 11 -12.642 -23.072 -3.171 1.00 0.00 N ATOM 145 CA PRO A 11 -11.407 -22.926 -2.349 1.00 0.00 C ATOM 146 C PRO A 11 -10.735 -24.272 -2.091 1.00 0.00 C ATOM 147 O PRO A 11 -11.342 -25.182 -1.528 1.00 0.00 O ATOM 148 CB PRO A 11 -11.904 -22.304 -1.042 1.00 0.00 C ATOM 149 CG PRO A 11 -13.356 -22.644 -0.959 1.00 0.00 C ATOM 150 CD PRO A 11 -13.859 -22.784 -2.396 1.00 0.00 C ATOM 0 HA PRO A 11 -10.652 -22.319 -2.848 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -11.359 -22.703 -0.186 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -11.754 -21.224 -1.040 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -13.505 -23.571 -0.405 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -13.906 -21.865 -0.431 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -14.590 -23.588 -2.487 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -14.345 -21.871 -2.740 1.00 0.00 H new ATOM 158 N VAL A 12 -9.481 -24.393 -2.511 1.00 0.00 N ATOM 159 CA VAL A 12 -8.740 -25.635 -2.325 1.00 0.00 C ATOM 160 C VAL A 12 -8.115 -25.691 -0.935 1.00 0.00 C ATOM 161 O VAL A 12 -8.350 -26.629 -0.174 1.00 0.00 O ATOM 162 CB VAL A 12 -7.644 -25.755 -3.383 1.00 0.00 C ATOM 163 CG1 VAL A 12 -6.652 -26.842 -2.966 1.00 0.00 C ATOM 164 CG2 VAL A 12 -8.274 -26.130 -4.727 1.00 0.00 C ATOM 0 H VAL A 12 -8.959 -23.652 -2.979 1.00 0.00 H new ATOM 0 HA VAL A 12 -9.438 -26.466 -2.428 1.00 0.00 H new ATOM 0 HB VAL A 12 -7.123 -24.803 -3.478 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -5.869 -26.929 -3.720 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -6.205 -26.578 -2.007 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -7.174 -27.795 -2.873 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -7.494 -26.216 -5.483 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -8.794 -27.083 -4.632 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -8.984 -25.358 -5.024 1.00 0.00 H new ATOM 174 N HIS A 13 -7.312 -24.685 -0.616 1.00 0.00 N ATOM 175 CA HIS A 13 -6.649 -24.632 0.682 1.00 0.00 C ATOM 176 C HIS A 13 -6.906 -23.296 1.369 1.00 0.00 C ATOM 177 O HIS A 13 -6.048 -22.780 2.084 1.00 0.00 O ATOM 178 CB HIS A 13 -5.145 -24.833 0.505 1.00 0.00 C ATOM 179 CG HIS A 13 -4.573 -23.678 -0.269 1.00 0.00 C ATOM 180 ND1 HIS A 13 -5.210 -23.145 -1.380 1.00 0.00 N ATOM 181 CD2 HIS A 13 -3.427 -22.941 -0.105 1.00 0.00 C ATOM 182 CE1 HIS A 13 -4.450 -22.132 -1.837 1.00 0.00 C ATOM 183 NE2 HIS A 13 -3.351 -21.966 -1.096 1.00 0.00 N ATOM 0 H HIS A 13 -7.104 -23.899 -1.232 1.00 0.00 H new ATOM 0 HA HIS A 13 -7.055 -25.428 1.306 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -4.660 -24.908 1.478 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -4.952 -25.768 -0.020 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -2.695 -23.094 0.674 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -4.698 -21.528 -2.697 1.00 0.00 H new ATOM 0 HE2 HIS A 13 -2.614 -21.273 -1.228 1.00 0.00 H new ATOM 191 N VAL A 14 -8.093 -22.739 1.150 1.00 0.00 N ATOM 192 CA VAL A 14 -8.448 -21.462 1.757 1.00 0.00 C ATOM 193 C VAL A 14 -7.226 -20.551 1.844 1.00 0.00 C ATOM 194 O VAL A 14 -6.606 -20.422 2.900 1.00 0.00 O ATOM 195 CB VAL A 14 -9.020 -21.694 3.158 1.00 0.00 C ATOM 196 CG1 VAL A 14 -10.292 -20.862 3.335 1.00 0.00 C ATOM 197 CG2 VAL A 14 -9.356 -23.177 3.329 1.00 0.00 C ATOM 0 H VAL A 14 -8.819 -23.148 0.562 1.00 0.00 H new ATOM 0 HA VAL A 14 -9.200 -20.979 1.133 1.00 0.00 H new ATOM 0 HB VAL A 14 -8.284 -21.396 3.905 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -10.699 -21.027 4.333 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -10.056 -19.805 3.210 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -11.028 -21.160 2.589 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -9.764 -23.345 4.326 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -10.092 -23.472 2.581 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -8.452 -23.772 3.202 1.00 0.00 H new ATOM 207 N PRO A 15 -6.874 -19.923 0.755 1.00 0.00 N ATOM 208 CA PRO A 15 -5.703 -19.006 0.696 1.00 0.00 C ATOM 209 C PRO A 15 -6.009 -17.640 1.306 1.00 0.00 C ATOM 210 O PRO A 15 -5.120 -16.804 1.460 1.00 0.00 O ATOM 211 CB PRO A 15 -5.419 -18.886 -0.801 1.00 0.00 C ATOM 212 CG PRO A 15 -6.733 -19.119 -1.472 1.00 0.00 C ATOM 213 CD PRO A 15 -7.555 -20.022 -0.546 1.00 0.00 C ATOM 0 HA PRO A 15 -4.855 -19.384 1.268 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -5.020 -17.902 -1.048 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -4.679 -19.619 -1.121 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -7.249 -18.175 -1.648 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -6.591 -19.591 -2.444 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -8.590 -19.687 -0.480 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -7.575 -21.050 -0.908 1.00 0.00 H new ATOM 221 N LEU A 16 -7.275 -17.422 1.652 1.00 0.00 N ATOM 222 CA LEU A 16 -7.685 -16.154 2.243 1.00 0.00 C ATOM 223 C LEU A 16 -7.124 -16.017 3.655 1.00 0.00 C ATOM 224 O LEU A 16 -7.736 -15.390 4.520 1.00 0.00 O ATOM 225 CB LEU A 16 -9.213 -16.066 2.288 1.00 0.00 C ATOM 226 CG LEU A 16 -9.765 -16.052 0.862 1.00 0.00 C ATOM 227 CD1 LEU A 16 -11.052 -16.877 0.803 1.00 0.00 C ATOM 228 CD2 LEU A 16 -10.065 -14.611 0.447 1.00 0.00 C ATOM 0 H LEU A 16 -8.027 -18.101 1.534 1.00 0.00 H new ATOM 0 HA LEU A 16 -7.294 -15.344 1.627 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -9.621 -16.914 2.839 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -9.521 -15.164 2.817 1.00 0.00 H new ATOM 0 HG LEU A 16 -9.028 -16.481 0.183 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -11.445 -16.866 -0.214 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -10.840 -17.904 1.099 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -11.790 -16.449 1.481 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -10.459 -14.600 -0.569 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -10.802 -14.183 1.126 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -9.149 -14.022 0.488 1.00 0.00 H new ATOM 240 N GLY A 17 -5.953 -16.606 3.881 1.00 0.00 N ATOM 241 CA GLY A 17 -5.317 -16.543 5.192 1.00 0.00 C ATOM 242 C GLY A 17 -3.878 -16.053 5.074 1.00 0.00 C ATOM 243 O GLY A 17 -3.519 -15.015 5.632 1.00 0.00 O ATOM 0 H GLY A 17 -5.429 -17.128 3.179 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -5.881 -15.875 5.843 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -5.333 -17.529 5.656 1.00 0.00 H new ATOM 247 N HIS A 18 -3.058 -16.806 4.348 1.00 0.00 N ATOM 248 CA HIS A 18 -1.657 -16.438 4.167 1.00 0.00 C ATOM 249 C HIS A 18 -1.531 -15.259 3.207 1.00 0.00 C ATOM 250 O HIS A 18 -2.456 -14.955 2.454 1.00 0.00 O ATOM 251 CB HIS A 18 -0.870 -17.629 3.617 1.00 0.00 C ATOM 252 CG HIS A 18 -1.458 -18.055 2.299 1.00 0.00 C ATOM 253 ND1 HIS A 18 -0.953 -17.610 1.087 1.00 0.00 N ATOM 254 CD2 HIS A 18 -2.505 -18.885 1.987 1.00 0.00 C ATOM 255 CE1 HIS A 18 -1.692 -18.170 0.111 1.00 0.00 C ATOM 256 NE2 HIS A 18 -2.651 -18.956 0.605 1.00 0.00 N ATOM 0 H HIS A 18 -3.336 -17.668 3.879 1.00 0.00 H new ATOM 0 HA HIS A 18 -1.251 -16.149 5.136 1.00 0.00 H new ATOM 0 HB2 HIS A 18 0.178 -17.358 3.489 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -0.901 -18.457 4.325 1.00 0.00 H new ATOM 0 HD1 HIS A 18 -0.166 -16.975 0.958 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -3.122 -19.404 2.705 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -1.529 -18.004 -0.944 1.00 0.00 H new ATOM 264 N ILE A 19 -0.376 -14.600 3.238 1.00 0.00 N ATOM 265 CA ILE A 19 -0.137 -13.457 2.366 1.00 0.00 C ATOM 266 C ILE A 19 1.057 -13.719 1.453 1.00 0.00 C ATOM 267 O ILE A 19 1.931 -14.525 1.773 1.00 0.00 O ATOM 268 CB ILE A 19 0.128 -12.205 3.205 1.00 0.00 C ATOM 269 CG1 ILE A 19 -1.160 -11.795 3.924 1.00 0.00 C ATOM 270 CG2 ILE A 19 0.585 -11.067 2.292 1.00 0.00 C ATOM 271 CD1 ILE A 19 -0.879 -10.601 4.837 1.00 0.00 C ATOM 0 H ILE A 19 0.403 -14.836 3.853 1.00 0.00 H new ATOM 0 HA ILE A 19 -1.024 -13.303 1.752 1.00 0.00 H new ATOM 0 HB ILE A 19 0.905 -12.416 3.939 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -1.929 -11.536 3.196 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -1.544 -12.631 4.509 1.00 0.00 H new ATOM 0 HG21 ILE A 19 0.774 -10.175 2.889 1.00 0.00 H new ATOM 0 HG22 ILE A 19 1.500 -11.359 1.777 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -0.193 -10.855 1.558 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -1.797 -10.310 5.348 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -0.125 -10.876 5.574 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -0.515 -9.764 4.240 1.00 0.00 H new ATOM 283 N VAL A 20 1.087 -13.032 0.315 1.00 0.00 N ATOM 284 CA VAL A 20 2.180 -13.198 -0.637 1.00 0.00 C ATOM 285 C VAL A 20 3.070 -11.958 -0.649 1.00 0.00 C ATOM 286 O VAL A 20 2.598 -10.845 -0.423 1.00 0.00 O ATOM 287 CB VAL A 20 1.620 -13.438 -2.040 1.00 0.00 C ATOM 288 CG1 VAL A 20 2.775 -13.620 -3.025 1.00 0.00 C ATOM 289 CG2 VAL A 20 0.752 -14.700 -2.033 1.00 0.00 C ATOM 0 H VAL A 20 0.374 -12.361 0.031 1.00 0.00 H new ATOM 0 HA VAL A 20 2.775 -14.059 -0.332 1.00 0.00 H new ATOM 0 HB VAL A 20 1.016 -12.582 -2.342 1.00 0.00 H new ATOM 0 HG11 VAL A 20 2.377 -13.791 -4.025 1.00 0.00 H new ATOM 0 HG12 VAL A 20 3.394 -12.723 -3.030 1.00 0.00 H new ATOM 0 HG13 VAL A 20 3.379 -14.476 -2.724 1.00 0.00 H new ATOM 0 HG21 VAL A 20 0.352 -14.872 -3.032 1.00 0.00 H new ATOM 0 HG22 VAL A 20 1.356 -15.556 -1.732 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -0.071 -14.572 -1.330 1.00 0.00 H new ATOM 299 N ALA A 21 4.357 -12.161 -0.912 1.00 0.00 N ATOM 300 CA ALA A 21 5.302 -11.050 -0.948 1.00 0.00 C ATOM 301 C ALA A 21 6.232 -11.173 -2.151 1.00 0.00 C ATOM 302 O ALA A 21 6.662 -12.269 -2.507 1.00 0.00 O ATOM 303 CB ALA A 21 6.130 -11.028 0.339 1.00 0.00 C ATOM 0 H ALA A 21 4.767 -13.076 -1.102 1.00 0.00 H new ATOM 0 HA ALA A 21 4.738 -10.121 -1.034 1.00 0.00 H new ATOM 0 HB1 ALA A 21 6.833 -10.196 0.305 1.00 0.00 H new ATOM 0 HB2 ALA A 21 5.467 -10.908 1.196 1.00 0.00 H new ATOM 0 HB3 ALA A 21 6.680 -11.964 0.434 1.00 0.00 H new ATOM 309 N ASN A 22 6.538 -10.039 -2.774 1.00 0.00 N ATOM 310 CA ASN A 22 7.419 -10.030 -3.937 1.00 0.00 C ATOM 311 C ASN A 22 8.867 -10.258 -3.518 1.00 0.00 C ATOM 312 O ASN A 22 9.357 -9.635 -2.577 1.00 0.00 O ATOM 313 CB ASN A 22 7.302 -8.692 -4.671 1.00 0.00 C ATOM 314 CG ASN A 22 7.955 -8.793 -6.045 1.00 0.00 C ATOM 315 OD1 ASN A 22 7.964 -9.864 -6.652 1.00 0.00 O ATOM 316 ND2 ASN A 22 8.503 -7.734 -6.576 1.00 0.00 N ATOM 0 H ASN A 22 6.192 -9.121 -2.496 1.00 0.00 H new ATOM 0 HA ASN A 22 7.116 -10.838 -4.603 1.00 0.00 H new ATOM 0 HB2 ASN A 22 6.253 -8.416 -4.777 1.00 0.00 H new ATOM 0 HB3 ASN A 22 7.781 -7.905 -4.088 1.00 0.00 H new ATOM 0 HD21 ASN A 22 8.940 -7.793 -7.496 1.00 0.00 H new ATOM 0 HD22 ASN A 22 8.494 -6.848 -6.071 1.00 0.00 H new ATOM 323 N GLU A 23 9.546 -11.156 -4.224 1.00 0.00 N ATOM 324 CA GLU A 23 10.939 -11.461 -3.920 1.00 0.00 C ATOM 325 C GLU A 23 11.752 -10.176 -3.784 1.00 0.00 C ATOM 326 O GLU A 23 12.781 -10.150 -3.108 1.00 0.00 O ATOM 327 CB GLU A 23 11.535 -12.332 -5.028 1.00 0.00 C ATOM 328 CG GLU A 23 12.996 -12.652 -4.700 1.00 0.00 C ATOM 329 CD GLU A 23 13.886 -11.479 -5.095 1.00 0.00 C ATOM 330 OE1 GLU A 23 13.400 -10.596 -5.782 1.00 0.00 O ATOM 331 OE2 GLU A 23 15.042 -11.481 -4.702 1.00 0.00 O ATOM 0 H GLU A 23 9.157 -11.683 -5.006 1.00 0.00 H new ATOM 0 HA GLU A 23 10.976 -12.001 -2.974 1.00 0.00 H new ATOM 0 HB2 GLU A 23 10.963 -13.255 -5.126 1.00 0.00 H new ATOM 0 HB3 GLU A 23 11.472 -11.814 -5.985 1.00 0.00 H new ATOM 0 HG2 GLU A 23 13.102 -12.857 -3.635 1.00 0.00 H new ATOM 0 HG3 GLU A 23 13.308 -13.551 -5.231 1.00 0.00 H new ATOM 338 N LYS A 24 11.283 -9.114 -4.430 1.00 0.00 N ATOM 339 CA LYS A 24 11.974 -7.831 -4.373 1.00 0.00 C ATOM 340 C LYS A 24 11.547 -7.048 -3.136 1.00 0.00 C ATOM 341 O LYS A 24 12.339 -6.308 -2.553 1.00 0.00 O ATOM 342 CB LYS A 24 11.667 -7.012 -5.629 1.00 0.00 C ATOM 343 CG LYS A 24 12.539 -5.755 -5.645 1.00 0.00 C ATOM 344 CD LYS A 24 12.245 -4.943 -6.909 1.00 0.00 C ATOM 345 CE LYS A 24 13.143 -5.428 -8.049 1.00 0.00 C ATOM 346 NZ LYS A 24 14.572 -5.293 -7.649 1.00 0.00 N ATOM 0 H LYS A 24 10.434 -9.115 -4.995 1.00 0.00 H new ATOM 0 HA LYS A 24 13.046 -8.021 -4.318 1.00 0.00 H new ATOM 0 HB2 LYS A 24 11.856 -7.610 -6.521 1.00 0.00 H new ATOM 0 HB3 LYS A 24 10.613 -6.736 -5.647 1.00 0.00 H new ATOM 0 HG2 LYS A 24 12.342 -5.152 -4.759 1.00 0.00 H new ATOM 0 HG3 LYS A 24 13.593 -6.031 -5.615 1.00 0.00 H new ATOM 0 HD2 LYS A 24 11.197 -5.050 -7.187 1.00 0.00 H new ATOM 0 HD3 LYS A 24 12.418 -3.883 -6.721 1.00 0.00 H new ATOM 0 HE2 LYS A 24 12.918 -6.468 -8.286 1.00 0.00 H new ATOM 0 HE3 LYS A 24 12.950 -4.846 -8.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 15.137 -5.004 -8.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 14.657 -4.575 -6.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 14.921 -6.206 -7.293 1.00 0.00 H new ATOM 360 N TRP A 25 10.289 -7.219 -2.740 1.00 0.00 N ATOM 361 CA TRP A 25 9.766 -6.526 -1.569 1.00 0.00 C ATOM 362 C TRP A 25 10.208 -7.230 -0.291 1.00 0.00 C ATOM 363 O TRP A 25 9.947 -6.755 0.815 1.00 0.00 O ATOM 364 CB TRP A 25 8.238 -6.482 -1.628 1.00 0.00 C ATOM 365 CG TRP A 25 7.734 -5.421 -0.702 1.00 0.00 C ATOM 366 CD1 TRP A 25 6.891 -5.632 0.335 1.00 0.00 C ATOM 367 CD2 TRP A 25 8.024 -3.994 -0.712 1.00 0.00 C ATOM 368 NE1 TRP A 25 6.646 -4.422 0.963 1.00 0.00 N ATOM 369 CE2 TRP A 25 7.322 -3.384 0.355 1.00 0.00 C ATOM 370 CE3 TRP A 25 8.822 -3.178 -1.534 1.00 0.00 C ATOM 371 CZ2 TRP A 25 7.408 -2.013 0.596 1.00 0.00 C ATOM 372 CZ3 TRP A 25 8.911 -1.797 -1.293 1.00 0.00 C ATOM 373 CH2 TRP A 25 8.205 -1.215 -0.230 1.00 0.00 C ATOM 0 H TRP A 25 9.618 -7.827 -3.209 1.00 0.00 H new ATOM 0 HA TRP A 25 10.158 -5.509 -1.565 1.00 0.00 H new ATOM 0 HB2 TRP A 25 7.908 -6.277 -2.647 1.00 0.00 H new ATOM 0 HB3 TRP A 25 7.824 -7.451 -1.348 1.00 0.00 H new ATOM 0 HD1 TRP A 25 6.477 -6.586 0.625 1.00 0.00 H new ATOM 0 HE1 TRP A 25 6.040 -4.312 1.776 1.00 0.00 H new ATOM 0 HE3 TRP A 25 9.370 -3.616 -2.355 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 6.862 -1.570 1.416 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 9.527 -1.180 -1.930 1.00 0.00 H new ATOM 0 HH2 TRP A 25 8.277 -0.153 -0.050 1.00 0.00 H new ATOM 384 N ARG A 26 10.881 -8.365 -0.451 1.00 0.00 N ATOM 385 CA ARG A 26 11.360 -9.128 0.697 1.00 0.00 C ATOM 386 C ARG A 26 12.507 -8.393 1.382 1.00 0.00 C ATOM 387 O ARG A 26 12.851 -8.688 2.526 1.00 0.00 O ATOM 388 CB ARG A 26 11.830 -10.512 0.240 1.00 0.00 C ATOM 389 CG ARG A 26 12.703 -11.150 1.324 1.00 0.00 C ATOM 390 CD ARG A 26 13.087 -12.568 0.899 1.00 0.00 C ATOM 391 NE ARG A 26 13.914 -12.525 -0.302 1.00 0.00 N ATOM 392 CZ ARG A 26 14.703 -13.542 -0.632 1.00 0.00 C ATOM 393 NH1 ARG A 26 14.744 -14.607 0.121 1.00 0.00 N ATOM 394 NH2 ARG A 26 15.435 -13.475 -1.710 1.00 0.00 N ATOM 0 H ARG A 26 11.106 -8.775 -1.358 1.00 0.00 H new ATOM 0 HA ARG A 26 10.542 -9.241 1.409 1.00 0.00 H new ATOM 0 HB2 ARG A 26 10.969 -11.148 0.033 1.00 0.00 H new ATOM 0 HB3 ARG A 26 12.393 -10.426 -0.689 1.00 0.00 H new ATOM 0 HG2 ARG A 26 13.600 -10.551 1.483 1.00 0.00 H new ATOM 0 HG3 ARG A 26 12.165 -11.176 2.271 1.00 0.00 H new ATOM 0 HD2 ARG A 26 13.628 -13.064 1.705 1.00 0.00 H new ATOM 0 HD3 ARG A 26 12.188 -13.155 0.710 1.00 0.00 H new ATOM 0 HE ARG A 26 13.886 -11.699 -0.900 1.00 0.00 H new ATOM 0 HH11 ARG A 26 14.170 -14.659 0.963 1.00 0.00 H new ATOM 0 HH12 ARG A 26 15.350 -15.388 -0.132 1.00 0.00 H new ATOM 0 HH21 ARG A 26 15.401 -12.643 -2.298 1.00 0.00 H new ATOM 0 HH22 ARG A 26 16.041 -14.255 -1.964 1.00 0.00 H new ATOM 408 N GLY A 27 13.098 -7.437 0.672 1.00 0.00 N ATOM 409 CA GLY A 27 14.207 -6.666 1.221 1.00 0.00 C ATOM 410 C GLY A 27 13.716 -5.654 2.249 1.00 0.00 C ATOM 411 O GLY A 27 14.322 -4.599 2.434 1.00 0.00 O ATOM 0 H GLY A 27 12.830 -7.179 -0.278 1.00 0.00 H new ATOM 0 HA2 GLY A 27 14.928 -7.339 1.685 1.00 0.00 H new ATOM 0 HA3 GLY A 27 14.727 -6.148 0.416 1.00 0.00 H new ATOM 415 N SER A 28 12.615 -5.983 2.918 1.00 0.00 N ATOM 416 CA SER A 28 12.054 -5.093 3.927 1.00 0.00 C ATOM 417 C SER A 28 11.838 -5.839 5.239 1.00 0.00 C ATOM 418 O SER A 28 11.377 -6.981 5.247 1.00 0.00 O ATOM 419 CB SER A 28 10.723 -4.522 3.437 1.00 0.00 C ATOM 420 OG SER A 28 10.870 -4.071 2.098 1.00 0.00 O ATOM 0 H SER A 28 12.098 -6.852 2.781 1.00 0.00 H new ATOM 0 HA SER A 28 12.758 -4.278 4.098 1.00 0.00 H new ATOM 0 HB2 SER A 28 9.945 -5.283 3.493 1.00 0.00 H new ATOM 0 HB3 SER A 28 10.410 -3.698 4.078 1.00 0.00 H new ATOM 0 HG SER A 28 10.623 -4.791 1.481 1.00 0.00 H new ATOM 426 N GLN A 29 12.173 -5.186 6.347 1.00 0.00 N ATOM 427 CA GLN A 29 12.009 -5.797 7.660 1.00 0.00 C ATOM 428 C GLN A 29 10.538 -6.091 7.933 1.00 0.00 C ATOM 429 O GLN A 29 10.207 -6.973 8.726 1.00 0.00 O ATOM 430 CB GLN A 29 12.557 -4.861 8.740 1.00 0.00 C ATOM 431 CG GLN A 29 14.073 -4.730 8.582 1.00 0.00 C ATOM 432 CD GLN A 29 14.653 -3.939 9.749 1.00 0.00 C ATOM 433 OE1 GLN A 29 15.311 -2.919 9.543 1.00 0.00 O ATOM 434 NE2 GLN A 29 14.449 -4.350 10.972 1.00 0.00 N ATOM 0 H GLN A 29 12.557 -4.241 6.362 1.00 0.00 H new ATOM 0 HA GLN A 29 12.563 -6.736 7.678 1.00 0.00 H new ATOM 0 HB2 GLN A 29 12.086 -3.881 8.660 1.00 0.00 H new ATOM 0 HB3 GLN A 29 12.316 -5.250 9.729 1.00 0.00 H new ATOM 0 HG2 GLN A 29 14.529 -5.719 8.540 1.00 0.00 H new ATOM 0 HG3 GLN A 29 14.307 -4.231 7.642 1.00 0.00 H new ATOM 0 HE21 GLN A 29 13.904 -5.195 11.142 1.00 0.00 H new ATOM 0 HE22 GLN A 29 14.835 -3.826 11.757 1.00 0.00 H new ATOM 443 N LEU A 30 9.660 -5.348 7.268 1.00 0.00 N ATOM 444 CA LEU A 30 8.223 -5.535 7.442 1.00 0.00 C ATOM 445 C LEU A 30 7.817 -6.948 7.030 1.00 0.00 C ATOM 446 O LEU A 30 7.177 -7.668 7.796 1.00 0.00 O ATOM 447 CB LEU A 30 7.464 -4.495 6.605 1.00 0.00 C ATOM 448 CG LEU A 30 6.178 -5.104 6.034 1.00 0.00 C ATOM 449 CD1 LEU A 30 5.352 -5.724 7.164 1.00 0.00 C ATOM 450 CD2 LEU A 30 5.360 -4.004 5.350 1.00 0.00 C ATOM 0 H LEU A 30 9.915 -4.614 6.607 1.00 0.00 H new ATOM 0 HA LEU A 30 7.970 -5.400 8.494 1.00 0.00 H new ATOM 0 HB2 LEU A 30 7.221 -3.629 7.222 1.00 0.00 H new ATOM 0 HB3 LEU A 30 8.098 -4.140 5.792 1.00 0.00 H new ATOM 0 HG LEU A 30 6.434 -5.878 5.310 1.00 0.00 H new ATOM 0 HD11 LEU A 30 4.439 -6.155 6.753 1.00 0.00 H new ATOM 0 HD12 LEU A 30 5.934 -6.505 7.654 1.00 0.00 H new ATOM 0 HD13 LEU A 30 5.094 -4.954 7.891 1.00 0.00 H new ATOM 0 HD21 LEU A 30 4.444 -4.432 4.942 1.00 0.00 H new ATOM 0 HD22 LEU A 30 5.107 -3.233 6.078 1.00 0.00 H new ATOM 0 HD23 LEU A 30 5.946 -3.564 4.543 1.00 0.00 H new ATOM 462 N ALA A 31 8.190 -7.337 5.816 1.00 0.00 N ATOM 463 CA ALA A 31 7.859 -8.665 5.312 1.00 0.00 C ATOM 464 C ALA A 31 8.198 -9.737 6.344 1.00 0.00 C ATOM 465 O ALA A 31 7.523 -10.762 6.432 1.00 0.00 O ATOM 466 CB ALA A 31 8.628 -8.940 4.019 1.00 0.00 C ATOM 0 H ALA A 31 8.719 -6.756 5.166 1.00 0.00 H new ATOM 0 HA ALA A 31 6.788 -8.697 5.114 1.00 0.00 H new ATOM 0 HB1 ALA A 31 8.375 -9.934 3.650 1.00 0.00 H new ATOM 0 HB2 ALA A 31 8.359 -8.195 3.270 1.00 0.00 H new ATOM 0 HB3 ALA A 31 9.699 -8.887 4.214 1.00 0.00 H new ATOM 472 N GLN A 32 9.248 -9.495 7.123 1.00 0.00 N ATOM 473 CA GLN A 32 9.664 -10.453 8.142 1.00 0.00 C ATOM 474 C GLN A 32 8.761 -10.362 9.368 1.00 0.00 C ATOM 475 O GLN A 32 8.583 -11.342 10.092 1.00 0.00 O ATOM 476 CB GLN A 32 11.114 -10.187 8.552 1.00 0.00 C ATOM 477 CG GLN A 32 11.771 -11.497 8.991 1.00 0.00 C ATOM 478 CD GLN A 32 12.654 -11.256 10.211 1.00 0.00 C ATOM 479 OE1 GLN A 32 13.682 -10.587 10.112 1.00 0.00 O ATOM 480 NE2 GLN A 32 12.313 -11.766 11.364 1.00 0.00 N ATOM 0 H GLN A 32 9.821 -8.653 7.070 1.00 0.00 H new ATOM 0 HA GLN A 32 9.585 -11.455 7.721 1.00 0.00 H new ATOM 0 HB2 GLN A 32 11.665 -9.754 7.717 1.00 0.00 H new ATOM 0 HB3 GLN A 32 11.146 -9.462 9.365 1.00 0.00 H new ATOM 0 HG2 GLN A 32 11.005 -12.236 9.227 1.00 0.00 H new ATOM 0 HG3 GLN A 32 12.368 -11.905 8.175 1.00 0.00 H new ATOM 0 HE21 GLN A 32 11.461 -12.320 11.444 1.00 0.00 H new ATOM 0 HE22 GLN A 32 12.899 -11.610 12.184 1.00 0.00 H new ATOM 489 N GLU A 33 8.195 -9.182 9.597 1.00 0.00 N ATOM 490 CA GLU A 33 7.313 -8.980 10.742 1.00 0.00 C ATOM 491 C GLU A 33 6.066 -9.850 10.616 1.00 0.00 C ATOM 492 O GLU A 33 5.728 -10.601 11.531 1.00 0.00 O ATOM 493 CB GLU A 33 6.905 -7.510 10.837 1.00 0.00 C ATOM 494 CG GLU A 33 8.092 -6.681 11.331 1.00 0.00 C ATOM 495 CD GLU A 33 7.608 -5.331 11.851 1.00 0.00 C ATOM 496 OE1 GLU A 33 6.640 -4.823 11.308 1.00 0.00 O ATOM 497 OE2 GLU A 33 8.211 -4.825 12.782 1.00 0.00 O ATOM 0 H GLU A 33 8.329 -8.358 9.011 1.00 0.00 H new ATOM 0 HA GLU A 33 7.852 -9.264 11.646 1.00 0.00 H new ATOM 0 HB2 GLU A 33 6.577 -7.149 9.862 1.00 0.00 H new ATOM 0 HB3 GLU A 33 6.062 -7.399 11.519 1.00 0.00 H new ATOM 0 HG2 GLU A 33 8.616 -7.217 12.122 1.00 0.00 H new ATOM 0 HG3 GLU A 33 8.805 -6.533 10.520 1.00 0.00 H new ATOM 504 N MET A 34 5.386 -9.742 9.480 1.00 0.00 N ATOM 505 CA MET A 34 4.178 -10.525 9.249 1.00 0.00 C ATOM 506 C MET A 34 4.487 -12.017 9.321 1.00 0.00 C ATOM 507 O MET A 34 3.584 -12.843 9.457 1.00 0.00 O ATOM 508 CB MET A 34 3.590 -10.190 7.877 1.00 0.00 C ATOM 509 CG MET A 34 2.391 -9.252 8.043 1.00 0.00 C ATOM 510 SD MET A 34 1.485 -9.151 6.480 1.00 0.00 S ATOM 511 CE MET A 34 1.783 -7.396 6.153 1.00 0.00 C ATOM 0 H MET A 34 5.648 -9.125 8.711 1.00 0.00 H new ATOM 0 HA MET A 34 3.453 -10.276 10.024 1.00 0.00 H new ATOM 0 HB2 MET A 34 4.348 -9.719 7.251 1.00 0.00 H new ATOM 0 HB3 MET A 34 3.281 -11.104 7.370 1.00 0.00 H new ATOM 0 HG2 MET A 34 1.735 -9.618 8.833 1.00 0.00 H new ATOM 0 HG3 MET A 34 2.730 -8.261 8.344 1.00 0.00 H new ATOM 0 HE1 MET A 34 1.364 -7.130 5.183 1.00 0.00 H new ATOM 0 HE2 MET A 34 1.309 -6.796 6.930 1.00 0.00 H new ATOM 0 HE3 MET A 34 2.856 -7.204 6.149 1.00 0.00 H new ATOM 521 N GLN A 35 5.770 -12.355 9.230 1.00 0.00 N ATOM 522 CA GLN A 35 6.188 -13.752 9.288 1.00 0.00 C ATOM 523 C GLN A 35 6.094 -14.279 10.716 1.00 0.00 C ATOM 524 O GLN A 35 6.253 -15.476 10.959 1.00 0.00 O ATOM 525 CB GLN A 35 7.629 -13.887 8.784 1.00 0.00 C ATOM 526 CG GLN A 35 7.679 -14.881 7.622 1.00 0.00 C ATOM 527 CD GLN A 35 9.121 -15.293 7.348 1.00 0.00 C ATOM 528 OE1 GLN A 35 9.869 -14.553 6.709 1.00 0.00 O ATOM 529 NE2 GLN A 35 9.559 -16.439 7.796 1.00 0.00 N ATOM 0 H GLN A 35 6.532 -11.687 9.117 1.00 0.00 H new ATOM 0 HA GLN A 35 5.525 -14.338 8.652 1.00 0.00 H new ATOM 0 HB2 GLN A 35 8.004 -12.916 8.461 1.00 0.00 H new ATOM 0 HB3 GLN A 35 8.277 -14.225 9.593 1.00 0.00 H new ATOM 0 HG2 GLN A 35 7.080 -15.760 7.859 1.00 0.00 H new ATOM 0 HG3 GLN A 35 7.245 -14.431 6.729 1.00 0.00 H new ATOM 0 HE21 GLN A 35 8.938 -17.051 8.325 1.00 0.00 H new ATOM 0 HE22 GLN A 35 10.522 -16.722 7.617 1.00 0.00 H new ATOM 538 N GLY A 36 5.833 -13.379 11.659 1.00 0.00 N ATOM 539 CA GLY A 36 5.718 -13.764 13.061 1.00 0.00 C ATOM 540 C GLY A 36 4.257 -13.935 13.462 1.00 0.00 C ATOM 541 O GLY A 36 3.951 -14.243 14.612 1.00 0.00 O ATOM 0 H GLY A 36 5.698 -12.384 11.479 1.00 0.00 H new ATOM 0 HA2 GLY A 36 6.257 -14.696 13.231 1.00 0.00 H new ATOM 0 HA3 GLY A 36 6.185 -13.006 13.690 1.00 0.00 H new ATOM 545 N LYS A 37 3.360 -13.730 12.502 1.00 0.00 N ATOM 546 CA LYS A 37 1.931 -13.863 12.765 1.00 0.00 C ATOM 547 C LYS A 37 1.233 -14.546 11.593 1.00 0.00 C ATOM 548 O LYS A 37 0.270 -15.289 11.779 1.00 0.00 O ATOM 549 CB LYS A 37 1.313 -12.483 12.998 1.00 0.00 C ATOM 550 CG LYS A 37 1.636 -12.010 14.416 1.00 0.00 C ATOM 551 CD LYS A 37 0.509 -12.426 15.362 1.00 0.00 C ATOM 552 CE LYS A 37 1.101 -12.833 16.712 1.00 0.00 C ATOM 553 NZ LYS A 37 0.035 -12.800 17.753 1.00 0.00 N ATOM 0 H LYS A 37 3.594 -13.473 11.543 1.00 0.00 H new ATOM 0 HA LYS A 37 1.799 -14.474 13.658 1.00 0.00 H new ATOM 0 HB2 LYS A 37 1.701 -11.772 12.269 1.00 0.00 H new ATOM 0 HB3 LYS A 37 0.233 -12.528 12.856 1.00 0.00 H new ATOM 0 HG2 LYS A 37 2.581 -12.440 14.748 1.00 0.00 H new ATOM 0 HG3 LYS A 37 1.756 -10.927 14.431 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -0.192 -11.602 15.494 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -0.052 -13.257 14.934 1.00 0.00 H new ATOM 0 HE2 LYS A 37 1.529 -13.833 16.647 1.00 0.00 H new ATOM 0 HE3 LYS A 37 1.911 -12.157 16.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 0.438 -13.077 18.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -0.354 -11.838 17.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -0.724 -13.462 17.494 1.00 0.00 H new ATOM 567 N ILE A 38 1.726 -14.289 10.385 1.00 0.00 N ATOM 568 CA ILE A 38 1.142 -14.886 9.189 1.00 0.00 C ATOM 569 C ILE A 38 2.220 -15.572 8.355 1.00 0.00 C ATOM 570 O ILE A 38 3.404 -15.256 8.472 1.00 0.00 O ATOM 571 CB ILE A 38 0.446 -13.804 8.351 1.00 0.00 C ATOM 572 CG1 ILE A 38 -1.018 -13.674 8.790 1.00 0.00 C ATOM 573 CG2 ILE A 38 0.498 -14.176 6.866 1.00 0.00 C ATOM 574 CD1 ILE A 38 -1.748 -15.000 8.568 1.00 0.00 C ATOM 0 H ILE A 38 2.522 -13.676 10.209 1.00 0.00 H new ATOM 0 HA ILE A 38 0.408 -15.632 9.495 1.00 0.00 H new ATOM 0 HB ILE A 38 0.960 -12.855 8.502 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -1.068 -13.393 9.842 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -1.507 -12.881 8.225 1.00 0.00 H new ATOM 0 HG21 ILE A 38 0.002 -13.403 6.280 1.00 0.00 H new ATOM 0 HG22 ILE A 38 1.537 -14.261 6.548 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -0.008 -15.129 6.712 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -2.787 -14.900 8.882 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -1.712 -15.263 7.511 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -1.266 -15.783 9.153 1.00 0.00 H new ATOM 586 N LYS A 39 1.800 -16.511 7.514 1.00 0.00 N ATOM 587 CA LYS A 39 2.736 -17.234 6.662 1.00 0.00 C ATOM 588 C LYS A 39 2.906 -16.509 5.331 1.00 0.00 C ATOM 589 O LYS A 39 2.044 -16.589 4.457 1.00 0.00 O ATOM 590 CB LYS A 39 2.218 -18.655 6.415 1.00 0.00 C ATOM 591 CG LYS A 39 3.354 -19.550 5.911 1.00 0.00 C ATOM 592 CD LYS A 39 3.211 -20.944 6.526 1.00 0.00 C ATOM 593 CE LYS A 39 1.977 -21.635 5.941 1.00 0.00 C ATOM 594 NZ LYS A 39 0.793 -21.355 6.803 1.00 0.00 N ATOM 0 H LYS A 39 0.824 -16.788 7.404 1.00 0.00 H new ATOM 0 HA LYS A 39 3.703 -17.283 7.162 1.00 0.00 H new ATOM 0 HB2 LYS A 39 1.804 -19.064 7.336 1.00 0.00 H new ATOM 0 HB3 LYS A 39 1.410 -18.634 5.684 1.00 0.00 H new ATOM 0 HG2 LYS A 39 3.326 -19.615 4.823 1.00 0.00 H new ATOM 0 HG3 LYS A 39 4.318 -19.119 6.179 1.00 0.00 H new ATOM 0 HD2 LYS A 39 4.103 -21.536 6.323 1.00 0.00 H new ATOM 0 HD3 LYS A 39 3.119 -20.868 7.609 1.00 0.00 H new ATOM 0 HE2 LYS A 39 1.794 -21.279 4.927 1.00 0.00 H new ATOM 0 HE3 LYS A 39 2.146 -22.710 5.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 0.161 -22.181 6.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 1.109 -21.160 7.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 0.282 -20.529 6.433 1.00 0.00 H new ATOM 608 N LEU A 40 4.018 -15.794 5.189 1.00 0.00 N ATOM 609 CA LEU A 40 4.282 -15.049 3.963 1.00 0.00 C ATOM 610 C LEU A 40 5.008 -15.918 2.940 1.00 0.00 C ATOM 611 O LEU A 40 6.017 -16.552 3.253 1.00 0.00 O ATOM 612 CB LEU A 40 5.130 -13.814 4.276 1.00 0.00 C ATOM 613 CG LEU A 40 4.215 -12.605 4.481 1.00 0.00 C ATOM 614 CD1 LEU A 40 4.949 -11.541 5.298 1.00 0.00 C ATOM 615 CD2 LEU A 40 3.829 -12.021 3.120 1.00 0.00 C ATOM 0 H LEU A 40 4.745 -15.715 5.901 1.00 0.00 H new ATOM 0 HA LEU A 40 3.325 -14.741 3.541 1.00 0.00 H new ATOM 0 HB2 LEU A 40 5.727 -13.987 5.171 1.00 0.00 H new ATOM 0 HB3 LEU A 40 5.827 -13.622 3.460 1.00 0.00 H new ATOM 0 HG LEU A 40 3.316 -12.917 5.013 1.00 0.00 H new ATOM 0 HD11 LEU A 40 4.297 -10.680 5.444 1.00 0.00 H new ATOM 0 HD12 LEU A 40 5.227 -11.954 6.268 1.00 0.00 H new ATOM 0 HD13 LEU A 40 5.848 -11.229 4.766 1.00 0.00 H new ATOM 0 HD21 LEU A 40 3.177 -11.160 3.265 1.00 0.00 H new ATOM 0 HD22 LEU A 40 4.729 -11.710 2.589 1.00 0.00 H new ATOM 0 HD23 LEU A 40 3.306 -12.777 2.535 1.00 0.00 H new ATOM 627 N ILE A 41 4.492 -15.935 1.715 1.00 0.00 N ATOM 628 CA ILE A 41 5.099 -16.719 0.646 1.00 0.00 C ATOM 629 C ILE A 41 5.774 -15.795 -0.363 1.00 0.00 C ATOM 630 O ILE A 41 5.108 -15.021 -1.051 1.00 0.00 O ATOM 631 CB ILE A 41 4.036 -17.561 -0.062 1.00 0.00 C ATOM 632 CG1 ILE A 41 3.229 -18.344 0.978 1.00 0.00 C ATOM 633 CG2 ILE A 41 4.717 -18.537 -1.023 1.00 0.00 C ATOM 634 CD1 ILE A 41 3.944 -19.658 1.299 1.00 0.00 C ATOM 0 H ILE A 41 3.658 -15.417 1.439 1.00 0.00 H new ATOM 0 HA ILE A 41 5.846 -17.382 1.083 1.00 0.00 H new ATOM 0 HB ILE A 41 3.367 -16.908 -0.622 1.00 0.00 H new ATOM 0 HG12 ILE A 41 3.113 -17.751 1.885 1.00 0.00 H new ATOM 0 HG13 ILE A 41 2.227 -18.546 0.599 1.00 0.00 H new ATOM 0 HG21 ILE A 41 3.961 -19.138 -1.528 1.00 0.00 H new ATOM 0 HG22 ILE A 41 5.291 -17.979 -1.763 1.00 0.00 H new ATOM 0 HG23 ILE A 41 5.386 -19.191 -0.464 1.00 0.00 H new ATOM 0 HD11 ILE A 41 3.369 -20.214 2.039 1.00 0.00 H new ATOM 0 HD12 ILE A 41 4.037 -20.253 0.390 1.00 0.00 H new ATOM 0 HD13 ILE A 41 4.936 -19.445 1.696 1.00 0.00 H new ATOM 646 N PHE A 42 7.097 -15.876 -0.441 1.00 0.00 N ATOM 647 CA PHE A 42 7.851 -15.036 -1.364 1.00 0.00 C ATOM 648 C PHE A 42 7.718 -15.541 -2.796 1.00 0.00 C ATOM 649 O PHE A 42 8.007 -16.702 -3.086 1.00 0.00 O ATOM 650 CB PHE A 42 9.326 -15.017 -0.959 1.00 0.00 C ATOM 651 CG PHE A 42 9.448 -14.494 0.451 1.00 0.00 C ATOM 652 CD1 PHE A 42 9.114 -13.164 0.735 1.00 0.00 C ATOM 653 CD2 PHE A 42 9.893 -15.337 1.475 1.00 0.00 C ATOM 654 CE1 PHE A 42 9.226 -12.678 2.043 1.00 0.00 C ATOM 655 CE2 PHE A 42 10.006 -14.851 2.784 1.00 0.00 C ATOM 656 CZ PHE A 42 9.672 -13.522 3.067 1.00 0.00 C ATOM 0 H PHE A 42 7.667 -16.510 0.119 1.00 0.00 H new ATOM 0 HA PHE A 42 7.445 -14.026 -1.317 1.00 0.00 H new ATOM 0 HB2 PHE A 42 9.746 -16.021 -1.025 1.00 0.00 H new ATOM 0 HB3 PHE A 42 9.895 -14.388 -1.643 1.00 0.00 H new ATOM 0 HD1 PHE A 42 8.770 -12.513 -0.055 1.00 0.00 H new ATOM 0 HD2 PHE A 42 10.150 -16.363 1.256 1.00 0.00 H new ATOM 0 HE1 PHE A 42 8.968 -11.652 2.262 1.00 0.00 H new ATOM 0 HE2 PHE A 42 10.351 -15.502 3.574 1.00 0.00 H new ATOM 0 HZ PHE A 42 9.758 -13.147 4.076 1.00 0.00 H new ATOM 666 N GLU A 43 7.285 -14.655 -3.690 1.00 0.00 N ATOM 667 CA GLU A 43 7.122 -15.013 -5.094 1.00 0.00 C ATOM 668 C GLU A 43 7.868 -14.023 -5.983 1.00 0.00 C ATOM 669 O GLU A 43 7.534 -12.839 -6.026 1.00 0.00 O ATOM 670 CB GLU A 43 5.639 -15.011 -5.469 1.00 0.00 C ATOM 671 CG GLU A 43 4.929 -16.170 -4.768 1.00 0.00 C ATOM 672 CD GLU A 43 3.430 -16.105 -5.045 1.00 0.00 C ATOM 673 OE1 GLU A 43 3.068 -15.710 -6.142 1.00 0.00 O ATOM 674 OE2 GLU A 43 2.668 -16.449 -4.159 1.00 0.00 O ATOM 0 H GLU A 43 7.042 -13.690 -3.468 1.00 0.00 H new ATOM 0 HA GLU A 43 7.533 -16.011 -5.244 1.00 0.00 H new ATOM 0 HB2 GLU A 43 5.182 -14.064 -5.181 1.00 0.00 H new ATOM 0 HB3 GLU A 43 5.527 -15.103 -6.549 1.00 0.00 H new ATOM 0 HG2 GLU A 43 5.332 -17.120 -5.119 1.00 0.00 H new ATOM 0 HG3 GLU A 43 5.112 -16.124 -3.694 1.00 0.00 H new ATOM 681 N ASP A 44 8.879 -14.515 -6.691 1.00 0.00 N ATOM 682 CA ASP A 44 9.663 -13.662 -7.577 1.00 0.00 C ATOM 683 C ASP A 44 8.921 -13.432 -8.889 1.00 0.00 C ATOM 684 O ASP A 44 8.521 -14.382 -9.562 1.00 0.00 O ATOM 685 CB ASP A 44 11.019 -14.309 -7.860 1.00 0.00 C ATOM 686 CG ASP A 44 12.000 -13.262 -8.379 1.00 0.00 C ATOM 687 OD1 ASP A 44 11.743 -12.086 -8.176 1.00 0.00 O ATOM 688 OD2 ASP A 44 12.991 -13.651 -8.973 1.00 0.00 O ATOM 0 H ASP A 44 9.173 -15.491 -6.670 1.00 0.00 H new ATOM 0 HA ASP A 44 9.817 -12.701 -7.086 1.00 0.00 H new ATOM 0 HB2 ASP A 44 11.410 -14.766 -6.951 1.00 0.00 H new ATOM 0 HB3 ASP A 44 10.904 -15.107 -8.594 1.00 0.00 H new ATOM 693 N GLY A 45 8.739 -12.165 -9.246 1.00 0.00 N ATOM 694 CA GLY A 45 8.041 -11.821 -10.480 1.00 0.00 C ATOM 695 C GLY A 45 6.918 -10.828 -10.207 1.00 0.00 C ATOM 696 O GLY A 45 6.535 -10.054 -11.084 1.00 0.00 O ATOM 0 H GLY A 45 9.062 -11.364 -8.703 1.00 0.00 H new ATOM 0 HA2 GLY A 45 8.745 -11.394 -11.194 1.00 0.00 H new ATOM 0 HA3 GLY A 45 7.632 -12.723 -10.936 1.00 0.00 H new ATOM 700 N LEU A 46 6.393 -10.858 -8.986 1.00 0.00 N ATOM 701 CA LEU A 46 5.314 -9.955 -8.607 1.00 0.00 C ATOM 702 C LEU A 46 5.792 -8.507 -8.634 1.00 0.00 C ATOM 703 O LEU A 46 6.918 -8.208 -8.236 1.00 0.00 O ATOM 704 CB LEU A 46 4.808 -10.305 -7.208 1.00 0.00 C ATOM 705 CG LEU A 46 3.904 -11.536 -7.289 1.00 0.00 C ATOM 706 CD1 LEU A 46 2.593 -11.161 -7.982 1.00 0.00 C ATOM 707 CD2 LEU A 46 4.609 -12.632 -8.092 1.00 0.00 C ATOM 0 H LEU A 46 6.695 -11.493 -8.247 1.00 0.00 H new ATOM 0 HA LEU A 46 4.501 -10.068 -9.324 1.00 0.00 H new ATOM 0 HB2 LEU A 46 5.649 -10.501 -6.543 1.00 0.00 H new ATOM 0 HB3 LEU A 46 4.258 -9.463 -6.787 1.00 0.00 H new ATOM 0 HG LEU A 46 3.692 -11.899 -6.283 1.00 0.00 H new ATOM 0 HD11 LEU A 46 1.948 -12.038 -8.040 1.00 0.00 H new ATOM 0 HD12 LEU A 46 2.091 -10.379 -7.412 1.00 0.00 H new ATOM 0 HD13 LEU A 46 2.804 -10.799 -8.988 1.00 0.00 H new ATOM 0 HD21 LEU A 46 3.966 -13.510 -8.151 1.00 0.00 H new ATOM 0 HD22 LEU A 46 4.819 -12.268 -9.098 1.00 0.00 H new ATOM 0 HD23 LEU A 46 5.544 -12.899 -7.600 1.00 0.00 H new ATOM 719 N THR A 47 4.930 -7.614 -9.107 1.00 0.00 N ATOM 720 CA THR A 47 5.276 -6.200 -9.184 1.00 0.00 C ATOM 721 C THR A 47 4.834 -5.469 -7.920 1.00 0.00 C ATOM 722 O THR A 47 5.546 -4.604 -7.410 1.00 0.00 O ATOM 723 CB THR A 47 4.610 -5.565 -10.407 1.00 0.00 C ATOM 724 OG1 THR A 47 3.425 -4.892 -10.004 1.00 0.00 O ATOM 725 CG2 THR A 47 4.262 -6.654 -11.423 1.00 0.00 C ATOM 0 H THR A 47 3.993 -7.842 -9.441 1.00 0.00 H new ATOM 0 HA THR A 47 6.359 -6.115 -9.277 1.00 0.00 H new ATOM 0 HB THR A 47 5.295 -4.851 -10.864 1.00 0.00 H new ATOM 0 HG1 THR A 47 2.999 -4.484 -10.786 1.00 0.00 H new ATOM 0 HG21 THR A 47 3.788 -6.201 -12.294 1.00 0.00 H new ATOM 0 HG22 THR A 47 5.172 -7.168 -11.732 1.00 0.00 H new ATOM 0 HG23 THR A 47 3.578 -7.370 -10.969 1.00 0.00 H new ATOM 733 N PRO A 48 3.678 -5.802 -7.411 1.00 0.00 N ATOM 734 CA PRO A 48 3.125 -5.169 -6.179 1.00 0.00 C ATOM 735 C PRO A 48 3.978 -5.472 -4.951 1.00 0.00 C ATOM 736 O PRO A 48 5.144 -5.853 -5.071 1.00 0.00 O ATOM 737 CB PRO A 48 1.725 -5.783 -6.031 1.00 0.00 C ATOM 738 CG PRO A 48 1.426 -6.455 -7.332 1.00 0.00 C ATOM 739 CD PRO A 48 2.771 -6.817 -7.955 1.00 0.00 C ATOM 0 HA PRO A 48 3.105 -4.082 -6.259 1.00 0.00 H new ATOM 0 HB2 PRO A 48 1.698 -6.498 -5.208 1.00 0.00 H new ATOM 0 HB3 PRO A 48 0.984 -5.015 -5.810 1.00 0.00 H new ATOM 0 HG2 PRO A 48 0.818 -7.347 -7.177 1.00 0.00 H new ATOM 0 HG3 PRO A 48 0.860 -5.794 -7.989 1.00 0.00 H new ATOM 0 HD2 PRO A 48 3.083 -7.825 -7.680 1.00 0.00 H new ATOM 0 HD3 PRO A 48 2.733 -6.781 -9.044 1.00 0.00 H new ATOM 747 N ASP A 49 3.390 -5.303 -3.772 1.00 0.00 N ATOM 748 CA ASP A 49 4.106 -5.564 -2.528 1.00 0.00 C ATOM 749 C ASP A 49 3.527 -6.789 -1.826 1.00 0.00 C ATOM 750 O ASP A 49 4.246 -7.739 -1.520 1.00 0.00 O ATOM 751 CB ASP A 49 4.009 -4.350 -1.604 1.00 0.00 C ATOM 752 CG ASP A 49 4.831 -3.198 -2.170 1.00 0.00 C ATOM 753 OD1 ASP A 49 5.352 -3.347 -3.262 1.00 0.00 O ATOM 754 OD2 ASP A 49 4.927 -2.181 -1.501 1.00 0.00 O ATOM 0 H ASP A 49 2.427 -4.989 -3.651 1.00 0.00 H new ATOM 0 HA ASP A 49 5.153 -5.755 -2.765 1.00 0.00 H new ATOM 0 HB2 ASP A 49 2.968 -4.046 -1.497 1.00 0.00 H new ATOM 0 HB3 ASP A 49 4.369 -4.610 -0.609 1.00 0.00 H new ATOM 759 N PHE A 50 2.222 -6.757 -1.574 1.00 0.00 N ATOM 760 CA PHE A 50 1.557 -7.870 -0.907 1.00 0.00 C ATOM 761 C PHE A 50 0.283 -8.255 -1.651 1.00 0.00 C ATOM 762 O PHE A 50 -0.526 -7.395 -2.003 1.00 0.00 O ATOM 763 CB PHE A 50 1.217 -7.487 0.535 1.00 0.00 C ATOM 764 CG PHE A 50 2.493 -7.253 1.307 1.00 0.00 C ATOM 765 CD1 PHE A 50 3.223 -8.342 1.798 1.00 0.00 C ATOM 766 CD2 PHE A 50 2.944 -5.949 1.532 1.00 0.00 C ATOM 767 CE1 PHE A 50 4.406 -8.125 2.514 1.00 0.00 C ATOM 768 CE2 PHE A 50 4.127 -5.730 2.249 1.00 0.00 C ATOM 769 CZ PHE A 50 4.858 -6.819 2.741 1.00 0.00 C ATOM 0 H PHE A 50 1.609 -5.980 -1.819 1.00 0.00 H new ATOM 0 HA PHE A 50 2.233 -8.725 -0.904 1.00 0.00 H new ATOM 0 HB2 PHE A 50 0.601 -6.588 0.548 1.00 0.00 H new ATOM 0 HB3 PHE A 50 0.635 -8.279 1.005 1.00 0.00 H new ATOM 0 HD1 PHE A 50 2.874 -9.349 1.624 1.00 0.00 H new ATOM 0 HD2 PHE A 50 2.380 -5.110 1.153 1.00 0.00 H new ATOM 0 HE1 PHE A 50 4.970 -8.965 2.891 1.00 0.00 H new ATOM 0 HE2 PHE A 50 4.475 -4.723 2.422 1.00 0.00 H new ATOM 0 HZ PHE A 50 5.770 -6.652 3.295 1.00 0.00 H new ATOM 779 N TYR A 51 0.113 -9.550 -1.891 1.00 0.00 N ATOM 780 CA TYR A 51 -1.065 -10.039 -2.599 1.00 0.00 C ATOM 781 C TYR A 51 -1.991 -10.793 -1.649 1.00 0.00 C ATOM 782 O TYR A 51 -1.675 -11.898 -1.208 1.00 0.00 O ATOM 783 CB TYR A 51 -0.637 -10.966 -3.740 1.00 0.00 C ATOM 784 CG TYR A 51 -1.303 -10.533 -5.025 1.00 0.00 C ATOM 785 CD1 TYR A 51 -2.696 -10.411 -5.085 1.00 0.00 C ATOM 786 CD2 TYR A 51 -0.526 -10.256 -6.156 1.00 0.00 C ATOM 787 CE1 TYR A 51 -3.313 -10.012 -6.277 1.00 0.00 C ATOM 788 CE2 TYR A 51 -1.142 -9.857 -7.347 1.00 0.00 C ATOM 789 CZ TYR A 51 -2.536 -9.734 -7.408 1.00 0.00 C ATOM 790 OH TYR A 51 -3.143 -9.340 -8.582 1.00 0.00 O ATOM 0 H TYR A 51 0.771 -10.276 -1.608 1.00 0.00 H new ATOM 0 HA TYR A 51 -1.603 -9.183 -3.005 1.00 0.00 H new ATOM 0 HB2 TYR A 51 0.447 -10.941 -3.855 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -0.909 -11.995 -3.507 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -3.295 -10.625 -4.212 1.00 0.00 H new ATOM 0 HD2 TYR A 51 0.549 -10.350 -6.109 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -4.388 -9.919 -6.324 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -0.543 -9.644 -8.220 1.00 0.00 H new ATOM 0 HH TYR A 51 -3.579 -8.472 -8.450 1.00 0.00 H new ATOM 800 N LEU A 52 -3.134 -10.190 -1.341 1.00 0.00 N ATOM 801 CA LEU A 52 -4.099 -10.816 -0.445 1.00 0.00 C ATOM 802 C LEU A 52 -4.762 -12.010 -1.126 1.00 0.00 C ATOM 803 O LEU A 52 -4.970 -13.054 -0.509 1.00 0.00 O ATOM 804 CB LEU A 52 -5.168 -9.799 -0.034 1.00 0.00 C ATOM 805 CG LEU A 52 -5.060 -9.515 1.465 1.00 0.00 C ATOM 806 CD1 LEU A 52 -5.897 -8.283 1.813 1.00 0.00 C ATOM 807 CD2 LEU A 52 -5.580 -10.720 2.252 1.00 0.00 C ATOM 0 H LEU A 52 -3.414 -9.275 -1.695 1.00 0.00 H new ATOM 0 HA LEU A 52 -3.572 -11.164 0.443 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -5.041 -8.875 -0.599 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -6.160 -10.184 -0.270 1.00 0.00 H new ATOM 0 HG LEU A 52 -4.017 -9.332 1.724 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -5.820 -8.081 2.881 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -5.529 -7.423 1.253 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -6.940 -8.466 1.553 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -5.503 -10.518 3.320 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -6.623 -10.902 1.991 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -4.985 -11.600 2.006 1.00 0.00 H new ATOM 819 N SER A 53 -5.091 -11.845 -2.404 1.00 0.00 N ATOM 820 CA SER A 53 -5.729 -12.913 -3.164 1.00 0.00 C ATOM 821 C SER A 53 -5.677 -12.608 -4.657 1.00 0.00 C ATOM 822 O SER A 53 -5.059 -11.631 -5.080 1.00 0.00 O ATOM 823 CB SER A 53 -7.184 -13.067 -2.725 1.00 0.00 C ATOM 824 OG SER A 53 -7.929 -11.939 -3.165 1.00 0.00 O ATOM 0 H SER A 53 -4.927 -10.987 -2.932 1.00 0.00 H new ATOM 0 HA SER A 53 -5.192 -13.842 -2.974 1.00 0.00 H new ATOM 0 HB2 SER A 53 -7.607 -13.981 -3.141 1.00 0.00 H new ATOM 0 HB3 SER A 53 -7.241 -13.154 -1.640 1.00 0.00 H new ATOM 0 HG SER A 53 -8.864 -12.035 -2.886 1.00 0.00 H new ATOM 830 N ASN A 54 -6.333 -13.447 -5.450 1.00 0.00 N ATOM 831 CA ASN A 54 -6.355 -13.254 -6.894 1.00 0.00 C ATOM 832 C ASN A 54 -7.371 -12.182 -7.274 1.00 0.00 C ATOM 833 O ASN A 54 -7.812 -12.111 -8.422 1.00 0.00 O ATOM 834 CB ASN A 54 -6.716 -14.566 -7.594 1.00 0.00 C ATOM 835 CG ASN A 54 -6.080 -15.742 -6.861 1.00 0.00 C ATOM 836 OD1 ASN A 54 -5.101 -16.316 -7.338 1.00 0.00 O ATOM 837 ND2 ASN A 54 -6.583 -16.140 -5.724 1.00 0.00 N ATOM 0 H ASN A 54 -6.852 -14.261 -5.121 1.00 0.00 H new ATOM 0 HA ASN A 54 -5.363 -12.933 -7.212 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -7.799 -14.687 -7.621 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -6.372 -14.542 -8.628 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -6.165 -16.928 -5.229 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -7.394 -15.663 -5.330 1.00 0.00 H new ATOM 844 N ARG A 55 -7.744 -11.351 -6.304 1.00 0.00 N ATOM 845 CA ARG A 55 -8.716 -10.293 -6.558 1.00 0.00 C ATOM 846 C ARG A 55 -8.355 -9.018 -5.797 1.00 0.00 C ATOM 847 O ARG A 55 -9.096 -8.035 -5.839 1.00 0.00 O ATOM 848 CB ARG A 55 -10.113 -10.761 -6.134 1.00 0.00 C ATOM 849 CG ARG A 55 -11.048 -10.757 -7.346 1.00 0.00 C ATOM 850 CD ARG A 55 -12.500 -10.809 -6.870 1.00 0.00 C ATOM 851 NE ARG A 55 -13.358 -11.339 -7.922 1.00 0.00 N ATOM 852 CZ ARG A 55 -13.543 -10.676 -9.058 1.00 0.00 C ATOM 853 NH1 ARG A 55 -12.952 -9.527 -9.247 1.00 0.00 N ATOM 854 NH2 ARG A 55 -14.315 -11.172 -9.987 1.00 0.00 N ATOM 0 H ARG A 55 -7.393 -11.389 -5.347 1.00 0.00 H new ATOM 0 HA ARG A 55 -8.706 -10.072 -7.625 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -10.058 -11.763 -5.708 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -10.506 -10.106 -5.357 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -10.882 -9.861 -7.944 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -10.833 -11.612 -7.987 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -12.576 -11.434 -5.980 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -12.833 -9.810 -6.588 1.00 0.00 H new ATOM 0 HE ARG A 55 -13.825 -12.235 -7.783 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -12.348 -9.139 -8.522 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -13.094 -9.018 -10.119 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -14.777 -12.070 -9.841 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -14.456 -10.662 -10.859 1.00 0.00 H new ATOM 868 N CYS A 56 -7.222 -9.034 -5.103 1.00 0.00 N ATOM 869 CA CYS A 56 -6.798 -7.862 -4.344 1.00 0.00 C ATOM 870 C CYS A 56 -5.280 -7.813 -4.213 1.00 0.00 C ATOM 871 O CYS A 56 -4.609 -8.845 -4.227 1.00 0.00 O ATOM 872 CB CYS A 56 -7.432 -7.886 -2.952 1.00 0.00 C ATOM 873 SG CYS A 56 -9.119 -7.238 -3.046 1.00 0.00 S ATOM 0 H CYS A 56 -6.589 -9.832 -5.050 1.00 0.00 H new ATOM 0 HA CYS A 56 -7.127 -6.973 -4.882 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -7.443 -8.904 -2.563 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -6.839 -7.287 -2.260 1.00 0.00 H new ATOM 0 HG CYS A 56 -9.569 -7.374 -4.258 1.00 0.00 H new ATOM 879 N CYS A 57 -4.748 -6.601 -4.084 1.00 0.00 N ATOM 880 CA CYS A 57 -3.308 -6.412 -3.947 1.00 0.00 C ATOM 881 C CYS A 57 -3.018 -5.154 -3.133 1.00 0.00 C ATOM 882 O CYS A 57 -3.864 -4.268 -3.024 1.00 0.00 O ATOM 883 CB CYS A 57 -2.662 -6.293 -5.328 1.00 0.00 C ATOM 884 SG CYS A 57 -3.770 -6.996 -6.574 1.00 0.00 S ATOM 0 H CYS A 57 -5.291 -5.738 -4.072 1.00 0.00 H new ATOM 0 HA CYS A 57 -2.889 -7.275 -3.429 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -2.457 -5.247 -5.557 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -1.705 -6.815 -5.340 1.00 0.00 H new ATOM 0 HG CYS A 57 -3.659 -8.291 -6.572 1.00 0.00 H new ATOM 890 N ILE A 58 -1.819 -5.082 -2.560 1.00 0.00 N ATOM 891 CA ILE A 58 -1.442 -3.924 -1.756 1.00 0.00 C ATOM 892 C ILE A 58 -0.079 -3.385 -2.184 1.00 0.00 C ATOM 893 O ILE A 58 0.880 -4.142 -2.340 1.00 0.00 O ATOM 894 CB ILE A 58 -1.402 -4.311 -0.274 1.00 0.00 C ATOM 895 CG1 ILE A 58 -2.797 -4.141 0.334 1.00 0.00 C ATOM 896 CG2 ILE A 58 -0.413 -3.411 0.470 1.00 0.00 C ATOM 897 CD1 ILE A 58 -2.829 -4.778 1.725 1.00 0.00 C ATOM 0 H ILE A 58 -1.101 -5.802 -2.636 1.00 0.00 H new ATOM 0 HA ILE A 58 -2.186 -3.143 -1.909 1.00 0.00 H new ATOM 0 HB ILE A 58 -1.085 -5.350 -0.182 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -3.049 -3.083 0.401 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -3.544 -4.607 -0.308 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -0.388 -3.690 1.523 1.00 0.00 H new ATOM 0 HG22 ILE A 58 0.581 -3.530 0.040 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -0.727 -2.371 0.378 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -3.822 -4.657 2.158 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -2.595 -5.840 1.645 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -2.093 -4.292 2.365 1.00 0.00 H new ATOM 909 N LEU A 59 -0.001 -2.069 -2.361 1.00 0.00 N ATOM 910 CA LEU A 59 1.248 -1.430 -2.759 1.00 0.00 C ATOM 911 C LEU A 59 1.692 -0.436 -1.689 1.00 0.00 C ATOM 912 O LEU A 59 0.873 0.299 -1.136 1.00 0.00 O ATOM 913 CB LEU A 59 1.068 -0.704 -4.097 1.00 0.00 C ATOM 914 CG LEU A 59 1.965 -1.349 -5.156 1.00 0.00 C ATOM 915 CD1 LEU A 59 1.625 -0.774 -6.532 1.00 0.00 C ATOM 916 CD2 LEU A 59 3.431 -1.056 -4.830 1.00 0.00 C ATOM 0 H LEU A 59 -0.784 -1.428 -2.236 1.00 0.00 H new ATOM 0 HA LEU A 59 2.013 -2.199 -2.872 1.00 0.00 H new ATOM 0 HB2 LEU A 59 0.025 -0.752 -4.411 1.00 0.00 H new ATOM 0 HB3 LEU A 59 1.319 0.351 -3.987 1.00 0.00 H new ATOM 0 HG LEU A 59 1.802 -2.427 -5.162 1.00 0.00 H new ATOM 0 HD11 LEU A 59 2.264 -1.233 -7.286 1.00 0.00 H new ATOM 0 HD12 LEU A 59 0.581 -0.982 -6.765 1.00 0.00 H new ATOM 0 HD13 LEU A 59 1.788 0.304 -6.526 1.00 0.00 H new ATOM 0 HD21 LEU A 59 4.070 -1.515 -5.584 1.00 0.00 H new ATOM 0 HD22 LEU A 59 3.594 0.022 -4.824 1.00 0.00 H new ATOM 0 HD23 LEU A 59 3.675 -1.465 -3.850 1.00 0.00 H new ATOM 928 N TYR A 60 2.988 -0.423 -1.394 1.00 0.00 N ATOM 929 CA TYR A 60 3.519 0.481 -0.379 1.00 0.00 C ATOM 930 C TYR A 60 4.171 1.701 -1.023 1.00 0.00 C ATOM 931 O TYR A 60 4.939 1.578 -1.978 1.00 0.00 O ATOM 932 CB TYR A 60 4.549 -0.255 0.482 1.00 0.00 C ATOM 933 CG TYR A 60 4.862 0.567 1.710 1.00 0.00 C ATOM 934 CD1 TYR A 60 3.923 0.672 2.743 1.00 0.00 C ATOM 935 CD2 TYR A 60 6.095 1.224 1.815 1.00 0.00 C ATOM 936 CE1 TYR A 60 4.218 1.432 3.882 1.00 0.00 C ATOM 937 CE2 TYR A 60 6.388 1.984 2.953 1.00 0.00 C ATOM 938 CZ TYR A 60 5.450 2.088 3.987 1.00 0.00 C ATOM 939 OH TYR A 60 5.740 2.837 5.109 1.00 0.00 O ATOM 0 H TYR A 60 3.684 -1.022 -1.838 1.00 0.00 H new ATOM 0 HA TYR A 60 2.692 0.819 0.245 1.00 0.00 H new ATOM 0 HB2 TYR A 60 4.163 -1.231 0.774 1.00 0.00 H new ATOM 0 HB3 TYR A 60 5.459 -0.431 -0.092 1.00 0.00 H new ATOM 0 HD1 TYR A 60 2.972 0.167 2.662 1.00 0.00 H new ATOM 0 HD2 TYR A 60 6.819 1.144 1.018 1.00 0.00 H new ATOM 0 HE1 TYR A 60 3.494 1.512 4.680 1.00 0.00 H new ATOM 0 HE2 TYR A 60 7.338 2.491 3.034 1.00 0.00 H new ATOM 0 HH TYR A 60 6.636 3.224 5.021 1.00 0.00 H new ATOM 949 N VAL A 61 3.863 2.879 -0.488 1.00 0.00 N ATOM 950 CA VAL A 61 4.426 4.118 -1.011 1.00 0.00 C ATOM 951 C VAL A 61 4.982 4.969 0.126 1.00 0.00 C ATOM 952 O VAL A 61 4.372 5.079 1.189 1.00 0.00 O ATOM 953 CB VAL A 61 3.354 4.908 -1.763 1.00 0.00 C ATOM 954 CG1 VAL A 61 4.014 6.037 -2.559 1.00 0.00 C ATOM 955 CG2 VAL A 61 2.613 3.975 -2.722 1.00 0.00 C ATOM 0 H VAL A 61 3.230 3.001 0.303 1.00 0.00 H new ATOM 0 HA VAL A 61 5.235 3.866 -1.697 1.00 0.00 H new ATOM 0 HB VAL A 61 2.648 5.332 -1.049 1.00 0.00 H new ATOM 0 HG11 VAL A 61 3.249 6.600 -3.095 1.00 0.00 H new ATOM 0 HG12 VAL A 61 4.543 6.702 -1.877 1.00 0.00 H new ATOM 0 HG13 VAL A 61 4.720 5.614 -3.273 1.00 0.00 H new ATOM 0 HG21 VAL A 61 1.849 4.537 -3.259 1.00 0.00 H new ATOM 0 HG22 VAL A 61 3.319 3.551 -3.436 1.00 0.00 H new ATOM 0 HG23 VAL A 61 2.142 3.171 -2.156 1.00 0.00 H new ATOM 965 N THR A 62 6.144 5.571 -0.106 1.00 0.00 N ATOM 966 CA THR A 62 6.772 6.411 0.907 1.00 0.00 C ATOM 967 C THR A 62 6.856 7.854 0.423 1.00 0.00 C ATOM 968 O THR A 62 7.009 8.109 -0.771 1.00 0.00 O ATOM 969 CB THR A 62 8.178 5.889 1.217 1.00 0.00 C ATOM 970 OG1 THR A 62 8.822 6.776 2.120 1.00 0.00 O ATOM 971 CG2 THR A 62 8.987 5.796 -0.077 1.00 0.00 C ATOM 0 H THR A 62 6.666 5.494 -0.979 1.00 0.00 H new ATOM 0 HA THR A 62 6.166 6.378 1.812 1.00 0.00 H new ATOM 0 HB THR A 62 8.107 4.900 1.669 1.00 0.00 H new ATOM 0 HG1 THR A 62 8.489 6.618 3.028 1.00 0.00 H new ATOM 0 HG21 THR A 62 9.987 5.424 0.145 1.00 0.00 H new ATOM 0 HG22 THR A 62 8.492 5.114 -0.768 1.00 0.00 H new ATOM 0 HG23 THR A 62 9.060 6.784 -0.532 1.00 0.00 H new ATOM 979 N GLU A 63 6.753 8.795 1.356 1.00 0.00 N ATOM 980 CA GLU A 63 6.819 10.209 1.005 1.00 0.00 C ATOM 981 C GLU A 63 7.863 10.441 -0.083 1.00 0.00 C ATOM 982 O GLU A 63 7.672 11.270 -0.972 1.00 0.00 O ATOM 983 CB GLU A 63 7.171 11.041 2.239 1.00 0.00 C ATOM 984 CG GLU A 63 7.156 12.525 1.874 1.00 0.00 C ATOM 985 CD GLU A 63 8.582 13.059 1.797 1.00 0.00 C ATOM 986 OE1 GLU A 63 9.241 12.787 0.807 1.00 0.00 O ATOM 987 OE2 GLU A 63 8.994 13.728 2.729 1.00 0.00 O ATOM 0 H GLU A 63 6.625 8.607 2.350 1.00 0.00 H new ATOM 0 HA GLU A 63 5.843 10.516 0.629 1.00 0.00 H new ATOM 0 HB2 GLU A 63 6.457 10.845 3.039 1.00 0.00 H new ATOM 0 HB3 GLU A 63 8.155 10.758 2.613 1.00 0.00 H new ATOM 0 HG2 GLU A 63 6.654 12.667 0.917 1.00 0.00 H new ATOM 0 HG3 GLU A 63 6.589 13.085 2.618 1.00 0.00 H new ATOM 994 N ALA A 64 8.966 9.703 -0.004 1.00 0.00 N ATOM 995 CA ALA A 64 10.033 9.836 -0.988 1.00 0.00 C ATOM 996 C ALA A 64 9.468 9.753 -2.401 1.00 0.00 C ATOM 997 O ALA A 64 9.925 10.449 -3.307 1.00 0.00 O ATOM 998 CB ALA A 64 11.072 8.732 -0.786 1.00 0.00 C ATOM 0 H ALA A 64 9.143 9.012 0.725 1.00 0.00 H new ATOM 0 HA ALA A 64 10.507 10.808 -0.854 1.00 0.00 H new ATOM 0 HB1 ALA A 64 11.865 8.839 -1.526 1.00 0.00 H new ATOM 0 HB2 ALA A 64 11.496 8.810 0.215 1.00 0.00 H new ATOM 0 HB3 ALA A 64 10.596 7.758 -0.903 1.00 0.00 H new ATOM 1004 N ASP A 65 8.469 8.896 -2.580 1.00 0.00 N ATOM 1005 CA ASP A 65 7.844 8.727 -3.886 1.00 0.00 C ATOM 1006 C ASP A 65 6.999 9.946 -4.241 1.00 0.00 C ATOM 1007 O ASP A 65 6.994 10.397 -5.386 1.00 0.00 O ATOM 1008 CB ASP A 65 6.963 7.476 -3.884 1.00 0.00 C ATOM 1009 CG ASP A 65 7.729 6.302 -3.283 1.00 0.00 C ATOM 1010 OD1 ASP A 65 8.886 6.135 -3.630 1.00 0.00 O ATOM 1011 OD2 ASP A 65 7.146 5.589 -2.482 1.00 0.00 O ATOM 0 H ASP A 65 8.077 8.311 -1.842 1.00 0.00 H new ATOM 0 HA ASP A 65 8.631 8.617 -4.632 1.00 0.00 H new ATOM 0 HB2 ASP A 65 6.055 7.661 -3.310 1.00 0.00 H new ATOM 0 HB3 ASP A 65 6.654 7.237 -4.901 1.00 0.00 H new ATOM 1016 N LEU A 66 6.286 10.476 -3.252 1.00 0.00 N ATOM 1017 CA LEU A 66 5.442 11.644 -3.478 1.00 0.00 C ATOM 1018 C LEU A 66 6.261 12.789 -4.067 1.00 0.00 C ATOM 1019 O LEU A 66 5.820 13.464 -4.997 1.00 0.00 O ATOM 1020 CB LEU A 66 4.799 12.097 -2.163 1.00 0.00 C ATOM 1021 CG LEU A 66 4.262 13.519 -2.329 1.00 0.00 C ATOM 1022 CD1 LEU A 66 2.926 13.651 -1.597 1.00 0.00 C ATOM 1023 CD2 LEU A 66 5.267 14.513 -1.743 1.00 0.00 C ATOM 0 H LEU A 66 6.275 10.120 -2.296 1.00 0.00 H new ATOM 0 HA LEU A 66 4.659 11.368 -4.184 1.00 0.00 H new ATOM 0 HB2 LEU A 66 3.990 11.420 -1.888 1.00 0.00 H new ATOM 0 HB3 LEU A 66 5.531 12.064 -1.356 1.00 0.00 H new ATOM 0 HG LEU A 66 4.115 13.731 -3.388 1.00 0.00 H new ATOM 0 HD11 LEU A 66 2.544 14.665 -1.716 1.00 0.00 H new ATOM 0 HD12 LEU A 66 2.211 12.943 -2.015 1.00 0.00 H new ATOM 0 HD13 LEU A 66 3.069 13.439 -0.537 1.00 0.00 H new ATOM 0 HD21 LEU A 66 4.886 15.527 -1.860 1.00 0.00 H new ATOM 0 HD22 LEU A 66 5.414 14.301 -0.684 1.00 0.00 H new ATOM 0 HD23 LEU A 66 6.218 14.420 -2.267 1.00 0.00 H new ATOM 1035 N VAL A 67 7.454 13.001 -3.520 1.00 0.00 N ATOM 1036 CA VAL A 67 8.323 14.069 -4.002 1.00 0.00 C ATOM 1037 C VAL A 67 8.457 14.005 -5.520 1.00 0.00 C ATOM 1038 O VAL A 67 8.494 15.035 -6.193 1.00 0.00 O ATOM 1039 CB VAL A 67 9.706 13.951 -3.360 1.00 0.00 C ATOM 1040 CG1 VAL A 67 10.505 15.226 -3.633 1.00 0.00 C ATOM 1041 CG2 VAL A 67 9.553 13.757 -1.847 1.00 0.00 C ATOM 0 H VAL A 67 7.838 12.453 -2.750 1.00 0.00 H new ATOM 0 HA VAL A 67 7.878 15.025 -3.727 1.00 0.00 H new ATOM 0 HB VAL A 67 10.231 13.095 -3.784 1.00 0.00 H new ATOM 0 HG11 VAL A 67 11.491 15.143 -3.176 1.00 0.00 H new ATOM 0 HG12 VAL A 67 10.615 15.363 -4.709 1.00 0.00 H new ATOM 0 HG13 VAL A 67 9.980 16.082 -3.209 1.00 0.00 H new ATOM 0 HG21 VAL A 67 10.539 13.673 -1.389 1.00 0.00 H new ATOM 0 HG22 VAL A 67 9.027 14.612 -1.422 1.00 0.00 H new ATOM 0 HG23 VAL A 67 8.984 12.848 -1.652 1.00 0.00 H new ATOM 1051 N ALA A 68 8.528 12.789 -6.051 1.00 0.00 N ATOM 1052 CA ALA A 68 8.657 12.604 -7.492 1.00 0.00 C ATOM 1053 C ALA A 68 7.358 12.985 -8.196 1.00 0.00 C ATOM 1054 O ALA A 68 7.308 13.969 -8.935 1.00 0.00 O ATOM 1055 CB ALA A 68 9.004 11.146 -7.803 1.00 0.00 C ATOM 0 H ALA A 68 8.499 11.924 -5.511 1.00 0.00 H new ATOM 0 HA ALA A 68 9.457 13.250 -7.855 1.00 0.00 H new ATOM 0 HB1 ALA A 68 9.098 11.016 -8.881 1.00 0.00 H new ATOM 0 HB2 ALA A 68 9.947 10.886 -7.322 1.00 0.00 H new ATOM 0 HB3 ALA A 68 8.214 10.496 -7.427 1.00 0.00 H new ATOM 1061 N GLY A 69 6.310 12.204 -7.959 1.00 0.00 N ATOM 1062 CA GLY A 69 5.015 12.470 -8.573 1.00 0.00 C ATOM 1063 C GLY A 69 5.022 12.093 -10.051 1.00 0.00 C ATOM 1064 O GLY A 69 4.107 12.447 -10.795 1.00 0.00 O ATOM 0 H GLY A 69 6.331 11.386 -7.350 1.00 0.00 H new ATOM 0 HA2 GLY A 69 4.240 11.906 -8.054 1.00 0.00 H new ATOM 0 HA3 GLY A 69 4.767 13.526 -8.465 1.00 0.00 H new ATOM 1068 N ASN A 70 6.058 11.374 -10.471 1.00 0.00 N ATOM 1069 CA ASN A 70 6.169 10.958 -11.863 1.00 0.00 C ATOM 1070 C ASN A 70 7.064 9.729 -11.990 1.00 0.00 C ATOM 1071 O ASN A 70 8.110 9.641 -11.347 1.00 0.00 O ATOM 1072 CB ASN A 70 6.746 12.099 -12.703 1.00 0.00 C ATOM 1073 CG ASN A 70 7.394 11.540 -13.966 1.00 0.00 C ATOM 1074 OD1 ASN A 70 6.718 10.922 -14.789 1.00 0.00 O ATOM 1075 ND2 ASN A 70 8.670 11.722 -14.170 1.00 0.00 N ATOM 0 H ASN A 70 6.826 11.070 -9.873 1.00 0.00 H new ATOM 0 HA ASN A 70 5.173 10.705 -12.226 1.00 0.00 H new ATOM 0 HB2 ASN A 70 5.956 12.801 -12.970 1.00 0.00 H new ATOM 0 HB3 ASN A 70 7.482 12.654 -12.121 1.00 0.00 H new ATOM 0 HD21 ASN A 70 9.110 11.352 -15.013 1.00 0.00 H new ATOM 0 HD22 ASN A 70 9.228 12.234 -13.487 1.00 0.00 H new ATOM 1082 N GLY A 71 6.647 8.784 -12.828 1.00 0.00 N ATOM 1083 CA GLY A 71 7.420 7.566 -13.038 1.00 0.00 C ATOM 1084 C GLY A 71 6.953 6.449 -12.109 1.00 0.00 C ATOM 1085 O GLY A 71 6.893 5.286 -12.505 1.00 0.00 O ATOM 0 H GLY A 71 5.784 8.838 -13.369 1.00 0.00 H new ATOM 0 HA2 GLY A 71 7.323 7.245 -14.075 1.00 0.00 H new ATOM 0 HA3 GLY A 71 8.477 7.769 -12.865 1.00 0.00 H new ATOM 1089 N TYR A 72 6.629 6.810 -10.872 1.00 0.00 N ATOM 1090 CA TYR A 72 6.175 5.826 -9.895 1.00 0.00 C ATOM 1091 C TYR A 72 4.688 5.535 -10.070 1.00 0.00 C ATOM 1092 O TYR A 72 4.202 4.480 -9.662 1.00 0.00 O ATOM 1093 CB TYR A 72 6.434 6.341 -8.478 1.00 0.00 C ATOM 1094 CG TYR A 72 6.498 5.173 -7.524 1.00 0.00 C ATOM 1095 CD1 TYR A 72 7.486 4.195 -7.681 1.00 0.00 C ATOM 1096 CD2 TYR A 72 5.569 5.069 -6.482 1.00 0.00 C ATOM 1097 CE1 TYR A 72 7.547 3.112 -6.797 1.00 0.00 C ATOM 1098 CE2 TYR A 72 5.629 3.985 -5.597 1.00 0.00 C ATOM 1099 CZ TYR A 72 6.618 3.007 -5.755 1.00 0.00 C ATOM 1100 OH TYR A 72 6.676 1.939 -4.884 1.00 0.00 O ATOM 0 H TYR A 72 6.671 7.768 -10.524 1.00 0.00 H new ATOM 0 HA TYR A 72 6.732 4.903 -10.055 1.00 0.00 H new ATOM 0 HB2 TYR A 72 7.369 6.901 -8.448 1.00 0.00 H new ATOM 0 HB3 TYR A 72 5.642 7.027 -8.178 1.00 0.00 H new ATOM 0 HD1 TYR A 72 8.202 4.276 -8.485 1.00 0.00 H new ATOM 0 HD2 TYR A 72 4.806 5.824 -6.361 1.00 0.00 H new ATOM 0 HE1 TYR A 72 8.310 2.358 -6.919 1.00 0.00 H new ATOM 0 HE2 TYR A 72 4.912 3.904 -4.793 1.00 0.00 H new ATOM 0 HH TYR A 72 5.960 2.019 -4.220 1.00 0.00 H new ATOM 1110 N ARG A 73 3.969 6.476 -10.674 1.00 0.00 N ATOM 1111 CA ARG A 73 2.536 6.306 -10.891 1.00 0.00 C ATOM 1112 C ARG A 73 2.273 5.212 -11.922 1.00 0.00 C ATOM 1113 O ARG A 73 1.352 4.410 -11.769 1.00 0.00 O ATOM 1114 CB ARG A 73 1.921 7.621 -11.373 1.00 0.00 C ATOM 1115 CG ARG A 73 0.421 7.626 -11.069 1.00 0.00 C ATOM 1116 CD ARG A 73 -0.207 8.910 -11.612 1.00 0.00 C ATOM 1117 NE ARG A 73 -0.203 8.899 -13.070 1.00 0.00 N ATOM 1118 CZ ARG A 73 -1.072 8.161 -13.753 1.00 0.00 C ATOM 1119 NH1 ARG A 73 -1.945 7.427 -13.119 1.00 0.00 N ATOM 1120 NH2 ARG A 73 -1.051 8.169 -15.059 1.00 0.00 N ATOM 0 H ARG A 73 4.351 7.357 -11.019 1.00 0.00 H new ATOM 0 HA ARG A 73 2.078 6.015 -9.946 1.00 0.00 H new ATOM 0 HB2 ARG A 73 2.405 8.464 -10.880 1.00 0.00 H new ATOM 0 HB3 ARG A 73 2.086 7.741 -12.444 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -0.055 6.756 -11.522 1.00 0.00 H new ATOM 0 HG3 ARG A 73 0.257 7.555 -9.994 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -1.229 9.006 -11.245 1.00 0.00 H new ATOM 0 HD3 ARG A 73 0.346 9.776 -11.247 1.00 0.00 H new ATOM 0 HE ARG A 73 0.478 9.467 -13.574 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -1.960 7.420 -12.099 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -2.612 6.861 -13.643 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -0.368 8.742 -15.555 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -1.718 7.603 -15.583 1.00 0.00 H new ATOM 1134 N LYS A 74 3.086 5.189 -12.972 1.00 0.00 N ATOM 1135 CA LYS A 74 2.930 4.191 -14.026 1.00 0.00 C ATOM 1136 C LYS A 74 2.831 2.790 -13.431 1.00 0.00 C ATOM 1137 O LYS A 74 2.272 1.883 -14.048 1.00 0.00 O ATOM 1138 CB LYS A 74 4.118 4.256 -14.987 1.00 0.00 C ATOM 1139 CG LYS A 74 4.033 3.098 -15.983 1.00 0.00 C ATOM 1140 CD LYS A 74 4.727 3.494 -17.287 1.00 0.00 C ATOM 1141 CE LYS A 74 3.698 4.073 -18.258 1.00 0.00 C ATOM 1142 NZ LYS A 74 2.959 5.184 -17.596 1.00 0.00 N ATOM 0 H LYS A 74 3.854 5.844 -13.117 1.00 0.00 H new ATOM 0 HA LYS A 74 2.010 4.407 -14.569 1.00 0.00 H new ATOM 0 HB2 LYS A 74 4.118 5.208 -15.519 1.00 0.00 H new ATOM 0 HB3 LYS A 74 5.053 4.202 -14.430 1.00 0.00 H new ATOM 0 HG2 LYS A 74 4.504 2.209 -15.564 1.00 0.00 H new ATOM 0 HG3 LYS A 74 2.990 2.846 -16.176 1.00 0.00 H new ATOM 0 HD2 LYS A 74 5.507 4.228 -17.087 1.00 0.00 H new ATOM 0 HD3 LYS A 74 5.213 2.625 -17.731 1.00 0.00 H new ATOM 0 HE2 LYS A 74 4.196 4.438 -19.157 1.00 0.00 H new ATOM 0 HE3 LYS A 74 3.002 3.296 -18.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 2.383 5.687 -18.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 2.340 4.796 -16.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 3.638 5.846 -17.168 1.00 0.00 H new ATOM 1156 N ARG A 75 3.379 2.619 -12.233 1.00 0.00 N ATOM 1157 CA ARG A 75 3.346 1.321 -11.568 1.00 0.00 C ATOM 1158 C ARG A 75 1.927 0.982 -11.123 1.00 0.00 C ATOM 1159 O ARG A 75 1.459 -0.142 -11.309 1.00 0.00 O ATOM 1160 CB ARG A 75 4.275 1.333 -10.353 1.00 0.00 C ATOM 1161 CG ARG A 75 5.675 1.776 -10.785 1.00 0.00 C ATOM 1162 CD ARG A 75 6.723 0.919 -10.074 1.00 0.00 C ATOM 1163 NE ARG A 75 8.058 1.454 -10.313 1.00 0.00 N ATOM 1164 CZ ARG A 75 9.134 0.876 -9.788 1.00 0.00 C ATOM 1165 NH1 ARG A 75 9.006 -0.189 -9.045 1.00 0.00 N ATOM 1166 NH2 ARG A 75 10.319 1.374 -10.016 1.00 0.00 N ATOM 0 H ARG A 75 3.848 3.356 -11.706 1.00 0.00 H new ATOM 0 HA ARG A 75 3.683 0.563 -12.275 1.00 0.00 H new ATOM 0 HB2 ARG A 75 3.887 2.010 -9.592 1.00 0.00 H new ATOM 0 HB3 ARG A 75 4.318 0.340 -9.905 1.00 0.00 H new ATOM 0 HG2 ARG A 75 5.782 1.678 -11.865 1.00 0.00 H new ATOM 0 HG3 ARG A 75 5.826 2.828 -10.544 1.00 0.00 H new ATOM 0 HD2 ARG A 75 6.519 0.896 -9.004 1.00 0.00 H new ATOM 0 HD3 ARG A 75 6.666 -0.109 -10.432 1.00 0.00 H new ATOM 0 HE ARG A 75 8.168 2.286 -10.893 1.00 0.00 H new ATOM 0 HH11 ARG A 75 8.080 -0.578 -8.867 1.00 0.00 H new ATOM 0 HH12 ARG A 75 9.832 -0.632 -8.642 1.00 0.00 H new ATOM 0 HH21 ARG A 75 10.419 2.206 -10.597 1.00 0.00 H new ATOM 0 HH22 ARG A 75 11.145 0.931 -9.613 1.00 0.00 H new ATOM 1180 N LEU A 76 1.246 1.961 -10.535 1.00 0.00 N ATOM 1181 CA LEU A 76 -0.120 1.756 -10.066 1.00 0.00 C ATOM 1182 C LEU A 76 -1.024 1.322 -11.217 1.00 0.00 C ATOM 1183 O LEU A 76 -1.803 0.378 -11.085 1.00 0.00 O ATOM 1184 CB LEU A 76 -0.661 3.049 -9.452 1.00 0.00 C ATOM 1185 CG LEU A 76 0.278 3.516 -8.338 1.00 0.00 C ATOM 1186 CD1 LEU A 76 -0.021 4.978 -7.998 1.00 0.00 C ATOM 1187 CD2 LEU A 76 0.068 2.648 -7.093 1.00 0.00 C ATOM 0 H LEU A 76 1.615 2.898 -10.373 1.00 0.00 H new ATOM 0 HA LEU A 76 -0.110 0.970 -9.311 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -0.746 3.820 -10.218 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -1.662 2.884 -9.053 1.00 0.00 H new ATOM 0 HG LEU A 76 1.311 3.425 -8.673 1.00 0.00 H new ATOM 0 HD11 LEU A 76 0.648 5.311 -7.204 1.00 0.00 H new ATOM 0 HD12 LEU A 76 0.130 5.596 -8.883 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -1.054 5.070 -7.664 1.00 0.00 H new ATOM 0 HD21 LEU A 76 0.737 2.981 -6.300 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -0.965 2.737 -6.757 1.00 0.00 H new ATOM 0 HD23 LEU A 76 0.282 1.607 -7.335 1.00 0.00 H new ATOM 1199 N VAL A 77 -0.916 2.019 -12.343 1.00 0.00 N ATOM 1200 CA VAL A 77 -1.729 1.699 -13.510 1.00 0.00 C ATOM 1201 C VAL A 77 -1.746 0.194 -13.759 1.00 0.00 C ATOM 1202 O VAL A 77 -2.790 -0.381 -14.067 1.00 0.00 O ATOM 1203 CB VAL A 77 -1.175 2.416 -14.743 1.00 0.00 C ATOM 1204 CG1 VAL A 77 -1.968 1.991 -15.981 1.00 0.00 C ATOM 1205 CG2 VAL A 77 -1.302 3.928 -14.552 1.00 0.00 C ATOM 0 H VAL A 77 -0.278 2.804 -12.472 1.00 0.00 H new ATOM 0 HA VAL A 77 -2.749 2.034 -13.321 1.00 0.00 H new ATOM 0 HB VAL A 77 -0.126 2.152 -14.876 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -1.573 2.502 -16.859 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -1.879 0.913 -16.118 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -3.017 2.255 -15.849 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -0.908 4.440 -15.430 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -2.351 4.191 -14.419 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -0.738 4.232 -13.670 1.00 0.00 H new ATOM 1215 N ARG A 78 -0.585 -0.436 -13.626 1.00 0.00 N ATOM 1216 CA ARG A 78 -0.478 -1.875 -13.842 1.00 0.00 C ATOM 1217 C ARG A 78 -1.625 -2.610 -13.153 1.00 0.00 C ATOM 1218 O ARG A 78 -2.317 -3.418 -13.773 1.00 0.00 O ATOM 1219 CB ARG A 78 0.856 -2.387 -13.296 1.00 0.00 C ATOM 1220 CG ARG A 78 2.006 -1.628 -13.961 1.00 0.00 C ATOM 1221 CD ARG A 78 2.098 -2.026 -15.435 1.00 0.00 C ATOM 1222 NE ARG A 78 1.831 -3.451 -15.592 1.00 0.00 N ATOM 1223 CZ ARG A 78 2.697 -4.364 -15.165 1.00 0.00 C ATOM 1224 NH1 ARG A 78 3.808 -3.991 -14.590 1.00 0.00 N ATOM 1225 NH2 ARG A 78 2.437 -5.634 -15.319 1.00 0.00 N ATOM 0 H ARG A 78 0.290 0.022 -13.372 1.00 0.00 H new ATOM 0 HA ARG A 78 -0.531 -2.066 -14.914 1.00 0.00 H new ATOM 0 HB2 ARG A 78 0.894 -2.252 -12.215 1.00 0.00 H new ATOM 0 HB3 ARG A 78 0.953 -3.456 -13.487 1.00 0.00 H new ATOM 0 HG2 ARG A 78 1.845 -0.554 -13.873 1.00 0.00 H new ATOM 0 HG3 ARG A 78 2.945 -1.852 -13.454 1.00 0.00 H new ATOM 0 HD2 ARG A 78 1.382 -1.448 -16.020 1.00 0.00 H new ATOM 0 HD3 ARG A 78 3.090 -1.790 -15.821 1.00 0.00 H new ATOM 0 HE ARG A 78 0.964 -3.752 -16.037 1.00 0.00 H new ATOM 0 HH11 ARG A 78 4.011 -2.999 -14.469 1.00 0.00 H new ATOM 0 HH12 ARG A 78 4.473 -4.692 -14.262 1.00 0.00 H new ATOM 0 HH21 ARG A 78 1.569 -5.926 -15.767 1.00 0.00 H new ATOM 0 HH22 ARG A 78 3.102 -6.334 -14.991 1.00 0.00 H new ATOM 1239 N VAL A 79 -1.818 -2.328 -11.868 1.00 0.00 N ATOM 1240 CA VAL A 79 -2.882 -2.972 -11.105 1.00 0.00 C ATOM 1241 C VAL A 79 -4.249 -2.622 -11.681 1.00 0.00 C ATOM 1242 O VAL A 79 -5.207 -3.382 -11.537 1.00 0.00 O ATOM 1243 CB VAL A 79 -2.815 -2.530 -9.642 1.00 0.00 C ATOM 1244 CG1 VAL A 79 -3.713 -3.431 -8.791 1.00 0.00 C ATOM 1245 CG2 VAL A 79 -1.372 -2.634 -9.146 1.00 0.00 C ATOM 0 H VAL A 79 -1.256 -1.663 -11.336 1.00 0.00 H new ATOM 0 HA VAL A 79 -2.743 -4.051 -11.167 1.00 0.00 H new ATOM 0 HB VAL A 79 -3.156 -1.498 -9.559 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -3.664 -3.114 -7.749 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -4.742 -3.358 -9.144 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -3.374 -4.464 -8.873 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -1.322 -2.319 -8.104 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -1.032 -3.666 -9.230 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -0.732 -1.991 -9.750 1.00 0.00 H new ATOM 1255 N ARG A 80 -4.335 -1.466 -12.332 1.00 0.00 N ATOM 1256 CA ARG A 80 -5.594 -1.026 -12.922 1.00 0.00 C ATOM 1257 C ARG A 80 -5.803 -1.669 -14.290 1.00 0.00 C ATOM 1258 O ARG A 80 -6.925 -2.020 -14.655 1.00 0.00 O ATOM 1259 CB ARG A 80 -5.598 0.497 -13.066 1.00 0.00 C ATOM 1260 CG ARG A 80 -7.032 0.987 -13.276 1.00 0.00 C ATOM 1261 CD ARG A 80 -7.048 2.087 -14.339 1.00 0.00 C ATOM 1262 NE ARG A 80 -8.176 2.984 -14.120 1.00 0.00 N ATOM 1263 CZ ARG A 80 -8.449 3.967 -14.972 1.00 0.00 C ATOM 1264 NH1 ARG A 80 -7.698 4.146 -16.024 1.00 0.00 N ATOM 1265 NH2 ARG A 80 -9.468 4.752 -14.758 1.00 0.00 N ATOM 0 H ARG A 80 -3.555 -0.822 -12.464 1.00 0.00 H new ATOM 0 HA ARG A 80 -6.407 -1.332 -12.264 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -5.172 0.958 -12.175 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -4.974 0.795 -13.909 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -7.668 0.158 -13.586 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -7.438 1.367 -12.339 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -6.115 2.649 -14.304 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -7.115 1.642 -15.332 1.00 0.00 H new ATOM 0 HE ARG A 80 -8.766 2.855 -13.298 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -6.901 3.532 -16.193 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -7.908 4.900 -16.678 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -10.056 4.612 -13.936 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -9.677 5.506 -15.412 1.00 0.00 H new ATOM 1279 N ASN A 81 -4.719 -1.816 -15.045 1.00 0.00 N ATOM 1280 CA ASN A 81 -4.800 -2.414 -16.372 1.00 0.00 C ATOM 1281 C ASN A 81 -4.800 -3.938 -16.283 1.00 0.00 C ATOM 1282 O ASN A 81 -5.025 -4.626 -17.278 1.00 0.00 O ATOM 1283 CB ASN A 81 -3.617 -1.954 -17.227 1.00 0.00 C ATOM 1284 CG ASN A 81 -3.397 -2.928 -18.379 1.00 0.00 C ATOM 1285 OD1 ASN A 81 -2.357 -3.582 -18.450 1.00 0.00 O ATOM 1286 ND2 ASN A 81 -4.320 -3.065 -19.291 1.00 0.00 N ATOM 0 H ASN A 81 -3.781 -1.532 -14.763 1.00 0.00 H new ATOM 0 HA ASN A 81 -5.733 -2.090 -16.834 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -3.806 -0.954 -17.617 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -2.717 -1.893 -16.615 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -4.180 -3.715 -20.064 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -5.181 -2.522 -19.230 1.00 0.00 H new ATOM 1293 N SER A 82 -4.546 -4.459 -15.087 1.00 0.00 N ATOM 1294 CA SER A 82 -4.521 -5.903 -14.887 1.00 0.00 C ATOM 1295 C SER A 82 -5.797 -6.541 -15.428 1.00 0.00 C ATOM 1296 O SER A 82 -5.803 -7.112 -16.519 1.00 0.00 O ATOM 1297 CB SER A 82 -4.379 -6.222 -13.398 1.00 0.00 C ATOM 1298 OG SER A 82 -3.068 -6.710 -13.145 1.00 0.00 O ATOM 0 H SER A 82 -4.356 -3.909 -14.249 1.00 0.00 H new ATOM 0 HA SER A 82 -3.667 -6.311 -15.428 1.00 0.00 H new ATOM 0 HB2 SER A 82 -4.568 -5.328 -12.803 1.00 0.00 H new ATOM 0 HB3 SER A 82 -5.120 -6.965 -13.101 1.00 0.00 H new ATOM 0 HG SER A 82 -2.973 -6.914 -12.191 1.00 0.00 H new ATOM 1304 N ASN A 83 -6.876 -6.437 -14.659 1.00 0.00 N ATOM 1305 CA ASN A 83 -8.154 -7.004 -15.071 1.00 0.00 C ATOM 1306 C ASN A 83 -9.308 -6.240 -14.430 1.00 0.00 C ATOM 1307 O ASN A 83 -10.021 -5.494 -15.100 1.00 0.00 O ATOM 1308 CB ASN A 83 -8.228 -8.477 -14.665 1.00 0.00 C ATOM 1309 CG ASN A 83 -7.980 -9.368 -15.877 1.00 0.00 C ATOM 1310 OD1 ASN A 83 -8.702 -9.280 -16.871 1.00 0.00 O ATOM 1311 ND2 ASN A 83 -6.996 -10.223 -15.857 1.00 0.00 N ATOM 0 H ASN A 83 -6.891 -5.969 -13.753 1.00 0.00 H new ATOM 0 HA ASN A 83 -8.234 -6.922 -16.155 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -7.488 -8.687 -13.892 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -9.206 -8.696 -14.237 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -6.823 -10.820 -16.665 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -6.399 -10.294 -15.033 1.00 0.00 H new ATOM 1318 N ASN A 84 -9.480 -6.432 -13.126 1.00 0.00 N ATOM 1319 CA ASN A 84 -10.545 -5.758 -12.394 1.00 0.00 C ATOM 1320 C ASN A 84 -10.491 -6.133 -10.917 1.00 0.00 C ATOM 1321 O ASN A 84 -11.458 -6.654 -10.361 1.00 0.00 O ATOM 1322 CB ASN A 84 -11.908 -6.146 -12.974 1.00 0.00 C ATOM 1323 CG ASN A 84 -12.963 -5.126 -12.558 1.00 0.00 C ATOM 1324 OD1 ASN A 84 -12.699 -4.269 -11.714 1.00 0.00 O ATOM 1325 ND2 ASN A 84 -14.148 -5.167 -13.101 1.00 0.00 N ATOM 0 H ASN A 84 -8.898 -7.046 -12.557 1.00 0.00 H new ATOM 0 HA ASN A 84 -10.406 -4.681 -12.492 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -11.848 -6.197 -14.061 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -12.192 -7.138 -12.624 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -14.858 -4.488 -12.827 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -14.364 -5.878 -13.800 1.00 0.00 H new ATOM 1332 N LEU A 85 -9.349 -5.869 -10.289 1.00 0.00 N ATOM 1333 CA LEU A 85 -9.171 -6.186 -8.877 1.00 0.00 C ATOM 1334 C LEU A 85 -9.151 -4.913 -8.036 1.00 0.00 C ATOM 1335 O LEU A 85 -8.621 -3.886 -8.459 1.00 0.00 O ATOM 1336 CB LEU A 85 -7.860 -6.951 -8.678 1.00 0.00 C ATOM 1337 CG LEU A 85 -7.463 -7.634 -9.987 1.00 0.00 C ATOM 1338 CD1 LEU A 85 -6.633 -6.671 -10.837 1.00 0.00 C ATOM 1339 CD2 LEU A 85 -6.635 -8.884 -9.680 1.00 0.00 C ATOM 0 H LEU A 85 -8.538 -5.439 -10.733 1.00 0.00 H new ATOM 0 HA LEU A 85 -10.009 -6.805 -8.555 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -7.073 -6.268 -8.359 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -7.976 -7.694 -7.889 1.00 0.00 H new ATOM 0 HG LEU A 85 -8.362 -7.917 -10.534 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -6.351 -7.160 -11.770 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -7.222 -5.780 -11.057 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -5.734 -6.386 -10.291 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -6.352 -9.371 -10.613 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -5.737 -8.600 -9.132 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -7.226 -9.573 -9.076 1.00 0.00 H new ATOM 1351 N LYS A 86 -9.732 -4.991 -6.842 1.00 0.00 N ATOM 1352 CA LYS A 86 -9.774 -3.840 -5.947 1.00 0.00 C ATOM 1353 C LYS A 86 -8.545 -3.820 -5.043 1.00 0.00 C ATOM 1354 O LYS A 86 -8.541 -4.427 -3.972 1.00 0.00 O ATOM 1355 CB LYS A 86 -11.042 -3.891 -5.089 1.00 0.00 C ATOM 1356 CG LYS A 86 -11.932 -5.045 -5.558 1.00 0.00 C ATOM 1357 CD LYS A 86 -13.269 -4.990 -4.818 1.00 0.00 C ATOM 1358 CE LYS A 86 -14.337 -5.720 -5.635 1.00 0.00 C ATOM 1359 NZ LYS A 86 -15.103 -6.637 -4.744 1.00 0.00 N ATOM 0 H LYS A 86 -10.177 -5.832 -6.474 1.00 0.00 H new ATOM 0 HA LYS A 86 -9.781 -2.933 -6.551 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -10.778 -4.025 -4.040 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -11.583 -2.947 -5.164 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -12.096 -4.978 -6.633 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -11.439 -5.999 -5.370 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -13.171 -5.450 -3.835 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -13.565 -3.953 -4.657 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -15.011 -5.000 -6.099 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -13.870 -6.285 -6.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -15.829 -7.134 -5.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -14.455 -7.332 -4.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -15.560 -6.086 -3.989 1.00 0.00 H new ATOM 1373 N GLY A 87 -7.503 -3.121 -5.480 1.00 0.00 N ATOM 1374 CA GLY A 87 -6.273 -3.033 -4.701 1.00 0.00 C ATOM 1375 C GLY A 87 -6.279 -1.801 -3.804 1.00 0.00 C ATOM 1376 O GLY A 87 -7.054 -0.869 -4.015 1.00 0.00 O ATOM 0 H GLY A 87 -7.485 -2.610 -6.363 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -6.160 -3.930 -4.092 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -5.415 -2.994 -5.373 1.00 0.00 H new ATOM 1380 N ILE A 88 -5.407 -1.804 -2.800 1.00 0.00 N ATOM 1381 CA ILE A 88 -5.317 -0.681 -1.874 1.00 0.00 C ATOM 1382 C ILE A 88 -3.946 -0.019 -1.969 1.00 0.00 C ATOM 1383 O ILE A 88 -2.945 -0.679 -2.250 1.00 0.00 O ATOM 1384 CB ILE A 88 -5.554 -1.165 -0.442 1.00 0.00 C ATOM 1385 CG1 ILE A 88 -6.816 -2.030 -0.400 1.00 0.00 C ATOM 1386 CG2 ILE A 88 -5.733 0.041 0.482 1.00 0.00 C ATOM 1387 CD1 ILE A 88 -7.094 -2.461 1.042 1.00 0.00 C ATOM 0 H ILE A 88 -4.757 -2.566 -2.608 1.00 0.00 H new ATOM 0 HA ILE A 88 -6.081 0.049 -2.141 1.00 0.00 H new ATOM 0 HB ILE A 88 -4.698 -1.752 -0.111 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -7.665 -1.472 -0.794 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -6.689 -2.907 -1.035 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -5.902 -0.304 1.502 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -4.836 0.659 0.452 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -6.589 0.629 0.151 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -7.993 -3.077 1.071 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -6.248 -3.036 1.419 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -7.239 -1.578 1.664 1.00 0.00 H new ATOM 1399 N VAL A 89 -3.906 1.289 -1.736 1.00 0.00 N ATOM 1400 CA VAL A 89 -2.651 2.029 -1.801 1.00 0.00 C ATOM 1401 C VAL A 89 -2.376 2.742 -0.481 1.00 0.00 C ATOM 1402 O VAL A 89 -3.148 3.602 -0.056 1.00 0.00 O ATOM 1403 CB VAL A 89 -2.708 3.055 -2.935 1.00 0.00 C ATOM 1404 CG1 VAL A 89 -1.329 3.688 -3.121 1.00 0.00 C ATOM 1405 CG2 VAL A 89 -3.128 2.357 -4.230 1.00 0.00 C ATOM 0 H VAL A 89 -4.722 1.855 -1.502 1.00 0.00 H new ATOM 0 HA VAL A 89 -1.845 1.320 -1.991 1.00 0.00 H new ATOM 0 HB VAL A 89 -3.432 3.831 -2.688 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -1.370 4.419 -3.929 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -1.029 4.184 -2.198 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -0.603 2.913 -3.369 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -3.169 3.086 -5.039 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -2.403 1.581 -4.477 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -4.111 1.906 -4.098 1.00 0.00 H new ATOM 1415 N VAL A 90 -1.270 2.381 0.160 1.00 0.00 N ATOM 1416 CA VAL A 90 -0.899 2.995 1.430 1.00 0.00 C ATOM 1417 C VAL A 90 0.322 3.890 1.253 1.00 0.00 C ATOM 1418 O VAL A 90 1.289 3.514 0.590 1.00 0.00 O ATOM 1419 CB VAL A 90 -0.593 1.911 2.465 1.00 0.00 C ATOM 1420 CG1 VAL A 90 -0.013 2.558 3.723 1.00 0.00 C ATOM 1421 CG2 VAL A 90 -1.883 1.168 2.822 1.00 0.00 C ATOM 0 H VAL A 90 -0.619 1.671 -0.176 1.00 0.00 H new ATOM 0 HA VAL A 90 -1.735 3.602 1.777 1.00 0.00 H new ATOM 0 HB VAL A 90 0.129 1.207 2.052 1.00 0.00 H new ATOM 0 HG11 VAL A 90 0.205 1.786 4.461 1.00 0.00 H new ATOM 0 HG12 VAL A 90 0.905 3.088 3.469 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -0.736 3.262 4.136 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -1.666 0.395 3.559 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -2.606 1.872 3.236 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -2.298 0.707 1.925 1.00 0.00 H new ATOM 1431 N VAL A 91 0.271 5.076 1.847 1.00 0.00 N ATOM 1432 CA VAL A 91 1.380 6.018 1.746 1.00 0.00 C ATOM 1433 C VAL A 91 1.943 6.337 3.126 1.00 0.00 C ATOM 1434 O VAL A 91 1.217 6.336 4.121 1.00 0.00 O ATOM 1435 CB VAL A 91 0.908 7.310 1.076 1.00 0.00 C ATOM 1436 CG1 VAL A 91 2.096 8.259 0.901 1.00 0.00 C ATOM 1437 CG2 VAL A 91 0.310 6.984 -0.294 1.00 0.00 C ATOM 0 H VAL A 91 -0.520 5.407 2.400 1.00 0.00 H new ATOM 0 HA VAL A 91 2.165 5.560 1.144 1.00 0.00 H new ATOM 0 HB VAL A 91 0.152 7.787 1.699 1.00 0.00 H new ATOM 0 HG11 VAL A 91 1.759 9.179 0.424 1.00 0.00 H new ATOM 0 HG12 VAL A 91 2.523 8.491 1.877 1.00 0.00 H new ATOM 0 HG13 VAL A 91 2.853 7.783 0.278 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -0.027 7.904 -0.772 1.00 0.00 H new ATOM 0 HG22 VAL A 91 1.067 6.507 -0.917 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -0.537 6.309 -0.170 1.00 0.00 H new ATOM 1447 N GLU A 92 3.242 6.614 3.178 1.00 0.00 N ATOM 1448 CA GLU A 92 3.895 6.939 4.440 1.00 0.00 C ATOM 1449 C GLU A 92 4.038 8.450 4.586 1.00 0.00 C ATOM 1450 O GLU A 92 4.456 9.136 3.653 1.00 0.00 O ATOM 1451 CB GLU A 92 5.275 6.281 4.498 1.00 0.00 C ATOM 1452 CG GLU A 92 5.734 6.177 5.954 1.00 0.00 C ATOM 1453 CD GLU A 92 7.243 5.966 6.009 1.00 0.00 C ATOM 1454 OE1 GLU A 92 7.935 6.568 5.205 1.00 0.00 O ATOM 1455 OE2 GLU A 92 7.685 5.205 6.854 1.00 0.00 O ATOM 0 H GLU A 92 3.860 6.620 2.366 1.00 0.00 H new ATOM 0 HA GLU A 92 3.282 6.561 5.259 1.00 0.00 H new ATOM 0 HB2 GLU A 92 5.235 5.289 4.047 1.00 0.00 H new ATOM 0 HB3 GLU A 92 5.992 6.865 3.921 1.00 0.00 H new ATOM 0 HG2 GLU A 92 5.465 7.084 6.495 1.00 0.00 H new ATOM 0 HG3 GLU A 92 5.224 5.349 6.447 1.00 0.00 H new ATOM 1462 N LYS A 93 3.683 8.966 5.759 1.00 0.00 N ATOM 1463 CA LYS A 93 3.772 10.400 6.006 1.00 0.00 C ATOM 1464 C LYS A 93 5.170 10.784 6.483 1.00 0.00 C ATOM 1465 O LYS A 93 5.787 10.069 7.272 1.00 0.00 O ATOM 1466 CB LYS A 93 2.741 10.814 7.057 1.00 0.00 C ATOM 1467 CG LYS A 93 1.342 10.415 6.583 1.00 0.00 C ATOM 1468 CD LYS A 93 0.307 10.856 7.620 1.00 0.00 C ATOM 1469 CE LYS A 93 -0.210 12.251 7.267 1.00 0.00 C ATOM 1470 NZ LYS A 93 -0.583 12.973 8.517 1.00 0.00 N ATOM 0 H LYS A 93 3.334 8.418 6.546 1.00 0.00 H new ATOM 0 HA LYS A 93 3.568 10.920 5.070 1.00 0.00 H new ATOM 0 HB2 LYS A 93 2.964 10.334 8.010 1.00 0.00 H new ATOM 0 HB3 LYS A 93 2.787 11.890 7.223 1.00 0.00 H new ATOM 0 HG2 LYS A 93 1.127 10.877 5.620 1.00 0.00 H new ATOM 0 HG3 LYS A 93 1.290 9.336 6.437 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -0.520 10.147 7.648 1.00 0.00 H new ATOM 0 HD3 LYS A 93 0.754 10.863 8.614 1.00 0.00 H new ATOM 0 HE2 LYS A 93 0.555 12.808 6.727 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -1.074 12.174 6.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -0.935 13.922 8.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -1.327 12.443 9.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 0.252 13.058 9.131 1.00 0.00 H new ATOM 1484 N THR A 94 5.658 11.922 5.999 1.00 0.00 N ATOM 1485 CA THR A 94 6.981 12.404 6.381 1.00 0.00 C ATOM 1486 C THR A 94 6.991 13.926 6.440 1.00 0.00 C ATOM 1487 O THR A 94 6.902 14.518 7.516 1.00 0.00 O ATOM 1488 CB THR A 94 8.026 11.921 5.373 1.00 0.00 C ATOM 1489 OG1 THR A 94 7.711 10.598 4.962 1.00 0.00 O ATOM 1490 CG2 THR A 94 9.410 11.940 6.022 1.00 0.00 C ATOM 0 H THR A 94 5.160 12.525 5.344 1.00 0.00 H new ATOM 0 HA THR A 94 7.224 12.009 7.367 1.00 0.00 H new ATOM 0 HB THR A 94 8.025 12.580 4.505 1.00 0.00 H new ATOM 0 HG1 THR A 94 8.536 10.121 4.735 1.00 0.00 H new ATOM 0 HG21 THR A 94 10.154 11.596 5.303 1.00 0.00 H new ATOM 0 HG22 THR A 94 9.651 12.956 6.335 1.00 0.00 H new ATOM 0 HG23 THR A 94 9.413 11.282 6.891 1.00 0.00 H new ATOM 1498 N ARG A 95 7.095 14.555 5.275 1.00 0.00 N ATOM 1499 CA ARG A 95 7.112 16.010 5.201 1.00 0.00 C ATOM 1500 C ARG A 95 6.317 16.489 3.991 1.00 0.00 C ATOM 1501 O ARG A 95 5.234 17.057 4.133 1.00 0.00 O ATOM 1502 CB ARG A 95 8.552 16.513 5.100 1.00 0.00 C ATOM 1503 CG ARG A 95 9.250 16.337 6.449 1.00 0.00 C ATOM 1504 CD ARG A 95 10.695 16.828 6.341 1.00 0.00 C ATOM 1505 NE ARG A 95 11.524 16.185 7.355 1.00 0.00 N ATOM 1506 CZ ARG A 95 11.423 16.518 8.638 1.00 0.00 C ATOM 1507 NH1 ARG A 95 10.567 17.429 9.012 1.00 0.00 N ATOM 1508 NH2 ARG A 95 12.179 15.931 9.525 1.00 0.00 N ATOM 0 H ARG A 95 7.168 14.083 4.374 1.00 0.00 H new ATOM 0 HA ARG A 95 6.654 16.408 6.107 1.00 0.00 H new ATOM 0 HB2 ARG A 95 9.087 15.962 4.327 1.00 0.00 H new ATOM 0 HB3 ARG A 95 8.562 17.563 4.808 1.00 0.00 H new ATOM 0 HG2 ARG A 95 8.721 16.896 7.220 1.00 0.00 H new ATOM 0 HG3 ARG A 95 9.232 15.289 6.746 1.00 0.00 H new ATOM 0 HD2 ARG A 95 11.088 16.609 5.348 1.00 0.00 H new ATOM 0 HD3 ARG A 95 10.729 17.910 6.466 1.00 0.00 H new ATOM 0 HE ARG A 95 12.193 15.468 7.075 1.00 0.00 H new ATOM 0 HH11 ARG A 95 9.974 17.887 8.320 1.00 0.00 H new ATOM 0 HH12 ARG A 95 10.491 17.683 9.997 1.00 0.00 H new ATOM 0 HH21 ARG A 95 12.847 15.217 9.234 1.00 0.00 H new ATOM 0 HH22 ARG A 95 12.102 16.186 10.510 1.00 0.00 H new ATOM 1522 N MET A 96 6.861 16.251 2.803 1.00 0.00 N ATOM 1523 CA MET A 96 6.191 16.658 1.574 1.00 0.00 C ATOM 1524 C MET A 96 4.863 15.926 1.425 1.00 0.00 C ATOM 1525 O MET A 96 4.045 16.269 0.572 1.00 0.00 O ATOM 1526 CB MET A 96 7.081 16.352 0.367 1.00 0.00 C ATOM 1527 CG MET A 96 8.481 16.919 0.605 1.00 0.00 C ATOM 1528 SD MET A 96 8.459 18.711 0.351 1.00 0.00 S ATOM 1529 CE MET A 96 9.014 19.182 2.008 1.00 0.00 C ATOM 0 H MET A 96 7.756 15.782 2.665 1.00 0.00 H new ATOM 0 HA MET A 96 6.002 17.730 1.622 1.00 0.00 H new ATOM 0 HB2 MET A 96 7.136 15.275 0.207 1.00 0.00 H new ATOM 0 HB3 MET A 96 6.650 16.787 -0.535 1.00 0.00 H new ATOM 0 HG2 MET A 96 8.811 16.689 1.618 1.00 0.00 H new ATOM 0 HG3 MET A 96 9.194 16.453 -0.076 1.00 0.00 H new ATOM 0 HE1 MET A 96 9.073 20.268 2.077 1.00 0.00 H new ATOM 0 HE2 MET A 96 8.306 18.809 2.748 1.00 0.00 H new ATOM 0 HE3 MET A 96 9.998 18.752 2.198 1.00 0.00 H new ATOM 1539 N SER A 97 4.658 14.913 2.261 1.00 0.00 N ATOM 1540 CA SER A 97 3.427 14.134 2.215 1.00 0.00 C ATOM 1541 C SER A 97 2.210 15.043 2.342 1.00 0.00 C ATOM 1542 O SER A 97 1.732 15.598 1.353 1.00 0.00 O ATOM 1543 CB SER A 97 3.418 13.106 3.346 1.00 0.00 C ATOM 1544 OG SER A 97 2.088 12.938 3.819 1.00 0.00 O ATOM 0 H SER A 97 5.324 14.614 2.974 1.00 0.00 H new ATOM 0 HA SER A 97 3.382 13.620 1.255 1.00 0.00 H new ATOM 0 HB2 SER A 97 3.813 12.154 2.991 1.00 0.00 H new ATOM 0 HB3 SER A 97 4.066 13.436 4.158 1.00 0.00 H new ATOM 0 HG SER A 97 2.106 12.698 4.769 1.00 0.00 H new ATOM 1550 N GLU A 98 1.710 15.189 3.565 1.00 0.00 N ATOM 1551 CA GLU A 98 0.545 16.031 3.813 1.00 0.00 C ATOM 1552 C GLU A 98 0.561 17.265 2.915 1.00 0.00 C ATOM 1553 O GLU A 98 -0.490 17.802 2.566 1.00 0.00 O ATOM 1554 CB GLU A 98 0.523 16.469 5.279 1.00 0.00 C ATOM 1555 CG GLU A 98 1.638 17.490 5.521 1.00 0.00 C ATOM 1556 CD GLU A 98 2.246 17.280 6.902 1.00 0.00 C ATOM 1557 OE1 GLU A 98 3.104 16.421 7.026 1.00 0.00 O ATOM 1558 OE2 GLU A 98 1.848 17.982 7.817 1.00 0.00 O ATOM 0 H GLU A 98 2.091 14.737 4.396 1.00 0.00 H new ATOM 0 HA GLU A 98 -0.349 15.449 3.588 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -0.445 16.906 5.525 1.00 0.00 H new ATOM 0 HB3 GLU A 98 0.658 15.605 5.930 1.00 0.00 H new ATOM 0 HG2 GLU A 98 2.408 17.388 4.756 1.00 0.00 H new ATOM 0 HG3 GLU A 98 1.240 18.502 5.440 1.00 0.00 H new ATOM 1565 N GLN A 99 1.758 17.714 2.550 1.00 0.00 N ATOM 1566 CA GLN A 99 1.892 18.891 1.700 1.00 0.00 C ATOM 1567 C GLN A 99 1.325 18.625 0.308 1.00 0.00 C ATOM 1568 O GLN A 99 0.462 19.359 -0.172 1.00 0.00 O ATOM 1569 CB GLN A 99 3.366 19.286 1.580 1.00 0.00 C ATOM 1570 CG GLN A 99 3.902 19.698 2.954 1.00 0.00 C ATOM 1571 CD GLN A 99 4.364 21.150 2.921 1.00 0.00 C ATOM 1572 OE1 GLN A 99 4.287 21.851 3.931 1.00 0.00 O ATOM 1573 NE2 GLN A 99 4.845 21.649 1.814 1.00 0.00 N ATOM 0 H GLN A 99 2.641 17.285 2.827 1.00 0.00 H new ATOM 0 HA GLN A 99 1.330 19.705 2.158 1.00 0.00 H new ATOM 0 HB2 GLN A 99 3.946 18.450 1.188 1.00 0.00 H new ATOM 0 HB3 GLN A 99 3.476 20.109 0.874 1.00 0.00 H new ATOM 0 HG2 GLN A 99 3.126 19.572 3.709 1.00 0.00 H new ATOM 0 HG3 GLN A 99 4.731 19.051 3.239 1.00 0.00 H new ATOM 0 HE21 GLN A 99 4.909 21.068 0.978 1.00 0.00 H new ATOM 0 HE22 GLN A 99 5.157 22.620 1.785 1.00 0.00 H new ATOM 1582 N TYR A 100 1.822 17.575 -0.338 1.00 0.00 N ATOM 1583 CA TYR A 100 1.362 17.230 -1.679 1.00 0.00 C ATOM 1584 C TYR A 100 0.703 15.854 -1.693 1.00 0.00 C ATOM 1585 O TYR A 100 0.460 15.285 -2.757 1.00 0.00 O ATOM 1586 CB TYR A 100 2.540 17.242 -2.653 1.00 0.00 C ATOM 1587 CG TYR A 100 2.120 17.908 -3.940 1.00 0.00 C ATOM 1588 CD1 TYR A 100 1.732 19.253 -3.939 1.00 0.00 C ATOM 1589 CD2 TYR A 100 2.118 17.180 -5.136 1.00 0.00 C ATOM 1590 CE1 TYR A 100 1.341 19.871 -5.133 1.00 0.00 C ATOM 1591 CE2 TYR A 100 1.727 17.798 -6.330 1.00 0.00 C ATOM 1592 CZ TYR A 100 1.340 19.143 -6.329 1.00 0.00 C ATOM 1593 OH TYR A 100 0.955 19.752 -7.506 1.00 0.00 O ATOM 0 H TYR A 100 2.537 16.953 0.041 1.00 0.00 H new ATOM 0 HA TYR A 100 0.625 17.971 -1.986 1.00 0.00 H new ATOM 0 HB2 TYR A 100 3.384 17.774 -2.214 1.00 0.00 H new ATOM 0 HB3 TYR A 100 2.874 16.223 -2.850 1.00 0.00 H new ATOM 0 HD1 TYR A 100 1.734 19.814 -3.016 1.00 0.00 H new ATOM 0 HD2 TYR A 100 2.418 16.142 -5.138 1.00 0.00 H new ATOM 0 HE1 TYR A 100 1.040 20.908 -5.131 1.00 0.00 H new ATOM 0 HE2 TYR A 100 1.724 17.236 -7.252 1.00 0.00 H new ATOM 0 HH TYR A 100 1.013 19.107 -8.242 1.00 0.00 H new ATOM 1603 N PHE A 101 0.415 15.324 -0.508 1.00 0.00 N ATOM 1604 CA PHE A 101 -0.216 14.015 -0.408 1.00 0.00 C ATOM 1605 C PHE A 101 -1.653 14.051 -0.931 1.00 0.00 C ATOM 1606 O PHE A 101 -2.110 13.094 -1.556 1.00 0.00 O ATOM 1607 CB PHE A 101 -0.211 13.530 1.044 1.00 0.00 C ATOM 1608 CG PHE A 101 -1.254 12.451 1.211 1.00 0.00 C ATOM 1609 CD1 PHE A 101 -0.967 11.136 0.825 1.00 0.00 C ATOM 1610 CD2 PHE A 101 -2.510 12.765 1.744 1.00 0.00 C ATOM 1611 CE1 PHE A 101 -1.935 10.135 0.974 1.00 0.00 C ATOM 1612 CE2 PHE A 101 -3.478 11.765 1.893 1.00 0.00 C ATOM 1613 CZ PHE A 101 -3.191 10.450 1.508 1.00 0.00 C ATOM 0 H PHE A 101 0.606 15.776 0.386 1.00 0.00 H new ATOM 0 HA PHE A 101 0.359 13.323 -1.023 1.00 0.00 H new ATOM 0 HB2 PHE A 101 0.774 13.144 1.308 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -0.419 14.361 1.718 1.00 0.00 H new ATOM 0 HD1 PHE A 101 0.001 10.894 0.412 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -2.732 13.780 2.040 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -1.713 9.121 0.677 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -4.446 12.008 2.305 1.00 0.00 H new ATOM 0 HZ PHE A 101 -3.938 9.678 1.623 1.00 0.00 H new ATOM 1623 N PRO A 102 -2.377 15.121 -0.690 1.00 0.00 N ATOM 1624 CA PRO A 102 -3.785 15.242 -1.154 1.00 0.00 C ATOM 1625 C PRO A 102 -3.869 15.592 -2.636 1.00 0.00 C ATOM 1626 O PRO A 102 -4.809 15.198 -3.325 1.00 0.00 O ATOM 1627 CB PRO A 102 -4.363 16.359 -0.285 1.00 0.00 C ATOM 1628 CG PRO A 102 -3.199 17.196 0.135 1.00 0.00 C ATOM 1629 CD PRO A 102 -1.941 16.326 0.037 1.00 0.00 C ATOM 0 HA PRO A 102 -4.333 14.305 -1.057 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -5.089 16.951 -0.842 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -4.883 15.950 0.581 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -3.108 18.074 -0.505 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -3.336 17.558 1.154 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -1.142 16.843 -0.495 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -1.555 16.075 1.025 1.00 0.00 H new ATOM 1637 N ALA A 103 -2.875 16.328 -3.122 1.00 0.00 N ATOM 1638 CA ALA A 103 -2.845 16.715 -4.526 1.00 0.00 C ATOM 1639 C ALA A 103 -2.719 15.477 -5.404 1.00 0.00 C ATOM 1640 O ALA A 103 -3.353 15.380 -6.455 1.00 0.00 O ATOM 1641 CB ALA A 103 -1.665 17.652 -4.788 1.00 0.00 C ATOM 0 H ALA A 103 -2.087 16.665 -2.570 1.00 0.00 H new ATOM 0 HA ALA A 103 -3.773 17.234 -4.766 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -1.652 17.935 -5.841 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -1.767 18.546 -4.173 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -0.734 17.143 -4.538 1.00 0.00 H new ATOM 1647 N LEU A 104 -1.901 14.530 -4.959 1.00 0.00 N ATOM 1648 CA LEU A 104 -1.700 13.294 -5.704 1.00 0.00 C ATOM 1649 C LEU A 104 -2.929 12.401 -5.576 1.00 0.00 C ATOM 1650 O LEU A 104 -3.418 11.854 -6.564 1.00 0.00 O ATOM 1651 CB LEU A 104 -0.469 12.558 -5.171 1.00 0.00 C ATOM 1652 CG LEU A 104 0.084 11.620 -6.248 1.00 0.00 C ATOM 1653 CD1 LEU A 104 1.542 11.285 -5.930 1.00 0.00 C ATOM 1654 CD2 LEU A 104 -0.741 10.332 -6.272 1.00 0.00 C ATOM 0 H LEU A 104 -1.369 14.594 -4.091 1.00 0.00 H new ATOM 0 HA LEU A 104 -1.545 13.537 -6.755 1.00 0.00 H new ATOM 0 HB2 LEU A 104 0.295 13.277 -4.875 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -0.733 11.988 -4.280 1.00 0.00 H new ATOM 0 HG LEU A 104 0.026 12.107 -7.221 1.00 0.00 H new ATOM 0 HD11 LEU A 104 1.937 10.617 -6.696 1.00 0.00 H new ATOM 0 HD12 LEU A 104 2.130 12.203 -5.910 1.00 0.00 H new ATOM 0 HD13 LEU A 104 1.599 10.796 -4.958 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -0.349 9.663 -7.038 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -0.682 9.844 -5.299 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -1.781 10.570 -6.496 1.00 0.00 H new ATOM 1666 N GLN A 105 -3.430 12.266 -4.351 1.00 0.00 N ATOM 1667 CA GLN A 105 -4.609 11.446 -4.107 1.00 0.00 C ATOM 1668 C GLN A 105 -5.755 11.900 -5.004 1.00 0.00 C ATOM 1669 O GLN A 105 -6.558 11.088 -5.464 1.00 0.00 O ATOM 1670 CB GLN A 105 -5.030 11.554 -2.640 1.00 0.00 C ATOM 1671 CG GLN A 105 -6.438 10.982 -2.468 1.00 0.00 C ATOM 1672 CD GLN A 105 -6.604 10.425 -1.058 1.00 0.00 C ATOM 1673 OE1 GLN A 105 -6.985 9.267 -0.888 1.00 0.00 O ATOM 1674 NE2 GLN A 105 -6.342 11.185 -0.030 1.00 0.00 N ATOM 0 H GLN A 105 -3.041 12.710 -3.519 1.00 0.00 H new ATOM 0 HA GLN A 105 -4.366 10.408 -4.333 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -4.326 11.012 -2.008 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -5.008 12.596 -2.320 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -7.180 11.759 -2.651 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -6.612 10.195 -3.202 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -6.026 12.144 -0.172 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -6.453 10.820 0.916 1.00 0.00 H new ATOM 1683 N LYS A 106 -5.817 13.203 -5.252 1.00 0.00 N ATOM 1684 CA LYS A 106 -6.860 13.761 -6.102 1.00 0.00 C ATOM 1685 C LYS A 106 -6.734 13.211 -7.518 1.00 0.00 C ATOM 1686 O LYS A 106 -7.735 12.954 -8.188 1.00 0.00 O ATOM 1687 CB LYS A 106 -6.750 15.287 -6.129 1.00 0.00 C ATOM 1688 CG LYS A 106 -7.817 15.862 -7.063 1.00 0.00 C ATOM 1689 CD LYS A 106 -9.203 15.626 -6.461 1.00 0.00 C ATOM 1690 CE LYS A 106 -10.205 16.604 -7.080 1.00 0.00 C ATOM 1691 NZ LYS A 106 -11.355 15.844 -7.644 1.00 0.00 N ATOM 0 H LYS A 106 -5.161 13.889 -4.879 1.00 0.00 H new ATOM 0 HA LYS A 106 -7.832 13.478 -5.697 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -6.877 15.689 -5.124 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -5.757 15.584 -6.468 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -7.650 16.929 -7.210 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -7.750 15.390 -8.043 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -9.520 14.600 -6.645 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -9.169 15.760 -5.380 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -10.555 17.309 -6.326 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -9.723 17.189 -7.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -12.037 16.507 -8.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -11.013 15.189 -8.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -11.820 15.305 -6.886 1.00 0.00 H new ATOM 1705 N PHE A 107 -5.496 13.027 -7.962 1.00 0.00 N ATOM 1706 CA PHE A 107 -5.243 12.499 -9.298 1.00 0.00 C ATOM 1707 C PHE A 107 -5.417 10.986 -9.307 1.00 0.00 C ATOM 1708 O PHE A 107 -6.170 10.441 -10.115 1.00 0.00 O ATOM 1709 CB PHE A 107 -3.821 12.851 -9.738 1.00 0.00 C ATOM 1710 CG PHE A 107 -3.865 14.011 -10.704 1.00 0.00 C ATOM 1711 CD1 PHE A 107 -4.359 15.253 -10.285 1.00 0.00 C ATOM 1712 CD2 PHE A 107 -3.411 13.845 -12.017 1.00 0.00 C ATOM 1713 CE1 PHE A 107 -4.398 16.328 -11.180 1.00 0.00 C ATOM 1714 CE2 PHE A 107 -3.451 14.919 -12.913 1.00 0.00 C ATOM 1715 CZ PHE A 107 -3.944 16.162 -12.495 1.00 0.00 C ATOM 0 H PHE A 107 -4.657 13.234 -7.421 1.00 0.00 H new ATOM 0 HA PHE A 107 -5.957 12.945 -9.990 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -3.214 13.109 -8.870 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -3.351 11.988 -10.210 1.00 0.00 H new ATOM 0 HD1 PHE A 107 -4.710 15.381 -9.272 1.00 0.00 H new ATOM 0 HD2 PHE A 107 -3.029 12.887 -12.339 1.00 0.00 H new ATOM 0 HE1 PHE A 107 -4.778 17.286 -10.857 1.00 0.00 H new ATOM 0 HE2 PHE A 107 -3.102 14.790 -13.927 1.00 0.00 H new ATOM 0 HZ PHE A 107 -3.974 16.992 -13.186 1.00 0.00 H new ATOM 1725 N THR A 108 -4.719 10.314 -8.398 1.00 0.00 N ATOM 1726 CA THR A 108 -4.804 8.863 -8.302 1.00 0.00 C ATOM 1727 C THR A 108 -6.260 8.423 -8.208 1.00 0.00 C ATOM 1728 O THR A 108 -6.646 7.389 -8.754 1.00 0.00 O ATOM 1729 CB THR A 108 -4.039 8.377 -7.068 1.00 0.00 C ATOM 1730 OG1 THR A 108 -2.646 8.571 -7.268 1.00 0.00 O ATOM 1731 CG2 THR A 108 -4.323 6.892 -6.840 1.00 0.00 C ATOM 0 H THR A 108 -4.092 10.749 -7.721 1.00 0.00 H new ATOM 0 HA THR A 108 -4.360 8.428 -9.197 1.00 0.00 H new ATOM 0 HB THR A 108 -4.362 8.943 -6.195 1.00 0.00 H new ATOM 0 HG1 THR A 108 -2.144 7.994 -6.655 1.00 0.00 H new ATOM 0 HG21 THR A 108 -3.778 6.548 -5.961 1.00 0.00 H new ATOM 0 HG22 THR A 108 -5.392 6.746 -6.684 1.00 0.00 H new ATOM 0 HG23 THR A 108 -4.002 6.322 -7.712 1.00 0.00 H new ATOM 1739 N VAL A 109 -7.065 9.219 -7.512 1.00 0.00 N ATOM 1740 CA VAL A 109 -8.481 8.910 -7.348 1.00 0.00 C ATOM 1741 C VAL A 109 -9.203 8.983 -8.691 1.00 0.00 C ATOM 1742 O VAL A 109 -9.780 8.000 -9.151 1.00 0.00 O ATOM 1743 CB VAL A 109 -9.115 9.897 -6.368 1.00 0.00 C ATOM 1744 CG1 VAL A 109 -10.633 9.913 -6.563 1.00 0.00 C ATOM 1745 CG2 VAL A 109 -8.789 9.469 -4.935 1.00 0.00 C ATOM 0 H VAL A 109 -6.763 10.079 -7.054 1.00 0.00 H new ATOM 0 HA VAL A 109 -8.574 7.897 -6.955 1.00 0.00 H new ATOM 0 HB VAL A 109 -8.718 10.895 -6.551 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -11.082 10.617 -5.863 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -10.866 10.217 -7.584 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -11.034 8.916 -6.381 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -9.240 10.171 -4.234 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -9.186 8.470 -4.754 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -7.708 9.460 -4.795 1.00 0.00 H new ATOM 1755 N LEU A 110 -9.166 10.155 -9.314 1.00 0.00 N ATOM 1756 CA LEU A 110 -9.823 10.342 -10.602 1.00 0.00 C ATOM 1757 C LEU A 110 -9.128 9.517 -11.681 1.00 0.00 C ATOM 1758 O LEU A 110 -9.721 9.199 -12.712 1.00 0.00 O ATOM 1759 CB LEU A 110 -9.799 11.821 -10.992 1.00 0.00 C ATOM 1760 CG LEU A 110 -11.035 12.148 -11.832 1.00 0.00 C ATOM 1761 CD1 LEU A 110 -11.123 13.660 -12.041 1.00 0.00 C ATOM 1762 CD2 LEU A 110 -10.929 11.452 -13.190 1.00 0.00 C ATOM 0 H LEU A 110 -8.693 10.983 -8.952 1.00 0.00 H new ATOM 0 HA LEU A 110 -10.857 10.008 -10.514 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -9.779 12.444 -10.097 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -8.893 12.045 -11.556 1.00 0.00 H new ATOM 0 HG LEU A 110 -11.928 11.799 -11.314 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -12.003 13.894 -12.639 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -11.199 14.157 -11.074 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -10.229 14.008 -12.559 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -11.810 11.685 -13.788 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -10.036 11.800 -13.709 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -10.866 10.374 -13.042 1.00 0.00 H new ATOM 1774 N ASP A 111 -7.866 9.180 -11.438 1.00 0.00 N ATOM 1775 CA ASP A 111 -7.096 8.397 -12.396 1.00 0.00 C ATOM 1776 C ASP A 111 -7.357 6.905 -12.211 1.00 0.00 C ATOM 1777 O ASP A 111 -7.736 6.210 -13.154 1.00 0.00 O ATOM 1778 CB ASP A 111 -5.604 8.681 -12.221 1.00 0.00 C ATOM 1779 CG ASP A 111 -5.261 10.045 -12.811 1.00 0.00 C ATOM 1780 OD1 ASP A 111 -6.028 10.970 -12.596 1.00 0.00 O ATOM 1781 OD2 ASP A 111 -4.238 10.145 -13.467 1.00 0.00 O ATOM 0 H ASP A 111 -7.358 9.435 -10.591 1.00 0.00 H new ATOM 0 HA ASP A 111 -7.407 8.684 -13.401 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -5.342 8.657 -11.163 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -5.017 7.905 -12.712 1.00 0.00 H new ATOM 1786 N LEU A 112 -7.141 6.417 -10.994 1.00 0.00 N ATOM 1787 CA LEU A 112 -7.348 5.002 -10.704 1.00 0.00 C ATOM 1788 C LEU A 112 -8.619 4.792 -9.884 1.00 0.00 C ATOM 1789 O LEU A 112 -9.250 3.737 -9.964 1.00 0.00 O ATOM 1790 CB LEU A 112 -6.147 4.447 -9.936 1.00 0.00 C ATOM 1791 CG LEU A 112 -5.168 3.803 -10.917 1.00 0.00 C ATOM 1792 CD1 LEU A 112 -4.706 4.843 -11.939 1.00 0.00 C ATOM 1793 CD2 LEU A 112 -3.957 3.270 -10.150 1.00 0.00 C ATOM 0 H LEU A 112 -6.826 6.974 -10.199 1.00 0.00 H new ATOM 0 HA LEU A 112 -7.455 4.473 -11.651 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -5.653 5.247 -9.385 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -6.479 3.713 -9.202 1.00 0.00 H new ATOM 0 HG LEU A 112 -5.663 2.982 -11.436 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -4.008 4.382 -12.638 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -5.568 5.224 -12.486 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -4.212 5.666 -11.423 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -3.258 2.810 -10.848 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -3.464 4.092 -9.631 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -4.285 2.527 -9.423 1.00 0.00 H new ATOM 1805 N GLY A 113 -8.988 5.795 -9.096 1.00 0.00 N ATOM 1806 CA GLY A 113 -10.184 5.699 -8.267 1.00 0.00 C ATOM 1807 C GLY A 113 -10.189 4.397 -7.474 1.00 0.00 C ATOM 1808 O GLY A 113 -11.178 3.664 -7.470 1.00 0.00 O ATOM 0 H GLY A 113 -8.482 6.677 -9.013 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -10.227 6.547 -7.583 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -11.073 5.751 -8.896 1.00 0.00 H new ATOM 1812 N MET A 114 -9.078 4.120 -6.800 1.00 0.00 N ATOM 1813 CA MET A 114 -8.963 2.904 -6.003 1.00 0.00 C ATOM 1814 C MET A 114 -9.055 3.233 -4.516 1.00 0.00 C ATOM 1815 O MET A 114 -9.457 4.333 -4.138 1.00 0.00 O ATOM 1816 CB MET A 114 -7.627 2.212 -6.296 1.00 0.00 C ATOM 1817 CG MET A 114 -7.884 0.834 -6.909 1.00 0.00 C ATOM 1818 SD MET A 114 -6.331 -0.094 -6.980 1.00 0.00 S ATOM 1819 CE MET A 114 -6.073 0.031 -8.766 1.00 0.00 C ATOM 0 H MET A 114 -8.250 4.716 -6.789 1.00 0.00 H new ATOM 0 HA MET A 114 -9.782 2.235 -6.268 1.00 0.00 H new ATOM 0 HB2 MET A 114 -7.034 2.820 -6.979 1.00 0.00 H new ATOM 0 HB3 MET A 114 -7.050 2.110 -5.377 1.00 0.00 H new ATOM 0 HG2 MET A 114 -8.618 0.291 -6.314 1.00 0.00 H new ATOM 0 HG3 MET A 114 -8.302 0.942 -7.910 1.00 0.00 H new ATOM 0 HE1 MET A 114 -5.045 -0.240 -9.005 1.00 0.00 H new ATOM 0 HE2 MET A 114 -6.755 -0.646 -9.280 1.00 0.00 H new ATOM 0 HE3 MET A 114 -6.264 1.054 -9.090 1.00 0.00 H new ATOM 1829 N VAL A 115 -8.677 2.274 -3.679 1.00 0.00 N ATOM 1830 CA VAL A 115 -8.719 2.474 -2.235 1.00 0.00 C ATOM 1831 C VAL A 115 -7.393 3.038 -1.734 1.00 0.00 C ATOM 1832 O VAL A 115 -6.373 2.350 -1.739 1.00 0.00 O ATOM 1833 CB VAL A 115 -9.012 1.148 -1.531 1.00 0.00 C ATOM 1834 CG1 VAL A 115 -9.163 1.388 -0.028 1.00 0.00 C ATOM 1835 CG2 VAL A 115 -10.309 0.555 -2.084 1.00 0.00 C ATOM 0 H VAL A 115 -8.340 1.357 -3.972 1.00 0.00 H new ATOM 0 HA VAL A 115 -9.512 3.186 -2.009 1.00 0.00 H new ATOM 0 HB VAL A 115 -8.189 0.455 -1.706 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -9.372 0.442 0.472 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -8.240 1.812 0.367 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -9.985 2.081 0.149 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -10.519 -0.390 -1.583 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -11.131 1.249 -1.908 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -10.203 0.382 -3.155 1.00 0.00 H new ATOM 1845 N LEU A 116 -7.416 4.297 -1.306 1.00 0.00 N ATOM 1846 CA LEU A 116 -6.209 4.947 -0.806 1.00 0.00 C ATOM 1847 C LEU A 116 -6.317 5.193 0.696 1.00 0.00 C ATOM 1848 O LEU A 116 -7.280 5.797 1.168 1.00 0.00 O ATOM 1849 CB LEU A 116 -5.998 6.278 -1.531 1.00 0.00 C ATOM 1850 CG LEU A 116 -4.512 6.647 -1.518 1.00 0.00 C ATOM 1851 CD1 LEU A 116 -4.238 7.701 -2.592 1.00 0.00 C ATOM 1852 CD2 LEU A 116 -4.139 7.208 -0.144 1.00 0.00 C ATOM 0 H LEU A 116 -8.250 4.884 -1.295 1.00 0.00 H new ATOM 0 HA LEU A 116 -5.358 4.292 -0.994 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -6.354 6.203 -2.558 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -6.581 7.062 -1.048 1.00 0.00 H new ATOM 0 HG LEU A 116 -3.915 5.758 -1.722 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -3.180 7.964 -2.583 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -4.504 7.301 -3.570 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -4.834 8.591 -2.389 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -3.081 7.471 -0.133 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -4.736 8.097 0.060 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -4.334 6.456 0.621 1.00 0.00 H new ATOM 1864 N LEU A 117 -5.324 4.718 1.443 1.00 0.00 N ATOM 1865 CA LEU A 117 -5.322 4.891 2.892 1.00 0.00 C ATOM 1866 C LEU A 117 -3.893 5.064 3.414 1.00 0.00 C ATOM 1867 O LEU A 117 -3.122 4.106 3.447 1.00 0.00 O ATOM 1868 CB LEU A 117 -5.959 3.670 3.559 1.00 0.00 C ATOM 1869 CG LEU A 117 -6.738 4.113 4.797 1.00 0.00 C ATOM 1870 CD1 LEU A 117 -7.990 4.882 4.367 1.00 0.00 C ATOM 1871 CD2 LEU A 117 -7.149 2.881 5.607 1.00 0.00 C ATOM 0 H LEU A 117 -4.518 4.215 1.073 1.00 0.00 H new ATOM 0 HA LEU A 117 -5.896 5.786 3.133 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -6.625 3.166 2.859 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -5.188 2.952 3.839 1.00 0.00 H new ATOM 0 HG LEU A 117 -6.109 4.759 5.410 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -8.545 5.197 5.251 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -7.698 5.759 3.790 1.00 0.00 H new ATOM 0 HD13 LEU A 117 -8.620 4.238 3.754 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -7.705 3.195 6.490 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -7.777 2.235 4.994 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -6.258 2.334 5.915 1.00 0.00 H new ATOM 1883 N PRO A 118 -3.527 6.257 3.820 1.00 0.00 N ATOM 1884 CA PRO A 118 -2.161 6.537 4.346 1.00 0.00 C ATOM 1885 C PRO A 118 -1.995 6.078 5.792 1.00 0.00 C ATOM 1886 O PRO A 118 -2.968 5.721 6.456 1.00 0.00 O ATOM 1887 CB PRO A 118 -2.044 8.056 4.239 1.00 0.00 C ATOM 1888 CG PRO A 118 -3.442 8.567 4.360 1.00 0.00 C ATOM 1889 CD PRO A 118 -4.366 7.469 3.823 1.00 0.00 C ATOM 0 HA PRO A 118 -1.389 6.003 3.792 1.00 0.00 H new ATOM 0 HB2 PRO A 118 -1.408 8.458 5.028 1.00 0.00 H new ATOM 0 HB3 PRO A 118 -1.598 8.350 3.289 1.00 0.00 H new ATOM 0 HG2 PRO A 118 -3.680 8.798 5.398 1.00 0.00 H new ATOM 0 HG3 PRO A 118 -3.567 9.489 3.792 1.00 0.00 H new ATOM 0 HD2 PRO A 118 -5.244 7.343 4.456 1.00 0.00 H new ATOM 0 HD3 PRO A 118 -4.726 7.706 2.822 1.00 0.00 H new ATOM 1897 N VAL A 119 -0.756 6.090 6.273 1.00 0.00 N ATOM 1898 CA VAL A 119 -0.475 5.673 7.642 1.00 0.00 C ATOM 1899 C VAL A 119 0.417 6.694 8.341 1.00 0.00 C ATOM 1900 O VAL A 119 0.038 7.854 8.506 1.00 0.00 O ATOM 1901 CB VAL A 119 0.215 4.308 7.641 1.00 0.00 C ATOM 1902 CG1 VAL A 119 -0.764 3.239 7.155 1.00 0.00 C ATOM 1903 CG2 VAL A 119 1.427 4.353 6.706 1.00 0.00 C ATOM 0 H VAL A 119 0.063 6.381 5.740 1.00 0.00 H new ATOM 0 HA VAL A 119 -1.420 5.603 8.181 1.00 0.00 H new ATOM 0 HB VAL A 119 0.542 4.065 8.652 1.00 0.00 H new ATOM 0 HG11 VAL A 119 -0.271 2.267 7.155 1.00 0.00 H new ATOM 0 HG12 VAL A 119 -1.628 3.208 7.819 1.00 0.00 H new ATOM 0 HG13 VAL A 119 -1.093 3.479 6.144 1.00 0.00 H new ATOM 0 HG21 VAL A 119 1.921 3.381 6.703 1.00 0.00 H new ATOM 0 HG22 VAL A 119 1.098 4.596 5.696 1.00 0.00 H new ATOM 0 HG23 VAL A 119 2.126 5.114 7.053 1.00 0.00 H new ATOM 1913 N ALA A 120 1.603 6.255 8.749 1.00 0.00 N ATOM 1914 CA ALA A 120 2.541 7.139 9.431 1.00 0.00 C ATOM 1915 C ALA A 120 3.921 6.496 9.510 1.00 0.00 C ATOM 1916 O ALA A 120 4.940 7.160 9.321 1.00 0.00 O ATOM 1917 CB ALA A 120 2.035 7.446 10.841 1.00 0.00 C ATOM 0 H ALA A 120 1.936 5.299 8.621 1.00 0.00 H new ATOM 0 HA ALA A 120 2.618 8.066 8.864 1.00 0.00 H new ATOM 0 HB1 ALA A 120 2.740 8.107 11.345 1.00 0.00 H new ATOM 0 HB2 ALA A 120 1.062 7.933 10.780 1.00 0.00 H new ATOM 0 HB3 ALA A 120 1.942 6.518 11.404 1.00 0.00 H new ATOM 1923 N SER A 121 3.945 5.198 9.789 1.00 0.00 N ATOM 1924 CA SER A 121 5.205 4.471 9.890 1.00 0.00 C ATOM 1925 C SER A 121 5.105 3.131 9.168 1.00 0.00 C ATOM 1926 O SER A 121 4.013 2.589 8.995 1.00 0.00 O ATOM 1927 CB SER A 121 5.556 4.236 11.360 1.00 0.00 C ATOM 1928 OG SER A 121 5.292 5.419 12.101 1.00 0.00 O ATOM 0 H SER A 121 3.113 4.630 9.948 1.00 0.00 H new ATOM 0 HA SER A 121 5.988 5.068 9.422 1.00 0.00 H new ATOM 0 HB2 SER A 121 4.971 3.406 11.757 1.00 0.00 H new ATOM 0 HB3 SER A 121 6.606 3.960 11.455 1.00 0.00 H new ATOM 0 HG SER A 121 5.515 5.271 13.044 1.00 0.00 H new ATOM 1934 N GLN A 122 6.249 2.603 8.747 1.00 0.00 N ATOM 1935 CA GLN A 122 6.273 1.326 8.043 1.00 0.00 C ATOM 1936 C GLN A 122 5.693 0.221 8.919 1.00 0.00 C ATOM 1937 O GLN A 122 5.269 -0.821 8.422 1.00 0.00 O ATOM 1938 CB GLN A 122 7.711 0.971 7.654 1.00 0.00 C ATOM 1939 CG GLN A 122 7.701 -0.154 6.615 1.00 0.00 C ATOM 1940 CD GLN A 122 8.932 -0.049 5.721 1.00 0.00 C ATOM 1941 OE1 GLN A 122 9.873 -0.829 5.865 1.00 0.00 O ATOM 1942 NE2 GLN A 122 8.982 0.876 4.801 1.00 0.00 N ATOM 0 H GLN A 122 7.164 3.034 8.879 1.00 0.00 H new ATOM 0 HA GLN A 122 5.665 1.417 7.143 1.00 0.00 H new ATOM 0 HB2 GLN A 122 8.216 1.848 7.250 1.00 0.00 H new ATOM 0 HB3 GLN A 122 8.270 0.660 8.536 1.00 0.00 H new ATOM 0 HG2 GLN A 122 7.686 -1.122 7.115 1.00 0.00 H new ATOM 0 HG3 GLN A 122 6.796 -0.094 6.010 1.00 0.00 H new ATOM 0 HE21 GLN A 122 8.201 1.521 4.684 1.00 0.00 H new ATOM 0 HE22 GLN A 122 9.802 0.953 4.200 1.00 0.00 H new ATOM 1951 N MET A 123 5.677 0.459 10.227 1.00 0.00 N ATOM 1952 CA MET A 123 5.144 -0.523 11.165 1.00 0.00 C ATOM 1953 C MET A 123 3.619 -0.492 11.165 1.00 0.00 C ATOM 1954 O MET A 123 2.967 -1.518 11.354 1.00 0.00 O ATOM 1955 CB MET A 123 5.663 -0.231 12.575 1.00 0.00 C ATOM 1956 CG MET A 123 7.192 -0.173 12.555 1.00 0.00 C ATOM 1957 SD MET A 123 7.728 1.326 11.695 1.00 0.00 S ATOM 1958 CE MET A 123 9.294 1.544 12.576 1.00 0.00 C ATOM 0 H MET A 123 6.024 1.316 10.659 1.00 0.00 H new ATOM 0 HA MET A 123 5.475 -1.514 10.853 1.00 0.00 H new ATOM 0 HB2 MET A 123 5.257 0.715 12.935 1.00 0.00 H new ATOM 0 HB3 MET A 123 5.327 -1.005 13.265 1.00 0.00 H new ATOM 0 HG2 MET A 123 7.580 -0.179 13.574 1.00 0.00 H new ATOM 0 HG3 MET A 123 7.593 -1.055 12.056 1.00 0.00 H new ATOM 0 HE1 MET A 123 9.804 2.430 12.198 1.00 0.00 H new ATOM 0 HE2 MET A 123 9.098 1.665 13.641 1.00 0.00 H new ATOM 0 HE3 MET A 123 9.924 0.669 12.420 1.00 0.00 H new ATOM 1968 N GLU A 124 3.059 0.694 10.951 1.00 0.00 N ATOM 1969 CA GLU A 124 1.608 0.852 10.927 1.00 0.00 C ATOM 1970 C GLU A 124 0.976 -0.111 9.928 1.00 0.00 C ATOM 1971 O GLU A 124 0.096 -0.895 10.280 1.00 0.00 O ATOM 1972 CB GLU A 124 1.248 2.290 10.550 1.00 0.00 C ATOM 1973 CG GLU A 124 1.335 3.182 11.791 1.00 0.00 C ATOM 1974 CD GLU A 124 -0.066 3.553 12.266 1.00 0.00 C ATOM 1975 OE1 GLU A 124 -0.720 4.320 11.579 1.00 0.00 O ATOM 1976 OE2 GLU A 124 -0.464 3.064 13.311 1.00 0.00 O ATOM 0 H GLU A 124 3.583 1.555 10.793 1.00 0.00 H new ATOM 0 HA GLU A 124 1.222 0.627 11.921 1.00 0.00 H new ATOM 0 HB2 GLU A 124 1.926 2.655 9.779 1.00 0.00 H new ATOM 0 HB3 GLU A 124 0.242 2.326 10.133 1.00 0.00 H new ATOM 0 HG2 GLU A 124 1.872 2.663 12.585 1.00 0.00 H new ATOM 0 HG3 GLU A 124 1.901 4.085 11.561 1.00 0.00 H new ATOM 1983 N ALA A 125 1.434 -0.044 8.682 1.00 0.00 N ATOM 1984 CA ALA A 125 0.913 -0.913 7.633 1.00 0.00 C ATOM 1985 C ALA A 125 0.951 -2.365 8.085 1.00 0.00 C ATOM 1986 O ALA A 125 -0.078 -3.033 8.141 1.00 0.00 O ATOM 1987 CB ALA A 125 1.741 -0.747 6.357 1.00 0.00 C ATOM 0 H ALA A 125 2.162 0.601 8.375 1.00 0.00 H new ATOM 0 HA ALA A 125 -0.120 -0.633 7.429 1.00 0.00 H new ATOM 0 HB1 ALA A 125 1.345 -1.400 5.579 1.00 0.00 H new ATOM 0 HB2 ALA A 125 1.690 0.289 6.022 1.00 0.00 H new ATOM 0 HB3 ALA A 125 2.779 -1.012 6.560 1.00 0.00 H new ATOM 1993 N SER A 126 2.142 -2.846 8.426 1.00 0.00 N ATOM 1994 CA SER A 126 2.280 -4.219 8.889 1.00 0.00 C ATOM 1995 C SER A 126 1.237 -4.492 9.964 1.00 0.00 C ATOM 1996 O SER A 126 0.716 -5.600 10.077 1.00 0.00 O ATOM 1997 CB SER A 126 3.681 -4.448 9.457 1.00 0.00 C ATOM 1998 OG SER A 126 3.973 -5.838 9.437 1.00 0.00 O ATOM 0 H SER A 126 3.012 -2.314 8.391 1.00 0.00 H new ATOM 0 HA SER A 126 2.129 -4.898 8.050 1.00 0.00 H new ATOM 0 HB2 SER A 126 4.418 -3.901 8.869 1.00 0.00 H new ATOM 0 HB3 SER A 126 3.740 -4.067 10.476 1.00 0.00 H new ATOM 0 HG SER A 126 3.155 -6.347 9.615 1.00 0.00 H new ATOM 2004 N CYS A 127 0.932 -3.457 10.740 1.00 0.00 N ATOM 2005 CA CYS A 127 -0.062 -3.570 11.797 1.00 0.00 C ATOM 2006 C CYS A 127 -1.455 -3.338 11.225 1.00 0.00 C ATOM 2007 O CYS A 127 -2.438 -3.892 11.717 1.00 0.00 O ATOM 2008 CB CYS A 127 0.223 -2.545 12.898 1.00 0.00 C ATOM 2009 SG CYS A 127 0.300 -3.386 14.498 1.00 0.00 S ATOM 0 H CYS A 127 1.358 -2.534 10.656 1.00 0.00 H new ATOM 0 HA CYS A 127 -0.012 -4.572 12.223 1.00 0.00 H new ATOM 0 HB2 CYS A 127 1.164 -2.033 12.698 1.00 0.00 H new ATOM 0 HB3 CYS A 127 -0.557 -1.784 12.912 1.00 0.00 H new ATOM 0 HG CYS A 127 0.544 -2.517 15.434 1.00 0.00 H new ATOM 2015 N LEU A 128 -1.532 -2.519 10.177 1.00 0.00 N ATOM 2016 CA LEU A 128 -2.815 -2.231 9.545 1.00 0.00 C ATOM 2017 C LEU A 128 -3.273 -3.429 8.721 1.00 0.00 C ATOM 2018 O LEU A 128 -4.410 -3.886 8.846 1.00 0.00 O ATOM 2019 CB LEU A 128 -2.689 -1.001 8.645 1.00 0.00 C ATOM 2020 CG LEU A 128 -3.856 -0.048 8.909 1.00 0.00 C ATOM 2021 CD1 LEU A 128 -3.658 1.240 8.104 1.00 0.00 C ATOM 2022 CD2 LEU A 128 -5.167 -0.718 8.488 1.00 0.00 C ATOM 0 H LEU A 128 -0.732 -2.049 9.753 1.00 0.00 H new ATOM 0 HA LEU A 128 -3.553 -2.031 10.322 1.00 0.00 H new ATOM 0 HB2 LEU A 128 -1.743 -0.494 8.835 1.00 0.00 H new ATOM 0 HB3 LEU A 128 -2.684 -1.304 7.598 1.00 0.00 H new ATOM 0 HG LEU A 128 -3.895 0.192 9.972 1.00 0.00 H new ATOM 0 HD11 LEU A 128 -4.490 1.918 8.293 1.00 0.00 H new ATOM 0 HD12 LEU A 128 -2.725 1.717 8.405 1.00 0.00 H new ATOM 0 HD13 LEU A 128 -3.618 1.002 7.041 1.00 0.00 H new ATOM 0 HD21 LEU A 128 -5.999 -0.039 8.676 1.00 0.00 H new ATOM 0 HD22 LEU A 128 -5.128 -0.959 7.426 1.00 0.00 H new ATOM 0 HD23 LEU A 128 -5.309 -1.633 9.062 1.00 0.00 H new ATOM 2034 N VAL A 129 -2.375 -3.935 7.882 1.00 0.00 N ATOM 2035 CA VAL A 129 -2.686 -5.085 7.044 1.00 0.00 C ATOM 2036 C VAL A 129 -3.076 -6.278 7.908 1.00 0.00 C ATOM 2037 O VAL A 129 -4.150 -6.856 7.740 1.00 0.00 O ATOM 2038 CB VAL A 129 -1.470 -5.449 6.190 1.00 0.00 C ATOM 2039 CG1 VAL A 129 -1.667 -6.839 5.584 1.00 0.00 C ATOM 2040 CG2 VAL A 129 -1.312 -4.422 5.066 1.00 0.00 C ATOM 0 H VAL A 129 -1.430 -3.568 7.765 1.00 0.00 H new ATOM 0 HA VAL A 129 -3.523 -4.828 6.394 1.00 0.00 H new ATOM 0 HB VAL A 129 -0.576 -5.449 6.814 1.00 0.00 H new ATOM 0 HG11 VAL A 129 -0.800 -7.097 4.976 1.00 0.00 H new ATOM 0 HG12 VAL A 129 -1.781 -7.572 6.383 1.00 0.00 H new ATOM 0 HG13 VAL A 129 -2.561 -6.841 4.960 1.00 0.00 H new ATOM 0 HG21 VAL A 129 -0.446 -4.680 4.457 1.00 0.00 H new ATOM 0 HG22 VAL A 129 -2.207 -4.423 4.444 1.00 0.00 H new ATOM 0 HG23 VAL A 129 -1.171 -3.431 5.496 1.00 0.00 H new ATOM 2050 N ILE A 130 -2.196 -6.638 8.837 1.00 0.00 N ATOM 2051 CA ILE A 130 -2.456 -7.762 9.727 1.00 0.00 C ATOM 2052 C ILE A 130 -3.829 -7.620 10.376 1.00 0.00 C ATOM 2053 O ILE A 130 -4.658 -8.526 10.303 1.00 0.00 O ATOM 2054 CB ILE A 130 -1.381 -7.828 10.813 1.00 0.00 C ATOM 2055 CG1 ILE A 130 -0.083 -8.370 10.209 1.00 0.00 C ATOM 2056 CG2 ILE A 130 -1.847 -8.755 11.936 1.00 0.00 C ATOM 2057 CD1 ILE A 130 1.025 -8.339 11.265 1.00 0.00 C ATOM 0 H ILE A 130 -1.303 -6.171 8.992 1.00 0.00 H new ATOM 0 HA ILE A 130 -2.435 -8.680 9.140 1.00 0.00 H new ATOM 0 HB ILE A 130 -1.207 -6.830 11.216 1.00 0.00 H new ATOM 0 HG12 ILE A 130 -0.233 -9.390 9.854 1.00 0.00 H new ATOM 0 HG13 ILE A 130 0.206 -7.771 9.345 1.00 0.00 H new ATOM 0 HG21 ILE A 130 -1.081 -8.802 12.710 1.00 0.00 H new ATOM 0 HG22 ILE A 130 -2.773 -8.371 12.364 1.00 0.00 H new ATOM 0 HG23 ILE A 130 -2.020 -9.754 11.535 1.00 0.00 H new ATOM 0 HD11 ILE A 130 1.949 -8.725 10.834 1.00 0.00 H new ATOM 0 HD12 ILE A 130 1.181 -7.313 11.599 1.00 0.00 H new ATOM 0 HD13 ILE A 130 0.735 -8.957 12.115 1.00 0.00 H new ATOM 2069 N GLN A 131 -4.058 -6.476 11.011 1.00 0.00 N ATOM 2070 CA GLN A 131 -5.334 -6.223 11.672 1.00 0.00 C ATOM 2071 C GLN A 131 -6.493 -6.700 10.802 1.00 0.00 C ATOM 2072 O GLN A 131 -7.505 -7.182 11.311 1.00 0.00 O ATOM 2073 CB GLN A 131 -5.486 -4.728 11.954 1.00 0.00 C ATOM 2074 CG GLN A 131 -6.891 -4.448 12.492 1.00 0.00 C ATOM 2075 CD GLN A 131 -6.962 -3.034 13.055 1.00 0.00 C ATOM 2076 OE1 GLN A 131 -6.072 -2.612 13.795 1.00 0.00 O ATOM 2077 NE2 GLN A 131 -7.975 -2.270 12.750 1.00 0.00 N ATOM 0 H GLN A 131 -3.383 -5.714 11.082 1.00 0.00 H new ATOM 0 HA GLN A 131 -5.351 -6.774 12.612 1.00 0.00 H new ATOM 0 HB2 GLN A 131 -4.737 -4.406 12.678 1.00 0.00 H new ATOM 0 HB3 GLN A 131 -5.314 -4.156 11.042 1.00 0.00 H new ATOM 0 HG2 GLN A 131 -7.625 -4.568 11.695 1.00 0.00 H new ATOM 0 HG3 GLN A 131 -7.143 -5.170 13.269 1.00 0.00 H new ATOM 0 HE21 GLN A 131 -8.711 -2.620 12.137 1.00 0.00 H new ATOM 0 HE22 GLN A 131 -8.030 -1.323 13.124 1.00 0.00 H new ATOM 2086 N LEU A 132 -6.339 -6.561 9.489 1.00 0.00 N ATOM 2087 CA LEU A 132 -7.381 -6.983 8.560 1.00 0.00 C ATOM 2088 C LEU A 132 -7.557 -8.497 8.603 1.00 0.00 C ATOM 2089 O LEU A 132 -8.635 -8.997 8.925 1.00 0.00 O ATOM 2090 CB LEU A 132 -7.021 -6.547 7.137 1.00 0.00 C ATOM 2091 CG LEU A 132 -8.181 -5.753 6.532 1.00 0.00 C ATOM 2092 CD1 LEU A 132 -8.134 -4.312 7.040 1.00 0.00 C ATOM 2093 CD2 LEU A 132 -8.062 -5.760 5.005 1.00 0.00 C ATOM 0 H LEU A 132 -5.510 -6.163 9.047 1.00 0.00 H new ATOM 0 HA LEU A 132 -8.318 -6.512 8.857 1.00 0.00 H new ATOM 0 HB2 LEU A 132 -6.118 -5.937 7.151 1.00 0.00 H new ATOM 0 HB3 LEU A 132 -6.806 -7.421 6.522 1.00 0.00 H new ATOM 0 HG LEU A 132 -9.126 -6.210 6.826 1.00 0.00 H new ATOM 0 HD11 LEU A 132 -8.960 -3.747 6.609 1.00 0.00 H new ATOM 0 HD12 LEU A 132 -8.219 -4.306 8.127 1.00 0.00 H new ATOM 0 HD13 LEU A 132 -7.189 -3.854 6.747 1.00 0.00 H new ATOM 0 HD21 LEU A 132 -8.888 -5.195 4.573 1.00 0.00 H new ATOM 0 HD22 LEU A 132 -7.117 -5.303 4.712 1.00 0.00 H new ATOM 0 HD23 LEU A 132 -8.096 -6.787 4.642 1.00 0.00 H new ATOM 2105 N VAL A 133 -6.491 -9.222 8.281 1.00 0.00 N ATOM 2106 CA VAL A 133 -6.543 -10.680 8.291 1.00 0.00 C ATOM 2107 C VAL A 133 -6.797 -11.192 9.705 1.00 0.00 C ATOM 2108 O VAL A 133 -7.535 -12.157 9.903 1.00 0.00 O ATOM 2109 CB VAL A 133 -5.229 -11.259 7.764 1.00 0.00 C ATOM 2110 CG1 VAL A 133 -5.450 -12.708 7.327 1.00 0.00 C ATOM 2111 CG2 VAL A 133 -4.749 -10.433 6.566 1.00 0.00 C ATOM 0 H VAL A 133 -5.589 -8.829 8.012 1.00 0.00 H new ATOM 0 HA VAL A 133 -7.360 -11.000 7.645 1.00 0.00 H new ATOM 0 HB VAL A 133 -4.477 -11.227 8.552 1.00 0.00 H new ATOM 0 HG11 VAL A 133 -4.514 -13.121 6.951 1.00 0.00 H new ATOM 0 HG12 VAL A 133 -5.791 -13.297 8.179 1.00 0.00 H new ATOM 0 HG13 VAL A 133 -6.203 -12.740 6.539 1.00 0.00 H new ATOM 0 HG21 VAL A 133 -3.813 -10.846 6.191 1.00 0.00 H new ATOM 0 HG22 VAL A 133 -5.501 -10.464 5.778 1.00 0.00 H new ATOM 0 HG23 VAL A 133 -4.591 -9.400 6.876 1.00 0.00 H new ATOM 2121 N GLN A 134 -6.182 -10.536 10.684 1.00 0.00 N ATOM 2122 CA GLN A 134 -6.352 -10.930 12.078 1.00 0.00 C ATOM 2123 C GLN A 134 -7.819 -10.838 12.481 1.00 0.00 C ATOM 2124 O GLN A 134 -8.295 -11.609 13.314 1.00 0.00 O ATOM 2125 CB GLN A 134 -5.512 -10.026 12.981 1.00 0.00 C ATOM 2126 CG GLN A 134 -5.308 -10.705 14.337 1.00 0.00 C ATOM 2127 CD GLN A 134 -4.459 -9.816 15.241 1.00 0.00 C ATOM 2128 OE1 GLN A 134 -4.333 -8.618 14.993 1.00 0.00 O ATOM 2129 NE2 GLN A 134 -3.866 -10.336 16.281 1.00 0.00 N ATOM 0 H GLN A 134 -5.566 -9.736 10.540 1.00 0.00 H new ATOM 0 HA GLN A 134 -6.020 -11.962 12.191 1.00 0.00 H new ATOM 0 HB2 GLN A 134 -4.548 -9.824 12.515 1.00 0.00 H new ATOM 0 HB3 GLN A 134 -6.009 -9.065 13.115 1.00 0.00 H new ATOM 0 HG2 GLN A 134 -6.273 -10.899 14.805 1.00 0.00 H new ATOM 0 HG3 GLN A 134 -4.821 -11.670 14.200 1.00 0.00 H new ATOM 0 HE21 GLN A 134 -3.972 -11.330 16.485 1.00 0.00 H new ATOM 0 HE22 GLN A 134 -3.297 -9.749 16.890 1.00 0.00 H new ATOM 2138 N GLU A 135 -8.532 -9.890 11.881 1.00 0.00 N ATOM 2139 CA GLU A 135 -9.946 -9.707 12.182 1.00 0.00 C ATOM 2140 C GLU A 135 -10.734 -10.958 11.815 1.00 0.00 C ATOM 2141 O GLU A 135 -11.505 -11.477 12.621 1.00 0.00 O ATOM 2142 CB GLU A 135 -10.496 -8.507 11.408 1.00 0.00 C ATOM 2143 CG GLU A 135 -11.808 -8.046 12.044 1.00 0.00 C ATOM 2144 CD GLU A 135 -11.525 -7.302 13.345 1.00 0.00 C ATOM 2145 OE1 GLU A 135 -11.035 -6.187 13.272 1.00 0.00 O ATOM 2146 OE2 GLU A 135 -11.801 -7.858 14.396 1.00 0.00 O ATOM 0 H GLU A 135 -8.157 -9.242 11.189 1.00 0.00 H new ATOM 0 HA GLU A 135 -10.051 -9.525 13.251 1.00 0.00 H new ATOM 0 HB2 GLU A 135 -9.771 -7.693 11.415 1.00 0.00 H new ATOM 0 HB3 GLU A 135 -10.661 -8.778 10.365 1.00 0.00 H new ATOM 0 HG2 GLU A 135 -12.347 -7.397 11.354 1.00 0.00 H new ATOM 0 HG3 GLU A 135 -12.449 -8.906 12.239 1.00 0.00 H new ATOM 2153 N GLN A 136 -10.530 -11.443 10.594 1.00 0.00 N ATOM 2154 CA GLN A 136 -11.224 -12.639 10.135 1.00 0.00 C ATOM 2155 C GLN A 136 -11.078 -13.762 11.155 1.00 0.00 C ATOM 2156 O GLN A 136 -12.067 -14.347 11.597 1.00 0.00 O ATOM 2157 CB GLN A 136 -10.651 -13.088 8.788 1.00 0.00 C ATOM 2158 CG GLN A 136 -11.761 -13.720 7.948 1.00 0.00 C ATOM 2159 CD GLN A 136 -12.792 -12.663 7.568 1.00 0.00 C ATOM 2160 OE1 GLN A 136 -13.956 -12.761 7.957 1.00 0.00 O ATOM 2161 NE2 GLN A 136 -12.432 -11.651 6.827 1.00 0.00 N ATOM 0 H GLN A 136 -9.895 -11.030 9.911 1.00 0.00 H new ATOM 0 HA GLN A 136 -12.282 -12.405 10.018 1.00 0.00 H new ATOM 0 HB2 GLN A 136 -10.222 -12.236 8.261 1.00 0.00 H new ATOM 0 HB3 GLN A 136 -9.845 -13.805 8.944 1.00 0.00 H new ATOM 0 HG2 GLN A 136 -11.338 -14.167 7.049 1.00 0.00 H new ATOM 0 HG3 GLN A 136 -12.240 -14.523 8.508 1.00 0.00 H new ATOM 0 HE21 GLN A 136 -11.467 -11.572 6.506 1.00 0.00 H new ATOM 0 HE22 GLN A 136 -13.115 -10.939 6.569 1.00 0.00 H new ATOM 2170 N THR A 137 -9.836 -14.056 11.529 1.00 0.00 N ATOM 2171 CA THR A 137 -9.571 -15.109 12.503 1.00 0.00 C ATOM 2172 C THR A 137 -10.002 -14.667 13.898 1.00 0.00 C ATOM 2173 O THR A 137 -9.624 -15.277 14.898 1.00 0.00 O ATOM 2174 CB THR A 137 -8.078 -15.450 12.511 1.00 0.00 C ATOM 2175 OG1 THR A 137 -7.320 -14.248 12.533 1.00 0.00 O ATOM 2176 CG2 THR A 137 -7.727 -16.255 11.257 1.00 0.00 C ATOM 0 H THR A 137 -9.004 -13.584 11.176 1.00 0.00 H new ATOM 0 HA THR A 137 -10.143 -15.993 12.221 1.00 0.00 H new ATOM 0 HB THR A 137 -7.846 -16.043 13.395 1.00 0.00 H new ATOM 0 HG1 THR A 137 -7.859 -13.528 12.922 1.00 0.00 H new ATOM 0 HG21 THR A 137 -6.664 -16.496 11.265 1.00 0.00 H new ATOM 0 HG22 THR A 137 -8.308 -17.177 11.242 1.00 0.00 H new ATOM 0 HG23 THR A 137 -7.958 -15.666 10.370 1.00 0.00 H new ATOM 2184 N LYS A 138 -10.795 -13.601 13.955 1.00 0.00 N ATOM 2185 CA LYS A 138 -11.273 -13.084 15.232 1.00 0.00 C ATOM 2186 C LYS A 138 -10.126 -12.985 16.234 1.00 0.00 C ATOM 2187 O LYS A 138 -9.646 -13.998 16.744 1.00 0.00 O ATOM 2188 CB LYS A 138 -12.365 -13.997 15.792 1.00 0.00 C ATOM 2189 CG LYS A 138 -13.363 -14.338 14.684 1.00 0.00 C ATOM 2190 CD LYS A 138 -14.122 -13.074 14.272 1.00 0.00 C ATOM 2191 CE LYS A 138 -15.586 -13.424 13.998 1.00 0.00 C ATOM 2192 NZ LYS A 138 -15.654 -14.561 13.037 1.00 0.00 N ATOM 0 H LYS A 138 -11.118 -13.082 13.138 1.00 0.00 H new ATOM 0 HA LYS A 138 -11.684 -12.088 15.067 1.00 0.00 H new ATOM 0 HB2 LYS A 138 -11.922 -14.910 16.190 1.00 0.00 H new ATOM 0 HB3 LYS A 138 -12.877 -13.504 16.618 1.00 0.00 H new ATOM 0 HG2 LYS A 138 -12.839 -14.757 13.825 1.00 0.00 H new ATOM 0 HG3 LYS A 138 -14.063 -15.098 15.032 1.00 0.00 H new ATOM 0 HD2 LYS A 138 -14.058 -12.325 15.061 1.00 0.00 H new ATOM 0 HD3 LYS A 138 -13.668 -12.639 13.382 1.00 0.00 H new ATOM 0 HE2 LYS A 138 -16.088 -13.690 14.928 1.00 0.00 H new ATOM 0 HE3 LYS A 138 -16.108 -12.558 13.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 138 -16.547 -14.514 12.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 138 -14.855 -14.504 12.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 138 -15.607 -15.460 13.559 1.00 0.00 H new ATOM 2206 N GLU A 139 -9.693 -11.760 16.510 1.00 0.00 N ATOM 2207 CA GLU A 139 -8.601 -11.540 17.453 1.00 0.00 C ATOM 2208 C GLU A 139 -7.326 -12.217 16.962 1.00 0.00 C ATOM 2209 O GLU A 139 -7.249 -13.443 16.895 1.00 0.00 O ATOM 2210 CB GLU A 139 -8.978 -12.094 18.828 1.00 0.00 C ATOM 2211 CG GLU A 139 -7.915 -11.688 19.852 1.00 0.00 C ATOM 2212 CD GLU A 139 -8.083 -12.503 21.129 1.00 0.00 C ATOM 2213 OE1 GLU A 139 -9.052 -13.239 21.216 1.00 0.00 O ATOM 2214 OE2 GLU A 139 -7.240 -12.378 22.003 1.00 0.00 O ATOM 0 H GLU A 139 -10.077 -10.910 16.098 1.00 0.00 H new ATOM 0 HA GLU A 139 -8.423 -10.467 17.531 1.00 0.00 H new ATOM 0 HB2 GLU A 139 -9.953 -11.713 19.130 1.00 0.00 H new ATOM 0 HB3 GLU A 139 -9.060 -13.180 18.784 1.00 0.00 H new ATOM 0 HG2 GLU A 139 -6.920 -11.847 19.438 1.00 0.00 H new ATOM 0 HG3 GLU A 139 -8.001 -10.625 20.076 1.00 0.00 H new TER 2221 GLU A 139