USER MOD reduce.3.24.130724 H: found=0, std=0, add=1126, rem=0, adj=31 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 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 134 GLN :FLIP amide:sc= -0.137 F(o=-2.3,f=-0.14) USER MOD Set 2.1: A 83 ASN : amide:sc= -4.71! C(o=-9.2!,f=-10!) USER MOD Set 2.2: A 84 ASN : amide:sc= -4.47! C(o=-9.2!,f=-11!) USER MOD Set 3.1: A 60 TYR OH : rot 180:sc= -1.06 USER MOD Set 3.2: A 122 GLN : amide:sc= -0.681 K(o=-1.7,f=-2.5) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -172:sc= -0.508 (180deg=-0.758) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 ASN : amide:sc= 0.635 K(o=0.63,f=-4.2!) USER MOD Single : A 9 THR OG1 : rot -22:sc= 0.273 USER MOD Single : A 13 HIS : no HD1:sc= -0.792! C(o=-0.79!,f=-5.3!) USER MOD Single : A 18 HIS :FLIP no HD1:sc= -1.97 F(o=-3.2!,f=-2) USER MOD Single : A 22 ASN : amide:sc= -3.2! C(o=-3.2!,f=-5.6!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 GLN :FLIP amide:sc= -0.631 F(o=-1.4,f=-0.63) USER MOD Single : A 32 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 34 MET CE :methyl 173:sc= -0.107 (180deg=-0.23) USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=-0.067) USER MOD Single : A 39 LYS NZ :NH3+ 149:sc= -0.3 (180deg=-1.35!) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 44:sc= 0.0264! USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 CYS SG : rot 180:sc= -2.86! USER MOD Single : A 57 CYS SG : rot 180:sc= -0.0205 USER MOD Single : A 62 THR OG1 : rot 180:sc= -0.151 USER MOD Single : A 70 ASN : amide:sc= -0.428 X(o=-0.43,f=-0.59) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ -148:sc= -0.278 (180deg=-1.4!) USER MOD Single : A 81 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 SER OG : rot -75:sc= -1.52! 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 -160:sc= -1.21 USER MOD Single : A 96 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 97 SER OG : rot 67:sc= -0.116 USER MOD Single : A 99 GLN :FLIP amide:sc= -0.137 F(o=-1.4!,f=-0.14) USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD Single : A 105 GLN : amide:sc= -0.0343 K(o=-0.034,f=-1) USER MOD Single : A 106 LYS NZ :NH3+ -157:sc= -0.956 (180deg=-2.16!) USER MOD Single : A 108 THR OG1 : rot 90:sc= -5.15! USER MOD Single : A 114 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD Single : A 123 MET CE :methyl -119:sc= -0.0469 (180deg=-0.303) USER MOD Single : A 126 SER OG : rot -173:sc= -0.961 USER MOD Single : A 127 CYS SG : rot 180:sc= 0 USER MOD Single : A 131 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 136 GLN :FLIP amide:sc= -0.167 F(o=-1.4,f=-0.17) USER MOD Single : A 137 THR OG1 : rot 76:sc= 0.822 USER MOD Single : A 138 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.111) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 14.843 -23.720 -13.235 1.00 0.00 N ATOM 2 CA MET A 1 14.312 -23.436 -11.872 1.00 0.00 C ATOM 3 C MET A 1 13.527 -24.644 -11.372 1.00 0.00 C ATOM 4 O MET A 1 12.457 -24.496 -10.781 1.00 0.00 O ATOM 5 CB MET A 1 13.397 -22.213 -11.927 1.00 0.00 C ATOM 6 CG MET A 1 14.172 -21.013 -12.475 1.00 0.00 C ATOM 7 SD MET A 1 13.103 -19.553 -12.469 1.00 0.00 S ATOM 8 CE MET A 1 14.393 -18.323 -12.780 1.00 0.00 C ATOM 0 H1 MET A 1 15.489 -22.957 -13.522 1.00 0.00 H new ATOM 0 H2 MET A 1 15.358 -24.624 -13.226 1.00 0.00 H new ATOM 0 H3 MET A 1 14.054 -23.778 -13.910 1.00 0.00 H new ATOM 0 HA MET A 1 15.140 -23.236 -11.191 1.00 0.00 H new ATOM 0 HB2 MET A 1 12.534 -22.421 -12.560 1.00 0.00 H new ATOM 0 HB3 MET A 1 13.015 -21.988 -10.931 1.00 0.00 H new ATOM 0 HG2 MET A 1 15.059 -20.831 -11.868 1.00 0.00 H new ATOM 0 HG3 MET A 1 14.517 -21.221 -13.488 1.00 0.00 H new ATOM 0 HE1 MET A 1 13.947 -17.329 -12.817 1.00 0.00 H new ATOM 0 HE2 MET A 1 15.132 -18.360 -11.979 1.00 0.00 H new ATOM 0 HE3 MET A 1 14.879 -18.538 -13.732 1.00 0.00 H new ATOM 20 N GLU A 2 14.060 -25.836 -11.612 1.00 0.00 N ATOM 21 CA GLU A 2 13.392 -27.057 -11.178 1.00 0.00 C ATOM 22 C GLU A 2 11.879 -26.915 -11.310 1.00 0.00 C ATOM 23 O GLU A 2 11.185 -26.640 -10.332 1.00 0.00 O ATOM 24 CB GLU A 2 13.750 -27.361 -9.722 1.00 0.00 C ATOM 25 CG GLU A 2 15.268 -27.295 -9.542 1.00 0.00 C ATOM 26 CD GLU A 2 15.964 -27.969 -10.720 1.00 0.00 C ATOM 27 OE1 GLU A 2 15.847 -29.177 -10.840 1.00 0.00 O ATOM 28 OE2 GLU A 2 16.604 -27.266 -11.486 1.00 0.00 O ATOM 0 H GLU A 2 14.944 -25.983 -12.100 1.00 0.00 H new ATOM 0 HA GLU A 2 13.728 -27.877 -11.813 1.00 0.00 H new ATOM 0 HB2 GLU A 2 13.264 -26.644 -9.060 1.00 0.00 H new ATOM 0 HB3 GLU A 2 13.384 -28.350 -9.446 1.00 0.00 H new ATOM 0 HG2 GLU A 2 15.588 -26.256 -9.466 1.00 0.00 H new ATOM 0 HG3 GLU A 2 15.554 -27.785 -8.611 1.00 0.00 H new ATOM 35 N LYS A 3 11.372 -27.105 -12.524 1.00 0.00 N ATOM 36 CA LYS A 3 9.938 -26.997 -12.768 1.00 0.00 C ATOM 37 C LYS A 3 9.282 -28.373 -12.696 1.00 0.00 C ATOM 38 O LYS A 3 9.830 -29.357 -13.191 1.00 0.00 O ATOM 39 CB LYS A 3 9.685 -26.380 -14.145 1.00 0.00 C ATOM 40 CG LYS A 3 8.179 -26.336 -14.414 1.00 0.00 C ATOM 41 CD LYS A 3 7.925 -25.768 -15.813 1.00 0.00 C ATOM 42 CE LYS A 3 7.924 -24.240 -15.750 1.00 0.00 C ATOM 43 NZ LYS A 3 6.548 -23.756 -15.442 1.00 0.00 N ATOM 0 H LYS A 3 11.928 -27.333 -13.348 1.00 0.00 H new ATOM 0 HA LYS A 3 9.504 -26.356 -12.001 1.00 0.00 H new ATOM 0 HB2 LYS A 3 10.103 -25.374 -14.187 1.00 0.00 H new ATOM 0 HB3 LYS A 3 10.186 -26.966 -14.916 1.00 0.00 H new ATOM 0 HG2 LYS A 3 7.755 -27.337 -14.334 1.00 0.00 H new ATOM 0 HG3 LYS A 3 7.683 -25.719 -13.664 1.00 0.00 H new ATOM 0 HD2 LYS A 3 8.695 -26.114 -16.503 1.00 0.00 H new ATOM 0 HD3 LYS A 3 6.970 -26.128 -16.195 1.00 0.00 H new ATOM 0 HE2 LYS A 3 8.621 -23.896 -14.986 1.00 0.00 H new ATOM 0 HE3 LYS A 3 8.263 -23.826 -16.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 6.547 -22.717 -15.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 5.894 -24.072 -16.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 6.242 -24.141 -14.526 1.00 0.00 H new ATOM 57 N ASN A 4 8.107 -28.435 -12.076 1.00 0.00 N ATOM 58 CA ASN A 4 7.390 -29.698 -11.948 1.00 0.00 C ATOM 59 C ASN A 4 6.524 -29.949 -13.178 1.00 0.00 C ATOM 60 O ASN A 4 6.091 -29.012 -13.847 1.00 0.00 O ATOM 61 CB ASN A 4 6.509 -29.677 -10.696 1.00 0.00 C ATOM 62 CG ASN A 4 6.760 -28.400 -9.901 1.00 0.00 C ATOM 63 OD1 ASN A 4 6.610 -27.299 -10.430 1.00 0.00 O ATOM 64 ND2 ASN A 4 7.133 -28.483 -8.653 1.00 0.00 N ATOM 0 H ASN A 4 7.635 -27.633 -11.658 1.00 0.00 H new ATOM 0 HA ASN A 4 8.122 -30.501 -11.862 1.00 0.00 H new ATOM 0 HB2 ASN A 4 5.458 -29.737 -10.980 1.00 0.00 H new ATOM 0 HB3 ASN A 4 6.722 -30.548 -10.077 1.00 0.00 H new ATOM 0 HD21 ASN A 4 7.301 -27.634 -8.113 1.00 0.00 H new ATOM 0 HD22 ASN A 4 7.256 -29.397 -8.217 1.00 0.00 H new ATOM 71 N PRO A 5 6.269 -31.193 -13.478 1.00 0.00 N ATOM 72 CA PRO A 5 5.436 -31.590 -14.652 1.00 0.00 C ATOM 73 C PRO A 5 3.987 -31.117 -14.512 1.00 0.00 C ATOM 74 O PRO A 5 3.240 -31.629 -13.679 1.00 0.00 O ATOM 75 CB PRO A 5 5.508 -33.121 -14.662 1.00 0.00 C ATOM 76 CG PRO A 5 5.936 -33.520 -13.289 1.00 0.00 C ATOM 77 CD PRO A 5 6.750 -32.359 -12.725 1.00 0.00 C ATOM 0 HA PRO A 5 5.799 -31.140 -15.576 1.00 0.00 H new ATOM 0 HB2 PRO A 5 4.540 -33.556 -14.911 1.00 0.00 H new ATOM 0 HB3 PRO A 5 6.218 -33.474 -15.410 1.00 0.00 H new ATOM 0 HG2 PRO A 5 5.071 -33.727 -12.659 1.00 0.00 H new ATOM 0 HG3 PRO A 5 6.533 -34.431 -13.320 1.00 0.00 H new ATOM 0 HD2 PRO A 5 6.586 -32.239 -11.654 1.00 0.00 H new ATOM 0 HD3 PRO A 5 7.819 -32.514 -12.868 1.00 0.00 H new ATOM 85 N PRO A 6 3.579 -30.155 -15.303 1.00 0.00 N ATOM 86 CA PRO A 6 2.190 -29.611 -15.253 1.00 0.00 C ATOM 87 C PRO A 6 1.138 -30.717 -15.286 1.00 0.00 C ATOM 88 O PRO A 6 0.977 -31.405 -16.293 1.00 0.00 O ATOM 89 CB PRO A 6 2.096 -28.729 -16.500 1.00 0.00 C ATOM 90 CG PRO A 6 3.500 -28.346 -16.826 1.00 0.00 C ATOM 91 CD PRO A 6 4.393 -29.483 -16.330 1.00 0.00 C ATOM 0 HA PRO A 6 1.999 -29.066 -14.328 1.00 0.00 H new ATOM 0 HB2 PRO A 6 1.634 -29.268 -17.327 1.00 0.00 H new ATOM 0 HB3 PRO A 6 1.483 -27.848 -16.312 1.00 0.00 H new ATOM 0 HG2 PRO A 6 3.622 -28.199 -17.899 1.00 0.00 H new ATOM 0 HG3 PRO A 6 3.767 -27.406 -16.343 1.00 0.00 H new ATOM 0 HD2 PRO A 6 4.657 -30.165 -17.139 1.00 0.00 H new ATOM 0 HD3 PRO A 6 5.327 -29.105 -15.914 1.00 0.00 H new ATOM 99 N ASP A 7 0.425 -30.881 -14.175 1.00 0.00 N ATOM 100 CA ASP A 7 -0.608 -31.906 -14.087 1.00 0.00 C ATOM 101 C ASP A 7 -1.643 -31.535 -13.030 1.00 0.00 C ATOM 102 O ASP A 7 -1.966 -32.339 -12.156 1.00 0.00 O ATOM 103 CB ASP A 7 0.023 -33.254 -13.734 1.00 0.00 C ATOM 104 CG ASP A 7 1.284 -33.036 -12.905 1.00 0.00 C ATOM 105 OD1 ASP A 7 1.333 -32.052 -12.185 1.00 0.00 O ATOM 106 OD2 ASP A 7 2.184 -33.855 -13.002 1.00 0.00 O ATOM 0 H ASP A 7 0.543 -30.322 -13.330 1.00 0.00 H new ATOM 0 HA ASP A 7 -1.104 -31.979 -15.055 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -0.688 -33.863 -13.176 1.00 0.00 H new ATOM 0 HB3 ASP A 7 0.266 -33.801 -14.645 1.00 0.00 H new ATOM 111 N ASP A 8 -2.158 -30.314 -13.116 1.00 0.00 N ATOM 112 CA ASP A 8 -3.155 -29.850 -12.158 1.00 0.00 C ATOM 113 C ASP A 8 -2.820 -30.348 -10.756 1.00 0.00 C ATOM 114 O ASP A 8 -3.705 -30.761 -10.006 1.00 0.00 O ATOM 115 CB ASP A 8 -4.542 -30.350 -12.562 1.00 0.00 C ATOM 116 CG ASP A 8 -4.919 -29.792 -13.931 1.00 0.00 C ATOM 117 OD1 ASP A 8 -4.258 -30.144 -14.894 1.00 0.00 O ATOM 118 OD2 ASP A 8 -5.862 -29.022 -13.995 1.00 0.00 O ATOM 0 H ASP A 8 -1.905 -29.633 -13.832 1.00 0.00 H new ATOM 0 HA ASP A 8 -3.150 -28.760 -12.156 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -4.551 -31.440 -12.589 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -5.279 -30.043 -11.820 1.00 0.00 H new ATOM 123 N THR A 9 -1.538 -30.305 -10.409 1.00 0.00 N ATOM 124 CA THR A 9 -1.100 -30.754 -9.093 1.00 0.00 C ATOM 125 C THR A 9 -2.039 -30.230 -8.011 1.00 0.00 C ATOM 126 O THR A 9 -2.001 -30.686 -6.867 1.00 0.00 O ATOM 127 CB THR A 9 0.324 -30.265 -8.821 1.00 0.00 C ATOM 128 OG1 THR A 9 0.714 -30.651 -7.511 1.00 0.00 O ATOM 129 CG2 THR A 9 0.376 -28.742 -8.942 1.00 0.00 C ATOM 0 H THR A 9 -0.790 -29.967 -11.015 1.00 0.00 H new ATOM 0 HA THR A 9 -1.117 -31.844 -9.075 1.00 0.00 H new ATOM 0 HB THR A 9 1.004 -30.708 -9.549 1.00 0.00 H new ATOM 0 HG1 THR A 9 -0.084 -30.809 -6.965 1.00 0.00 H new ATOM 0 HG21 THR A 9 1.391 -28.396 -8.748 1.00 0.00 H new ATOM 0 HG22 THR A 9 0.078 -28.447 -9.948 1.00 0.00 H new ATOM 0 HG23 THR A 9 -0.304 -28.296 -8.217 1.00 0.00 H new ATOM 137 N GLY A 10 -2.881 -29.270 -8.379 1.00 0.00 N ATOM 138 CA GLY A 10 -3.826 -28.690 -7.434 1.00 0.00 C ATOM 139 C GLY A 10 -4.569 -27.516 -8.060 1.00 0.00 C ATOM 140 O GLY A 10 -4.128 -26.370 -7.975 1.00 0.00 O ATOM 0 H GLY A 10 -2.928 -28.879 -9.320 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -4.540 -29.449 -7.115 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -3.296 -28.356 -6.542 1.00 0.00 H new ATOM 144 N PRO A 11 -5.682 -27.786 -8.686 1.00 0.00 N ATOM 145 CA PRO A 11 -6.512 -26.742 -9.345 1.00 0.00 C ATOM 146 C PRO A 11 -7.411 -26.011 -8.352 1.00 0.00 C ATOM 147 O PRO A 11 -8.598 -25.808 -8.606 1.00 0.00 O ATOM 148 CB PRO A 11 -7.341 -27.539 -10.352 1.00 0.00 C ATOM 149 CG PRO A 11 -7.465 -28.913 -9.774 1.00 0.00 C ATOM 150 CD PRO A 11 -6.273 -29.123 -8.832 1.00 0.00 C ATOM 0 HA PRO A 11 -5.908 -25.959 -9.803 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -8.321 -27.086 -10.499 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -6.854 -27.566 -11.327 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -8.405 -29.018 -9.233 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -7.466 -29.663 -10.565 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -6.593 -29.523 -7.870 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -5.557 -29.831 -9.249 1.00 0.00 H new ATOM 158 N VAL A 12 -6.834 -25.617 -7.221 1.00 0.00 N ATOM 159 CA VAL A 12 -7.591 -24.909 -6.197 1.00 0.00 C ATOM 160 C VAL A 12 -7.021 -23.512 -5.979 1.00 0.00 C ATOM 161 O VAL A 12 -5.825 -23.283 -6.159 1.00 0.00 O ATOM 162 CB VAL A 12 -7.549 -25.691 -4.883 1.00 0.00 C ATOM 163 CG1 VAL A 12 -8.424 -24.991 -3.842 1.00 0.00 C ATOM 164 CG2 VAL A 12 -8.075 -27.108 -5.119 1.00 0.00 C ATOM 0 H VAL A 12 -5.853 -25.775 -6.992 1.00 0.00 H new ATOM 0 HA VAL A 12 -8.624 -24.818 -6.533 1.00 0.00 H new ATOM 0 HB VAL A 12 -6.522 -25.737 -4.521 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -8.393 -25.549 -2.906 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -8.052 -23.980 -3.674 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -9.451 -24.944 -4.203 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -8.046 -27.667 -4.184 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -9.102 -27.059 -5.481 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -7.452 -27.608 -5.861 1.00 0.00 H new ATOM 174 N HIS A 13 -7.886 -22.580 -5.592 1.00 0.00 N ATOM 175 CA HIS A 13 -7.459 -21.207 -5.353 1.00 0.00 C ATOM 176 C HIS A 13 -7.210 -20.976 -3.866 1.00 0.00 C ATOM 177 O HIS A 13 -7.391 -21.878 -3.049 1.00 0.00 O ATOM 178 CB HIS A 13 -8.528 -20.234 -5.853 1.00 0.00 C ATOM 179 CG HIS A 13 -9.888 -20.855 -5.686 1.00 0.00 C ATOM 180 ND1 HIS A 13 -10.264 -22.005 -6.361 1.00 0.00 N ATOM 181 CD2 HIS A 13 -10.971 -20.496 -4.924 1.00 0.00 C ATOM 182 CE1 HIS A 13 -11.526 -22.296 -5.996 1.00 0.00 C ATOM 183 NE2 HIS A 13 -12.005 -21.407 -5.122 1.00 0.00 N ATOM 0 H HIS A 13 -8.880 -22.749 -5.438 1.00 0.00 H new ATOM 0 HA HIS A 13 -6.530 -21.034 -5.896 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -8.473 -19.299 -5.296 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -8.353 -19.992 -6.901 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -11.015 -19.638 -4.270 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -12.083 -23.144 -6.365 1.00 0.00 H new ATOM 0 HE2 HIS A 13 -12.930 -21.398 -4.692 1.00 0.00 H new ATOM 191 N VAL A 14 -6.794 -19.762 -3.523 1.00 0.00 N ATOM 192 CA VAL A 14 -6.523 -19.425 -2.130 1.00 0.00 C ATOM 193 C VAL A 14 -7.007 -18.013 -1.817 1.00 0.00 C ATOM 194 O VAL A 14 -6.235 -17.054 -1.862 1.00 0.00 O ATOM 195 CB VAL A 14 -5.022 -19.528 -1.853 1.00 0.00 C ATOM 196 CG1 VAL A 14 -4.573 -20.981 -2.018 1.00 0.00 C ATOM 197 CG2 VAL A 14 -4.260 -18.644 -2.843 1.00 0.00 C ATOM 0 H VAL A 14 -6.638 -19.001 -4.184 1.00 0.00 H new ATOM 0 HA VAL A 14 -7.059 -20.128 -1.493 1.00 0.00 H new ATOM 0 HB VAL A 14 -4.816 -19.196 -0.835 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -3.504 -21.056 -1.821 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -5.117 -21.612 -1.315 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -4.778 -21.312 -3.036 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -3.190 -18.716 -2.647 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -4.466 -18.976 -3.861 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -4.581 -17.609 -2.728 1.00 0.00 H new ATOM 207 N PRO A 15 -8.267 -17.873 -1.503 1.00 0.00 N ATOM 208 CA PRO A 15 -8.877 -16.558 -1.175 1.00 0.00 C ATOM 209 C PRO A 15 -8.596 -16.132 0.265 1.00 0.00 C ATOM 210 O PRO A 15 -8.866 -14.995 0.650 1.00 0.00 O ATOM 211 CB PRO A 15 -10.371 -16.794 -1.399 1.00 0.00 C ATOM 212 CG PRO A 15 -10.587 -18.258 -1.178 1.00 0.00 C ATOM 213 CD PRO A 15 -9.250 -18.964 -1.430 1.00 0.00 C ATOM 0 HA PRO A 15 -8.471 -15.751 -1.785 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -10.969 -16.201 -0.707 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -10.667 -16.502 -2.407 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -10.934 -18.445 -0.162 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -11.355 -18.638 -1.852 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -9.011 -19.661 -0.626 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -9.273 -19.540 -2.355 1.00 0.00 H new ATOM 221 N LEU A 16 -8.048 -17.051 1.055 1.00 0.00 N ATOM 222 CA LEU A 16 -7.732 -16.756 2.447 1.00 0.00 C ATOM 223 C LEU A 16 -6.692 -17.735 2.983 1.00 0.00 C ATOM 224 O LEU A 16 -6.617 -18.880 2.539 1.00 0.00 O ATOM 225 CB LEU A 16 -8.997 -16.822 3.315 1.00 0.00 C ATOM 226 CG LEU A 16 -9.924 -17.941 2.827 1.00 0.00 C ATOM 227 CD1 LEU A 16 -9.414 -19.294 3.329 1.00 0.00 C ATOM 228 CD2 LEU A 16 -11.335 -17.697 3.370 1.00 0.00 C ATOM 0 H LEU A 16 -7.815 -17.998 0.757 1.00 0.00 H new ATOM 0 HA LEU A 16 -7.324 -15.746 2.491 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -8.723 -16.996 4.355 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -9.520 -15.866 3.279 1.00 0.00 H new ATOM 0 HG LEU A 16 -9.942 -17.947 1.737 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -10.077 -20.085 2.979 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -8.408 -19.468 2.947 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -9.393 -19.293 4.419 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -11.999 -18.490 3.026 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -11.310 -17.692 4.460 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -11.702 -16.735 3.011 1.00 0.00 H new ATOM 240 N GLY A 17 -5.892 -17.274 3.939 1.00 0.00 N ATOM 241 CA GLY A 17 -4.857 -18.115 4.529 1.00 0.00 C ATOM 242 C GLY A 17 -3.536 -17.360 4.630 1.00 0.00 C ATOM 243 O GLY A 17 -3.401 -16.428 5.422 1.00 0.00 O ATOM 0 H GLY A 17 -5.940 -16.329 4.320 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -5.170 -18.443 5.520 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -4.723 -19.012 3.924 1.00 0.00 H new ATOM 247 N HIS A 18 -2.562 -17.770 3.822 1.00 0.00 N ATOM 248 CA HIS A 18 -1.255 -17.123 3.828 1.00 0.00 C ATOM 249 C HIS A 18 -1.239 -15.941 2.864 1.00 0.00 C ATOM 250 O HIS A 18 -2.136 -15.795 2.033 1.00 0.00 O ATOM 251 CB HIS A 18 -0.174 -18.127 3.426 1.00 0.00 C ATOM 252 CG HIS A 18 -0.413 -18.580 2.012 1.00 0.00 C ATOM 253 ND1 HIS A 18 -0.126 -17.998 0.802 1.00 0.00 N flip ATOM 254 CD2 HIS A 18 -1.028 -19.786 1.716 1.00 0.00 C flip ATOM 255 CE1 HIS A 18 -0.555 -18.828 -0.230 1.00 0.00 C flip ATOM 256 NE2 HIS A 18 -1.090 -19.891 0.376 1.00 0.00 N flip ATOM 0 H HIS A 18 -2.652 -18.541 3.160 1.00 0.00 H new ATOM 0 HA HIS A 18 -1.055 -16.758 4.835 1.00 0.00 H new ATOM 0 HB2 HIS A 18 0.812 -17.670 3.511 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -0.188 -18.983 4.101 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -1.391 -20.510 2.431 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -0.473 -18.650 -1.292 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -1.496 -20.686 -0.117 1.00 0.00 H new ATOM 264 N ILE A 19 -0.218 -15.100 2.980 1.00 0.00 N ATOM 265 CA ILE A 19 -0.100 -13.935 2.112 1.00 0.00 C ATOM 266 C ILE A 19 1.113 -14.068 1.196 1.00 0.00 C ATOM 267 O ILE A 19 2.112 -14.687 1.558 1.00 0.00 O ATOM 268 CB ILE A 19 0.031 -12.666 2.956 1.00 0.00 C ATOM 269 CG1 ILE A 19 -1.233 -12.486 3.800 1.00 0.00 C ATOM 270 CG2 ILE A 19 0.207 -11.456 2.037 1.00 0.00 C ATOM 271 CD1 ILE A 19 -0.987 -11.418 4.868 1.00 0.00 C ATOM 0 H ILE A 19 0.535 -15.202 3.661 1.00 0.00 H new ATOM 0 HA ILE A 19 -0.998 -13.871 1.498 1.00 0.00 H new ATOM 0 HB ILE A 19 0.898 -12.752 3.611 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -2.069 -12.194 3.164 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -1.506 -13.430 4.271 1.00 0.00 H new ATOM 0 HG21 ILE A 19 0.300 -10.552 2.639 1.00 0.00 H new ATOM 0 HG22 ILE A 19 1.106 -11.585 1.434 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -0.660 -11.368 1.382 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -1.887 -11.290 5.469 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -0.163 -11.729 5.510 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -0.735 -10.473 4.386 1.00 0.00 H new ATOM 283 N VAL A 20 1.015 -13.480 0.008 1.00 0.00 N ATOM 284 CA VAL A 20 2.110 -13.539 -0.954 1.00 0.00 C ATOM 285 C VAL A 20 2.953 -12.270 -0.882 1.00 0.00 C ATOM 286 O VAL A 20 2.439 -11.186 -0.608 1.00 0.00 O ATOM 287 CB VAL A 20 1.554 -13.703 -2.368 1.00 0.00 C ATOM 288 CG1 VAL A 20 2.633 -14.298 -3.275 1.00 0.00 C ATOM 289 CG2 VAL A 20 0.345 -14.640 -2.333 1.00 0.00 C ATOM 0 H VAL A 20 0.196 -12.961 -0.310 1.00 0.00 H new ATOM 0 HA VAL A 20 2.739 -14.395 -0.709 1.00 0.00 H new ATOM 0 HB VAL A 20 1.251 -12.730 -2.755 1.00 0.00 H new ATOM 0 HG11 VAL A 20 2.237 -14.415 -4.284 1.00 0.00 H new ATOM 0 HG12 VAL A 20 3.496 -13.632 -3.299 1.00 0.00 H new ATOM 0 HG13 VAL A 20 2.936 -15.271 -2.889 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -0.053 -14.758 -3.341 1.00 0.00 H new ATOM 0 HG22 VAL A 20 0.650 -15.613 -1.947 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -0.424 -14.218 -1.686 1.00 0.00 H new ATOM 299 N ALA A 21 4.250 -12.414 -1.128 1.00 0.00 N ATOM 300 CA ALA A 21 5.156 -11.273 -1.089 1.00 0.00 C ATOM 301 C ALA A 21 6.070 -11.275 -2.310 1.00 0.00 C ATOM 302 O ALA A 21 6.247 -12.304 -2.963 1.00 0.00 O ATOM 303 CB ALA A 21 6.001 -11.320 0.186 1.00 0.00 C ATOM 0 H ALA A 21 4.695 -13.303 -1.355 1.00 0.00 H new ATOM 0 HA ALA A 21 4.562 -10.359 -1.096 1.00 0.00 H new ATOM 0 HB1 ALA A 21 6.675 -10.464 0.207 1.00 0.00 H new ATOM 0 HB2 ALA A 21 5.347 -11.289 1.057 1.00 0.00 H new ATOM 0 HB3 ALA A 21 6.583 -12.241 0.203 1.00 0.00 H new ATOM 309 N ASN A 22 6.649 -10.119 -2.614 1.00 0.00 N ATOM 310 CA ASN A 22 7.543 -10.002 -3.761 1.00 0.00 C ATOM 311 C ASN A 22 8.993 -10.204 -3.332 1.00 0.00 C ATOM 312 O ASN A 22 9.404 -9.749 -2.264 1.00 0.00 O ATOM 313 CB ASN A 22 7.384 -8.624 -4.409 1.00 0.00 C ATOM 314 CG ASN A 22 8.060 -8.609 -5.775 1.00 0.00 C ATOM 315 OD1 ASN A 22 8.303 -9.664 -6.362 1.00 0.00 O ATOM 316 ND2 ASN A 22 8.381 -7.467 -6.322 1.00 0.00 N ATOM 0 H ASN A 22 6.517 -9.256 -2.087 1.00 0.00 H new ATOM 0 HA ASN A 22 7.280 -10.774 -4.484 1.00 0.00 H new ATOM 0 HB2 ASN A 22 6.326 -8.383 -4.515 1.00 0.00 H new ATOM 0 HB3 ASN A 22 7.823 -7.859 -3.768 1.00 0.00 H new ATOM 0 HD21 ASN A 22 8.833 -7.449 -7.236 1.00 0.00 H new ATOM 0 HD22 ASN A 22 8.179 -6.594 -5.835 1.00 0.00 H new ATOM 323 N GLU A 23 9.762 -10.889 -4.171 1.00 0.00 N ATOM 324 CA GLU A 23 11.167 -11.149 -3.870 1.00 0.00 C ATOM 325 C GLU A 23 11.908 -9.845 -3.595 1.00 0.00 C ATOM 326 O GLU A 23 12.817 -9.797 -2.766 1.00 0.00 O ATOM 327 CB GLU A 23 11.827 -11.873 -5.045 1.00 0.00 C ATOM 328 CG GLU A 23 13.315 -12.081 -4.750 1.00 0.00 C ATOM 329 CD GLU A 23 13.485 -13.018 -3.559 1.00 0.00 C ATOM 330 OE1 GLU A 23 13.384 -12.545 -2.440 1.00 0.00 O ATOM 331 OE2 GLU A 23 13.713 -14.196 -3.786 1.00 0.00 O ATOM 0 H GLU A 23 9.440 -11.273 -5.060 1.00 0.00 H new ATOM 0 HA GLU A 23 11.217 -11.777 -2.980 1.00 0.00 H new ATOM 0 HB2 GLU A 23 11.341 -12.834 -5.212 1.00 0.00 H new ATOM 0 HB3 GLU A 23 11.705 -11.291 -5.959 1.00 0.00 H new ATOM 0 HG2 GLU A 23 13.813 -12.498 -5.625 1.00 0.00 H new ATOM 0 HG3 GLU A 23 13.790 -11.123 -4.540 1.00 0.00 H new ATOM 338 N LYS A 24 11.517 -8.789 -4.302 1.00 0.00 N ATOM 339 CA LYS A 24 12.156 -7.489 -4.132 1.00 0.00 C ATOM 340 C LYS A 24 11.626 -6.780 -2.888 1.00 0.00 C ATOM 341 O LYS A 24 12.400 -6.305 -2.058 1.00 0.00 O ATOM 342 CB LYS A 24 11.899 -6.619 -5.365 1.00 0.00 C ATOM 343 CG LYS A 24 12.671 -5.306 -5.235 1.00 0.00 C ATOM 344 CD LYS A 24 11.939 -4.204 -6.005 1.00 0.00 C ATOM 345 CE LYS A 24 10.711 -3.753 -5.210 1.00 0.00 C ATOM 346 NZ LYS A 24 10.847 -2.311 -4.863 1.00 0.00 N ATOM 0 H LYS A 24 10.767 -8.807 -4.993 1.00 0.00 H new ATOM 0 HA LYS A 24 13.228 -7.648 -4.011 1.00 0.00 H new ATOM 0 HB2 LYS A 24 12.209 -7.147 -6.267 1.00 0.00 H new ATOM 0 HB3 LYS A 24 10.832 -6.417 -5.465 1.00 0.00 H new ATOM 0 HG2 LYS A 24 12.765 -5.030 -4.185 1.00 0.00 H new ATOM 0 HG3 LYS A 24 13.682 -5.426 -5.624 1.00 0.00 H new ATOM 0 HD2 LYS A 24 12.606 -3.359 -6.174 1.00 0.00 H new ATOM 0 HD3 LYS A 24 11.636 -4.571 -6.985 1.00 0.00 H new ATOM 0 HE2 LYS A 24 9.806 -3.913 -5.796 1.00 0.00 H new ATOM 0 HE3 LYS A 24 10.613 -4.349 -4.303 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 10.013 -2.004 -4.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 11.702 -2.171 -4.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 10.921 -1.749 -5.735 1.00 0.00 H new ATOM 360 N TRP A 25 10.305 -6.705 -2.771 1.00 0.00 N ATOM 361 CA TRP A 25 9.691 -6.041 -1.626 1.00 0.00 C ATOM 362 C TRP A 25 10.010 -6.781 -0.332 1.00 0.00 C ATOM 363 O TRP A 25 9.491 -6.440 0.731 1.00 0.00 O ATOM 364 CB TRP A 25 8.175 -5.967 -1.812 1.00 0.00 C ATOM 365 CG TRP A 25 7.591 -5.102 -0.743 1.00 0.00 C ATOM 366 CD1 TRP A 25 6.679 -5.506 0.170 1.00 0.00 C ATOM 367 CD2 TRP A 25 7.865 -3.700 -0.456 1.00 0.00 C ATOM 368 NE1 TRP A 25 6.376 -4.441 1.000 1.00 0.00 N ATOM 369 CE2 TRP A 25 7.083 -3.306 0.654 1.00 0.00 C ATOM 370 CE3 TRP A 25 8.711 -2.741 -1.046 1.00 0.00 C ATOM 371 CZ2 TRP A 25 7.135 -2.007 1.161 1.00 0.00 C ATOM 372 CZ3 TRP A 25 8.766 -1.434 -0.538 1.00 0.00 C ATOM 373 CH2 TRP A 25 7.980 -1.067 0.564 1.00 0.00 C ATOM 0 H TRP A 25 9.645 -7.091 -3.446 1.00 0.00 H new ATOM 0 HA TRP A 25 10.099 -5.033 -1.561 1.00 0.00 H new ATOM 0 HB2 TRP A 25 7.937 -5.562 -2.795 1.00 0.00 H new ATOM 0 HB3 TRP A 25 7.742 -6.966 -1.765 1.00 0.00 H new ATOM 0 HD1 TRP A 25 6.256 -6.497 0.240 1.00 0.00 H new ATOM 0 HE1 TRP A 25 5.712 -4.488 1.773 1.00 0.00 H new ATOM 0 HE3 TRP A 25 9.321 -3.013 -1.895 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 6.526 -1.730 2.009 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 9.418 -0.706 -0.999 1.00 0.00 H new ATOM 0 HH2 TRP A 25 8.027 -0.060 0.951 1.00 0.00 H new ATOM 384 N ARG A 26 10.865 -7.793 -0.425 1.00 0.00 N ATOM 385 CA ARG A 26 11.242 -8.568 0.753 1.00 0.00 C ATOM 386 C ARG A 26 12.396 -7.896 1.492 1.00 0.00 C ATOM 387 O ARG A 26 12.878 -8.407 2.502 1.00 0.00 O ATOM 388 CB ARG A 26 11.654 -9.982 0.339 1.00 0.00 C ATOM 389 CG ARG A 26 11.931 -10.819 1.590 1.00 0.00 C ATOM 390 CD ARG A 26 13.426 -11.128 1.679 1.00 0.00 C ATOM 391 NE ARG A 26 13.777 -11.532 3.036 1.00 0.00 N ATOM 392 CZ ARG A 26 13.370 -12.695 3.533 1.00 0.00 C ATOM 393 NH1 ARG A 26 12.643 -13.498 2.804 1.00 0.00 N ATOM 394 NH2 ARG A 26 13.696 -13.036 4.750 1.00 0.00 N ATOM 0 H ARG A 26 11.307 -8.094 -1.294 1.00 0.00 H new ATOM 0 HA ARG A 26 10.381 -8.621 1.419 1.00 0.00 H new ATOM 0 HB2 ARG A 26 10.864 -10.444 -0.253 1.00 0.00 H new ATOM 0 HB3 ARG A 26 12.543 -9.944 -0.290 1.00 0.00 H new ATOM 0 HG2 ARG A 26 11.607 -10.279 2.480 1.00 0.00 H new ATOM 0 HG3 ARG A 26 11.359 -11.746 1.554 1.00 0.00 H new ATOM 0 HD2 ARG A 26 13.683 -11.922 0.977 1.00 0.00 H new ATOM 0 HD3 ARG A 26 14.004 -10.250 1.392 1.00 0.00 H new ATOM 0 HE ARG A 26 14.344 -10.911 3.613 1.00 0.00 H new ATOM 0 HH11 ARG A 26 12.388 -13.232 1.853 1.00 0.00 H new ATOM 0 HH12 ARG A 26 12.331 -14.391 3.186 1.00 0.00 H new ATOM 0 HH21 ARG A 26 14.264 -12.409 5.320 1.00 0.00 H new ATOM 0 HH22 ARG A 26 13.383 -13.929 5.131 1.00 0.00 H new ATOM 408 N GLY A 27 12.834 -6.750 0.981 1.00 0.00 N ATOM 409 CA GLY A 27 13.933 -6.019 1.602 1.00 0.00 C ATOM 410 C GLY A 27 13.420 -5.068 2.678 1.00 0.00 C ATOM 411 O GLY A 27 14.099 -4.108 3.046 1.00 0.00 O ATOM 0 H GLY A 27 12.449 -6.310 0.145 1.00 0.00 H new ATOM 0 HA2 GLY A 27 14.640 -6.723 2.041 1.00 0.00 H new ATOM 0 HA3 GLY A 27 14.475 -5.456 0.842 1.00 0.00 H new ATOM 415 N SER A 28 12.219 -5.337 3.177 1.00 0.00 N ATOM 416 CA SER A 28 11.625 -4.496 4.210 1.00 0.00 C ATOM 417 C SER A 28 11.421 -5.287 5.497 1.00 0.00 C ATOM 418 O SER A 28 11.302 -6.512 5.473 1.00 0.00 O ATOM 419 CB SER A 28 10.280 -3.950 3.729 1.00 0.00 C ATOM 420 OG SER A 28 10.494 -3.074 2.630 1.00 0.00 O ATOM 0 H SER A 28 11.641 -6.125 2.886 1.00 0.00 H new ATOM 0 HA SER A 28 12.305 -3.668 4.410 1.00 0.00 H new ATOM 0 HB2 SER A 28 9.626 -4.771 3.433 1.00 0.00 H new ATOM 0 HB3 SER A 28 9.779 -3.420 4.539 1.00 0.00 H new ATOM 0 HG SER A 28 9.633 -2.724 2.318 1.00 0.00 H new ATOM 426 N GLN A 29 11.381 -4.579 6.621 1.00 0.00 N ATOM 427 CA GLN A 29 11.189 -5.224 7.914 1.00 0.00 C ATOM 428 C GLN A 29 9.745 -5.691 8.068 1.00 0.00 C ATOM 429 O GLN A 29 9.453 -6.581 8.866 1.00 0.00 O ATOM 430 CB GLN A 29 11.538 -4.251 9.040 1.00 0.00 C ATOM 431 CG GLN A 29 12.722 -3.381 8.616 1.00 0.00 C ATOM 432 CD GLN A 29 13.854 -4.260 8.093 1.00 0.00 C ATOM 433 OE1 GLN A 29 14.131 -4.263 6.818 1.00 0.00 O flip ATOM 434 NE2 GLN A 29 14.505 -4.961 8.868 1.00 0.00 N flip ATOM 0 H GLN A 29 11.478 -3.565 6.663 1.00 0.00 H new ATOM 0 HA GLN A 29 11.847 -6.091 7.969 1.00 0.00 H new ATOM 0 HB2 GLN A 29 10.677 -3.624 9.272 1.00 0.00 H new ATOM 0 HB3 GLN A 29 11.785 -4.802 9.947 1.00 0.00 H new ATOM 0 HG2 GLN A 29 12.409 -2.678 7.844 1.00 0.00 H new ATOM 0 HG3 GLN A 29 13.071 -2.790 9.463 1.00 0.00 H new ATOM 0 HE21 GLN A 29 14.287 -4.957 9.864 1.00 0.00 H new ATOM 0 HE22 GLN A 29 15.262 -5.545 8.514 1.00 0.00 H new ATOM 443 N LEU A 30 8.846 -5.086 7.297 1.00 0.00 N ATOM 444 CA LEU A 30 7.434 -5.451 7.357 1.00 0.00 C ATOM 445 C LEU A 30 7.265 -6.937 7.068 1.00 0.00 C ATOM 446 O LEU A 30 6.858 -7.708 7.937 1.00 0.00 O ATOM 447 CB LEU A 30 6.655 -4.640 6.318 1.00 0.00 C ATOM 448 CG LEU A 30 5.161 -4.613 6.662 1.00 0.00 C ATOM 449 CD1 LEU A 30 4.688 -5.997 7.119 1.00 0.00 C ATOM 450 CD2 LEU A 30 4.912 -3.594 7.775 1.00 0.00 C ATOM 0 H LEU A 30 9.067 -4.347 6.629 1.00 0.00 H new ATOM 0 HA LEU A 30 7.052 -5.236 8.355 1.00 0.00 H new ATOM 0 HB2 LEU A 30 7.043 -3.622 6.278 1.00 0.00 H new ATOM 0 HB3 LEU A 30 6.798 -5.074 5.328 1.00 0.00 H new ATOM 0 HG LEU A 30 4.602 -4.330 5.770 1.00 0.00 H new ATOM 0 HD11 LEU A 30 3.625 -5.958 7.359 1.00 0.00 H new ATOM 0 HD12 LEU A 30 4.853 -6.720 6.320 1.00 0.00 H new ATOM 0 HD13 LEU A 30 5.248 -6.299 8.004 1.00 0.00 H new ATOM 0 HD21 LEU A 30 3.850 -3.575 8.020 1.00 0.00 H new ATOM 0 HD22 LEU A 30 5.483 -3.875 8.660 1.00 0.00 H new ATOM 0 HD23 LEU A 30 5.225 -2.605 7.440 1.00 0.00 H new ATOM 462 N ALA A 31 7.585 -7.328 5.841 1.00 0.00 N ATOM 463 CA ALA A 31 7.471 -8.726 5.440 1.00 0.00 C ATOM 464 C ALA A 31 7.992 -9.638 6.546 1.00 0.00 C ATOM 465 O ALA A 31 7.495 -10.748 6.734 1.00 0.00 O ATOM 466 CB ALA A 31 8.267 -8.968 4.156 1.00 0.00 C ATOM 0 H ALA A 31 7.923 -6.702 5.110 1.00 0.00 H new ATOM 0 HA ALA A 31 6.420 -8.952 5.260 1.00 0.00 H new ATOM 0 HB1 ALA A 31 8.177 -10.014 3.864 1.00 0.00 H new ATOM 0 HB2 ALA A 31 7.876 -8.334 3.360 1.00 0.00 H new ATOM 0 HB3 ALA A 31 9.316 -8.729 4.328 1.00 0.00 H new ATOM 472 N GLN A 32 8.994 -9.157 7.275 1.00 0.00 N ATOM 473 CA GLN A 32 9.574 -9.932 8.364 1.00 0.00 C ATOM 474 C GLN A 32 8.596 -10.022 9.530 1.00 0.00 C ATOM 475 O GLN A 32 8.230 -11.114 9.964 1.00 0.00 O ATOM 476 CB GLN A 32 10.874 -9.278 8.837 1.00 0.00 C ATOM 477 CG GLN A 32 11.629 -10.243 9.754 1.00 0.00 C ATOM 478 CD GLN A 32 12.993 -9.661 10.110 1.00 0.00 C ATOM 479 OE1 GLN A 32 13.333 -8.563 9.671 1.00 0.00 O ATOM 480 NE2 GLN A 32 13.799 -10.335 10.883 1.00 0.00 N ATOM 0 H GLN A 32 9.418 -8.240 7.132 1.00 0.00 H new ATOM 0 HA GLN A 32 9.786 -10.937 7.999 1.00 0.00 H new ATOM 0 HB2 GLN A 32 11.494 -9.015 7.980 1.00 0.00 H new ATOM 0 HB3 GLN A 32 10.655 -8.352 9.368 1.00 0.00 H new ATOM 0 HG2 GLN A 32 11.052 -10.422 10.661 1.00 0.00 H new ATOM 0 HG3 GLN A 32 11.753 -11.206 9.260 1.00 0.00 H new ATOM 0 HE21 GLN A 32 13.515 -11.245 11.246 1.00 0.00 H new ATOM 0 HE22 GLN A 32 14.713 -9.952 11.125 1.00 0.00 H new ATOM 489 N GLU A 33 8.175 -8.865 10.031 1.00 0.00 N ATOM 490 CA GLU A 33 7.236 -8.824 11.144 1.00 0.00 C ATOM 491 C GLU A 33 5.992 -9.645 10.819 1.00 0.00 C ATOM 492 O GLU A 33 5.470 -10.363 11.672 1.00 0.00 O ATOM 493 CB GLU A 33 6.834 -7.377 11.438 1.00 0.00 C ATOM 494 CG GLU A 33 8.074 -6.576 11.838 1.00 0.00 C ATOM 495 CD GLU A 33 7.679 -5.146 12.189 1.00 0.00 C ATOM 496 OE1 GLU A 33 6.514 -4.819 12.032 1.00 0.00 O ATOM 497 OE2 GLU A 33 8.546 -4.398 12.609 1.00 0.00 O ATOM 0 H GLU A 33 8.467 -7.950 9.686 1.00 0.00 H new ATOM 0 HA GLU A 33 7.721 -9.249 12.023 1.00 0.00 H new ATOM 0 HB2 GLU A 33 6.368 -6.932 10.559 1.00 0.00 H new ATOM 0 HB3 GLU A 33 6.095 -7.349 12.239 1.00 0.00 H new ATOM 0 HG2 GLU A 33 8.562 -7.047 12.691 1.00 0.00 H new ATOM 0 HG3 GLU A 33 8.795 -6.573 11.020 1.00 0.00 H new ATOM 504 N MET A 34 5.525 -9.535 9.580 1.00 0.00 N ATOM 505 CA MET A 34 4.342 -10.273 9.154 1.00 0.00 C ATOM 506 C MET A 34 4.417 -11.720 9.632 1.00 0.00 C ATOM 507 O MET A 34 3.456 -12.252 10.187 1.00 0.00 O ATOM 508 CB MET A 34 4.225 -10.241 7.628 1.00 0.00 C ATOM 509 CG MET A 34 3.388 -9.031 7.207 1.00 0.00 C ATOM 510 SD MET A 34 3.602 -8.737 5.434 1.00 0.00 S ATOM 511 CE MET A 34 1.910 -9.131 4.931 1.00 0.00 C ATOM 0 H MET A 34 5.943 -8.947 8.859 1.00 0.00 H new ATOM 0 HA MET A 34 3.463 -9.801 9.593 1.00 0.00 H new ATOM 0 HB2 MET A 34 5.216 -10.186 7.177 1.00 0.00 H new ATOM 0 HB3 MET A 34 3.762 -11.160 7.269 1.00 0.00 H new ATOM 0 HG2 MET A 34 2.336 -9.206 7.433 1.00 0.00 H new ATOM 0 HG3 MET A 34 3.693 -8.150 7.772 1.00 0.00 H new ATOM 0 HE1 MET A 34 1.780 -8.895 3.875 1.00 0.00 H new ATOM 0 HE2 MET A 34 1.720 -10.192 5.092 1.00 0.00 H new ATOM 0 HE3 MET A 34 1.208 -8.543 5.523 1.00 0.00 H new ATOM 521 N GLN A 35 5.568 -12.350 9.412 1.00 0.00 N ATOM 522 CA GLN A 35 5.759 -13.735 9.827 1.00 0.00 C ATOM 523 C GLN A 35 5.728 -13.846 11.348 1.00 0.00 C ATOM 524 O GLN A 35 6.081 -14.880 11.912 1.00 0.00 O ATOM 525 CB GLN A 35 7.103 -14.256 9.308 1.00 0.00 C ATOM 526 CG GLN A 35 7.011 -14.517 7.802 1.00 0.00 C ATOM 527 CD GLN A 35 7.545 -15.910 7.485 1.00 0.00 C ATOM 528 OE1 GLN A 35 7.007 -16.906 7.967 1.00 0.00 O ATOM 529 NE2 GLN A 35 8.578 -16.039 6.698 1.00 0.00 N ATOM 0 H GLN A 35 6.375 -11.928 8.953 1.00 0.00 H new ATOM 0 HA GLN A 35 4.949 -14.334 9.410 1.00 0.00 H new ATOM 0 HB2 GLN A 35 7.889 -13.529 9.513 1.00 0.00 H new ATOM 0 HB3 GLN A 35 7.374 -15.174 9.830 1.00 0.00 H new ATOM 0 HG2 GLN A 35 5.976 -14.430 7.471 1.00 0.00 H new ATOM 0 HG3 GLN A 35 7.583 -13.766 7.258 1.00 0.00 H new ATOM 0 HE21 GLN A 35 9.022 -15.212 6.300 1.00 0.00 H new ATOM 0 HE22 GLN A 35 8.941 -16.967 6.481 1.00 0.00 H new ATOM 538 N GLY A 36 5.305 -12.771 12.005 1.00 0.00 N ATOM 539 CA GLY A 36 5.235 -12.757 13.461 1.00 0.00 C ATOM 540 C GLY A 36 3.911 -13.331 13.953 1.00 0.00 C ATOM 541 O GLY A 36 3.837 -13.898 15.043 1.00 0.00 O ATOM 0 H GLY A 36 5.008 -11.905 11.556 1.00 0.00 H new ATOM 0 HA2 GLY A 36 6.061 -13.336 13.873 1.00 0.00 H new ATOM 0 HA3 GLY A 36 5.349 -11.735 13.824 1.00 0.00 H new ATOM 545 N LYS A 37 2.865 -13.181 13.144 1.00 0.00 N ATOM 546 CA LYS A 37 1.549 -13.689 13.518 1.00 0.00 C ATOM 547 C LYS A 37 0.994 -14.608 12.435 1.00 0.00 C ATOM 548 O LYS A 37 0.511 -15.702 12.725 1.00 0.00 O ATOM 549 CB LYS A 37 0.585 -12.524 13.743 1.00 0.00 C ATOM 550 CG LYS A 37 0.994 -11.756 15.001 1.00 0.00 C ATOM 551 CD LYS A 37 -0.236 -11.518 15.877 1.00 0.00 C ATOM 552 CE LYS A 37 -1.233 -10.630 15.128 1.00 0.00 C ATOM 553 NZ LYS A 37 -1.961 -9.771 16.103 1.00 0.00 N ATOM 0 H LYS A 37 2.902 -12.718 12.236 1.00 0.00 H new ATOM 0 HA LYS A 37 1.653 -14.260 14.440 1.00 0.00 H new ATOM 0 HB2 LYS A 37 0.594 -11.859 12.879 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -0.434 -12.897 13.847 1.00 0.00 H new ATOM 0 HG2 LYS A 37 1.745 -12.319 15.555 1.00 0.00 H new ATOM 0 HG3 LYS A 37 1.448 -10.804 14.727 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -0.702 -12.469 16.134 1.00 0.00 H new ATOM 0 HD3 LYS A 37 0.058 -11.044 16.813 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -0.709 -10.010 14.401 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -1.939 -11.246 14.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -2.639 -9.167 15.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -2.472 -10.372 16.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -1.281 -9.173 16.615 1.00 0.00 H new ATOM 567 N ILE A 38 1.058 -14.156 11.187 1.00 0.00 N ATOM 568 CA ILE A 38 0.550 -14.950 10.075 1.00 0.00 C ATOM 569 C ILE A 38 1.697 -15.462 9.208 1.00 0.00 C ATOM 570 O ILE A 38 2.850 -15.073 9.392 1.00 0.00 O ATOM 571 CB ILE A 38 -0.413 -14.111 9.227 1.00 0.00 C ATOM 572 CG1 ILE A 38 -1.514 -15.019 8.667 1.00 0.00 C ATOM 573 CG2 ILE A 38 0.349 -13.452 8.073 1.00 0.00 C ATOM 574 CD1 ILE A 38 -2.032 -14.452 7.343 1.00 0.00 C ATOM 0 H ILE A 38 1.452 -13.253 10.922 1.00 0.00 H new ATOM 0 HA ILE A 38 0.015 -15.808 10.482 1.00 0.00 H new ATOM 0 HB ILE A 38 -0.860 -13.333 9.847 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -1.125 -16.026 8.514 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -2.332 -15.099 9.383 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -0.341 -12.857 7.474 1.00 0.00 H new ATOM 0 HG22 ILE A 38 1.130 -12.807 8.474 1.00 0.00 H new ATOM 0 HG23 ILE A 38 0.800 -14.223 7.448 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -2.814 -15.102 6.950 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -2.438 -13.454 7.509 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -1.213 -14.396 6.626 1.00 0.00 H new ATOM 586 N LYS A 39 1.368 -16.335 8.263 1.00 0.00 N ATOM 587 CA LYS A 39 2.373 -16.897 7.369 1.00 0.00 C ATOM 588 C LYS A 39 2.524 -16.034 6.122 1.00 0.00 C ATOM 589 O LYS A 39 1.539 -15.531 5.580 1.00 0.00 O ATOM 590 CB LYS A 39 1.971 -18.316 6.964 1.00 0.00 C ATOM 591 CG LYS A 39 3.223 -19.175 6.793 1.00 0.00 C ATOM 592 CD LYS A 39 2.811 -20.618 6.499 1.00 0.00 C ATOM 593 CE LYS A 39 2.453 -20.754 5.018 1.00 0.00 C ATOM 594 NZ LYS A 39 3.631 -20.381 4.186 1.00 0.00 N ATOM 0 H LYS A 39 0.418 -16.668 8.096 1.00 0.00 H new ATOM 0 HA LYS A 39 3.328 -16.924 7.895 1.00 0.00 H new ATOM 0 HB2 LYS A 39 1.320 -18.751 7.723 1.00 0.00 H new ATOM 0 HB3 LYS A 39 1.404 -18.292 6.033 1.00 0.00 H new ATOM 0 HG2 LYS A 39 3.836 -18.787 5.979 1.00 0.00 H new ATOM 0 HG3 LYS A 39 3.831 -19.135 7.697 1.00 0.00 H new ATOM 0 HD2 LYS A 39 3.624 -21.298 6.752 1.00 0.00 H new ATOM 0 HD3 LYS A 39 1.958 -20.897 7.118 1.00 0.00 H new ATOM 0 HE2 LYS A 39 2.149 -21.778 4.799 1.00 0.00 H new ATOM 0 HE3 LYS A 39 1.606 -20.111 4.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 3.618 -20.928 3.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 3.593 -19.365 3.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 4.505 -20.589 4.709 1.00 0.00 H new ATOM 608 N LEU A 40 3.762 -15.866 5.670 1.00 0.00 N ATOM 609 CA LEU A 40 4.027 -15.061 4.484 1.00 0.00 C ATOM 610 C LEU A 40 4.833 -15.857 3.462 1.00 0.00 C ATOM 611 O LEU A 40 5.691 -16.662 3.824 1.00 0.00 O ATOM 612 CB LEU A 40 4.798 -13.798 4.870 1.00 0.00 C ATOM 613 CG LEU A 40 4.885 -12.867 3.660 1.00 0.00 C ATOM 614 CD1 LEU A 40 3.506 -12.269 3.374 1.00 0.00 C ATOM 615 CD2 LEU A 40 5.878 -11.740 3.955 1.00 0.00 C ATOM 0 H LEU A 40 4.591 -16.273 6.103 1.00 0.00 H new ATOM 0 HA LEU A 40 3.072 -14.782 4.039 1.00 0.00 H new ATOM 0 HB2 LEU A 40 4.299 -13.292 5.697 1.00 0.00 H new ATOM 0 HB3 LEU A 40 5.799 -14.060 5.214 1.00 0.00 H new ATOM 0 HG LEU A 40 5.222 -13.432 2.791 1.00 0.00 H new ATOM 0 HD11 LEU A 40 3.569 -11.606 2.511 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.798 -13.071 3.164 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.167 -11.704 4.242 1.00 0.00 H new ATOM 0 HD21 LEU A 40 5.941 -11.076 3.093 1.00 0.00 H new ATOM 0 HD22 LEU A 40 5.540 -11.176 4.824 1.00 0.00 H new ATOM 0 HD23 LEU A 40 6.861 -12.165 4.158 1.00 0.00 H new ATOM 627 N ILE A 41 4.550 -15.625 2.184 1.00 0.00 N ATOM 628 CA ILE A 41 5.253 -16.325 1.116 1.00 0.00 C ATOM 629 C ILE A 41 5.970 -15.331 0.207 1.00 0.00 C ATOM 630 O ILE A 41 5.537 -14.188 0.058 1.00 0.00 O ATOM 631 CB ILE A 41 4.264 -17.148 0.291 1.00 0.00 C ATOM 632 CG1 ILE A 41 3.611 -18.205 1.184 1.00 0.00 C ATOM 633 CG2 ILE A 41 5.005 -17.838 -0.855 1.00 0.00 C ATOM 634 CD1 ILE A 41 2.747 -19.134 0.329 1.00 0.00 C ATOM 0 H ILE A 41 3.844 -14.962 1.865 1.00 0.00 H new ATOM 0 HA ILE A 41 5.991 -16.989 1.567 1.00 0.00 H new ATOM 0 HB ILE A 41 3.496 -16.490 -0.116 1.00 0.00 H new ATOM 0 HG12 ILE A 41 4.377 -18.780 1.704 1.00 0.00 H new ATOM 0 HG13 ILE A 41 3.000 -17.724 1.948 1.00 0.00 H new ATOM 0 HG21 ILE A 41 4.300 -18.425 -1.443 1.00 0.00 H new ATOM 0 HG22 ILE A 41 5.471 -17.086 -1.492 1.00 0.00 H new ATOM 0 HG23 ILE A 41 5.773 -18.495 -0.448 1.00 0.00 H new ATOM 0 HD11 ILE A 41 2.282 -19.887 0.966 1.00 0.00 H new ATOM 0 HD12 ILE A 41 1.972 -18.553 -0.171 1.00 0.00 H new ATOM 0 HD13 ILE A 41 3.370 -19.625 -0.418 1.00 0.00 H new ATOM 646 N PHE A 42 7.067 -15.774 -0.399 1.00 0.00 N ATOM 647 CA PHE A 42 7.834 -14.913 -1.291 1.00 0.00 C ATOM 648 C PHE A 42 7.847 -15.480 -2.707 1.00 0.00 C ATOM 649 O PHE A 42 7.967 -16.690 -2.901 1.00 0.00 O ATOM 650 CB PHE A 42 9.270 -14.778 -0.781 1.00 0.00 C ATOM 651 CG PHE A 42 9.255 -14.470 0.697 1.00 0.00 C ATOM 652 CD1 PHE A 42 9.215 -15.514 1.630 1.00 0.00 C ATOM 653 CD2 PHE A 42 9.279 -13.140 1.136 1.00 0.00 C ATOM 654 CE1 PHE A 42 9.201 -15.227 3.000 1.00 0.00 C ATOM 655 CE2 PHE A 42 9.265 -12.855 2.506 1.00 0.00 C ATOM 656 CZ PHE A 42 9.226 -13.899 3.438 1.00 0.00 C ATOM 0 H PHE A 42 7.442 -16.716 -0.290 1.00 0.00 H new ATOM 0 HA PHE A 42 7.361 -13.931 -1.310 1.00 0.00 H new ATOM 0 HB2 PHE A 42 9.820 -15.701 -0.965 1.00 0.00 H new ATOM 0 HB3 PHE A 42 9.786 -13.985 -1.323 1.00 0.00 H new ATOM 0 HD1 PHE A 42 9.195 -16.540 1.293 1.00 0.00 H new ATOM 0 HD2 PHE A 42 9.308 -12.335 0.417 1.00 0.00 H new ATOM 0 HE1 PHE A 42 9.171 -16.032 3.719 1.00 0.00 H new ATOM 0 HE2 PHE A 42 9.284 -11.830 2.844 1.00 0.00 H new ATOM 0 HZ PHE A 42 9.215 -13.679 4.495 1.00 0.00 H new ATOM 666 N GLU A 43 7.723 -14.598 -3.693 1.00 0.00 N ATOM 667 CA GLU A 43 7.724 -15.021 -5.088 1.00 0.00 C ATOM 668 C GLU A 43 8.339 -13.941 -5.973 1.00 0.00 C ATOM 669 O GLU A 43 7.848 -12.814 -6.025 1.00 0.00 O ATOM 670 CB GLU A 43 6.294 -15.308 -5.550 1.00 0.00 C ATOM 671 CG GLU A 43 6.063 -16.820 -5.592 1.00 0.00 C ATOM 672 CD GLU A 43 6.670 -17.406 -6.862 1.00 0.00 C ATOM 673 OE1 GLU A 43 7.337 -16.670 -7.571 1.00 0.00 O ATOM 674 OE2 GLU A 43 6.458 -18.583 -7.109 1.00 0.00 O ATOM 0 H GLU A 43 7.621 -13.593 -3.554 1.00 0.00 H new ATOM 0 HA GLU A 43 8.321 -15.929 -5.172 1.00 0.00 H new ATOM 0 HB2 GLU A 43 5.581 -14.840 -4.872 1.00 0.00 H new ATOM 0 HB3 GLU A 43 6.126 -14.877 -6.537 1.00 0.00 H new ATOM 0 HG2 GLU A 43 6.510 -17.289 -4.716 1.00 0.00 H new ATOM 0 HG3 GLU A 43 4.995 -17.034 -5.558 1.00 0.00 H new ATOM 681 N ASP A 44 9.415 -14.294 -6.666 1.00 0.00 N ATOM 682 CA ASP A 44 10.090 -13.348 -7.546 1.00 0.00 C ATOM 683 C ASP A 44 9.301 -13.160 -8.838 1.00 0.00 C ATOM 684 O ASP A 44 9.002 -14.126 -9.542 1.00 0.00 O ATOM 685 CB ASP A 44 11.498 -13.852 -7.871 1.00 0.00 C ATOM 686 CG ASP A 44 11.676 -15.273 -7.345 1.00 0.00 C ATOM 687 OD1 ASP A 44 11.061 -16.170 -7.898 1.00 0.00 O ATOM 688 OD2 ASP A 44 12.425 -15.442 -6.397 1.00 0.00 O ATOM 0 H ASP A 44 9.837 -15.222 -6.636 1.00 0.00 H new ATOM 0 HA ASP A 44 10.158 -12.388 -7.034 1.00 0.00 H new ATOM 0 HB2 ASP A 44 11.661 -13.831 -8.948 1.00 0.00 H new ATOM 0 HB3 ASP A 44 12.242 -13.193 -7.423 1.00 0.00 H new ATOM 693 N GLY A 45 8.964 -11.912 -9.142 1.00 0.00 N ATOM 694 CA GLY A 45 8.208 -11.607 -10.350 1.00 0.00 C ATOM 695 C GLY A 45 7.044 -10.673 -10.040 1.00 0.00 C ATOM 696 O GLY A 45 6.609 -9.903 -10.897 1.00 0.00 O ATOM 0 H GLY A 45 9.201 -11.100 -8.572 1.00 0.00 H new ATOM 0 HA2 GLY A 45 8.864 -11.145 -11.088 1.00 0.00 H new ATOM 0 HA3 GLY A 45 7.832 -12.530 -10.791 1.00 0.00 H new ATOM 700 N LEU A 46 6.545 -10.745 -8.810 1.00 0.00 N ATOM 701 CA LEU A 46 5.431 -9.898 -8.396 1.00 0.00 C ATOM 702 C LEU A 46 5.798 -8.423 -8.533 1.00 0.00 C ATOM 703 O LEU A 46 6.918 -8.021 -8.218 1.00 0.00 O ATOM 704 CB LEU A 46 5.057 -10.202 -6.944 1.00 0.00 C ATOM 705 CG LEU A 46 4.269 -11.512 -6.882 1.00 0.00 C ATOM 706 CD1 LEU A 46 4.115 -11.949 -5.424 1.00 0.00 C ATOM 707 CD2 LEU A 46 2.884 -11.303 -7.499 1.00 0.00 C ATOM 0 H LEU A 46 6.891 -11.376 -8.087 1.00 0.00 H new ATOM 0 HA LEU A 46 4.579 -10.108 -9.042 1.00 0.00 H new ATOM 0 HB2 LEU A 46 5.957 -10.278 -6.334 1.00 0.00 H new ATOM 0 HB3 LEU A 46 4.461 -9.387 -6.533 1.00 0.00 H new ATOM 0 HG LEU A 46 4.804 -12.283 -7.437 1.00 0.00 H new ATOM 0 HD11 LEU A 46 3.553 -12.882 -5.381 1.00 0.00 H new ATOM 0 HD12 LEU A 46 5.101 -12.098 -4.983 1.00 0.00 H new ATOM 0 HD13 LEU A 46 3.581 -11.179 -4.868 1.00 0.00 H new ATOM 0 HD21 LEU A 46 2.322 -12.236 -7.455 1.00 0.00 H new ATOM 0 HD22 LEU A 46 2.351 -10.532 -6.943 1.00 0.00 H new ATOM 0 HD23 LEU A 46 2.992 -10.993 -8.538 1.00 0.00 H new ATOM 719 N THR A 47 4.849 -7.621 -9.007 1.00 0.00 N ATOM 720 CA THR A 47 5.088 -6.193 -9.185 1.00 0.00 C ATOM 721 C THR A 47 4.717 -5.412 -7.923 1.00 0.00 C ATOM 722 O THR A 47 5.413 -4.467 -7.549 1.00 0.00 O ATOM 723 CB THR A 47 4.283 -5.670 -10.381 1.00 0.00 C ATOM 724 OG1 THR A 47 5.060 -5.802 -11.563 1.00 0.00 O ATOM 725 CG2 THR A 47 3.929 -4.195 -10.168 1.00 0.00 C ATOM 0 H THR A 47 3.915 -7.932 -9.273 1.00 0.00 H new ATOM 0 HA THR A 47 6.151 -6.048 -9.376 1.00 0.00 H new ATOM 0 HB THR A 47 3.364 -6.248 -10.476 1.00 0.00 H new ATOM 0 HG1 THR A 47 4.548 -5.470 -12.330 1.00 0.00 H new ATOM 0 HG21 THR A 47 3.357 -3.831 -11.022 1.00 0.00 H new ATOM 0 HG22 THR A 47 3.333 -4.091 -9.261 1.00 0.00 H new ATOM 0 HG23 THR A 47 4.844 -3.612 -10.069 1.00 0.00 H new ATOM 733 N PRO A 48 3.645 -5.777 -7.263 1.00 0.00 N ATOM 734 CA PRO A 48 3.198 -5.081 -6.028 1.00 0.00 C ATOM 735 C PRO A 48 3.975 -5.541 -4.797 1.00 0.00 C ATOM 736 O PRO A 48 5.035 -6.154 -4.914 1.00 0.00 O ATOM 737 CB PRO A 48 1.721 -5.457 -5.919 1.00 0.00 C ATOM 738 CG PRO A 48 1.585 -6.771 -6.618 1.00 0.00 C ATOM 739 CD PRO A 48 2.744 -6.885 -7.616 1.00 0.00 C ATOM 0 HA PRO A 48 3.364 -4.005 -6.078 1.00 0.00 H new ATOM 0 HB2 PRO A 48 1.413 -5.535 -4.876 1.00 0.00 H new ATOM 0 HB3 PRO A 48 1.089 -4.700 -6.383 1.00 0.00 H new ATOM 0 HG2 PRO A 48 1.615 -7.591 -5.901 1.00 0.00 H new ATOM 0 HG3 PRO A 48 0.627 -6.833 -7.134 1.00 0.00 H new ATOM 0 HD2 PRO A 48 3.247 -7.848 -7.531 1.00 0.00 H new ATOM 0 HD3 PRO A 48 2.392 -6.798 -8.644 1.00 0.00 H new ATOM 747 N ASP A 49 3.442 -5.236 -3.619 1.00 0.00 N ATOM 748 CA ASP A 49 4.099 -5.622 -2.376 1.00 0.00 C ATOM 749 C ASP A 49 3.471 -6.889 -1.802 1.00 0.00 C ATOM 750 O ASP A 49 4.177 -7.814 -1.399 1.00 0.00 O ATOM 751 CB ASP A 49 3.989 -4.489 -1.355 1.00 0.00 C ATOM 752 CG ASP A 49 5.044 -3.425 -1.642 1.00 0.00 C ATOM 753 OD1 ASP A 49 5.656 -3.494 -2.695 1.00 0.00 O ATOM 754 OD2 ASP A 49 5.223 -2.556 -0.805 1.00 0.00 O ATOM 0 H ASP A 49 2.566 -4.728 -3.499 1.00 0.00 H new ATOM 0 HA ASP A 49 5.149 -5.819 -2.591 1.00 0.00 H new ATOM 0 HB2 ASP A 49 2.994 -4.047 -1.396 1.00 0.00 H new ATOM 0 HB3 ASP A 49 4.122 -4.882 -0.347 1.00 0.00 H new ATOM 759 N PHE A 50 2.143 -6.925 -1.770 1.00 0.00 N ATOM 760 CA PHE A 50 1.436 -8.087 -1.242 1.00 0.00 C ATOM 761 C PHE A 50 0.197 -8.391 -2.080 1.00 0.00 C ATOM 762 O PHE A 50 -0.345 -7.509 -2.747 1.00 0.00 O ATOM 763 CB PHE A 50 1.022 -7.834 0.208 1.00 0.00 C ATOM 764 CG PHE A 50 2.253 -7.614 1.053 1.00 0.00 C ATOM 765 CD1 PHE A 50 3.108 -8.686 1.337 1.00 0.00 C ATOM 766 CD2 PHE A 50 2.542 -6.338 1.551 1.00 0.00 C ATOM 767 CE1 PHE A 50 4.251 -8.482 2.120 1.00 0.00 C ATOM 768 CE2 PHE A 50 3.684 -6.134 2.334 1.00 0.00 C ATOM 769 CZ PHE A 50 4.539 -7.205 2.619 1.00 0.00 C ATOM 0 H PHE A 50 1.539 -6.172 -2.100 1.00 0.00 H new ATOM 0 HA PHE A 50 2.108 -8.944 -1.284 1.00 0.00 H new ATOM 0 HB2 PHE A 50 0.369 -6.963 0.264 1.00 0.00 H new ATOM 0 HB3 PHE A 50 0.454 -8.683 0.588 1.00 0.00 H new ATOM 0 HD1 PHE A 50 2.886 -9.670 0.952 1.00 0.00 H new ATOM 0 HD2 PHE A 50 1.884 -5.511 1.331 1.00 0.00 H new ATOM 0 HE1 PHE A 50 4.910 -9.309 2.339 1.00 0.00 H new ATOM 0 HE2 PHE A 50 3.906 -5.149 2.719 1.00 0.00 H new ATOM 0 HZ PHE A 50 5.420 -7.047 3.223 1.00 0.00 H new ATOM 779 N TYR A 51 -0.243 -9.645 -2.041 1.00 0.00 N ATOM 780 CA TYR A 51 -1.418 -10.056 -2.799 1.00 0.00 C ATOM 781 C TYR A 51 -2.366 -10.866 -1.918 1.00 0.00 C ATOM 782 O TYR A 51 -2.218 -12.081 -1.784 1.00 0.00 O ATOM 783 CB TYR A 51 -0.990 -10.900 -4.006 1.00 0.00 C ATOM 784 CG TYR A 51 -1.529 -10.287 -5.277 1.00 0.00 C ATOM 785 CD1 TYR A 51 -2.902 -10.046 -5.408 1.00 0.00 C ATOM 786 CD2 TYR A 51 -0.658 -9.960 -6.322 1.00 0.00 C ATOM 787 CE1 TYR A 51 -3.403 -9.479 -6.586 1.00 0.00 C ATOM 788 CE2 TYR A 51 -1.159 -9.393 -7.500 1.00 0.00 C ATOM 789 CZ TYR A 51 -2.531 -9.153 -7.632 1.00 0.00 C ATOM 790 OH TYR A 51 -3.026 -8.595 -8.793 1.00 0.00 O ATOM 0 H TYR A 51 0.193 -10.389 -1.496 1.00 0.00 H new ATOM 0 HA TYR A 51 -1.937 -9.163 -3.146 1.00 0.00 H new ATOM 0 HB2 TYR A 51 0.097 -10.959 -4.053 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -1.360 -11.920 -3.898 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -3.574 -10.297 -4.601 1.00 0.00 H new ATOM 0 HD2 TYR A 51 0.401 -10.145 -6.220 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -4.462 -9.293 -6.688 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -0.487 -9.141 -8.307 1.00 0.00 H new ATOM 0 HH TYR A 51 -2.288 -8.429 -9.416 1.00 0.00 H new ATOM 800 N LEU A 52 -3.340 -10.186 -1.323 1.00 0.00 N ATOM 801 CA LEU A 52 -4.306 -10.855 -0.459 1.00 0.00 C ATOM 802 C LEU A 52 -5.135 -11.852 -1.263 1.00 0.00 C ATOM 803 O LEU A 52 -5.732 -12.772 -0.704 1.00 0.00 O ATOM 804 CB LEU A 52 -5.232 -9.825 0.191 1.00 0.00 C ATOM 805 CG LEU A 52 -5.972 -10.472 1.363 1.00 0.00 C ATOM 806 CD1 LEU A 52 -5.284 -10.090 2.675 1.00 0.00 C ATOM 807 CD2 LEU A 52 -7.421 -9.979 1.386 1.00 0.00 C ATOM 0 H LEU A 52 -3.481 -9.181 -1.422 1.00 0.00 H new ATOM 0 HA LEU A 52 -3.762 -11.391 0.319 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -4.654 -8.969 0.540 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -5.947 -9.449 -0.541 1.00 0.00 H new ATOM 0 HG LEU A 52 -5.958 -11.556 1.247 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -5.811 -10.551 3.510 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -4.252 -10.440 2.660 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -5.298 -9.006 2.791 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -7.949 -10.440 2.221 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -7.435 -8.895 1.502 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -7.913 -10.251 0.452 1.00 0.00 H new ATOM 819 N SER A 53 -5.165 -11.660 -2.577 1.00 0.00 N ATOM 820 CA SER A 53 -5.922 -12.546 -3.454 1.00 0.00 C ATOM 821 C SER A 53 -5.928 -12.005 -4.881 1.00 0.00 C ATOM 822 O SER A 53 -5.651 -10.827 -5.109 1.00 0.00 O ATOM 823 CB SER A 53 -7.357 -12.680 -2.948 1.00 0.00 C ATOM 824 OG SER A 53 -7.400 -13.651 -1.911 1.00 0.00 O ATOM 0 H SER A 53 -4.677 -10.903 -3.056 1.00 0.00 H new ATOM 0 HA SER A 53 -5.446 -13.527 -3.451 1.00 0.00 H new ATOM 0 HB2 SER A 53 -7.716 -11.720 -2.578 1.00 0.00 H new ATOM 0 HB3 SER A 53 -8.017 -12.973 -3.764 1.00 0.00 H new ATOM 0 HG SER A 53 -6.645 -13.512 -1.302 1.00 0.00 H new ATOM 830 N ASN A 54 -6.240 -12.872 -5.837 1.00 0.00 N ATOM 831 CA ASN A 54 -6.274 -12.469 -7.239 1.00 0.00 C ATOM 832 C ASN A 54 -7.365 -11.427 -7.482 1.00 0.00 C ATOM 833 O ASN A 54 -7.833 -11.257 -8.608 1.00 0.00 O ATOM 834 CB ASN A 54 -6.525 -13.690 -8.126 1.00 0.00 C ATOM 835 CG ASN A 54 -5.547 -13.697 -9.295 1.00 0.00 C ATOM 836 OD1 ASN A 54 -5.937 -13.442 -10.434 1.00 0.00 O ATOM 837 ND2 ASN A 54 -4.291 -13.977 -9.079 1.00 0.00 N ATOM 0 H ASN A 54 -6.472 -13.851 -5.670 1.00 0.00 H new ATOM 0 HA ASN A 54 -5.310 -12.026 -7.489 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -6.412 -14.603 -7.542 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -7.549 -13.674 -8.499 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -3.629 -13.985 -9.855 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -3.971 -14.188 -8.134 1.00 0.00 H new ATOM 844 N ARG A 55 -7.763 -10.732 -6.422 1.00 0.00 N ATOM 845 CA ARG A 55 -8.798 -9.709 -6.536 1.00 0.00 C ATOM 846 C ARG A 55 -8.361 -8.421 -5.841 1.00 0.00 C ATOM 847 O ARG A 55 -8.773 -7.327 -6.227 1.00 0.00 O ATOM 848 CB ARG A 55 -10.098 -10.213 -5.908 1.00 0.00 C ATOM 849 CG ARG A 55 -10.679 -11.335 -6.771 1.00 0.00 C ATOM 850 CD ARG A 55 -11.122 -10.765 -8.119 1.00 0.00 C ATOM 851 NE ARG A 55 -12.378 -11.377 -8.537 1.00 0.00 N ATOM 852 CZ ARG A 55 -13.545 -10.811 -8.252 1.00 0.00 C ATOM 853 NH1 ARG A 55 -13.582 -9.684 -7.595 1.00 0.00 N ATOM 854 NH2 ARG A 55 -14.657 -11.381 -8.632 1.00 0.00 N ATOM 0 H ARG A 55 -7.389 -10.856 -5.481 1.00 0.00 H new ATOM 0 HA ARG A 55 -8.960 -9.499 -7.593 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -9.909 -10.577 -4.898 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -10.815 -9.396 -5.824 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -9.933 -12.116 -6.922 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -11.526 -11.797 -6.264 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -11.243 -9.684 -8.043 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -10.353 -10.947 -8.870 1.00 0.00 H new ATOM 0 HE ARG A 55 -12.360 -12.254 -9.057 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -12.714 -9.237 -7.300 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -14.479 -9.250 -7.377 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -14.629 -12.261 -9.148 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -15.554 -10.946 -8.413 1.00 0.00 H new ATOM 868 N CYS A 56 -7.529 -8.559 -4.812 1.00 0.00 N ATOM 869 CA CYS A 56 -7.050 -7.398 -4.071 1.00 0.00 C ATOM 870 C CYS A 56 -5.540 -7.469 -3.867 1.00 0.00 C ATOM 871 O CYS A 56 -4.956 -8.553 -3.832 1.00 0.00 O ATOM 872 CB CYS A 56 -7.744 -7.325 -2.710 1.00 0.00 C ATOM 873 SG CYS A 56 -6.796 -6.247 -1.608 1.00 0.00 S ATOM 0 H CYS A 56 -7.176 -9.455 -4.475 1.00 0.00 H new ATOM 0 HA CYS A 56 -7.283 -6.505 -4.650 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -8.758 -6.943 -2.827 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -7.827 -8.322 -2.278 1.00 0.00 H new ATOM 0 HG CYS A 56 -7.386 -6.182 -0.451 1.00 0.00 H new ATOM 879 N CYS A 57 -4.914 -6.305 -3.732 1.00 0.00 N ATOM 880 CA CYS A 57 -3.472 -6.235 -3.527 1.00 0.00 C ATOM 881 C CYS A 57 -3.118 -5.026 -2.664 1.00 0.00 C ATOM 882 O CYS A 57 -3.973 -4.188 -2.377 1.00 0.00 O ATOM 883 CB CYS A 57 -2.758 -6.133 -4.877 1.00 0.00 C ATOM 884 SG CYS A 57 -2.486 -4.391 -5.288 1.00 0.00 S ATOM 0 H CYS A 57 -5.381 -5.399 -3.761 1.00 0.00 H new ATOM 0 HA CYS A 57 -3.147 -7.141 -3.016 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -1.805 -6.661 -4.837 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -3.355 -6.612 -5.653 1.00 0.00 H new ATOM 0 HG CYS A 57 -1.878 -4.305 -6.434 1.00 0.00 H new ATOM 890 N ILE A 58 -1.858 -4.940 -2.252 1.00 0.00 N ATOM 891 CA ILE A 58 -1.414 -3.827 -1.420 1.00 0.00 C ATOM 892 C ILE A 58 -0.039 -3.334 -1.862 1.00 0.00 C ATOM 893 O ILE A 58 0.867 -4.130 -2.109 1.00 0.00 O ATOM 894 CB ILE A 58 -1.357 -4.261 0.046 1.00 0.00 C ATOM 895 CG1 ILE A 58 -2.686 -4.911 0.435 1.00 0.00 C ATOM 896 CG2 ILE A 58 -1.110 -3.039 0.932 1.00 0.00 C ATOM 897 CD1 ILE A 58 -2.644 -5.321 1.908 1.00 0.00 C ATOM 0 H ILE A 58 -1.132 -5.620 -2.478 1.00 0.00 H new ATOM 0 HA ILE A 58 -2.129 -3.011 -1.531 1.00 0.00 H new ATOM 0 HB ILE A 58 -0.546 -4.977 0.182 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -3.507 -4.215 0.264 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -2.873 -5.784 -0.191 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -1.070 -3.349 1.976 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -0.164 -2.574 0.655 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -1.920 -2.322 0.797 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -3.591 -5.784 2.184 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -1.833 -6.032 2.065 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -2.477 -4.439 2.527 1.00 0.00 H new ATOM 909 N LEU A 59 0.108 -2.016 -1.958 1.00 0.00 N ATOM 910 CA LEU A 59 1.377 -1.424 -2.369 1.00 0.00 C ATOM 911 C LEU A 59 1.808 -0.345 -1.381 1.00 0.00 C ATOM 912 O LEU A 59 1.058 0.592 -1.102 1.00 0.00 O ATOM 913 CB LEU A 59 1.240 -0.814 -3.766 1.00 0.00 C ATOM 914 CG LEU A 59 2.396 -1.288 -4.649 1.00 0.00 C ATOM 915 CD1 LEU A 59 2.194 -0.775 -6.075 1.00 0.00 C ATOM 916 CD2 LEU A 59 3.714 -0.743 -4.093 1.00 0.00 C ATOM 0 H LEU A 59 -0.630 -1.341 -1.758 1.00 0.00 H new ATOM 0 HA LEU A 59 2.134 -2.208 -2.388 1.00 0.00 H new ATOM 0 HB2 LEU A 59 0.288 -1.105 -4.209 1.00 0.00 H new ATOM 0 HB3 LEU A 59 1.242 0.274 -3.700 1.00 0.00 H new ATOM 0 HG LEU A 59 2.425 -2.378 -4.657 1.00 0.00 H new ATOM 0 HD11 LEU A 59 3.018 -1.113 -6.703 1.00 0.00 H new ATOM 0 HD12 LEU A 59 1.254 -1.160 -6.471 1.00 0.00 H new ATOM 0 HD13 LEU A 59 2.166 0.315 -6.069 1.00 0.00 H new ATOM 0 HD21 LEU A 59 4.540 -1.079 -4.720 1.00 0.00 H new ATOM 0 HD22 LEU A 59 3.683 0.347 -4.086 1.00 0.00 H new ATOM 0 HD23 LEU A 59 3.859 -1.108 -3.076 1.00 0.00 H new ATOM 928 N TYR A 60 3.020 -0.483 -0.854 1.00 0.00 N ATOM 929 CA TYR A 60 3.542 0.486 0.104 1.00 0.00 C ATOM 930 C TYR A 60 4.237 1.635 -0.619 1.00 0.00 C ATOM 931 O TYR A 60 5.100 1.416 -1.469 1.00 0.00 O ATOM 932 CB TYR A 60 4.532 -0.199 1.047 1.00 0.00 C ATOM 933 CG TYR A 60 4.713 0.638 2.291 1.00 0.00 C ATOM 934 CD1 TYR A 60 5.555 1.755 2.266 1.00 0.00 C ATOM 935 CD2 TYR A 60 4.040 0.295 3.470 1.00 0.00 C ATOM 936 CE1 TYR A 60 5.725 2.531 3.420 1.00 0.00 C ATOM 937 CE2 TYR A 60 4.210 1.070 4.625 1.00 0.00 C ATOM 938 CZ TYR A 60 5.052 2.188 4.599 1.00 0.00 C ATOM 939 OH TYR A 60 5.220 2.951 5.736 1.00 0.00 O ATOM 0 H TYR A 60 3.656 -1.250 -1.072 1.00 0.00 H new ATOM 0 HA TYR A 60 2.708 0.887 0.679 1.00 0.00 H new ATOM 0 HB2 TYR A 60 4.168 -1.191 1.314 1.00 0.00 H new ATOM 0 HB3 TYR A 60 5.491 -0.336 0.546 1.00 0.00 H new ATOM 0 HD1 TYR A 60 6.074 2.019 1.357 1.00 0.00 H new ATOM 0 HD2 TYR A 60 3.390 -0.567 3.489 1.00 0.00 H new ATOM 0 HE1 TYR A 60 6.375 3.393 3.400 1.00 0.00 H new ATOM 0 HE2 TYR A 60 3.692 0.805 5.535 1.00 0.00 H new ATOM 0 HH TYR A 60 4.682 2.576 6.464 1.00 0.00 H new ATOM 949 N VAL A 61 3.857 2.862 -0.272 1.00 0.00 N ATOM 950 CA VAL A 61 4.453 4.039 -0.893 1.00 0.00 C ATOM 951 C VAL A 61 5.096 4.932 0.163 1.00 0.00 C ATOM 952 O VAL A 61 4.649 4.972 1.310 1.00 0.00 O ATOM 953 CB VAL A 61 3.386 4.830 -1.652 1.00 0.00 C ATOM 954 CG1 VAL A 61 3.968 6.171 -2.105 1.00 0.00 C ATOM 955 CG2 VAL A 61 2.937 4.032 -2.878 1.00 0.00 C ATOM 0 H VAL A 61 3.145 3.065 0.430 1.00 0.00 H new ATOM 0 HA VAL A 61 5.221 3.707 -1.591 1.00 0.00 H new ATOM 0 HB VAL A 61 2.532 5.007 -0.998 1.00 0.00 H new ATOM 0 HG11 VAL A 61 3.207 6.734 -2.646 1.00 0.00 H new ATOM 0 HG12 VAL A 61 4.290 6.741 -1.233 1.00 0.00 H new ATOM 0 HG13 VAL A 61 4.822 5.995 -2.759 1.00 0.00 H new ATOM 0 HG21 VAL A 61 2.177 4.595 -3.420 1.00 0.00 H new ATOM 0 HG22 VAL A 61 3.792 3.856 -3.531 1.00 0.00 H new ATOM 0 HG23 VAL A 61 2.522 3.076 -2.558 1.00 0.00 H new ATOM 965 N THR A 62 6.147 5.643 -0.229 1.00 0.00 N ATOM 966 CA THR A 62 6.843 6.531 0.695 1.00 0.00 C ATOM 967 C THR A 62 6.936 7.940 0.120 1.00 0.00 C ATOM 968 O THR A 62 7.076 8.120 -1.090 1.00 0.00 O ATOM 969 CB THR A 62 8.251 5.997 0.970 1.00 0.00 C ATOM 970 OG1 THR A 62 9.126 6.415 -0.068 1.00 0.00 O ATOM 971 CG2 THR A 62 8.218 4.468 1.027 1.00 0.00 C ATOM 0 H THR A 62 6.534 5.623 -1.173 1.00 0.00 H new ATOM 0 HA THR A 62 6.279 6.569 1.627 1.00 0.00 H new ATOM 0 HB THR A 62 8.607 6.386 1.924 1.00 0.00 H new ATOM 0 HG1 THR A 62 10.028 6.075 0.108 1.00 0.00 H new ATOM 0 HG21 THR A 62 9.221 4.089 1.223 1.00 0.00 H new ATOM 0 HG22 THR A 62 7.547 4.148 1.824 1.00 0.00 H new ATOM 0 HG23 THR A 62 7.862 4.076 0.074 1.00 0.00 H new ATOM 979 N GLU A 63 6.859 8.938 0.995 1.00 0.00 N ATOM 980 CA GLU A 63 6.936 10.329 0.563 1.00 0.00 C ATOM 981 C GLU A 63 8.058 10.509 -0.454 1.00 0.00 C ATOM 982 O GLU A 63 7.897 11.212 -1.452 1.00 0.00 O ATOM 983 CB GLU A 63 7.188 11.240 1.766 1.00 0.00 C ATOM 984 CG GLU A 63 7.505 12.654 1.277 1.00 0.00 C ATOM 985 CD GLU A 63 9.014 12.850 1.184 1.00 0.00 C ATOM 986 OE1 GLU A 63 9.633 13.031 2.219 1.00 0.00 O ATOM 987 OE2 GLU A 63 9.529 12.816 0.078 1.00 0.00 O ATOM 0 H GLU A 63 6.744 8.811 2.001 1.00 0.00 H new ATOM 0 HA GLU A 63 5.988 10.598 0.098 1.00 0.00 H new ATOM 0 HB2 GLU A 63 6.312 11.256 2.414 1.00 0.00 H new ATOM 0 HB3 GLU A 63 8.017 10.855 2.360 1.00 0.00 H new ATOM 0 HG2 GLU A 63 7.048 12.821 0.302 1.00 0.00 H new ATOM 0 HG3 GLU A 63 7.076 13.388 1.960 1.00 0.00 H new ATOM 994 N ALA A 64 9.192 9.870 -0.194 1.00 0.00 N ATOM 995 CA ALA A 64 10.335 9.967 -1.094 1.00 0.00 C ATOM 996 C ALA A 64 9.882 9.832 -2.543 1.00 0.00 C ATOM 997 O ALA A 64 10.483 10.410 -3.450 1.00 0.00 O ATOM 998 CB ALA A 64 11.349 8.868 -0.772 1.00 0.00 C ATOM 0 H ALA A 64 9.345 9.283 0.626 1.00 0.00 H new ATOM 0 HA ALA A 64 10.802 10.942 -0.957 1.00 0.00 H new ATOM 0 HB1 ALA A 64 12.199 8.948 -1.449 1.00 0.00 H new ATOM 0 HB2 ALA A 64 11.692 8.980 0.257 1.00 0.00 H new ATOM 0 HB3 ALA A 64 10.879 7.892 -0.894 1.00 0.00 H new ATOM 1004 N ASP A 65 8.820 9.064 -2.753 1.00 0.00 N ATOM 1005 CA ASP A 65 8.292 8.857 -4.095 1.00 0.00 C ATOM 1006 C ASP A 65 7.380 10.012 -4.495 1.00 0.00 C ATOM 1007 O ASP A 65 7.400 10.460 -5.641 1.00 0.00 O ATOM 1008 CB ASP A 65 7.515 7.541 -4.153 1.00 0.00 C ATOM 1009 CG ASP A 65 8.480 6.363 -4.079 1.00 0.00 C ATOM 1010 OD1 ASP A 65 9.618 6.530 -4.486 1.00 0.00 O ATOM 1011 OD2 ASP A 65 8.067 5.312 -3.617 1.00 0.00 O ATOM 0 H ASP A 65 8.310 8.577 -2.016 1.00 0.00 H new ATOM 0 HA ASP A 65 9.128 8.813 -4.793 1.00 0.00 H new ATOM 0 HB2 ASP A 65 6.804 7.492 -3.328 1.00 0.00 H new ATOM 0 HB3 ASP A 65 6.937 7.491 -5.076 1.00 0.00 H new ATOM 1016 N LEU A 66 6.585 10.493 -3.544 1.00 0.00 N ATOM 1017 CA LEU A 66 5.677 11.599 -3.818 1.00 0.00 C ATOM 1018 C LEU A 66 6.419 12.734 -4.514 1.00 0.00 C ATOM 1019 O LEU A 66 5.882 13.384 -5.410 1.00 0.00 O ATOM 1020 CB LEU A 66 5.061 12.111 -2.513 1.00 0.00 C ATOM 1021 CG LEU A 66 4.427 13.485 -2.755 1.00 0.00 C ATOM 1022 CD1 LEU A 66 3.090 13.592 -2.013 1.00 0.00 C ATOM 1023 CD2 LEU A 66 5.376 14.573 -2.251 1.00 0.00 C ATOM 0 H LEU A 66 6.551 10.139 -2.588 1.00 0.00 H new ATOM 0 HA LEU A 66 4.883 11.240 -4.473 1.00 0.00 H new ATOM 0 HB2 LEU A 66 4.309 11.409 -2.153 1.00 0.00 H new ATOM 0 HB3 LEU A 66 5.826 12.182 -1.740 1.00 0.00 H new ATOM 0 HG LEU A 66 4.249 13.612 -3.823 1.00 0.00 H new ATOM 0 HD11 LEU A 66 2.651 14.573 -2.194 1.00 0.00 H new ATOM 0 HD12 LEU A 66 2.411 12.819 -2.373 1.00 0.00 H new ATOM 0 HD13 LEU A 66 3.256 13.460 -0.944 1.00 0.00 H new ATOM 0 HD21 LEU A 66 4.929 15.553 -2.421 1.00 0.00 H new ATOM 0 HD22 LEU A 66 5.554 14.435 -1.184 1.00 0.00 H new ATOM 0 HD23 LEU A 66 6.322 14.508 -2.788 1.00 0.00 H new ATOM 1035 N VAL A 67 7.657 12.965 -4.093 1.00 0.00 N ATOM 1036 CA VAL A 67 8.469 14.024 -4.682 1.00 0.00 C ATOM 1037 C VAL A 67 8.382 13.983 -6.205 1.00 0.00 C ATOM 1038 O VAL A 67 8.384 15.023 -6.864 1.00 0.00 O ATOM 1039 CB VAL A 67 9.928 13.865 -4.249 1.00 0.00 C ATOM 1040 CG1 VAL A 67 10.781 14.938 -4.926 1.00 0.00 C ATOM 1041 CG2 VAL A 67 10.028 14.019 -2.729 1.00 0.00 C ATOM 0 H VAL A 67 8.118 12.438 -3.352 1.00 0.00 H new ATOM 0 HA VAL A 67 8.088 14.984 -4.333 1.00 0.00 H new ATOM 0 HB VAL A 67 10.288 12.878 -4.540 1.00 0.00 H new ATOM 0 HG11 VAL A 67 11.820 14.825 -4.618 1.00 0.00 H new ATOM 0 HG12 VAL A 67 10.710 14.830 -6.008 1.00 0.00 H new ATOM 0 HG13 VAL A 67 10.422 15.925 -4.635 1.00 0.00 H new ATOM 0 HG21 VAL A 67 11.067 13.906 -2.419 1.00 0.00 H new ATOM 0 HG22 VAL A 67 9.668 15.006 -2.439 1.00 0.00 H new ATOM 0 HG23 VAL A 67 9.420 13.255 -2.245 1.00 0.00 H new ATOM 1051 N ALA A 68 8.308 12.777 -6.759 1.00 0.00 N ATOM 1052 CA ALA A 68 8.224 12.615 -8.206 1.00 0.00 C ATOM 1053 C ALA A 68 7.295 11.459 -8.562 1.00 0.00 C ATOM 1054 O ALA A 68 7.564 10.306 -8.225 1.00 0.00 O ATOM 1055 CB ALA A 68 9.614 12.350 -8.784 1.00 0.00 C ATOM 0 H ALA A 68 8.304 11.903 -6.232 1.00 0.00 H new ATOM 0 HA ALA A 68 7.823 13.534 -8.633 1.00 0.00 H new ATOM 0 HB1 ALA A 68 9.542 12.230 -9.865 1.00 0.00 H new ATOM 0 HB2 ALA A 68 10.270 13.190 -8.555 1.00 0.00 H new ATOM 0 HB3 ALA A 68 10.023 11.440 -8.345 1.00 0.00 H new ATOM 1061 N GLY A 69 6.200 11.774 -9.248 1.00 0.00 N ATOM 1062 CA GLY A 69 5.239 10.751 -9.645 1.00 0.00 C ATOM 1063 C GLY A 69 5.060 10.730 -11.159 1.00 0.00 C ATOM 1064 O GLY A 69 4.241 9.978 -11.687 1.00 0.00 O ATOM 0 H GLY A 69 5.958 12.721 -9.538 1.00 0.00 H new ATOM 0 HA2 GLY A 69 5.579 9.774 -9.302 1.00 0.00 H new ATOM 0 HA3 GLY A 69 4.280 10.942 -9.164 1.00 0.00 H new ATOM 1068 N ASN A 70 5.832 11.560 -11.853 1.00 0.00 N ATOM 1069 CA ASN A 70 5.751 11.628 -13.307 1.00 0.00 C ATOM 1070 C ASN A 70 6.348 10.372 -13.936 1.00 0.00 C ATOM 1071 O ASN A 70 6.456 10.269 -15.158 1.00 0.00 O ATOM 1072 CB ASN A 70 6.501 12.862 -13.814 1.00 0.00 C ATOM 1073 CG ASN A 70 6.668 13.870 -12.683 1.00 0.00 C ATOM 1074 OD1 ASN A 70 7.721 13.924 -12.048 1.00 0.00 O ATOM 1075 ND2 ASN A 70 5.685 14.679 -12.392 1.00 0.00 N ATOM 0 H ASN A 70 6.516 12.191 -11.435 1.00 0.00 H new ATOM 0 HA ASN A 70 4.701 11.699 -13.592 1.00 0.00 H new ATOM 0 HB2 ASN A 70 7.478 12.571 -14.200 1.00 0.00 H new ATOM 0 HB3 ASN A 70 5.954 13.317 -14.640 1.00 0.00 H new ATOM 0 HD21 ASN A 70 5.789 15.357 -11.637 1.00 0.00 H new ATOM 0 HD22 ASN A 70 4.813 14.633 -12.919 1.00 0.00 H new ATOM 1082 N GLY A 71 6.733 9.420 -13.092 1.00 0.00 N ATOM 1083 CA GLY A 71 7.319 8.174 -13.575 1.00 0.00 C ATOM 1084 C GLY A 71 6.715 6.973 -12.856 1.00 0.00 C ATOM 1085 O GLY A 71 6.563 5.900 -13.439 1.00 0.00 O ATOM 0 H GLY A 71 6.651 9.486 -12.077 1.00 0.00 H new ATOM 0 HA2 GLY A 71 7.153 8.082 -14.648 1.00 0.00 H new ATOM 0 HA3 GLY A 71 8.398 8.191 -13.420 1.00 0.00 H new ATOM 1089 N TYR A 72 6.371 7.161 -11.585 1.00 0.00 N ATOM 1090 CA TYR A 72 5.783 6.083 -10.796 1.00 0.00 C ATOM 1091 C TYR A 72 4.297 5.941 -11.108 1.00 0.00 C ATOM 1092 O TYR A 72 3.760 4.834 -11.123 1.00 0.00 O ATOM 1093 CB TYR A 72 5.967 6.366 -9.304 1.00 0.00 C ATOM 1094 CG TYR A 72 5.993 5.061 -8.545 1.00 0.00 C ATOM 1095 CD1 TYR A 72 4.795 4.389 -8.267 1.00 0.00 C ATOM 1096 CD2 TYR A 72 7.213 4.520 -8.121 1.00 0.00 C ATOM 1097 CE1 TYR A 72 4.818 3.179 -7.566 1.00 0.00 C ATOM 1098 CE2 TYR A 72 7.235 3.309 -7.419 1.00 0.00 C ATOM 1099 CZ TYR A 72 6.038 2.639 -7.142 1.00 0.00 C ATOM 1100 OH TYR A 72 6.061 1.443 -6.451 1.00 0.00 O ATOM 0 H TYR A 72 6.488 8.041 -11.083 1.00 0.00 H new ATOM 0 HA TYR A 72 6.289 5.152 -11.054 1.00 0.00 H new ATOM 0 HB2 TYR A 72 6.894 6.914 -9.138 1.00 0.00 H new ATOM 0 HB3 TYR A 72 5.155 6.995 -8.939 1.00 0.00 H new ATOM 0 HD1 TYR A 72 3.854 4.806 -8.594 1.00 0.00 H new ATOM 0 HD2 TYR A 72 8.137 5.037 -8.335 1.00 0.00 H new ATOM 0 HE1 TYR A 72 3.895 2.661 -7.352 1.00 0.00 H new ATOM 0 HE2 TYR A 72 8.176 2.892 -7.091 1.00 0.00 H new ATOM 0 HH TYR A 72 6.987 1.209 -6.232 1.00 0.00 H new ATOM 1110 N ARG A 73 3.638 7.068 -11.356 1.00 0.00 N ATOM 1111 CA ARG A 73 2.214 7.056 -11.667 1.00 0.00 C ATOM 1112 C ARG A 73 1.890 5.933 -12.647 1.00 0.00 C ATOM 1113 O ARG A 73 0.832 5.309 -12.563 1.00 0.00 O ATOM 1114 CB ARG A 73 1.797 8.399 -12.269 1.00 0.00 C ATOM 1115 CG ARG A 73 0.271 8.470 -12.349 1.00 0.00 C ATOM 1116 CD ARG A 73 -0.146 9.803 -12.973 1.00 0.00 C ATOM 1117 NE ARG A 73 -1.502 10.152 -12.560 1.00 0.00 N ATOM 1118 CZ ARG A 73 -1.778 10.468 -11.298 1.00 0.00 C ATOM 1119 NH1 ARG A 73 -0.828 10.466 -10.404 1.00 0.00 N ATOM 1120 NH2 ARG A 73 -2.997 10.779 -10.956 1.00 0.00 N ATOM 0 H ARG A 73 4.064 7.995 -11.348 1.00 0.00 H new ATOM 0 HA ARG A 73 1.661 6.888 -10.743 1.00 0.00 H new ATOM 0 HB2 ARG A 73 2.178 9.217 -11.658 1.00 0.00 H new ATOM 0 HB3 ARG A 73 2.230 8.514 -13.263 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -0.111 7.642 -12.946 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -0.161 8.372 -11.353 1.00 0.00 H new ATOM 0 HD2 ARG A 73 0.547 10.587 -12.670 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -0.095 9.736 -14.060 1.00 0.00 H new ATOM 0 HE ARG A 73 -2.251 10.154 -13.252 1.00 0.00 H new ATOM 0 HH11 ARG A 73 0.125 10.222 -10.673 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -1.038 10.708 -9.436 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -3.739 10.780 -11.656 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -3.209 11.021 -9.988 1.00 0.00 H new ATOM 1134 N LYS A 74 2.807 5.681 -13.575 1.00 0.00 N ATOM 1135 CA LYS A 74 2.605 4.630 -14.564 1.00 0.00 C ATOM 1136 C LYS A 74 2.528 3.266 -13.886 1.00 0.00 C ATOM 1137 O LYS A 74 1.786 2.387 -14.321 1.00 0.00 O ATOM 1138 CB LYS A 74 3.753 4.633 -15.576 1.00 0.00 C ATOM 1139 CG LYS A 74 3.363 3.783 -16.788 1.00 0.00 C ATOM 1140 CD LYS A 74 4.557 3.671 -17.739 1.00 0.00 C ATOM 1141 CE LYS A 74 4.753 2.208 -18.139 1.00 0.00 C ATOM 1142 NZ LYS A 74 4.930 1.378 -16.914 1.00 0.00 N ATOM 0 H LYS A 74 3.689 6.185 -13.663 1.00 0.00 H new ATOM 0 HA LYS A 74 1.665 4.822 -15.082 1.00 0.00 H new ATOM 0 HB2 LYS A 74 3.974 5.653 -15.889 1.00 0.00 H new ATOM 0 HB3 LYS A 74 4.659 4.237 -15.117 1.00 0.00 H new ATOM 0 HG2 LYS A 74 3.049 2.791 -16.464 1.00 0.00 H new ATOM 0 HG3 LYS A 74 2.515 4.233 -17.304 1.00 0.00 H new ATOM 0 HD2 LYS A 74 4.388 4.282 -18.626 1.00 0.00 H new ATOM 0 HD3 LYS A 74 5.457 4.051 -17.256 1.00 0.00 H new ATOM 0 HE2 LYS A 74 3.892 1.857 -18.708 1.00 0.00 H new ATOM 0 HE3 LYS A 74 5.624 2.110 -18.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 5.563 0.580 -17.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 5.345 1.959 -16.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 4.006 1.015 -16.604 1.00 0.00 H new ATOM 1156 N ARG A 75 3.299 3.100 -12.817 1.00 0.00 N ATOM 1157 CA ARG A 75 3.309 1.839 -12.085 1.00 0.00 C ATOM 1158 C ARG A 75 1.929 1.549 -11.503 1.00 0.00 C ATOM 1159 O ARG A 75 1.498 0.398 -11.445 1.00 0.00 O ATOM 1160 CB ARG A 75 4.342 1.896 -10.957 1.00 0.00 C ATOM 1161 CG ARG A 75 4.585 0.486 -10.412 1.00 0.00 C ATOM 1162 CD ARG A 75 6.079 0.164 -10.473 1.00 0.00 C ATOM 1163 NE ARG A 75 6.592 0.395 -11.818 1.00 0.00 N ATOM 1164 CZ ARG A 75 7.832 0.833 -12.016 1.00 0.00 C ATOM 1165 NH1 ARG A 75 8.615 1.056 -10.996 1.00 0.00 N ATOM 1166 NH2 ARG A 75 8.266 1.039 -13.229 1.00 0.00 N ATOM 0 H ARG A 75 3.920 3.816 -12.440 1.00 0.00 H new ATOM 0 HA ARG A 75 3.575 1.040 -12.777 1.00 0.00 H new ATOM 0 HB2 ARG A 75 5.276 2.320 -11.326 1.00 0.00 H new ATOM 0 HB3 ARG A 75 3.989 2.549 -10.159 1.00 0.00 H new ATOM 0 HG2 ARG A 75 4.229 0.416 -9.384 1.00 0.00 H new ATOM 0 HG3 ARG A 75 4.021 -0.242 -10.995 1.00 0.00 H new ATOM 0 HD2 ARG A 75 6.621 0.784 -9.758 1.00 0.00 H new ATOM 0 HD3 ARG A 75 6.246 -0.874 -10.186 1.00 0.00 H new ATOM 0 HE ARG A 75 5.989 0.218 -12.621 1.00 0.00 H new ATOM 0 HH11 ARG A 75 8.276 0.894 -10.048 1.00 0.00 H new ATOM 0 HH12 ARG A 75 9.566 1.392 -11.147 1.00 0.00 H new ATOM 0 HH21 ARG A 75 7.654 0.864 -14.026 1.00 0.00 H new ATOM 0 HH22 ARG A 75 9.217 1.375 -13.380 1.00 0.00 H new ATOM 1180 N LEU A 76 1.240 2.602 -11.074 1.00 0.00 N ATOM 1181 CA LEU A 76 -0.091 2.448 -10.501 1.00 0.00 C ATOM 1182 C LEU A 76 -1.083 2.008 -11.571 1.00 0.00 C ATOM 1183 O LEU A 76 -1.945 1.163 -11.325 1.00 0.00 O ATOM 1184 CB LEU A 76 -0.552 3.770 -9.886 1.00 0.00 C ATOM 1185 CG LEU A 76 -0.020 3.881 -8.456 1.00 0.00 C ATOM 1186 CD1 LEU A 76 0.157 5.356 -8.092 1.00 0.00 C ATOM 1187 CD2 LEU A 76 -1.016 3.233 -7.491 1.00 0.00 C ATOM 0 H LEU A 76 1.579 3.563 -11.112 1.00 0.00 H new ATOM 0 HA LEU A 76 -0.047 1.684 -9.724 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -0.193 4.607 -10.485 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -1.641 3.823 -9.885 1.00 0.00 H new ATOM 0 HG LEU A 76 0.941 3.371 -8.384 1.00 0.00 H new ATOM 0 HD11 LEU A 76 0.536 5.436 -7.073 1.00 0.00 H new ATOM 0 HD12 LEU A 76 0.865 5.818 -8.780 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -0.804 5.866 -8.163 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -0.638 3.311 -6.472 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -1.976 3.743 -7.562 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -1.143 2.182 -7.751 1.00 0.00 H new ATOM 1199 N VAL A 77 -0.955 2.585 -12.762 1.00 0.00 N ATOM 1200 CA VAL A 77 -1.845 2.244 -13.866 1.00 0.00 C ATOM 1201 C VAL A 77 -1.673 0.780 -14.254 1.00 0.00 C ATOM 1202 O VAL A 77 -2.652 0.052 -14.419 1.00 0.00 O ATOM 1203 CB VAL A 77 -1.545 3.131 -15.075 1.00 0.00 C ATOM 1204 CG1 VAL A 77 -2.480 2.758 -16.227 1.00 0.00 C ATOM 1205 CG2 VAL A 77 -1.763 4.598 -14.697 1.00 0.00 C ATOM 0 H VAL A 77 -0.249 3.286 -12.986 1.00 0.00 H new ATOM 0 HA VAL A 77 -2.873 2.408 -13.544 1.00 0.00 H new ATOM 0 HB VAL A 77 -0.510 2.984 -15.385 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -2.266 3.390 -17.089 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -2.326 1.713 -16.497 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -3.515 2.904 -15.918 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -1.549 5.231 -15.558 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -2.798 4.744 -14.387 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -1.097 4.865 -13.876 1.00 0.00 H new ATOM 1215 N ARG A 78 -0.422 0.354 -14.396 1.00 0.00 N ATOM 1216 CA ARG A 78 -0.134 -1.027 -14.762 1.00 0.00 C ATOM 1217 C ARG A 78 -1.058 -1.979 -14.008 1.00 0.00 C ATOM 1218 O ARG A 78 -1.430 -3.034 -14.521 1.00 0.00 O ATOM 1219 CB ARG A 78 1.324 -1.359 -14.435 1.00 0.00 C ATOM 1220 CG ARG A 78 1.986 -2.022 -15.646 1.00 0.00 C ATOM 1221 CD ARG A 78 1.461 -3.450 -15.796 1.00 0.00 C ATOM 1222 NE ARG A 78 2.045 -4.081 -16.973 1.00 0.00 N ATOM 1223 CZ ARG A 78 1.813 -5.359 -17.254 1.00 0.00 C ATOM 1224 NH1 ARG A 78 1.047 -6.070 -16.472 1.00 0.00 N ATOM 1225 NH2 ARG A 78 2.353 -5.902 -18.309 1.00 0.00 N ATOM 0 H ARG A 78 0.402 0.940 -14.264 1.00 0.00 H new ATOM 0 HA ARG A 78 -0.301 -1.146 -15.833 1.00 0.00 H new ATOM 0 HB2 ARG A 78 1.863 -0.450 -14.166 1.00 0.00 H new ATOM 0 HB3 ARG A 78 1.371 -2.024 -13.573 1.00 0.00 H new ATOM 0 HG2 ARG A 78 1.774 -1.449 -16.549 1.00 0.00 H new ATOM 0 HG3 ARG A 78 3.069 -2.032 -15.522 1.00 0.00 H new ATOM 0 HD2 ARG A 78 1.704 -4.030 -14.906 1.00 0.00 H new ATOM 0 HD3 ARG A 78 0.374 -3.438 -15.882 1.00 0.00 H new ATOM 0 HE ARG A 78 2.642 -3.532 -17.592 1.00 0.00 H new ATOM 0 HH11 ARG A 78 0.627 -5.645 -15.646 1.00 0.00 H new ATOM 0 HH12 ARG A 78 0.869 -7.051 -16.687 1.00 0.00 H new ATOM 0 HH21 ARG A 78 2.953 -5.346 -18.918 1.00 0.00 H new ATOM 0 HH22 ARG A 78 2.175 -6.883 -18.525 1.00 0.00 H new ATOM 1239 N VAL A 79 -1.425 -1.594 -12.790 1.00 0.00 N ATOM 1240 CA VAL A 79 -2.308 -2.417 -11.973 1.00 0.00 C ATOM 1241 C VAL A 79 -3.725 -2.402 -12.536 1.00 0.00 C ATOM 1242 O VAL A 79 -4.302 -3.452 -12.819 1.00 0.00 O ATOM 1243 CB VAL A 79 -2.325 -1.897 -10.534 1.00 0.00 C ATOM 1244 CG1 VAL A 79 -3.326 -2.708 -9.711 1.00 0.00 C ATOM 1245 CG2 VAL A 79 -0.928 -2.037 -9.924 1.00 0.00 C ATOM 0 H VAL A 79 -1.127 -0.724 -12.350 1.00 0.00 H new ATOM 0 HA VAL A 79 -1.933 -3.441 -11.985 1.00 0.00 H new ATOM 0 HB VAL A 79 -2.619 -0.847 -10.530 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -3.339 -2.338 -8.686 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -4.321 -2.607 -10.145 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -3.034 -3.758 -9.714 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -0.940 -1.667 -8.899 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -0.633 -3.086 -9.927 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -0.215 -1.458 -10.511 1.00 0.00 H new ATOM 1255 N ARG A 80 -4.280 -1.205 -12.695 1.00 0.00 N ATOM 1256 CA ARG A 80 -5.630 -1.066 -13.226 1.00 0.00 C ATOM 1257 C ARG A 80 -5.758 -1.792 -14.561 1.00 0.00 C ATOM 1258 O ARG A 80 -6.825 -2.304 -14.901 1.00 0.00 O ATOM 1259 CB ARG A 80 -5.967 0.414 -13.413 1.00 0.00 C ATOM 1260 CG ARG A 80 -7.484 0.605 -13.339 1.00 0.00 C ATOM 1261 CD ARG A 80 -7.939 1.525 -14.474 1.00 0.00 C ATOM 1262 NE ARG A 80 -7.906 0.811 -15.746 1.00 0.00 N ATOM 1263 CZ ARG A 80 -6.914 0.989 -16.615 1.00 0.00 C ATOM 1264 NH1 ARG A 80 -5.935 1.808 -16.338 1.00 0.00 N ATOM 1265 NH2 ARG A 80 -6.919 0.341 -17.747 1.00 0.00 N ATOM 0 H ARG A 80 -3.820 -0.324 -12.466 1.00 0.00 H new ATOM 0 HA ARG A 80 -6.327 -1.510 -12.516 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -5.477 1.010 -12.643 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -5.592 0.765 -14.374 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -7.987 -0.359 -13.415 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -7.761 1.034 -12.376 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -8.949 1.885 -14.277 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -7.292 2.401 -14.523 1.00 0.00 H new ATOM 0 HE ARG A 80 -8.659 0.162 -15.974 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -5.929 2.314 -15.453 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -5.177 1.941 -17.007 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -7.682 -0.300 -17.964 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -6.160 0.475 -18.415 1.00 0.00 H new ATOM 1279 N ASN A 81 -4.663 -1.832 -15.314 1.00 0.00 N ATOM 1280 CA ASN A 81 -4.665 -2.499 -16.611 1.00 0.00 C ATOM 1281 C ASN A 81 -5.152 -3.938 -16.471 1.00 0.00 C ATOM 1282 O ASN A 81 -6.028 -4.382 -17.213 1.00 0.00 O ATOM 1283 CB ASN A 81 -3.257 -2.490 -17.206 1.00 0.00 C ATOM 1284 CG ASN A 81 -3.334 -2.500 -18.728 1.00 0.00 C ATOM 1285 OD1 ASN A 81 -3.502 -1.450 -19.350 1.00 0.00 O ATOM 1286 ND2 ASN A 81 -3.222 -3.631 -19.371 1.00 0.00 N ATOM 0 H ASN A 81 -3.770 -1.414 -15.051 1.00 0.00 H new ATOM 0 HA ASN A 81 -5.342 -1.961 -17.275 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -2.716 -1.607 -16.867 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -2.700 -3.359 -16.856 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -3.274 -3.646 -20.390 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -3.083 -4.500 -18.855 1.00 0.00 H new ATOM 1293 N SER A 82 -4.579 -4.662 -15.514 1.00 0.00 N ATOM 1294 CA SER A 82 -4.965 -6.049 -15.287 1.00 0.00 C ATOM 1295 C SER A 82 -6.432 -6.259 -15.647 1.00 0.00 C ATOM 1296 O SER A 82 -6.751 -6.814 -16.698 1.00 0.00 O ATOM 1297 CB SER A 82 -4.737 -6.421 -13.821 1.00 0.00 C ATOM 1298 OG SER A 82 -5.323 -5.429 -12.989 1.00 0.00 O ATOM 0 H SER A 82 -3.852 -4.314 -14.889 1.00 0.00 H new ATOM 0 HA SER A 82 -4.351 -6.688 -15.922 1.00 0.00 H new ATOM 0 HB2 SER A 82 -5.176 -7.396 -13.609 1.00 0.00 H new ATOM 0 HB3 SER A 82 -3.669 -6.500 -13.616 1.00 0.00 H new ATOM 0 HG SER A 82 -4.764 -4.624 -12.996 1.00 0.00 H new ATOM 1304 N ASN A 83 -7.321 -5.808 -14.768 1.00 0.00 N ATOM 1305 CA ASN A 83 -8.754 -5.945 -15.003 1.00 0.00 C ATOM 1306 C ASN A 83 -9.534 -4.971 -14.126 1.00 0.00 C ATOM 1307 O ASN A 83 -9.809 -3.841 -14.531 1.00 0.00 O ATOM 1308 CB ASN A 83 -9.201 -7.376 -14.698 1.00 0.00 C ATOM 1309 CG ASN A 83 -10.718 -7.427 -14.559 1.00 0.00 C ATOM 1310 OD1 ASN A 83 -11.245 -8.232 -13.790 1.00 0.00 O ATOM 1311 ND2 ASN A 83 -11.457 -6.611 -15.259 1.00 0.00 N ATOM 0 H ASN A 83 -7.077 -5.347 -13.891 1.00 0.00 H new ATOM 0 HA ASN A 83 -8.954 -5.718 -16.050 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -8.877 -8.045 -15.495 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -8.731 -7.725 -13.779 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -12.473 -6.639 -15.170 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -11.019 -5.945 -15.895 1.00 0.00 H new ATOM 1318 N ASN A 84 -9.889 -5.418 -12.926 1.00 0.00 N ATOM 1319 CA ASN A 84 -10.640 -4.578 -12.000 1.00 0.00 C ATOM 1320 C ASN A 84 -10.328 -4.969 -10.559 1.00 0.00 C ATOM 1321 O ASN A 84 -11.234 -5.158 -9.746 1.00 0.00 O ATOM 1322 CB ASN A 84 -12.137 -4.730 -12.262 1.00 0.00 C ATOM 1323 CG ASN A 84 -12.654 -6.007 -11.608 1.00 0.00 C ATOM 1324 OD1 ASN A 84 -12.416 -7.104 -12.114 1.00 0.00 O ATOM 1325 ND2 ASN A 84 -13.350 -5.929 -10.508 1.00 0.00 N ATOM 0 H ASN A 84 -9.671 -6.350 -12.574 1.00 0.00 H new ATOM 0 HA ASN A 84 -10.349 -3.539 -12.154 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -12.673 -3.867 -11.867 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -12.326 -4.759 -13.335 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -13.699 -6.778 -10.064 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -13.545 -5.019 -10.092 1.00 0.00 H new ATOM 1332 N LEU A 85 -9.042 -5.093 -10.251 1.00 0.00 N ATOM 1333 CA LEU A 85 -8.619 -5.468 -8.906 1.00 0.00 C ATOM 1334 C LEU A 85 -8.901 -4.345 -7.913 1.00 0.00 C ATOM 1335 O LEU A 85 -8.973 -3.174 -8.288 1.00 0.00 O ATOM 1336 CB LEU A 85 -7.122 -5.789 -8.898 1.00 0.00 C ATOM 1337 CG LEU A 85 -6.791 -6.741 -10.049 1.00 0.00 C ATOM 1338 CD1 LEU A 85 -5.344 -6.522 -10.491 1.00 0.00 C ATOM 1339 CD2 LEU A 85 -6.964 -8.187 -9.580 1.00 0.00 C ATOM 0 H LEU A 85 -8.278 -4.941 -10.909 1.00 0.00 H new ATOM 0 HA LEU A 85 -9.185 -6.350 -8.607 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -6.543 -4.871 -8.995 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -6.843 -6.242 -7.947 1.00 0.00 H new ATOM 0 HG LEU A 85 -7.462 -6.546 -10.886 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -5.107 -7.200 -11.311 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -5.217 -5.492 -10.824 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -4.674 -6.718 -9.654 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -6.728 -8.866 -10.400 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -6.293 -8.381 -8.744 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -7.995 -8.346 -9.262 1.00 0.00 H new ATOM 1351 N LYS A 86 -9.055 -4.712 -6.645 1.00 0.00 N ATOM 1352 CA LYS A 86 -9.324 -3.733 -5.598 1.00 0.00 C ATOM 1353 C LYS A 86 -8.311 -3.879 -4.466 1.00 0.00 C ATOM 1354 O LYS A 86 -8.536 -4.624 -3.513 1.00 0.00 O ATOM 1355 CB LYS A 86 -10.738 -3.936 -5.050 1.00 0.00 C ATOM 1356 CG LYS A 86 -11.053 -5.432 -4.990 1.00 0.00 C ATOM 1357 CD LYS A 86 -12.457 -5.640 -4.419 1.00 0.00 C ATOM 1358 CE LYS A 86 -12.749 -7.139 -4.315 1.00 0.00 C ATOM 1359 NZ LYS A 86 -13.724 -7.381 -3.213 1.00 0.00 N ATOM 0 H LYS A 86 -8.998 -5.677 -6.318 1.00 0.00 H new ATOM 0 HA LYS A 86 -9.240 -2.733 -6.023 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -10.821 -3.496 -4.056 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -11.462 -3.426 -5.685 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -10.987 -5.868 -5.987 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -10.318 -5.944 -4.369 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -12.534 -5.175 -3.436 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -13.196 -5.158 -5.059 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -13.151 -7.508 -5.258 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -11.826 -7.688 -4.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -13.922 -8.399 -3.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -13.323 -7.043 -2.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -14.607 -6.869 -3.412 1.00 0.00 H new ATOM 1373 N GLY A 87 -7.192 -3.170 -4.583 1.00 0.00 N ATOM 1374 CA GLY A 87 -6.150 -3.238 -3.565 1.00 0.00 C ATOM 1375 C GLY A 87 -6.070 -1.943 -2.765 1.00 0.00 C ATOM 1376 O GLY A 87 -6.778 -0.978 -3.051 1.00 0.00 O ATOM 0 H GLY A 87 -6.985 -2.548 -5.364 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -6.350 -4.072 -2.892 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -5.188 -3.435 -4.039 1.00 0.00 H new ATOM 1380 N ILE A 88 -5.199 -1.934 -1.759 1.00 0.00 N ATOM 1381 CA ILE A 88 -5.028 -0.757 -0.916 1.00 0.00 C ATOM 1382 C ILE A 88 -3.633 -0.166 -1.094 1.00 0.00 C ATOM 1383 O ILE A 88 -2.631 -0.878 -1.010 1.00 0.00 O ATOM 1384 CB ILE A 88 -5.239 -1.137 0.550 1.00 0.00 C ATOM 1385 CG1 ILE A 88 -6.705 -1.516 0.771 1.00 0.00 C ATOM 1386 CG2 ILE A 88 -4.880 0.051 1.444 1.00 0.00 C ATOM 1387 CD1 ILE A 88 -6.781 -2.824 1.562 1.00 0.00 C ATOM 0 H ILE A 88 -4.604 -2.724 -1.510 1.00 0.00 H new ATOM 0 HA ILE A 88 -5.765 -0.010 -1.211 1.00 0.00 H new ATOM 0 HB ILE A 88 -4.601 -1.985 0.801 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -7.219 -0.721 1.312 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -7.211 -1.629 -0.188 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -5.031 -0.221 2.489 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -3.836 0.322 1.287 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -5.517 0.900 1.195 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -7.825 -3.094 1.719 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -6.282 -3.616 1.004 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -6.290 -2.695 2.527 1.00 0.00 H new ATOM 1399 N VAL A 89 -3.575 1.138 -1.339 1.00 0.00 N ATOM 1400 CA VAL A 89 -2.295 1.814 -1.527 1.00 0.00 C ATOM 1401 C VAL A 89 -1.929 2.619 -0.283 1.00 0.00 C ATOM 1402 O VAL A 89 -2.526 3.660 -0.008 1.00 0.00 O ATOM 1403 CB VAL A 89 -2.370 2.746 -2.737 1.00 0.00 C ATOM 1404 CG1 VAL A 89 -1.253 3.787 -2.654 1.00 0.00 C ATOM 1405 CG2 VAL A 89 -2.207 1.926 -4.020 1.00 0.00 C ATOM 0 H VAL A 89 -4.392 1.745 -1.412 1.00 0.00 H new ATOM 0 HA VAL A 89 -1.527 1.060 -1.698 1.00 0.00 H new ATOM 0 HB VAL A 89 -3.335 3.252 -2.745 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -1.309 4.450 -3.517 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -1.367 4.371 -1.740 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -0.286 3.283 -2.645 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -2.260 2.588 -4.884 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -1.241 1.421 -4.009 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -3.004 1.185 -4.082 1.00 0.00 H new ATOM 1415 N VAL A 90 -0.946 2.129 0.466 1.00 0.00 N ATOM 1416 CA VAL A 90 -0.511 2.811 1.680 1.00 0.00 C ATOM 1417 C VAL A 90 0.604 3.804 1.369 1.00 0.00 C ATOM 1418 O VAL A 90 1.454 3.552 0.516 1.00 0.00 O ATOM 1419 CB VAL A 90 -0.016 1.788 2.703 1.00 0.00 C ATOM 1420 CG1 VAL A 90 0.396 2.506 3.988 1.00 0.00 C ATOM 1421 CG2 VAL A 90 -1.139 0.796 3.012 1.00 0.00 C ATOM 0 H VAL A 90 -0.439 1.269 0.256 1.00 0.00 H new ATOM 0 HA VAL A 90 -1.360 3.356 2.092 1.00 0.00 H new ATOM 0 HB VAL A 90 0.843 1.254 2.296 1.00 0.00 H new ATOM 0 HG11 VAL A 90 0.749 1.775 4.716 1.00 0.00 H new ATOM 0 HG12 VAL A 90 1.195 3.214 3.769 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -0.461 3.041 4.397 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -0.789 0.065 3.741 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -1.996 1.332 3.419 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -1.433 0.283 2.097 1.00 0.00 H new ATOM 1431 N VAL A 91 0.593 4.934 2.070 1.00 0.00 N ATOM 1432 CA VAL A 91 1.609 5.959 1.863 1.00 0.00 C ATOM 1433 C VAL A 91 2.232 6.371 3.193 1.00 0.00 C ATOM 1434 O VAL A 91 1.550 6.437 4.216 1.00 0.00 O ATOM 1435 CB VAL A 91 0.985 7.181 1.187 1.00 0.00 C ATOM 1436 CG1 VAL A 91 2.053 8.260 0.995 1.00 0.00 C ATOM 1437 CG2 VAL A 91 0.423 6.774 -0.177 1.00 0.00 C ATOM 0 H VAL A 91 -0.102 5.161 2.781 1.00 0.00 H new ATOM 0 HA VAL A 91 2.389 5.549 1.222 1.00 0.00 H new ATOM 0 HB VAL A 91 0.182 7.572 1.812 1.00 0.00 H new ATOM 0 HG11 VAL A 91 1.608 9.131 0.513 1.00 0.00 H new ATOM 0 HG12 VAL A 91 2.457 8.549 1.965 1.00 0.00 H new ATOM 0 HG13 VAL A 91 2.856 7.870 0.369 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -0.022 7.643 -0.661 1.00 0.00 H new ATOM 0 HG22 VAL A 91 1.228 6.384 -0.800 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -0.337 6.004 -0.042 1.00 0.00 H new ATOM 1447 N GLU A 92 3.531 6.642 3.170 1.00 0.00 N ATOM 1448 CA GLU A 92 4.243 7.042 4.379 1.00 0.00 C ATOM 1449 C GLU A 92 4.481 8.549 4.387 1.00 0.00 C ATOM 1450 O GLU A 92 5.201 9.078 3.541 1.00 0.00 O ATOM 1451 CB GLU A 92 5.585 6.310 4.453 1.00 0.00 C ATOM 1452 CG GLU A 92 5.927 6.006 5.913 1.00 0.00 C ATOM 1453 CD GLU A 92 7.432 5.817 6.065 1.00 0.00 C ATOM 1454 OE1 GLU A 92 8.095 5.662 5.053 1.00 0.00 O ATOM 1455 OE2 GLU A 92 7.900 5.831 7.191 1.00 0.00 O ATOM 0 H GLU A 92 4.111 6.593 2.333 1.00 0.00 H new ATOM 0 HA GLU A 92 3.635 6.779 5.244 1.00 0.00 H new ATOM 0 HB2 GLU A 92 5.537 5.384 3.880 1.00 0.00 H new ATOM 0 HB3 GLU A 92 6.369 6.921 4.006 1.00 0.00 H new ATOM 0 HG2 GLU A 92 5.588 6.821 6.552 1.00 0.00 H new ATOM 0 HG3 GLU A 92 5.404 5.107 6.238 1.00 0.00 H new ATOM 1462 N LYS A 93 3.873 9.236 5.350 1.00 0.00 N ATOM 1463 CA LYS A 93 4.032 10.682 5.454 1.00 0.00 C ATOM 1464 C LYS A 93 5.436 11.032 5.936 1.00 0.00 C ATOM 1465 O LYS A 93 6.010 10.332 6.770 1.00 0.00 O ATOM 1466 CB LYS A 93 2.998 11.258 6.425 1.00 0.00 C ATOM 1467 CG LYS A 93 3.117 10.556 7.779 1.00 0.00 C ATOM 1468 CD LYS A 93 1.753 10.550 8.473 1.00 0.00 C ATOM 1469 CE LYS A 93 1.300 11.990 8.723 1.00 0.00 C ATOM 1470 NZ LYS A 93 0.024 11.984 9.493 1.00 0.00 N ATOM 0 H LYS A 93 3.272 8.820 6.062 1.00 0.00 H new ATOM 0 HA LYS A 93 3.879 11.116 4.466 1.00 0.00 H new ATOM 0 HB2 LYS A 93 3.155 12.330 6.545 1.00 0.00 H new ATOM 0 HB3 LYS A 93 1.994 11.126 6.023 1.00 0.00 H new ATOM 0 HG2 LYS A 93 3.471 9.534 7.641 1.00 0.00 H new ATOM 0 HG3 LYS A 93 3.852 11.066 8.402 1.00 0.00 H new ATOM 0 HD2 LYS A 93 1.021 10.030 7.855 1.00 0.00 H new ATOM 0 HD3 LYS A 93 1.816 10.008 9.417 1.00 0.00 H new ATOM 0 HE2 LYS A 93 2.067 12.533 9.275 1.00 0.00 H new ATOM 0 HE3 LYS A 93 1.162 12.509 7.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -0.284 12.963 9.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -0.707 11.481 8.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 0.171 11.504 10.404 1.00 0.00 H new ATOM 1484 N THR A 94 5.984 12.119 5.404 1.00 0.00 N ATOM 1485 CA THR A 94 7.323 12.553 5.786 1.00 0.00 C ATOM 1486 C THR A 94 7.360 14.065 5.975 1.00 0.00 C ATOM 1487 O THR A 94 7.269 14.563 7.097 1.00 0.00 O ATOM 1488 CB THR A 94 8.333 12.146 4.711 1.00 0.00 C ATOM 1489 OG1 THR A 94 8.286 10.737 4.529 1.00 0.00 O ATOM 1490 CG2 THR A 94 9.739 12.560 5.148 1.00 0.00 C ATOM 0 H THR A 94 5.526 12.712 4.712 1.00 0.00 H new ATOM 0 HA THR A 94 7.585 12.072 6.729 1.00 0.00 H new ATOM 0 HB THR A 94 8.086 12.642 3.772 1.00 0.00 H new ATOM 0 HG1 THR A 94 9.114 10.435 4.100 1.00 0.00 H new ATOM 0 HG21 THR A 94 10.458 12.270 4.382 1.00 0.00 H new ATOM 0 HG22 THR A 94 9.773 13.641 5.287 1.00 0.00 H new ATOM 0 HG23 THR A 94 9.989 12.065 6.086 1.00 0.00 H new ATOM 1498 N ARG A 95 7.496 14.788 4.870 1.00 0.00 N ATOM 1499 CA ARG A 95 7.544 16.245 4.925 1.00 0.00 C ATOM 1500 C ARG A 95 7.001 16.845 3.634 1.00 0.00 C ATOM 1501 O ARG A 95 6.213 17.790 3.661 1.00 0.00 O ATOM 1502 CB ARG A 95 8.984 16.714 5.149 1.00 0.00 C ATOM 1503 CG ARG A 95 9.773 16.588 3.844 1.00 0.00 C ATOM 1504 CD ARG A 95 11.253 16.864 4.113 1.00 0.00 C ATOM 1505 NE ARG A 95 11.442 18.249 4.528 1.00 0.00 N ATOM 1506 CZ ARG A 95 12.644 18.709 4.859 1.00 0.00 C ATOM 1507 NH1 ARG A 95 13.681 17.919 4.815 1.00 0.00 N ATOM 1508 NH2 ARG A 95 12.787 19.953 5.227 1.00 0.00 N ATOM 0 H ARG A 95 7.574 14.394 3.932 1.00 0.00 H new ATOM 0 HA ARG A 95 6.924 16.581 5.756 1.00 0.00 H new ATOM 0 HB2 ARG A 95 8.991 17.749 5.492 1.00 0.00 H new ATOM 0 HB3 ARG A 95 9.455 16.116 5.930 1.00 0.00 H new ATOM 0 HG2 ARG A 95 9.649 15.589 3.427 1.00 0.00 H new ATOM 0 HG3 ARG A 95 9.389 17.292 3.105 1.00 0.00 H new ATOM 0 HD2 ARG A 95 11.620 16.192 4.888 1.00 0.00 H new ATOM 0 HD3 ARG A 95 11.837 16.664 3.214 1.00 0.00 H new ATOM 0 HE ARG A 95 10.638 18.875 4.565 1.00 0.00 H new ATOM 0 HH11 ARG A 95 13.570 16.947 4.526 1.00 0.00 H new ATOM 0 HH12 ARG A 95 14.603 18.273 5.069 1.00 0.00 H new ATOM 0 HH21 ARG A 95 11.976 20.571 5.260 1.00 0.00 H new ATOM 0 HH22 ARG A 95 13.709 20.307 5.481 1.00 0.00 H new ATOM 1522 N MET A 96 7.422 16.285 2.507 1.00 0.00 N ATOM 1523 CA MET A 96 6.965 16.767 1.211 1.00 0.00 C ATOM 1524 C MET A 96 5.684 16.050 0.807 1.00 0.00 C ATOM 1525 O MET A 96 5.095 16.343 -0.235 1.00 0.00 O ATOM 1526 CB MET A 96 8.043 16.525 0.152 1.00 0.00 C ATOM 1527 CG MET A 96 9.264 17.394 0.456 1.00 0.00 C ATOM 1528 SD MET A 96 9.927 18.063 -1.090 1.00 0.00 S ATOM 1529 CE MET A 96 10.491 19.648 -0.427 1.00 0.00 C ATOM 0 H MET A 96 8.075 15.502 2.464 1.00 0.00 H new ATOM 0 HA MET A 96 6.768 17.836 1.286 1.00 0.00 H new ATOM 0 HB2 MET A 96 8.327 15.473 0.141 1.00 0.00 H new ATOM 0 HB3 MET A 96 7.654 16.761 -0.838 1.00 0.00 H new ATOM 0 HG2 MET A 96 8.987 18.207 1.128 1.00 0.00 H new ATOM 0 HG3 MET A 96 10.026 16.804 0.966 1.00 0.00 H new ATOM 0 HE1 MET A 96 10.943 20.236 -1.225 1.00 0.00 H new ATOM 0 HE2 MET A 96 9.642 20.192 -0.012 1.00 0.00 H new ATOM 0 HE3 MET A 96 11.228 19.473 0.357 1.00 0.00 H new ATOM 1539 N SER A 97 5.258 15.106 1.640 1.00 0.00 N ATOM 1540 CA SER A 97 4.047 14.347 1.365 1.00 0.00 C ATOM 1541 C SER A 97 2.814 15.230 1.531 1.00 0.00 C ATOM 1542 O SER A 97 2.170 15.604 0.552 1.00 0.00 O ATOM 1543 CB SER A 97 3.955 13.150 2.311 1.00 0.00 C ATOM 1544 OG SER A 97 5.084 13.149 3.177 1.00 0.00 O ATOM 0 H SER A 97 5.732 14.850 2.506 1.00 0.00 H new ATOM 0 HA SER A 97 4.088 13.991 0.336 1.00 0.00 H new ATOM 0 HB2 SER A 97 3.035 13.202 2.893 1.00 0.00 H new ATOM 0 HB3 SER A 97 3.919 12.222 1.740 1.00 0.00 H new ATOM 0 HG SER A 97 5.039 13.924 3.775 1.00 0.00 H new ATOM 1550 N GLU A 98 2.494 15.561 2.777 1.00 0.00 N ATOM 1551 CA GLU A 98 1.337 16.404 3.059 1.00 0.00 C ATOM 1552 C GLU A 98 1.236 17.535 2.041 1.00 0.00 C ATOM 1553 O GLU A 98 0.164 18.106 1.837 1.00 0.00 O ATOM 1554 CB GLU A 98 1.454 16.995 4.465 1.00 0.00 C ATOM 1555 CG GLU A 98 2.836 17.631 4.636 1.00 0.00 C ATOM 1556 CD GLU A 98 3.714 16.745 5.512 1.00 0.00 C ATOM 1557 OE1 GLU A 98 3.334 16.503 6.645 1.00 0.00 O ATOM 1558 OE2 GLU A 98 4.754 16.321 5.036 1.00 0.00 O ATOM 0 H GLU A 98 3.014 15.262 3.602 1.00 0.00 H new ATOM 0 HA GLU A 98 0.439 15.789 2.994 1.00 0.00 H new ATOM 0 HB2 GLU A 98 0.676 17.742 4.623 1.00 0.00 H new ATOM 0 HB3 GLU A 98 1.305 16.216 5.213 1.00 0.00 H new ATOM 0 HG2 GLU A 98 3.304 17.771 3.662 1.00 0.00 H new ATOM 0 HG3 GLU A 98 2.737 18.619 5.087 1.00 0.00 H new ATOM 1565 N GLN A 99 2.360 17.859 1.412 1.00 0.00 N ATOM 1566 CA GLN A 99 2.390 18.930 0.421 1.00 0.00 C ATOM 1567 C GLN A 99 1.690 18.505 -0.866 1.00 0.00 C ATOM 1568 O GLN A 99 0.786 19.189 -1.345 1.00 0.00 O ATOM 1569 CB GLN A 99 3.839 19.311 0.110 1.00 0.00 C ATOM 1570 CG GLN A 99 4.504 19.859 1.375 1.00 0.00 C ATOM 1571 CD GLN A 99 4.067 21.300 1.610 1.00 0.00 C ATOM 1572 OE1 GLN A 99 3.818 22.073 0.590 1.00 0.00 O flip ATOM 1573 NE2 GLN A 99 3.949 21.734 2.757 1.00 0.00 N flip ATOM 0 H GLN A 99 3.257 17.400 1.568 1.00 0.00 H new ATOM 0 HA GLN A 99 1.864 19.790 0.835 1.00 0.00 H new ATOM 0 HB2 GLN A 99 4.385 18.441 -0.253 1.00 0.00 H new ATOM 0 HB3 GLN A 99 3.868 20.059 -0.682 1.00 0.00 H new ATOM 0 HG2 GLN A 99 4.234 19.244 2.233 1.00 0.00 H new ATOM 0 HG3 GLN A 99 5.588 19.810 1.276 1.00 0.00 H new ATOM 0 HE21 GLN A 99 4.144 21.128 3.554 1.00 0.00 H new ATOM 0 HE22 GLN A 99 3.656 22.699 2.910 1.00 0.00 H new ATOM 1582 N TYR A 100 2.122 17.380 -1.427 1.00 0.00 N ATOM 1583 CA TYR A 100 1.535 16.884 -2.665 1.00 0.00 C ATOM 1584 C TYR A 100 0.855 15.534 -2.447 1.00 0.00 C ATOM 1585 O TYR A 100 0.496 14.851 -3.406 1.00 0.00 O ATOM 1586 CB TYR A 100 2.622 16.744 -3.731 1.00 0.00 C ATOM 1587 CG TYR A 100 2.084 17.203 -5.065 1.00 0.00 C ATOM 1588 CD1 TYR A 100 1.963 18.571 -5.337 1.00 0.00 C ATOM 1589 CD2 TYR A 100 1.710 16.261 -6.029 1.00 0.00 C ATOM 1590 CE1 TYR A 100 1.466 18.997 -6.575 1.00 0.00 C ATOM 1591 CE2 TYR A 100 1.214 16.687 -7.267 1.00 0.00 C ATOM 1592 CZ TYR A 100 1.091 18.054 -7.540 1.00 0.00 C ATOM 1593 OH TYR A 100 0.602 18.473 -8.761 1.00 0.00 O ATOM 0 H TYR A 100 2.870 16.800 -1.047 1.00 0.00 H new ATOM 0 HA TYR A 100 0.782 17.599 -2.997 1.00 0.00 H new ATOM 0 HB2 TYR A 100 3.494 17.337 -3.456 1.00 0.00 H new ATOM 0 HB3 TYR A 100 2.950 15.706 -3.797 1.00 0.00 H new ATOM 0 HD1 TYR A 100 2.253 19.298 -4.592 1.00 0.00 H new ATOM 0 HD2 TYR A 100 1.804 15.206 -5.818 1.00 0.00 H new ATOM 0 HE1 TYR A 100 1.372 20.052 -6.785 1.00 0.00 H new ATOM 0 HE2 TYR A 100 0.926 15.960 -8.012 1.00 0.00 H new ATOM 0 HH TYR A 100 0.391 17.692 -9.314 1.00 0.00 H new ATOM 1603 N PHE A 101 0.679 15.155 -1.186 1.00 0.00 N ATOM 1604 CA PHE A 101 0.038 13.884 -0.869 1.00 0.00 C ATOM 1605 C PHE A 101 -1.402 13.865 -1.382 1.00 0.00 C ATOM 1606 O PHE A 101 -1.752 13.050 -2.236 1.00 0.00 O ATOM 1607 CB PHE A 101 0.066 13.642 0.645 1.00 0.00 C ATOM 1608 CG PHE A 101 -1.113 12.784 1.045 1.00 0.00 C ATOM 1609 CD1 PHE A 101 -1.461 11.670 0.271 1.00 0.00 C ATOM 1610 CD2 PHE A 101 -1.856 13.099 2.189 1.00 0.00 C ATOM 1611 CE1 PHE A 101 -2.551 10.873 0.639 1.00 0.00 C ATOM 1612 CE2 PHE A 101 -2.947 12.302 2.558 1.00 0.00 C ATOM 1613 CZ PHE A 101 -3.294 11.189 1.783 1.00 0.00 C ATOM 0 H PHE A 101 0.967 15.702 -0.375 1.00 0.00 H new ATOM 0 HA PHE A 101 0.590 13.085 -1.364 1.00 0.00 H new ATOM 0 HB2 PHE A 101 0.998 13.152 0.928 1.00 0.00 H new ATOM 0 HB3 PHE A 101 0.033 14.593 1.176 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -0.888 11.426 -0.611 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -1.588 13.957 2.787 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -2.819 10.015 0.041 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -3.520 12.546 3.440 1.00 0.00 H new ATOM 0 HZ PHE A 101 -4.135 10.574 2.068 1.00 0.00 H new ATOM 1623 N PRO A 102 -2.238 14.745 -0.887 1.00 0.00 N ATOM 1624 CA PRO A 102 -3.667 14.829 -1.315 1.00 0.00 C ATOM 1625 C PRO A 102 -3.804 14.955 -2.830 1.00 0.00 C ATOM 1626 O PRO A 102 -4.583 14.235 -3.454 1.00 0.00 O ATOM 1627 CB PRO A 102 -4.200 16.087 -0.612 1.00 0.00 C ATOM 1628 CG PRO A 102 -2.999 16.813 -0.098 1.00 0.00 C ATOM 1629 CD PRO A 102 -1.924 15.756 0.127 1.00 0.00 C ATOM 0 HA PRO A 102 -4.221 13.928 -1.050 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -4.766 16.710 -1.304 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -4.874 15.822 0.203 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -2.663 17.563 -0.813 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -3.229 17.337 0.830 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -0.922 16.164 -0.007 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -1.968 15.344 1.135 1.00 0.00 H new ATOM 1637 N ALA A 103 -3.043 15.875 -3.413 1.00 0.00 N ATOM 1638 CA ALA A 103 -3.090 16.086 -4.854 1.00 0.00 C ATOM 1639 C ALA A 103 -2.969 14.757 -5.593 1.00 0.00 C ATOM 1640 O ALA A 103 -3.524 14.587 -6.678 1.00 0.00 O ATOM 1641 CB ALA A 103 -1.953 17.017 -5.282 1.00 0.00 C ATOM 0 H ALA A 103 -2.392 16.481 -2.915 1.00 0.00 H new ATOM 0 HA ALA A 103 -4.047 16.543 -5.106 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -1.995 17.170 -6.360 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -2.058 17.976 -4.775 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -0.996 16.569 -5.016 1.00 0.00 H new ATOM 1647 N LEU A 104 -2.240 13.820 -4.997 1.00 0.00 N ATOM 1648 CA LEU A 104 -2.053 12.508 -5.606 1.00 0.00 C ATOM 1649 C LEU A 104 -3.212 11.583 -5.249 1.00 0.00 C ATOM 1650 O LEU A 104 -3.478 10.606 -5.949 1.00 0.00 O ATOM 1651 CB LEU A 104 -0.740 11.892 -5.119 1.00 0.00 C ATOM 1652 CG LEU A 104 -0.025 11.218 -6.291 1.00 0.00 C ATOM 1653 CD1 LEU A 104 1.336 10.698 -5.827 1.00 0.00 C ATOM 1654 CD2 LEU A 104 -0.872 10.049 -6.800 1.00 0.00 C ATOM 0 H LEU A 104 -1.772 13.943 -4.099 1.00 0.00 H new ATOM 0 HA LEU A 104 -2.020 12.630 -6.689 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -0.103 12.663 -4.686 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -0.938 11.163 -4.333 1.00 0.00 H new ATOM 0 HG LEU A 104 0.117 11.941 -7.094 1.00 0.00 H new ATOM 0 HD11 LEU A 104 1.846 10.218 -6.662 1.00 0.00 H new ATOM 0 HD12 LEU A 104 1.939 11.530 -5.464 1.00 0.00 H new ATOM 0 HD13 LEU A 104 1.195 9.975 -5.024 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -0.363 9.568 -7.635 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -1.014 9.326 -5.997 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -1.842 10.420 -7.131 1.00 0.00 H new ATOM 1666 N GLN A 105 -3.898 11.898 -4.156 1.00 0.00 N ATOM 1667 CA GLN A 105 -5.027 11.086 -3.714 1.00 0.00 C ATOM 1668 C GLN A 105 -6.305 11.501 -4.436 1.00 0.00 C ATOM 1669 O GLN A 105 -7.180 10.673 -4.692 1.00 0.00 O ATOM 1670 CB GLN A 105 -5.221 11.240 -2.204 1.00 0.00 C ATOM 1671 CG GLN A 105 -6.165 10.147 -1.694 1.00 0.00 C ATOM 1672 CD GLN A 105 -7.397 10.779 -1.054 1.00 0.00 C ATOM 1673 OE1 GLN A 105 -8.007 11.677 -1.634 1.00 0.00 O ATOM 1674 NE2 GLN A 105 -7.801 10.359 0.114 1.00 0.00 N ATOM 0 H GLN A 105 -3.695 12.703 -3.563 1.00 0.00 H new ATOM 0 HA GLN A 105 -4.813 10.044 -3.950 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -4.260 11.171 -1.695 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -5.632 12.224 -1.978 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -6.465 9.500 -2.518 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -5.649 9.519 -0.967 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -7.293 9.615 0.592 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -8.625 10.775 0.549 1.00 0.00 H new ATOM 1683 N LYS A 106 -6.408 12.786 -4.759 1.00 0.00 N ATOM 1684 CA LYS A 106 -7.587 13.297 -5.449 1.00 0.00 C ATOM 1685 C LYS A 106 -7.623 12.803 -6.891 1.00 0.00 C ATOM 1686 O LYS A 106 -8.676 12.420 -7.401 1.00 0.00 O ATOM 1687 CB LYS A 106 -7.582 14.828 -5.431 1.00 0.00 C ATOM 1688 CG LYS A 106 -8.996 15.341 -5.150 1.00 0.00 C ATOM 1689 CD LYS A 106 -9.034 16.862 -5.326 1.00 0.00 C ATOM 1690 CE LYS A 106 -9.448 17.203 -6.758 1.00 0.00 C ATOM 1691 NZ LYS A 106 -8.320 16.907 -7.686 1.00 0.00 N ATOM 0 H LYS A 106 -5.696 13.488 -4.556 1.00 0.00 H new ATOM 0 HA LYS A 106 -8.473 12.931 -4.931 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -6.894 15.191 -4.667 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -7.228 15.212 -6.388 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -9.707 14.868 -5.828 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -9.296 15.074 -4.137 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -9.737 17.302 -4.619 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -8.054 17.288 -5.109 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -10.327 16.624 -7.041 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -9.723 18.255 -6.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -8.426 17.472 -8.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -7.419 17.147 -7.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -8.326 15.896 -7.929 1.00 0.00 H new ATOM 1705 N PHE A 107 -6.466 12.813 -7.546 1.00 0.00 N ATOM 1706 CA PHE A 107 -6.379 12.363 -8.930 1.00 0.00 C ATOM 1707 C PHE A 107 -6.363 10.839 -8.999 1.00 0.00 C ATOM 1708 O PHE A 107 -7.138 10.235 -9.741 1.00 0.00 O ATOM 1709 CB PHE A 107 -5.114 12.920 -9.583 1.00 0.00 C ATOM 1710 CG PHE A 107 -5.459 14.164 -10.367 1.00 0.00 C ATOM 1711 CD1 PHE A 107 -6.040 15.260 -9.718 1.00 0.00 C ATOM 1712 CD2 PHE A 107 -5.198 14.222 -11.741 1.00 0.00 C ATOM 1713 CE1 PHE A 107 -6.360 16.414 -10.443 1.00 0.00 C ATOM 1714 CE2 PHE A 107 -5.519 15.376 -12.466 1.00 0.00 C ATOM 1715 CZ PHE A 107 -6.100 16.472 -11.817 1.00 0.00 C ATOM 0 H PHE A 107 -5.582 13.125 -7.144 1.00 0.00 H new ATOM 0 HA PHE A 107 -7.254 12.730 -9.466 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -4.370 13.152 -8.821 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -4.673 12.172 -10.242 1.00 0.00 H new ATOM 0 HD1 PHE A 107 -6.241 15.215 -8.658 1.00 0.00 H new ATOM 0 HD2 PHE A 107 -4.749 13.377 -12.242 1.00 0.00 H new ATOM 0 HE1 PHE A 107 -6.808 17.260 -9.942 1.00 0.00 H new ATOM 0 HE2 PHE A 107 -5.318 15.421 -13.526 1.00 0.00 H new ATOM 0 HZ PHE A 107 -6.348 17.362 -12.376 1.00 0.00 H new ATOM 1725 N THR A 108 -5.478 10.224 -8.223 1.00 0.00 N ATOM 1726 CA THR A 108 -5.374 8.770 -8.206 1.00 0.00 C ATOM 1727 C THR A 108 -6.743 8.140 -7.979 1.00 0.00 C ATOM 1728 O THR A 108 -7.065 7.102 -8.557 1.00 0.00 O ATOM 1729 CB THR A 108 -4.415 8.324 -7.098 1.00 0.00 C ATOM 1730 OG1 THR A 108 -3.126 8.869 -7.341 1.00 0.00 O ATOM 1731 CG2 THR A 108 -4.331 6.798 -7.077 1.00 0.00 C ATOM 0 H THR A 108 -4.827 10.705 -7.602 1.00 0.00 H new ATOM 0 HA THR A 108 -4.989 8.442 -9.171 1.00 0.00 H new ATOM 0 HB THR A 108 -4.783 8.678 -6.135 1.00 0.00 H new ATOM 0 HG1 THR A 108 -3.055 9.746 -6.909 1.00 0.00 H new ATOM 0 HG21 THR A 108 -3.648 6.482 -6.288 1.00 0.00 H new ATOM 0 HG22 THR A 108 -5.321 6.382 -6.889 1.00 0.00 H new ATOM 0 HG23 THR A 108 -3.964 6.441 -8.039 1.00 0.00 H new ATOM 1739 N VAL A 109 -7.547 8.777 -7.133 1.00 0.00 N ATOM 1740 CA VAL A 109 -8.881 8.269 -6.840 1.00 0.00 C ATOM 1741 C VAL A 109 -9.773 8.374 -8.071 1.00 0.00 C ATOM 1742 O VAL A 109 -10.293 7.375 -8.562 1.00 0.00 O ATOM 1743 CB VAL A 109 -9.500 9.063 -5.687 1.00 0.00 C ATOM 1744 CG1 VAL A 109 -11.011 8.827 -5.658 1.00 0.00 C ATOM 1745 CG2 VAL A 109 -8.887 8.599 -4.364 1.00 0.00 C ATOM 0 H VAL A 109 -7.301 9.637 -6.643 1.00 0.00 H new ATOM 0 HA VAL A 109 -8.798 7.221 -6.554 1.00 0.00 H new ATOM 0 HB VAL A 109 -9.301 10.125 -5.829 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -11.452 9.392 -4.837 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -11.449 9.155 -6.601 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -11.211 7.765 -5.516 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -9.327 9.163 -3.542 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -9.087 7.537 -4.223 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -7.810 8.766 -4.384 1.00 0.00 H new ATOM 1755 N LEU A 110 -9.945 9.593 -8.568 1.00 0.00 N ATOM 1756 CA LEU A 110 -10.779 9.809 -9.743 1.00 0.00 C ATOM 1757 C LEU A 110 -10.166 9.136 -10.964 1.00 0.00 C ATOM 1758 O LEU A 110 -10.848 8.895 -11.961 1.00 0.00 O ATOM 1759 CB LEU A 110 -10.935 11.309 -10.004 1.00 0.00 C ATOM 1760 CG LEU A 110 -12.405 11.633 -10.269 1.00 0.00 C ATOM 1761 CD1 LEU A 110 -12.574 13.144 -10.433 1.00 0.00 C ATOM 1762 CD2 LEU A 110 -12.859 10.930 -11.549 1.00 0.00 C ATOM 0 H LEU A 110 -9.524 10.437 -8.181 1.00 0.00 H new ATOM 0 HA LEU A 110 -11.760 9.371 -9.557 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -10.576 11.877 -9.146 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -10.327 11.605 -10.859 1.00 0.00 H new ATOM 0 HG LEU A 110 -13.009 11.288 -9.429 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -13.622 13.374 -10.622 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -12.250 13.647 -9.522 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -11.970 13.489 -11.272 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -13.907 11.161 -11.739 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -12.254 11.275 -12.388 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -12.740 9.853 -11.434 1.00 0.00 H new ATOM 1774 N ASP A 111 -8.875 8.838 -10.882 1.00 0.00 N ATOM 1775 CA ASP A 111 -8.181 8.194 -11.990 1.00 0.00 C ATOM 1776 C ASP A 111 -8.366 6.679 -11.946 1.00 0.00 C ATOM 1777 O ASP A 111 -8.852 6.077 -12.903 1.00 0.00 O ATOM 1778 CB ASP A 111 -6.688 8.525 -11.932 1.00 0.00 C ATOM 1779 CG ASP A 111 -6.475 10.021 -12.133 1.00 0.00 C ATOM 1780 OD1 ASP A 111 -7.449 10.753 -12.063 1.00 0.00 O ATOM 1781 OD2 ASP A 111 -5.341 10.414 -12.351 1.00 0.00 O ATOM 0 H ASP A 111 -8.292 9.030 -10.067 1.00 0.00 H new ATOM 0 HA ASP A 111 -8.607 8.570 -12.920 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -6.276 8.217 -10.971 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -6.154 7.967 -12.701 1.00 0.00 H new ATOM 1786 N LEU A 112 -7.962 6.068 -10.836 1.00 0.00 N ATOM 1787 CA LEU A 112 -8.078 4.620 -10.690 1.00 0.00 C ATOM 1788 C LEU A 112 -9.186 4.240 -9.710 1.00 0.00 C ATOM 1789 O LEU A 112 -9.785 3.171 -9.824 1.00 0.00 O ATOM 1790 CB LEU A 112 -6.748 4.042 -10.203 1.00 0.00 C ATOM 1791 CG LEU A 112 -5.593 4.861 -10.783 1.00 0.00 C ATOM 1792 CD1 LEU A 112 -4.262 4.235 -10.363 1.00 0.00 C ATOM 1793 CD2 LEU A 112 -5.690 4.870 -12.311 1.00 0.00 C ATOM 0 H LEU A 112 -7.556 6.547 -10.032 1.00 0.00 H new ATOM 0 HA LEU A 112 -8.331 4.206 -11.666 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -6.709 4.059 -9.114 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -6.658 3.000 -10.509 1.00 0.00 H new ATOM 0 HG LEU A 112 -5.650 5.883 -10.408 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -3.439 4.818 -10.776 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -4.191 4.227 -9.275 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -4.206 3.213 -10.738 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -4.867 5.453 -12.724 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -5.634 3.848 -12.685 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -6.638 5.315 -12.613 1.00 0.00 H new ATOM 1805 N GLY A 113 -9.449 5.112 -8.741 1.00 0.00 N ATOM 1806 CA GLY A 113 -10.482 4.836 -7.746 1.00 0.00 C ATOM 1807 C GLY A 113 -10.024 3.747 -6.781 1.00 0.00 C ATOM 1808 O GLY A 113 -10.791 2.852 -6.429 1.00 0.00 O ATOM 0 H GLY A 113 -8.969 6.004 -8.623 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -10.713 5.746 -7.192 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -11.400 4.525 -8.244 1.00 0.00 H new ATOM 1812 N MET A 114 -8.766 3.834 -6.359 1.00 0.00 N ATOM 1813 CA MET A 114 -8.209 2.853 -5.435 1.00 0.00 C ATOM 1814 C MET A 114 -8.503 3.249 -3.991 1.00 0.00 C ATOM 1815 O MET A 114 -9.265 4.180 -3.736 1.00 0.00 O ATOM 1816 CB MET A 114 -6.697 2.745 -5.638 1.00 0.00 C ATOM 1817 CG MET A 114 -6.282 1.274 -5.601 1.00 0.00 C ATOM 1818 SD MET A 114 -6.658 0.501 -7.194 1.00 0.00 S ATOM 1819 CE MET A 114 -4.964 0.045 -7.635 1.00 0.00 C ATOM 0 H MET A 114 -8.117 4.569 -6.640 1.00 0.00 H new ATOM 0 HA MET A 114 -8.673 1.887 -5.637 1.00 0.00 H new ATOM 0 HB2 MET A 114 -6.415 3.190 -6.592 1.00 0.00 H new ATOM 0 HB3 MET A 114 -6.174 3.301 -4.860 1.00 0.00 H new ATOM 0 HG2 MET A 114 -5.216 1.191 -5.387 1.00 0.00 H new ATOM 0 HG3 MET A 114 -6.809 0.756 -4.800 1.00 0.00 H new ATOM 0 HE1 MET A 114 -4.962 -0.456 -8.603 1.00 0.00 H new ATOM 0 HE2 MET A 114 -4.348 0.943 -7.690 1.00 0.00 H new ATOM 0 HE3 MET A 114 -4.559 -0.627 -6.878 1.00 0.00 H new ATOM 1829 N VAL A 115 -7.890 2.534 -3.053 1.00 0.00 N ATOM 1830 CA VAL A 115 -8.091 2.818 -1.636 1.00 0.00 C ATOM 1831 C VAL A 115 -6.777 3.231 -0.980 1.00 0.00 C ATOM 1832 O VAL A 115 -5.909 2.397 -0.727 1.00 0.00 O ATOM 1833 CB VAL A 115 -8.649 1.581 -0.931 1.00 0.00 C ATOM 1834 CG1 VAL A 115 -8.967 1.923 0.526 1.00 0.00 C ATOM 1835 CG2 VAL A 115 -9.927 1.125 -1.638 1.00 0.00 C ATOM 0 H VAL A 115 -7.255 1.760 -3.246 1.00 0.00 H new ATOM 0 HA VAL A 115 -8.802 3.639 -1.546 1.00 0.00 H new ATOM 0 HB VAL A 115 -7.910 0.781 -0.963 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -9.365 1.041 1.028 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -8.057 2.248 1.030 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -9.706 2.723 0.559 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -10.326 0.243 -1.136 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -10.666 1.926 -1.606 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -9.701 0.881 -2.676 1.00 0.00 H new ATOM 1845 N LEU A 116 -6.639 4.524 -0.705 1.00 0.00 N ATOM 1846 CA LEU A 116 -5.426 5.036 -0.076 1.00 0.00 C ATOM 1847 C LEU A 116 -5.611 5.142 1.435 1.00 0.00 C ATOM 1848 O LEU A 116 -6.688 5.494 1.914 1.00 0.00 O ATOM 1849 CB LEU A 116 -5.080 6.413 -0.648 1.00 0.00 C ATOM 1850 CG LEU A 116 -4.651 6.267 -2.109 1.00 0.00 C ATOM 1851 CD1 LEU A 116 -5.890 6.256 -3.007 1.00 0.00 C ATOM 1852 CD2 LEU A 116 -3.754 7.445 -2.495 1.00 0.00 C ATOM 0 H LEU A 116 -7.346 5.232 -0.906 1.00 0.00 H new ATOM 0 HA LEU A 116 -4.611 4.343 -0.284 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -5.943 7.075 -0.576 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -4.279 6.869 -0.067 1.00 0.00 H new ATOM 0 HG LEU A 116 -4.103 5.333 -2.235 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -5.584 6.152 -4.048 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -6.531 5.419 -2.732 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -6.439 7.190 -2.882 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -3.447 7.343 -3.536 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -4.304 8.378 -2.369 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -2.871 7.455 -1.856 1.00 0.00 H new ATOM 1864 N LEU A 117 -4.554 4.832 2.181 1.00 0.00 N ATOM 1865 CA LEU A 117 -4.616 4.894 3.637 1.00 0.00 C ATOM 1866 C LEU A 117 -3.219 5.077 4.225 1.00 0.00 C ATOM 1867 O LEU A 117 -2.534 4.104 4.538 1.00 0.00 O ATOM 1868 CB LEU A 117 -5.238 3.610 4.187 1.00 0.00 C ATOM 1869 CG LEU A 117 -5.978 3.915 5.491 1.00 0.00 C ATOM 1870 CD1 LEU A 117 -7.387 4.420 5.174 1.00 0.00 C ATOM 1871 CD2 LEU A 117 -6.072 2.640 6.331 1.00 0.00 C ATOM 0 H LEU A 117 -3.652 4.538 1.805 1.00 0.00 H new ATOM 0 HA LEU A 117 -5.232 5.747 3.921 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -5.927 3.186 3.457 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -4.462 2.865 4.363 1.00 0.00 H new ATOM 0 HG LEU A 117 -5.435 4.680 6.046 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -7.913 4.637 6.103 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -7.322 5.327 4.574 1.00 0.00 H new ATOM 0 HD13 LEU A 117 -7.931 3.656 4.619 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -6.599 2.855 7.261 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -6.615 1.877 5.774 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -5.069 2.279 6.558 1.00 0.00 H new ATOM 1883 N PRO A 118 -2.795 6.303 4.379 1.00 0.00 N ATOM 1884 CA PRO A 118 -1.452 6.628 4.943 1.00 0.00 C ATOM 1885 C PRO A 118 -1.242 6.005 6.321 1.00 0.00 C ATOM 1886 O PRO A 118 -2.198 5.583 6.972 1.00 0.00 O ATOM 1887 CB PRO A 118 -1.442 8.158 5.028 1.00 0.00 C ATOM 1888 CG PRO A 118 -2.505 8.622 4.087 1.00 0.00 C ATOM 1889 CD PRO A 118 -3.552 7.512 4.032 1.00 0.00 C ATOM 0 HA PRO A 118 -0.647 6.231 4.325 1.00 0.00 H new ATOM 0 HB2 PRO A 118 -1.645 8.495 6.045 1.00 0.00 H new ATOM 0 HB3 PRO A 118 -0.468 8.559 4.747 1.00 0.00 H new ATOM 0 HG2 PRO A 118 -2.948 9.556 4.433 1.00 0.00 H new ATOM 0 HG3 PRO A 118 -2.090 8.813 3.097 1.00 0.00 H new ATOM 0 HD2 PRO A 118 -4.364 7.692 4.736 1.00 0.00 H new ATOM 0 HD3 PRO A 118 -4.001 7.433 3.042 1.00 0.00 H new ATOM 1897 N VAL A 119 0.012 5.951 6.757 1.00 0.00 N ATOM 1898 CA VAL A 119 0.330 5.377 8.060 1.00 0.00 C ATOM 1899 C VAL A 119 1.206 6.329 8.868 1.00 0.00 C ATOM 1900 O VAL A 119 0.737 7.353 9.363 1.00 0.00 O ATOM 1901 CB VAL A 119 1.059 4.044 7.881 1.00 0.00 C ATOM 1902 CG1 VAL A 119 0.039 2.933 7.632 1.00 0.00 C ATOM 1903 CG2 VAL A 119 2.008 4.138 6.685 1.00 0.00 C ATOM 0 H VAL A 119 0.818 6.294 6.234 1.00 0.00 H new ATOM 0 HA VAL A 119 -0.603 5.213 8.598 1.00 0.00 H new ATOM 0 HB VAL A 119 1.629 3.820 8.783 1.00 0.00 H new ATOM 0 HG11 VAL A 119 0.559 1.984 7.505 1.00 0.00 H new ATOM 0 HG12 VAL A 119 -0.639 2.864 8.483 1.00 0.00 H new ATOM 0 HG13 VAL A 119 -0.531 3.158 6.731 1.00 0.00 H new ATOM 0 HG21 VAL A 119 2.528 3.188 6.557 1.00 0.00 H new ATOM 0 HG22 VAL A 119 1.437 4.363 5.784 1.00 0.00 H new ATOM 0 HG23 VAL A 119 2.737 4.930 6.860 1.00 0.00 H new ATOM 1913 N ALA A 120 2.484 5.982 8.997 1.00 0.00 N ATOM 1914 CA ALA A 120 3.419 6.809 9.747 1.00 0.00 C ATOM 1915 C ALA A 120 4.630 5.987 10.178 1.00 0.00 C ATOM 1916 O ALA A 120 5.773 6.415 10.015 1.00 0.00 O ATOM 1917 CB ALA A 120 2.728 7.389 10.982 1.00 0.00 C ATOM 0 H ALA A 120 2.892 5.139 8.594 1.00 0.00 H new ATOM 0 HA ALA A 120 3.755 7.623 9.104 1.00 0.00 H new ATOM 0 HB1 ALA A 120 3.434 8.006 11.538 1.00 0.00 H new ATOM 0 HB2 ALA A 120 1.879 7.998 10.672 1.00 0.00 H new ATOM 0 HB3 ALA A 120 2.378 6.576 11.618 1.00 0.00 H new ATOM 1923 N SER A 121 4.369 4.805 10.727 1.00 0.00 N ATOM 1924 CA SER A 121 5.443 3.929 11.178 1.00 0.00 C ATOM 1925 C SER A 121 5.305 2.546 10.550 1.00 0.00 C ATOM 1926 O SER A 121 4.196 2.047 10.361 1.00 0.00 O ATOM 1927 CB SER A 121 5.411 3.807 12.702 1.00 0.00 C ATOM 1928 OG SER A 121 4.651 4.879 13.242 1.00 0.00 O ATOM 0 H SER A 121 3.430 4.434 10.869 1.00 0.00 H new ATOM 0 HA SER A 121 6.395 4.361 10.869 1.00 0.00 H new ATOM 0 HB2 SER A 121 4.973 2.852 12.993 1.00 0.00 H new ATOM 0 HB3 SER A 121 6.425 3.827 13.102 1.00 0.00 H new ATOM 0 HG SER A 121 4.627 4.803 14.219 1.00 0.00 H new ATOM 1934 N GLN A 122 6.439 1.931 10.229 1.00 0.00 N ATOM 1935 CA GLN A 122 6.434 0.606 9.620 1.00 0.00 C ATOM 1936 C GLN A 122 5.587 -0.362 10.441 1.00 0.00 C ATOM 1937 O GLN A 122 5.078 -1.353 9.918 1.00 0.00 O ATOM 1938 CB GLN A 122 7.866 0.074 9.523 1.00 0.00 C ATOM 1939 CG GLN A 122 8.533 0.626 8.262 1.00 0.00 C ATOM 1940 CD GLN A 122 8.648 2.144 8.353 1.00 0.00 C ATOM 1941 OE1 GLN A 122 9.311 2.665 9.251 1.00 0.00 O ATOM 1942 NE2 GLN A 122 8.038 2.890 7.474 1.00 0.00 N ATOM 0 H GLN A 122 7.367 2.326 10.379 1.00 0.00 H new ATOM 0 HA GLN A 122 6.004 0.688 8.622 1.00 0.00 H new ATOM 0 HB2 GLN A 122 8.434 0.367 10.406 1.00 0.00 H new ATOM 0 HB3 GLN A 122 7.859 -1.016 9.496 1.00 0.00 H new ATOM 0 HG2 GLN A 122 9.522 0.185 8.142 1.00 0.00 H new ATOM 0 HG3 GLN A 122 7.951 0.349 7.383 1.00 0.00 H new ATOM 0 HE21 GLN A 122 7.489 2.457 6.731 1.00 0.00 H new ATOM 0 HE22 GLN A 122 8.110 3.906 7.530 1.00 0.00 H new ATOM 1951 N MET A 123 5.444 -0.070 11.729 1.00 0.00 N ATOM 1952 CA MET A 123 4.661 -0.924 12.616 1.00 0.00 C ATOM 1953 C MET A 123 3.171 -0.824 12.294 1.00 0.00 C ATOM 1954 O MET A 123 2.499 -1.838 12.104 1.00 0.00 O ATOM 1955 CB MET A 123 4.898 -0.520 14.072 1.00 0.00 C ATOM 1956 CG MET A 123 6.387 -0.650 14.401 1.00 0.00 C ATOM 1957 SD MET A 123 6.580 -1.362 16.053 1.00 0.00 S ATOM 1958 CE MET A 123 6.136 -3.063 15.623 1.00 0.00 C ATOM 0 H MET A 123 5.857 0.746 12.181 1.00 0.00 H new ATOM 0 HA MET A 123 4.981 -1.955 12.466 1.00 0.00 H new ATOM 0 HB2 MET A 123 4.567 0.506 14.235 1.00 0.00 H new ATOM 0 HB3 MET A 123 4.311 -1.154 14.737 1.00 0.00 H new ATOM 0 HG2 MET A 123 6.880 -1.281 13.662 1.00 0.00 H new ATOM 0 HG3 MET A 123 6.867 0.328 14.356 1.00 0.00 H new ATOM 0 HE1 MET A 123 5.254 -3.363 16.188 1.00 0.00 H new ATOM 0 HE2 MET A 123 5.921 -3.124 14.556 1.00 0.00 H new ATOM 0 HE3 MET A 123 6.965 -3.728 15.865 1.00 0.00 H new ATOM 1968 N GLU A 124 2.663 0.402 12.237 1.00 0.00 N ATOM 1969 CA GLU A 124 1.250 0.620 11.941 1.00 0.00 C ATOM 1970 C GLU A 124 0.801 -0.260 10.777 1.00 0.00 C ATOM 1971 O GLU A 124 -0.186 -0.985 10.881 1.00 0.00 O ATOM 1972 CB GLU A 124 1.012 2.091 11.594 1.00 0.00 C ATOM 1973 CG GLU A 124 1.802 2.978 12.559 1.00 0.00 C ATOM 1974 CD GLU A 124 1.755 2.389 13.965 1.00 0.00 C ATOM 1975 OE1 GLU A 124 0.668 2.064 14.414 1.00 0.00 O ATOM 1976 OE2 GLU A 124 2.808 2.271 14.571 1.00 0.00 O ATOM 0 H GLU A 124 3.202 1.254 12.390 1.00 0.00 H new ATOM 0 HA GLU A 124 0.668 0.355 12.824 1.00 0.00 H new ATOM 0 HB2 GLU A 124 1.320 2.288 10.567 1.00 0.00 H new ATOM 0 HB3 GLU A 124 -0.051 2.323 11.658 1.00 0.00 H new ATOM 0 HG2 GLU A 124 2.836 3.062 12.225 1.00 0.00 H new ATOM 0 HG3 GLU A 124 1.386 3.985 12.564 1.00 0.00 H new ATOM 1983 N ALA A 125 1.536 -0.187 9.672 1.00 0.00 N ATOM 1984 CA ALA A 125 1.216 -0.977 8.491 1.00 0.00 C ATOM 1985 C ALA A 125 1.143 -2.454 8.850 1.00 0.00 C ATOM 1986 O ALA A 125 0.113 -3.094 8.658 1.00 0.00 O ATOM 1987 CB ALA A 125 2.281 -0.764 7.414 1.00 0.00 C ATOM 0 H ALA A 125 2.356 0.411 9.571 1.00 0.00 H new ATOM 0 HA ALA A 125 0.247 -0.655 8.109 1.00 0.00 H new ATOM 0 HB1 ALA A 125 2.033 -1.359 6.535 1.00 0.00 H new ATOM 0 HB2 ALA A 125 2.316 0.291 7.141 1.00 0.00 H new ATOM 0 HB3 ALA A 125 3.254 -1.072 7.798 1.00 0.00 H new ATOM 1993 N SER A 126 2.235 -2.988 9.386 1.00 0.00 N ATOM 1994 CA SER A 126 2.259 -4.389 9.779 1.00 0.00 C ATOM 1995 C SER A 126 1.034 -4.695 10.627 1.00 0.00 C ATOM 1996 O SER A 126 0.445 -5.771 10.526 1.00 0.00 O ATOM 1997 CB SER A 126 3.528 -4.696 10.577 1.00 0.00 C ATOM 1998 OG SER A 126 4.200 -3.479 10.878 1.00 0.00 O ATOM 0 H SER A 126 3.103 -2.479 9.556 1.00 0.00 H new ATOM 0 HA SER A 126 2.251 -5.010 8.883 1.00 0.00 H new ATOM 0 HB2 SER A 126 3.274 -5.222 11.497 1.00 0.00 H new ATOM 0 HB3 SER A 126 4.182 -5.354 10.004 1.00 0.00 H new ATOM 0 HG SER A 126 5.068 -3.677 11.287 1.00 0.00 H new ATOM 2004 N CYS A 127 0.652 -3.730 11.456 1.00 0.00 N ATOM 2005 CA CYS A 127 -0.511 -3.887 12.315 1.00 0.00 C ATOM 2006 C CYS A 127 -1.786 -3.607 11.528 1.00 0.00 C ATOM 2007 O CYS A 127 -2.836 -4.188 11.804 1.00 0.00 O ATOM 2008 CB CYS A 127 -0.420 -2.927 13.502 1.00 0.00 C ATOM 2009 SG CYS A 127 -0.807 -3.818 15.030 1.00 0.00 S ATOM 0 H CYS A 127 1.130 -2.834 11.550 1.00 0.00 H new ATOM 0 HA CYS A 127 -0.536 -4.912 12.684 1.00 0.00 H new ATOM 0 HB2 CYS A 127 0.581 -2.499 13.561 1.00 0.00 H new ATOM 0 HB3 CYS A 127 -1.114 -2.097 13.366 1.00 0.00 H new ATOM 0 HG CYS A 127 -0.728 -3.003 16.040 1.00 0.00 H new ATOM 2015 N LEU A 128 -1.691 -2.716 10.544 1.00 0.00 N ATOM 2016 CA LEU A 128 -2.853 -2.376 9.729 1.00 0.00 C ATOM 2017 C LEU A 128 -3.088 -3.442 8.662 1.00 0.00 C ATOM 2018 O LEU A 128 -4.214 -3.643 8.207 1.00 0.00 O ATOM 2019 CB LEU A 128 -2.644 -1.016 9.060 1.00 0.00 C ATOM 2020 CG LEU A 128 -3.606 0.007 9.667 1.00 0.00 C ATOM 2021 CD1 LEU A 128 -3.245 1.406 9.165 1.00 0.00 C ATOM 2022 CD2 LEU A 128 -5.038 -0.332 9.250 1.00 0.00 C ATOM 0 H LEU A 128 -0.834 -2.223 10.294 1.00 0.00 H new ATOM 0 HA LEU A 128 -3.728 -2.328 10.378 1.00 0.00 H new ATOM 0 HB2 LEU A 128 -1.614 -0.687 9.196 1.00 0.00 H new ATOM 0 HB3 LEU A 128 -2.814 -1.097 7.986 1.00 0.00 H new ATOM 0 HG LEU A 128 -3.528 -0.019 10.754 1.00 0.00 H new ATOM 0 HD11 LEU A 128 -3.930 2.136 9.597 1.00 0.00 H new ATOM 0 HD12 LEU A 128 -2.224 1.647 9.462 1.00 0.00 H new ATOM 0 HD13 LEU A 128 -3.323 1.434 8.078 1.00 0.00 H new ATOM 0 HD21 LEU A 128 -5.725 0.396 9.682 1.00 0.00 H new ATOM 0 HD22 LEU A 128 -5.117 -0.305 8.163 1.00 0.00 H new ATOM 0 HD23 LEU A 128 -5.295 -1.329 9.607 1.00 0.00 H new ATOM 2034 N VAL A 129 -2.016 -4.120 8.269 1.00 0.00 N ATOM 2035 CA VAL A 129 -2.107 -5.164 7.256 1.00 0.00 C ATOM 2036 C VAL A 129 -2.583 -6.473 7.877 1.00 0.00 C ATOM 2037 O VAL A 129 -3.395 -7.190 7.293 1.00 0.00 O ATOM 2038 CB VAL A 129 -0.742 -5.375 6.601 1.00 0.00 C ATOM 2039 CG1 VAL A 129 -0.855 -6.444 5.513 1.00 0.00 C ATOM 2040 CG2 VAL A 129 -0.263 -4.060 5.978 1.00 0.00 C ATOM 0 H VAL A 129 -1.077 -3.966 8.635 1.00 0.00 H new ATOM 0 HA VAL A 129 -2.828 -4.850 6.501 1.00 0.00 H new ATOM 0 HB VAL A 129 -0.026 -5.701 7.356 1.00 0.00 H new ATOM 0 HG11 VAL A 129 0.119 -6.593 5.047 1.00 0.00 H new ATOM 0 HG12 VAL A 129 -1.192 -7.381 5.957 1.00 0.00 H new ATOM 0 HG13 VAL A 129 -1.572 -6.121 4.759 1.00 0.00 H new ATOM 0 HG21 VAL A 129 0.710 -4.212 5.511 1.00 0.00 H new ATOM 0 HG22 VAL A 129 -0.979 -3.732 5.225 1.00 0.00 H new ATOM 0 HG23 VAL A 129 -0.179 -3.299 6.754 1.00 0.00 H new ATOM 2050 N ILE A 130 -2.068 -6.778 9.063 1.00 0.00 N ATOM 2051 CA ILE A 130 -2.443 -8.005 9.756 1.00 0.00 C ATOM 2052 C ILE A 130 -3.857 -7.897 10.314 1.00 0.00 C ATOM 2053 O ILE A 130 -4.628 -8.856 10.265 1.00 0.00 O ATOM 2054 CB ILE A 130 -1.462 -8.281 10.896 1.00 0.00 C ATOM 2055 CG1 ILE A 130 -0.088 -8.619 10.313 1.00 0.00 C ATOM 2056 CG2 ILE A 130 -1.966 -9.463 11.725 1.00 0.00 C ATOM 2057 CD1 ILE A 130 0.910 -8.840 11.451 1.00 0.00 C ATOM 0 H ILE A 130 -1.394 -6.197 9.562 1.00 0.00 H new ATOM 0 HA ILE A 130 -2.410 -8.827 9.041 1.00 0.00 H new ATOM 0 HB ILE A 130 -1.382 -7.398 11.530 1.00 0.00 H new ATOM 0 HG12 ILE A 130 -0.154 -9.514 9.694 1.00 0.00 H new ATOM 0 HG13 ILE A 130 0.254 -7.810 9.668 1.00 0.00 H new ATOM 0 HG21 ILE A 130 -1.268 -9.661 12.538 1.00 0.00 H new ATOM 0 HG22 ILE A 130 -2.946 -9.226 12.138 1.00 0.00 H new ATOM 0 HG23 ILE A 130 -2.044 -10.346 11.090 1.00 0.00 H new ATOM 0 HD11 ILE A 130 1.888 -9.081 11.035 1.00 0.00 H new ATOM 0 HD12 ILE A 130 0.984 -7.933 12.051 1.00 0.00 H new ATOM 0 HD13 ILE A 130 0.570 -9.664 12.078 1.00 0.00 H new ATOM 2069 N GLN A 131 -4.194 -6.727 10.845 1.00 0.00 N ATOM 2070 CA GLN A 131 -5.521 -6.511 11.408 1.00 0.00 C ATOM 2071 C GLN A 131 -6.595 -6.751 10.353 1.00 0.00 C ATOM 2072 O GLN A 131 -7.734 -7.087 10.678 1.00 0.00 O ATOM 2073 CB GLN A 131 -5.636 -5.083 11.946 1.00 0.00 C ATOM 2074 CG GLN A 131 -7.077 -4.819 12.386 1.00 0.00 C ATOM 2075 CD GLN A 131 -7.117 -3.651 13.364 1.00 0.00 C ATOM 2076 OE1 GLN A 131 -7.307 -3.850 14.565 1.00 0.00 O ATOM 2077 NE2 GLN A 131 -6.949 -2.436 12.921 1.00 0.00 N ATOM 0 H GLN A 131 -3.572 -5.920 10.897 1.00 0.00 H new ATOM 0 HA GLN A 131 -5.668 -7.217 12.225 1.00 0.00 H new ATOM 0 HB2 GLN A 131 -4.956 -4.944 12.787 1.00 0.00 H new ATOM 0 HB3 GLN A 131 -5.342 -4.368 11.177 1.00 0.00 H new ATOM 0 HG2 GLN A 131 -7.697 -4.598 11.517 1.00 0.00 H new ATOM 0 HG3 GLN A 131 -7.492 -5.711 12.855 1.00 0.00 H new ATOM 0 HE21 GLN A 131 -6.792 -2.273 11.926 1.00 0.00 H new ATOM 0 HE22 GLN A 131 -6.975 -1.649 13.569 1.00 0.00 H new ATOM 2086 N LEU A 132 -6.224 -6.581 9.087 1.00 0.00 N ATOM 2087 CA LEU A 132 -7.167 -6.786 7.992 1.00 0.00 C ATOM 2088 C LEU A 132 -7.368 -8.276 7.733 1.00 0.00 C ATOM 2089 O LEU A 132 -8.488 -8.782 7.800 1.00 0.00 O ATOM 2090 CB LEU A 132 -6.648 -6.109 6.721 1.00 0.00 C ATOM 2091 CG LEU A 132 -7.829 -5.745 5.819 1.00 0.00 C ATOM 2092 CD1 LEU A 132 -8.662 -4.646 6.483 1.00 0.00 C ATOM 2093 CD2 LEU A 132 -7.306 -5.244 4.468 1.00 0.00 C ATOM 0 H LEU A 132 -5.286 -6.305 8.796 1.00 0.00 H new ATOM 0 HA LEU A 132 -8.123 -6.345 8.272 1.00 0.00 H new ATOM 0 HB2 LEU A 132 -6.083 -5.213 6.978 1.00 0.00 H new ATOM 0 HB3 LEU A 132 -5.966 -6.776 6.194 1.00 0.00 H new ATOM 0 HG LEU A 132 -8.451 -6.627 5.664 1.00 0.00 H new ATOM 0 HD11 LEU A 132 -9.503 -4.388 5.839 1.00 0.00 H new ATOM 0 HD12 LEU A 132 -9.036 -5.003 7.443 1.00 0.00 H new ATOM 0 HD13 LEU A 132 -8.041 -3.764 6.640 1.00 0.00 H new ATOM 0 HD21 LEU A 132 -8.148 -4.985 3.826 1.00 0.00 H new ATOM 0 HD22 LEU A 132 -6.683 -4.363 4.623 1.00 0.00 H new ATOM 0 HD23 LEU A 132 -6.715 -6.027 3.993 1.00 0.00 H new ATOM 2105 N VAL A 133 -6.275 -8.973 7.438 1.00 0.00 N ATOM 2106 CA VAL A 133 -6.340 -10.405 7.171 1.00 0.00 C ATOM 2107 C VAL A 133 -6.883 -11.153 8.384 1.00 0.00 C ATOM 2108 O VAL A 133 -7.696 -12.069 8.249 1.00 0.00 O ATOM 2109 CB VAL A 133 -4.946 -10.934 6.825 1.00 0.00 C ATOM 2110 CG1 VAL A 133 -5.062 -12.350 6.257 1.00 0.00 C ATOM 2111 CG2 VAL A 133 -4.294 -10.017 5.785 1.00 0.00 C ATOM 0 H VAL A 133 -5.339 -8.572 7.378 1.00 0.00 H new ATOM 0 HA VAL A 133 -7.011 -10.569 6.328 1.00 0.00 H new ATOM 0 HB VAL A 133 -4.333 -10.954 7.726 1.00 0.00 H new ATOM 0 HG11 VAL A 133 -4.069 -12.726 6.011 1.00 0.00 H new ATOM 0 HG12 VAL A 133 -5.524 -13.003 6.998 1.00 0.00 H new ATOM 0 HG13 VAL A 133 -5.676 -12.332 5.357 1.00 0.00 H new ATOM 0 HG21 VAL A 133 -3.301 -10.394 5.539 1.00 0.00 H new ATOM 0 HG22 VAL A 133 -4.907 -9.995 4.884 1.00 0.00 H new ATOM 0 HG23 VAL A 133 -4.209 -9.009 6.191 1.00 0.00 H new ATOM 2121 N GLN A 134 -6.429 -10.757 9.568 1.00 0.00 N ATOM 2122 CA GLN A 134 -6.875 -11.398 10.800 1.00 0.00 C ATOM 2123 C GLN A 134 -8.398 -11.419 10.873 1.00 0.00 C ATOM 2124 O GLN A 134 -9.002 -12.461 11.131 1.00 0.00 O ATOM 2125 CB GLN A 134 -6.315 -10.648 12.011 1.00 0.00 C ATOM 2126 CG GLN A 134 -6.499 -11.499 13.268 1.00 0.00 C ATOM 2127 CD GLN A 134 -5.671 -10.925 14.413 1.00 0.00 C ATOM 2128 OE1 GLN A 134 -4.368 -11.006 14.369 1.00 0.00 O flip ATOM 2129 NE2 GLN A 134 -6.224 -10.388 15.373 1.00 0.00 N flip ATOM 0 H GLN A 134 -5.757 -10.001 9.701 1.00 0.00 H new ATOM 0 HA GLN A 134 -6.508 -12.424 10.806 1.00 0.00 H new ATOM 0 HB2 GLN A 134 -5.258 -10.428 11.859 1.00 0.00 H new ATOM 0 HB3 GLN A 134 -6.826 -9.692 12.128 1.00 0.00 H new ATOM 0 HG2 GLN A 134 -7.552 -11.526 13.548 1.00 0.00 H new ATOM 0 HG3 GLN A 134 -6.196 -12.527 13.069 1.00 0.00 H new ATOM 0 HE21 GLN A 134 -7.242 -10.325 15.406 1.00 0.00 H new ATOM 0 HE22 GLN A 134 -5.665 -10.006 16.135 1.00 0.00 H new ATOM 2138 N GLU A 135 -9.012 -10.264 10.644 1.00 0.00 N ATOM 2139 CA GLU A 135 -10.466 -10.162 10.688 1.00 0.00 C ATOM 2140 C GLU A 135 -11.095 -11.008 9.586 1.00 0.00 C ATOM 2141 O GLU A 135 -12.219 -11.492 9.726 1.00 0.00 O ATOM 2142 CB GLU A 135 -10.892 -8.703 10.516 1.00 0.00 C ATOM 2143 CG GLU A 135 -10.620 -7.934 11.811 1.00 0.00 C ATOM 2144 CD GLU A 135 -11.396 -6.621 11.808 1.00 0.00 C ATOM 2145 OE1 GLU A 135 -12.521 -6.621 11.337 1.00 0.00 O ATOM 2146 OE2 GLU A 135 -10.852 -5.634 12.277 1.00 0.00 O ATOM 0 H GLU A 135 -8.530 -9.391 10.428 1.00 0.00 H new ATOM 0 HA GLU A 135 -10.808 -10.530 11.655 1.00 0.00 H new ATOM 0 HB2 GLU A 135 -10.345 -8.249 9.690 1.00 0.00 H new ATOM 0 HB3 GLU A 135 -11.951 -8.650 10.265 1.00 0.00 H new ATOM 0 HG2 GLU A 135 -10.912 -8.537 12.671 1.00 0.00 H new ATOM 0 HG3 GLU A 135 -9.553 -7.735 11.909 1.00 0.00 H new ATOM 2153 N GLN A 136 -10.364 -11.180 8.490 1.00 0.00 N ATOM 2154 CA GLN A 136 -10.861 -11.968 7.368 1.00 0.00 C ATOM 2155 C GLN A 136 -10.517 -13.443 7.556 1.00 0.00 C ATOM 2156 O GLN A 136 -11.030 -14.305 6.843 1.00 0.00 O ATOM 2157 CB GLN A 136 -10.244 -11.460 6.063 1.00 0.00 C ATOM 2158 CG GLN A 136 -11.310 -10.728 5.243 1.00 0.00 C ATOM 2159 CD GLN A 136 -10.674 -10.089 4.013 1.00 0.00 C ATOM 2160 OE1 GLN A 136 -10.194 -10.849 3.068 1.00 0.00 O flip ATOM 2161 NE2 GLN A 136 -10.617 -8.863 3.910 1.00 0.00 N flip ATOM 0 H GLN A 136 -9.432 -10.788 8.355 1.00 0.00 H new ATOM 0 HA GLN A 136 -11.945 -11.863 7.324 1.00 0.00 H new ATOM 0 HB2 GLN A 136 -9.412 -10.789 6.279 1.00 0.00 H new ATOM 0 HB3 GLN A 136 -9.840 -12.295 5.491 1.00 0.00 H new ATOM 0 HG2 GLN A 136 -12.089 -11.426 4.938 1.00 0.00 H new ATOM 0 HG3 GLN A 136 -11.789 -9.963 5.854 1.00 0.00 H new ATOM 0 HE21 GLN A 136 -10.993 -8.271 4.651 1.00 0.00 H new ATOM 0 HE22 GLN A 136 -10.194 -8.440 3.084 1.00 0.00 H new ATOM 2170 N THR A 137 -9.647 -13.723 8.521 1.00 0.00 N ATOM 2171 CA THR A 137 -9.241 -15.097 8.796 1.00 0.00 C ATOM 2172 C THR A 137 -10.077 -15.686 9.927 1.00 0.00 C ATOM 2173 O THR A 137 -10.561 -16.814 9.833 1.00 0.00 O ATOM 2174 CB THR A 137 -7.759 -15.135 9.177 1.00 0.00 C ATOM 2175 OG1 THR A 137 -6.992 -14.514 8.155 1.00 0.00 O ATOM 2176 CG2 THR A 137 -7.309 -16.588 9.344 1.00 0.00 C ATOM 0 H THR A 137 -9.212 -13.023 9.122 1.00 0.00 H new ATOM 0 HA THR A 137 -9.400 -15.692 7.897 1.00 0.00 H new ATOM 0 HB THR A 137 -7.612 -14.602 10.116 1.00 0.00 H new ATOM 0 HG1 THR A 137 -7.096 -13.541 8.214 1.00 0.00 H new ATOM 0 HG21 THR A 137 -6.254 -16.613 9.615 1.00 0.00 H new ATOM 0 HG22 THR A 137 -7.897 -17.063 10.129 1.00 0.00 H new ATOM 0 HG23 THR A 137 -7.456 -17.124 8.406 1.00 0.00 H new ATOM 2184 N LYS A 138 -10.243 -14.913 10.996 1.00 0.00 N ATOM 2185 CA LYS A 138 -11.023 -15.363 12.144 1.00 0.00 C ATOM 2186 C LYS A 138 -12.199 -16.223 11.691 1.00 0.00 C ATOM 2187 O LYS A 138 -12.791 -15.980 10.639 1.00 0.00 O ATOM 2188 CB LYS A 138 -11.540 -14.156 12.926 1.00 0.00 C ATOM 2189 CG LYS A 138 -12.433 -14.631 14.073 1.00 0.00 C ATOM 2190 CD LYS A 138 -12.077 -13.864 15.349 1.00 0.00 C ATOM 2191 CE LYS A 138 -13.277 -13.861 16.297 1.00 0.00 C ATOM 2192 NZ LYS A 138 -13.586 -15.257 16.716 1.00 0.00 N ATOM 0 H LYS A 138 -9.850 -13.977 11.091 1.00 0.00 H new ATOM 0 HA LYS A 138 -10.378 -15.963 12.786 1.00 0.00 H new ATOM 0 HB2 LYS A 138 -10.703 -13.579 13.319 1.00 0.00 H new ATOM 0 HB3 LYS A 138 -12.101 -13.495 12.265 1.00 0.00 H new ATOM 0 HG2 LYS A 138 -13.482 -14.472 13.821 1.00 0.00 H new ATOM 0 HG3 LYS A 138 -12.302 -15.701 14.231 1.00 0.00 H new ATOM 0 HD2 LYS A 138 -11.218 -14.326 15.835 1.00 0.00 H new ATOM 0 HD3 LYS A 138 -11.792 -12.841 15.103 1.00 0.00 H new ATOM 0 HE2 LYS A 138 -13.061 -13.247 17.172 1.00 0.00 H new ATOM 0 HE3 LYS A 138 -14.142 -13.419 15.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 138 -14.286 -15.242 17.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 138 -13.972 -15.785 15.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 138 -12.716 -15.720 17.048 1.00 0.00 H new ATOM 2206 N GLU A 139 -12.533 -17.229 12.493 1.00 0.00 N ATOM 2207 CA GLU A 139 -13.640 -18.121 12.166 1.00 0.00 C ATOM 2208 C GLU A 139 -14.893 -17.319 11.830 1.00 0.00 C ATOM 2209 O GLU A 139 -14.931 -16.597 10.834 1.00 0.00 O ATOM 2210 CB GLU A 139 -13.929 -19.051 13.347 1.00 0.00 C ATOM 2211 CG GLU A 139 -14.897 -20.150 12.907 1.00 0.00 C ATOM 2212 CD GLU A 139 -14.118 -21.352 12.383 1.00 0.00 C ATOM 2213 OE1 GLU A 139 -13.407 -21.190 11.405 1.00 0.00 O ATOM 2214 OE2 GLU A 139 -14.243 -22.415 12.967 1.00 0.00 O ATOM 0 H GLU A 139 -12.057 -17.446 13.368 1.00 0.00 H new ATOM 0 HA GLU A 139 -13.358 -18.715 11.297 1.00 0.00 H new ATOM 0 HB2 GLU A 139 -13.001 -19.493 13.711 1.00 0.00 H new ATOM 0 HB3 GLU A 139 -14.357 -18.484 14.174 1.00 0.00 H new ATOM 0 HG2 GLU A 139 -15.525 -20.451 13.746 1.00 0.00 H new ATOM 0 HG3 GLU A 139 -15.562 -19.771 12.131 1.00 0.00 H new TER 2221 GLU A 139