USER MOD reduce.3.24.130724 H: found=0, std=0, add=533, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 531 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 24 TYR OH : rot 66:sc= 0.73 USER MOD Set 1.2: A 60 GLN : amide:sc= 0.0302 K(o=0.76,f=-0.077) USER MOD Set 2.1: A 55 GLN : amide:sc= 0 X(o=-0.97,f=-0.98) USER MOD Set 2.2: A 59 TYR OH : rot 39:sc= -0.973 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot -55:sc= 0.179 USER MOD Single : A 11 ASN : amide:sc= -0.678 K(o=-0.68,f=-1.4) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 149:sc= -0.44 (180deg=-1.4!) USER MOD Single : A 16 HIS : no HD1:sc= -0.225 X(o=-0.22,f=0) USER MOD Single : A 17 MET CE :methyl -126:sc= -0.253 (180deg=-2.26!) USER MOD Single : A 18 SER OG : rot 75:sc=0.000102 USER MOD Single : A 21 LYS NZ :NH3+ 152:sc=-0.00806 (180deg=-0.42) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 MET CE :methyl 153:sc= -2.01 (180deg=-4.08!) USER MOD Single : A 27 ASN : amide:sc= -3.09! C(o=-3.1!,f=-2.7!) USER MOD Single : A 28 MET CE :methyl -131:sc= -0.034 (180deg=-1.06) USER MOD Single : A 31 ASN :FLIP amide:sc= -0.948 F(o=-4.2!,f=-0.95) USER MOD Single : A 32 SER OG : rot 180:sc= -0.0629 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 91:sc= -4.55! USER MOD Single : A 46 GLN : amide:sc= -1.84 K(o=-1.8,f=-3.1!) USER MOD Single : A 50 LYS NZ :NH3+ 140:sc= -1.89! (180deg=-6.62!) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 ASN : amide:sc= -0.0577 X(o=-0.058,f=-0.22) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -17.688 7.985 36.200 1.00 0.00 N ATOM 2 CA GLY A 1 -18.062 7.359 34.946 1.00 0.00 C ATOM 3 C GLY A 1 -16.929 6.557 34.337 1.00 0.00 C ATOM 4 O GLY A 1 -15.831 7.075 34.137 1.00 0.00 O ATOM 0 H1 GLY A 1 -18.496 8.521 36.575 1.00 0.00 H new ATOM 0 H2 GLY A 1 -17.410 7.253 36.884 1.00 0.00 H new ATOM 0 H3 GLY A 1 -16.889 8.631 36.041 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -18.918 6.705 35.111 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -18.379 8.127 34.241 1.00 0.00 H new ATOM 8 N SER A 2 -17.195 5.288 34.044 1.00 0.00 N ATOM 9 CA SER A 2 -16.187 4.411 33.460 1.00 0.00 C ATOM 10 C SER A 2 -16.618 3.934 32.076 1.00 0.00 C ATOM 11 O SER A 2 -17.809 3.805 31.795 1.00 0.00 O ATOM 12 CB SER A 2 -15.937 3.208 34.371 1.00 0.00 C ATOM 13 OG SER A 2 -14.960 3.506 35.353 1.00 0.00 O ATOM 0 H SER A 2 -18.100 4.844 34.201 1.00 0.00 H new ATOM 0 HA SER A 2 -15.262 4.979 33.358 1.00 0.00 H new ATOM 0 HB2 SER A 2 -16.868 2.916 34.857 1.00 0.00 H new ATOM 0 HB3 SER A 2 -15.609 2.357 33.774 1.00 0.00 H new ATOM 0 HG SER A 2 -14.820 2.722 35.923 1.00 0.00 H new ATOM 19 N SER A 3 -15.639 3.674 31.215 1.00 0.00 N ATOM 20 CA SER A 3 -15.916 3.215 29.859 1.00 0.00 C ATOM 21 C SER A 3 -15.712 1.708 29.743 1.00 0.00 C ATOM 22 O SER A 3 -14.819 1.141 30.371 1.00 0.00 O ATOM 23 CB SER A 3 -15.014 3.941 28.858 1.00 0.00 C ATOM 24 OG SER A 3 -15.110 3.359 27.570 1.00 0.00 O ATOM 0 H SER A 3 -14.647 3.773 31.432 1.00 0.00 H new ATOM 0 HA SER A 3 -16.957 3.442 29.631 1.00 0.00 H new ATOM 0 HB2 SER A 3 -15.295 4.993 28.807 1.00 0.00 H new ATOM 0 HB3 SER A 3 -13.980 3.903 29.201 1.00 0.00 H new ATOM 0 HG SER A 3 -14.526 3.842 26.949 1.00 0.00 H new ATOM 30 N GLY A 4 -16.549 1.064 28.935 1.00 0.00 N ATOM 31 CA GLY A 4 -16.445 -0.372 28.751 1.00 0.00 C ATOM 32 C GLY A 4 -15.958 -0.746 27.366 1.00 0.00 C ATOM 33 O GLY A 4 -16.750 -1.119 26.501 1.00 0.00 O ATOM 0 H GLY A 4 -17.297 1.511 28.405 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -15.763 -0.782 29.496 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -17.419 -0.829 28.926 1.00 0.00 H new ATOM 37 N SER A 5 -14.650 -0.643 27.153 1.00 0.00 N ATOM 38 CA SER A 5 -14.058 -0.967 25.860 1.00 0.00 C ATOM 39 C SER A 5 -14.240 -2.447 25.536 1.00 0.00 C ATOM 40 O SER A 5 -14.293 -3.289 26.432 1.00 0.00 O ATOM 41 CB SER A 5 -12.570 -0.611 25.852 1.00 0.00 C ATOM 42 OG SER A 5 -12.381 0.783 25.679 1.00 0.00 O ATOM 0 H SER A 5 -13.980 -0.338 27.859 1.00 0.00 H new ATOM 0 HA SER A 5 -14.568 -0.379 25.097 1.00 0.00 H new ATOM 0 HB2 SER A 5 -12.111 -0.930 26.788 1.00 0.00 H new ATOM 0 HB3 SER A 5 -12.068 -1.152 25.050 1.00 0.00 H new ATOM 0 HG SER A 5 -11.422 0.986 25.679 1.00 0.00 H new ATOM 48 N SER A 6 -14.335 -2.756 24.246 1.00 0.00 N ATOM 49 CA SER A 6 -14.514 -4.134 23.802 1.00 0.00 C ATOM 50 C SER A 6 -13.827 -4.365 22.459 1.00 0.00 C ATOM 51 O SER A 6 -13.967 -3.569 21.532 1.00 0.00 O ATOM 52 CB SER A 6 -16.004 -4.465 23.689 1.00 0.00 C ATOM 53 OG SER A 6 -16.614 -4.509 24.967 1.00 0.00 O ATOM 0 H SER A 6 -14.291 -2.072 23.491 1.00 0.00 H new ATOM 0 HA SER A 6 -14.058 -4.791 24.542 1.00 0.00 H new ATOM 0 HB2 SER A 6 -16.500 -3.717 23.071 1.00 0.00 H new ATOM 0 HB3 SER A 6 -16.130 -5.425 23.189 1.00 0.00 H new ATOM 0 HG SER A 6 -17.566 -4.720 24.868 1.00 0.00 H new ATOM 59 N GLY A 7 -13.083 -5.463 22.364 1.00 0.00 N ATOM 60 CA GLY A 7 -12.384 -5.781 21.132 1.00 0.00 C ATOM 61 C GLY A 7 -12.700 -7.176 20.631 1.00 0.00 C ATOM 62 O GLY A 7 -13.866 -7.551 20.509 1.00 0.00 O ATOM 0 H GLY A 7 -12.952 -6.138 23.118 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -12.654 -5.053 20.366 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -11.310 -5.691 21.293 1.00 0.00 H new ATOM 66 N SER A 8 -11.657 -7.947 20.337 1.00 0.00 N ATOM 67 CA SER A 8 -11.829 -9.308 19.841 1.00 0.00 C ATOM 68 C SER A 8 -12.539 -9.307 18.490 1.00 0.00 C ATOM 69 O SER A 8 -13.467 -10.079 18.248 1.00 0.00 O ATOM 70 CB SER A 8 -12.622 -10.144 20.846 1.00 0.00 C ATOM 71 OG SER A 8 -12.570 -11.522 20.517 1.00 0.00 O ATOM 0 H SER A 8 -10.685 -7.653 20.434 1.00 0.00 H new ATOM 0 HA SER A 8 -10.841 -9.750 19.713 1.00 0.00 H new ATOM 0 HB2 SER A 8 -12.221 -9.991 21.848 1.00 0.00 H new ATOM 0 HB3 SER A 8 -13.659 -9.810 20.863 1.00 0.00 H new ATOM 0 HG SER A 8 -12.872 -11.649 19.593 1.00 0.00 H new ATOM 77 N PRO A 9 -12.093 -8.420 17.589 1.00 0.00 N ATOM 78 CA PRO A 9 -12.670 -8.296 16.247 1.00 0.00 C ATOM 79 C PRO A 9 -12.351 -9.499 15.366 1.00 0.00 C ATOM 80 O PRO A 9 -11.187 -9.775 15.074 1.00 0.00 O ATOM 81 CB PRO A 9 -12.007 -7.034 15.690 1.00 0.00 C ATOM 82 CG PRO A 9 -10.722 -6.922 16.435 1.00 0.00 C ATOM 83 CD PRO A 9 -10.991 -7.468 17.810 1.00 0.00 C ATOM 0 HA PRO A 9 -13.758 -8.245 16.275 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -11.837 -7.117 14.617 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -12.633 -6.156 15.846 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -9.933 -7.487 15.939 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -10.389 -5.885 16.485 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -10.112 -7.960 18.226 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -11.275 -6.680 18.507 1.00 0.00 H new ATOM 91 N ILE A 10 -13.391 -10.211 14.945 1.00 0.00 N ATOM 92 CA ILE A 10 -13.221 -11.383 14.096 1.00 0.00 C ATOM 93 C ILE A 10 -13.163 -10.992 12.623 1.00 0.00 C ATOM 94 O ILE A 10 -13.893 -10.107 12.177 1.00 0.00 O ATOM 95 CB ILE A 10 -14.361 -12.398 14.301 1.00 0.00 C ATOM 96 CG1 ILE A 10 -14.404 -12.862 15.759 1.00 0.00 C ATOM 97 CG2 ILE A 10 -14.187 -13.587 13.367 1.00 0.00 C ATOM 98 CD1 ILE A 10 -15.298 -12.014 16.636 1.00 0.00 C ATOM 0 H ILE A 10 -14.360 -9.996 15.178 1.00 0.00 H new ATOM 0 HA ILE A 10 -12.277 -11.846 14.384 1.00 0.00 H new ATOM 0 HB ILE A 10 -15.307 -11.911 14.065 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -14.749 -13.895 15.793 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -13.393 -12.850 16.166 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -15.001 -14.295 13.524 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -14.200 -13.242 12.333 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -13.235 -14.076 13.574 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -15.280 -12.400 17.655 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -14.941 -10.984 16.632 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -16.318 -12.045 16.254 1.00 0.00 H new ATOM 110 N ASN A 11 -12.292 -11.658 11.873 1.00 0.00 N ATOM 111 CA ASN A 11 -12.139 -11.381 10.449 1.00 0.00 C ATOM 112 C ASN A 11 -12.021 -12.676 9.652 1.00 0.00 C ATOM 113 O ASN A 11 -11.025 -13.395 9.732 1.00 0.00 O ATOM 114 CB ASN A 11 -10.908 -10.506 10.208 1.00 0.00 C ATOM 115 CG ASN A 11 -11.143 -9.057 10.589 1.00 0.00 C ATOM 116 OD1 ASN A 11 -12.041 -8.402 10.058 1.00 0.00 O ATOM 117 ND2 ASN A 11 -10.336 -8.550 11.513 1.00 0.00 N ATOM 0 H ASN A 11 -11.681 -12.394 12.227 1.00 0.00 H new ATOM 0 HA ASN A 11 -13.027 -10.848 10.111 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -10.069 -10.898 10.783 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -10.627 -10.561 9.156 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -10.446 -7.581 11.810 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -9.605 -9.130 11.926 1.00 0.00 H new ATOM 124 N PRO A 12 -13.062 -12.982 8.863 1.00 0.00 N ATOM 125 CA PRO A 12 -13.099 -14.191 8.035 1.00 0.00 C ATOM 126 C PRO A 12 -12.112 -14.129 6.875 1.00 0.00 C ATOM 127 O PRO A 12 -11.369 -15.079 6.628 1.00 0.00 O ATOM 128 CB PRO A 12 -14.538 -14.220 7.513 1.00 0.00 C ATOM 129 CG PRO A 12 -14.979 -12.797 7.542 1.00 0.00 C ATOM 130 CD PRO A 12 -14.283 -12.172 8.719 1.00 0.00 C ATOM 0 HA PRO A 12 -12.818 -15.080 8.599 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -14.585 -14.629 6.504 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -15.174 -14.845 8.140 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -14.714 -12.287 6.616 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -16.062 -12.726 7.646 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -14.050 -11.123 8.537 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -14.899 -12.211 9.617 1.00 0.00 H new ATOM 138 N TYR A 13 -12.110 -13.006 6.166 1.00 0.00 N ATOM 139 CA TYR A 13 -11.215 -12.821 5.029 1.00 0.00 C ATOM 140 C TYR A 13 -10.239 -11.676 5.285 1.00 0.00 C ATOM 141 O TYR A 13 -9.093 -11.709 4.837 1.00 0.00 O ATOM 142 CB TYR A 13 -12.020 -12.546 3.759 1.00 0.00 C ATOM 143 CG TYR A 13 -12.649 -11.172 3.726 1.00 0.00 C ATOM 144 CD1 TYR A 13 -13.913 -10.951 4.259 1.00 0.00 C ATOM 145 CD2 TYR A 13 -11.979 -10.093 3.162 1.00 0.00 C ATOM 146 CE1 TYR A 13 -14.491 -9.697 4.231 1.00 0.00 C ATOM 147 CE2 TYR A 13 -12.549 -8.835 3.131 1.00 0.00 C ATOM 148 CZ TYR A 13 -13.805 -8.642 3.666 1.00 0.00 C ATOM 149 OH TYR A 13 -14.377 -7.391 3.637 1.00 0.00 O ATOM 0 H TYR A 13 -12.718 -12.210 6.358 1.00 0.00 H new ATOM 0 HA TYR A 13 -10.643 -13.739 4.896 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -11.367 -12.658 2.894 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -12.804 -13.298 3.666 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -14.453 -11.774 4.703 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -10.996 -10.240 2.741 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -15.475 -9.543 4.649 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -12.014 -8.007 2.690 1.00 0.00 H new ATOM 0 HH TYR A 13 -13.763 -6.760 3.206 1.00 0.00 H new ATOM 159 N LYS A 14 -10.703 -10.663 6.009 1.00 0.00 N ATOM 160 CA LYS A 14 -9.874 -9.507 6.327 1.00 0.00 C ATOM 161 C LYS A 14 -8.580 -9.938 7.012 1.00 0.00 C ATOM 162 O LYS A 14 -7.541 -9.296 6.856 1.00 0.00 O ATOM 163 CB LYS A 14 -10.641 -8.536 7.228 1.00 0.00 C ATOM 164 CG LYS A 14 -11.545 -7.584 6.464 1.00 0.00 C ATOM 165 CD LYS A 14 -10.758 -6.437 5.852 1.00 0.00 C ATOM 166 CE LYS A 14 -10.668 -5.254 6.803 1.00 0.00 C ATOM 167 NZ LYS A 14 -9.648 -5.472 7.866 1.00 0.00 N ATOM 0 H LYS A 14 -11.649 -10.619 6.387 1.00 0.00 H new ATOM 0 HA LYS A 14 -9.621 -9.004 5.393 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -11.243 -9.107 7.935 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -9.928 -7.956 7.813 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -12.067 -8.129 5.677 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -12.306 -7.187 7.135 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -9.754 -6.778 5.597 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -11.233 -6.123 4.923 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -10.419 -4.354 6.240 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -11.641 -5.083 7.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -9.236 -4.559 8.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -10.097 -5.915 8.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -8.897 -6.094 7.504 1.00 0.00 H new ATOM 181 N ASP A 15 -8.651 -11.028 7.768 1.00 0.00 N ATOM 182 CA ASP A 15 -7.484 -11.545 8.474 1.00 0.00 C ATOM 183 C ASP A 15 -6.347 -11.841 7.501 1.00 0.00 C ATOM 184 O ASP A 15 -5.237 -11.329 7.653 1.00 0.00 O ATOM 185 CB ASP A 15 -7.851 -12.812 9.249 1.00 0.00 C ATOM 186 CG ASP A 15 -6.630 -13.550 9.762 1.00 0.00 C ATOM 187 OD1 ASP A 15 -6.134 -13.191 10.850 1.00 0.00 O ATOM 188 OD2 ASP A 15 -6.172 -14.487 9.076 1.00 0.00 O ATOM 0 H ASP A 15 -9.503 -11.570 7.908 1.00 0.00 H new ATOM 0 HA ASP A 15 -7.148 -10.783 9.177 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -8.492 -12.547 10.090 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -8.428 -13.475 8.604 1.00 0.00 H new ATOM 193 N HIS A 16 -6.630 -12.670 6.501 1.00 0.00 N ATOM 194 CA HIS A 16 -5.631 -13.034 5.503 1.00 0.00 C ATOM 195 C HIS A 16 -4.798 -11.821 5.101 1.00 0.00 C ATOM 196 O HIS A 16 -3.572 -11.896 5.022 1.00 0.00 O ATOM 197 CB HIS A 16 -6.306 -13.636 4.270 1.00 0.00 C ATOM 198 CG HIS A 16 -6.697 -15.072 4.442 1.00 0.00 C ATOM 199 ND1 HIS A 16 -7.883 -15.464 5.025 1.00 0.00 N ATOM 200 CD2 HIS A 16 -6.051 -16.212 4.102 1.00 0.00 C ATOM 201 CE1 HIS A 16 -7.950 -16.784 5.037 1.00 0.00 C ATOM 202 NE2 HIS A 16 -6.850 -17.261 4.483 1.00 0.00 N ATOM 0 H HIS A 16 -7.543 -13.102 6.361 1.00 0.00 H new ATOM 0 HA HIS A 16 -4.968 -13.778 5.944 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -7.195 -13.052 4.031 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -5.631 -13.551 3.419 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -5.087 -16.283 3.621 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -8.765 -17.372 5.432 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -6.630 -18.249 4.358 1.00 0.00 H new ATOM 211 N MET A 17 -5.473 -10.705 4.845 1.00 0.00 N ATOM 212 CA MET A 17 -4.794 -9.476 4.451 1.00 0.00 C ATOM 213 C MET A 17 -3.977 -8.910 5.608 1.00 0.00 C ATOM 214 O MET A 17 -2.797 -8.596 5.452 1.00 0.00 O ATOM 215 CB MET A 17 -5.811 -8.437 3.974 1.00 0.00 C ATOM 216 CG MET A 17 -6.117 -8.524 2.488 1.00 0.00 C ATOM 217 SD MET A 17 -6.537 -10.197 1.962 1.00 0.00 S ATOM 218 CE MET A 17 -5.109 -10.606 0.961 1.00 0.00 C ATOM 0 H MET A 17 -6.488 -10.626 4.903 1.00 0.00 H new ATOM 0 HA MET A 17 -4.115 -9.713 3.632 1.00 0.00 H new ATOM 0 HB2 MET A 17 -6.737 -8.563 4.535 1.00 0.00 H new ATOM 0 HB3 MET A 17 -5.433 -7.440 4.201 1.00 0.00 H new ATOM 0 HG2 MET A 17 -6.944 -7.855 2.252 1.00 0.00 H new ATOM 0 HG3 MET A 17 -5.253 -8.176 1.922 1.00 0.00 H new ATOM 0 HE1 MET A 17 -5.437 -10.926 -0.028 1.00 0.00 H new ATOM 0 HE2 MET A 17 -4.469 -9.729 0.865 1.00 0.00 H new ATOM 0 HE3 MET A 17 -4.550 -11.412 1.436 1.00 0.00 H new ATOM 228 N SER A 18 -4.612 -8.783 6.769 1.00 0.00 N ATOM 229 CA SER A 18 -3.945 -8.252 7.951 1.00 0.00 C ATOM 230 C SER A 18 -2.567 -8.882 8.127 1.00 0.00 C ATOM 231 O SER A 18 -1.545 -8.197 8.069 1.00 0.00 O ATOM 232 CB SER A 18 -4.795 -8.502 9.198 1.00 0.00 C ATOM 233 OG SER A 18 -5.916 -7.635 9.234 1.00 0.00 O ATOM 0 H SER A 18 -5.588 -9.041 6.916 1.00 0.00 H new ATOM 0 HA SER A 18 -3.819 -7.178 7.815 1.00 0.00 H new ATOM 0 HB2 SER A 18 -5.132 -9.538 9.210 1.00 0.00 H new ATOM 0 HB3 SER A 18 -4.188 -8.354 10.091 1.00 0.00 H new ATOM 0 HG SER A 18 -6.587 -7.941 8.589 1.00 0.00 H new ATOM 239 N VAL A 19 -2.546 -10.194 8.342 1.00 0.00 N ATOM 240 CA VAL A 19 -1.294 -10.919 8.526 1.00 0.00 C ATOM 241 C VAL A 19 -0.240 -10.456 7.527 1.00 0.00 C ATOM 242 O VAL A 19 0.899 -10.169 7.898 1.00 0.00 O ATOM 243 CB VAL A 19 -1.498 -12.438 8.373 1.00 0.00 C ATOM 244 CG1 VAL A 19 -2.351 -12.742 7.151 1.00 0.00 C ATOM 245 CG2 VAL A 19 -0.156 -13.149 8.287 1.00 0.00 C ATOM 0 H VAL A 19 -3.382 -10.776 8.393 1.00 0.00 H new ATOM 0 HA VAL A 19 -0.950 -10.706 9.538 1.00 0.00 H new ATOM 0 HB VAL A 19 -2.023 -12.807 9.254 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -2.484 -13.820 7.059 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -3.325 -12.264 7.259 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -1.856 -12.360 6.258 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -0.319 -14.221 8.179 1.00 0.00 H new ATOM 0 HG22 VAL A 19 0.398 -12.778 7.425 1.00 0.00 H new ATOM 0 HG23 VAL A 19 0.416 -12.958 9.195 1.00 0.00 H new ATOM 255 N LEU A 20 -0.626 -10.385 6.258 1.00 0.00 N ATOM 256 CA LEU A 20 0.287 -9.956 5.203 1.00 0.00 C ATOM 257 C LEU A 20 0.846 -8.569 5.499 1.00 0.00 C ATOM 258 O LEU A 20 2.006 -8.278 5.203 1.00 0.00 O ATOM 259 CB LEU A 20 -0.430 -9.952 3.852 1.00 0.00 C ATOM 260 CG LEU A 20 -0.910 -11.311 3.343 1.00 0.00 C ATOM 261 CD1 LEU A 20 -1.622 -11.160 2.007 1.00 0.00 C ATOM 262 CD2 LEU A 20 0.258 -12.278 3.220 1.00 0.00 C ATOM 0 H LEU A 20 -1.565 -10.619 5.934 1.00 0.00 H new ATOM 0 HA LEU A 20 1.117 -10.662 5.165 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -1.291 -9.288 3.922 1.00 0.00 H new ATOM 0 HB3 LEU A 20 0.242 -9.524 3.108 1.00 0.00 H new ATOM 0 HG LEU A 20 -1.618 -11.718 4.065 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -1.957 -12.138 1.660 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -2.484 -10.503 2.126 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -0.937 -10.731 1.276 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -0.103 -13.240 2.856 1.00 0.00 H new ATOM 0 HD22 LEU A 20 0.990 -11.877 2.519 1.00 0.00 H new ATOM 0 HD23 LEU A 20 0.725 -12.411 4.196 1.00 0.00 H new ATOM 274 N LYS A 21 0.016 -7.714 6.088 1.00 0.00 N ATOM 275 CA LYS A 21 0.428 -6.358 6.428 1.00 0.00 C ATOM 276 C LYS A 21 1.436 -6.366 7.573 1.00 0.00 C ATOM 277 O LYS A 21 2.193 -5.412 7.752 1.00 0.00 O ATOM 278 CB LYS A 21 -0.790 -5.514 6.813 1.00 0.00 C ATOM 279 CG LYS A 21 -1.407 -4.768 5.643 1.00 0.00 C ATOM 280 CD LYS A 21 -2.217 -5.696 4.754 1.00 0.00 C ATOM 281 CE LYS A 21 -3.220 -4.924 3.910 1.00 0.00 C ATOM 282 NZ LYS A 21 -2.557 -3.898 3.059 1.00 0.00 N ATOM 0 H LYS A 21 -0.947 -7.937 6.340 1.00 0.00 H new ATOM 0 HA LYS A 21 0.904 -5.920 5.551 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -1.545 -6.162 7.258 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -0.496 -4.795 7.577 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -2.048 -3.970 6.017 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -0.620 -4.296 5.056 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -1.546 -6.255 4.102 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -2.743 -6.425 5.371 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -3.772 -5.619 3.277 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -3.947 -4.440 4.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -3.127 -3.735 2.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -2.469 -3.009 3.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -1.611 -4.232 2.786 1.00 0.00 H new ATOM 296 N ALA A 22 1.441 -7.449 8.342 1.00 0.00 N ATOM 297 CA ALA A 22 2.359 -7.582 9.467 1.00 0.00 C ATOM 298 C ALA A 22 3.761 -7.946 8.991 1.00 0.00 C ATOM 299 O ALA A 22 4.756 -7.473 9.541 1.00 0.00 O ATOM 300 CB ALA A 22 1.845 -8.626 10.447 1.00 0.00 C ATOM 0 H ALA A 22 0.820 -8.247 8.207 1.00 0.00 H new ATOM 0 HA ALA A 22 2.414 -6.619 9.975 1.00 0.00 H new ATOM 0 HB1 ALA A 22 2.540 -8.715 11.282 1.00 0.00 H new ATOM 0 HB2 ALA A 22 0.866 -8.324 10.820 1.00 0.00 H new ATOM 0 HB3 ALA A 22 1.760 -9.588 9.942 1.00 0.00 H new ATOM 306 N TYR A 23 3.833 -8.790 7.968 1.00 0.00 N ATOM 307 CA TYR A 23 5.114 -9.220 7.420 1.00 0.00 C ATOM 308 C TYR A 23 5.857 -8.047 6.786 1.00 0.00 C ATOM 309 O TYR A 23 7.072 -7.913 6.936 1.00 0.00 O ATOM 310 CB TYR A 23 4.905 -10.325 6.383 1.00 0.00 C ATOM 311 CG TYR A 23 4.546 -11.663 6.989 1.00 0.00 C ATOM 312 CD1 TYR A 23 5.349 -12.245 7.962 1.00 0.00 C ATOM 313 CD2 TYR A 23 3.405 -12.346 6.588 1.00 0.00 C ATOM 314 CE1 TYR A 23 5.026 -13.467 8.518 1.00 0.00 C ATOM 315 CE2 TYR A 23 3.073 -13.568 7.139 1.00 0.00 C ATOM 316 CZ TYR A 23 3.887 -14.125 8.104 1.00 0.00 C ATOM 317 OH TYR A 23 3.560 -15.343 8.654 1.00 0.00 O ATOM 0 H TYR A 23 3.019 -9.190 7.501 1.00 0.00 H new ATOM 0 HA TYR A 23 5.718 -9.610 8.240 1.00 0.00 H new ATOM 0 HB2 TYR A 23 4.114 -10.023 5.696 1.00 0.00 H new ATOM 0 HB3 TYR A 23 5.815 -10.435 5.793 1.00 0.00 H new ATOM 0 HD1 TYR A 23 6.242 -11.733 8.289 1.00 0.00 H new ATOM 0 HD2 TYR A 23 2.766 -11.914 5.832 1.00 0.00 H new ATOM 0 HE1 TYR A 23 5.662 -13.905 9.273 1.00 0.00 H new ATOM 0 HE2 TYR A 23 2.181 -14.085 6.816 1.00 0.00 H new ATOM 0 HH TYR A 23 2.728 -15.670 8.253 1.00 0.00 H new ATOM 327 N TYR A 24 5.118 -7.200 6.080 1.00 0.00 N ATOM 328 CA TYR A 24 5.705 -6.039 5.421 1.00 0.00 C ATOM 329 C TYR A 24 6.191 -5.019 6.447 1.00 0.00 C ATOM 330 O TYR A 24 7.346 -4.596 6.417 1.00 0.00 O ATOM 331 CB TYR A 24 4.686 -5.389 4.483 1.00 0.00 C ATOM 332 CG TYR A 24 5.310 -4.480 3.448 1.00 0.00 C ATOM 333 CD1 TYR A 24 6.145 -3.435 3.826 1.00 0.00 C ATOM 334 CD2 TYR A 24 5.063 -4.665 2.094 1.00 0.00 C ATOM 335 CE1 TYR A 24 6.716 -2.602 2.884 1.00 0.00 C ATOM 336 CE2 TYR A 24 5.632 -3.838 1.145 1.00 0.00 C ATOM 337 CZ TYR A 24 6.457 -2.807 1.545 1.00 0.00 C ATOM 338 OH TYR A 24 7.024 -1.980 0.602 1.00 0.00 O ATOM 0 H TYR A 24 4.111 -7.295 5.949 1.00 0.00 H new ATOM 0 HA TYR A 24 6.561 -6.378 4.838 1.00 0.00 H new ATOM 0 HB2 TYR A 24 4.122 -6.171 3.975 1.00 0.00 H new ATOM 0 HB3 TYR A 24 3.973 -4.816 5.076 1.00 0.00 H new ATOM 0 HD1 TYR A 24 6.351 -3.272 4.874 1.00 0.00 H new ATOM 0 HD2 TYR A 24 4.415 -5.469 1.778 1.00 0.00 H new ATOM 0 HE1 TYR A 24 7.362 -1.794 3.194 1.00 0.00 H new ATOM 0 HE2 TYR A 24 5.432 -3.998 0.096 1.00 0.00 H new ATOM 0 HH TYR A 24 7.996 -2.105 0.600 1.00 0.00 H new ATOM 348 N ALA A 25 5.301 -4.630 7.353 1.00 0.00 N ATOM 349 CA ALA A 25 5.639 -3.663 8.390 1.00 0.00 C ATOM 350 C ALA A 25 7.032 -3.924 8.951 1.00 0.00 C ATOM 351 O ALA A 25 7.895 -3.047 8.929 1.00 0.00 O ATOM 352 CB ALA A 25 4.603 -3.700 9.504 1.00 0.00 C ATOM 0 H ALA A 25 4.340 -4.970 7.390 1.00 0.00 H new ATOM 0 HA ALA A 25 5.638 -2.670 7.941 1.00 0.00 H new ATOM 0 HB1 ALA A 25 4.868 -2.973 10.272 1.00 0.00 H new ATOM 0 HB2 ALA A 25 3.622 -3.456 9.097 1.00 0.00 H new ATOM 0 HB3 ALA A 25 4.576 -4.697 9.943 1.00 0.00 H new ATOM 358 N MET A 26 7.244 -5.135 9.455 1.00 0.00 N ATOM 359 CA MET A 26 8.534 -5.512 10.023 1.00 0.00 C ATOM 360 C MET A 26 9.607 -5.571 8.940 1.00 0.00 C ATOM 361 O MET A 26 10.731 -5.116 9.143 1.00 0.00 O ATOM 362 CB MET A 26 8.429 -6.865 10.729 1.00 0.00 C ATOM 363 CG MET A 26 7.269 -6.951 11.708 1.00 0.00 C ATOM 364 SD MET A 26 7.036 -8.615 12.363 1.00 0.00 S ATOM 365 CE MET A 26 6.141 -9.387 11.017 1.00 0.00 C ATOM 0 H MET A 26 6.540 -5.872 9.482 1.00 0.00 H new ATOM 0 HA MET A 26 8.819 -4.753 10.751 1.00 0.00 H new ATOM 0 HB2 MET A 26 8.320 -7.649 9.980 1.00 0.00 H new ATOM 0 HB3 MET A 26 9.359 -7.060 11.262 1.00 0.00 H new ATOM 0 HG2 MET A 26 7.443 -6.261 12.533 1.00 0.00 H new ATOM 0 HG3 MET A 26 6.354 -6.629 11.211 1.00 0.00 H new ATOM 0 HE1 MET A 26 6.331 -10.460 11.022 1.00 0.00 H new ATOM 0 HE2 MET A 26 5.073 -9.207 11.139 1.00 0.00 H new ATOM 0 HE3 MET A 26 6.474 -8.964 10.069 1.00 0.00 H new ATOM 375 N ASN A 27 9.252 -6.137 7.791 1.00 0.00 N ATOM 376 CA ASN A 27 10.185 -6.257 6.678 1.00 0.00 C ATOM 377 C ASN A 27 9.612 -5.619 5.416 1.00 0.00 C ATOM 378 O ASN A 27 8.737 -6.189 4.763 1.00 0.00 O ATOM 379 CB ASN A 27 10.513 -7.728 6.416 1.00 0.00 C ATOM 380 CG ASN A 27 11.895 -7.916 5.821 1.00 0.00 C ATOM 381 OD1 ASN A 27 12.802 -7.120 6.065 1.00 0.00 O ATOM 382 ND2 ASN A 27 12.062 -8.973 5.035 1.00 0.00 N ATOM 0 H ASN A 27 8.325 -6.520 7.607 1.00 0.00 H new ATOM 0 HA ASN A 27 11.101 -5.730 6.946 1.00 0.00 H new ATOM 0 HB2 ASN A 27 10.444 -8.285 7.351 1.00 0.00 H new ATOM 0 HB3 ASN A 27 9.769 -8.148 5.739 1.00 0.00 H new ATOM 0 HD21 ASN A 27 12.970 -9.151 4.606 1.00 0.00 H new ATOM 0 HD22 ASN A 27 11.282 -9.607 4.860 1.00 0.00 H new ATOM 389 N MET A 28 10.111 -4.435 5.078 1.00 0.00 N ATOM 390 CA MET A 28 9.650 -3.721 3.893 1.00 0.00 C ATOM 391 C MET A 28 9.564 -4.658 2.693 1.00 0.00 C ATOM 392 O MET A 28 8.477 -4.933 2.186 1.00 0.00 O ATOM 393 CB MET A 28 10.587 -2.554 3.577 1.00 0.00 C ATOM 394 CG MET A 28 10.746 -1.574 4.728 1.00 0.00 C ATOM 395 SD MET A 28 9.369 -0.417 4.851 1.00 0.00 S ATOM 396 CE MET A 28 8.321 -1.262 6.033 1.00 0.00 C ATOM 0 H MET A 28 10.835 -3.949 5.608 1.00 0.00 H new ATOM 0 HA MET A 28 8.653 -3.331 4.100 1.00 0.00 H new ATOM 0 HB2 MET A 28 11.567 -2.948 3.308 1.00 0.00 H new ATOM 0 HB3 MET A 28 10.208 -2.020 2.706 1.00 0.00 H new ATOM 0 HG2 MET A 28 10.834 -2.128 5.662 1.00 0.00 H new ATOM 0 HG3 MET A 28 11.674 -1.016 4.600 1.00 0.00 H new ATOM 0 HE1 MET A 28 7.300 -1.298 5.653 1.00 0.00 H new ATOM 0 HE2 MET A 28 8.688 -2.277 6.184 1.00 0.00 H new ATOM 0 HE3 MET A 28 8.336 -0.725 6.982 1.00 0.00 H new ATOM 406 N GLU A 29 10.716 -5.146 2.244 1.00 0.00 N ATOM 407 CA GLU A 29 10.769 -6.051 1.102 1.00 0.00 C ATOM 408 C GLU A 29 11.410 -7.380 1.491 1.00 0.00 C ATOM 409 O GLU A 29 12.630 -7.499 1.609 1.00 0.00 O ATOM 410 CB GLU A 29 11.551 -5.412 -0.048 1.00 0.00 C ATOM 411 CG GLU A 29 10.879 -4.180 -0.629 1.00 0.00 C ATOM 412 CD GLU A 29 10.950 -2.984 0.300 1.00 0.00 C ATOM 413 OE1 GLU A 29 12.040 -2.724 0.851 1.00 0.00 O ATOM 414 OE2 GLU A 29 9.915 -2.308 0.477 1.00 0.00 O ATOM 0 H GLU A 29 11.625 -4.930 2.654 1.00 0.00 H new ATOM 0 HA GLU A 29 9.747 -6.242 0.774 1.00 0.00 H new ATOM 0 HB2 GLU A 29 12.545 -5.140 0.307 1.00 0.00 H new ATOM 0 HB3 GLU A 29 11.685 -6.150 -0.839 1.00 0.00 H new ATOM 0 HG2 GLU A 29 11.351 -3.927 -1.578 1.00 0.00 H new ATOM 0 HG3 GLU A 29 9.835 -4.407 -0.843 1.00 0.00 H new ATOM 421 N PRO A 30 10.569 -8.405 1.697 1.00 0.00 N ATOM 422 CA PRO A 30 11.030 -9.744 2.076 1.00 0.00 C ATOM 423 C PRO A 30 11.764 -10.447 0.939 1.00 0.00 C ATOM 424 O PRO A 30 11.772 -9.972 -0.195 1.00 0.00 O ATOM 425 CB PRO A 30 9.733 -10.483 2.413 1.00 0.00 C ATOM 426 CG PRO A 30 8.680 -9.776 1.631 1.00 0.00 C ATOM 427 CD PRO A 30 9.103 -8.335 1.575 1.00 0.00 C ATOM 0 HA PRO A 30 11.744 -9.712 2.899 1.00 0.00 H new ATOM 0 HB2 PRO A 30 9.793 -11.535 2.135 1.00 0.00 H new ATOM 0 HB3 PRO A 30 9.523 -10.447 3.482 1.00 0.00 H new ATOM 0 HG2 PRO A 30 8.590 -10.196 0.629 1.00 0.00 H new ATOM 0 HG3 PRO A 30 7.705 -9.878 2.108 1.00 0.00 H new ATOM 0 HD2 PRO A 30 8.800 -7.863 0.640 1.00 0.00 H new ATOM 0 HD3 PRO A 30 8.660 -7.754 2.384 1.00 0.00 H new ATOM 435 N ASN A 31 12.381 -11.582 1.253 1.00 0.00 N ATOM 436 CA ASN A 31 13.119 -12.351 0.257 1.00 0.00 C ATOM 437 C ASN A 31 12.357 -13.616 -0.127 1.00 0.00 C ATOM 438 O ASN A 31 11.283 -13.892 0.406 1.00 0.00 O ATOM 439 CB ASN A 31 14.505 -12.718 0.790 1.00 0.00 C ATOM 440 CG ASN A 31 14.496 -12.992 2.282 1.00 0.00 C ATOM 441 OD1 ASN A 31 13.944 -14.136 2.670 1.00 0.00 O flip ATOM 442 ND2 ASN A 31 14.981 -12.185 3.075 1.00 0.00 N flip ATOM 0 H ASN A 31 12.385 -11.989 2.188 1.00 0.00 H new ATOM 0 HA ASN A 31 13.232 -11.732 -0.633 1.00 0.00 H new ATOM 0 HB2 ASN A 31 14.872 -13.599 0.264 1.00 0.00 H new ATOM 0 HB3 ASN A 31 15.200 -11.906 0.576 1.00 0.00 H new ATOM 0 HD21 ASN A 31 15.395 -11.318 2.732 1.00 0.00 H new ATOM 0 HD22 ASN A 31 14.969 -12.383 4.076 1.00 0.00 H new ATOM 449 N SER A 32 12.923 -14.382 -1.055 1.00 0.00 N ATOM 450 CA SER A 32 12.296 -15.617 -1.512 1.00 0.00 C ATOM 451 C SER A 32 11.872 -16.482 -0.329 1.00 0.00 C ATOM 452 O SER A 32 10.780 -17.050 -0.321 1.00 0.00 O ATOM 453 CB SER A 32 13.256 -16.398 -2.412 1.00 0.00 C ATOM 454 OG SER A 32 14.337 -16.928 -1.664 1.00 0.00 O ATOM 0 H SER A 32 13.814 -14.169 -1.505 1.00 0.00 H new ATOM 0 HA SER A 32 11.406 -15.354 -2.084 1.00 0.00 H new ATOM 0 HB2 SER A 32 12.719 -17.208 -2.906 1.00 0.00 H new ATOM 0 HB3 SER A 32 13.638 -15.744 -3.196 1.00 0.00 H new ATOM 0 HG SER A 32 14.936 -17.424 -2.261 1.00 0.00 H new ATOM 460 N ASP A 33 12.745 -16.577 0.668 1.00 0.00 N ATOM 461 CA ASP A 33 12.462 -17.372 1.858 1.00 0.00 C ATOM 462 C ASP A 33 11.200 -16.874 2.556 1.00 0.00 C ATOM 463 O ASP A 33 10.252 -17.632 2.759 1.00 0.00 O ATOM 464 CB ASP A 33 13.647 -17.323 2.823 1.00 0.00 C ATOM 465 CG ASP A 33 14.645 -18.437 2.571 1.00 0.00 C ATOM 466 OD1 ASP A 33 15.232 -18.470 1.469 1.00 0.00 O ATOM 467 OD2 ASP A 33 14.839 -19.275 3.476 1.00 0.00 O ATOM 0 H ASP A 33 13.654 -16.114 0.676 1.00 0.00 H new ATOM 0 HA ASP A 33 12.300 -18.404 1.546 1.00 0.00 H new ATOM 0 HB2 ASP A 33 14.150 -16.360 2.728 1.00 0.00 H new ATOM 0 HB3 ASP A 33 13.281 -17.392 3.847 1.00 0.00 H new ATOM 472 N GLU A 34 11.198 -15.597 2.923 1.00 0.00 N ATOM 473 CA GLU A 34 10.053 -14.999 3.601 1.00 0.00 C ATOM 474 C GLU A 34 8.807 -15.063 2.723 1.00 0.00 C ATOM 475 O GLU A 34 7.789 -15.638 3.110 1.00 0.00 O ATOM 476 CB GLU A 34 10.354 -13.546 3.974 1.00 0.00 C ATOM 477 CG GLU A 34 11.325 -13.404 5.134 1.00 0.00 C ATOM 478 CD GLU A 34 11.675 -11.958 5.429 1.00 0.00 C ATOM 479 OE1 GLU A 34 10.829 -11.251 6.015 1.00 0.00 O ATOM 480 OE2 GLU A 34 12.795 -11.535 5.073 1.00 0.00 O ATOM 0 H GLU A 34 11.975 -14.956 2.763 1.00 0.00 H new ATOM 0 HA GLU A 34 9.865 -15.568 4.511 1.00 0.00 H new ATOM 0 HB2 GLU A 34 10.764 -13.034 3.103 1.00 0.00 H new ATOM 0 HB3 GLU A 34 9.421 -13.044 4.229 1.00 0.00 H new ATOM 0 HG2 GLU A 34 10.890 -13.857 6.025 1.00 0.00 H new ATOM 0 HG3 GLU A 34 12.237 -13.956 4.909 1.00 0.00 H new ATOM 487 N LEU A 35 8.894 -14.468 1.539 1.00 0.00 N ATOM 488 CA LEU A 35 7.774 -14.455 0.604 1.00 0.00 C ATOM 489 C LEU A 35 7.004 -15.770 0.660 1.00 0.00 C ATOM 490 O LEU A 35 5.788 -15.782 0.860 1.00 0.00 O ATOM 491 CB LEU A 35 8.275 -14.204 -0.820 1.00 0.00 C ATOM 492 CG LEU A 35 8.419 -12.739 -1.232 1.00 0.00 C ATOM 493 CD1 LEU A 35 9.009 -12.634 -2.630 1.00 0.00 C ATOM 494 CD2 LEU A 35 7.074 -12.031 -1.163 1.00 0.00 C ATOM 0 H LEU A 35 9.729 -13.988 1.203 1.00 0.00 H new ATOM 0 HA LEU A 35 7.101 -13.648 0.893 1.00 0.00 H new ATOM 0 HB2 LEU A 35 9.244 -14.690 -0.934 1.00 0.00 H new ATOM 0 HB3 LEU A 35 7.591 -14.691 -1.515 1.00 0.00 H new ATOM 0 HG LEU A 35 9.100 -12.250 -0.535 1.00 0.00 H new ATOM 0 HD11 LEU A 35 9.104 -11.584 -2.907 1.00 0.00 H new ATOM 0 HD12 LEU A 35 9.992 -13.104 -2.646 1.00 0.00 H new ATOM 0 HD13 LEU A 35 8.354 -13.138 -3.340 1.00 0.00 H new ATOM 0 HD21 LEU A 35 7.196 -10.989 -1.460 1.00 0.00 H new ATOM 0 HD22 LEU A 35 6.370 -12.520 -1.836 1.00 0.00 H new ATOM 0 HD23 LEU A 35 6.691 -12.076 -0.143 1.00 0.00 H new ATOM 506 N LEU A 36 7.718 -16.876 0.484 1.00 0.00 N ATOM 507 CA LEU A 36 7.102 -18.199 0.517 1.00 0.00 C ATOM 508 C LEU A 36 6.282 -18.386 1.789 1.00 0.00 C ATOM 509 O LEU A 36 5.060 -18.531 1.737 1.00 0.00 O ATOM 510 CB LEU A 36 8.175 -19.285 0.424 1.00 0.00 C ATOM 511 CG LEU A 36 7.668 -20.727 0.382 1.00 0.00 C ATOM 512 CD1 LEU A 36 6.575 -20.879 -0.665 1.00 0.00 C ATOM 513 CD2 LEU A 36 8.814 -21.688 0.102 1.00 0.00 C ATOM 0 H LEU A 36 8.724 -16.884 0.317 1.00 0.00 H new ATOM 0 HA LEU A 36 6.433 -18.283 -0.340 1.00 0.00 H new ATOM 0 HB2 LEU A 36 8.770 -19.104 -0.471 1.00 0.00 H new ATOM 0 HB3 LEU A 36 8.844 -19.181 1.278 1.00 0.00 H new ATOM 0 HG LEU A 36 7.246 -20.971 1.357 1.00 0.00 H new ATOM 0 HD11 LEU A 36 6.227 -21.912 -0.680 1.00 0.00 H new ATOM 0 HD12 LEU A 36 5.743 -20.219 -0.421 1.00 0.00 H new ATOM 0 HD13 LEU A 36 6.971 -20.615 -1.646 1.00 0.00 H new ATOM 0 HD21 LEU A 36 8.434 -22.709 0.076 1.00 0.00 H new ATOM 0 HD22 LEU A 36 9.267 -21.444 -0.859 1.00 0.00 H new ATOM 0 HD23 LEU A 36 9.563 -21.600 0.889 1.00 0.00 H new ATOM 525 N LYS A 37 6.961 -18.379 2.931 1.00 0.00 N ATOM 526 CA LYS A 37 6.296 -18.544 4.218 1.00 0.00 C ATOM 527 C LYS A 37 5.048 -17.670 4.302 1.00 0.00 C ATOM 528 O LYS A 37 3.960 -18.154 4.615 1.00 0.00 O ATOM 529 CB LYS A 37 7.254 -18.195 5.359 1.00 0.00 C ATOM 530 CG LYS A 37 7.977 -19.400 5.935 1.00 0.00 C ATOM 531 CD LYS A 37 7.270 -19.939 7.167 1.00 0.00 C ATOM 532 CE LYS A 37 6.285 -21.040 6.807 1.00 0.00 C ATOM 533 NZ LYS A 37 5.160 -21.119 7.780 1.00 0.00 N ATOM 0 H LYS A 37 7.972 -18.261 2.991 1.00 0.00 H new ATOM 0 HA LYS A 37 5.994 -19.587 4.312 1.00 0.00 H new ATOM 0 HB2 LYS A 37 7.991 -17.478 4.997 1.00 0.00 H new ATOM 0 HB3 LYS A 37 6.695 -17.703 6.155 1.00 0.00 H new ATOM 0 HG2 LYS A 37 8.040 -20.183 5.179 1.00 0.00 H new ATOM 0 HG3 LYS A 37 8.999 -19.123 6.193 1.00 0.00 H new ATOM 0 HD2 LYS A 37 8.007 -20.325 7.871 1.00 0.00 H new ATOM 0 HD3 LYS A 37 6.743 -19.128 7.669 1.00 0.00 H new ATOM 0 HE2 LYS A 37 5.889 -20.860 5.808 1.00 0.00 H new ATOM 0 HE3 LYS A 37 6.806 -21.997 6.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 4.511 -21.882 7.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 5.536 -21.316 8.730 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 4.647 -20.214 7.792 1.00 0.00 H new ATOM 547 N ILE A 38 5.214 -16.382 4.020 1.00 0.00 N ATOM 548 CA ILE A 38 4.100 -15.442 4.062 1.00 0.00 C ATOM 549 C ILE A 38 2.859 -16.031 3.400 1.00 0.00 C ATOM 550 O ILE A 38 1.778 -16.047 3.988 1.00 0.00 O ATOM 551 CB ILE A 38 4.458 -14.115 3.367 1.00 0.00 C ATOM 552 CG1 ILE A 38 5.599 -13.417 4.110 1.00 0.00 C ATOM 553 CG2 ILE A 38 3.237 -13.211 3.292 1.00 0.00 C ATOM 554 CD1 ILE A 38 6.351 -12.417 3.259 1.00 0.00 C ATOM 0 H ILE A 38 6.108 -15.966 3.760 1.00 0.00 H new ATOM 0 HA ILE A 38 3.890 -15.247 5.114 1.00 0.00 H new ATOM 0 HB ILE A 38 4.789 -14.331 2.351 1.00 0.00 H new ATOM 0 HG12 ILE A 38 5.194 -12.907 4.984 1.00 0.00 H new ATOM 0 HG13 ILE A 38 6.298 -14.169 4.475 1.00 0.00 H new ATOM 0 HG21 ILE A 38 3.506 -12.277 2.798 1.00 0.00 H new ATOM 0 HG22 ILE A 38 2.450 -13.708 2.724 1.00 0.00 H new ATOM 0 HG23 ILE A 38 2.879 -12.999 4.299 1.00 0.00 H new ATOM 0 HD11 ILE A 38 7.145 -11.961 3.850 1.00 0.00 H new ATOM 0 HD12 ILE A 38 6.785 -12.926 2.398 1.00 0.00 H new ATOM 0 HD13 ILE A 38 5.665 -11.643 2.915 1.00 0.00 H new ATOM 566 N SER A 39 3.023 -16.516 2.173 1.00 0.00 N ATOM 567 CA SER A 39 1.915 -17.105 1.430 1.00 0.00 C ATOM 568 C SER A 39 1.541 -18.469 2.002 1.00 0.00 C ATOM 569 O SER A 39 0.434 -18.962 1.785 1.00 0.00 O ATOM 570 CB SER A 39 2.281 -17.242 -0.049 1.00 0.00 C ATOM 571 OG SER A 39 3.218 -16.252 -0.437 1.00 0.00 O ATOM 0 H SER A 39 3.912 -16.513 1.673 1.00 0.00 H new ATOM 0 HA SER A 39 1.054 -16.443 1.524 1.00 0.00 H new ATOM 0 HB2 SER A 39 2.697 -18.233 -0.234 1.00 0.00 H new ATOM 0 HB3 SER A 39 1.382 -17.155 -0.659 1.00 0.00 H new ATOM 0 HG SER A 39 4.127 -16.597 -0.316 1.00 0.00 H new ATOM 577 N ILE A 40 2.473 -19.073 2.732 1.00 0.00 N ATOM 578 CA ILE A 40 2.242 -20.379 3.336 1.00 0.00 C ATOM 579 C ILE A 40 1.336 -20.268 4.557 1.00 0.00 C ATOM 580 O ILE A 40 0.274 -20.886 4.613 1.00 0.00 O ATOM 581 CB ILE A 40 3.564 -21.049 3.751 1.00 0.00 C ATOM 582 CG1 ILE A 40 4.321 -21.543 2.516 1.00 0.00 C ATOM 583 CG2 ILE A 40 3.297 -22.200 4.710 1.00 0.00 C ATOM 584 CD1 ILE A 40 5.589 -22.299 2.847 1.00 0.00 C ATOM 0 H ILE A 40 3.395 -18.679 2.919 1.00 0.00 H new ATOM 0 HA ILE A 40 1.754 -20.994 2.580 1.00 0.00 H new ATOM 0 HB ILE A 40 4.182 -20.311 4.262 1.00 0.00 H new ATOM 0 HG12 ILE A 40 3.665 -22.188 1.932 1.00 0.00 H new ATOM 0 HG13 ILE A 40 4.571 -20.689 1.887 1.00 0.00 H new ATOM 0 HG21 ILE A 40 4.242 -22.663 4.994 1.00 0.00 H new ATOM 0 HG22 ILE A 40 2.796 -21.822 5.601 1.00 0.00 H new ATOM 0 HG23 ILE A 40 2.662 -22.940 4.223 1.00 0.00 H new ATOM 0 HD11 ILE A 40 6.073 -22.619 1.924 1.00 0.00 H new ATOM 0 HD12 ILE A 40 6.264 -21.650 3.405 1.00 0.00 H new ATOM 0 HD13 ILE A 40 5.344 -23.173 3.450 1.00 0.00 H new ATOM 596 N ALA A 41 1.763 -19.473 5.533 1.00 0.00 N ATOM 597 CA ALA A 41 0.988 -19.276 6.752 1.00 0.00 C ATOM 598 C ALA A 41 -0.478 -19.006 6.434 1.00 0.00 C ATOM 599 O ALA A 41 -1.373 -19.625 7.010 1.00 0.00 O ATOM 600 CB ALA A 41 1.572 -18.134 7.570 1.00 0.00 C ATOM 0 H ALA A 41 2.641 -18.955 5.503 1.00 0.00 H new ATOM 0 HA ALA A 41 1.042 -20.193 7.339 1.00 0.00 H new ATOM 0 HB1 ALA A 41 0.983 -17.998 8.477 1.00 0.00 H new ATOM 0 HB2 ALA A 41 2.602 -18.368 7.838 1.00 0.00 H new ATOM 0 HB3 ALA A 41 1.549 -17.216 6.982 1.00 0.00 H new ATOM 606 N VAL A 42 -0.718 -18.078 5.513 1.00 0.00 N ATOM 607 CA VAL A 42 -2.077 -17.726 5.117 1.00 0.00 C ATOM 608 C VAL A 42 -2.687 -18.804 4.228 1.00 0.00 C ATOM 609 O VAL A 42 -3.886 -19.071 4.292 1.00 0.00 O ATOM 610 CB VAL A 42 -2.113 -16.379 4.371 1.00 0.00 C ATOM 611 CG1 VAL A 42 -1.624 -15.256 5.272 1.00 0.00 C ATOM 612 CG2 VAL A 42 -1.282 -16.453 3.099 1.00 0.00 C ATOM 0 H VAL A 42 0.011 -17.556 5.027 1.00 0.00 H new ATOM 0 HA VAL A 42 -2.662 -17.641 6.033 1.00 0.00 H new ATOM 0 HB VAL A 42 -3.145 -16.165 4.092 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -1.657 -14.312 4.728 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -2.265 -15.190 6.151 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -0.600 -15.460 5.584 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -1.318 -15.493 2.584 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -0.249 -16.690 3.353 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -1.683 -17.229 2.447 1.00 0.00 H new ATOM 622 N GLY A 43 -1.851 -19.422 3.398 1.00 0.00 N ATOM 623 CA GLY A 43 -2.326 -20.465 2.508 1.00 0.00 C ATOM 624 C GLY A 43 -2.513 -19.972 1.086 1.00 0.00 C ATOM 625 O GLY A 43 -3.245 -20.578 0.302 1.00 0.00 O ATOM 0 H GLY A 43 -0.854 -19.219 3.327 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -1.617 -21.293 2.512 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -3.273 -20.854 2.882 1.00 0.00 H new ATOM 629 N LEU A 44 -1.852 -18.870 0.752 1.00 0.00 N ATOM 630 CA LEU A 44 -1.949 -18.295 -0.585 1.00 0.00 C ATOM 631 C LEU A 44 -0.743 -18.682 -1.434 1.00 0.00 C ATOM 632 O LEU A 44 0.323 -19.027 -0.922 1.00 0.00 O ATOM 633 CB LEU A 44 -2.058 -16.771 -0.499 1.00 0.00 C ATOM 634 CG LEU A 44 -3.444 -16.215 -0.170 1.00 0.00 C ATOM 635 CD1 LEU A 44 -3.354 -14.744 0.207 1.00 0.00 C ATOM 636 CD2 LEU A 44 -4.390 -16.409 -1.346 1.00 0.00 C ATOM 0 H LEU A 44 -1.243 -18.356 1.389 1.00 0.00 H new ATOM 0 HA LEU A 44 -2.846 -18.692 -1.060 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -1.358 -16.419 0.259 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -1.736 -16.349 -1.451 1.00 0.00 H new ATOM 0 HG LEU A 44 -3.841 -16.764 0.684 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -4.350 -14.366 0.438 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -2.712 -14.631 1.080 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -2.936 -14.180 -0.627 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -5.371 -16.007 -1.094 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -3.998 -15.887 -2.219 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -4.480 -17.472 -1.569 1.00 0.00 H new ATOM 648 N PRO A 45 -0.911 -18.623 -2.763 1.00 0.00 N ATOM 649 CA PRO A 45 0.154 -18.962 -3.712 1.00 0.00 C ATOM 650 C PRO A 45 1.281 -17.934 -3.710 1.00 0.00 C ATOM 651 O PRO A 45 1.046 -16.744 -3.919 1.00 0.00 O ATOM 652 CB PRO A 45 -0.563 -18.968 -5.064 1.00 0.00 C ATOM 653 CG PRO A 45 -1.730 -18.061 -4.877 1.00 0.00 C ATOM 654 CD PRO A 45 -2.154 -18.221 -3.443 1.00 0.00 C ATOM 0 HA PRO A 45 0.633 -19.909 -3.465 1.00 0.00 H new ATOM 0 HB2 PRO A 45 0.091 -18.613 -5.861 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -0.883 -19.973 -5.338 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -1.459 -17.027 -5.091 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -2.541 -18.324 -5.555 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -2.553 -17.292 -3.036 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -2.933 -18.976 -3.336 1.00 0.00 H new ATOM 662 N GLN A 46 2.502 -18.402 -3.474 1.00 0.00 N ATOM 663 CA GLN A 46 3.664 -17.522 -3.445 1.00 0.00 C ATOM 664 C GLN A 46 3.644 -16.554 -4.624 1.00 0.00 C ATOM 665 O GLN A 46 3.979 -15.379 -4.481 1.00 0.00 O ATOM 666 CB GLN A 46 4.954 -18.344 -3.467 1.00 0.00 C ATOM 667 CG GLN A 46 6.182 -17.560 -3.034 1.00 0.00 C ATOM 668 CD GLN A 46 7.447 -18.396 -3.061 1.00 0.00 C ATOM 669 OE1 GLN A 46 7.453 -19.518 -3.568 1.00 0.00 O ATOM 670 NE2 GLN A 46 8.528 -17.852 -2.513 1.00 0.00 N ATOM 0 H GLN A 46 2.712 -19.385 -3.300 1.00 0.00 H new ATOM 0 HA GLN A 46 3.626 -16.943 -2.522 1.00 0.00 H new ATOM 0 HB2 GLN A 46 4.836 -19.208 -2.813 1.00 0.00 H new ATOM 0 HB3 GLN A 46 5.114 -18.727 -4.475 1.00 0.00 H new ATOM 0 HG2 GLN A 46 6.307 -16.697 -3.688 1.00 0.00 H new ATOM 0 HG3 GLN A 46 6.026 -17.176 -2.026 1.00 0.00 H new ATOM 0 HE21 GLN A 46 8.478 -16.919 -2.104 1.00 0.00 H new ATOM 0 HE22 GLN A 46 9.408 -18.367 -2.501 1.00 0.00 H new ATOM 679 N GLU A 47 3.248 -17.058 -5.789 1.00 0.00 N ATOM 680 CA GLU A 47 3.185 -16.237 -6.993 1.00 0.00 C ATOM 681 C GLU A 47 2.338 -14.990 -6.758 1.00 0.00 C ATOM 682 O GLU A 47 2.676 -13.900 -7.221 1.00 0.00 O ATOM 683 CB GLU A 47 2.610 -17.045 -8.159 1.00 0.00 C ATOM 684 CG GLU A 47 3.407 -18.299 -8.481 1.00 0.00 C ATOM 685 CD GLU A 47 4.903 -18.052 -8.492 1.00 0.00 C ATOM 686 OE1 GLU A 47 5.500 -17.984 -7.397 1.00 0.00 O ATOM 687 OE2 GLU A 47 5.477 -17.928 -9.594 1.00 0.00 O ATOM 0 H GLU A 47 2.967 -18.029 -5.925 1.00 0.00 H new ATOM 0 HA GLU A 47 4.199 -15.925 -7.242 1.00 0.00 H new ATOM 0 HB2 GLU A 47 1.584 -17.327 -7.924 1.00 0.00 H new ATOM 0 HB3 GLU A 47 2.571 -16.411 -9.045 1.00 0.00 H new ATOM 0 HG2 GLU A 47 3.175 -19.071 -7.747 1.00 0.00 H new ATOM 0 HG3 GLU A 47 3.098 -18.681 -9.454 1.00 0.00 H new ATOM 694 N PHE A 48 1.235 -15.159 -6.037 1.00 0.00 N ATOM 695 CA PHE A 48 0.337 -14.048 -5.741 1.00 0.00 C ATOM 696 C PHE A 48 0.976 -13.083 -4.746 1.00 0.00 C ATOM 697 O PHE A 48 1.240 -11.925 -5.069 1.00 0.00 O ATOM 698 CB PHE A 48 -0.989 -14.570 -5.184 1.00 0.00 C ATOM 699 CG PHE A 48 -1.922 -13.481 -4.738 1.00 0.00 C ATOM 700 CD1 PHE A 48 -2.776 -12.870 -5.641 1.00 0.00 C ATOM 701 CD2 PHE A 48 -1.945 -13.069 -3.415 1.00 0.00 C ATOM 702 CE1 PHE A 48 -3.635 -11.867 -5.233 1.00 0.00 C ATOM 703 CE2 PHE A 48 -2.802 -12.066 -3.001 1.00 0.00 C ATOM 704 CZ PHE A 48 -3.649 -11.466 -3.912 1.00 0.00 C ATOM 0 H PHE A 48 0.941 -16.054 -5.647 1.00 0.00 H new ATOM 0 HA PHE A 48 0.146 -13.511 -6.670 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -1.483 -15.171 -5.947 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -0.785 -15.230 -4.341 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -2.771 -13.181 -6.675 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -1.286 -13.537 -2.699 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -4.295 -11.397 -5.947 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -2.809 -11.752 -1.968 1.00 0.00 H new ATOM 0 HZ PHE A 48 -4.321 -10.684 -3.591 1.00 0.00 H new ATOM 714 N VAL A 49 1.219 -13.569 -3.533 1.00 0.00 N ATOM 715 CA VAL A 49 1.827 -12.752 -2.490 1.00 0.00 C ATOM 716 C VAL A 49 2.863 -11.798 -3.073 1.00 0.00 C ATOM 717 O VAL A 49 2.869 -10.606 -2.764 1.00 0.00 O ATOM 718 CB VAL A 49 2.497 -13.624 -1.412 1.00 0.00 C ATOM 719 CG1 VAL A 49 3.470 -12.798 -0.584 1.00 0.00 C ATOM 720 CG2 VAL A 49 1.447 -14.274 -0.524 1.00 0.00 C ATOM 0 H VAL A 49 1.004 -14.525 -3.248 1.00 0.00 H new ATOM 0 HA VAL A 49 1.024 -12.175 -2.032 1.00 0.00 H new ATOM 0 HB VAL A 49 3.060 -14.414 -1.908 1.00 0.00 H new ATOM 0 HG11 VAL A 49 3.933 -13.432 0.172 1.00 0.00 H new ATOM 0 HG12 VAL A 49 4.242 -12.385 -1.234 1.00 0.00 H new ATOM 0 HG13 VAL A 49 2.933 -11.984 -0.096 1.00 0.00 H new ATOM 0 HG21 VAL A 49 1.938 -14.886 0.232 1.00 0.00 H new ATOM 0 HG22 VAL A 49 0.854 -13.501 -0.035 1.00 0.00 H new ATOM 0 HG23 VAL A 49 0.795 -14.901 -1.131 1.00 0.00 H new ATOM 730 N LYS A 50 3.739 -12.329 -3.918 1.00 0.00 N ATOM 731 CA LYS A 50 4.781 -11.526 -4.548 1.00 0.00 C ATOM 732 C LYS A 50 4.184 -10.299 -5.230 1.00 0.00 C ATOM 733 O LYS A 50 4.540 -9.166 -4.910 1.00 0.00 O ATOM 734 CB LYS A 50 5.554 -12.364 -5.568 1.00 0.00 C ATOM 735 CG LYS A 50 6.374 -11.535 -6.540 1.00 0.00 C ATOM 736 CD LYS A 50 7.654 -11.027 -5.898 1.00 0.00 C ATOM 737 CE LYS A 50 7.492 -9.606 -5.379 1.00 0.00 C ATOM 738 NZ LYS A 50 7.043 -9.582 -3.960 1.00 0.00 N ATOM 0 H LYS A 50 3.749 -13.314 -4.183 1.00 0.00 H new ATOM 0 HA LYS A 50 5.466 -11.190 -3.770 1.00 0.00 H new ATOM 0 HB2 LYS A 50 6.217 -13.047 -5.037 1.00 0.00 H new ATOM 0 HB3 LYS A 50 4.850 -12.977 -6.131 1.00 0.00 H new ATOM 0 HG2 LYS A 50 6.619 -12.136 -7.416 1.00 0.00 H new ATOM 0 HG3 LYS A 50 5.781 -10.690 -6.889 1.00 0.00 H new ATOM 0 HD2 LYS A 50 7.936 -11.685 -5.077 1.00 0.00 H new ATOM 0 HD3 LYS A 50 8.465 -11.059 -6.626 1.00 0.00 H new ATOM 0 HE2 LYS A 50 8.440 -9.076 -5.469 1.00 0.00 H new ATOM 0 HE3 LYS A 50 6.770 -9.074 -5.998 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 7.544 -8.826 -3.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 6.019 -9.405 -3.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 7.252 -10.498 -3.514 1.00 0.00 H new ATOM 752 N GLU A 51 3.273 -10.534 -6.169 1.00 0.00 N ATOM 753 CA GLU A 51 2.627 -9.447 -6.895 1.00 0.00 C ATOM 754 C GLU A 51 1.981 -8.457 -5.930 1.00 0.00 C ATOM 755 O GLU A 51 2.019 -7.246 -6.149 1.00 0.00 O ATOM 756 CB GLU A 51 1.573 -10.001 -7.856 1.00 0.00 C ATOM 757 CG GLU A 51 2.162 -10.722 -9.057 1.00 0.00 C ATOM 758 CD GLU A 51 1.200 -11.722 -9.667 1.00 0.00 C ATOM 759 OE1 GLU A 51 1.012 -12.804 -9.071 1.00 0.00 O ATOM 760 OE2 GLU A 51 0.634 -11.424 -10.740 1.00 0.00 O ATOM 0 H GLU A 51 2.966 -11.467 -6.445 1.00 0.00 H new ATOM 0 HA GLU A 51 3.391 -8.923 -7.469 1.00 0.00 H new ATOM 0 HB2 GLU A 51 0.924 -10.688 -7.313 1.00 0.00 H new ATOM 0 HB3 GLU A 51 0.947 -9.181 -8.207 1.00 0.00 H new ATOM 0 HG2 GLU A 51 2.446 -9.989 -9.812 1.00 0.00 H new ATOM 0 HG3 GLU A 51 3.073 -11.238 -8.755 1.00 0.00 H new ATOM 767 N TRP A 52 1.389 -8.981 -4.863 1.00 0.00 N ATOM 768 CA TRP A 52 0.734 -8.143 -3.865 1.00 0.00 C ATOM 769 C TRP A 52 1.714 -7.137 -3.271 1.00 0.00 C ATOM 770 O TRP A 52 1.414 -5.946 -3.175 1.00 0.00 O ATOM 771 CB TRP A 52 0.139 -9.010 -2.753 1.00 0.00 C ATOM 772 CG TRP A 52 -0.597 -8.219 -1.714 1.00 0.00 C ATOM 773 CD1 TRP A 52 -1.861 -7.712 -1.813 1.00 0.00 C ATOM 774 CD2 TRP A 52 -0.112 -7.846 -0.420 1.00 0.00 C ATOM 775 NE1 TRP A 52 -2.191 -7.045 -0.657 1.00 0.00 N ATOM 776 CE2 TRP A 52 -1.135 -7.113 0.213 1.00 0.00 C ATOM 777 CE3 TRP A 52 1.086 -8.060 0.267 1.00 0.00 C ATOM 778 CZ2 TRP A 52 -0.994 -6.595 1.497 1.00 0.00 C ATOM 779 CZ3 TRP A 52 1.224 -7.545 1.542 1.00 0.00 C ATOM 780 CH2 TRP A 52 0.189 -6.820 2.147 1.00 0.00 C ATOM 0 H TRP A 52 1.349 -9.981 -4.667 1.00 0.00 H new ATOM 0 HA TRP A 52 -0.068 -7.594 -4.358 1.00 0.00 H new ATOM 0 HB2 TRP A 52 -0.541 -9.738 -3.194 1.00 0.00 H new ATOM 0 HB3 TRP A 52 0.940 -9.572 -2.272 1.00 0.00 H new ATOM 0 HD1 TRP A 52 -2.506 -7.819 -2.672 1.00 0.00 H new ATOM 0 HE1 TRP A 52 -3.078 -6.576 -0.476 1.00 0.00 H new ATOM 0 HE3 TRP A 52 1.890 -8.618 -0.190 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 -1.791 -6.035 1.964 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 2.146 -7.704 2.082 1.00 0.00 H new ATOM 0 HH2 TRP A 52 0.327 -6.431 3.145 1.00 0.00 H new ATOM 791 N PHE A 53 2.886 -7.621 -2.875 1.00 0.00 N ATOM 792 CA PHE A 53 3.910 -6.763 -2.290 1.00 0.00 C ATOM 793 C PHE A 53 4.371 -5.707 -3.291 1.00 0.00 C ATOM 794 O PHE A 53 4.643 -4.565 -2.922 1.00 0.00 O ATOM 795 CB PHE A 53 5.104 -7.600 -1.828 1.00 0.00 C ATOM 796 CG PHE A 53 4.987 -8.079 -0.409 1.00 0.00 C ATOM 797 CD1 PHE A 53 5.464 -7.308 0.638 1.00 0.00 C ATOM 798 CD2 PHE A 53 4.400 -9.301 -0.123 1.00 0.00 C ATOM 799 CE1 PHE A 53 5.357 -7.746 1.945 1.00 0.00 C ATOM 800 CE2 PHE A 53 4.290 -9.744 1.181 1.00 0.00 C ATOM 801 CZ PHE A 53 4.770 -8.966 2.216 1.00 0.00 C ATOM 0 H PHE A 53 3.151 -8.603 -2.948 1.00 0.00 H new ATOM 0 HA PHE A 53 3.476 -6.256 -1.428 1.00 0.00 H new ATOM 0 HB2 PHE A 53 5.210 -8.462 -2.487 1.00 0.00 H new ATOM 0 HB3 PHE A 53 6.014 -7.008 -1.929 1.00 0.00 H new ATOM 0 HD1 PHE A 53 5.925 -6.353 0.431 1.00 0.00 H new ATOM 0 HD2 PHE A 53 4.024 -9.914 -0.929 1.00 0.00 H new ATOM 0 HE1 PHE A 53 5.732 -7.135 2.753 1.00 0.00 H new ATOM 0 HE2 PHE A 53 3.829 -10.698 1.391 1.00 0.00 H new ATOM 0 HZ PHE A 53 4.686 -9.311 3.236 1.00 0.00 H new ATOM 811 N GLU A 54 4.457 -6.099 -4.558 1.00 0.00 N ATOM 812 CA GLU A 54 4.887 -5.187 -5.612 1.00 0.00 C ATOM 813 C GLU A 54 4.033 -3.922 -5.618 1.00 0.00 C ATOM 814 O GLU A 54 4.556 -2.809 -5.668 1.00 0.00 O ATOM 815 CB GLU A 54 4.808 -5.876 -6.976 1.00 0.00 C ATOM 816 CG GLU A 54 5.810 -7.006 -7.147 1.00 0.00 C ATOM 817 CD GLU A 54 6.250 -7.183 -8.587 1.00 0.00 C ATOM 818 OE1 GLU A 54 5.433 -7.656 -9.404 1.00 0.00 O ATOM 819 OE2 GLU A 54 7.413 -6.847 -8.896 1.00 0.00 O ATOM 0 H GLU A 54 4.235 -7.041 -4.880 1.00 0.00 H new ATOM 0 HA GLU A 54 5.921 -4.905 -5.415 1.00 0.00 H new ATOM 0 HB2 GLU A 54 3.801 -6.270 -7.117 1.00 0.00 H new ATOM 0 HB3 GLU A 54 4.972 -5.135 -7.758 1.00 0.00 H new ATOM 0 HG2 GLU A 54 6.684 -6.809 -6.526 1.00 0.00 H new ATOM 0 HG3 GLU A 54 5.368 -7.936 -6.789 1.00 0.00 H new ATOM 826 N GLN A 55 2.718 -4.103 -5.568 1.00 0.00 N ATOM 827 CA GLN A 55 1.792 -2.977 -5.570 1.00 0.00 C ATOM 828 C GLN A 55 2.196 -1.939 -4.528 1.00 0.00 C ATOM 829 O GLN A 55 2.166 -0.736 -4.792 1.00 0.00 O ATOM 830 CB GLN A 55 0.366 -3.461 -5.298 1.00 0.00 C ATOM 831 CG GLN A 55 -0.335 -4.011 -6.529 1.00 0.00 C ATOM 832 CD GLN A 55 -1.813 -4.255 -6.299 1.00 0.00 C ATOM 833 OE1 GLN A 55 -2.589 -3.315 -6.122 1.00 0.00 O ATOM 834 NE2 GLN A 55 -2.212 -5.521 -6.301 1.00 0.00 N ATOM 0 H GLN A 55 2.270 -5.018 -5.526 1.00 0.00 H new ATOM 0 HA GLN A 55 1.828 -2.511 -6.555 1.00 0.00 H new ATOM 0 HB2 GLN A 55 0.394 -4.234 -4.530 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -0.219 -2.634 -4.896 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -0.211 -3.312 -7.356 1.00 0.00 H new ATOM 0 HG3 GLN A 55 0.141 -4.945 -6.827 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -1.535 -6.269 -6.452 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -3.196 -5.746 -6.152 1.00 0.00 H new ATOM 843 N ARG A 56 2.573 -2.411 -3.344 1.00 0.00 N ATOM 844 CA ARG A 56 2.982 -1.523 -2.263 1.00 0.00 C ATOM 845 C ARG A 56 4.112 -0.601 -2.713 1.00 0.00 C ATOM 846 O ARG A 56 4.204 0.546 -2.275 1.00 0.00 O ATOM 847 CB ARG A 56 3.427 -2.337 -1.047 1.00 0.00 C ATOM 848 CG ARG A 56 3.278 -1.595 0.271 1.00 0.00 C ATOM 849 CD ARG A 56 1.885 -1.770 0.855 1.00 0.00 C ATOM 850 NE ARG A 56 0.953 -0.762 0.359 1.00 0.00 N ATOM 851 CZ ARG A 56 -0.196 -0.465 0.956 1.00 0.00 C ATOM 852 NH1 ARG A 56 -0.552 -1.097 2.066 1.00 0.00 N ATOM 853 NH2 ARG A 56 -0.991 0.465 0.444 1.00 0.00 N ATOM 0 H ARG A 56 2.604 -3.403 -3.109 1.00 0.00 H new ATOM 0 HA ARG A 56 2.125 -0.909 -1.987 1.00 0.00 H new ATOM 0 HB2 ARG A 56 2.845 -3.257 -1.004 1.00 0.00 H new ATOM 0 HB3 ARG A 56 4.470 -2.626 -1.176 1.00 0.00 H new ATOM 0 HG2 ARG A 56 4.020 -1.960 0.981 1.00 0.00 H new ATOM 0 HG3 ARG A 56 3.479 -0.535 0.117 1.00 0.00 H new ATOM 0 HD2 ARG A 56 1.510 -2.763 0.607 1.00 0.00 H new ATOM 0 HD3 ARG A 56 1.938 -1.711 1.942 1.00 0.00 H new ATOM 0 HE ARG A 56 1.198 -0.258 -0.493 1.00 0.00 H new ATOM 0 HH11 ARG A 56 0.057 -1.813 2.463 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -1.435 -0.867 2.523 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -0.721 0.954 -0.410 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -1.873 0.692 0.904 1.00 0.00 H new ATOM 867 N LYS A 57 4.970 -1.111 -3.590 1.00 0.00 N ATOM 868 CA LYS A 57 6.093 -0.336 -4.101 1.00 0.00 C ATOM 869 C LYS A 57 5.616 0.741 -5.071 1.00 0.00 C ATOM 870 O LYS A 57 6.122 1.863 -5.068 1.00 0.00 O ATOM 871 CB LYS A 57 7.099 -1.255 -4.798 1.00 0.00 C ATOM 872 CG LYS A 57 7.641 -2.354 -3.902 1.00 0.00 C ATOM 873 CD LYS A 57 8.914 -2.960 -4.470 1.00 0.00 C ATOM 874 CE LYS A 57 8.610 -4.136 -5.386 1.00 0.00 C ATOM 875 NZ LYS A 57 9.817 -4.971 -5.636 1.00 0.00 N ATOM 0 H LYS A 57 4.908 -2.059 -3.962 1.00 0.00 H new ATOM 0 HA LYS A 57 6.579 0.151 -3.256 1.00 0.00 H new ATOM 0 HB2 LYS A 57 6.623 -1.708 -5.667 1.00 0.00 H new ATOM 0 HB3 LYS A 57 7.931 -0.655 -5.167 1.00 0.00 H new ATOM 0 HG2 LYS A 57 7.841 -1.950 -2.909 1.00 0.00 H new ATOM 0 HG3 LYS A 57 6.888 -3.133 -3.784 1.00 0.00 H new ATOM 0 HD2 LYS A 57 9.465 -2.199 -5.023 1.00 0.00 H new ATOM 0 HD3 LYS A 57 9.557 -3.290 -3.654 1.00 0.00 H new ATOM 0 HE2 LYS A 57 7.829 -4.751 -4.940 1.00 0.00 H new ATOM 0 HE3 LYS A 57 8.221 -3.766 -6.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 9.568 -5.762 -6.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 10.554 -4.390 -6.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 10.173 -5.345 -4.733 1.00 0.00 H new ATOM 889 N VAL A 58 4.636 0.392 -5.900 1.00 0.00 N ATOM 890 CA VAL A 58 4.088 1.329 -6.873 1.00 0.00 C ATOM 891 C VAL A 58 3.745 2.663 -6.219 1.00 0.00 C ATOM 892 O VAL A 58 3.913 3.723 -6.821 1.00 0.00 O ATOM 893 CB VAL A 58 2.826 0.761 -7.549 1.00 0.00 C ATOM 894 CG1 VAL A 58 2.304 1.727 -8.603 1.00 0.00 C ATOM 895 CG2 VAL A 58 3.116 -0.601 -8.160 1.00 0.00 C ATOM 0 H VAL A 58 4.206 -0.533 -5.917 1.00 0.00 H new ATOM 0 HA VAL A 58 4.857 1.486 -7.629 1.00 0.00 H new ATOM 0 HB VAL A 58 2.054 0.636 -6.790 1.00 0.00 H new ATOM 0 HG11 VAL A 58 1.412 1.309 -9.070 1.00 0.00 H new ATOM 0 HG12 VAL A 58 2.055 2.679 -8.133 1.00 0.00 H new ATOM 0 HG13 VAL A 58 3.070 1.886 -9.362 1.00 0.00 H new ATOM 0 HG21 VAL A 58 2.213 -0.987 -8.633 1.00 0.00 H new ATOM 0 HG22 VAL A 58 3.904 -0.504 -8.907 1.00 0.00 H new ATOM 0 HG23 VAL A 58 3.439 -1.289 -7.379 1.00 0.00 H new ATOM 905 N TYR A 59 3.263 2.602 -4.982 1.00 0.00 N ATOM 906 CA TYR A 59 2.894 3.805 -4.246 1.00 0.00 C ATOM 907 C TYR A 59 4.131 4.508 -3.696 1.00 0.00 C ATOM 908 O TYR A 59 4.366 5.683 -3.977 1.00 0.00 O ATOM 909 CB TYR A 59 1.941 3.456 -3.102 1.00 0.00 C ATOM 910 CG TYR A 59 1.025 2.293 -3.410 1.00 0.00 C ATOM 911 CD1 TYR A 59 0.188 2.316 -4.518 1.00 0.00 C ATOM 912 CD2 TYR A 59 0.998 1.169 -2.592 1.00 0.00 C ATOM 913 CE1 TYR A 59 -0.650 1.256 -4.803 1.00 0.00 C ATOM 914 CE2 TYR A 59 0.164 0.104 -2.870 1.00 0.00 C ATOM 915 CZ TYR A 59 -0.659 0.152 -3.976 1.00 0.00 C ATOM 916 OH TYR A 59 -1.492 -0.906 -4.256 1.00 0.00 O ATOM 0 H TYR A 59 3.119 1.732 -4.469 1.00 0.00 H new ATOM 0 HA TYR A 59 2.390 4.482 -4.936 1.00 0.00 H new ATOM 0 HB2 TYR A 59 2.525 3.222 -2.212 1.00 0.00 H new ATOM 0 HB3 TYR A 59 1.336 4.331 -2.865 1.00 0.00 H new ATOM 0 HD1 TYR A 59 0.193 3.178 -5.168 1.00 0.00 H new ATOM 0 HD2 TYR A 59 1.640 1.128 -1.725 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -1.295 1.291 -5.669 1.00 0.00 H new ATOM 0 HE2 TYR A 59 0.156 -0.762 -2.225 1.00 0.00 H new ATOM 0 HH TYR A 59 -1.517 -1.056 -5.224 1.00 0.00 H new ATOM 926 N GLN A 60 4.918 3.779 -2.912 1.00 0.00 N ATOM 927 CA GLN A 60 6.132 4.333 -2.322 1.00 0.00 C ATOM 928 C GLN A 60 7.043 4.915 -3.397 1.00 0.00 C ATOM 929 O GLN A 60 7.822 5.831 -3.135 1.00 0.00 O ATOM 930 CB GLN A 60 6.878 3.255 -1.533 1.00 0.00 C ATOM 931 CG GLN A 60 7.831 2.430 -2.382 1.00 0.00 C ATOM 932 CD GLN A 60 8.480 1.303 -1.603 1.00 0.00 C ATOM 933 OE1 GLN A 60 7.869 0.719 -0.707 1.00 0.00 O ATOM 934 NE2 GLN A 60 9.726 0.990 -1.940 1.00 0.00 N ATOM 0 H GLN A 60 4.738 2.805 -2.670 1.00 0.00 H new ATOM 0 HA GLN A 60 5.843 5.136 -1.644 1.00 0.00 H new ATOM 0 HB2 GLN A 60 7.439 3.729 -0.728 1.00 0.00 H new ATOM 0 HB3 GLN A 60 6.151 2.590 -1.066 1.00 0.00 H new ATOM 0 HG2 GLN A 60 7.288 2.014 -3.231 1.00 0.00 H new ATOM 0 HG3 GLN A 60 8.606 3.080 -2.787 1.00 0.00 H new ATOM 0 HE21 GLN A 60 10.195 1.500 -2.689 1.00 0.00 H new ATOM 0 HE22 GLN A 60 10.214 0.240 -1.450 1.00 0.00 H new ATOM 943 N TYR A 61 6.940 4.377 -4.607 1.00 0.00 N ATOM 944 CA TYR A 61 7.757 4.841 -5.722 1.00 0.00 C ATOM 945 C TYR A 61 7.034 5.927 -6.513 1.00 0.00 C ATOM 946 O TYR A 61 7.655 6.863 -7.016 1.00 0.00 O ATOM 947 CB TYR A 61 8.111 3.673 -6.644 1.00 0.00 C ATOM 948 CG TYR A 61 9.450 3.042 -6.335 1.00 0.00 C ATOM 949 CD1 TYR A 61 10.618 3.528 -6.911 1.00 0.00 C ATOM 950 CD2 TYR A 61 9.547 1.960 -5.470 1.00 0.00 C ATOM 951 CE1 TYR A 61 11.843 2.954 -6.632 1.00 0.00 C ATOM 952 CE2 TYR A 61 10.769 1.381 -5.185 1.00 0.00 C ATOM 953 CZ TYR A 61 11.914 1.881 -5.768 1.00 0.00 C ATOM 954 OH TYR A 61 13.132 1.306 -5.488 1.00 0.00 O ATOM 0 H TYR A 61 6.299 3.619 -4.841 1.00 0.00 H new ATOM 0 HA TYR A 61 8.675 5.264 -5.314 1.00 0.00 H new ATOM 0 HB2 TYR A 61 7.334 2.912 -6.568 1.00 0.00 H new ATOM 0 HB3 TYR A 61 8.113 4.024 -7.676 1.00 0.00 H new ATOM 0 HD1 TYR A 61 10.567 4.368 -7.588 1.00 0.00 H new ATOM 0 HD2 TYR A 61 8.652 1.564 -5.012 1.00 0.00 H new ATOM 0 HE1 TYR A 61 12.741 3.343 -7.088 1.00 0.00 H new ATOM 0 HE2 TYR A 61 10.827 0.541 -4.509 1.00 0.00 H new ATOM 0 HH TYR A 61 13.007 0.563 -4.861 1.00 0.00 H new ATOM 964 N SER A 62 5.715 5.794 -6.618 1.00 0.00 N ATOM 965 CA SER A 62 4.906 6.761 -7.349 1.00 0.00 C ATOM 966 C SER A 62 4.760 8.057 -6.558 1.00 0.00 C ATOM 967 O SER A 62 5.194 9.120 -7.000 1.00 0.00 O ATOM 968 CB SER A 62 3.525 6.177 -7.652 1.00 0.00 C ATOM 969 OG SER A 62 2.659 7.163 -8.187 1.00 0.00 O ATOM 0 H SER A 62 5.185 5.026 -6.206 1.00 0.00 H new ATOM 0 HA SER A 62 5.412 6.984 -8.288 1.00 0.00 H new ATOM 0 HB2 SER A 62 3.623 5.353 -8.358 1.00 0.00 H new ATOM 0 HB3 SER A 62 3.093 5.766 -6.740 1.00 0.00 H new ATOM 0 HG SER A 62 1.784 6.763 -8.373 1.00 0.00 H new ATOM 975 N ASN A 63 4.144 7.960 -5.384 1.00 0.00 N ATOM 976 CA ASN A 63 3.939 9.124 -4.530 1.00 0.00 C ATOM 977 C ASN A 63 5.249 9.558 -3.879 1.00 0.00 C ATOM 978 O ASN A 63 6.052 8.725 -3.461 1.00 0.00 O ATOM 979 CB ASN A 63 2.899 8.815 -3.451 1.00 0.00 C ATOM 980 CG ASN A 63 1.684 8.098 -4.009 1.00 0.00 C ATOM 981 OD1 ASN A 63 1.225 8.396 -5.111 1.00 0.00 O ATOM 982 ND2 ASN A 63 1.157 7.147 -3.246 1.00 0.00 N ATOM 0 H ASN A 63 3.778 7.087 -5.003 1.00 0.00 H new ATOM 0 HA ASN A 63 3.575 9.941 -5.153 1.00 0.00 H new ATOM 0 HB2 ASN A 63 3.356 8.201 -2.675 1.00 0.00 H new ATOM 0 HB3 ASN A 63 2.583 9.745 -2.977 1.00 0.00 H new ATOM 0 HD21 ASN A 63 0.338 6.630 -3.568 1.00 0.00 H new ATOM 0 HD22 ASN A 63 1.571 6.933 -2.339 1.00 0.00 H new ATOM 989 N SER A 64 5.456 10.869 -3.795 1.00 0.00 N ATOM 990 CA SER A 64 6.669 11.414 -3.198 1.00 0.00 C ATOM 991 C SER A 64 6.333 12.336 -2.030 1.00 0.00 C ATOM 992 O SER A 64 5.190 12.767 -1.874 1.00 0.00 O ATOM 993 CB SER A 64 7.481 12.177 -4.247 1.00 0.00 C ATOM 994 OG SER A 64 6.737 13.259 -4.780 1.00 0.00 O ATOM 0 H SER A 64 4.799 11.573 -4.133 1.00 0.00 H new ATOM 0 HA SER A 64 7.264 10.582 -2.822 1.00 0.00 H new ATOM 0 HB2 SER A 64 8.401 12.551 -3.798 1.00 0.00 H new ATOM 0 HB3 SER A 64 7.770 11.500 -5.051 1.00 0.00 H new ATOM 0 HG SER A 64 7.278 13.731 -5.446 1.00 0.00 H new ATOM 1000 N ARG A 65 7.336 12.635 -1.212 1.00 0.00 N ATOM 1001 CA ARG A 65 7.148 13.505 -0.057 1.00 0.00 C ATOM 1002 C ARG A 65 8.345 14.433 0.125 1.00 0.00 C ATOM 1003 O ARG A 65 9.359 14.297 -0.559 1.00 0.00 O ATOM 1004 CB ARG A 65 6.938 12.670 1.208 1.00 0.00 C ATOM 1005 CG ARG A 65 5.653 11.859 1.196 1.00 0.00 C ATOM 1006 CD ARG A 65 4.473 12.679 1.693 1.00 0.00 C ATOM 1007 NE ARG A 65 3.417 11.837 2.250 1.00 0.00 N ATOM 1008 CZ ARG A 65 2.502 12.276 3.107 1.00 0.00 C ATOM 1009 NH1 ARG A 65 2.513 13.541 3.503 1.00 0.00 N ATOM 1010 NH2 ARG A 65 1.573 11.449 3.569 1.00 0.00 N ATOM 0 H ARG A 65 8.288 12.288 -1.327 1.00 0.00 H new ATOM 0 HA ARG A 65 6.262 14.115 -0.233 1.00 0.00 H new ATOM 0 HB2 ARG A 65 7.784 11.993 1.331 1.00 0.00 H new ATOM 0 HB3 ARG A 65 6.931 13.333 2.074 1.00 0.00 H new ATOM 0 HG2 ARG A 65 5.453 11.507 0.184 1.00 0.00 H new ATOM 0 HG3 ARG A 65 5.773 10.975 1.823 1.00 0.00 H new ATOM 0 HD2 ARG A 65 4.815 13.382 2.453 1.00 0.00 H new ATOM 0 HD3 ARG A 65 4.070 13.270 0.870 1.00 0.00 H new ATOM 0 HE ARG A 65 3.380 10.858 1.965 1.00 0.00 H new ATOM 0 HH11 ARG A 65 3.225 14.180 3.150 1.00 0.00 H new ATOM 0 HH12 ARG A 65 1.809 13.876 4.161 1.00 0.00 H new ATOM 0 HH21 ARG A 65 1.561 10.475 3.266 1.00 0.00 H new ATOM 0 HH22 ARG A 65 0.871 11.787 4.227 1.00 0.00 H new ATOM 1024 N SER A 66 8.220 15.376 1.053 1.00 0.00 N ATOM 1025 CA SER A 66 9.289 16.330 1.323 1.00 0.00 C ATOM 1026 C SER A 66 10.576 15.608 1.712 1.00 0.00 C ATOM 1027 O SER A 66 11.654 15.925 1.213 1.00 0.00 O ATOM 1028 CB SER A 66 8.874 17.292 2.438 1.00 0.00 C ATOM 1029 OG SER A 66 9.858 18.291 2.642 1.00 0.00 O ATOM 0 H SER A 66 7.389 15.500 1.631 1.00 0.00 H new ATOM 0 HA SER A 66 9.473 16.899 0.412 1.00 0.00 H new ATOM 0 HB2 SER A 66 7.923 17.760 2.183 1.00 0.00 H new ATOM 0 HB3 SER A 66 8.718 16.736 3.363 1.00 0.00 H new ATOM 0 HG SER A 66 9.568 18.894 3.358 1.00 0.00 H new ATOM 1035 N GLY A 67 10.452 14.633 2.608 1.00 0.00 N ATOM 1036 CA GLY A 67 11.612 13.881 3.050 1.00 0.00 C ATOM 1037 C GLY A 67 11.392 13.211 4.392 1.00 0.00 C ATOM 1038 O GLY A 67 10.732 13.752 5.279 1.00 0.00 O ATOM 0 H GLY A 67 9.570 14.351 3.035 1.00 0.00 H new ATOM 0 HA2 GLY A 67 11.856 13.124 2.305 1.00 0.00 H new ATOM 0 HA3 GLY A 67 12.470 14.549 3.117 1.00 0.00 H new ATOM 1042 N PRO A 68 11.951 12.003 4.553 1.00 0.00 N ATOM 1043 CA PRO A 68 11.825 11.231 5.794 1.00 0.00 C ATOM 1044 C PRO A 68 12.605 11.855 6.946 1.00 0.00 C ATOM 1045 O PRO A 68 13.752 11.488 7.203 1.00 0.00 O ATOM 1046 CB PRO A 68 12.416 9.868 5.425 1.00 0.00 C ATOM 1047 CG PRO A 68 13.355 10.152 4.304 1.00 0.00 C ATOM 1048 CD PRO A 68 12.751 11.297 3.538 1.00 0.00 C ATOM 0 HA PRO A 68 10.793 11.184 6.142 1.00 0.00 H new ATOM 0 HB2 PRO A 68 12.935 9.419 6.272 1.00 0.00 H new ATOM 0 HB3 PRO A 68 11.637 9.168 5.121 1.00 0.00 H new ATOM 0 HG2 PRO A 68 14.344 10.413 4.680 1.00 0.00 H new ATOM 0 HG3 PRO A 68 13.477 9.277 3.666 1.00 0.00 H new ATOM 0 HD2 PRO A 68 13.518 11.943 3.110 1.00 0.00 H new ATOM 0 HD3 PRO A 68 12.133 10.946 2.712 1.00 0.00 H new ATOM 1056 N SER A 69 11.976 12.800 7.638 1.00 0.00 N ATOM 1057 CA SER A 69 12.612 13.477 8.761 1.00 0.00 C ATOM 1058 C SER A 69 13.941 14.096 8.340 1.00 0.00 C ATOM 1059 O SER A 69 14.942 13.987 9.049 1.00 0.00 O ATOM 1060 CB SER A 69 12.835 12.497 9.915 1.00 0.00 C ATOM 1061 OG SER A 69 11.617 11.896 10.316 1.00 0.00 O ATOM 0 H SER A 69 11.026 13.114 7.440 1.00 0.00 H new ATOM 0 HA SER A 69 11.949 14.275 9.095 1.00 0.00 H new ATOM 0 HB2 SER A 69 13.542 11.725 9.609 1.00 0.00 H new ATOM 0 HB3 SER A 69 13.281 13.021 10.760 1.00 0.00 H new ATOM 0 HG SER A 69 11.787 11.273 11.053 1.00 0.00 H new ATOM 1067 N SER A 70 13.944 14.745 7.180 1.00 0.00 N ATOM 1068 CA SER A 70 15.150 15.378 6.661 1.00 0.00 C ATOM 1069 C SER A 70 15.030 16.899 6.711 1.00 0.00 C ATOM 1070 O SER A 70 13.952 17.454 6.502 1.00 0.00 O ATOM 1071 CB SER A 70 15.414 14.923 5.225 1.00 0.00 C ATOM 1072 OG SER A 70 14.593 15.626 4.308 1.00 0.00 O ATOM 0 H SER A 70 13.124 14.846 6.582 1.00 0.00 H new ATOM 0 HA SER A 70 15.988 15.076 7.289 1.00 0.00 H new ATOM 0 HB2 SER A 70 16.463 15.084 4.976 1.00 0.00 H new ATOM 0 HB3 SER A 70 15.227 13.853 5.139 1.00 0.00 H new ATOM 0 HG SER A 70 14.782 15.318 3.397 1.00 0.00 H new ATOM 1078 N GLY A 71 16.146 17.566 6.988 1.00 0.00 N ATOM 1079 CA GLY A 71 16.145 19.015 7.060 1.00 0.00 C ATOM 1080 C GLY A 71 17.457 19.570 7.580 1.00 0.00 C ATOM 1081 O GLY A 71 17.633 19.736 8.787 1.00 0.00 O ATOM 0 H GLY A 71 17.051 17.129 7.164 1.00 0.00 H new ATOM 0 HA2 GLY A 71 15.948 19.425 6.069 1.00 0.00 H new ATOM 0 HA3 GLY A 71 15.333 19.343 7.708 1.00 0.00 H new TER 1085 GLY A 71