USER MOD reduce.3.24.130724 H: found=0, std=0, add=758, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 755 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 14 HIS : no HD1:sc= -8.41! C(o=-8.4!,f=-13!) USER MOD Set 1.2: A 16 SER OG : rot -149:sc= 0.00207 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 64:sc= 0.00685 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 10 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 12 ASN : amide:sc= -0.632! C(o=-0.63!,f=-5.2!) USER MOD Single : A 13 GLN : amide:sc=-0.00775 X(o=-0.0078,f=-0.48) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 GLN : amide:sc= -0.0189 X(o=-0.019,f=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= -2.26! K(o=-2.3!,f=-0.33) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot -18:sc= 1 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 ASN : amide:sc= -3.16! C(o=-3.2!,f=-6.1!) USER MOD Single : A 46 TYR OH : rot 36:sc= -0.474 USER MOD Single : A 47 LYS NZ :NH3+ 142:sc= -0.652 (180deg=-2.33!) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= -4.23! C(o=-4.2!,f=-6.8!) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0.0227 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 GLN : amide:sc= -0.0251 X(o=-0.025,f=-0.11) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 GLN : amide:sc= 0.491 K(o=0.49,f=-4.1!) USER MOD Single : A 82 THR OG1 : rot 170:sc= -5.11! USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 GLN : amide:sc= -0.104 K(o=-0.1,f=-0.84) USER MOD Single : A 92 ASN : amide:sc= -2.25! C(o=-2.3!,f=-1.8!) USER MOD Single : A 94 SER OG : rot -130:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -35.821 -29.958 13.486 1.00 0.00 N ATOM 2 CA GLY A 1 -35.190 -29.211 12.411 1.00 0.00 C ATOM 3 C GLY A 1 -35.616 -27.742 12.441 1.00 0.00 C ATOM 4 O GLY A 1 -35.577 -27.102 13.491 1.00 0.00 O ATOM 0 H1 GLY A 1 -35.516 -30.951 13.444 1.00 0.00 H new ATOM 0 H2 GLY A 1 -35.545 -29.549 14.402 1.00 0.00 H new ATOM 0 H3 GLY A 1 -36.855 -29.909 13.383 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -34.106 -29.281 12.502 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -35.458 -29.652 11.451 1.00 0.00 H new ATOM 8 N SER A 2 -36.013 -27.250 11.277 1.00 0.00 N ATOM 9 CA SER A 2 -36.446 -25.868 11.156 1.00 0.00 C ATOM 10 C SER A 2 -35.296 -24.926 11.517 1.00 0.00 C ATOM 11 O SER A 2 -34.274 -25.362 12.045 1.00 0.00 O ATOM 12 CB SER A 2 -37.658 -25.591 12.048 1.00 0.00 C ATOM 13 OG SER A 2 -38.662 -26.593 11.912 1.00 0.00 O ATOM 0 H SER A 2 -36.044 -27.784 10.408 1.00 0.00 H new ATOM 0 HA SER A 2 -36.741 -25.691 10.122 1.00 0.00 H new ATOM 0 HB2 SER A 2 -37.338 -25.538 13.088 1.00 0.00 H new ATOM 0 HB3 SER A 2 -38.080 -24.618 11.794 1.00 0.00 H new ATOM 0 HG SER A 2 -39.418 -26.381 12.499 1.00 0.00 H new ATOM 19 N SER A 3 -35.500 -23.652 11.218 1.00 0.00 N ATOM 20 CA SER A 3 -34.493 -22.645 11.504 1.00 0.00 C ATOM 21 C SER A 3 -33.251 -22.888 10.644 1.00 0.00 C ATOM 22 O SER A 3 -33.048 -23.991 10.138 1.00 0.00 O ATOM 23 CB SER A 3 -34.119 -22.645 12.987 1.00 0.00 C ATOM 24 OG SER A 3 -34.488 -21.428 13.631 1.00 0.00 O ATOM 0 H SER A 3 -36.349 -23.294 10.780 1.00 0.00 H new ATOM 0 HA SER A 3 -34.910 -21.667 11.262 1.00 0.00 H new ATOM 0 HB2 SER A 3 -34.610 -23.482 13.485 1.00 0.00 H new ATOM 0 HB3 SER A 3 -33.045 -22.798 13.090 1.00 0.00 H new ATOM 0 HG SER A 3 -34.234 -21.468 14.577 1.00 0.00 H new ATOM 30 N GLY A 4 -32.452 -21.840 10.505 1.00 0.00 N ATOM 31 CA GLY A 4 -31.235 -21.927 9.715 1.00 0.00 C ATOM 32 C GLY A 4 -30.121 -21.077 10.331 1.00 0.00 C ATOM 33 O GLY A 4 -30.266 -20.565 11.439 1.00 0.00 O ATOM 0 H GLY A 4 -32.623 -20.927 10.926 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -30.912 -22.966 9.651 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -31.433 -21.592 8.697 1.00 0.00 H new ATOM 37 N SER A 5 -29.033 -20.955 9.584 1.00 0.00 N ATOM 38 CA SER A 5 -27.895 -20.177 10.042 1.00 0.00 C ATOM 39 C SER A 5 -26.774 -20.227 9.002 1.00 0.00 C ATOM 40 O SER A 5 -26.773 -21.090 8.126 1.00 0.00 O ATOM 41 CB SER A 5 -27.388 -20.685 11.393 1.00 0.00 C ATOM 42 OG SER A 5 -27.529 -19.706 12.419 1.00 0.00 O ATOM 0 H SER A 5 -28.916 -21.382 8.665 1.00 0.00 H new ATOM 0 HA SER A 5 -28.217 -19.144 10.170 1.00 0.00 H new ATOM 0 HB2 SER A 5 -27.938 -21.584 11.672 1.00 0.00 H new ATOM 0 HB3 SER A 5 -26.339 -20.968 11.303 1.00 0.00 H new ATOM 0 HG SER A 5 -28.480 -19.519 12.564 1.00 0.00 H new ATOM 48 N SER A 6 -25.846 -19.290 9.133 1.00 0.00 N ATOM 49 CA SER A 6 -24.722 -19.217 8.215 1.00 0.00 C ATOM 50 C SER A 6 -23.470 -18.745 8.957 1.00 0.00 C ATOM 51 O SER A 6 -23.568 -18.050 9.967 1.00 0.00 O ATOM 52 CB SER A 6 -25.028 -18.282 7.043 1.00 0.00 C ATOM 53 OG SER A 6 -25.502 -17.013 7.482 1.00 0.00 O ATOM 0 H SER A 6 -25.850 -18.575 9.861 1.00 0.00 H new ATOM 0 HA SER A 6 -24.544 -20.214 7.813 1.00 0.00 H new ATOM 0 HB2 SER A 6 -24.128 -18.145 6.444 1.00 0.00 H new ATOM 0 HB3 SER A 6 -25.774 -18.744 6.396 1.00 0.00 H new ATOM 0 HG SER A 6 -25.684 -16.445 6.704 1.00 0.00 H new ATOM 59 N GLY A 7 -22.322 -19.142 8.428 1.00 0.00 N ATOM 60 CA GLY A 7 -21.053 -18.768 9.027 1.00 0.00 C ATOM 61 C GLY A 7 -19.896 -19.003 8.054 1.00 0.00 C ATOM 62 O GLY A 7 -19.939 -18.550 6.911 1.00 0.00 O ATOM 0 H GLY A 7 -22.245 -19.719 7.591 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -21.080 -17.718 9.318 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -20.891 -19.347 9.936 1.00 0.00 H new ATOM 66 N MET A 8 -18.888 -19.712 8.543 1.00 0.00 N ATOM 67 CA MET A 8 -17.722 -20.013 7.730 1.00 0.00 C ATOM 68 C MET A 8 -17.496 -21.523 7.633 1.00 0.00 C ATOM 69 O MET A 8 -17.487 -22.219 8.647 1.00 0.00 O ATOM 70 CB MET A 8 -16.487 -19.350 8.345 1.00 0.00 C ATOM 71 CG MET A 8 -15.607 -18.721 7.263 1.00 0.00 C ATOM 72 SD MET A 8 -14.721 -17.323 7.933 1.00 0.00 S ATOM 73 CE MET A 8 -13.522 -17.066 6.636 1.00 0.00 C ATOM 0 H MET A 8 -18.855 -20.086 9.491 1.00 0.00 H new ATOM 0 HA MET A 8 -17.892 -19.625 6.726 1.00 0.00 H new ATOM 0 HB2 MET A 8 -16.797 -18.585 9.057 1.00 0.00 H new ATOM 0 HB3 MET A 8 -15.912 -20.090 8.902 1.00 0.00 H new ATOM 0 HG2 MET A 8 -14.902 -19.460 6.881 1.00 0.00 H new ATOM 0 HG3 MET A 8 -16.222 -18.403 6.422 1.00 0.00 H new ATOM 0 HE1 MET A 8 -12.881 -16.223 6.895 1.00 0.00 H new ATOM 0 HE2 MET A 8 -12.913 -17.963 6.521 1.00 0.00 H new ATOM 0 HE3 MET A 8 -14.039 -16.855 5.700 1.00 0.00 H new ATOM 83 N ASP A 9 -17.320 -21.985 6.404 1.00 0.00 N ATOM 84 CA ASP A 9 -17.095 -23.399 6.161 1.00 0.00 C ATOM 85 C ASP A 9 -16.380 -23.575 4.820 1.00 0.00 C ATOM 86 O ASP A 9 -16.693 -22.886 3.850 1.00 0.00 O ATOM 87 CB ASP A 9 -18.419 -24.164 6.094 1.00 0.00 C ATOM 88 CG ASP A 9 -18.480 -25.427 6.955 1.00 0.00 C ATOM 89 OD1 ASP A 9 -17.487 -26.185 6.921 1.00 0.00 O ATOM 90 OD2 ASP A 9 -19.519 -25.606 7.627 1.00 0.00 O ATOM 0 H ASP A 9 -17.329 -21.404 5.565 1.00 0.00 H new ATOM 0 HA ASP A 9 -16.493 -23.790 6.981 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -19.224 -23.495 6.399 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -18.610 -24.440 5.057 1.00 0.00 H new ATOM 95 N MET A 10 -15.432 -24.500 4.808 1.00 0.00 N ATOM 96 CA MET A 10 -14.669 -24.775 3.602 1.00 0.00 C ATOM 97 C MET A 10 -14.001 -23.504 3.074 1.00 0.00 C ATOM 98 O MET A 10 -14.589 -22.773 2.279 1.00 0.00 O ATOM 99 CB MET A 10 -15.599 -25.346 2.529 1.00 0.00 C ATOM 100 CG MET A 10 -15.142 -26.740 2.093 1.00 0.00 C ATOM 101 SD MET A 10 -14.481 -26.676 0.436 1.00 0.00 S ATOM 102 CE MET A 10 -13.424 -28.114 0.468 1.00 0.00 C ATOM 0 H MET A 10 -15.175 -25.069 5.614 1.00 0.00 H new ATOM 0 HA MET A 10 -13.891 -25.499 3.844 1.00 0.00 H new ATOM 0 HB2 MET A 10 -16.617 -25.397 2.915 1.00 0.00 H new ATOM 0 HB3 MET A 10 -15.618 -24.679 1.667 1.00 0.00 H new ATOM 0 HG2 MET A 10 -14.384 -27.115 2.781 1.00 0.00 H new ATOM 0 HG3 MET A 10 -15.981 -27.435 2.132 1.00 0.00 H new ATOM 0 HE1 MET A 10 -12.930 -28.224 -0.497 1.00 0.00 H new ATOM 0 HE2 MET A 10 -12.673 -27.996 1.249 1.00 0.00 H new ATOM 0 HE3 MET A 10 -14.023 -29.002 0.672 1.00 0.00 H new ATOM 112 N GLY A 11 -12.781 -23.279 3.539 1.00 0.00 N ATOM 113 CA GLY A 11 -12.026 -22.108 3.124 1.00 0.00 C ATOM 114 C GLY A 11 -10.825 -21.876 4.043 1.00 0.00 C ATOM 115 O GLY A 11 -10.991 -21.631 5.237 1.00 0.00 O ATOM 0 H GLY A 11 -12.296 -23.887 4.199 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -11.683 -22.237 2.097 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -12.673 -21.231 3.136 1.00 0.00 H new ATOM 119 N ASN A 12 -9.643 -21.961 3.452 1.00 0.00 N ATOM 120 CA ASN A 12 -8.415 -21.763 4.203 1.00 0.00 C ATOM 121 C ASN A 12 -7.892 -20.347 3.953 1.00 0.00 C ATOM 122 O ASN A 12 -7.529 -20.005 2.828 1.00 0.00 O ATOM 123 CB ASN A 12 -7.334 -22.751 3.761 1.00 0.00 C ATOM 124 CG ASN A 12 -6.914 -22.493 2.312 1.00 0.00 C ATOM 125 OD1 ASN A 12 -7.732 -22.325 1.422 1.00 0.00 O ATOM 126 ND2 ASN A 12 -5.597 -22.471 2.126 1.00 0.00 N ATOM 0 H ASN A 12 -9.509 -22.164 2.461 1.00 0.00 H new ATOM 0 HA ASN A 12 -8.636 -21.919 5.259 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -6.467 -22.664 4.416 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -7.706 -23.771 3.859 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -5.216 -22.306 1.194 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -4.968 -22.619 2.915 1.00 0.00 H new ATOM 133 N GLN A 13 -7.870 -19.561 5.019 1.00 0.00 N ATOM 134 CA GLN A 13 -7.398 -18.190 4.930 1.00 0.00 C ATOM 135 C GLN A 13 -5.879 -18.163 4.747 1.00 0.00 C ATOM 136 O GLN A 13 -5.132 -18.184 5.724 1.00 0.00 O ATOM 137 CB GLN A 13 -7.817 -17.384 6.161 1.00 0.00 C ATOM 138 CG GLN A 13 -7.607 -15.886 5.933 1.00 0.00 C ATOM 139 CD GLN A 13 -8.677 -15.066 6.657 1.00 0.00 C ATOM 140 OE1 GLN A 13 -9.239 -15.478 7.659 1.00 0.00 O ATOM 141 NE2 GLN A 13 -8.927 -13.887 6.096 1.00 0.00 N ATOM 0 H GLN A 13 -8.172 -19.848 5.950 1.00 0.00 H new ATOM 0 HA GLN A 13 -7.858 -17.724 4.059 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -8.866 -17.578 6.387 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -7.239 -17.708 7.026 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -6.618 -15.595 6.289 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -7.638 -15.669 4.865 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -8.420 -13.603 5.257 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -9.626 -13.266 6.504 1.00 0.00 H new ATOM 150 N HIS A 14 -5.467 -18.115 3.489 1.00 0.00 N ATOM 151 CA HIS A 14 -4.051 -18.085 3.166 1.00 0.00 C ATOM 152 C HIS A 14 -3.318 -17.179 4.157 1.00 0.00 C ATOM 153 O HIS A 14 -3.853 -16.155 4.580 1.00 0.00 O ATOM 154 CB HIS A 14 -3.835 -17.668 1.709 1.00 0.00 C ATOM 155 CG HIS A 14 -2.558 -18.198 1.102 1.00 0.00 C ATOM 156 ND1 HIS A 14 -1.386 -17.463 1.060 1.00 0.00 N ATOM 157 CD2 HIS A 14 -2.282 -19.397 0.513 1.00 0.00 C ATOM 158 CE1 HIS A 14 -0.454 -18.197 0.470 1.00 0.00 C ATOM 159 NE2 HIS A 14 -1.011 -19.395 0.131 1.00 0.00 N ATOM 0 H HIS A 14 -6.089 -18.096 2.681 1.00 0.00 H new ATOM 0 HA HIS A 14 -3.631 -19.086 3.263 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -4.680 -18.015 1.113 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -3.829 -16.580 1.650 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -2.980 -20.210 0.380 1.00 0.00 H new ATOM 0 HE1 HIS A 14 0.568 -17.899 0.289 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -0.530 -20.162 -0.338 1.00 0.00 H new ATOM 167 N PRO A 15 -2.073 -17.599 4.507 1.00 0.00 N ATOM 168 CA PRO A 15 -1.261 -16.837 5.440 1.00 0.00 C ATOM 169 C PRO A 15 -0.688 -15.584 4.773 1.00 0.00 C ATOM 170 O PRO A 15 -0.354 -14.614 5.451 1.00 0.00 O ATOM 171 CB PRO A 15 -0.186 -17.805 5.907 1.00 0.00 C ATOM 172 CG PRO A 15 -0.154 -18.922 4.877 1.00 0.00 C ATOM 173 CD PRO A 15 -1.407 -18.806 4.025 1.00 0.00 C ATOM 0 HA PRO A 15 -1.835 -16.460 6.287 1.00 0.00 H new ATOM 0 HB2 PRO A 15 0.782 -17.309 5.976 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -0.416 -18.195 6.899 1.00 0.00 H new ATOM 0 HG2 PRO A 15 0.738 -18.843 4.256 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -0.115 -19.894 5.369 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -1.160 -18.726 2.966 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -2.045 -19.682 4.138 1.00 0.00 H new ATOM 181 N SER A 16 -0.592 -15.647 3.453 1.00 0.00 N ATOM 182 CA SER A 16 -0.066 -14.530 2.687 1.00 0.00 C ATOM 183 C SER A 16 -1.161 -13.485 2.466 1.00 0.00 C ATOM 184 O SER A 16 -0.901 -12.285 2.531 1.00 0.00 O ATOM 185 CB SER A 16 0.498 -15.000 1.345 1.00 0.00 C ATOM 186 OG SER A 16 1.555 -15.941 1.510 1.00 0.00 O ATOM 0 H SER A 16 -0.870 -16.454 2.895 1.00 0.00 H new ATOM 0 HA SER A 16 0.748 -14.079 3.255 1.00 0.00 H new ATOM 0 HB2 SER A 16 -0.300 -15.451 0.754 1.00 0.00 H new ATOM 0 HB3 SER A 16 0.863 -14.140 0.784 1.00 0.00 H new ATOM 0 HG SER A 16 2.188 -15.856 0.766 1.00 0.00 H new ATOM 192 N ILE A 17 -2.363 -13.979 2.209 1.00 0.00 N ATOM 193 CA ILE A 17 -3.499 -13.103 1.978 1.00 0.00 C ATOM 194 C ILE A 17 -3.864 -12.394 3.284 1.00 0.00 C ATOM 195 O ILE A 17 -4.044 -11.177 3.304 1.00 0.00 O ATOM 196 CB ILE A 17 -4.660 -13.883 1.356 1.00 0.00 C ATOM 197 CG1 ILE A 17 -4.287 -14.407 -0.032 1.00 0.00 C ATOM 198 CG2 ILE A 17 -5.935 -13.037 1.327 1.00 0.00 C ATOM 199 CD1 ILE A 17 -4.379 -13.296 -1.080 1.00 0.00 C ATOM 0 H ILE A 17 -2.575 -14.975 2.156 1.00 0.00 H new ATOM 0 HA ILE A 17 -3.242 -12.329 1.255 1.00 0.00 H new ATOM 0 HB ILE A 17 -4.864 -14.751 1.983 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -3.275 -14.811 -0.012 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -4.952 -15.226 -0.306 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -6.745 -13.614 0.880 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -6.208 -12.756 2.344 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -5.762 -12.138 0.736 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -4.109 -13.695 -2.058 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -5.398 -12.911 -1.114 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -3.695 -12.489 -0.816 1.00 0.00 H new ATOM 211 N SER A 18 -3.963 -13.185 4.342 1.00 0.00 N ATOM 212 CA SER A 18 -4.304 -12.647 5.648 1.00 0.00 C ATOM 213 C SER A 18 -3.387 -11.470 5.985 1.00 0.00 C ATOM 214 O SER A 18 -3.751 -10.601 6.776 1.00 0.00 O ATOM 215 CB SER A 18 -4.204 -13.725 6.730 1.00 0.00 C ATOM 216 OG SER A 18 -4.379 -13.186 8.038 1.00 0.00 O ATOM 0 H SER A 18 -3.813 -14.194 4.322 1.00 0.00 H new ATOM 0 HA SER A 18 -5.336 -12.297 5.615 1.00 0.00 H new ATOM 0 HB2 SER A 18 -4.958 -14.491 6.550 1.00 0.00 H new ATOM 0 HB3 SER A 18 -3.232 -14.214 6.666 1.00 0.00 H new ATOM 0 HG SER A 18 -4.310 -13.905 8.700 1.00 0.00 H new ATOM 222 N ARG A 19 -2.214 -11.480 5.369 1.00 0.00 N ATOM 223 CA ARG A 19 -1.242 -10.424 5.594 1.00 0.00 C ATOM 224 C ARG A 19 -1.563 -9.211 4.718 1.00 0.00 C ATOM 225 O ARG A 19 -1.520 -8.074 5.186 1.00 0.00 O ATOM 226 CB ARG A 19 0.177 -10.906 5.284 1.00 0.00 C ATOM 227 CG ARG A 19 1.179 -9.753 5.372 1.00 0.00 C ATOM 228 CD ARG A 19 1.523 -9.434 6.828 1.00 0.00 C ATOM 229 NE ARG A 19 2.874 -9.944 7.153 1.00 0.00 N ATOM 230 CZ ARG A 19 3.332 -10.115 8.400 1.00 0.00 C ATOM 231 NH1 ARG A 19 2.551 -9.819 9.448 1.00 0.00 N ATOM 232 NH2 ARG A 19 4.572 -10.583 8.600 1.00 0.00 N ATOM 0 H ARG A 19 -1.915 -12.203 4.714 1.00 0.00 H new ATOM 0 HA ARG A 19 -1.297 -10.142 6.646 1.00 0.00 H new ATOM 0 HB2 ARG A 19 0.459 -11.692 5.985 1.00 0.00 H new ATOM 0 HB3 ARG A 19 0.207 -11.343 4.286 1.00 0.00 H new ATOM 0 HG2 ARG A 19 2.087 -10.014 4.829 1.00 0.00 H new ATOM 0 HG3 ARG A 19 0.763 -8.868 4.891 1.00 0.00 H new ATOM 0 HD2 ARG A 19 1.483 -8.357 6.992 1.00 0.00 H new ATOM 0 HD3 ARG A 19 0.786 -9.885 7.492 1.00 0.00 H new ATOM 0 HE ARG A 19 3.495 -10.180 6.379 1.00 0.00 H new ATOM 0 HH11 ARG A 19 1.607 -9.463 9.296 1.00 0.00 H new ATOM 0 HH12 ARG A 19 2.900 -9.949 10.397 1.00 0.00 H new ATOM 0 HH21 ARG A 19 5.167 -10.809 7.803 1.00 0.00 H new ATOM 0 HH22 ARG A 19 4.921 -10.713 9.550 1.00 0.00 H new ATOM 246 N LEU A 20 -1.879 -9.495 3.463 1.00 0.00 N ATOM 247 CA LEU A 20 -2.208 -8.441 2.518 1.00 0.00 C ATOM 248 C LEU A 20 -3.422 -7.664 3.030 1.00 0.00 C ATOM 249 O LEU A 20 -3.454 -6.436 2.957 1.00 0.00 O ATOM 250 CB LEU A 20 -2.395 -9.020 1.114 1.00 0.00 C ATOM 251 CG LEU A 20 -1.117 -9.235 0.301 1.00 0.00 C ATOM 252 CD1 LEU A 20 -0.221 -10.288 0.955 1.00 0.00 C ATOM 253 CD2 LEU A 20 -1.444 -9.583 -1.153 1.00 0.00 C ATOM 0 H LEU A 20 -1.914 -10.439 3.079 1.00 0.00 H new ATOM 0 HA LEU A 20 -1.385 -7.730 2.438 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -2.911 -9.976 1.203 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -3.051 -8.355 0.553 1.00 0.00 H new ATOM 0 HG LEU A 20 -0.558 -8.299 0.290 1.00 0.00 H new ATOM 0 HD11 LEU A 20 0.680 -10.421 0.357 1.00 0.00 H new ATOM 0 HD12 LEU A 20 0.054 -9.960 1.957 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -0.758 -11.234 1.018 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -0.518 -9.731 -1.709 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -2.036 -10.498 -1.184 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -2.011 -8.769 -1.603 1.00 0.00 H new ATOM 265 N GLN A 21 -4.393 -8.411 3.536 1.00 0.00 N ATOM 266 CA GLN A 21 -5.606 -7.807 4.059 1.00 0.00 C ATOM 267 C GLN A 21 -5.272 -6.857 5.211 1.00 0.00 C ATOM 268 O GLN A 21 -6.042 -5.946 5.513 1.00 0.00 O ATOM 269 CB GLN A 21 -6.604 -8.878 4.503 1.00 0.00 C ATOM 270 CG GLN A 21 -7.679 -9.102 3.438 1.00 0.00 C ATOM 271 CD GLN A 21 -8.899 -9.811 4.030 1.00 0.00 C ATOM 272 OE1 GLN A 21 -9.712 -9.226 4.726 1.00 0.00 O ATOM 273 NE2 GLN A 21 -8.980 -11.101 3.715 1.00 0.00 N ATOM 0 H GLN A 21 -4.364 -9.429 3.595 1.00 0.00 H new ATOM 0 HA GLN A 21 -6.074 -7.229 3.262 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -6.078 -9.813 4.696 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -7.073 -8.577 5.440 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -7.981 -8.144 3.014 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -7.269 -9.697 2.622 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -8.264 -11.528 3.127 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -9.758 -11.663 4.061 1.00 0.00 H new ATOM 282 N GLU A 22 -4.123 -7.102 5.824 1.00 0.00 N ATOM 283 CA GLU A 22 -3.678 -6.280 6.936 1.00 0.00 C ATOM 284 C GLU A 22 -2.817 -5.121 6.428 1.00 0.00 C ATOM 285 O GLU A 22 -2.561 -4.166 7.160 1.00 0.00 O ATOM 286 CB GLU A 22 -2.918 -7.117 7.967 1.00 0.00 C ATOM 287 CG GLU A 22 -3.732 -7.275 9.252 1.00 0.00 C ATOM 288 CD GLU A 22 -2.819 -7.300 10.480 1.00 0.00 C ATOM 289 OE1 GLU A 22 -1.735 -7.913 10.369 1.00 0.00 O ATOM 290 OE2 GLU A 22 -3.226 -6.706 11.502 1.00 0.00 O ATOM 0 H GLU A 22 -3.487 -7.858 5.571 1.00 0.00 H new ATOM 0 HA GLU A 22 -4.556 -5.865 7.430 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -2.695 -8.099 7.550 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -1.963 -6.643 8.193 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -4.443 -6.453 9.340 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -4.313 -8.196 9.208 1.00 0.00 H new ATOM 297 N ILE A 23 -2.393 -5.244 5.179 1.00 0.00 N ATOM 298 CA ILE A 23 -1.567 -4.219 4.565 1.00 0.00 C ATOM 299 C ILE A 23 -2.458 -3.248 3.788 1.00 0.00 C ATOM 300 O ILE A 23 -2.253 -2.037 3.837 1.00 0.00 O ATOM 301 CB ILE A 23 -0.465 -4.857 3.716 1.00 0.00 C ATOM 302 CG1 ILE A 23 0.698 -5.328 4.591 1.00 0.00 C ATOM 303 CG2 ILE A 23 -0.002 -3.903 2.612 1.00 0.00 C ATOM 304 CD1 ILE A 23 1.331 -6.600 4.022 1.00 0.00 C ATOM 0 H ILE A 23 -2.606 -6.038 4.575 1.00 0.00 H new ATOM 0 HA ILE A 23 -1.052 -3.636 5.329 1.00 0.00 H new ATOM 0 HB ILE A 23 -0.878 -5.739 3.227 1.00 0.00 H new ATOM 0 HG12 ILE A 23 1.450 -4.542 4.657 1.00 0.00 H new ATOM 0 HG13 ILE A 23 0.343 -5.516 5.604 1.00 0.00 H new ATOM 0 HG21 ILE A 23 0.781 -4.381 2.023 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -0.845 -3.659 1.965 1.00 0.00 H new ATOM 0 HG23 ILE A 23 0.387 -2.989 3.061 1.00 0.00 H new ATOM 0 HD11 ILE A 23 2.155 -6.914 4.662 1.00 0.00 H new ATOM 0 HD12 ILE A 23 0.583 -7.391 3.980 1.00 0.00 H new ATOM 0 HD13 ILE A 23 1.707 -6.402 3.018 1.00 0.00 H new ATOM 316 N GLN A 24 -3.428 -3.818 3.088 1.00 0.00 N ATOM 317 CA GLN A 24 -4.352 -3.018 2.301 1.00 0.00 C ATOM 318 C GLN A 24 -5.125 -2.056 3.206 1.00 0.00 C ATOM 319 O GLN A 24 -5.282 -0.881 2.878 1.00 0.00 O ATOM 320 CB GLN A 24 -5.307 -3.909 1.504 1.00 0.00 C ATOM 321 CG GLN A 24 -4.715 -4.266 0.140 1.00 0.00 C ATOM 322 CD GLN A 24 -5.812 -4.676 -0.844 1.00 0.00 C ATOM 323 OE1 GLN A 24 -6.559 -5.616 -0.624 1.00 0.00 O ATOM 324 NE2 GLN A 24 -5.867 -3.923 -1.939 1.00 0.00 N ATOM 0 H GLN A 24 -3.594 -4.824 3.049 1.00 0.00 H new ATOM 0 HA GLN A 24 -3.776 -2.430 1.587 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -5.513 -4.821 2.065 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -6.260 -3.397 1.368 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -4.166 -3.412 -0.257 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -3.999 -5.080 0.252 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -5.211 -3.151 -2.061 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -6.565 -4.117 -2.657 1.00 0.00 H new ATOM 333 N ARG A 25 -5.587 -2.591 4.326 1.00 0.00 N ATOM 334 CA ARG A 25 -6.340 -1.795 5.281 1.00 0.00 C ATOM 335 C ARG A 25 -5.477 -0.648 5.812 1.00 0.00 C ATOM 336 O ARG A 25 -5.993 0.417 6.149 1.00 0.00 O ATOM 337 CB ARG A 25 -6.819 -2.650 6.455 1.00 0.00 C ATOM 338 CG ARG A 25 -5.636 -3.152 7.286 1.00 0.00 C ATOM 339 CD ARG A 25 -6.117 -3.841 8.565 1.00 0.00 C ATOM 340 NE ARG A 25 -5.435 -3.258 9.742 1.00 0.00 N ATOM 341 CZ ARG A 25 -5.587 -3.704 10.996 1.00 0.00 C ATOM 342 NH1 ARG A 25 -6.398 -4.741 11.244 1.00 0.00 N ATOM 343 NH2 ARG A 25 -4.927 -3.114 12.002 1.00 0.00 N ATOM 0 H ARG A 25 -5.455 -3.566 4.594 1.00 0.00 H new ATOM 0 HA ARG A 25 -7.210 -1.391 4.763 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -7.489 -2.066 7.086 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -7.392 -3.499 6.082 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -5.042 -3.849 6.695 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -4.986 -2.315 7.542 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -7.196 -3.726 8.666 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -5.914 -4.911 8.510 1.00 0.00 H new ATOM 0 HE ARG A 25 -4.810 -2.467 9.589 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -6.900 -5.191 10.478 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -6.514 -5.081 12.199 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -4.309 -2.325 11.813 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -5.043 -3.454 12.957 1.00 0.00 H new ATOM 357 N GLU A 26 -4.179 -0.905 5.872 1.00 0.00 N ATOM 358 CA GLU A 26 -3.240 0.093 6.356 1.00 0.00 C ATOM 359 C GLU A 26 -3.172 1.273 5.386 1.00 0.00 C ATOM 360 O GLU A 26 -3.389 2.418 5.779 1.00 0.00 O ATOM 361 CB GLU A 26 -1.855 -0.519 6.575 1.00 0.00 C ATOM 362 CG GLU A 26 -1.843 -1.423 7.808 1.00 0.00 C ATOM 363 CD GLU A 26 -1.174 -0.725 8.994 1.00 0.00 C ATOM 364 OE1 GLU A 26 -1.606 0.405 9.305 1.00 0.00 O ATOM 365 OE2 GLU A 26 -0.244 -1.338 9.563 1.00 0.00 O ATOM 0 H GLU A 26 -3.755 -1.790 5.594 1.00 0.00 H new ATOM 0 HA GLU A 26 -3.595 0.461 7.319 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -1.565 -1.094 5.696 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -1.118 0.275 6.695 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -2.864 -1.697 8.072 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -1.313 -2.348 7.580 1.00 0.00 H new ATOM 372 N VAL A 27 -2.869 0.954 4.136 1.00 0.00 N ATOM 373 CA VAL A 27 -2.770 1.974 3.106 1.00 0.00 C ATOM 374 C VAL A 27 -4.125 2.666 2.947 1.00 0.00 C ATOM 375 O VAL A 27 -4.190 3.825 2.540 1.00 0.00 O ATOM 376 CB VAL A 27 -2.258 1.355 1.804 1.00 0.00 C ATOM 377 CG1 VAL A 27 -0.933 0.622 2.029 1.00 0.00 C ATOM 378 CG2 VAL A 27 -3.304 0.421 1.193 1.00 0.00 C ATOM 0 H VAL A 27 -2.689 0.003 3.813 1.00 0.00 H new ATOM 0 HA VAL A 27 -2.047 2.738 3.393 1.00 0.00 H new ATOM 0 HB VAL A 27 -2.077 2.164 1.097 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.591 0.191 1.088 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.187 1.325 2.399 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -1.077 -0.173 2.761 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -2.915 -0.006 0.269 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -3.531 -0.381 1.896 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -4.213 0.983 0.979 1.00 0.00 H new ATOM 388 N LYS A 28 -5.174 1.926 3.275 1.00 0.00 N ATOM 389 CA LYS A 28 -6.524 2.453 3.173 1.00 0.00 C ATOM 390 C LYS A 28 -6.814 3.337 4.388 1.00 0.00 C ATOM 391 O LYS A 28 -7.428 4.395 4.258 1.00 0.00 O ATOM 392 CB LYS A 28 -7.530 1.317 2.985 1.00 0.00 C ATOM 393 CG LYS A 28 -8.834 1.834 2.374 1.00 0.00 C ATOM 394 CD LYS A 28 -9.313 0.918 1.247 1.00 0.00 C ATOM 395 CE LYS A 28 -9.490 1.698 -0.057 1.00 0.00 C ATOM 396 NZ LYS A 28 -10.333 0.937 -1.007 1.00 0.00 N ATOM 0 H LYS A 28 -5.116 0.965 3.612 1.00 0.00 H new ATOM 0 HA LYS A 28 -6.622 3.083 2.289 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -7.101 0.550 2.340 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -7.736 0.846 3.946 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -9.601 1.898 3.146 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -8.684 2.843 1.989 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -8.594 0.112 1.098 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -10.258 0.454 1.528 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -9.948 2.665 0.150 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -8.516 1.896 -0.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -10.443 1.481 -1.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -9.881 0.025 -1.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -11.268 0.770 -0.584 1.00 0.00 H new ATOM 410 N ALA A 29 -6.358 2.871 5.541 1.00 0.00 N ATOM 411 CA ALA A 29 -6.561 3.607 6.778 1.00 0.00 C ATOM 412 C ALA A 29 -5.724 4.887 6.748 1.00 0.00 C ATOM 413 O ALA A 29 -5.911 5.774 7.580 1.00 0.00 O ATOM 414 CB ALA A 29 -6.212 2.710 7.968 1.00 0.00 C ATOM 0 H ALA A 29 -5.849 1.993 5.645 1.00 0.00 H new ATOM 0 HA ALA A 29 -7.606 3.899 6.884 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -6.364 3.261 8.896 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -6.854 1.829 7.960 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -5.169 2.400 7.897 1.00 0.00 H new ATOM 420 N ILE A 30 -4.820 4.943 5.781 1.00 0.00 N ATOM 421 CA ILE A 30 -3.954 6.101 5.632 1.00 0.00 C ATOM 422 C ILE A 30 -4.274 6.805 4.312 1.00 0.00 C ATOM 423 O ILE A 30 -3.750 7.883 4.037 1.00 0.00 O ATOM 424 CB ILE A 30 -2.486 5.693 5.771 1.00 0.00 C ATOM 425 CG1 ILE A 30 -2.068 4.754 4.638 1.00 0.00 C ATOM 426 CG2 ILE A 30 -2.214 5.085 7.149 1.00 0.00 C ATOM 427 CD1 ILE A 30 -1.407 5.532 3.498 1.00 0.00 C ATOM 0 H ILE A 30 -4.668 4.205 5.093 1.00 0.00 H new ATOM 0 HA ILE A 30 -4.138 6.820 6.430 1.00 0.00 H new ATOM 0 HB ILE A 30 -1.873 6.590 5.688 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -1.376 4.003 5.020 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -2.941 4.221 4.261 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -1.163 4.804 7.222 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -2.448 5.817 7.922 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -2.837 4.201 7.286 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -1.119 4.841 2.705 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -2.110 6.266 3.103 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -0.521 6.044 3.873 1.00 0.00 H new ATOM 439 N GLU A 31 -5.134 6.167 3.531 1.00 0.00 N ATOM 440 CA GLU A 31 -5.530 6.719 2.247 1.00 0.00 C ATOM 441 C GLU A 31 -5.984 8.171 2.411 1.00 0.00 C ATOM 442 O GLU A 31 -5.583 9.041 1.639 1.00 0.00 O ATOM 443 CB GLU A 31 -6.628 5.871 1.601 1.00 0.00 C ATOM 444 CG GLU A 31 -7.439 6.695 0.599 1.00 0.00 C ATOM 445 CD GLU A 31 -8.686 5.934 0.145 1.00 0.00 C ATOM 446 OE1 GLU A 31 -8.551 5.143 -0.813 1.00 0.00 O ATOM 447 OE2 GLU A 31 -9.747 6.161 0.767 1.00 0.00 O ATOM 0 H GLU A 31 -5.567 5.273 3.763 1.00 0.00 H new ATOM 0 HA GLU A 31 -4.665 6.702 1.584 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -6.181 5.015 1.096 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -7.289 5.477 2.373 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -7.732 7.641 1.054 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -6.820 6.935 -0.266 1.00 0.00 H new ATOM 454 N PRO A 32 -6.835 8.394 3.447 1.00 0.00 N ATOM 455 CA PRO A 32 -7.348 9.726 3.722 1.00 0.00 C ATOM 456 C PRO A 32 -6.274 10.603 4.370 1.00 0.00 C ATOM 457 O PRO A 32 -6.388 11.828 4.375 1.00 0.00 O ATOM 458 CB PRO A 32 -8.555 9.506 4.618 1.00 0.00 C ATOM 459 CG PRO A 32 -8.401 8.106 5.189 1.00 0.00 C ATOM 460 CD PRO A 32 -7.331 7.388 4.382 1.00 0.00 C ATOM 0 HA PRO A 32 -7.634 10.262 2.817 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -8.592 10.250 5.413 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -9.483 9.597 4.053 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -8.119 8.152 6.241 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -9.346 7.566 5.135 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -6.533 7.017 5.025 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -7.743 6.527 3.856 1.00 0.00 H new ATOM 468 N GLN A 33 -5.256 9.942 4.901 1.00 0.00 N ATOM 469 CA GLN A 33 -4.164 10.647 5.550 1.00 0.00 C ATOM 470 C GLN A 33 -3.257 11.299 4.504 1.00 0.00 C ATOM 471 O GLN A 33 -2.469 12.186 4.828 1.00 0.00 O ATOM 472 CB GLN A 33 -3.366 9.706 6.456 1.00 0.00 C ATOM 473 CG GLN A 33 -4.020 9.587 7.834 1.00 0.00 C ATOM 474 CD GLN A 33 -2.982 9.249 8.906 1.00 0.00 C ATOM 475 OE1 GLN A 33 -2.544 10.093 9.671 1.00 0.00 O ATOM 476 NE2 GLN A 33 -2.614 7.971 8.919 1.00 0.00 N ATOM 0 H GLN A 33 -5.164 8.926 4.895 1.00 0.00 H new ATOM 0 HA GLN A 33 -4.586 11.432 6.177 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -3.300 8.721 5.995 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -2.347 10.077 6.564 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -4.517 10.524 8.087 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -4.788 8.814 7.810 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -3.020 7.317 8.250 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -1.926 7.645 9.598 1.00 0.00 H new ATOM 485 N VAL A 34 -3.401 10.836 3.271 1.00 0.00 N ATOM 486 CA VAL A 34 -2.605 11.363 2.176 1.00 0.00 C ATOM 487 C VAL A 34 -3.503 12.184 1.248 1.00 0.00 C ATOM 488 O VAL A 34 -3.068 13.187 0.685 1.00 0.00 O ATOM 489 CB VAL A 34 -1.884 10.222 1.456 1.00 0.00 C ATOM 490 CG1 VAL A 34 -2.008 8.914 2.240 1.00 0.00 C ATOM 491 CG2 VAL A 34 -2.408 10.057 0.028 1.00 0.00 C ATOM 0 H VAL A 34 -4.057 10.101 3.006 1.00 0.00 H new ATOM 0 HA VAL A 34 -1.831 12.031 2.553 1.00 0.00 H new ATOM 0 HB VAL A 34 -0.826 10.478 1.397 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -1.487 8.119 1.706 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -1.565 9.039 3.228 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -3.061 8.651 2.345 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -1.879 9.239 -0.462 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -3.475 9.834 0.055 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -2.244 10.980 -0.529 1.00 0.00 H new ATOM 501 N VAL A 35 -4.739 11.726 1.116 1.00 0.00 N ATOM 502 CA VAL A 35 -5.702 12.404 0.266 1.00 0.00 C ATOM 503 C VAL A 35 -5.950 13.814 0.807 1.00 0.00 C ATOM 504 O VAL A 35 -5.865 14.791 0.065 1.00 0.00 O ATOM 505 CB VAL A 35 -6.982 11.572 0.157 1.00 0.00 C ATOM 506 CG1 VAL A 35 -8.100 12.373 -0.514 1.00 0.00 C ATOM 507 CG2 VAL A 35 -6.722 10.262 -0.590 1.00 0.00 C ATOM 0 H VAL A 35 -5.096 10.893 1.584 1.00 0.00 H new ATOM 0 HA VAL A 35 -5.311 12.508 -0.746 1.00 0.00 H new ATOM 0 HB VAL A 35 -7.307 11.323 1.167 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -8.998 11.759 -0.579 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -8.312 13.265 0.075 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -7.787 12.666 -1.516 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -7.647 9.690 -0.654 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -6.361 10.482 -1.595 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -5.972 9.680 -0.054 1.00 0.00 H new ATOM 517 N GLY A 36 -6.251 13.874 2.096 1.00 0.00 N ATOM 518 CA GLY A 36 -6.511 15.147 2.745 1.00 0.00 C ATOM 519 C GLY A 36 -5.285 15.626 3.525 1.00 0.00 C ATOM 520 O GLY A 36 -5.419 16.241 4.582 1.00 0.00 O ATOM 0 H GLY A 36 -6.321 13.061 2.708 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -6.784 15.891 1.997 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -7.360 15.048 3.421 1.00 0.00 H new ATOM 524 N PHE A 37 -4.119 15.325 2.974 1.00 0.00 N ATOM 525 CA PHE A 37 -2.870 15.717 3.605 1.00 0.00 C ATOM 526 C PHE A 37 -2.523 17.171 3.278 1.00 0.00 C ATOM 527 O PHE A 37 -3.021 17.727 2.300 1.00 0.00 O ATOM 528 CB PHE A 37 -1.778 14.806 3.040 1.00 0.00 C ATOM 529 CG PHE A 37 -0.355 15.297 3.313 1.00 0.00 C ATOM 530 CD1 PHE A 37 0.092 15.409 4.592 1.00 0.00 C ATOM 531 CD2 PHE A 37 0.463 15.622 2.276 1.00 0.00 C ATOM 532 CE1 PHE A 37 1.413 15.865 4.845 1.00 0.00 C ATOM 533 CE2 PHE A 37 1.783 16.078 2.529 1.00 0.00 C ATOM 534 CZ PHE A 37 2.231 16.190 3.808 1.00 0.00 C ATOM 0 H PHE A 37 -4.012 14.814 2.098 1.00 0.00 H new ATOM 0 HA PHE A 37 -2.956 15.626 4.688 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -1.895 13.809 3.465 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -1.919 14.712 1.963 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -0.557 15.151 5.416 1.00 0.00 H new ATOM 0 HD2 PHE A 37 0.108 15.533 1.260 1.00 0.00 H new ATOM 0 HE1 PHE A 37 1.768 15.954 5.861 1.00 0.00 H new ATOM 0 HE2 PHE A 37 2.432 16.336 1.705 1.00 0.00 H new ATOM 0 HZ PHE A 37 3.236 16.537 4.000 1.00 0.00 H new ATOM 544 N SER A 38 -1.672 17.746 4.115 1.00 0.00 N ATOM 545 CA SER A 38 -1.253 19.125 3.928 1.00 0.00 C ATOM 546 C SER A 38 0.138 19.335 4.527 1.00 0.00 C ATOM 547 O SER A 38 0.283 19.452 5.743 1.00 0.00 O ATOM 548 CB SER A 38 -2.255 20.095 4.557 1.00 0.00 C ATOM 549 OG SER A 38 -2.887 20.918 3.580 1.00 0.00 O ATOM 0 H SER A 38 -1.261 17.282 4.925 1.00 0.00 H new ATOM 0 HA SER A 38 -1.215 19.329 2.858 1.00 0.00 H new ATOM 0 HB2 SER A 38 -3.013 19.531 5.101 1.00 0.00 H new ATOM 0 HB3 SER A 38 -1.742 20.724 5.285 1.00 0.00 H new ATOM 0 HG SER A 38 -3.520 21.522 4.021 1.00 0.00 H new ATOM 555 N GLY A 39 1.127 19.376 3.646 1.00 0.00 N ATOM 556 CA GLY A 39 2.502 19.571 4.074 1.00 0.00 C ATOM 557 C GLY A 39 3.472 19.369 2.908 1.00 0.00 C ATOM 558 O GLY A 39 3.366 18.391 2.169 1.00 0.00 O ATOM 0 H GLY A 39 1.004 19.278 2.638 1.00 0.00 H new ATOM 0 HA2 GLY A 39 2.621 20.575 4.481 1.00 0.00 H new ATOM 0 HA3 GLY A 39 2.740 18.872 4.875 1.00 0.00 H new ATOM 562 N LEU A 40 4.396 20.310 2.779 1.00 0.00 N ATOM 563 CA LEU A 40 5.384 20.248 1.715 1.00 0.00 C ATOM 564 C LEU A 40 6.199 18.960 1.857 1.00 0.00 C ATOM 565 O LEU A 40 6.457 18.504 2.969 1.00 0.00 O ATOM 566 CB LEU A 40 6.238 21.517 1.702 1.00 0.00 C ATOM 567 CG LEU A 40 5.704 22.676 0.858 1.00 0.00 C ATOM 568 CD1 LEU A 40 6.007 22.458 -0.626 1.00 0.00 C ATOM 569 CD2 LEU A 40 4.211 22.897 1.111 1.00 0.00 C ATOM 0 H LEU A 40 4.481 21.120 3.394 1.00 0.00 H new ATOM 0 HA LEU A 40 4.894 20.211 0.742 1.00 0.00 H new ATOM 0 HB2 LEU A 40 6.353 21.864 2.729 1.00 0.00 H new ATOM 0 HB3 LEU A 40 7.233 21.258 1.340 1.00 0.00 H new ATOM 0 HG LEU A 40 6.220 23.586 1.163 1.00 0.00 H new ATOM 0 HD11 LEU A 40 5.617 23.296 -1.204 1.00 0.00 H new ATOM 0 HD12 LEU A 40 7.085 22.388 -0.771 1.00 0.00 H new ATOM 0 HD13 LEU A 40 5.535 21.535 -0.962 1.00 0.00 H new ATOM 0 HD21 LEU A 40 3.857 23.726 0.499 1.00 0.00 H new ATOM 0 HD22 LEU A 40 3.660 21.993 0.851 1.00 0.00 H new ATOM 0 HD23 LEU A 40 4.051 23.129 2.164 1.00 0.00 H new ATOM 581 N SER A 41 6.582 18.411 0.713 1.00 0.00 N ATOM 582 CA SER A 41 7.362 17.186 0.695 1.00 0.00 C ATOM 583 C SER A 41 8.499 17.275 1.715 1.00 0.00 C ATOM 584 O SER A 41 9.471 17.999 1.504 1.00 0.00 O ATOM 585 CB SER A 41 7.921 16.909 -0.702 1.00 0.00 C ATOM 586 OG SER A 41 9.169 17.563 -0.916 1.00 0.00 O ATOM 0 H SER A 41 6.366 18.793 -0.208 1.00 0.00 H new ATOM 0 HA SER A 41 6.706 16.358 0.964 1.00 0.00 H new ATOM 0 HB2 SER A 41 8.047 15.835 -0.836 1.00 0.00 H new ATOM 0 HB3 SER A 41 7.204 17.242 -1.452 1.00 0.00 H new ATOM 0 HG SER A 41 9.283 18.276 -0.253 1.00 0.00 H new ATOM 592 N ASP A 42 8.340 16.527 2.797 1.00 0.00 N ATOM 593 CA ASP A 42 9.342 16.513 3.850 1.00 0.00 C ATOM 594 C ASP A 42 9.213 17.785 4.689 1.00 0.00 C ATOM 595 O ASP A 42 9.951 18.747 4.482 1.00 0.00 O ATOM 596 CB ASP A 42 10.755 16.474 3.265 1.00 0.00 C ATOM 597 CG ASP A 42 11.830 15.925 4.205 1.00 0.00 C ATOM 598 OD1 ASP A 42 11.665 16.118 5.429 1.00 0.00 O ATOM 599 OD2 ASP A 42 12.792 15.325 3.680 1.00 0.00 O ATOM 0 H ASP A 42 7.533 15.927 2.967 1.00 0.00 H new ATOM 0 HA ASP A 42 9.179 15.624 4.458 1.00 0.00 H new ATOM 0 HB2 ASP A 42 10.741 15.867 2.360 1.00 0.00 H new ATOM 0 HB3 ASP A 42 11.036 17.484 2.966 1.00 0.00 H new ATOM 604 N ASP A 43 8.269 17.750 5.618 1.00 0.00 N ATOM 605 CA ASP A 43 8.033 18.889 6.489 1.00 0.00 C ATOM 606 C ASP A 43 7.955 18.408 7.939 1.00 0.00 C ATOM 607 O ASP A 43 7.309 19.041 8.773 1.00 0.00 O ATOM 608 CB ASP A 43 6.710 19.579 6.148 1.00 0.00 C ATOM 609 CG ASP A 43 6.840 21.028 5.674 1.00 0.00 C ATOM 610 OD1 ASP A 43 7.973 21.404 5.302 1.00 0.00 O ATOM 611 OD2 ASP A 43 5.804 21.726 5.694 1.00 0.00 O ATOM 0 H ASP A 43 7.658 16.951 5.787 1.00 0.00 H new ATOM 0 HA ASP A 43 8.853 19.594 6.352 1.00 0.00 H new ATOM 0 HB2 ASP A 43 6.206 19.003 5.372 1.00 0.00 H new ATOM 0 HB3 ASP A 43 6.068 19.557 7.029 1.00 0.00 H new ATOM 616 N LYS A 44 8.623 17.294 8.196 1.00 0.00 N ATOM 617 CA LYS A 44 8.638 16.721 9.532 1.00 0.00 C ATOM 618 C LYS A 44 7.266 16.117 9.839 1.00 0.00 C ATOM 619 O LYS A 44 6.710 16.344 10.912 1.00 0.00 O ATOM 620 CB LYS A 44 9.095 17.762 10.556 1.00 0.00 C ATOM 621 CG LYS A 44 10.122 17.167 11.522 1.00 0.00 C ATOM 622 CD LYS A 44 9.449 16.686 12.809 1.00 0.00 C ATOM 623 CE LYS A 44 9.443 15.157 12.887 1.00 0.00 C ATOM 624 NZ LYS A 44 10.116 14.699 14.122 1.00 0.00 N ATOM 0 H LYS A 44 9.158 16.772 7.502 1.00 0.00 H new ATOM 0 HA LYS A 44 9.364 15.910 9.591 1.00 0.00 H new ATOM 0 HB2 LYS A 44 9.529 18.618 10.040 1.00 0.00 H new ATOM 0 HB3 LYS A 44 8.235 18.129 11.115 1.00 0.00 H new ATOM 0 HG2 LYS A 44 10.637 16.334 11.043 1.00 0.00 H new ATOM 0 HG3 LYS A 44 10.878 17.915 11.760 1.00 0.00 H new ATOM 0 HD2 LYS A 44 9.973 17.096 13.673 1.00 0.00 H new ATOM 0 HD3 LYS A 44 8.426 17.060 12.850 1.00 0.00 H new ATOM 0 HE2 LYS A 44 8.417 14.790 12.867 1.00 0.00 H new ATOM 0 HE3 LYS A 44 9.947 14.740 12.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 10.103 13.660 14.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 11.101 15.033 14.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 9.618 15.081 14.951 1.00 0.00 H new ATOM 638 N ASN A 45 6.760 15.361 8.876 1.00 0.00 N ATOM 639 CA ASN A 45 5.463 14.723 9.030 1.00 0.00 C ATOM 640 C ASN A 45 5.139 13.925 7.765 1.00 0.00 C ATOM 641 O ASN A 45 4.584 12.830 7.843 1.00 0.00 O ATOM 642 CB ASN A 45 4.358 15.762 9.230 1.00 0.00 C ATOM 643 CG ASN A 45 4.137 16.049 10.716 1.00 0.00 C ATOM 644 OD1 ASN A 45 4.590 15.326 11.588 1.00 0.00 O ATOM 645 ND2 ASN A 45 3.417 17.141 10.955 1.00 0.00 N ATOM 0 H ASN A 45 7.224 15.176 7.987 1.00 0.00 H new ATOM 0 HA ASN A 45 5.508 14.073 9.904 1.00 0.00 H new ATOM 0 HB2 ASN A 45 4.624 16.684 8.714 1.00 0.00 H new ATOM 0 HB3 ASN A 45 3.431 15.402 8.784 1.00 0.00 H new ATOM 0 HD21 ASN A 45 3.214 17.418 11.915 1.00 0.00 H new ATOM 0 HD22 ASN A 45 3.068 17.702 10.178 1.00 0.00 H new ATOM 652 N TYR A 46 5.499 14.505 6.630 1.00 0.00 N ATOM 653 CA TYR A 46 5.253 13.862 5.350 1.00 0.00 C ATOM 654 C TYR A 46 6.063 12.570 5.222 1.00 0.00 C ATOM 655 O TYR A 46 5.838 11.781 4.305 1.00 0.00 O ATOM 656 CB TYR A 46 5.723 14.852 4.283 1.00 0.00 C ATOM 657 CG TYR A 46 5.810 14.257 2.876 1.00 0.00 C ATOM 658 CD1 TYR A 46 6.934 13.555 2.492 1.00 0.00 C ATOM 659 CD2 TYR A 46 4.763 14.421 1.992 1.00 0.00 C ATOM 660 CE1 TYR A 46 7.016 12.995 1.168 1.00 0.00 C ATOM 661 CE2 TYR A 46 4.845 13.860 0.668 1.00 0.00 C ATOM 662 CZ TYR A 46 5.967 13.175 0.322 1.00 0.00 C ATOM 663 OH TYR A 46 6.045 12.646 -0.929 1.00 0.00 O ATOM 0 H TYR A 46 5.959 15.413 6.570 1.00 0.00 H new ATOM 0 HA TYR A 46 4.199 13.605 5.246 1.00 0.00 H new ATOM 0 HB2 TYR A 46 5.041 15.702 4.265 1.00 0.00 H new ATOM 0 HB3 TYR A 46 6.703 15.236 4.565 1.00 0.00 H new ATOM 0 HD1 TYR A 46 7.752 13.426 3.185 1.00 0.00 H new ATOM 0 HD2 TYR A 46 3.883 14.970 2.293 1.00 0.00 H new ATOM 0 HE1 TYR A 46 7.891 12.445 0.854 1.00 0.00 H new ATOM 0 HE2 TYR A 46 4.033 13.981 -0.034 1.00 0.00 H new ATOM 0 HH TYR A 46 6.516 11.788 -0.892 1.00 0.00 H new ATOM 673 N LYS A 47 6.988 12.394 6.153 1.00 0.00 N ATOM 674 CA LYS A 47 7.832 11.211 6.156 1.00 0.00 C ATOM 675 C LYS A 47 7.002 9.998 6.579 1.00 0.00 C ATOM 676 O LYS A 47 7.035 8.959 5.921 1.00 0.00 O ATOM 677 CB LYS A 47 9.072 11.440 7.023 1.00 0.00 C ATOM 678 CG LYS A 47 9.673 12.823 6.766 1.00 0.00 C ATOM 679 CD LYS A 47 9.884 13.061 5.270 1.00 0.00 C ATOM 680 CE LYS A 47 10.872 12.048 4.688 1.00 0.00 C ATOM 681 NZ LYS A 47 10.197 11.173 3.703 1.00 0.00 N ATOM 0 H LYS A 47 7.172 13.051 6.911 1.00 0.00 H new ATOM 0 HA LYS A 47 8.206 11.007 5.152 1.00 0.00 H new ATOM 0 HB2 LYS A 47 8.807 11.345 8.076 1.00 0.00 H new ATOM 0 HB3 LYS A 47 9.815 10.671 6.811 1.00 0.00 H new ATOM 0 HG2 LYS A 47 9.013 13.591 7.170 1.00 0.00 H new ATOM 0 HG3 LYS A 47 10.625 12.913 7.290 1.00 0.00 H new ATOM 0 HD2 LYS A 47 8.930 12.985 4.748 1.00 0.00 H new ATOM 0 HD3 LYS A 47 10.257 14.072 5.108 1.00 0.00 H new ATOM 0 HE2 LYS A 47 11.700 12.572 4.211 1.00 0.00 H new ATOM 0 HE3 LYS A 47 11.297 11.444 5.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 10.842 10.981 2.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 9.932 10.277 4.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 9.342 11.646 3.347 1.00 0.00 H new ATOM 695 N ARG A 48 6.276 10.170 7.674 1.00 0.00 N ATOM 696 CA ARG A 48 5.438 9.101 8.192 1.00 0.00 C ATOM 697 C ARG A 48 4.453 8.632 7.120 1.00 0.00 C ATOM 698 O ARG A 48 4.350 7.437 6.847 1.00 0.00 O ATOM 699 CB ARG A 48 4.659 9.562 9.425 1.00 0.00 C ATOM 700 CG ARG A 48 4.105 8.366 10.202 1.00 0.00 C ATOM 701 CD ARG A 48 5.215 7.657 10.981 1.00 0.00 C ATOM 702 NE ARG A 48 5.161 6.200 10.724 1.00 0.00 N ATOM 703 CZ ARG A 48 4.250 5.376 11.260 1.00 0.00 C ATOM 704 NH1 ARG A 48 3.311 5.860 12.084 1.00 0.00 N ATOM 705 NH2 ARG A 48 4.278 4.068 10.971 1.00 0.00 N ATOM 0 H ARG A 48 6.251 11.033 8.217 1.00 0.00 H new ATOM 0 HA ARG A 48 6.090 8.275 8.476 1.00 0.00 H new ATOM 0 HB2 ARG A 48 5.310 10.151 10.072 1.00 0.00 H new ATOM 0 HB3 ARG A 48 3.840 10.213 9.120 1.00 0.00 H new ATOM 0 HG2 ARG A 48 3.330 8.703 10.891 1.00 0.00 H new ATOM 0 HG3 ARG A 48 3.635 7.665 9.512 1.00 0.00 H new ATOM 0 HD2 ARG A 48 6.187 8.051 10.685 1.00 0.00 H new ATOM 0 HD3 ARG A 48 5.103 7.851 12.048 1.00 0.00 H new ATOM 0 HE ARG A 48 5.861 5.798 10.100 1.00 0.00 H new ATOM 0 HH11 ARG A 48 3.289 6.856 12.304 1.00 0.00 H new ATOM 0 HH12 ARG A 48 2.618 5.233 12.492 1.00 0.00 H new ATOM 0 HH21 ARG A 48 4.993 3.700 10.343 1.00 0.00 H new ATOM 0 HH22 ARG A 48 3.585 3.441 11.379 1.00 0.00 H new ATOM 719 N LEU A 49 3.754 9.597 6.541 1.00 0.00 N ATOM 720 CA LEU A 49 2.780 9.298 5.505 1.00 0.00 C ATOM 721 C LEU A 49 3.423 8.389 4.455 1.00 0.00 C ATOM 722 O LEU A 49 2.868 7.348 4.108 1.00 0.00 O ATOM 723 CB LEU A 49 2.198 10.590 4.927 1.00 0.00 C ATOM 724 CG LEU A 49 1.311 11.406 5.869 1.00 0.00 C ATOM 725 CD1 LEU A 49 0.710 12.613 5.147 1.00 0.00 C ATOM 726 CD2 LEU A 49 0.234 10.526 6.508 1.00 0.00 C ATOM 0 H LEU A 49 3.843 10.587 6.770 1.00 0.00 H new ATOM 0 HA LEU A 49 1.933 8.754 5.923 1.00 0.00 H new ATOM 0 HB2 LEU A 49 3.023 11.222 4.599 1.00 0.00 H new ATOM 0 HB3 LEU A 49 1.617 10.338 4.040 1.00 0.00 H new ATOM 0 HG LEU A 49 1.934 11.791 6.677 1.00 0.00 H new ATOM 0 HD11 LEU A 49 0.084 13.176 5.839 1.00 0.00 H new ATOM 0 HD12 LEU A 49 1.512 13.254 4.780 1.00 0.00 H new ATOM 0 HD13 LEU A 49 0.106 12.271 4.307 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -0.383 11.131 7.173 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -0.391 10.092 5.728 1.00 0.00 H new ATOM 0 HD23 LEU A 49 0.708 9.728 7.079 1.00 0.00 H new ATOM 738 N GLU A 50 4.583 8.817 3.978 1.00 0.00 N ATOM 739 CA GLU A 50 5.306 8.055 2.975 1.00 0.00 C ATOM 740 C GLU A 50 5.807 6.737 3.568 1.00 0.00 C ATOM 741 O GLU A 50 5.513 5.664 3.043 1.00 0.00 O ATOM 742 CB GLU A 50 6.464 8.871 2.396 1.00 0.00 C ATOM 743 CG GLU A 50 7.348 8.006 1.496 1.00 0.00 C ATOM 744 CD GLU A 50 7.906 8.822 0.328 1.00 0.00 C ATOM 745 OE1 GLU A 50 7.594 10.031 0.280 1.00 0.00 O ATOM 746 OE2 GLU A 50 8.632 8.217 -0.491 1.00 0.00 O ATOM 0 H GLU A 50 5.040 9.682 4.268 1.00 0.00 H new ATOM 0 HA GLU A 50 4.622 7.826 2.158 1.00 0.00 H new ATOM 0 HB2 GLU A 50 6.071 9.712 1.825 1.00 0.00 H new ATOM 0 HB3 GLU A 50 7.062 9.287 3.207 1.00 0.00 H new ATOM 0 HG2 GLU A 50 8.170 7.590 2.079 1.00 0.00 H new ATOM 0 HG3 GLU A 50 6.770 7.165 1.113 1.00 0.00 H new ATOM 753 N ARG A 51 6.555 6.861 4.655 1.00 0.00 N ATOM 754 CA ARG A 51 7.099 5.692 5.326 1.00 0.00 C ATOM 755 C ARG A 51 6.060 4.570 5.364 1.00 0.00 C ATOM 756 O ARG A 51 6.399 3.399 5.196 1.00 0.00 O ATOM 757 CB ARG A 51 7.530 6.028 6.755 1.00 0.00 C ATOM 758 CG ARG A 51 9.028 6.331 6.819 1.00 0.00 C ATOM 759 CD ARG A 51 9.854 5.054 6.650 1.00 0.00 C ATOM 760 NE ARG A 51 11.049 5.106 7.521 1.00 0.00 N ATOM 761 CZ ARG A 51 11.971 4.136 7.589 1.00 0.00 C ATOM 762 NH1 ARG A 51 11.841 3.034 6.839 1.00 0.00 N ATOM 763 NH2 ARG A 51 13.024 4.269 8.407 1.00 0.00 N ATOM 0 H ARG A 51 6.797 7.752 5.088 1.00 0.00 H new ATOM 0 HA ARG A 51 7.973 5.363 4.763 1.00 0.00 H new ATOM 0 HB2 ARG A 51 6.966 6.888 7.116 1.00 0.00 H new ATOM 0 HB3 ARG A 51 7.296 5.193 7.415 1.00 0.00 H new ATOM 0 HG2 ARG A 51 9.292 7.045 6.039 1.00 0.00 H new ATOM 0 HG3 ARG A 51 9.267 6.799 7.774 1.00 0.00 H new ATOM 0 HD2 ARG A 51 9.248 4.183 6.901 1.00 0.00 H new ATOM 0 HD3 ARG A 51 10.157 4.942 5.609 1.00 0.00 H new ATOM 0 HE ARG A 51 11.179 5.931 8.106 1.00 0.00 H new ATOM 0 HH11 ARG A 51 11.040 2.933 6.216 1.00 0.00 H new ATOM 0 HH12 ARG A 51 12.543 2.296 6.891 1.00 0.00 H new ATOM 0 HH21 ARG A 51 13.124 5.108 8.978 1.00 0.00 H new ATOM 0 HH22 ARG A 51 13.726 3.531 8.459 1.00 0.00 H new ATOM 777 N ILE A 52 4.815 4.966 5.586 1.00 0.00 N ATOM 778 CA ILE A 52 3.725 4.009 5.648 1.00 0.00 C ATOM 779 C ILE A 52 3.680 3.207 4.346 1.00 0.00 C ATOM 780 O ILE A 52 3.986 2.016 4.335 1.00 0.00 O ATOM 781 CB ILE A 52 2.409 4.715 5.980 1.00 0.00 C ATOM 782 CG1 ILE A 52 2.445 5.306 7.392 1.00 0.00 C ATOM 783 CG2 ILE A 52 1.217 3.777 5.782 1.00 0.00 C ATOM 784 CD1 ILE A 52 1.582 6.566 7.481 1.00 0.00 C ATOM 0 H ILE A 52 4.538 5.938 5.725 1.00 0.00 H new ATOM 0 HA ILE A 52 3.891 3.297 6.456 1.00 0.00 H new ATOM 0 HB ILE A 52 2.283 5.546 5.286 1.00 0.00 H new ATOM 0 HG12 ILE A 52 2.089 4.566 8.109 1.00 0.00 H new ATOM 0 HG13 ILE A 52 3.473 5.545 7.664 1.00 0.00 H new ATOM 0 HG21 ILE A 52 0.295 4.304 6.025 1.00 0.00 H new ATOM 0 HG22 ILE A 52 1.183 3.446 4.744 1.00 0.00 H new ATOM 0 HG23 ILE A 52 1.323 2.911 6.436 1.00 0.00 H new ATOM 0 HD11 ILE A 52 1.625 6.966 8.494 1.00 0.00 H new ATOM 0 HD12 ILE A 52 1.955 7.313 6.780 1.00 0.00 H new ATOM 0 HD13 ILE A 52 0.550 6.319 7.232 1.00 0.00 H new ATOM 796 N LEU A 53 3.297 3.893 3.279 1.00 0.00 N ATOM 797 CA LEU A 53 3.209 3.260 1.974 1.00 0.00 C ATOM 798 C LEU A 53 4.417 2.342 1.775 1.00 0.00 C ATOM 799 O LEU A 53 4.265 1.127 1.657 1.00 0.00 O ATOM 800 CB LEU A 53 3.050 4.314 0.877 1.00 0.00 C ATOM 801 CG LEU A 53 1.647 4.901 0.709 1.00 0.00 C ATOM 802 CD1 LEU A 53 0.605 3.794 0.538 1.00 0.00 C ATOM 803 CD2 LEU A 53 1.302 5.837 1.870 1.00 0.00 C ATOM 0 H LEU A 53 3.044 4.881 3.292 1.00 0.00 H new ATOM 0 HA LEU A 53 2.319 2.634 1.913 1.00 0.00 H new ATOM 0 HB2 LEU A 53 3.742 5.131 1.083 1.00 0.00 H new ATOM 0 HB3 LEU A 53 3.353 3.871 -0.072 1.00 0.00 H new ATOM 0 HG LEU A 53 1.634 5.498 -0.203 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -0.383 4.239 0.421 1.00 0.00 H new ATOM 0 HD12 LEU A 53 0.844 3.203 -0.346 1.00 0.00 H new ATOM 0 HD13 LEU A 53 0.611 3.150 1.417 1.00 0.00 H new ATOM 0 HD21 LEU A 53 0.300 6.241 1.726 1.00 0.00 H new ATOM 0 HD22 LEU A 53 1.339 5.283 2.808 1.00 0.00 H new ATOM 0 HD23 LEU A 53 2.021 6.655 1.904 1.00 0.00 H new ATOM 815 N THR A 54 5.589 2.959 1.742 1.00 0.00 N ATOM 816 CA THR A 54 6.822 2.213 1.559 1.00 0.00 C ATOM 817 C THR A 54 6.883 1.034 2.533 1.00 0.00 C ATOM 818 O THR A 54 7.103 -0.104 2.123 1.00 0.00 O ATOM 819 CB THR A 54 7.992 3.187 1.711 1.00 0.00 C ATOM 820 OG1 THR A 54 8.911 2.787 0.699 1.00 0.00 O ATOM 821 CG2 THR A 54 8.761 2.979 3.017 1.00 0.00 C ATOM 0 H THR A 54 5.711 3.967 1.839 1.00 0.00 H new ATOM 0 HA THR A 54 6.873 1.774 0.563 1.00 0.00 H new ATOM 0 HB THR A 54 7.620 4.211 1.668 1.00 0.00 H new ATOM 0 HG1 THR A 54 9.700 3.368 0.725 1.00 0.00 H new ATOM 0 HG21 THR A 54 9.580 3.695 3.075 1.00 0.00 H new ATOM 0 HG22 THR A 54 8.089 3.127 3.862 1.00 0.00 H new ATOM 0 HG23 THR A 54 9.162 1.966 3.046 1.00 0.00 H new ATOM 829 N LYS A 55 6.682 1.348 3.805 1.00 0.00 N ATOM 830 CA LYS A 55 6.711 0.330 4.840 1.00 0.00 C ATOM 831 C LYS A 55 5.739 -0.793 4.473 1.00 0.00 C ATOM 832 O LYS A 55 6.073 -1.971 4.590 1.00 0.00 O ATOM 833 CB LYS A 55 6.440 0.952 6.212 1.00 0.00 C ATOM 834 CG LYS A 55 6.501 -0.105 7.316 1.00 0.00 C ATOM 835 CD LYS A 55 5.101 -0.610 7.670 1.00 0.00 C ATOM 836 CE LYS A 55 5.141 -2.073 8.113 1.00 0.00 C ATOM 837 NZ LYS A 55 5.493 -2.170 9.548 1.00 0.00 N ATOM 0 H LYS A 55 6.498 2.293 4.141 1.00 0.00 H new ATOM 0 HA LYS A 55 7.704 -0.115 4.907 1.00 0.00 H new ATOM 0 HB2 LYS A 55 7.173 1.734 6.412 1.00 0.00 H new ATOM 0 HB3 LYS A 55 5.459 1.427 6.212 1.00 0.00 H new ATOM 0 HG2 LYS A 55 7.121 -0.940 6.991 1.00 0.00 H new ATOM 0 HG3 LYS A 55 6.974 0.317 8.203 1.00 0.00 H new ATOM 0 HD2 LYS A 55 4.680 0.003 8.467 1.00 0.00 H new ATOM 0 HD3 LYS A 55 4.444 -0.506 6.807 1.00 0.00 H new ATOM 0 HE2 LYS A 55 4.171 -2.539 7.938 1.00 0.00 H new ATOM 0 HE3 LYS A 55 5.870 -2.620 7.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 5.516 -3.170 9.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 6.428 -1.744 9.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 4.782 -1.665 10.115 1.00 0.00 H new ATOM 851 N GLN A 56 4.556 -0.389 4.034 1.00 0.00 N ATOM 852 CA GLN A 56 3.534 -1.346 3.648 1.00 0.00 C ATOM 853 C GLN A 56 3.956 -2.092 2.381 1.00 0.00 C ATOM 854 O GLN A 56 3.895 -3.320 2.329 1.00 0.00 O ATOM 855 CB GLN A 56 2.182 -0.657 3.454 1.00 0.00 C ATOM 856 CG GLN A 56 1.653 -0.103 4.779 1.00 0.00 C ATOM 857 CD GLN A 56 1.596 -1.198 5.846 1.00 0.00 C ATOM 858 OE1 GLN A 56 2.356 -1.210 6.801 1.00 0.00 O ATOM 859 NE2 GLN A 56 0.656 -2.114 5.633 1.00 0.00 N ATOM 0 H GLN A 56 4.283 0.589 3.937 1.00 0.00 H new ATOM 0 HA GLN A 56 3.422 -2.072 4.453 1.00 0.00 H new ATOM 0 HB2 GLN A 56 2.283 0.153 2.732 1.00 0.00 H new ATOM 0 HB3 GLN A 56 1.465 -1.366 3.040 1.00 0.00 H new ATOM 0 HG2 GLN A 56 2.295 0.709 5.120 1.00 0.00 H new ATOM 0 HG3 GLN A 56 0.658 0.318 4.631 1.00 0.00 H new ATOM 0 HE21 GLN A 56 0.053 -2.045 4.813 1.00 0.00 H new ATOM 0 HE22 GLN A 56 0.538 -2.886 6.289 1.00 0.00 H new ATOM 868 N LEU A 57 4.375 -1.319 1.390 1.00 0.00 N ATOM 869 CA LEU A 57 4.808 -1.891 0.126 1.00 0.00 C ATOM 870 C LEU A 57 5.843 -2.985 0.394 1.00 0.00 C ATOM 871 O LEU A 57 5.661 -4.131 -0.016 1.00 0.00 O ATOM 872 CB LEU A 57 5.303 -0.793 -0.817 1.00 0.00 C ATOM 873 CG LEU A 57 5.983 -1.270 -2.102 1.00 0.00 C ATOM 874 CD1 LEU A 57 7.384 -1.814 -1.813 1.00 0.00 C ATOM 875 CD2 LEU A 57 5.112 -2.291 -2.837 1.00 0.00 C ATOM 0 H LEU A 57 4.424 -0.301 1.437 1.00 0.00 H new ATOM 0 HA LEU A 57 3.970 -2.364 -0.385 1.00 0.00 H new ATOM 0 HB2 LEU A 57 4.454 -0.166 -1.090 1.00 0.00 H new ATOM 0 HB3 LEU A 57 6.004 -0.161 -0.271 1.00 0.00 H new ATOM 0 HG LEU A 57 6.102 -0.412 -2.764 1.00 0.00 H new ATOM 0 HD11 LEU A 57 7.844 -2.146 -2.743 1.00 0.00 H new ATOM 0 HD12 LEU A 57 7.994 -1.029 -1.366 1.00 0.00 H new ATOM 0 HD13 LEU A 57 7.313 -2.655 -1.123 1.00 0.00 H new ATOM 0 HD21 LEU A 57 5.619 -2.614 -3.747 1.00 0.00 H new ATOM 0 HD22 LEU A 57 4.939 -3.153 -2.193 1.00 0.00 H new ATOM 0 HD23 LEU A 57 4.157 -1.835 -3.096 1.00 0.00 H new ATOM 887 N PHE A 58 6.906 -2.594 1.081 1.00 0.00 N ATOM 888 CA PHE A 58 7.971 -3.527 1.408 1.00 0.00 C ATOM 889 C PHE A 58 7.403 -4.829 1.977 1.00 0.00 C ATOM 890 O PHE A 58 8.006 -5.891 1.829 1.00 0.00 O ATOM 891 CB PHE A 58 8.841 -2.857 2.473 1.00 0.00 C ATOM 892 CG PHE A 58 10.343 -3.071 2.273 1.00 0.00 C ATOM 893 CD1 PHE A 58 10.915 -4.253 2.628 1.00 0.00 C ATOM 894 CD2 PHE A 58 11.107 -2.079 1.742 1.00 0.00 C ATOM 895 CE1 PHE A 58 12.308 -4.452 2.443 1.00 0.00 C ATOM 896 CE2 PHE A 58 12.501 -2.277 1.557 1.00 0.00 C ATOM 897 CZ PHE A 58 13.072 -3.460 1.911 1.00 0.00 C ATOM 0 H PHE A 58 7.053 -1.643 1.420 1.00 0.00 H new ATOM 0 HA PHE A 58 8.541 -3.771 0.511 1.00 0.00 H new ATOM 0 HB2 PHE A 58 8.634 -1.787 2.476 1.00 0.00 H new ATOM 0 HB3 PHE A 58 8.557 -3.240 3.453 1.00 0.00 H new ATOM 0 HD1 PHE A 58 10.309 -5.040 3.051 1.00 0.00 H new ATOM 0 HD2 PHE A 58 10.653 -1.140 1.461 1.00 0.00 H new ATOM 0 HE1 PHE A 58 12.761 -5.391 2.725 1.00 0.00 H new ATOM 0 HE2 PHE A 58 13.107 -1.489 1.136 1.00 0.00 H new ATOM 0 HZ PHE A 58 14.132 -3.612 1.770 1.00 0.00 H new ATOM 907 N GLU A 59 6.248 -4.705 2.615 1.00 0.00 N ATOM 908 CA GLU A 59 5.592 -5.858 3.207 1.00 0.00 C ATOM 909 C GLU A 59 4.868 -6.667 2.129 1.00 0.00 C ATOM 910 O GLU A 59 4.744 -7.886 2.241 1.00 0.00 O ATOM 911 CB GLU A 59 4.626 -5.432 4.313 1.00 0.00 C ATOM 912 CG GLU A 59 5.295 -5.512 5.687 1.00 0.00 C ATOM 913 CD GLU A 59 5.161 -6.915 6.281 1.00 0.00 C ATOM 914 OE1 GLU A 59 4.058 -7.487 6.143 1.00 0.00 O ATOM 915 OE2 GLU A 59 6.164 -7.385 6.860 1.00 0.00 O ATOM 0 H GLU A 59 5.750 -3.823 2.735 1.00 0.00 H new ATOM 0 HA GLU A 59 6.354 -6.492 3.660 1.00 0.00 H new ATOM 0 HB2 GLU A 59 4.284 -4.413 4.130 1.00 0.00 H new ATOM 0 HB3 GLU A 59 3.744 -6.072 4.296 1.00 0.00 H new ATOM 0 HG2 GLU A 59 6.349 -5.250 5.598 1.00 0.00 H new ATOM 0 HG3 GLU A 59 4.841 -4.784 6.359 1.00 0.00 H new ATOM 922 N ILE A 60 4.409 -5.957 1.109 1.00 0.00 N ATOM 923 CA ILE A 60 3.701 -6.594 0.012 1.00 0.00 C ATOM 924 C ILE A 60 4.660 -7.519 -0.741 1.00 0.00 C ATOM 925 O ILE A 60 4.358 -8.692 -0.954 1.00 0.00 O ATOM 926 CB ILE A 60 3.035 -5.543 -0.879 1.00 0.00 C ATOM 927 CG1 ILE A 60 2.131 -4.622 -0.057 1.00 0.00 C ATOM 928 CG2 ILE A 60 2.282 -6.202 -2.036 1.00 0.00 C ATOM 929 CD1 ILE A 60 1.408 -3.618 -0.957 1.00 0.00 C ATOM 0 H ILE A 60 4.514 -4.946 1.019 1.00 0.00 H new ATOM 0 HA ILE A 60 2.891 -7.216 0.393 1.00 0.00 H new ATOM 0 HB ILE A 60 3.816 -4.921 -1.317 1.00 0.00 H new ATOM 0 HG12 ILE A 60 1.400 -5.218 0.490 1.00 0.00 H new ATOM 0 HG13 ILE A 60 2.726 -4.089 0.684 1.00 0.00 H new ATOM 0 HG21 ILE A 60 1.818 -5.433 -2.653 1.00 0.00 H new ATOM 0 HG22 ILE A 60 2.979 -6.781 -2.641 1.00 0.00 H new ATOM 0 HG23 ILE A 60 1.511 -6.862 -1.639 1.00 0.00 H new ATOM 0 HD11 ILE A 60 0.772 -2.976 -0.348 1.00 0.00 H new ATOM 0 HD12 ILE A 60 2.141 -3.008 -1.484 1.00 0.00 H new ATOM 0 HD13 ILE A 60 0.795 -4.154 -1.681 1.00 0.00 H new ATOM 941 N ASP A 61 5.797 -6.955 -1.122 1.00 0.00 N ATOM 942 CA ASP A 61 6.802 -7.714 -1.846 1.00 0.00 C ATOM 943 C ASP A 61 7.359 -8.811 -0.937 1.00 0.00 C ATOM 944 O ASP A 61 7.864 -9.824 -1.418 1.00 0.00 O ATOM 945 CB ASP A 61 7.967 -6.819 -2.274 1.00 0.00 C ATOM 946 CG ASP A 61 8.704 -7.275 -3.535 1.00 0.00 C ATOM 947 OD1 ASP A 61 9.633 -8.096 -3.382 1.00 0.00 O ATOM 948 OD2 ASP A 61 8.321 -6.791 -4.622 1.00 0.00 O ATOM 0 H ASP A 61 6.044 -5.982 -0.943 1.00 0.00 H new ATOM 0 HA ASP A 61 6.330 -8.139 -2.732 1.00 0.00 H new ATOM 0 HB2 ASP A 61 7.589 -5.810 -2.437 1.00 0.00 H new ATOM 0 HB3 ASP A 61 8.682 -6.763 -1.454 1.00 0.00 H new ATOM 953 N SER A 62 7.249 -8.572 0.362 1.00 0.00 N ATOM 954 CA SER A 62 7.735 -9.528 1.342 1.00 0.00 C ATOM 955 C SER A 62 6.859 -10.782 1.330 1.00 0.00 C ATOM 956 O SER A 62 7.337 -11.879 1.615 1.00 0.00 O ATOM 957 CB SER A 62 7.763 -8.913 2.743 1.00 0.00 C ATOM 958 OG SER A 62 9.067 -8.948 3.316 1.00 0.00 O ATOM 0 H SER A 62 6.831 -7.730 0.758 1.00 0.00 H new ATOM 0 HA SER A 62 8.755 -9.804 1.075 1.00 0.00 H new ATOM 0 HB2 SER A 62 7.417 -7.881 2.693 1.00 0.00 H new ATOM 0 HB3 SER A 62 7.069 -9.451 3.389 1.00 0.00 H new ATOM 0 HG SER A 62 9.043 -8.545 4.209 1.00 0.00 H new ATOM 964 N VAL A 63 5.593 -10.578 0.998 1.00 0.00 N ATOM 965 CA VAL A 63 4.646 -11.679 0.945 1.00 0.00 C ATOM 966 C VAL A 63 5.069 -12.657 -0.153 1.00 0.00 C ATOM 967 O VAL A 63 4.929 -12.362 -1.339 1.00 0.00 O ATOM 968 CB VAL A 63 3.227 -11.140 0.752 1.00 0.00 C ATOM 969 CG1 VAL A 63 2.361 -12.140 -0.015 1.00 0.00 C ATOM 970 CG2 VAL A 63 2.590 -10.779 2.096 1.00 0.00 C ATOM 0 H VAL A 63 5.201 -9.666 0.763 1.00 0.00 H new ATOM 0 HA VAL A 63 4.645 -12.228 1.887 1.00 0.00 H new ATOM 0 HB VAL A 63 3.292 -10.229 0.157 1.00 0.00 H new ATOM 0 HG11 VAL A 63 1.358 -11.733 -0.139 1.00 0.00 H new ATOM 0 HG12 VAL A 63 2.801 -12.325 -0.995 1.00 0.00 H new ATOM 0 HG13 VAL A 63 2.307 -13.076 0.541 1.00 0.00 H new ATOM 0 HG21 VAL A 63 1.582 -10.398 1.930 1.00 0.00 H new ATOM 0 HG22 VAL A 63 2.544 -11.667 2.727 1.00 0.00 H new ATOM 0 HG23 VAL A 63 3.190 -10.014 2.589 1.00 0.00 H new ATOM 980 N ASP A 64 5.577 -13.801 0.281 1.00 0.00 N ATOM 981 CA ASP A 64 6.021 -14.824 -0.650 1.00 0.00 C ATOM 982 C ASP A 64 4.828 -15.305 -1.479 1.00 0.00 C ATOM 983 O ASP A 64 3.858 -15.827 -0.933 1.00 0.00 O ATOM 984 CB ASP A 64 6.598 -16.031 0.092 1.00 0.00 C ATOM 985 CG ASP A 64 6.781 -17.287 -0.762 1.00 0.00 C ATOM 986 OD1 ASP A 64 7.651 -17.242 -1.658 1.00 0.00 O ATOM 987 OD2 ASP A 64 6.048 -18.265 -0.498 1.00 0.00 O ATOM 0 H ASP A 64 5.691 -14.042 1.266 1.00 0.00 H new ATOM 0 HA ASP A 64 6.792 -14.389 -1.286 1.00 0.00 H new ATOM 0 HB2 ASP A 64 7.564 -15.752 0.513 1.00 0.00 H new ATOM 0 HB3 ASP A 64 5.943 -16.271 0.929 1.00 0.00 H new ATOM 992 N THR A 65 4.939 -15.110 -2.785 1.00 0.00 N ATOM 993 CA THR A 65 3.882 -15.518 -3.695 1.00 0.00 C ATOM 994 C THR A 65 4.075 -16.975 -4.118 1.00 0.00 C ATOM 995 O THR A 65 3.103 -17.706 -4.300 1.00 0.00 O ATOM 996 CB THR A 65 3.868 -14.540 -4.871 1.00 0.00 C ATOM 997 OG1 THR A 65 5.173 -14.653 -5.433 1.00 0.00 O ATOM 998 CG2 THR A 65 3.783 -13.080 -4.419 1.00 0.00 C ATOM 0 H THR A 65 5.745 -14.675 -3.235 1.00 0.00 H new ATOM 0 HA THR A 65 2.906 -15.480 -3.211 1.00 0.00 H new ATOM 0 HB THR A 65 3.024 -14.768 -5.522 1.00 0.00 H new ATOM 0 HG1 THR A 65 5.250 -14.053 -6.204 1.00 0.00 H new ATOM 0 HG21 THR A 65 3.776 -12.428 -5.293 1.00 0.00 H new ATOM 0 HG22 THR A 65 2.868 -12.929 -3.847 1.00 0.00 H new ATOM 0 HG23 THR A 65 4.644 -12.842 -3.795 1.00 0.00 H new ATOM 1006 N GLU A 66 5.336 -17.354 -4.263 1.00 0.00 N ATOM 1007 CA GLU A 66 5.669 -18.711 -4.661 1.00 0.00 C ATOM 1008 C GLU A 66 4.943 -19.076 -5.958 1.00 0.00 C ATOM 1009 O GLU A 66 4.695 -20.251 -6.224 1.00 0.00 O ATOM 1010 CB GLU A 66 5.338 -19.706 -3.548 1.00 0.00 C ATOM 1011 CG GLU A 66 6.544 -20.590 -3.225 1.00 0.00 C ATOM 1012 CD GLU A 66 6.111 -21.869 -2.506 1.00 0.00 C ATOM 1013 OE1 GLU A 66 5.577 -21.735 -1.383 1.00 0.00 O ATOM 1014 OE2 GLU A 66 6.322 -22.951 -3.095 1.00 0.00 O ATOM 0 H GLU A 66 6.140 -16.745 -4.112 1.00 0.00 H new ATOM 0 HA GLU A 66 6.743 -18.763 -4.841 1.00 0.00 H new ATOM 0 HB2 GLU A 66 5.029 -19.166 -2.653 1.00 0.00 H new ATOM 0 HB3 GLU A 66 4.497 -20.329 -3.851 1.00 0.00 H new ATOM 0 HG2 GLU A 66 7.068 -20.846 -4.146 1.00 0.00 H new ATOM 0 HG3 GLU A 66 7.247 -20.038 -2.601 1.00 0.00 H new ATOM 1021 N GLY A 67 4.623 -18.048 -6.729 1.00 0.00 N ATOM 1022 CA GLY A 67 3.930 -18.246 -7.991 1.00 0.00 C ATOM 1023 C GLY A 67 2.455 -18.580 -7.760 1.00 0.00 C ATOM 1024 O GLY A 67 1.884 -19.409 -8.467 1.00 0.00 O ATOM 0 H GLY A 67 4.831 -17.075 -6.505 1.00 0.00 H new ATOM 0 HA2 GLY A 67 4.012 -17.346 -8.600 1.00 0.00 H new ATOM 0 HA3 GLY A 67 4.406 -19.052 -8.549 1.00 0.00 H new ATOM 1028 N LYS A 68 1.879 -17.916 -6.768 1.00 0.00 N ATOM 1029 CA LYS A 68 0.482 -18.131 -6.436 1.00 0.00 C ATOM 1030 C LYS A 68 -0.351 -16.963 -6.967 1.00 0.00 C ATOM 1031 O LYS A 68 -0.346 -15.878 -6.387 1.00 0.00 O ATOM 1032 CB LYS A 68 0.319 -18.369 -4.933 1.00 0.00 C ATOM 1033 CG LYS A 68 0.822 -19.759 -4.540 1.00 0.00 C ATOM 1034 CD LYS A 68 0.384 -20.119 -3.118 1.00 0.00 C ATOM 1035 CE LYS A 68 1.283 -21.206 -2.527 1.00 0.00 C ATOM 1036 NZ LYS A 68 0.483 -22.395 -2.157 1.00 0.00 N ATOM 0 H LYS A 68 2.355 -17.229 -6.184 1.00 0.00 H new ATOM 0 HA LYS A 68 0.111 -19.034 -6.921 1.00 0.00 H new ATOM 0 HB2 LYS A 68 0.870 -17.609 -4.379 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -0.730 -18.267 -4.657 1.00 0.00 H new ATOM 0 HG2 LYS A 68 0.438 -20.500 -5.241 1.00 0.00 H new ATOM 0 HG3 LYS A 68 1.909 -19.789 -4.608 1.00 0.00 H new ATOM 0 HD2 LYS A 68 0.418 -19.231 -2.487 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -0.650 -20.463 -3.128 1.00 0.00 H new ATOM 0 HE2 LYS A 68 2.049 -21.486 -3.250 1.00 0.00 H new ATOM 0 HE3 LYS A 68 1.800 -20.821 -1.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 1.108 -23.124 -1.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -0.232 -22.127 -1.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 0.009 -22.772 -3.003 1.00 0.00 H new ATOM 1050 N GLY A 69 -1.045 -17.224 -8.065 1.00 0.00 N ATOM 1051 CA GLY A 69 -1.880 -16.207 -8.681 1.00 0.00 C ATOM 1052 C GLY A 69 -2.723 -15.479 -7.632 1.00 0.00 C ATOM 1053 O GLY A 69 -2.746 -14.250 -7.592 1.00 0.00 O ATOM 0 H GLY A 69 -1.046 -18.125 -8.544 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -1.254 -15.489 -9.211 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -2.534 -16.668 -9.422 1.00 0.00 H new ATOM 1057 N ASP A 70 -3.395 -16.269 -6.807 1.00 0.00 N ATOM 1058 CA ASP A 70 -4.237 -15.715 -5.760 1.00 0.00 C ATOM 1059 C ASP A 70 -3.483 -14.591 -5.047 1.00 0.00 C ATOM 1060 O ASP A 70 -4.097 -13.676 -4.501 1.00 0.00 O ATOM 1061 CB ASP A 70 -4.594 -16.779 -4.720 1.00 0.00 C ATOM 1062 CG ASP A 70 -5.492 -17.907 -5.231 1.00 0.00 C ATOM 1063 OD1 ASP A 70 -6.455 -17.581 -5.958 1.00 0.00 O ATOM 1064 OD2 ASP A 70 -5.194 -19.071 -4.884 1.00 0.00 O ATOM 0 H ASP A 70 -3.373 -17.288 -6.842 1.00 0.00 H new ATOM 0 HA ASP A 70 -5.151 -15.343 -6.223 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -3.671 -17.215 -4.337 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -5.090 -16.293 -3.880 1.00 0.00 H new ATOM 1069 N ILE A 71 -2.162 -14.697 -5.075 1.00 0.00 N ATOM 1070 CA ILE A 71 -1.318 -13.700 -4.438 1.00 0.00 C ATOM 1071 C ILE A 71 -0.747 -12.764 -5.505 1.00 0.00 C ATOM 1072 O ILE A 71 -0.907 -11.548 -5.420 1.00 0.00 O ATOM 1073 CB ILE A 71 -0.249 -14.375 -3.576 1.00 0.00 C ATOM 1074 CG1 ILE A 71 -0.886 -15.311 -2.547 1.00 0.00 C ATOM 1075 CG2 ILE A 71 0.662 -13.337 -2.920 1.00 0.00 C ATOM 1076 CD1 ILE A 71 0.140 -16.310 -2.006 1.00 0.00 C ATOM 0 H ILE A 71 -1.656 -15.458 -5.529 1.00 0.00 H new ATOM 0 HA ILE A 71 -1.904 -13.085 -3.755 1.00 0.00 H new ATOM 0 HB ILE A 71 0.377 -14.988 -4.225 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -1.299 -14.727 -1.725 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -1.717 -15.849 -3.004 1.00 0.00 H new ATOM 0 HG21 ILE A 71 1.413 -13.843 -2.313 1.00 0.00 H new ATOM 0 HG22 ILE A 71 1.157 -12.748 -3.692 1.00 0.00 H new ATOM 0 HG23 ILE A 71 0.067 -12.679 -2.287 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -0.338 -16.964 -1.276 1.00 0.00 H new ATOM 0 HD12 ILE A 71 0.533 -16.909 -2.828 1.00 0.00 H new ATOM 0 HD13 ILE A 71 0.957 -15.770 -1.528 1.00 0.00 H new ATOM 1088 N GLN A 72 -0.092 -13.368 -6.486 1.00 0.00 N ATOM 1089 CA GLN A 72 0.504 -12.603 -7.569 1.00 0.00 C ATOM 1090 C GLN A 72 -0.472 -11.534 -8.064 1.00 0.00 C ATOM 1091 O GLN A 72 -0.055 -10.501 -8.584 1.00 0.00 O ATOM 1092 CB GLN A 72 0.939 -13.521 -8.714 1.00 0.00 C ATOM 1093 CG GLN A 72 2.409 -13.294 -9.071 1.00 0.00 C ATOM 1094 CD GLN A 72 2.565 -12.943 -10.552 1.00 0.00 C ATOM 1095 OE1 GLN A 72 2.514 -13.793 -11.426 1.00 0.00 O ATOM 1096 NE2 GLN A 72 2.759 -11.648 -10.784 1.00 0.00 N ATOM 0 H GLN A 72 0.039 -14.377 -6.554 1.00 0.00 H new ATOM 0 HA GLN A 72 1.395 -12.105 -7.188 1.00 0.00 H new ATOM 0 HB2 GLN A 72 0.787 -14.562 -8.428 1.00 0.00 H new ATOM 0 HB3 GLN A 72 0.316 -13.337 -9.589 1.00 0.00 H new ATOM 0 HG2 GLN A 72 2.816 -12.490 -8.458 1.00 0.00 H new ATOM 0 HG3 GLN A 72 2.985 -14.191 -8.843 1.00 0.00 H new ATOM 0 HE21 GLN A 72 2.791 -10.990 -10.006 1.00 0.00 H new ATOM 0 HE22 GLN A 72 2.876 -11.313 -11.740 1.00 0.00 H new ATOM 1105 N GLN A 73 -1.753 -11.820 -7.885 1.00 0.00 N ATOM 1106 CA GLN A 73 -2.792 -10.895 -8.307 1.00 0.00 C ATOM 1107 C GLN A 73 -2.968 -9.785 -7.269 1.00 0.00 C ATOM 1108 O GLN A 73 -2.896 -8.603 -7.601 1.00 0.00 O ATOM 1109 CB GLN A 73 -4.112 -11.629 -8.554 1.00 0.00 C ATOM 1110 CG GLN A 73 -4.344 -11.850 -10.050 1.00 0.00 C ATOM 1111 CD GLN A 73 -4.392 -13.343 -10.383 1.00 0.00 C ATOM 1112 OE1 GLN A 73 -5.103 -14.120 -9.767 1.00 0.00 O ATOM 1113 NE2 GLN A 73 -3.598 -13.699 -11.388 1.00 0.00 N ATOM 0 H GLN A 73 -2.095 -12.679 -7.454 1.00 0.00 H new ATOM 0 HA GLN A 73 -2.485 -10.440 -9.249 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -4.100 -12.589 -8.038 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -4.937 -11.052 -8.136 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -5.279 -11.377 -10.351 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -3.547 -11.372 -10.620 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -3.028 -12.997 -11.861 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -3.558 -14.674 -11.686 1.00 0.00 H new ATOM 1122 N ALA A 74 -3.196 -10.205 -6.033 1.00 0.00 N ATOM 1123 CA ALA A 74 -3.382 -9.260 -4.944 1.00 0.00 C ATOM 1124 C ALA A 74 -2.081 -8.489 -4.715 1.00 0.00 C ATOM 1125 O ALA A 74 -2.067 -7.260 -4.764 1.00 0.00 O ATOM 1126 CB ALA A 74 -3.845 -10.009 -3.693 1.00 0.00 C ATOM 0 H ALA A 74 -3.256 -11.186 -5.761 1.00 0.00 H new ATOM 0 HA ALA A 74 -4.155 -8.533 -5.194 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -3.985 -9.301 -2.876 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -4.788 -10.515 -3.900 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -3.093 -10.745 -3.410 1.00 0.00 H new ATOM 1132 N ARG A 75 -1.019 -9.243 -4.470 1.00 0.00 N ATOM 1133 CA ARG A 75 0.284 -8.645 -4.233 1.00 0.00 C ATOM 1134 C ARG A 75 0.482 -7.427 -5.137 1.00 0.00 C ATOM 1135 O ARG A 75 0.468 -6.291 -4.666 1.00 0.00 O ATOM 1136 CB ARG A 75 1.406 -9.652 -4.492 1.00 0.00 C ATOM 1137 CG ARG A 75 2.305 -9.800 -3.262 1.00 0.00 C ATOM 1138 CD ARG A 75 3.764 -9.499 -3.609 1.00 0.00 C ATOM 1139 NE ARG A 75 4.629 -10.620 -3.177 1.00 0.00 N ATOM 1140 CZ ARG A 75 5.915 -10.755 -3.528 1.00 0.00 C ATOM 1141 NH1 ARG A 75 6.493 -9.841 -4.318 1.00 0.00 N ATOM 1142 NH2 ARG A 75 6.623 -11.804 -3.088 1.00 0.00 N ATOM 0 H ARG A 75 -1.034 -10.262 -4.431 1.00 0.00 H new ATOM 0 HA ARG A 75 0.322 -8.336 -3.189 1.00 0.00 H new ATOM 0 HB2 ARG A 75 0.978 -10.620 -4.752 1.00 0.00 H new ATOM 0 HB3 ARG A 75 2.001 -9.327 -5.345 1.00 0.00 H new ATOM 0 HG2 ARG A 75 1.967 -9.123 -2.477 1.00 0.00 H new ATOM 0 HG3 ARG A 75 2.223 -10.813 -2.867 1.00 0.00 H new ATOM 0 HD2 ARG A 75 3.866 -9.343 -4.683 1.00 0.00 H new ATOM 0 HD3 ARG A 75 4.080 -8.577 -3.121 1.00 0.00 H new ATOM 0 HE ARG A 75 4.220 -11.334 -2.574 1.00 0.00 H new ATOM 0 HH11 ARG A 75 5.954 -9.042 -4.652 1.00 0.00 H new ATOM 0 HH12 ARG A 75 7.472 -9.944 -4.585 1.00 0.00 H new ATOM 0 HH21 ARG A 75 6.183 -12.500 -2.486 1.00 0.00 H new ATOM 0 HH22 ARG A 75 7.602 -11.907 -3.355 1.00 0.00 H new ATOM 1156 N LYS A 76 0.661 -7.706 -6.420 1.00 0.00 N ATOM 1157 CA LYS A 76 0.862 -6.647 -7.394 1.00 0.00 C ATOM 1158 C LYS A 76 -0.226 -5.585 -7.219 1.00 0.00 C ATOM 1159 O LYS A 76 0.068 -4.392 -7.172 1.00 0.00 O ATOM 1160 CB LYS A 76 0.933 -7.226 -8.808 1.00 0.00 C ATOM 1161 CG LYS A 76 -0.464 -7.567 -9.332 1.00 0.00 C ATOM 1162 CD LYS A 76 -0.390 -8.184 -10.730 1.00 0.00 C ATOM 1163 CE LYS A 76 -1.749 -8.123 -11.429 1.00 0.00 C ATOM 1164 NZ LYS A 76 -1.609 -7.551 -12.787 1.00 0.00 N ATOM 0 H LYS A 76 0.671 -8.650 -6.807 1.00 0.00 H new ATOM 0 HA LYS A 76 1.820 -6.154 -7.227 1.00 0.00 H new ATOM 0 HB2 LYS A 76 1.410 -6.508 -9.475 1.00 0.00 H new ATOM 0 HB3 LYS A 76 1.554 -8.122 -8.807 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -0.953 -8.262 -8.649 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -1.076 -6.665 -9.361 1.00 0.00 H new ATOM 0 HD2 LYS A 76 0.354 -7.655 -11.326 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -0.061 -9.221 -10.657 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -2.177 -9.123 -11.492 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -2.439 -7.517 -10.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -2.541 -7.517 -13.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -1.221 -6.589 -12.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -0.967 -8.145 -13.349 1.00 0.00 H new ATOM 1178 N ARG A 77 -1.461 -6.058 -7.127 1.00 0.00 N ATOM 1179 CA ARG A 77 -2.594 -5.165 -6.957 1.00 0.00 C ATOM 1180 C ARG A 77 -2.343 -4.204 -5.793 1.00 0.00 C ATOM 1181 O ARG A 77 -2.447 -2.989 -5.952 1.00 0.00 O ATOM 1182 CB ARG A 77 -3.880 -5.950 -6.694 1.00 0.00 C ATOM 1183 CG ARG A 77 -4.677 -6.146 -7.985 1.00 0.00 C ATOM 1184 CD ARG A 77 -5.224 -4.813 -8.499 1.00 0.00 C ATOM 1185 NE ARG A 77 -4.596 -4.474 -9.796 1.00 0.00 N ATOM 1186 CZ ARG A 77 -4.826 -5.136 -10.938 1.00 0.00 C ATOM 1187 NH1 ARG A 77 -5.671 -6.177 -10.951 1.00 0.00 N ATOM 1188 NH2 ARG A 77 -4.211 -4.759 -12.067 1.00 0.00 N ATOM 0 H ARG A 77 -1.701 -7.049 -7.167 1.00 0.00 H new ATOM 0 HA ARG A 77 -2.711 -4.599 -7.881 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -3.636 -6.921 -6.262 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -4.490 -5.420 -5.963 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -4.040 -6.599 -8.745 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -5.501 -6.837 -7.807 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -6.306 -4.875 -8.615 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -5.026 -4.025 -7.773 1.00 0.00 H new ATOM 0 HE ARG A 77 -3.948 -3.687 -9.822 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -6.139 -6.465 -10.092 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -5.846 -6.681 -11.820 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -3.567 -3.968 -12.057 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -4.386 -5.263 -12.936 1.00 0.00 H new ATOM 1202 N ALA A 78 -2.018 -4.786 -4.647 1.00 0.00 N ATOM 1203 CA ALA A 78 -1.752 -3.997 -3.456 1.00 0.00 C ATOM 1204 C ALA A 78 -0.564 -3.069 -3.720 1.00 0.00 C ATOM 1205 O ALA A 78 -0.629 -1.876 -3.430 1.00 0.00 O ATOM 1206 CB ALA A 78 -1.511 -4.931 -2.269 1.00 0.00 C ATOM 0 H ALA A 78 -1.933 -5.794 -4.518 1.00 0.00 H new ATOM 0 HA ALA A 78 -2.610 -3.372 -3.209 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -1.311 -4.340 -1.375 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -2.395 -5.548 -2.106 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -0.655 -5.572 -2.478 1.00 0.00 H new ATOM 1212 N ALA A 79 0.492 -3.654 -4.265 1.00 0.00 N ATOM 1213 CA ALA A 79 1.693 -2.894 -4.570 1.00 0.00 C ATOM 1214 C ALA A 79 1.305 -1.608 -5.303 1.00 0.00 C ATOM 1215 O ALA A 79 1.925 -0.564 -5.102 1.00 0.00 O ATOM 1216 CB ALA A 79 2.653 -3.762 -5.386 1.00 0.00 C ATOM 0 H ALA A 79 0.541 -4.645 -4.503 1.00 0.00 H new ATOM 0 HA ALA A 79 2.210 -2.609 -3.654 1.00 0.00 H new ATOM 0 HB1 ALA A 79 3.554 -3.192 -5.615 1.00 0.00 H new ATOM 0 HB2 ALA A 79 2.921 -4.648 -4.811 1.00 0.00 H new ATOM 0 HB3 ALA A 79 2.170 -4.065 -6.315 1.00 0.00 H new ATOM 1222 N GLN A 80 0.282 -1.725 -6.136 1.00 0.00 N ATOM 1223 CA GLN A 80 -0.196 -0.585 -6.899 1.00 0.00 C ATOM 1224 C GLN A 80 -0.898 0.415 -5.978 1.00 0.00 C ATOM 1225 O GLN A 80 -0.565 1.599 -5.971 1.00 0.00 O ATOM 1226 CB GLN A 80 -1.123 -1.032 -8.031 1.00 0.00 C ATOM 1227 CG GLN A 80 -0.340 -1.754 -9.129 1.00 0.00 C ATOM 1228 CD GLN A 80 -1.255 -2.136 -10.294 1.00 0.00 C ATOM 1229 OE1 GLN A 80 -2.116 -2.993 -10.186 1.00 0.00 O ATOM 1230 NE2 GLN A 80 -1.021 -1.455 -11.412 1.00 0.00 N ATOM 0 H GLN A 80 -0.229 -2.592 -6.299 1.00 0.00 H new ATOM 0 HA GLN A 80 0.664 -0.090 -7.351 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -1.894 -1.693 -7.635 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -1.632 -0.165 -8.453 1.00 0.00 H new ATOM 0 HG2 GLN A 80 0.464 -1.112 -9.489 1.00 0.00 H new ATOM 0 HG3 GLN A 80 0.126 -2.650 -8.719 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -0.284 -0.750 -11.435 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -1.578 -1.638 -12.246 1.00 0.00 H new ATOM 1239 N GLU A 81 -1.857 -0.099 -5.221 1.00 0.00 N ATOM 1240 CA GLU A 81 -2.608 0.733 -4.298 1.00 0.00 C ATOM 1241 C GLU A 81 -1.665 1.664 -3.534 1.00 0.00 C ATOM 1242 O GLU A 81 -1.753 2.884 -3.661 1.00 0.00 O ATOM 1243 CB GLU A 81 -3.433 -0.123 -3.334 1.00 0.00 C ATOM 1244 CG GLU A 81 -4.930 0.139 -3.511 1.00 0.00 C ATOM 1245 CD GLU A 81 -5.408 -0.324 -4.889 1.00 0.00 C ATOM 1246 OE1 GLU A 81 -5.017 0.336 -5.877 1.00 0.00 O ATOM 1247 OE2 GLU A 81 -6.153 -1.327 -4.924 1.00 0.00 O ATOM 0 H GLU A 81 -2.131 -1.082 -5.229 1.00 0.00 H new ATOM 0 HA GLU A 81 -3.302 1.344 -4.874 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -3.222 -1.178 -3.508 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -3.141 0.096 -2.307 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -5.489 -0.383 -2.734 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -5.134 1.203 -3.390 1.00 0.00 H new ATOM 1254 N THR A 82 -0.783 1.053 -2.756 1.00 0.00 N ATOM 1255 CA THR A 82 0.176 1.811 -1.972 1.00 0.00 C ATOM 1256 C THR A 82 0.847 2.880 -2.837 1.00 0.00 C ATOM 1257 O THR A 82 0.727 4.072 -2.562 1.00 0.00 O ATOM 1258 CB THR A 82 1.165 0.824 -1.350 1.00 0.00 C ATOM 1259 OG1 THR A 82 0.738 0.711 0.005 1.00 0.00 O ATOM 1260 CG2 THR A 82 2.580 1.398 -1.248 1.00 0.00 C ATOM 0 H THR A 82 -0.713 0.041 -2.652 1.00 0.00 H new ATOM 0 HA THR A 82 -0.315 2.353 -1.164 1.00 0.00 H new ATOM 0 HB THR A 82 1.186 -0.090 -1.943 1.00 0.00 H new ATOM 0 HG1 THR A 82 1.218 -0.025 0.439 1.00 0.00 H new ATOM 0 HG21 THR A 82 3.242 0.657 -0.800 1.00 0.00 H new ATOM 0 HG22 THR A 82 2.942 1.653 -2.244 1.00 0.00 H new ATOM 0 HG23 THR A 82 2.565 2.294 -0.627 1.00 0.00 H new ATOM 1268 N GLU A 83 1.539 2.413 -3.866 1.00 0.00 N ATOM 1269 CA GLU A 83 2.229 3.313 -4.774 1.00 0.00 C ATOM 1270 C GLU A 83 1.245 4.319 -5.375 1.00 0.00 C ATOM 1271 O GLU A 83 1.651 5.361 -5.887 1.00 0.00 O ATOM 1272 CB GLU A 83 2.955 2.534 -5.873 1.00 0.00 C ATOM 1273 CG GLU A 83 3.974 1.562 -5.274 1.00 0.00 C ATOM 1274 CD GLU A 83 5.283 2.279 -4.936 1.00 0.00 C ATOM 1275 OE1 GLU A 83 5.991 2.649 -5.896 1.00 0.00 O ATOM 1276 OE2 GLU A 83 5.545 2.440 -3.724 1.00 0.00 O ATOM 0 H GLU A 83 1.637 1.423 -4.091 1.00 0.00 H new ATOM 0 HA GLU A 83 2.980 3.863 -4.207 1.00 0.00 H new ATOM 0 HB2 GLU A 83 2.230 1.983 -6.473 1.00 0.00 H new ATOM 0 HB3 GLU A 83 3.461 3.229 -6.543 1.00 0.00 H new ATOM 0 HG2 GLU A 83 3.562 1.107 -4.374 1.00 0.00 H new ATOM 0 HG3 GLU A 83 4.169 0.754 -5.979 1.00 0.00 H new ATOM 1283 N ARG A 84 -0.031 3.972 -5.292 1.00 0.00 N ATOM 1284 CA ARG A 84 -1.077 4.831 -5.820 1.00 0.00 C ATOM 1285 C ARG A 84 -1.240 6.072 -4.940 1.00 0.00 C ATOM 1286 O ARG A 84 -1.413 7.179 -5.447 1.00 0.00 O ATOM 1287 CB ARG A 84 -2.413 4.090 -5.897 1.00 0.00 C ATOM 1288 CG ARG A 84 -3.156 4.432 -7.190 1.00 0.00 C ATOM 1289 CD ARG A 84 -4.596 3.916 -7.147 1.00 0.00 C ATOM 1290 NE ARG A 84 -5.500 4.883 -7.811 1.00 0.00 N ATOM 1291 CZ ARG A 84 -5.552 5.074 -9.136 1.00 0.00 C ATOM 1292 NH1 ARG A 84 -4.754 4.368 -9.947 1.00 0.00 N ATOM 1293 NH2 ARG A 84 -6.404 5.973 -9.650 1.00 0.00 N ATOM 0 H ARG A 84 -0.364 3.107 -4.867 1.00 0.00 H new ATOM 0 HA ARG A 84 -0.783 5.131 -6.826 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -2.240 3.015 -5.846 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -3.030 4.355 -5.038 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -3.157 5.512 -7.338 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -2.634 3.994 -8.041 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -4.659 2.947 -7.643 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -4.907 3.766 -6.113 1.00 0.00 H new ATOM 0 HE ARG A 84 -6.122 5.438 -7.223 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -4.106 3.684 -9.556 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -4.794 4.514 -10.956 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -7.012 6.511 -9.032 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -6.444 6.119 -10.659 1.00 0.00 H new ATOM 1307 N LEU A 85 -1.179 5.845 -3.636 1.00 0.00 N ATOM 1308 CA LEU A 85 -1.317 6.931 -2.681 1.00 0.00 C ATOM 1309 C LEU A 85 -0.014 7.731 -2.631 1.00 0.00 C ATOM 1310 O LEU A 85 -0.031 8.958 -2.710 1.00 0.00 O ATOM 1311 CB LEU A 85 -1.761 6.393 -1.319 1.00 0.00 C ATOM 1312 CG LEU A 85 -3.269 6.223 -1.124 1.00 0.00 C ATOM 1313 CD1 LEU A 85 -3.571 5.090 -0.141 1.00 0.00 C ATOM 1314 CD2 LEU A 85 -3.919 7.541 -0.697 1.00 0.00 C ATOM 0 H LEU A 85 -1.036 4.925 -3.219 1.00 0.00 H new ATOM 0 HA LEU A 85 -2.101 7.619 -2.998 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -1.283 5.427 -1.159 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -1.388 7.065 -0.546 1.00 0.00 H new ATOM 0 HG LEU A 85 -3.708 5.943 -2.082 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -4.650 4.991 -0.021 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -3.161 4.156 -0.525 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -3.117 5.315 0.824 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -4.991 7.392 -0.565 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -3.481 7.875 0.243 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -3.749 8.296 -1.465 1.00 0.00 H new ATOM 1326 N LEU A 86 1.085 7.002 -2.500 1.00 0.00 N ATOM 1327 CA LEU A 86 2.395 7.628 -2.438 1.00 0.00 C ATOM 1328 C LEU A 86 2.434 8.816 -3.402 1.00 0.00 C ATOM 1329 O LEU A 86 2.960 9.875 -3.066 1.00 0.00 O ATOM 1330 CB LEU A 86 3.495 6.595 -2.692 1.00 0.00 C ATOM 1331 CG LEU A 86 4.470 6.356 -1.537 1.00 0.00 C ATOM 1332 CD1 LEU A 86 5.612 5.433 -1.965 1.00 0.00 C ATOM 1333 CD2 LEU A 86 4.985 7.681 -0.971 1.00 0.00 C ATOM 0 H LEU A 86 1.095 5.984 -2.435 1.00 0.00 H new ATOM 0 HA LEU A 86 2.582 8.021 -1.439 1.00 0.00 H new ATOM 0 HB2 LEU A 86 3.023 5.646 -2.945 1.00 0.00 H new ATOM 0 HB3 LEU A 86 4.067 6.910 -3.565 1.00 0.00 H new ATOM 0 HG LEU A 86 3.932 5.851 -0.735 1.00 0.00 H new ATOM 0 HD11 LEU A 86 6.290 5.280 -1.125 1.00 0.00 H new ATOM 0 HD12 LEU A 86 5.205 4.473 -2.282 1.00 0.00 H new ATOM 0 HD13 LEU A 86 6.156 5.887 -2.793 1.00 0.00 H new ATOM 0 HD21 LEU A 86 5.676 7.483 -0.152 1.00 0.00 H new ATOM 0 HD22 LEU A 86 5.501 8.235 -1.755 1.00 0.00 H new ATOM 0 HD23 LEU A 86 4.145 8.270 -0.603 1.00 0.00 H new ATOM 1345 N LYS A 87 1.869 8.599 -4.581 1.00 0.00 N ATOM 1346 CA LYS A 87 1.832 9.639 -5.595 1.00 0.00 C ATOM 1347 C LYS A 87 1.000 10.816 -5.083 1.00 0.00 C ATOM 1348 O LYS A 87 1.496 11.938 -4.990 1.00 0.00 O ATOM 1349 CB LYS A 87 1.338 9.070 -6.927 1.00 0.00 C ATOM 1350 CG LYS A 87 2.421 8.220 -7.595 1.00 0.00 C ATOM 1351 CD LYS A 87 3.157 9.017 -8.674 1.00 0.00 C ATOM 1352 CE LYS A 87 2.424 8.931 -10.014 1.00 0.00 C ATOM 1353 NZ LYS A 87 1.874 10.253 -10.389 1.00 0.00 N ATOM 0 H LYS A 87 1.433 7.719 -4.856 1.00 0.00 H new ATOM 0 HA LYS A 87 2.835 10.018 -5.788 1.00 0.00 H new ATOM 0 HB2 LYS A 87 0.447 8.465 -6.760 1.00 0.00 H new ATOM 0 HB3 LYS A 87 1.050 9.885 -7.590 1.00 0.00 H new ATOM 0 HG2 LYS A 87 3.132 7.875 -6.844 1.00 0.00 H new ATOM 0 HG3 LYS A 87 1.970 7.332 -8.038 1.00 0.00 H new ATOM 0 HD2 LYS A 87 3.241 10.060 -8.367 1.00 0.00 H new ATOM 0 HD3 LYS A 87 4.172 8.635 -8.785 1.00 0.00 H new ATOM 0 HE2 LYS A 87 3.108 8.582 -10.788 1.00 0.00 H new ATOM 0 HE3 LYS A 87 1.618 8.200 -9.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 1.380 10.177 -11.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 1.206 10.571 -9.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 2.650 10.941 -10.472 1.00 0.00 H new ATOM 1367 N GLU A 88 -0.252 10.520 -4.764 1.00 0.00 N ATOM 1368 CA GLU A 88 -1.158 11.540 -4.264 1.00 0.00 C ATOM 1369 C GLU A 88 -0.484 12.351 -3.155 1.00 0.00 C ATOM 1370 O GLU A 88 -0.514 13.580 -3.174 1.00 0.00 O ATOM 1371 CB GLU A 88 -2.465 10.918 -3.770 1.00 0.00 C ATOM 1372 CG GLU A 88 -3.465 10.760 -4.918 1.00 0.00 C ATOM 1373 CD GLU A 88 -3.739 12.104 -5.596 1.00 0.00 C ATOM 1374 OE1 GLU A 88 -4.295 12.985 -4.905 1.00 0.00 O ATOM 1375 OE2 GLU A 88 -3.386 12.220 -6.789 1.00 0.00 O ATOM 0 H GLU A 88 -0.660 9.588 -4.842 1.00 0.00 H new ATOM 0 HA GLU A 88 -1.402 12.215 -5.084 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -2.263 9.945 -3.323 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -2.898 11.544 -2.989 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -3.075 10.052 -5.650 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -4.398 10.344 -4.538 1.00 0.00 H new ATOM 1382 N LEU A 89 0.108 11.629 -2.215 1.00 0.00 N ATOM 1383 CA LEU A 89 0.789 12.266 -1.100 1.00 0.00 C ATOM 1384 C LEU A 89 1.664 13.405 -1.626 1.00 0.00 C ATOM 1385 O LEU A 89 1.512 14.553 -1.209 1.00 0.00 O ATOM 1386 CB LEU A 89 1.557 11.229 -0.278 1.00 0.00 C ATOM 1387 CG LEU A 89 2.203 11.740 1.012 1.00 0.00 C ATOM 1388 CD1 LEU A 89 1.164 12.399 1.921 1.00 0.00 C ATOM 1389 CD2 LEU A 89 2.962 10.620 1.726 1.00 0.00 C ATOM 0 H LEU A 89 0.130 10.609 -2.202 1.00 0.00 H new ATOM 0 HA LEU A 89 0.066 12.709 -0.415 1.00 0.00 H new ATOM 0 HB2 LEU A 89 0.874 10.419 -0.023 1.00 0.00 H new ATOM 0 HB3 LEU A 89 2.338 10.801 -0.907 1.00 0.00 H new ATOM 0 HG LEU A 89 2.933 12.506 0.749 1.00 0.00 H new ATOM 0 HD11 LEU A 89 1.649 12.753 2.831 1.00 0.00 H new ATOM 0 HD12 LEU A 89 0.708 13.241 1.401 1.00 0.00 H new ATOM 0 HD13 LEU A 89 0.394 11.672 2.180 1.00 0.00 H new ATOM 0 HD21 LEU A 89 3.411 11.010 2.639 1.00 0.00 H new ATOM 0 HD22 LEU A 89 2.271 9.815 1.976 1.00 0.00 H new ATOM 0 HD23 LEU A 89 3.745 10.236 1.072 1.00 0.00 H new ATOM 1401 N GLU A 90 2.561 13.049 -2.533 1.00 0.00 N ATOM 1402 CA GLU A 90 3.461 14.027 -3.120 1.00 0.00 C ATOM 1403 C GLU A 90 2.681 15.264 -3.570 1.00 0.00 C ATOM 1404 O GLU A 90 2.938 16.370 -3.098 1.00 0.00 O ATOM 1405 CB GLU A 90 4.246 13.421 -4.285 1.00 0.00 C ATOM 1406 CG GLU A 90 5.671 13.064 -3.860 1.00 0.00 C ATOM 1407 CD GLU A 90 6.646 13.210 -5.030 1.00 0.00 C ATOM 1408 OE1 GLU A 90 6.568 12.360 -5.943 1.00 0.00 O ATOM 1409 OE2 GLU A 90 7.447 14.169 -4.985 1.00 0.00 O ATOM 0 H GLU A 90 2.684 12.096 -2.876 1.00 0.00 H new ATOM 0 HA GLU A 90 4.180 14.331 -2.360 1.00 0.00 H new ATOM 0 HB2 GLU A 90 3.736 12.528 -4.646 1.00 0.00 H new ATOM 0 HB3 GLU A 90 4.276 14.128 -5.114 1.00 0.00 H new ATOM 0 HG2 GLU A 90 5.982 13.711 -3.040 1.00 0.00 H new ATOM 0 HG3 GLU A 90 5.697 12.040 -3.486 1.00 0.00 H new ATOM 1416 N GLN A 91 1.742 15.035 -4.477 1.00 0.00 N ATOM 1417 CA GLN A 91 0.923 16.117 -4.995 1.00 0.00 C ATOM 1418 C GLN A 91 0.202 16.832 -3.851 1.00 0.00 C ATOM 1419 O GLN A 91 0.432 18.017 -3.613 1.00 0.00 O ATOM 1420 CB GLN A 91 -0.076 15.599 -6.033 1.00 0.00 C ATOM 1421 CG GLN A 91 0.234 16.165 -7.421 1.00 0.00 C ATOM 1422 CD GLN A 91 -0.235 15.208 -8.520 1.00 0.00 C ATOM 1423 OE1 GLN A 91 -0.102 13.999 -8.424 1.00 0.00 O ATOM 1424 NE2 GLN A 91 -0.789 15.816 -9.565 1.00 0.00 N ATOM 0 H GLN A 91 1.531 14.116 -4.866 1.00 0.00 H new ATOM 0 HA GLN A 91 1.576 16.835 -5.492 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -0.042 14.510 -6.064 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -1.088 15.878 -5.740 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -0.256 17.131 -7.542 1.00 0.00 H new ATOM 0 HG3 GLN A 91 1.306 16.337 -7.517 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -0.869 16.833 -9.580 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -1.134 15.266 -10.351 1.00 0.00 H new ATOM 1433 N ASN A 92 -0.655 16.083 -3.173 1.00 0.00 N ATOM 1434 CA ASN A 92 -1.410 16.630 -2.059 1.00 0.00 C ATOM 1435 C ASN A 92 -0.496 17.526 -1.220 1.00 0.00 C ATOM 1436 O ASN A 92 -0.946 18.522 -0.656 1.00 0.00 O ATOM 1437 CB ASN A 92 -1.942 15.518 -1.154 1.00 0.00 C ATOM 1438 CG ASN A 92 -3.468 15.571 -1.058 1.00 0.00 C ATOM 1439 OD1 ASN A 92 -4.046 16.436 -0.421 1.00 0.00 O ATOM 1440 ND2 ASN A 92 -4.086 14.601 -1.726 1.00 0.00 N ATOM 0 H ASN A 92 -0.843 15.101 -3.374 1.00 0.00 H new ATOM 0 HA ASN A 92 -2.249 17.195 -2.466 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -1.632 14.548 -1.543 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -1.508 15.615 -0.159 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -5.105 14.550 -1.725 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -3.541 13.908 -2.239 1.00 0.00 H new ATOM 1447 N ALA A 93 0.770 17.139 -1.165 1.00 0.00 N ATOM 1448 CA ALA A 93 1.751 17.895 -0.405 1.00 0.00 C ATOM 1449 C ALA A 93 1.644 19.376 -0.772 1.00 0.00 C ATOM 1450 O ALA A 93 1.148 20.181 0.016 1.00 0.00 O ATOM 1451 CB ALA A 93 3.148 17.329 -0.668 1.00 0.00 C ATOM 0 H ALA A 93 1.139 16.312 -1.634 1.00 0.00 H new ATOM 0 HA ALA A 93 1.559 17.806 0.664 1.00 0.00 H new ATOM 0 HB1 ALA A 93 3.884 17.896 -0.098 1.00 0.00 H new ATOM 0 HB2 ALA A 93 3.180 16.283 -0.363 1.00 0.00 H new ATOM 0 HB3 ALA A 93 3.377 17.404 -1.731 1.00 0.00 H new ATOM 1457 N SER A 94 2.116 19.692 -1.969 1.00 0.00 N ATOM 1458 CA SER A 94 2.080 21.062 -2.451 1.00 0.00 C ATOM 1459 C SER A 94 2.728 21.149 -3.834 1.00 0.00 C ATOM 1460 O SER A 94 2.257 21.886 -4.699 1.00 0.00 O ATOM 1461 CB SER A 94 2.783 22.008 -1.475 1.00 0.00 C ATOM 1462 OG SER A 94 2.168 23.293 -1.439 1.00 0.00 O ATOM 0 H SER A 94 2.526 19.022 -2.620 1.00 0.00 H new ATOM 0 HA SER A 94 1.037 21.370 -2.526 1.00 0.00 H new ATOM 0 HB2 SER A 94 2.771 21.572 -0.476 1.00 0.00 H new ATOM 0 HB3 SER A 94 3.829 22.115 -1.764 1.00 0.00 H new ATOM 0 HG SER A 94 2.852 23.986 -1.546 1.00 0.00 H new ATOM 1468 N GLY A 95 3.798 20.385 -4.000 1.00 0.00 N ATOM 1469 CA GLY A 95 4.515 20.366 -5.263 1.00 0.00 C ATOM 1470 C GLY A 95 5.919 19.784 -5.087 1.00 0.00 C ATOM 1471 O GLY A 95 6.493 19.853 -4.001 1.00 0.00 O ATOM 0 H GLY A 95 4.185 19.775 -3.280 1.00 0.00 H new ATOM 0 HA2 GLY A 95 3.961 19.774 -5.991 1.00 0.00 H new ATOM 0 HA3 GLY A 95 4.584 21.378 -5.661 1.00 0.00 H new ATOM 1475 N PRO A 96 6.446 19.208 -6.201 1.00 0.00 N ATOM 1476 CA PRO A 96 7.772 18.614 -6.181 1.00 0.00 C ATOM 1477 C PRO A 96 8.856 19.693 -6.184 1.00 0.00 C ATOM 1478 O PRO A 96 9.712 19.721 -5.301 1.00 0.00 O ATOM 1479 CB PRO A 96 7.821 17.719 -7.408 1.00 0.00 C ATOM 1480 CG PRO A 96 6.702 18.198 -8.318 1.00 0.00 C ATOM 1481 CD PRO A 96 5.795 19.107 -7.504 1.00 0.00 C ATOM 0 HA PRO A 96 7.961 18.037 -5.276 1.00 0.00 H new ATOM 0 HB2 PRO A 96 8.788 17.792 -7.906 1.00 0.00 H new ATOM 0 HB3 PRO A 96 7.681 16.673 -7.134 1.00 0.00 H new ATOM 0 HG2 PRO A 96 7.110 18.734 -9.175 1.00 0.00 H new ATOM 0 HG3 PRO A 96 6.140 17.350 -8.710 1.00 0.00 H new ATOM 0 HD2 PRO A 96 5.692 20.086 -7.972 1.00 0.00 H new ATOM 0 HD3 PRO A 96 4.792 18.689 -7.415 1.00 0.00 H new ATOM 1489 N SER A 97 8.784 20.556 -7.187 1.00 0.00 N ATOM 1490 CA SER A 97 9.749 21.634 -7.317 1.00 0.00 C ATOM 1491 C SER A 97 11.139 21.062 -7.602 1.00 0.00 C ATOM 1492 O SER A 97 11.828 20.611 -6.688 1.00 0.00 O ATOM 1493 CB SER A 97 9.780 22.501 -6.056 1.00 0.00 C ATOM 1494 OG SER A 97 8.483 22.968 -5.698 1.00 0.00 O ATOM 0 H SER A 97 8.072 20.530 -7.917 1.00 0.00 H new ATOM 0 HA SER A 97 9.445 22.265 -8.152 1.00 0.00 H new ATOM 0 HB2 SER A 97 10.199 21.925 -5.230 1.00 0.00 H new ATOM 0 HB3 SER A 97 10.440 23.353 -6.218 1.00 0.00 H new ATOM 0 HG SER A 97 8.545 23.516 -4.888 1.00 0.00 H new ATOM 1500 N SER A 98 11.510 21.099 -8.874 1.00 0.00 N ATOM 1501 CA SER A 98 12.805 20.589 -9.290 1.00 0.00 C ATOM 1502 C SER A 98 13.743 21.752 -9.622 1.00 0.00 C ATOM 1503 O SER A 98 13.415 22.602 -10.449 1.00 0.00 O ATOM 1504 CB SER A 98 12.669 19.657 -10.496 1.00 0.00 C ATOM 1505 OG SER A 98 13.813 18.824 -10.659 1.00 0.00 O ATOM 0 H SER A 98 10.936 21.474 -9.629 1.00 0.00 H new ATOM 0 HA SER A 98 13.226 20.013 -8.466 1.00 0.00 H new ATOM 0 HB2 SER A 98 11.782 19.035 -10.375 1.00 0.00 H new ATOM 0 HB3 SER A 98 12.521 20.251 -11.398 1.00 0.00 H new ATOM 0 HG SER A 98 13.686 18.243 -11.438 1.00 0.00 H new ATOM 1511 N GLY A 99 14.891 21.751 -8.961 1.00 0.00 N ATOM 1512 CA GLY A 99 15.878 22.796 -9.175 1.00 0.00 C ATOM 1513 C GLY A 99 16.856 22.406 -10.286 1.00 0.00 C ATOM 1514 O GLY A 99 16.834 22.989 -11.369 1.00 0.00 O ATOM 0 H GLY A 99 15.160 21.044 -8.277 1.00 0.00 H new ATOM 0 HA2 GLY A 99 15.376 23.727 -9.438 1.00 0.00 H new ATOM 0 HA3 GLY A 99 16.426 22.979 -8.251 1.00 0.00 H new TER 1518 GLY A 99