USER MOD reduce.3.24.130724 H: found=0, std=0, add=877, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 871 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 18 ASN :FLIP amide:sc= -2.2 F(o=-3.3,f=-2.2) USER MOD Set 1.2: A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ -116:sc= 0.101 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.042 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot -104:sc= 0.0152 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 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 16 MET CE :methyl 161:sc= -3.67 (180deg=-4.91!) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 44:sc= -1.26 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 180:sc= -1.19 USER MOD Single : A 36 ASN : amide:sc=-0.00608 X(o=-0.0061,f=-0.02) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 HIS :FLIP no HE2:sc= 0.0575 F(o=-0.56,f=0.057) USER MOD Single : A 47 TYR OH : rot 80:sc= 0.0392 USER MOD Single : A 49 ASN : amide:sc= 0.687 K(o=0.69,f=0) USER MOD Single : A 52 MET CE :methyl -170:sc= 0 (180deg=-0.0837) USER MOD Single : A 58 GLN : amide:sc= -0.256 K(o=-0.26,f=-2.4!) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 63 ASN : amide:sc= -0.196 X(o=-0.2,f=0) USER MOD Single : A 69 TYR OH : rot 30:sc= 0 USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 77 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 MET CE :methyl 165:sc= -3.73 (180deg=-4.09!) USER MOD Single : A 94 HIS : no HD1:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 ASN : amide:sc= -0.248 K(o=-0.25,f=-1.4!) USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 107 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 109 GLN : amide:sc= -0.0341 K(o=-0.034,f=-1.9) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -27.090 -5.468 -23.593 1.00 0.00 N ATOM 2 CA GLY A 1 -26.522 -6.803 -23.682 1.00 0.00 C ATOM 3 C GLY A 1 -25.391 -6.986 -22.668 1.00 0.00 C ATOM 4 O GLY A 1 -25.044 -6.054 -21.944 1.00 0.00 O ATOM 0 H1 GLY A 1 -28.083 -5.533 -23.290 1.00 0.00 H new ATOM 0 H2 GLY A 1 -26.553 -4.908 -22.901 1.00 0.00 H new ATOM 0 H3 GLY A 1 -27.041 -5.007 -24.524 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -27.300 -7.546 -23.503 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -26.143 -6.975 -24.690 1.00 0.00 H new ATOM 8 N SER A 2 -24.848 -8.194 -22.647 1.00 0.00 N ATOM 9 CA SER A 2 -23.764 -8.512 -21.734 1.00 0.00 C ATOM 10 C SER A 2 -22.791 -9.490 -22.396 1.00 0.00 C ATOM 11 O SER A 2 -23.160 -10.204 -23.326 1.00 0.00 O ATOM 12 CB SER A 2 -24.300 -9.100 -20.427 1.00 0.00 C ATOM 13 OG SER A 2 -23.251 -9.556 -19.577 1.00 0.00 O ATOM 0 H SER A 2 -25.139 -8.965 -23.248 1.00 0.00 H new ATOM 0 HA SER A 2 -23.235 -7.589 -21.496 1.00 0.00 H new ATOM 0 HB2 SER A 2 -24.888 -8.346 -19.904 1.00 0.00 H new ATOM 0 HB3 SER A 2 -24.971 -9.929 -20.651 1.00 0.00 H new ATOM 0 HG SER A 2 -23.634 -9.923 -18.753 1.00 0.00 H new ATOM 19 N SER A 3 -21.566 -9.490 -21.890 1.00 0.00 N ATOM 20 CA SER A 3 -20.537 -10.368 -22.420 1.00 0.00 C ATOM 21 C SER A 3 -20.779 -11.803 -21.947 1.00 0.00 C ATOM 22 O SER A 3 -20.936 -12.711 -22.762 1.00 0.00 O ATOM 23 CB SER A 3 -19.143 -9.899 -22.001 1.00 0.00 C ATOM 24 OG SER A 3 -18.224 -9.914 -23.091 1.00 0.00 O ATOM 0 H SER A 3 -21.263 -8.896 -21.118 1.00 0.00 H new ATOM 0 HA SER A 3 -20.589 -10.337 -23.508 1.00 0.00 H new ATOM 0 HB2 SER A 3 -19.207 -8.890 -21.595 1.00 0.00 H new ATOM 0 HB3 SER A 3 -18.769 -10.541 -21.203 1.00 0.00 H new ATOM 0 HG SER A 3 -17.346 -9.606 -22.783 1.00 0.00 H new ATOM 30 N GLY A 4 -20.801 -11.963 -20.632 1.00 0.00 N ATOM 31 CA GLY A 4 -21.021 -13.272 -20.041 1.00 0.00 C ATOM 32 C GLY A 4 -19.965 -13.577 -18.977 1.00 0.00 C ATOM 33 O GLY A 4 -18.775 -13.644 -19.280 1.00 0.00 O ATOM 0 H GLY A 4 -20.670 -11.208 -19.959 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -22.014 -13.311 -19.594 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -20.991 -14.036 -20.818 1.00 0.00 H new ATOM 37 N SER A 5 -20.439 -13.754 -17.752 1.00 0.00 N ATOM 38 CA SER A 5 -19.551 -14.051 -16.642 1.00 0.00 C ATOM 39 C SER A 5 -20.343 -14.669 -15.488 1.00 0.00 C ATOM 40 O SER A 5 -21.535 -14.405 -15.337 1.00 0.00 O ATOM 41 CB SER A 5 -18.821 -12.792 -16.169 1.00 0.00 C ATOM 42 OG SER A 5 -17.807 -13.090 -15.212 1.00 0.00 O ATOM 0 H SER A 5 -21.427 -13.697 -17.504 1.00 0.00 H new ATOM 0 HA SER A 5 -18.803 -14.766 -16.985 1.00 0.00 H new ATOM 0 HB2 SER A 5 -18.374 -12.289 -17.026 1.00 0.00 H new ATOM 0 HB3 SER A 5 -19.540 -12.099 -15.732 1.00 0.00 H new ATOM 0 HG SER A 5 -18.120 -12.844 -14.316 1.00 0.00 H new ATOM 48 N SER A 6 -19.649 -15.481 -14.704 1.00 0.00 N ATOM 49 CA SER A 6 -20.274 -16.140 -13.569 1.00 0.00 C ATOM 50 C SER A 6 -19.726 -15.562 -12.263 1.00 0.00 C ATOM 51 O SER A 6 -18.797 -16.115 -11.677 1.00 0.00 O ATOM 52 CB SER A 6 -20.047 -17.652 -13.617 1.00 0.00 C ATOM 53 OG SER A 6 -20.972 -18.357 -12.793 1.00 0.00 O ATOM 0 H SER A 6 -18.661 -15.698 -14.832 1.00 0.00 H new ATOM 0 HA SER A 6 -21.348 -15.960 -13.617 1.00 0.00 H new ATOM 0 HB2 SER A 6 -20.139 -18.000 -14.646 1.00 0.00 H new ATOM 0 HB3 SER A 6 -19.030 -17.876 -13.295 1.00 0.00 H new ATOM 0 HG SER A 6 -20.795 -19.319 -12.852 1.00 0.00 H new ATOM 59 N GLY A 7 -20.325 -14.456 -11.845 1.00 0.00 N ATOM 60 CA GLY A 7 -19.909 -13.797 -10.619 1.00 0.00 C ATOM 61 C GLY A 7 -18.922 -12.666 -10.912 1.00 0.00 C ATOM 62 O GLY A 7 -18.567 -12.430 -12.067 1.00 0.00 O ATOM 0 H GLY A 7 -21.095 -14.000 -12.334 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -20.782 -13.398 -10.102 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -19.447 -14.523 -9.950 1.00 0.00 H new ATOM 66 N MET A 8 -18.505 -11.996 -9.848 1.00 0.00 N ATOM 67 CA MET A 8 -17.565 -10.895 -9.977 1.00 0.00 C ATOM 68 C MET A 8 -16.430 -11.022 -8.960 1.00 0.00 C ATOM 69 O MET A 8 -15.257 -11.045 -9.332 1.00 0.00 O ATOM 70 CB MET A 8 -18.299 -9.570 -9.761 1.00 0.00 C ATOM 71 CG MET A 8 -18.927 -9.072 -11.064 1.00 0.00 C ATOM 72 SD MET A 8 -20.539 -8.379 -10.739 1.00 0.00 S ATOM 73 CE MET A 8 -20.177 -6.643 -10.941 1.00 0.00 C ATOM 0 H MET A 8 -18.801 -12.194 -8.892 1.00 0.00 H new ATOM 0 HA MET A 8 -17.135 -10.923 -10.978 1.00 0.00 H new ATOM 0 HB2 MET A 8 -19.074 -9.699 -9.006 1.00 0.00 H new ATOM 0 HB3 MET A 8 -17.603 -8.823 -9.380 1.00 0.00 H new ATOM 0 HG2 MET A 8 -18.285 -8.320 -11.523 1.00 0.00 H new ATOM 0 HG3 MET A 8 -19.012 -9.895 -11.774 1.00 0.00 H new ATOM 0 HE1 MET A 8 -21.083 -6.060 -10.772 1.00 0.00 H new ATOM 0 HE2 MET A 8 -19.414 -6.344 -10.222 1.00 0.00 H new ATOM 0 HE3 MET A 8 -19.813 -6.462 -11.953 1.00 0.00 H new ATOM 83 N SER A 9 -16.816 -11.102 -7.695 1.00 0.00 N ATOM 84 CA SER A 9 -15.845 -11.226 -6.622 1.00 0.00 C ATOM 85 C SER A 9 -16.550 -11.613 -5.320 1.00 0.00 C ATOM 86 O SER A 9 -16.252 -12.652 -4.734 1.00 0.00 O ATOM 87 CB SER A 9 -15.062 -9.925 -6.434 1.00 0.00 C ATOM 88 OG SER A 9 -14.041 -10.054 -5.449 1.00 0.00 O ATOM 0 H SER A 9 -17.789 -11.083 -7.389 1.00 0.00 H new ATOM 0 HA SER A 9 -15.137 -12.009 -6.891 1.00 0.00 H new ATOM 0 HB2 SER A 9 -14.615 -9.631 -7.383 1.00 0.00 H new ATOM 0 HB3 SER A 9 -15.747 -9.128 -6.144 1.00 0.00 H new ATOM 0 HG SER A 9 -13.563 -9.203 -5.360 1.00 0.00 H new ATOM 94 N SER A 10 -17.472 -10.755 -4.906 1.00 0.00 N ATOM 95 CA SER A 10 -18.221 -10.994 -3.685 1.00 0.00 C ATOM 96 C SER A 10 -17.263 -11.121 -2.499 1.00 0.00 C ATOM 97 O SER A 10 -16.766 -12.209 -2.211 1.00 0.00 O ATOM 98 CB SER A 10 -19.085 -12.251 -3.805 1.00 0.00 C ATOM 99 OG SER A 10 -20.252 -12.178 -2.990 1.00 0.00 O ATOM 0 H SER A 10 -17.717 -9.894 -5.395 1.00 0.00 H new ATOM 0 HA SER A 10 -18.884 -10.145 -3.520 1.00 0.00 H new ATOM 0 HB2 SER A 10 -19.378 -12.391 -4.845 1.00 0.00 H new ATOM 0 HB3 SER A 10 -18.497 -13.123 -3.519 1.00 0.00 H new ATOM 0 HG SER A 10 -20.777 -12.999 -3.096 1.00 0.00 H new ATOM 105 N HIS A 11 -17.033 -9.993 -1.842 1.00 0.00 N ATOM 106 CA HIS A 11 -16.143 -9.964 -0.694 1.00 0.00 C ATOM 107 C HIS A 11 -14.726 -10.339 -1.133 1.00 0.00 C ATOM 108 O HIS A 11 -14.547 -11.165 -2.026 1.00 0.00 O ATOM 109 CB HIS A 11 -16.673 -10.861 0.427 1.00 0.00 C ATOM 110 CG HIS A 11 -17.258 -10.104 1.595 1.00 0.00 C ATOM 111 ND1 HIS A 11 -16.486 -9.621 2.638 1.00 0.00 N ATOM 112 CD2 HIS A 11 -18.545 -9.750 1.873 1.00 0.00 C ATOM 113 CE1 HIS A 11 -17.284 -9.008 3.499 1.00 0.00 C ATOM 114 NE2 HIS A 11 -18.560 -9.089 3.024 1.00 0.00 N ATOM 0 H HIS A 11 -17.448 -9.093 -2.083 1.00 0.00 H new ATOM 0 HA HIS A 11 -16.104 -8.954 -0.285 1.00 0.00 H new ATOM 0 HB2 HIS A 11 -17.436 -11.524 0.018 1.00 0.00 H new ATOM 0 HB3 HIS A 11 -15.861 -11.493 0.787 1.00 0.00 H new ATOM 0 HD2 HIS A 11 -19.407 -9.970 1.260 1.00 0.00 H new ATOM 0 HE1 HIS A 11 -16.978 -8.528 4.417 1.00 0.00 H new ATOM 0 HE2 HIS A 11 -19.389 -8.705 3.478 1.00 0.00 H new ATOM 122 N VAL A 12 -13.755 -9.713 -0.484 1.00 0.00 N ATOM 123 CA VAL A 12 -12.359 -9.970 -0.797 1.00 0.00 C ATOM 124 C VAL A 12 -12.038 -11.438 -0.506 1.00 0.00 C ATOM 125 O VAL A 12 -12.447 -11.975 0.522 1.00 0.00 O ATOM 126 CB VAL A 12 -11.463 -8.999 -0.027 1.00 0.00 C ATOM 127 CG1 VAL A 12 -9.992 -9.199 -0.397 1.00 0.00 C ATOM 128 CG2 VAL A 12 -11.895 -7.550 -0.262 1.00 0.00 C ATOM 0 H VAL A 12 -13.907 -9.029 0.257 1.00 0.00 H new ATOM 0 HA VAL A 12 -12.167 -9.798 -1.856 1.00 0.00 H new ATOM 0 HB VAL A 12 -11.573 -9.213 1.036 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -9.377 -8.496 0.165 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -9.691 -10.218 -0.155 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -9.859 -9.025 -1.465 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -11.241 -6.880 0.297 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -11.828 -7.318 -1.325 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -12.923 -7.418 0.074 1.00 0.00 H new ATOM 138 N PRO A 13 -11.290 -12.061 -1.456 1.00 0.00 N ATOM 139 CA PRO A 13 -10.909 -13.456 -1.312 1.00 0.00 C ATOM 140 C PRO A 13 -9.793 -13.616 -0.277 1.00 0.00 C ATOM 141 O PRO A 13 -9.441 -12.661 0.414 1.00 0.00 O ATOM 142 CB PRO A 13 -10.494 -13.896 -2.706 1.00 0.00 C ATOM 143 CG PRO A 13 -10.214 -12.619 -3.481 1.00 0.00 C ATOM 144 CD PRO A 13 -10.788 -11.457 -2.686 1.00 0.00 C ATOM 0 HA PRO A 13 -11.722 -14.078 -0.938 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -9.609 -14.531 -2.668 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -11.283 -14.477 -3.183 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -9.142 -12.489 -3.628 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -10.668 -12.666 -4.471 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -10.026 -10.706 -2.476 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -11.585 -10.957 -3.236 1.00 0.00 H new ATOM 152 N ALA A 14 -9.268 -14.830 -0.203 1.00 0.00 N ATOM 153 CA ALA A 14 -8.199 -15.128 0.735 1.00 0.00 C ATOM 154 C ALA A 14 -6.894 -15.335 -0.035 1.00 0.00 C ATOM 155 O ALA A 14 -5.847 -15.577 0.565 1.00 0.00 O ATOM 156 CB ALA A 14 -8.582 -16.348 1.574 1.00 0.00 C ATOM 0 H ALA A 14 -9.563 -15.619 -0.778 1.00 0.00 H new ATOM 0 HA ALA A 14 -8.047 -14.295 1.422 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -7.780 -16.572 2.278 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -9.499 -16.138 2.124 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -8.740 -17.205 0.919 1.00 0.00 H new ATOM 162 N ASP A 15 -6.998 -15.233 -1.351 1.00 0.00 N ATOM 163 CA ASP A 15 -5.838 -15.406 -2.209 1.00 0.00 C ATOM 164 C ASP A 15 -5.293 -14.033 -2.607 1.00 0.00 C ATOM 165 O ASP A 15 -4.091 -13.875 -2.818 1.00 0.00 O ATOM 166 CB ASP A 15 -6.208 -16.156 -3.490 1.00 0.00 C ATOM 167 CG ASP A 15 -5.141 -17.126 -4.003 1.00 0.00 C ATOM 168 OD1 ASP A 15 -4.189 -16.634 -4.647 1.00 0.00 O ATOM 169 OD2 ASP A 15 -5.300 -18.337 -3.739 1.00 0.00 O ATOM 0 H ASP A 15 -7.868 -15.033 -1.845 1.00 0.00 H new ATOM 0 HA ASP A 15 -5.093 -15.979 -1.657 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -7.129 -16.712 -3.314 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -6.420 -15.427 -4.272 1.00 0.00 H new ATOM 174 N MET A 16 -6.203 -13.074 -2.696 1.00 0.00 N ATOM 175 CA MET A 16 -5.829 -11.719 -3.065 1.00 0.00 C ATOM 176 C MET A 16 -5.662 -10.840 -1.824 1.00 0.00 C ATOM 177 O MET A 16 -5.929 -11.280 -0.706 1.00 0.00 O ATOM 178 CB MET A 16 -6.904 -11.121 -3.974 1.00 0.00 C ATOM 179 CG MET A 16 -7.146 -12.011 -5.195 1.00 0.00 C ATOM 180 SD MET A 16 -5.593 -12.404 -5.981 1.00 0.00 S ATOM 181 CE MET A 16 -5.134 -10.789 -6.586 1.00 0.00 C ATOM 0 H MET A 16 -7.198 -13.208 -2.519 1.00 0.00 H new ATOM 0 HA MET A 16 -4.876 -11.756 -3.592 1.00 0.00 H new ATOM 0 HB2 MET A 16 -7.833 -11.003 -3.416 1.00 0.00 H new ATOM 0 HB3 MET A 16 -6.599 -10.126 -4.299 1.00 0.00 H new ATOM 0 HG2 MET A 16 -7.652 -12.928 -4.893 1.00 0.00 H new ATOM 0 HG3 MET A 16 -7.802 -11.503 -5.901 1.00 0.00 H new ATOM 0 HE1 MET A 16 -4.065 -10.770 -6.799 1.00 0.00 H new ATOM 0 HE2 MET A 16 -5.690 -10.571 -7.498 1.00 0.00 H new ATOM 0 HE3 MET A 16 -5.367 -10.038 -5.831 1.00 0.00 H new ATOM 191 N ILE A 17 -5.223 -9.612 -2.062 1.00 0.00 N ATOM 192 CA ILE A 17 -5.018 -8.667 -0.977 1.00 0.00 C ATOM 193 C ILE A 17 -5.675 -7.334 -1.338 1.00 0.00 C ATOM 194 O ILE A 17 -5.347 -6.732 -2.359 1.00 0.00 O ATOM 195 CB ILE A 17 -3.530 -8.549 -0.643 1.00 0.00 C ATOM 196 CG1 ILE A 17 -2.952 -9.903 -0.226 1.00 0.00 C ATOM 197 CG2 ILE A 17 -3.289 -7.473 0.417 1.00 0.00 C ATOM 198 CD1 ILE A 17 -1.535 -10.086 -0.773 1.00 0.00 C ATOM 0 H ILE A 17 -5.004 -9.250 -2.990 1.00 0.00 H new ATOM 0 HA ILE A 17 -5.498 -9.023 -0.065 1.00 0.00 H new ATOM 0 HB ILE A 17 -3.002 -8.237 -1.544 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -2.938 -9.977 0.861 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -3.593 -10.705 -0.592 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -2.223 -7.410 0.636 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -3.641 -6.511 0.045 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -3.831 -7.730 1.327 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -1.147 -11.056 -0.462 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -1.556 -10.035 -1.862 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -0.891 -9.297 -0.385 1.00 0.00 H new ATOM 210 N ASN A 18 -6.592 -6.911 -0.479 1.00 0.00 N ATOM 211 CA ASN A 18 -7.298 -5.659 -0.695 1.00 0.00 C ATOM 212 C ASN A 18 -6.402 -4.494 -0.269 1.00 0.00 C ATOM 213 O ASN A 18 -5.935 -4.448 0.868 1.00 0.00 O ATOM 214 CB ASN A 18 -8.579 -5.599 0.139 1.00 0.00 C ATOM 215 CG ASN A 18 -9.761 -5.120 -0.706 1.00 0.00 C ATOM 216 OD1 ASN A 18 -10.443 -4.116 -0.162 1.00 0.00 O flip ATOM 217 ND2 ASN A 18 -10.035 -5.627 -1.781 1.00 0.00 N flip ATOM 0 H ASN A 18 -6.862 -7.413 0.367 1.00 0.00 H new ATOM 0 HA ASN A 18 -7.552 -5.593 -1.753 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -8.797 -6.585 0.549 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -8.436 -4.926 0.985 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -9.469 -6.396 -2.141 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -10.830 -5.282 -2.320 1.00 0.00 H new ATOM 224 N LEU A 19 -6.190 -3.580 -1.205 1.00 0.00 N ATOM 225 CA LEU A 19 -5.359 -2.418 -0.942 1.00 0.00 C ATOM 226 C LEU A 19 -6.215 -1.153 -1.034 1.00 0.00 C ATOM 227 O LEU A 19 -7.032 -1.017 -1.943 1.00 0.00 O ATOM 228 CB LEU A 19 -4.143 -2.407 -1.870 1.00 0.00 C ATOM 229 CG LEU A 19 -2.950 -3.253 -1.422 1.00 0.00 C ATOM 230 CD1 LEU A 19 -2.149 -2.538 -0.332 1.00 0.00 C ATOM 231 CD2 LEU A 19 -3.401 -4.647 -0.981 1.00 0.00 C ATOM 0 H LEU A 19 -6.580 -3.621 -2.147 1.00 0.00 H new ATOM 0 HA LEU A 19 -4.957 -2.459 0.070 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -4.459 -2.753 -2.854 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -3.809 -1.376 -1.986 1.00 0.00 H new ATOM 0 HG LEU A 19 -2.285 -3.385 -2.276 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -1.307 -3.161 -0.032 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -1.778 -1.588 -0.717 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -2.790 -2.355 0.530 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.534 -5.228 -0.668 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -4.098 -4.557 -0.148 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -3.893 -5.150 -1.813 1.00 0.00 H new ATOM 243 N ARG A 20 -5.997 -0.259 -0.081 1.00 0.00 N ATOM 244 CA ARG A 20 -6.738 0.991 -0.044 1.00 0.00 C ATOM 245 C ARG A 20 -5.926 2.109 -0.700 1.00 0.00 C ATOM 246 O ARG A 20 -4.930 2.567 -0.143 1.00 0.00 O ATOM 247 CB ARG A 20 -7.073 1.390 1.395 1.00 0.00 C ATOM 248 CG ARG A 20 -8.573 1.258 1.666 1.00 0.00 C ATOM 249 CD ARG A 20 -8.912 1.684 3.096 1.00 0.00 C ATOM 250 NE ARG A 20 -10.331 1.386 3.389 1.00 0.00 N ATOM 251 CZ ARG A 20 -10.867 1.418 4.617 1.00 0.00 C ATOM 252 NH1 ARG A 20 -10.105 1.735 5.673 1.00 0.00 N ATOM 253 NH2 ARG A 20 -12.165 1.134 4.790 1.00 0.00 N ATOM 0 H ARG A 20 -5.318 -0.375 0.671 1.00 0.00 H new ATOM 0 HA ARG A 20 -7.667 0.842 -0.594 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -6.518 0.760 2.090 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -6.757 2.418 1.574 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -9.129 1.872 0.958 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -8.885 0.226 1.507 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -8.268 1.160 3.803 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -8.722 2.750 3.222 1.00 0.00 H new ATOM 0 HE ARG A 20 -10.939 1.141 2.608 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -9.117 1.952 5.542 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -10.513 1.759 6.607 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -12.746 0.893 3.987 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -12.572 1.159 5.725 1.00 0.00 H new ATOM 267 N LEU A 21 -6.383 2.517 -1.876 1.00 0.00 N ATOM 268 CA LEU A 21 -5.711 3.573 -2.614 1.00 0.00 C ATOM 269 C LEU A 21 -6.299 4.926 -2.208 1.00 0.00 C ATOM 270 O LEU A 21 -7.510 5.128 -2.285 1.00 0.00 O ATOM 271 CB LEU A 21 -5.776 3.300 -4.118 1.00 0.00 C ATOM 272 CG LEU A 21 -4.909 2.147 -4.628 1.00 0.00 C ATOM 273 CD1 LEU A 21 -3.428 2.534 -4.629 1.00 0.00 C ATOM 274 CD2 LEU A 21 -5.167 0.870 -3.827 1.00 0.00 C ATOM 0 H LEU A 21 -7.210 2.135 -2.335 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.650 3.598 -2.364 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -6.813 3.095 -4.386 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -5.484 4.208 -4.645 1.00 0.00 H new ATOM 0 HG LEU A 21 -5.189 1.940 -5.661 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -2.834 1.697 -4.996 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -3.278 3.397 -5.277 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -3.116 2.783 -3.615 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -4.538 0.067 -4.210 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -4.932 1.045 -2.777 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -6.215 0.587 -3.922 1.00 0.00 H new ATOM 286 N ILE A 22 -5.415 5.817 -1.786 1.00 0.00 N ATOM 287 CA ILE A 22 -5.831 7.145 -1.369 1.00 0.00 C ATOM 288 C ILE A 22 -4.866 8.182 -1.946 1.00 0.00 C ATOM 289 O ILE A 22 -3.650 8.008 -1.881 1.00 0.00 O ATOM 290 CB ILE A 22 -5.965 7.210 0.154 1.00 0.00 C ATOM 291 CG1 ILE A 22 -7.085 6.291 0.646 1.00 0.00 C ATOM 292 CG2 ILE A 22 -6.159 8.653 0.626 1.00 0.00 C ATOM 293 CD1 ILE A 22 -6.514 5.080 1.386 1.00 0.00 C ATOM 0 H ILE A 22 -4.411 5.645 -1.724 1.00 0.00 H new ATOM 0 HA ILE A 22 -6.820 7.376 -1.764 1.00 0.00 H new ATOM 0 HB ILE A 22 -5.036 6.849 0.594 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -7.751 6.845 1.307 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -7.684 5.955 -0.201 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -6.252 8.671 1.712 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -5.300 9.253 0.325 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -7.064 9.064 0.178 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -7.331 4.443 1.725 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -5.868 4.515 0.715 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -5.936 5.418 2.246 1.00 0.00 H new ATOM 305 N LEU A 23 -5.444 9.239 -2.499 1.00 0.00 N ATOM 306 CA LEU A 23 -4.651 10.304 -3.087 1.00 0.00 C ATOM 307 C LEU A 23 -5.093 11.647 -2.501 1.00 0.00 C ATOM 308 O LEU A 23 -4.489 12.143 -1.552 1.00 0.00 O ATOM 309 CB LEU A 23 -4.724 10.246 -4.614 1.00 0.00 C ATOM 310 CG LEU A 23 -3.399 10.003 -5.340 1.00 0.00 C ATOM 311 CD1 LEU A 23 -3.286 8.549 -5.804 1.00 0.00 C ATOM 312 CD2 LEU A 23 -3.218 10.989 -6.496 1.00 0.00 C ATOM 0 H LEU A 23 -6.453 9.380 -2.552 1.00 0.00 H new ATOM 0 HA LEU A 23 -3.598 10.177 -2.836 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -5.420 9.455 -4.895 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -5.146 11.184 -4.974 1.00 0.00 H new ATOM 0 HG LEU A 23 -2.586 10.180 -4.635 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -2.335 8.404 -6.317 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -3.337 7.886 -4.940 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -4.105 8.320 -6.486 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -2.269 10.794 -6.995 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -4.034 10.868 -7.209 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -3.222 12.008 -6.109 1.00 0.00 H new ATOM 324 N VAL A 24 -6.143 12.197 -3.092 1.00 0.00 N ATOM 325 CA VAL A 24 -6.673 13.472 -2.641 1.00 0.00 C ATOM 326 C VAL A 24 -8.159 13.314 -2.310 1.00 0.00 C ATOM 327 O VAL A 24 -8.758 12.282 -2.608 1.00 0.00 O ATOM 328 CB VAL A 24 -6.407 14.551 -3.693 1.00 0.00 C ATOM 329 CG1 VAL A 24 -4.915 14.881 -3.774 1.00 0.00 C ATOM 330 CG2 VAL A 24 -6.951 14.131 -5.059 1.00 0.00 C ATOM 0 H VAL A 24 -6.641 11.783 -3.880 1.00 0.00 H new ATOM 0 HA VAL A 24 -6.169 13.794 -1.730 1.00 0.00 H new ATOM 0 HB VAL A 24 -6.934 15.455 -3.387 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -4.753 15.650 -4.529 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -4.570 15.244 -2.806 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -4.358 13.984 -4.045 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -6.749 14.916 -5.788 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -6.466 13.208 -5.376 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -8.027 13.970 -4.988 1.00 0.00 H new ATOM 340 N SER A 25 -8.709 14.352 -1.697 1.00 0.00 N ATOM 341 CA SER A 25 -10.113 14.341 -1.322 1.00 0.00 C ATOM 342 C SER A 25 -10.310 13.502 -0.057 1.00 0.00 C ATOM 343 O SER A 25 -10.856 13.986 0.933 1.00 0.00 O ATOM 344 CB SER A 25 -10.983 13.799 -2.458 1.00 0.00 C ATOM 345 OG SER A 25 -12.042 14.692 -2.791 1.00 0.00 O ATOM 0 H SER A 25 -8.208 15.206 -1.451 1.00 0.00 H new ATOM 0 HA SER A 25 -10.421 15.367 -1.122 1.00 0.00 H new ATOM 0 HB2 SER A 25 -10.364 13.626 -3.338 1.00 0.00 H new ATOM 0 HB3 SER A 25 -11.400 12.835 -2.167 1.00 0.00 H new ATOM 0 HG SER A 25 -12.573 14.311 -3.521 1.00 0.00 H new ATOM 351 N GLY A 26 -9.856 12.260 -0.132 1.00 0.00 N ATOM 352 CA GLY A 26 -9.975 11.350 0.994 1.00 0.00 C ATOM 353 C GLY A 26 -10.516 9.991 0.546 1.00 0.00 C ATOM 354 O GLY A 26 -10.034 8.950 0.990 1.00 0.00 O ATOM 0 H GLY A 26 -9.405 11.862 -0.956 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -9.001 11.220 1.466 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -10.638 11.780 1.745 1.00 0.00 H new ATOM 358 N LYS A 27 -11.509 10.044 -0.330 1.00 0.00 N ATOM 359 CA LYS A 27 -12.120 8.830 -0.843 1.00 0.00 C ATOM 360 C LYS A 27 -11.023 7.830 -1.216 1.00 0.00 C ATOM 361 O LYS A 27 -10.077 8.176 -1.922 1.00 0.00 O ATOM 362 CB LYS A 27 -13.073 9.155 -1.995 1.00 0.00 C ATOM 363 CG LYS A 27 -14.530 9.115 -1.529 1.00 0.00 C ATOM 364 CD LYS A 27 -15.185 7.781 -1.894 1.00 0.00 C ATOM 365 CE LYS A 27 -15.404 6.919 -0.648 1.00 0.00 C ATOM 366 NZ LYS A 27 -16.844 6.843 -0.317 1.00 0.00 N ATOM 0 H LYS A 27 -11.905 10.909 -0.697 1.00 0.00 H new ATOM 0 HA LYS A 27 -12.734 8.359 -0.075 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -12.842 10.142 -2.395 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -12.927 8.441 -2.805 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -14.575 9.263 -0.450 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -15.085 9.934 -1.987 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -16.140 7.963 -2.387 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -14.556 7.245 -2.605 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -15.011 5.917 -0.818 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -14.853 7.339 0.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -16.975 6.255 0.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -17.209 7.799 -0.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -17.362 6.421 -1.114 1.00 0.00 H new ATOM 380 N THR A 28 -11.186 6.611 -0.725 1.00 0.00 N ATOM 381 CA THR A 28 -10.222 5.559 -0.998 1.00 0.00 C ATOM 382 C THR A 28 -10.788 4.567 -2.015 1.00 0.00 C ATOM 383 O THR A 28 -12.004 4.461 -2.174 1.00 0.00 O ATOM 384 CB THR A 28 -9.839 4.911 0.334 1.00 0.00 C ATOM 385 OG1 THR A 28 -8.997 3.823 -0.038 1.00 0.00 O ATOM 386 CG2 THR A 28 -11.030 4.242 1.023 1.00 0.00 C ATOM 0 H THR A 28 -11.972 6.328 -0.139 1.00 0.00 H new ATOM 0 HA THR A 28 -9.317 5.961 -1.453 1.00 0.00 H new ATOM 0 HB THR A 28 -9.414 5.666 0.996 1.00 0.00 H new ATOM 0 HG1 THR A 28 -8.362 4.120 -0.723 1.00 0.00 H new ATOM 0 HG21 THR A 28 -10.704 3.798 1.963 1.00 0.00 H new ATOM 0 HG22 THR A 28 -11.801 4.987 1.221 1.00 0.00 H new ATOM 0 HG23 THR A 28 -11.435 3.464 0.376 1.00 0.00 H new ATOM 394 N LYS A 29 -9.881 3.865 -2.678 1.00 0.00 N ATOM 395 CA LYS A 29 -10.275 2.885 -3.676 1.00 0.00 C ATOM 396 C LYS A 29 -9.725 1.513 -3.282 1.00 0.00 C ATOM 397 O LYS A 29 -8.548 1.385 -2.947 1.00 0.00 O ATOM 398 CB LYS A 29 -9.848 3.341 -5.073 1.00 0.00 C ATOM 399 CG LYS A 29 -10.827 2.840 -6.136 1.00 0.00 C ATOM 400 CD LYS A 29 -11.289 3.985 -7.039 1.00 0.00 C ATOM 401 CE LYS A 29 -12.397 3.523 -7.988 1.00 0.00 C ATOM 402 NZ LYS A 29 -12.377 4.320 -9.235 1.00 0.00 N ATOM 0 H LYS A 29 -8.874 3.955 -2.544 1.00 0.00 H new ATOM 0 HA LYS A 29 -11.361 2.795 -3.714 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -9.797 4.429 -5.104 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -8.847 2.969 -5.291 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -10.351 2.067 -6.738 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -11.690 2.382 -5.653 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -11.650 4.812 -6.428 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -10.444 4.361 -7.616 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -12.266 2.467 -8.222 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -13.367 3.624 -7.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -13.135 3.994 -9.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -12.524 5.324 -9.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -11.458 4.203 -9.707 1.00 0.00 H new ATOM 416 N GLU A 30 -10.602 0.521 -3.335 1.00 0.00 N ATOM 417 CA GLU A 30 -10.218 -0.837 -2.988 1.00 0.00 C ATOM 418 C GLU A 30 -9.735 -1.586 -4.232 1.00 0.00 C ATOM 419 O GLU A 30 -10.457 -1.682 -5.223 1.00 0.00 O ATOM 420 CB GLU A 30 -11.376 -1.578 -2.317 1.00 0.00 C ATOM 421 CG GLU A 30 -11.643 -1.024 -0.916 1.00 0.00 C ATOM 422 CD GLU A 30 -12.661 -1.889 -0.169 1.00 0.00 C ATOM 423 OE1 GLU A 30 -13.605 -2.361 -0.839 1.00 0.00 O ATOM 424 OE2 GLU A 30 -12.472 -2.058 1.055 1.00 0.00 O ATOM 0 H GLU A 30 -11.577 0.631 -3.613 1.00 0.00 H new ATOM 0 HA GLU A 30 -9.396 -0.791 -2.274 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -12.275 -1.484 -2.927 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -11.144 -2.641 -2.253 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -10.711 -0.985 -0.353 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -12.014 -0.002 -0.990 1.00 0.00 H new ATOM 431 N PHE A 31 -8.516 -2.098 -4.138 1.00 0.00 N ATOM 432 CA PHE A 31 -7.928 -2.835 -5.243 1.00 0.00 C ATOM 433 C PHE A 31 -7.671 -4.293 -4.854 1.00 0.00 C ATOM 434 O PHE A 31 -7.879 -4.678 -3.705 1.00 0.00 O ATOM 435 CB PHE A 31 -6.592 -2.164 -5.569 1.00 0.00 C ATOM 436 CG PHE A 31 -6.709 -0.983 -6.535 1.00 0.00 C ATOM 437 CD1 PHE A 31 -7.562 0.040 -6.258 1.00 0.00 C ATOM 438 CD2 PHE A 31 -5.960 -0.956 -7.669 1.00 0.00 C ATOM 439 CE1 PHE A 31 -7.670 1.136 -7.155 1.00 0.00 C ATOM 440 CE2 PHE A 31 -6.068 0.140 -8.566 1.00 0.00 C ATOM 441 CZ PHE A 31 -6.921 1.163 -8.289 1.00 0.00 C ATOM 0 H PHE A 31 -7.920 -2.017 -3.314 1.00 0.00 H new ATOM 0 HA PHE A 31 -8.605 -2.828 -6.097 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -6.135 -1.818 -4.642 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -5.919 -2.906 -5.998 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -8.157 0.019 -5.357 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -5.283 -1.768 -7.888 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -8.347 1.948 -6.936 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -5.473 0.161 -9.467 1.00 0.00 H new ATOM 0 HZ PHE A 31 -7.003 1.997 -8.970 1.00 0.00 H new ATOM 451 N LEU A 32 -7.221 -5.063 -5.834 1.00 0.00 N ATOM 452 CA LEU A 32 -6.934 -6.469 -5.609 1.00 0.00 C ATOM 453 C LEU A 32 -5.542 -6.794 -6.156 1.00 0.00 C ATOM 454 O LEU A 32 -5.239 -6.494 -7.310 1.00 0.00 O ATOM 455 CB LEU A 32 -8.044 -7.344 -6.194 1.00 0.00 C ATOM 456 CG LEU A 32 -9.339 -7.415 -5.383 1.00 0.00 C ATOM 457 CD1 LEU A 32 -10.554 -7.564 -6.301 1.00 0.00 C ATOM 458 CD2 LEU A 32 -9.271 -8.530 -4.337 1.00 0.00 C ATOM 0 H LEU A 32 -7.048 -4.739 -6.786 1.00 0.00 H new ATOM 0 HA LEU A 32 -6.918 -6.688 -4.541 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -8.283 -6.975 -7.191 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -7.657 -8.356 -6.313 1.00 0.00 H new ATOM 0 HG LEU A 32 -9.456 -6.475 -4.844 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -11.461 -7.612 -5.699 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -10.609 -6.708 -6.973 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -10.458 -8.479 -6.886 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -10.204 -8.559 -3.774 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -9.118 -9.487 -4.835 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -8.442 -8.339 -3.655 1.00 0.00 H new ATOM 470 N PHE A 33 -4.733 -7.404 -5.302 1.00 0.00 N ATOM 471 CA PHE A 33 -3.381 -7.773 -5.685 1.00 0.00 C ATOM 472 C PHE A 33 -3.004 -9.142 -5.116 1.00 0.00 C ATOM 473 O PHE A 33 -3.709 -9.679 -4.262 1.00 0.00 O ATOM 474 CB PHE A 33 -2.445 -6.715 -5.098 1.00 0.00 C ATOM 475 CG PHE A 33 -2.703 -5.299 -5.617 1.00 0.00 C ATOM 476 CD1 PHE A 33 -2.599 -5.032 -6.946 1.00 0.00 C ATOM 477 CD2 PHE A 33 -3.038 -4.307 -4.748 1.00 0.00 C ATOM 478 CE1 PHE A 33 -2.839 -3.717 -7.427 1.00 0.00 C ATOM 479 CE2 PHE A 33 -3.278 -2.993 -5.229 1.00 0.00 C ATOM 480 CZ PHE A 33 -3.173 -2.726 -6.559 1.00 0.00 C ATOM 0 H PHE A 33 -4.988 -7.652 -4.346 1.00 0.00 H new ATOM 0 HA PHE A 33 -3.304 -7.827 -6.771 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -2.546 -6.717 -4.013 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -1.415 -6.991 -5.323 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -2.334 -5.819 -7.636 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -3.121 -4.519 -3.692 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -2.756 -3.505 -8.483 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -3.544 -2.206 -4.539 1.00 0.00 H new ATOM 0 HZ PHE A 33 -3.355 -1.726 -6.925 1.00 0.00 H new ATOM 490 N SER A 34 -1.894 -9.668 -5.611 1.00 0.00 N ATOM 491 CA SER A 34 -1.415 -10.965 -5.162 1.00 0.00 C ATOM 492 C SER A 34 -0.115 -10.798 -4.372 1.00 0.00 C ATOM 493 O SER A 34 0.531 -9.754 -4.448 1.00 0.00 O ATOM 494 CB SER A 34 -1.200 -11.912 -6.345 1.00 0.00 C ATOM 495 OG SER A 34 -1.798 -13.186 -6.123 1.00 0.00 O ATOM 0 H SER A 34 -1.312 -9.220 -6.319 1.00 0.00 H new ATOM 0 HA SER A 34 -2.173 -11.404 -4.513 1.00 0.00 H new ATOM 0 HB2 SER A 34 -1.620 -11.467 -7.247 1.00 0.00 H new ATOM 0 HB3 SER A 34 -0.131 -12.038 -6.519 1.00 0.00 H new ATOM 0 HG SER A 34 -1.641 -13.761 -6.901 1.00 0.00 H new ATOM 501 N PRO A 35 0.238 -11.870 -3.613 1.00 0.00 N ATOM 502 CA PRO A 35 1.449 -11.852 -2.810 1.00 0.00 C ATOM 503 C PRO A 35 2.691 -12.020 -3.688 1.00 0.00 C ATOM 504 O PRO A 35 3.816 -11.912 -3.204 1.00 0.00 O ATOM 505 CB PRO A 35 1.272 -12.980 -1.808 1.00 0.00 C ATOM 506 CG PRO A 35 0.189 -13.880 -2.379 1.00 0.00 C ATOM 507 CD PRO A 35 -0.504 -13.122 -3.500 1.00 0.00 C ATOM 0 HA PRO A 35 1.601 -10.902 -2.297 1.00 0.00 H new ATOM 0 HB2 PRO A 35 2.203 -13.529 -1.670 1.00 0.00 H new ATOM 0 HB3 PRO A 35 0.983 -12.593 -0.831 1.00 0.00 H new ATOM 0 HG2 PRO A 35 0.622 -14.807 -2.756 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -0.527 -14.155 -1.604 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -0.478 -13.684 -4.434 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -1.553 -12.941 -3.266 1.00 0.00 H new ATOM 515 N ASN A 36 2.444 -12.282 -4.963 1.00 0.00 N ATOM 516 CA ASN A 36 3.529 -12.466 -5.912 1.00 0.00 C ATOM 517 C ASN A 36 3.792 -11.148 -6.641 1.00 0.00 C ATOM 518 O ASN A 36 4.870 -10.948 -7.200 1.00 0.00 O ATOM 519 CB ASN A 36 3.170 -13.522 -6.960 1.00 0.00 C ATOM 520 CG ASN A 36 3.155 -14.923 -6.344 1.00 0.00 C ATOM 521 OD1 ASN A 36 4.135 -15.399 -5.796 1.00 0.00 O ATOM 522 ND2 ASN A 36 1.990 -15.553 -6.463 1.00 0.00 N ATOM 0 H ASN A 36 1.509 -12.371 -5.361 1.00 0.00 H new ATOM 0 HA ASN A 36 4.410 -12.791 -5.358 1.00 0.00 H new ATOM 0 HB2 ASN A 36 2.192 -13.298 -7.387 1.00 0.00 H new ATOM 0 HB3 ASN A 36 3.890 -13.488 -7.777 1.00 0.00 H new ATOM 0 HD21 ASN A 36 1.877 -16.493 -6.083 1.00 0.00 H new ATOM 0 HD22 ASN A 36 1.209 -15.096 -6.934 1.00 0.00 H new ATOM 529 N ASP A 37 2.790 -10.282 -6.613 1.00 0.00 N ATOM 530 CA ASP A 37 2.900 -8.988 -7.264 1.00 0.00 C ATOM 531 C ASP A 37 3.798 -8.075 -6.427 1.00 0.00 C ATOM 532 O ASP A 37 3.753 -8.111 -5.198 1.00 0.00 O ATOM 533 CB ASP A 37 1.531 -8.317 -7.391 1.00 0.00 C ATOM 534 CG ASP A 37 0.622 -8.901 -8.475 1.00 0.00 C ATOM 535 OD1 ASP A 37 1.161 -9.630 -9.335 1.00 0.00 O ATOM 536 OD2 ASP A 37 -0.591 -8.605 -8.419 1.00 0.00 O ATOM 0 H ASP A 37 1.897 -10.451 -6.149 1.00 0.00 H new ATOM 0 HA ASP A 37 3.318 -9.146 -8.258 1.00 0.00 H new ATOM 0 HB2 ASP A 37 1.018 -8.387 -6.432 1.00 0.00 H new ATOM 0 HB3 ASP A 37 1.680 -7.257 -7.596 1.00 0.00 H new ATOM 541 N SER A 38 4.593 -7.278 -7.125 1.00 0.00 N ATOM 542 CA SER A 38 5.500 -6.357 -6.462 1.00 0.00 C ATOM 543 C SER A 38 4.873 -4.963 -6.393 1.00 0.00 C ATOM 544 O SER A 38 3.895 -4.683 -7.085 1.00 0.00 O ATOM 545 CB SER A 38 6.849 -6.298 -7.182 1.00 0.00 C ATOM 546 OG SER A 38 6.744 -5.681 -8.462 1.00 0.00 O ATOM 0 H SER A 38 4.628 -7.251 -8.144 1.00 0.00 H new ATOM 0 HA SER A 38 5.675 -6.720 -5.449 1.00 0.00 H new ATOM 0 HB2 SER A 38 7.562 -5.745 -6.571 1.00 0.00 H new ATOM 0 HB3 SER A 38 7.243 -7.308 -7.297 1.00 0.00 H new ATOM 0 HG SER A 38 7.626 -5.661 -8.889 1.00 0.00 H new ATOM 552 N ALA A 39 5.462 -4.125 -5.553 1.00 0.00 N ATOM 553 CA ALA A 39 4.973 -2.767 -5.385 1.00 0.00 C ATOM 554 C ALA A 39 4.765 -2.131 -6.761 1.00 0.00 C ATOM 555 O ALA A 39 3.764 -1.454 -6.991 1.00 0.00 O ATOM 556 CB ALA A 39 5.955 -1.974 -4.519 1.00 0.00 C ATOM 0 H ALA A 39 6.273 -4.360 -4.981 1.00 0.00 H new ATOM 0 HA ALA A 39 4.011 -2.766 -4.872 1.00 0.00 H new ATOM 0 HB1 ALA A 39 5.588 -0.955 -4.393 1.00 0.00 H new ATOM 0 HB2 ALA A 39 6.046 -2.450 -3.543 1.00 0.00 H new ATOM 0 HB3 ALA A 39 6.931 -1.951 -5.004 1.00 0.00 H new ATOM 562 N SER A 40 5.726 -2.371 -7.641 1.00 0.00 N ATOM 563 CA SER A 40 5.660 -1.830 -8.988 1.00 0.00 C ATOM 564 C SER A 40 4.344 -2.239 -9.652 1.00 0.00 C ATOM 565 O SER A 40 3.587 -1.386 -10.114 1.00 0.00 O ATOM 566 CB SER A 40 6.848 -2.302 -9.829 1.00 0.00 C ATOM 567 OG SER A 40 7.335 -1.275 -10.689 1.00 0.00 O ATOM 0 H SER A 40 6.555 -2.933 -7.447 1.00 0.00 H new ATOM 0 HA SER A 40 5.704 -0.743 -8.923 1.00 0.00 H new ATOM 0 HB2 SER A 40 7.650 -2.633 -9.170 1.00 0.00 H new ATOM 0 HB3 SER A 40 6.550 -3.164 -10.426 1.00 0.00 H new ATOM 0 HG SER A 40 8.094 -1.615 -11.208 1.00 0.00 H new ATOM 573 N ASP A 41 4.111 -3.543 -9.678 1.00 0.00 N ATOM 574 CA ASP A 41 2.899 -4.074 -10.278 1.00 0.00 C ATOM 575 C ASP A 41 1.692 -3.288 -9.762 1.00 0.00 C ATOM 576 O ASP A 41 0.784 -2.965 -10.526 1.00 0.00 O ATOM 577 CB ASP A 41 2.699 -5.545 -9.906 1.00 0.00 C ATOM 578 CG ASP A 41 2.811 -6.528 -11.073 1.00 0.00 C ATOM 579 OD1 ASP A 41 1.792 -6.687 -11.780 1.00 0.00 O ATOM 580 OD2 ASP A 41 3.912 -7.098 -11.233 1.00 0.00 O ATOM 0 H ASP A 41 4.741 -4.247 -9.293 1.00 0.00 H new ATOM 0 HA ASP A 41 2.992 -3.985 -11.360 1.00 0.00 H new ATOM 0 HB2 ASP A 41 3.436 -5.816 -9.150 1.00 0.00 H new ATOM 0 HB3 ASP A 41 1.716 -5.658 -9.448 1.00 0.00 H new ATOM 585 N ILE A 42 1.722 -3.003 -8.468 1.00 0.00 N ATOM 586 CA ILE A 42 0.642 -2.260 -7.841 1.00 0.00 C ATOM 587 C ILE A 42 0.586 -0.851 -8.433 1.00 0.00 C ATOM 588 O ILE A 42 -0.329 -0.527 -9.189 1.00 0.00 O ATOM 589 CB ILE A 42 0.790 -2.282 -6.318 1.00 0.00 C ATOM 590 CG1 ILE A 42 0.754 -3.716 -5.784 1.00 0.00 C ATOM 591 CG2 ILE A 42 -0.263 -1.395 -5.652 1.00 0.00 C ATOM 592 CD1 ILE A 42 1.059 -3.750 -4.285 1.00 0.00 C ATOM 0 H ILE A 42 2.477 -3.273 -7.837 1.00 0.00 H new ATOM 0 HA ILE A 42 -0.317 -2.732 -8.052 1.00 0.00 H new ATOM 0 HB ILE A 42 1.766 -1.869 -6.064 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -0.228 -4.152 -5.969 1.00 0.00 H new ATOM 0 HG13 ILE A 42 1.480 -4.326 -6.321 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -0.135 -1.429 -4.570 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -0.146 -0.368 -5.999 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -1.259 -1.755 -5.911 1.00 0.00 H new ATOM 0 HD11 ILE A 42 1.027 -4.780 -3.930 1.00 0.00 H new ATOM 0 HD12 ILE A 42 2.051 -3.335 -4.106 1.00 0.00 H new ATOM 0 HD13 ILE A 42 0.316 -3.159 -3.749 1.00 0.00 H new ATOM 604 N ALA A 43 1.576 -0.050 -8.067 1.00 0.00 N ATOM 605 CA ALA A 43 1.652 1.317 -8.553 1.00 0.00 C ATOM 606 C ALA A 43 1.347 1.339 -10.052 1.00 0.00 C ATOM 607 O ALA A 43 0.531 2.136 -10.512 1.00 0.00 O ATOM 608 CB ALA A 43 3.029 1.899 -8.230 1.00 0.00 C ATOM 0 H ALA A 43 2.333 -0.322 -7.439 1.00 0.00 H new ATOM 0 HA ALA A 43 0.910 1.942 -8.056 1.00 0.00 H new ATOM 0 HB1 ALA A 43 3.085 2.925 -8.595 1.00 0.00 H new ATOM 0 HB2 ALA A 43 3.184 1.889 -7.151 1.00 0.00 H new ATOM 0 HB3 ALA A 43 3.800 1.299 -8.713 1.00 0.00 H new ATOM 614 N LYS A 44 2.019 0.453 -10.773 1.00 0.00 N ATOM 615 CA LYS A 44 1.831 0.361 -12.211 1.00 0.00 C ATOM 616 C LYS A 44 0.369 0.022 -12.509 1.00 0.00 C ATOM 617 O LYS A 44 -0.280 0.701 -13.304 1.00 0.00 O ATOM 618 CB LYS A 44 2.827 -0.628 -12.819 1.00 0.00 C ATOM 619 CG LYS A 44 3.203 -0.221 -14.245 1.00 0.00 C ATOM 620 CD LYS A 44 4.716 -0.304 -14.458 1.00 0.00 C ATOM 621 CE LYS A 44 5.052 -0.481 -15.940 1.00 0.00 C ATOM 622 NZ LYS A 44 5.496 -1.867 -16.209 1.00 0.00 N ATOM 0 H LYS A 44 2.694 -0.207 -10.388 1.00 0.00 H new ATOM 0 HA LYS A 44 2.040 1.320 -12.685 1.00 0.00 H new ATOM 0 HB2 LYS A 44 3.724 -0.672 -12.201 1.00 0.00 H new ATOM 0 HB3 LYS A 44 2.394 -1.628 -12.825 1.00 0.00 H new ATOM 0 HG2 LYS A 44 2.696 -0.871 -14.958 1.00 0.00 H new ATOM 0 HG3 LYS A 44 2.860 0.795 -14.439 1.00 0.00 H new ATOM 0 HD2 LYS A 44 5.190 0.601 -14.080 1.00 0.00 H new ATOM 0 HD3 LYS A 44 5.122 -1.139 -13.887 1.00 0.00 H new ATOM 0 HE2 LYS A 44 4.177 -0.249 -16.547 1.00 0.00 H new ATOM 0 HE3 LYS A 44 5.835 0.220 -16.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 5.720 -1.970 -17.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 6.343 -2.076 -15.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 4.737 -2.530 -15.953 1.00 0.00 H new ATOM 636 N HIS A 45 -0.107 -1.027 -11.854 1.00 0.00 N ATOM 637 CA HIS A 45 -1.481 -1.464 -12.039 1.00 0.00 C ATOM 638 C HIS A 45 -2.411 -0.249 -12.034 1.00 0.00 C ATOM 639 O HIS A 45 -3.198 -0.061 -12.960 1.00 0.00 O ATOM 640 CB HIS A 45 -1.865 -2.508 -10.989 1.00 0.00 C ATOM 641 CG HIS A 45 -3.334 -2.854 -10.976 1.00 0.00 C ATOM 642 ND1 HIS A 45 -4.375 -2.296 -10.294 1.00 0.00 N flip ATOM 643 CD2 HIS A 45 -3.868 -3.886 -11.728 1.00 0.00 C flip ATOM 644 CE1 HIS A 45 -5.485 -2.950 -10.613 1.00 0.00 C flip ATOM 645 NE2 HIS A 45 -5.173 -3.937 -11.502 1.00 0.00 N flip ATOM 0 H HIS A 45 0.434 -1.587 -11.195 1.00 0.00 H new ATOM 0 HA HIS A 45 -1.583 -1.953 -13.008 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -1.290 -3.417 -11.168 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -1.580 -2.139 -10.004 1.00 0.00 H new ATOM 0 HD1 HIS A 45 -4.311 -1.509 -9.648 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -3.315 -4.539 -12.387 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -6.473 -2.736 -10.232 1.00 0.00 H new ATOM 653 N VAL A 46 -2.289 0.545 -10.980 1.00 0.00 N ATOM 654 CA VAL A 46 -3.109 1.737 -10.842 1.00 0.00 C ATOM 655 C VAL A 46 -2.932 2.618 -12.080 1.00 0.00 C ATOM 656 O VAL A 46 -3.909 3.123 -12.632 1.00 0.00 O ATOM 657 CB VAL A 46 -2.765 2.461 -9.539 1.00 0.00 C ATOM 658 CG1 VAL A 46 -3.656 3.688 -9.342 1.00 0.00 C ATOM 659 CG2 VAL A 46 -2.864 1.513 -8.342 1.00 0.00 C ATOM 0 H VAL A 46 -1.635 0.386 -10.214 1.00 0.00 H new ATOM 0 HA VAL A 46 -4.164 1.470 -10.781 1.00 0.00 H new ATOM 0 HB VAL A 46 -1.733 2.805 -9.609 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -3.391 4.184 -8.408 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -3.513 4.378 -10.173 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -4.700 3.377 -9.304 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -2.614 2.053 -7.429 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -3.880 1.125 -8.268 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -2.168 0.685 -8.475 1.00 0.00 H new ATOM 669 N TYR A 47 -1.679 2.777 -12.480 1.00 0.00 N ATOM 670 CA TYR A 47 -1.362 3.589 -13.643 1.00 0.00 C ATOM 671 C TYR A 47 -1.929 2.964 -14.919 1.00 0.00 C ATOM 672 O TYR A 47 -2.057 3.637 -15.941 1.00 0.00 O ATOM 673 CB TYR A 47 0.165 3.613 -13.737 1.00 0.00 C ATOM 674 CG TYR A 47 0.806 4.858 -13.120 1.00 0.00 C ATOM 675 CD1 TYR A 47 0.669 6.084 -13.739 1.00 0.00 C ATOM 676 CD2 TYR A 47 1.522 4.755 -11.945 1.00 0.00 C ATOM 677 CE1 TYR A 47 1.272 7.255 -13.159 1.00 0.00 C ATOM 678 CE2 TYR A 47 2.126 5.927 -11.365 1.00 0.00 C ATOM 679 CZ TYR A 47 1.971 7.119 -12.001 1.00 0.00 C ATOM 680 OH TYR A 47 2.541 8.226 -11.453 1.00 0.00 O ATOM 0 H TYR A 47 -0.871 2.357 -12.020 1.00 0.00 H new ATOM 0 HA TYR A 47 -1.791 4.586 -13.543 1.00 0.00 H new ATOM 0 HB2 TYR A 47 0.563 2.728 -13.241 1.00 0.00 H new ATOM 0 HB3 TYR A 47 0.455 3.549 -14.786 1.00 0.00 H new ATOM 0 HD1 TYR A 47 0.109 6.165 -14.659 1.00 0.00 H new ATOM 0 HD2 TYR A 47 1.630 3.796 -11.460 1.00 0.00 H new ATOM 0 HE1 TYR A 47 1.171 8.220 -13.633 1.00 0.00 H new ATOM 0 HE2 TYR A 47 2.689 5.861 -10.446 1.00 0.00 H new ATOM 0 HH TYR A 47 1.861 8.738 -10.967 1.00 0.00 H new ATOM 690 N ASP A 48 -2.253 1.683 -14.819 1.00 0.00 N ATOM 691 CA ASP A 48 -2.803 0.960 -15.953 1.00 0.00 C ATOM 692 C ASP A 48 -4.325 0.885 -15.815 1.00 0.00 C ATOM 693 O ASP A 48 -4.951 -0.054 -16.303 1.00 0.00 O ATOM 694 CB ASP A 48 -2.263 -0.471 -16.008 1.00 0.00 C ATOM 695 CG ASP A 48 -0.978 -0.646 -16.819 1.00 0.00 C ATOM 696 OD1 ASP A 48 -1.052 -0.447 -18.051 1.00 0.00 O ATOM 697 OD2 ASP A 48 0.050 -0.975 -16.189 1.00 0.00 O ATOM 0 H ASP A 48 -2.145 1.127 -13.970 1.00 0.00 H new ATOM 0 HA ASP A 48 -2.516 1.489 -16.862 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -2.082 -0.814 -14.989 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -3.032 -1.118 -16.430 1.00 0.00 H new ATOM 702 N ASN A 49 -4.877 1.888 -15.147 1.00 0.00 N ATOM 703 CA ASN A 49 -6.313 1.949 -14.939 1.00 0.00 C ATOM 704 C ASN A 49 -6.783 3.399 -15.070 1.00 0.00 C ATOM 705 O ASN A 49 -7.764 3.677 -15.758 1.00 0.00 O ATOM 706 CB ASN A 49 -6.688 1.455 -13.540 1.00 0.00 C ATOM 707 CG ASN A 49 -6.986 -0.046 -13.550 1.00 0.00 C ATOM 708 OD1 ASN A 49 -8.126 -0.479 -13.520 1.00 0.00 O ATOM 709 ND2 ASN A 49 -5.900 -0.812 -13.592 1.00 0.00 N ATOM 0 H ASN A 49 -4.354 2.665 -14.743 1.00 0.00 H new ATOM 0 HA ASN A 49 -6.789 1.314 -15.686 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -5.873 1.663 -12.846 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -7.560 2.000 -13.180 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -5.992 -1.828 -13.601 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -4.975 -0.384 -13.616 1.00 0.00 H new ATOM 716 N TRP A 50 -6.061 4.284 -14.400 1.00 0.00 N ATOM 717 CA TRP A 50 -6.391 5.699 -14.433 1.00 0.00 C ATOM 718 C TRP A 50 -5.654 6.329 -15.616 1.00 0.00 C ATOM 719 O TRP A 50 -4.652 5.791 -16.085 1.00 0.00 O ATOM 720 CB TRP A 50 -6.063 6.370 -13.098 1.00 0.00 C ATOM 721 CG TRP A 50 -6.474 5.551 -11.872 1.00 0.00 C ATOM 722 CD1 TRP A 50 -7.332 4.524 -11.816 1.00 0.00 C ATOM 723 CD2 TRP A 50 -6.005 5.735 -10.519 1.00 0.00 C ATOM 724 NE1 TRP A 50 -7.451 4.034 -10.531 1.00 0.00 N ATOM 725 CE2 TRP A 50 -6.618 4.793 -9.718 1.00 0.00 C ATOM 726 CE3 TRP A 50 -5.093 6.665 -9.990 1.00 0.00 C ATOM 727 CZ2 TRP A 50 -6.387 4.691 -8.341 1.00 0.00 C ATOM 728 CZ3 TRP A 50 -4.872 6.549 -8.613 1.00 0.00 C ATOM 729 CH2 TRP A 50 -5.482 5.607 -7.792 1.00 0.00 C ATOM 0 H TRP A 50 -5.248 4.049 -13.831 1.00 0.00 H new ATOM 0 HA TRP A 50 -7.462 5.842 -14.575 1.00 0.00 H new ATOM 0 HB2 TRP A 50 -4.991 6.560 -13.052 1.00 0.00 H new ATOM 0 HB3 TRP A 50 -6.560 7.339 -13.058 1.00 0.00 H new ATOM 0 HD1 TRP A 50 -7.864 4.129 -12.669 1.00 0.00 H new ATOM 0 HE1 TRP A 50 -8.042 3.258 -10.233 1.00 0.00 H new ATOM 0 HE3 TRP A 50 -4.602 7.410 -10.598 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 -6.880 3.946 -7.735 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 -4.179 7.240 -8.156 1.00 0.00 H new ATOM 0 HH2 TRP A 50 -5.259 5.582 -6.736 1.00 0.00 H new ATOM 740 N PRO A 51 -6.192 7.490 -16.076 1.00 0.00 N ATOM 741 CA PRO A 51 -5.596 8.199 -17.195 1.00 0.00 C ATOM 742 C PRO A 51 -4.316 8.921 -16.769 1.00 0.00 C ATOM 743 O PRO A 51 -3.793 8.675 -15.683 1.00 0.00 O ATOM 744 CB PRO A 51 -6.679 9.148 -17.682 1.00 0.00 C ATOM 745 CG PRO A 51 -7.671 9.270 -16.537 1.00 0.00 C ATOM 746 CD PRO A 51 -7.378 8.156 -15.545 1.00 0.00 C ATOM 0 HA PRO A 51 -5.281 7.530 -17.996 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -6.259 10.120 -17.940 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -7.163 8.761 -18.579 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -7.580 10.244 -16.055 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -8.693 9.192 -16.908 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -7.196 8.553 -14.546 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -8.218 7.466 -15.465 1.00 0.00 H new ATOM 754 N MET A 52 -3.849 9.798 -17.645 1.00 0.00 N ATOM 755 CA MET A 52 -2.641 10.557 -17.373 1.00 0.00 C ATOM 756 C MET A 52 -2.624 11.062 -15.928 1.00 0.00 C ATOM 757 O MET A 52 -1.790 10.639 -15.129 1.00 0.00 O ATOM 758 CB MET A 52 -2.559 11.748 -18.330 1.00 0.00 C ATOM 759 CG MET A 52 -1.125 11.961 -18.819 1.00 0.00 C ATOM 760 SD MET A 52 -0.909 13.647 -19.364 1.00 0.00 S ATOM 761 CE MET A 52 -1.951 13.640 -20.813 1.00 0.00 C ATOM 0 H MET A 52 -4.286 10.000 -18.544 1.00 0.00 H new ATOM 0 HA MET A 52 -1.783 9.902 -17.520 1.00 0.00 H new ATOM 0 HB2 MET A 52 -3.217 11.580 -19.183 1.00 0.00 H new ATOM 0 HB3 MET A 52 -2.913 12.648 -17.827 1.00 0.00 H new ATOM 0 HG2 MET A 52 -0.422 11.737 -18.017 1.00 0.00 H new ATOM 0 HG3 MET A 52 -0.905 11.275 -19.637 1.00 0.00 H new ATOM 0 HE1 MET A 52 -1.796 14.560 -21.377 1.00 0.00 H new ATOM 0 HE2 MET A 52 -1.699 12.784 -21.438 1.00 0.00 H new ATOM 0 HE3 MET A 52 -2.996 13.573 -20.510 1.00 0.00 H new ATOM 771 N ASP A 53 -3.555 11.958 -15.637 1.00 0.00 N ATOM 772 CA ASP A 53 -3.658 12.524 -14.303 1.00 0.00 C ATOM 773 C ASP A 53 -2.318 13.152 -13.915 1.00 0.00 C ATOM 774 O ASP A 53 -1.350 13.072 -14.670 1.00 0.00 O ATOM 775 CB ASP A 53 -3.991 11.445 -13.271 1.00 0.00 C ATOM 776 CG ASP A 53 -5.482 11.149 -13.102 1.00 0.00 C ATOM 777 OD1 ASP A 53 -6.282 12.030 -13.484 1.00 0.00 O ATOM 778 OD2 ASP A 53 -5.789 10.048 -12.595 1.00 0.00 O ATOM 0 H ASP A 53 -4.245 12.306 -16.302 1.00 0.00 H new ATOM 0 HA ASP A 53 -4.453 13.270 -14.314 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -3.483 10.523 -13.555 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -3.585 11.749 -12.306 1.00 0.00 H new ATOM 783 N TRP A 54 -2.305 13.762 -12.739 1.00 0.00 N ATOM 784 CA TRP A 54 -1.099 14.403 -12.242 1.00 0.00 C ATOM 785 C TRP A 54 -0.634 15.413 -13.293 1.00 0.00 C ATOM 786 O TRP A 54 -1.193 15.479 -14.387 1.00 0.00 O ATOM 787 CB TRP A 54 -0.030 13.366 -11.895 1.00 0.00 C ATOM 788 CG TRP A 54 -0.161 12.783 -10.486 1.00 0.00 C ATOM 789 CD1 TRP A 54 -0.117 13.436 -9.317 1.00 0.00 C ATOM 790 CD2 TRP A 54 -0.362 11.396 -10.145 1.00 0.00 C ATOM 791 NE1 TRP A 54 -0.274 12.574 -8.251 1.00 0.00 N ATOM 792 CE2 TRP A 54 -0.427 11.294 -8.770 1.00 0.00 C ATOM 793 CE3 TRP A 54 -0.484 10.264 -10.970 1.00 0.00 C ATOM 794 CZ2 TRP A 54 -0.616 10.079 -8.100 1.00 0.00 C ATOM 795 CZ3 TRP A 54 -0.672 9.058 -10.285 1.00 0.00 C ATOM 796 CH2 TRP A 54 -0.740 8.938 -8.902 1.00 0.00 C ATOM 0 H TRP A 54 -3.110 13.826 -12.116 1.00 0.00 H new ATOM 0 HA TRP A 54 -1.300 14.935 -11.312 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -0.079 12.553 -12.619 1.00 0.00 H new ATOM 0 HB3 TRP A 54 0.953 13.825 -11.997 1.00 0.00 H new ATOM 0 HD1 TRP A 54 0.024 14.503 -9.221 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -0.277 12.829 -7.263 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -0.436 10.321 -12.047 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -0.664 10.025 -7.022 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -0.771 8.157 -10.872 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -0.888 7.969 -8.448 1.00 0.00 H new ATOM 807 N GLU A 55 0.386 16.175 -12.924 1.00 0.00 N ATOM 808 CA GLU A 55 0.933 17.179 -13.821 1.00 0.00 C ATOM 809 C GLU A 55 2.211 16.659 -14.482 1.00 0.00 C ATOM 810 O GLU A 55 3.252 17.312 -14.427 1.00 0.00 O ATOM 811 CB GLU A 55 1.193 18.492 -13.081 1.00 0.00 C ATOM 812 CG GLU A 55 -0.097 19.300 -12.928 1.00 0.00 C ATOM 813 CD GLU A 55 -0.686 19.657 -14.294 1.00 0.00 C ATOM 814 OE1 GLU A 55 0.124 19.914 -15.211 1.00 0.00 O ATOM 815 OE2 GLU A 55 -1.932 19.666 -14.390 1.00 0.00 O ATOM 0 H GLU A 55 0.848 16.117 -12.016 1.00 0.00 H new ATOM 0 HA GLU A 55 0.199 17.380 -14.602 1.00 0.00 H new ATOM 0 HB2 GLU A 55 1.614 18.282 -12.098 1.00 0.00 H new ATOM 0 HB3 GLU A 55 1.932 19.080 -13.625 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -0.824 18.726 -12.353 1.00 0.00 H new ATOM 0 HG3 GLU A 55 0.105 20.212 -12.366 1.00 0.00 H new ATOM 822 N GLU A 56 2.091 15.489 -15.092 1.00 0.00 N ATOM 823 CA GLU A 56 3.224 14.875 -15.763 1.00 0.00 C ATOM 824 C GLU A 56 3.552 15.633 -17.051 1.00 0.00 C ATOM 825 O GLU A 56 2.718 16.372 -17.571 1.00 0.00 O ATOM 826 CB GLU A 56 2.955 13.396 -16.050 1.00 0.00 C ATOM 827 CG GLU A 56 4.094 12.520 -15.526 1.00 0.00 C ATOM 828 CD GLU A 56 4.028 12.387 -14.003 1.00 0.00 C ATOM 829 OE1 GLU A 56 2.940 12.014 -13.513 1.00 0.00 O ATOM 830 OE2 GLU A 56 5.066 12.660 -13.363 1.00 0.00 O ATOM 0 H GLU A 56 1.226 14.950 -15.136 1.00 0.00 H new ATOM 0 HA GLU A 56 4.088 14.931 -15.101 1.00 0.00 H new ATOM 0 HB2 GLU A 56 2.017 13.096 -15.583 1.00 0.00 H new ATOM 0 HB3 GLU A 56 2.840 13.245 -17.123 1.00 0.00 H new ATOM 0 HG2 GLU A 56 4.038 11.532 -15.984 1.00 0.00 H new ATOM 0 HG3 GLU A 56 5.052 12.951 -15.816 1.00 0.00 H new ATOM 837 N GLU A 57 4.770 15.423 -17.529 1.00 0.00 N ATOM 838 CA GLU A 57 5.219 16.077 -18.746 1.00 0.00 C ATOM 839 C GLU A 57 5.322 15.062 -19.887 1.00 0.00 C ATOM 840 O GLU A 57 4.735 15.258 -20.951 1.00 0.00 O ATOM 841 CB GLU A 57 6.555 16.789 -18.525 1.00 0.00 C ATOM 842 CG GLU A 57 6.960 17.592 -19.763 1.00 0.00 C ATOM 843 CD GLU A 57 8.465 17.485 -20.018 1.00 0.00 C ATOM 844 OE1 GLU A 57 9.219 18.095 -19.229 1.00 0.00 O ATOM 845 OE2 GLU A 57 8.827 16.796 -20.996 1.00 0.00 O ATOM 0 H GLU A 57 5.460 14.809 -17.095 1.00 0.00 H new ATOM 0 HA GLU A 57 4.483 16.832 -19.022 1.00 0.00 H new ATOM 0 HB2 GLU A 57 6.479 17.454 -17.665 1.00 0.00 H new ATOM 0 HB3 GLU A 57 7.328 16.056 -18.294 1.00 0.00 H new ATOM 0 HG2 GLU A 57 6.413 17.227 -20.632 1.00 0.00 H new ATOM 0 HG3 GLU A 57 6.684 18.638 -19.629 1.00 0.00 H new ATOM 852 N GLN A 58 6.070 14.000 -19.627 1.00 0.00 N ATOM 853 CA GLN A 58 6.257 12.955 -20.619 1.00 0.00 C ATOM 854 C GLN A 58 7.111 11.824 -20.043 1.00 0.00 C ATOM 855 O GLN A 58 6.867 10.652 -20.325 1.00 0.00 O ATOM 856 CB GLN A 58 6.880 13.517 -21.898 1.00 0.00 C ATOM 857 CG GLN A 58 6.780 12.511 -23.045 1.00 0.00 C ATOM 858 CD GLN A 58 6.456 13.214 -24.365 1.00 0.00 C ATOM 859 OE1 GLN A 58 6.355 14.427 -24.443 1.00 0.00 O ATOM 860 NE2 GLN A 58 6.299 12.387 -25.395 1.00 0.00 N ATOM 0 H GLN A 58 6.554 13.841 -18.743 1.00 0.00 H new ATOM 0 HA GLN A 58 5.279 12.549 -20.880 1.00 0.00 H new ATOM 0 HB2 GLN A 58 6.375 14.442 -22.176 1.00 0.00 H new ATOM 0 HB3 GLN A 58 7.926 13.766 -21.718 1.00 0.00 H new ATOM 0 HG2 GLN A 58 7.720 11.968 -23.140 1.00 0.00 H new ATOM 0 HG3 GLN A 58 6.007 11.775 -22.822 1.00 0.00 H new ATOM 0 HE21 GLN A 58 6.397 11.381 -25.261 1.00 0.00 H new ATOM 0 HE22 GLN A 58 6.080 12.759 -26.319 1.00 0.00 H new ATOM 869 N VAL A 59 8.096 12.215 -19.248 1.00 0.00 N ATOM 870 CA VAL A 59 8.988 11.249 -18.631 1.00 0.00 C ATOM 871 C VAL A 59 8.180 10.030 -18.181 1.00 0.00 C ATOM 872 O VAL A 59 8.495 8.900 -18.553 1.00 0.00 O ATOM 873 CB VAL A 59 9.763 11.907 -17.487 1.00 0.00 C ATOM 874 CG1 VAL A 59 10.857 12.830 -18.027 1.00 0.00 C ATOM 875 CG2 VAL A 59 8.819 12.665 -16.551 1.00 0.00 C ATOM 0 H VAL A 59 8.296 13.188 -19.017 1.00 0.00 H new ATOM 0 HA VAL A 59 9.729 10.901 -19.350 1.00 0.00 H new ATOM 0 HB VAL A 59 10.245 11.118 -16.910 1.00 0.00 H new ATOM 0 HG11 VAL A 59 11.393 13.285 -17.194 1.00 0.00 H new ATOM 0 HG12 VAL A 59 11.554 12.252 -18.634 1.00 0.00 H new ATOM 0 HG13 VAL A 59 10.405 13.611 -18.638 1.00 0.00 H new ATOM 0 HG21 VAL A 59 9.395 13.123 -15.747 1.00 0.00 H new ATOM 0 HG22 VAL A 59 8.297 13.441 -17.111 1.00 0.00 H new ATOM 0 HG23 VAL A 59 8.092 11.972 -16.128 1.00 0.00 H new ATOM 885 N SER A 60 7.154 10.299 -17.387 1.00 0.00 N ATOM 886 CA SER A 60 6.299 9.239 -16.882 1.00 0.00 C ATOM 887 C SER A 60 7.151 8.056 -16.417 1.00 0.00 C ATOM 888 O SER A 60 6.723 6.906 -16.503 1.00 0.00 O ATOM 889 CB SER A 60 5.298 8.785 -17.947 1.00 0.00 C ATOM 890 OG SER A 60 3.951 9.021 -17.548 1.00 0.00 O ATOM 0 H SER A 60 6.896 11.237 -17.081 1.00 0.00 H new ATOM 0 HA SER A 60 5.736 9.629 -16.034 1.00 0.00 H new ATOM 0 HB2 SER A 60 5.497 9.312 -18.880 1.00 0.00 H new ATOM 0 HB3 SER A 60 5.437 7.722 -18.145 1.00 0.00 H new ATOM 0 HG SER A 60 3.343 8.719 -18.255 1.00 0.00 H new ATOM 896 N SER A 61 8.342 8.380 -15.934 1.00 0.00 N ATOM 897 CA SER A 61 9.258 7.358 -15.455 1.00 0.00 C ATOM 898 C SER A 61 8.746 6.774 -14.136 1.00 0.00 C ATOM 899 O SER A 61 8.137 7.480 -13.335 1.00 0.00 O ATOM 900 CB SER A 61 10.667 7.924 -15.273 1.00 0.00 C ATOM 901 OG SER A 61 11.329 8.120 -16.520 1.00 0.00 O ATOM 0 H SER A 61 8.694 9.335 -15.864 1.00 0.00 H new ATOM 0 HA SER A 61 9.308 6.565 -16.201 1.00 0.00 H new ATOM 0 HB2 SER A 61 10.610 8.873 -14.740 1.00 0.00 H new ATOM 0 HB3 SER A 61 11.253 7.245 -14.654 1.00 0.00 H new ATOM 0 HG SER A 61 12.225 8.484 -16.361 1.00 0.00 H new ATOM 907 N PRO A 62 9.020 5.455 -13.948 1.00 0.00 N ATOM 908 CA PRO A 62 8.595 4.768 -12.740 1.00 0.00 C ATOM 909 C PRO A 62 9.473 5.157 -11.550 1.00 0.00 C ATOM 910 O PRO A 62 9.064 5.014 -10.399 1.00 0.00 O ATOM 911 CB PRO A 62 8.676 3.289 -13.081 1.00 0.00 C ATOM 912 CG PRO A 62 9.581 3.190 -14.298 1.00 0.00 C ATOM 913 CD PRO A 62 9.740 4.587 -14.875 1.00 0.00 C ATOM 0 HA PRO A 62 7.584 5.038 -12.435 1.00 0.00 H new ATOM 0 HB2 PRO A 62 9.081 2.717 -12.246 1.00 0.00 H new ATOM 0 HB3 PRO A 62 7.687 2.883 -13.296 1.00 0.00 H new ATOM 0 HG2 PRO A 62 10.551 2.779 -14.020 1.00 0.00 H new ATOM 0 HG3 PRO A 62 9.151 2.517 -15.040 1.00 0.00 H new ATOM 0 HD2 PRO A 62 10.791 4.869 -14.946 1.00 0.00 H new ATOM 0 HD3 PRO A 62 9.324 4.650 -15.881 1.00 0.00 H new ATOM 921 N ASN A 63 10.665 5.641 -11.867 1.00 0.00 N ATOM 922 CA ASN A 63 11.605 6.051 -10.838 1.00 0.00 C ATOM 923 C ASN A 63 10.961 7.131 -9.967 1.00 0.00 C ATOM 924 O ASN A 63 11.166 7.160 -8.754 1.00 0.00 O ATOM 925 CB ASN A 63 12.876 6.637 -11.455 1.00 0.00 C ATOM 926 CG ASN A 63 13.659 5.567 -12.219 1.00 0.00 C ATOM 927 OD1 ASN A 63 14.356 4.745 -11.648 1.00 0.00 O ATOM 928 ND2 ASN A 63 13.504 5.623 -13.539 1.00 0.00 N ATOM 0 H ASN A 63 11.001 5.758 -12.823 1.00 0.00 H new ATOM 0 HA ASN A 63 11.863 5.172 -10.247 1.00 0.00 H new ATOM 0 HB2 ASN A 63 12.614 7.452 -12.130 1.00 0.00 H new ATOM 0 HB3 ASN A 63 13.503 7.061 -10.671 1.00 0.00 H new ATOM 0 HD21 ASN A 63 13.984 4.951 -14.138 1.00 0.00 H new ATOM 0 HD22 ASN A 63 12.905 6.338 -13.952 1.00 0.00 H new ATOM 935 N ILE A 64 10.194 7.993 -10.619 1.00 0.00 N ATOM 936 CA ILE A 64 9.519 9.072 -9.919 1.00 0.00 C ATOM 937 C ILE A 64 8.126 8.604 -9.491 1.00 0.00 C ATOM 938 O ILE A 64 7.119 9.102 -9.993 1.00 0.00 O ATOM 939 CB ILE A 64 9.506 10.341 -10.774 1.00 0.00 C ATOM 940 CG1 ILE A 64 9.013 10.041 -12.191 1.00 0.00 C ATOM 941 CG2 ILE A 64 10.879 11.015 -10.776 1.00 0.00 C ATOM 942 CD1 ILE A 64 8.632 11.329 -12.923 1.00 0.00 C ATOM 0 H ILE A 64 10.025 7.966 -11.625 1.00 0.00 H new ATOM 0 HA ILE A 64 10.061 9.334 -9.010 1.00 0.00 H new ATOM 0 HB ILE A 64 8.803 11.045 -10.330 1.00 0.00 H new ATOM 0 HG12 ILE A 64 9.791 9.519 -12.748 1.00 0.00 H new ATOM 0 HG13 ILE A 64 8.151 9.375 -12.147 1.00 0.00 H new ATOM 0 HG21 ILE A 64 10.842 11.914 -11.391 1.00 0.00 H new ATOM 0 HG22 ILE A 64 11.154 11.284 -9.756 1.00 0.00 H new ATOM 0 HG23 ILE A 64 11.621 10.328 -11.182 1.00 0.00 H new ATOM 0 HD11 ILE A 64 8.285 11.087 -13.928 1.00 0.00 H new ATOM 0 HD12 ILE A 64 7.837 11.836 -12.377 1.00 0.00 H new ATOM 0 HD13 ILE A 64 9.502 11.982 -12.987 1.00 0.00 H new ATOM 954 N LEU A 65 8.113 7.653 -8.569 1.00 0.00 N ATOM 955 CA LEU A 65 6.861 7.113 -8.069 1.00 0.00 C ATOM 956 C LEU A 65 7.157 6.014 -7.046 1.00 0.00 C ATOM 957 O LEU A 65 8.006 5.155 -7.281 1.00 0.00 O ATOM 958 CB LEU A 65 5.975 6.652 -9.228 1.00 0.00 C ATOM 959 CG LEU A 65 5.686 5.151 -9.295 1.00 0.00 C ATOM 960 CD1 LEU A 65 4.617 4.752 -8.276 1.00 0.00 C ATOM 961 CD2 LEU A 65 5.309 4.729 -10.717 1.00 0.00 C ATOM 0 H LEU A 65 8.950 7.243 -8.155 1.00 0.00 H new ATOM 0 HA LEU A 65 6.292 7.886 -7.552 1.00 0.00 H new ATOM 0 HB2 LEU A 65 5.025 7.182 -9.166 1.00 0.00 H new ATOM 0 HB3 LEU A 65 6.448 6.953 -10.163 1.00 0.00 H new ATOM 0 HG LEU A 65 6.598 4.615 -9.031 1.00 0.00 H new ATOM 0 HD11 LEU A 65 4.431 3.680 -8.345 1.00 0.00 H new ATOM 0 HD12 LEU A 65 4.963 4.996 -7.272 1.00 0.00 H new ATOM 0 HD13 LEU A 65 3.695 5.295 -8.485 1.00 0.00 H new ATOM 0 HD21 LEU A 65 5.109 3.658 -10.738 1.00 0.00 H new ATOM 0 HD22 LEU A 65 4.418 5.271 -11.033 1.00 0.00 H new ATOM 0 HD23 LEU A 65 6.132 4.957 -11.394 1.00 0.00 H new ATOM 973 N ARG A 66 6.440 6.076 -5.934 1.00 0.00 N ATOM 974 CA ARG A 66 6.615 5.097 -4.875 1.00 0.00 C ATOM 975 C ARG A 66 5.286 4.844 -4.160 1.00 0.00 C ATOM 976 O ARG A 66 4.353 5.636 -4.280 1.00 0.00 O ATOM 977 CB ARG A 66 7.654 5.568 -3.855 1.00 0.00 C ATOM 978 CG ARG A 66 8.879 4.653 -3.857 1.00 0.00 C ATOM 979 CD ARG A 66 9.769 4.925 -2.642 1.00 0.00 C ATOM 980 NE ARG A 66 11.044 5.540 -3.076 1.00 0.00 N ATOM 981 CZ ARG A 66 12.033 4.869 -3.682 1.00 0.00 C ATOM 982 NH1 ARG A 66 11.901 3.559 -3.929 1.00 0.00 N ATOM 983 NH2 ARG A 66 13.155 5.509 -4.041 1.00 0.00 N ATOM 0 H ARG A 66 5.736 6.789 -5.743 1.00 0.00 H new ATOM 0 HA ARG A 66 6.966 4.173 -5.333 1.00 0.00 H new ATOM 0 HB2 ARG A 66 7.958 6.589 -4.086 1.00 0.00 H new ATOM 0 HB3 ARG A 66 7.210 5.585 -2.860 1.00 0.00 H new ATOM 0 HG2 ARG A 66 8.559 3.611 -3.852 1.00 0.00 H new ATOM 0 HG3 ARG A 66 9.450 4.806 -4.772 1.00 0.00 H new ATOM 0 HD2 ARG A 66 9.255 5.587 -1.945 1.00 0.00 H new ATOM 0 HD3 ARG A 66 9.967 3.994 -2.110 1.00 0.00 H new ATOM 0 HE ARG A 66 11.178 6.536 -2.903 1.00 0.00 H new ATOM 0 HH11 ARG A 66 11.047 3.072 -3.656 1.00 0.00 H new ATOM 0 HH12 ARG A 66 12.654 3.049 -4.390 1.00 0.00 H new ATOM 0 HH21 ARG A 66 13.256 6.506 -3.853 1.00 0.00 H new ATOM 0 HH22 ARG A 66 13.908 4.998 -4.502 1.00 0.00 H new ATOM 997 N LEU A 67 5.243 3.738 -3.433 1.00 0.00 N ATOM 998 CA LEU A 67 4.044 3.371 -2.699 1.00 0.00 C ATOM 999 C LEU A 67 4.281 3.586 -1.202 1.00 0.00 C ATOM 1000 O LEU A 67 5.315 3.185 -0.670 1.00 0.00 O ATOM 1001 CB LEU A 67 3.613 1.946 -3.054 1.00 0.00 C ATOM 1002 CG LEU A 67 3.285 1.031 -1.873 1.00 0.00 C ATOM 1003 CD1 LEU A 67 1.991 1.467 -1.184 1.00 0.00 C ATOM 1004 CD2 LEU A 67 3.234 -0.434 -2.312 1.00 0.00 C ATOM 0 H LEU A 67 6.019 3.084 -3.336 1.00 0.00 H new ATOM 0 HA LEU A 67 3.211 4.013 -2.986 1.00 0.00 H new ATOM 0 HB2 LEU A 67 2.736 2.003 -3.699 1.00 0.00 H new ATOM 0 HB3 LEU A 67 4.408 1.482 -3.638 1.00 0.00 H new ATOM 0 HG LEU A 67 4.086 1.120 -1.140 1.00 0.00 H new ATOM 0 HD11 LEU A 67 1.781 0.800 -0.348 1.00 0.00 H new ATOM 0 HD12 LEU A 67 2.101 2.487 -0.815 1.00 0.00 H new ATOM 0 HD13 LEU A 67 1.167 1.426 -1.897 1.00 0.00 H new ATOM 0 HD21 LEU A 67 2.999 -1.063 -1.453 1.00 0.00 H new ATOM 0 HD22 LEU A 67 2.465 -0.559 -3.075 1.00 0.00 H new ATOM 0 HD23 LEU A 67 4.201 -0.725 -2.721 1.00 0.00 H new ATOM 1016 N ILE A 68 3.306 4.220 -0.567 1.00 0.00 N ATOM 1017 CA ILE A 68 3.396 4.494 0.857 1.00 0.00 C ATOM 1018 C ILE A 68 2.508 3.508 1.619 1.00 0.00 C ATOM 1019 O ILE A 68 1.389 3.221 1.196 1.00 0.00 O ATOM 1020 CB ILE A 68 3.070 5.962 1.142 1.00 0.00 C ATOM 1021 CG1 ILE A 68 4.126 6.886 0.532 1.00 0.00 C ATOM 1022 CG2 ILE A 68 2.896 6.203 2.643 1.00 0.00 C ATOM 1023 CD1 ILE A 68 3.644 7.465 -0.800 1.00 0.00 C ATOM 0 H ILE A 68 2.450 4.552 -1.012 1.00 0.00 H new ATOM 0 HA ILE A 68 4.416 4.343 1.210 1.00 0.00 H new ATOM 0 HB ILE A 68 2.119 6.200 0.665 1.00 0.00 H new ATOM 0 HG12 ILE A 68 4.349 7.697 1.226 1.00 0.00 H new ATOM 0 HG13 ILE A 68 5.053 6.333 0.378 1.00 0.00 H new ATOM 0 HG21 ILE A 68 2.665 7.254 2.818 1.00 0.00 H new ATOM 0 HG22 ILE A 68 2.081 5.585 3.019 1.00 0.00 H new ATOM 0 HG23 ILE A 68 3.818 5.943 3.163 1.00 0.00 H new ATOM 0 HD11 ILE A 68 4.413 8.118 -1.212 1.00 0.00 H new ATOM 0 HD12 ILE A 68 3.445 6.653 -1.499 1.00 0.00 H new ATOM 0 HD13 ILE A 68 2.730 8.037 -0.639 1.00 0.00 H new ATOM 1035 N TYR A 69 3.040 3.016 2.728 1.00 0.00 N ATOM 1036 CA TYR A 69 2.309 2.068 3.552 1.00 0.00 C ATOM 1037 C TYR A 69 2.366 2.468 5.028 1.00 0.00 C ATOM 1038 O TYR A 69 3.436 2.468 5.634 1.00 0.00 O ATOM 1039 CB TYR A 69 3.015 0.723 3.373 1.00 0.00 C ATOM 1040 CG TYR A 69 2.401 -0.415 4.191 1.00 0.00 C ATOM 1041 CD1 TYR A 69 1.051 -0.407 4.480 1.00 0.00 C ATOM 1042 CD2 TYR A 69 3.196 -1.450 4.639 1.00 0.00 C ATOM 1043 CE1 TYR A 69 0.473 -1.478 5.250 1.00 0.00 C ATOM 1044 CE2 TYR A 69 2.618 -2.522 5.408 1.00 0.00 C ATOM 1045 CZ TYR A 69 1.285 -2.483 5.676 1.00 0.00 C ATOM 1046 OH TYR A 69 0.739 -3.494 6.403 1.00 0.00 O ATOM 0 H TYR A 69 3.969 3.256 3.075 1.00 0.00 H new ATOM 0 HA TYR A 69 1.260 2.032 3.258 1.00 0.00 H new ATOM 0 HB2 TYR A 69 2.994 0.451 2.318 1.00 0.00 H new ATOM 0 HB3 TYR A 69 4.063 0.834 3.653 1.00 0.00 H new ATOM 0 HD1 TYR A 69 0.428 0.402 4.129 1.00 0.00 H new ATOM 0 HD2 TYR A 69 4.252 -1.456 4.413 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -0.581 -1.483 5.484 1.00 0.00 H new ATOM 0 HE2 TYR A 69 3.229 -3.338 5.764 1.00 0.00 H new ATOM 0 HH TYR A 69 -0.196 -3.621 6.137 1.00 0.00 H new ATOM 1056 N GLN A 70 1.200 2.798 5.564 1.00 0.00 N ATOM 1057 CA GLN A 70 1.103 3.199 6.957 1.00 0.00 C ATOM 1058 C GLN A 70 1.993 4.415 7.223 1.00 0.00 C ATOM 1059 O GLN A 70 2.496 4.590 8.331 1.00 0.00 O ATOM 1060 CB GLN A 70 1.467 2.040 7.887 1.00 0.00 C ATOM 1061 CG GLN A 70 0.230 1.210 8.239 1.00 0.00 C ATOM 1062 CD GLN A 70 0.026 1.145 9.754 1.00 0.00 C ATOM 1063 OE1 GLN A 70 -0.618 1.988 10.356 1.00 0.00 O ATOM 1064 NE2 GLN A 70 0.610 0.100 10.334 1.00 0.00 N ATOM 0 H GLN A 70 0.314 2.796 5.058 1.00 0.00 H new ATOM 0 HA GLN A 70 0.070 3.478 7.164 1.00 0.00 H new ATOM 0 HB2 GLN A 70 2.211 1.404 7.408 1.00 0.00 H new ATOM 0 HB3 GLN A 70 1.920 2.429 8.799 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -0.651 1.646 7.768 1.00 0.00 H new ATOM 0 HG3 GLN A 70 0.339 0.202 7.840 1.00 0.00 H new ATOM 0 HE21 GLN A 70 1.135 -0.569 9.770 1.00 0.00 H new ATOM 0 HE22 GLN A 70 0.533 -0.033 11.342 1.00 0.00 H new ATOM 1073 N GLY A 71 2.159 5.224 6.187 1.00 0.00 N ATOM 1074 CA GLY A 71 2.980 6.418 6.294 1.00 0.00 C ATOM 1075 C GLY A 71 4.377 6.178 5.720 1.00 0.00 C ATOM 1076 O GLY A 71 4.986 7.086 5.158 1.00 0.00 O ATOM 0 H GLY A 71 1.739 5.076 5.269 1.00 0.00 H new ATOM 0 HA2 GLY A 71 2.502 7.241 5.763 1.00 0.00 H new ATOM 0 HA3 GLY A 71 3.059 6.716 7.339 1.00 0.00 H new ATOM 1080 N ARG A 72 4.845 4.949 5.882 1.00 0.00 N ATOM 1081 CA ARG A 72 6.159 4.577 5.387 1.00 0.00 C ATOM 1082 C ARG A 72 6.104 4.313 3.881 1.00 0.00 C ATOM 1083 O ARG A 72 5.042 4.411 3.268 1.00 0.00 O ATOM 1084 CB ARG A 72 6.683 3.327 6.098 1.00 0.00 C ATOM 1085 CG ARG A 72 7.262 3.678 7.469 1.00 0.00 C ATOM 1086 CD ARG A 72 7.313 2.446 8.375 1.00 0.00 C ATOM 1087 NE ARG A 72 8.009 2.775 9.639 1.00 0.00 N ATOM 1088 CZ ARG A 72 7.863 2.085 10.778 1.00 0.00 C ATOM 1089 NH1 ARG A 72 7.047 1.023 10.819 1.00 0.00 N ATOM 1090 NH2 ARG A 72 8.534 2.457 11.877 1.00 0.00 N ATOM 0 H ARG A 72 4.337 4.198 6.349 1.00 0.00 H new ATOM 0 HA ARG A 72 6.836 5.407 5.590 1.00 0.00 H new ATOM 0 HB2 ARG A 72 5.875 2.605 6.215 1.00 0.00 H new ATOM 0 HB3 ARG A 72 7.450 2.851 5.487 1.00 0.00 H new ATOM 0 HG2 ARG A 72 8.265 4.088 7.350 1.00 0.00 H new ATOM 0 HG3 ARG A 72 6.654 4.453 7.937 1.00 0.00 H new ATOM 0 HD2 ARG A 72 6.302 2.098 8.587 1.00 0.00 H new ATOM 0 HD3 ARG A 72 7.830 1.632 7.867 1.00 0.00 H new ATOM 0 HE ARG A 72 8.639 3.577 9.643 1.00 0.00 H new ATOM 0 HH11 ARG A 72 6.537 0.739 9.983 1.00 0.00 H new ATOM 0 HH12 ARG A 72 6.936 0.498 11.687 1.00 0.00 H new ATOM 0 HH21 ARG A 72 9.156 3.265 11.846 1.00 0.00 H new ATOM 0 HH22 ARG A 72 8.423 1.932 12.744 1.00 0.00 H new ATOM 1104 N PHE A 73 7.262 3.984 3.327 1.00 0.00 N ATOM 1105 CA PHE A 73 7.358 3.705 1.904 1.00 0.00 C ATOM 1106 C PHE A 73 7.883 2.289 1.657 1.00 0.00 C ATOM 1107 O PHE A 73 8.790 1.830 2.350 1.00 0.00 O ATOM 1108 CB PHE A 73 8.349 4.713 1.317 1.00 0.00 C ATOM 1109 CG PHE A 73 7.891 6.169 1.423 1.00 0.00 C ATOM 1110 CD1 PHE A 73 8.001 6.833 2.605 1.00 0.00 C ATOM 1111 CD2 PHE A 73 7.373 6.800 0.335 1.00 0.00 C ATOM 1112 CE1 PHE A 73 7.576 8.184 2.703 1.00 0.00 C ATOM 1113 CE2 PHE A 73 6.948 8.151 0.433 1.00 0.00 C ATOM 1114 CZ PHE A 73 7.059 8.815 1.615 1.00 0.00 C ATOM 0 H PHE A 73 8.141 3.904 3.838 1.00 0.00 H new ATOM 0 HA PHE A 73 6.374 3.785 1.442 1.00 0.00 H new ATOM 0 HB2 PHE A 73 9.306 4.606 1.828 1.00 0.00 H new ATOM 0 HB3 PHE A 73 8.519 4.472 0.268 1.00 0.00 H new ATOM 0 HD1 PHE A 73 8.412 6.332 3.469 1.00 0.00 H new ATOM 0 HD2 PHE A 73 7.285 6.273 -0.604 1.00 0.00 H new ATOM 0 HE1 PHE A 73 7.663 8.711 3.642 1.00 0.00 H new ATOM 0 HE2 PHE A 73 6.537 8.652 -0.431 1.00 0.00 H new ATOM 0 HZ PHE A 73 6.737 9.843 1.689 1.00 0.00 H new ATOM 1124 N LEU A 74 7.291 1.638 0.667 1.00 0.00 N ATOM 1125 CA LEU A 74 7.688 0.284 0.320 1.00 0.00 C ATOM 1126 C LEU A 74 8.577 0.320 -0.924 1.00 0.00 C ATOM 1127 O LEU A 74 8.416 1.188 -1.782 1.00 0.00 O ATOM 1128 CB LEU A 74 6.457 -0.613 0.170 1.00 0.00 C ATOM 1129 CG LEU A 74 5.668 -0.889 1.451 1.00 0.00 C ATOM 1130 CD1 LEU A 74 4.438 -1.751 1.162 1.00 0.00 C ATOM 1131 CD2 LEU A 74 6.564 -1.509 2.525 1.00 0.00 C ATOM 0 H LEU A 74 6.540 2.023 0.094 1.00 0.00 H new ATOM 0 HA LEU A 74 8.280 -0.157 1.122 1.00 0.00 H new ATOM 0 HB2 LEU A 74 5.785 -0.155 -0.556 1.00 0.00 H new ATOM 0 HB3 LEU A 74 6.776 -1.567 -0.249 1.00 0.00 H new ATOM 0 HG LEU A 74 5.309 0.063 1.843 1.00 0.00 H new ATOM 0 HD11 LEU A 74 3.895 -1.932 2.089 1.00 0.00 H new ATOM 0 HD12 LEU A 74 3.788 -1.233 0.456 1.00 0.00 H new ATOM 0 HD13 LEU A 74 4.753 -2.703 0.734 1.00 0.00 H new ATOM 0 HD21 LEU A 74 5.978 -1.695 3.425 1.00 0.00 H new ATOM 0 HD22 LEU A 74 6.974 -2.450 2.158 1.00 0.00 H new ATOM 0 HD23 LEU A 74 7.379 -0.824 2.758 1.00 0.00 H new ATOM 1143 N HIS A 75 9.497 -0.631 -0.984 1.00 0.00 N ATOM 1144 CA HIS A 75 10.412 -0.719 -2.109 1.00 0.00 C ATOM 1145 C HIS A 75 9.654 -1.186 -3.353 1.00 0.00 C ATOM 1146 O HIS A 75 8.567 -1.752 -3.245 1.00 0.00 O ATOM 1147 CB HIS A 75 11.605 -1.615 -1.770 1.00 0.00 C ATOM 1148 CG HIS A 75 12.940 -1.043 -2.184 1.00 0.00 C ATOM 1149 ND1 HIS A 75 13.576 -1.398 -3.360 1.00 0.00 N ATOM 1150 CD2 HIS A 75 13.751 -0.137 -1.566 1.00 0.00 C ATOM 1151 CE1 HIS A 75 14.718 -0.730 -3.436 1.00 0.00 C ATOM 1152 NE2 HIS A 75 14.825 0.050 -2.323 1.00 0.00 N ATOM 0 H HIS A 75 9.629 -1.348 -0.271 1.00 0.00 H new ATOM 0 HA HIS A 75 10.822 0.267 -2.326 1.00 0.00 H new ATOM 0 HB2 HIS A 75 11.616 -1.796 -0.695 1.00 0.00 H new ATOM 0 HB3 HIS A 75 11.469 -2.582 -2.255 1.00 0.00 H new ATOM 0 HD2 HIS A 75 13.553 0.346 -0.621 1.00 0.00 H new ATOM 0 HE1 HIS A 75 15.438 -0.793 -4.239 1.00 0.00 H new ATOM 0 HE2 HIS A 75 15.602 0.674 -2.108 1.00 0.00 H new ATOM 1160 N GLY A 76 10.257 -0.932 -4.505 1.00 0.00 N ATOM 1161 CA GLY A 76 9.652 -1.319 -5.767 1.00 0.00 C ATOM 1162 C GLY A 76 9.789 -2.825 -6.002 1.00 0.00 C ATOM 1163 O GLY A 76 8.956 -3.431 -6.674 1.00 0.00 O ATOM 0 H GLY A 76 11.159 -0.463 -4.590 1.00 0.00 H new ATOM 0 HA2 GLY A 76 8.598 -1.041 -5.769 1.00 0.00 H new ATOM 0 HA3 GLY A 76 10.127 -0.775 -6.584 1.00 0.00 H new ATOM 1167 N ASN A 77 10.848 -3.385 -5.436 1.00 0.00 N ATOM 1168 CA ASN A 77 11.106 -4.808 -5.576 1.00 0.00 C ATOM 1169 C ASN A 77 10.268 -5.577 -4.552 1.00 0.00 C ATOM 1170 O ASN A 77 9.986 -6.760 -4.738 1.00 0.00 O ATOM 1171 CB ASN A 77 12.579 -5.129 -5.317 1.00 0.00 C ATOM 1172 CG ASN A 77 13.196 -5.870 -6.505 1.00 0.00 C ATOM 1173 OD1 ASN A 77 13.630 -5.280 -7.480 1.00 0.00 O ATOM 1174 ND2 ASN A 77 13.211 -7.193 -6.368 1.00 0.00 N ATOM 0 H ASN A 77 11.537 -2.879 -4.880 1.00 0.00 H new ATOM 0 HA ASN A 77 10.847 -5.099 -6.594 1.00 0.00 H new ATOM 0 HB2 ASN A 77 13.129 -4.206 -5.134 1.00 0.00 H new ATOM 0 HB3 ASN A 77 12.669 -5.738 -4.417 1.00 0.00 H new ATOM 0 HD21 ASN A 77 13.603 -7.778 -7.106 1.00 0.00 H new ATOM 0 HD22 ASN A 77 12.831 -7.623 -5.525 1.00 0.00 H new ATOM 1181 N VAL A 78 9.892 -4.873 -3.495 1.00 0.00 N ATOM 1182 CA VAL A 78 9.091 -5.474 -2.441 1.00 0.00 C ATOM 1183 C VAL A 78 7.828 -6.084 -3.052 1.00 0.00 C ATOM 1184 O VAL A 78 7.304 -5.573 -4.041 1.00 0.00 O ATOM 1185 CB VAL A 78 8.791 -4.438 -1.357 1.00 0.00 C ATOM 1186 CG1 VAL A 78 7.579 -4.855 -0.521 1.00 0.00 C ATOM 1187 CG2 VAL A 78 10.015 -4.203 -0.469 1.00 0.00 C ATOM 0 H VAL A 78 10.127 -3.892 -3.345 1.00 0.00 H new ATOM 0 HA VAL A 78 9.640 -6.281 -1.956 1.00 0.00 H new ATOM 0 HB VAL A 78 8.550 -3.497 -1.851 1.00 0.00 H new ATOM 0 HG11 VAL A 78 7.387 -4.101 0.243 1.00 0.00 H new ATOM 0 HG12 VAL A 78 6.706 -4.948 -1.167 1.00 0.00 H new ATOM 0 HG13 VAL A 78 7.780 -5.814 -0.042 1.00 0.00 H new ATOM 0 HG21 VAL A 78 9.775 -3.462 0.293 1.00 0.00 H new ATOM 0 HG22 VAL A 78 10.301 -5.139 0.012 1.00 0.00 H new ATOM 0 HG23 VAL A 78 10.843 -3.841 -1.079 1.00 0.00 H new ATOM 1197 N THR A 79 7.376 -7.167 -2.438 1.00 0.00 N ATOM 1198 CA THR A 79 6.184 -7.852 -2.909 1.00 0.00 C ATOM 1199 C THR A 79 5.313 -8.280 -1.726 1.00 0.00 C ATOM 1200 O THR A 79 5.823 -8.773 -0.721 1.00 0.00 O ATOM 1201 CB THR A 79 6.628 -9.021 -3.791 1.00 0.00 C ATOM 1202 OG1 THR A 79 7.462 -9.801 -2.939 1.00 0.00 O ATOM 1203 CG2 THR A 79 7.559 -8.580 -4.922 1.00 0.00 C ATOM 0 H THR A 79 7.814 -7.587 -1.618 1.00 0.00 H new ATOM 0 HA THR A 79 5.559 -7.191 -3.510 1.00 0.00 H new ATOM 0 HB THR A 79 5.751 -9.511 -4.213 1.00 0.00 H new ATOM 0 HG1 THR A 79 7.793 -10.582 -3.430 1.00 0.00 H new ATOM 0 HG21 THR A 79 7.844 -9.447 -5.517 1.00 0.00 H new ATOM 0 HG22 THR A 79 7.045 -7.858 -5.556 1.00 0.00 H new ATOM 0 HG23 THR A 79 8.452 -8.120 -4.499 1.00 0.00 H new ATOM 1211 N LEU A 80 4.013 -8.075 -1.885 1.00 0.00 N ATOM 1212 CA LEU A 80 3.066 -8.434 -0.843 1.00 0.00 C ATOM 1213 C LEU A 80 3.479 -9.770 -0.223 1.00 0.00 C ATOM 1214 O LEU A 80 3.247 -10.007 0.962 1.00 0.00 O ATOM 1215 CB LEU A 80 1.638 -8.426 -1.392 1.00 0.00 C ATOM 1216 CG LEU A 80 1.017 -7.047 -1.624 1.00 0.00 C ATOM 1217 CD1 LEU A 80 -0.320 -7.165 -2.359 1.00 0.00 C ATOM 1218 CD2 LEU A 80 0.882 -6.277 -0.309 1.00 0.00 C ATOM 0 H LEU A 80 3.594 -7.665 -2.720 1.00 0.00 H new ATOM 0 HA LEU A 80 3.080 -7.693 -0.043 1.00 0.00 H new ATOM 0 HB2 LEU A 80 1.630 -8.970 -2.337 1.00 0.00 H new ATOM 0 HB3 LEU A 80 1.001 -8.978 -0.701 1.00 0.00 H new ATOM 0 HG LEU A 80 1.688 -6.474 -2.264 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -0.740 -6.171 -2.511 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -0.163 -7.645 -3.325 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -1.010 -7.764 -1.765 1.00 0.00 H new ATOM 0 HD21 LEU A 80 0.438 -5.301 -0.503 1.00 0.00 H new ATOM 0 HD22 LEU A 80 0.245 -6.836 0.376 1.00 0.00 H new ATOM 0 HD23 LEU A 80 1.867 -6.145 0.138 1.00 0.00 H new ATOM 1230 N GLY A 81 4.084 -10.609 -1.051 1.00 0.00 N ATOM 1231 CA GLY A 81 4.532 -11.915 -0.598 1.00 0.00 C ATOM 1232 C GLY A 81 5.538 -11.783 0.547 1.00 0.00 C ATOM 1233 O GLY A 81 5.329 -12.333 1.628 1.00 0.00 O ATOM 0 H GLY A 81 4.274 -10.410 -2.033 1.00 0.00 H new ATOM 0 HA2 GLY A 81 3.675 -12.503 -0.268 1.00 0.00 H new ATOM 0 HA3 GLY A 81 4.989 -12.455 -1.428 1.00 0.00 H new ATOM 1237 N ALA A 82 6.608 -11.052 0.272 1.00 0.00 N ATOM 1238 CA ALA A 82 7.647 -10.842 1.265 1.00 0.00 C ATOM 1239 C ALA A 82 7.050 -10.120 2.476 1.00 0.00 C ATOM 1240 O ALA A 82 7.596 -10.190 3.575 1.00 0.00 O ATOM 1241 CB ALA A 82 8.805 -10.065 0.636 1.00 0.00 C ATOM 0 H ALA A 82 6.778 -10.597 -0.625 1.00 0.00 H new ATOM 0 HA ALA A 82 8.045 -11.796 1.612 1.00 0.00 H new ATOM 0 HB1 ALA A 82 9.585 -9.907 1.381 1.00 0.00 H new ATOM 0 HB2 ALA A 82 9.212 -10.633 -0.201 1.00 0.00 H new ATOM 0 HB3 ALA A 82 8.444 -9.100 0.279 1.00 0.00 H new ATOM 1247 N LEU A 83 5.937 -9.444 2.232 1.00 0.00 N ATOM 1248 CA LEU A 83 5.260 -8.711 3.288 1.00 0.00 C ATOM 1249 C LEU A 83 4.365 -9.669 4.076 1.00 0.00 C ATOM 1250 O LEU A 83 3.725 -9.270 5.047 1.00 0.00 O ATOM 1251 CB LEU A 83 4.514 -7.507 2.711 1.00 0.00 C ATOM 1252 CG LEU A 83 5.382 -6.432 2.052 1.00 0.00 C ATOM 1253 CD1 LEU A 83 4.517 -5.364 1.381 1.00 0.00 C ATOM 1254 CD2 LEU A 83 6.362 -5.826 3.059 1.00 0.00 C ATOM 0 H LEU A 83 5.487 -9.389 1.318 1.00 0.00 H new ATOM 0 HA LEU A 83 5.985 -8.301 3.991 1.00 0.00 H new ATOM 0 HB2 LEU A 83 3.796 -7.868 1.974 1.00 0.00 H new ATOM 0 HB3 LEU A 83 3.941 -7.042 3.513 1.00 0.00 H new ATOM 0 HG LEU A 83 5.975 -6.904 1.269 1.00 0.00 H new ATOM 0 HD11 LEU A 83 5.159 -4.613 0.921 1.00 0.00 H new ATOM 0 HD12 LEU A 83 3.895 -5.828 0.616 1.00 0.00 H new ATOM 0 HD13 LEU A 83 3.880 -4.889 2.128 1.00 0.00 H new ATOM 0 HD21 LEU A 83 6.967 -5.065 2.566 1.00 0.00 H new ATOM 0 HD22 LEU A 83 5.806 -5.372 3.879 1.00 0.00 H new ATOM 0 HD23 LEU A 83 7.012 -6.609 3.450 1.00 0.00 H new ATOM 1266 N LYS A 84 4.348 -10.916 3.627 1.00 0.00 N ATOM 1267 CA LYS A 84 3.542 -11.935 4.278 1.00 0.00 C ATOM 1268 C LYS A 84 2.289 -11.286 4.870 1.00 0.00 C ATOM 1269 O LYS A 84 1.917 -11.570 6.007 1.00 0.00 O ATOM 1270 CB LYS A 84 4.377 -12.706 5.302 1.00 0.00 C ATOM 1271 CG LYS A 84 5.134 -11.749 6.225 1.00 0.00 C ATOM 1272 CD LYS A 84 4.215 -11.203 7.321 1.00 0.00 C ATOM 1273 CE LYS A 84 5.025 -10.737 8.533 1.00 0.00 C ATOM 1274 NZ LYS A 84 4.124 -10.379 9.651 1.00 0.00 N ATOM 0 H LYS A 84 4.879 -11.243 2.820 1.00 0.00 H new ATOM 0 HA LYS A 84 3.206 -12.676 3.553 1.00 0.00 H new ATOM 0 HB2 LYS A 84 3.728 -13.351 5.894 1.00 0.00 H new ATOM 0 HB3 LYS A 84 5.085 -13.354 4.785 1.00 0.00 H new ATOM 0 HG2 LYS A 84 5.979 -12.267 6.679 1.00 0.00 H new ATOM 0 HG3 LYS A 84 5.542 -10.923 5.643 1.00 0.00 H new ATOM 0 HD2 LYS A 84 3.629 -10.372 6.929 1.00 0.00 H new ATOM 0 HD3 LYS A 84 3.508 -11.975 7.626 1.00 0.00 H new ATOM 0 HE2 LYS A 84 5.708 -11.526 8.847 1.00 0.00 H new ATOM 0 HE3 LYS A 84 5.636 -9.876 8.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 4.689 -10.065 10.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 3.489 -9.611 9.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 3.559 -11.209 9.921 1.00 0.00 H new ATOM 1288 N LEU A 85 1.672 -10.428 4.071 1.00 0.00 N ATOM 1289 CA LEU A 85 0.469 -9.737 4.501 1.00 0.00 C ATOM 1290 C LEU A 85 -0.691 -10.733 4.565 1.00 0.00 C ATOM 1291 O LEU A 85 -0.723 -11.703 3.810 1.00 0.00 O ATOM 1292 CB LEU A 85 0.194 -8.530 3.602 1.00 0.00 C ATOM 1293 CG LEU A 85 0.212 -7.163 4.290 1.00 0.00 C ATOM 1294 CD1 LEU A 85 1.348 -7.079 5.312 1.00 0.00 C ATOM 1295 CD2 LEU A 85 0.281 -6.032 3.261 1.00 0.00 C ATOM 0 H LEU A 85 1.983 -10.196 3.128 1.00 0.00 H new ATOM 0 HA LEU A 85 0.600 -9.334 5.505 1.00 0.00 H new ATOM 0 HB2 LEU A 85 0.934 -8.522 2.802 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -0.781 -8.666 3.133 1.00 0.00 H new ATOM 0 HG LEU A 85 -0.723 -7.043 4.837 1.00 0.00 H new ATOM 0 HD11 LEU A 85 1.339 -6.098 5.787 1.00 0.00 H new ATOM 0 HD12 LEU A 85 1.213 -7.850 6.070 1.00 0.00 H new ATOM 0 HD13 LEU A 85 2.303 -7.229 4.808 1.00 0.00 H new ATOM 0 HD21 LEU A 85 0.293 -5.072 3.776 1.00 0.00 H new ATOM 0 HD22 LEU A 85 1.189 -6.136 2.667 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -0.589 -6.082 2.606 1.00 0.00 H new ATOM 1307 N PRO A 86 -1.640 -10.451 5.497 1.00 0.00 N ATOM 1308 CA PRO A 86 -2.798 -11.311 5.670 1.00 0.00 C ATOM 1309 C PRO A 86 -3.804 -11.109 4.535 1.00 0.00 C ATOM 1310 O PRO A 86 -4.134 -9.977 4.187 1.00 0.00 O ATOM 1311 CB PRO A 86 -3.360 -10.945 7.034 1.00 0.00 C ATOM 1312 CG PRO A 86 -2.780 -9.581 7.372 1.00 0.00 C ATOM 1313 CD PRO A 86 -1.635 -9.311 6.409 1.00 0.00 C ATOM 0 HA PRO A 86 -2.545 -12.371 5.630 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -4.449 -10.911 7.011 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -3.079 -11.685 7.783 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -3.544 -8.809 7.283 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -2.425 -9.562 8.402 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -1.782 -8.374 5.872 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -0.685 -9.230 6.937 1.00 0.00 H new ATOM 1321 N PHE A 87 -4.264 -12.226 3.989 1.00 0.00 N ATOM 1322 CA PHE A 87 -5.226 -12.186 2.901 1.00 0.00 C ATOM 1323 C PHE A 87 -6.614 -11.791 3.410 1.00 0.00 C ATOM 1324 O PHE A 87 -6.828 -11.680 4.616 1.00 0.00 O ATOM 1325 CB PHE A 87 -5.294 -13.597 2.313 1.00 0.00 C ATOM 1326 CG PHE A 87 -3.984 -14.071 1.681 1.00 0.00 C ATOM 1327 CD1 PHE A 87 -3.190 -13.189 1.018 1.00 0.00 C ATOM 1328 CD2 PHE A 87 -3.614 -15.376 1.782 1.00 0.00 C ATOM 1329 CE1 PHE A 87 -1.975 -13.629 0.431 1.00 0.00 C ATOM 1330 CE2 PHE A 87 -2.398 -15.817 1.195 1.00 0.00 C ATOM 1331 CZ PHE A 87 -1.604 -14.934 0.532 1.00 0.00 C ATOM 0 H PHE A 87 -3.988 -13.164 4.280 1.00 0.00 H new ATOM 0 HA PHE A 87 -4.918 -11.450 2.159 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -5.579 -14.295 3.101 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -6.081 -13.628 1.560 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -3.484 -12.153 0.938 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -4.245 -16.077 2.309 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -1.345 -12.928 -0.096 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -2.104 -16.853 1.275 1.00 0.00 H new ATOM 0 HZ PHE A 87 -0.679 -15.269 0.086 1.00 0.00 H new ATOM 1341 N GLY A 88 -7.520 -11.589 2.465 1.00 0.00 N ATOM 1342 CA GLY A 88 -8.881 -11.208 2.802 1.00 0.00 C ATOM 1343 C GLY A 88 -8.895 -10.072 3.827 1.00 0.00 C ATOM 1344 O GLY A 88 -9.716 -10.067 4.743 1.00 0.00 O ATOM 0 H GLY A 88 -7.338 -11.682 1.466 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -9.409 -10.896 1.901 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -9.415 -12.070 3.202 1.00 0.00 H new ATOM 1348 N LYS A 89 -7.975 -9.137 3.639 1.00 0.00 N ATOM 1349 CA LYS A 89 -7.871 -7.999 4.536 1.00 0.00 C ATOM 1350 C LYS A 89 -7.791 -6.712 3.712 1.00 0.00 C ATOM 1351 O LYS A 89 -7.763 -6.758 2.483 1.00 0.00 O ATOM 1352 CB LYS A 89 -6.700 -8.184 5.503 1.00 0.00 C ATOM 1353 CG LYS A 89 -7.102 -9.066 6.687 1.00 0.00 C ATOM 1354 CD LYS A 89 -7.085 -8.271 7.994 1.00 0.00 C ATOM 1355 CE LYS A 89 -7.924 -8.964 9.069 1.00 0.00 C ATOM 1356 NZ LYS A 89 -9.305 -8.431 9.072 1.00 0.00 N ATOM 0 H LYS A 89 -7.295 -9.144 2.879 1.00 0.00 H new ATOM 0 HA LYS A 89 -8.761 -7.924 5.161 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -5.858 -8.635 4.978 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -6.366 -7.212 5.866 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -8.098 -9.475 6.519 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -6.419 -9.912 6.763 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -6.058 -8.161 8.344 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -7.471 -7.267 7.818 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -7.943 -10.039 8.887 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -7.468 -8.814 10.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -9.861 -8.912 9.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -9.283 -7.410 9.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -9.743 -8.596 8.143 1.00 0.00 H new ATOM 1370 N THR A 90 -7.754 -5.594 4.422 1.00 0.00 N ATOM 1371 CA THR A 90 -7.678 -4.297 3.772 1.00 0.00 C ATOM 1372 C THR A 90 -6.510 -3.486 4.337 1.00 0.00 C ATOM 1373 O THR A 90 -6.504 -3.138 5.517 1.00 0.00 O ATOM 1374 CB THR A 90 -9.033 -3.605 3.935 1.00 0.00 C ATOM 1375 OG1 THR A 90 -9.968 -4.548 3.419 1.00 0.00 O ATOM 1376 CG2 THR A 90 -9.184 -2.390 3.017 1.00 0.00 C ATOM 0 H THR A 90 -7.775 -5.560 5.441 1.00 0.00 H new ATOM 0 HA THR A 90 -7.476 -4.400 2.706 1.00 0.00 H new ATOM 0 HB THR A 90 -9.160 -3.294 4.972 1.00 0.00 H new ATOM 0 HG1 THR A 90 -10.874 -4.181 3.487 1.00 0.00 H new ATOM 0 HG21 THR A 90 -10.163 -1.936 3.172 1.00 0.00 H new ATOM 0 HG22 THR A 90 -8.406 -1.662 3.246 1.00 0.00 H new ATOM 0 HG23 THR A 90 -9.091 -2.705 1.978 1.00 0.00 H new ATOM 1384 N THR A 91 -5.549 -3.208 3.468 1.00 0.00 N ATOM 1385 CA THR A 91 -4.378 -2.445 3.866 1.00 0.00 C ATOM 1386 C THR A 91 -4.475 -1.010 3.344 1.00 0.00 C ATOM 1387 O THR A 91 -4.964 -0.779 2.239 1.00 0.00 O ATOM 1388 CB THR A 91 -3.137 -3.189 3.369 1.00 0.00 C ATOM 1389 OG1 THR A 91 -2.867 -4.139 4.397 1.00 0.00 O ATOM 1390 CG2 THR A 91 -1.891 -2.301 3.346 1.00 0.00 C ATOM 0 H THR A 91 -5.557 -3.497 2.490 1.00 0.00 H new ATOM 0 HA THR A 91 -4.311 -2.360 4.951 1.00 0.00 H new ATOM 0 HB THR A 91 -3.324 -3.578 2.368 1.00 0.00 H new ATOM 0 HG1 THR A 91 -2.077 -4.667 4.155 1.00 0.00 H new ATOM 0 HG21 THR A 91 -1.039 -2.878 2.986 1.00 0.00 H new ATOM 0 HG22 THR A 91 -2.061 -1.453 2.683 1.00 0.00 H new ATOM 0 HG23 THR A 91 -1.684 -1.939 4.353 1.00 0.00 H new ATOM 1398 N VAL A 92 -4.002 -0.083 4.164 1.00 0.00 N ATOM 1399 CA VAL A 92 -4.029 1.323 3.799 1.00 0.00 C ATOM 1400 C VAL A 92 -2.691 1.707 3.163 1.00 0.00 C ATOM 1401 O VAL A 92 -1.631 1.403 3.707 1.00 0.00 O ATOM 1402 CB VAL A 92 -4.375 2.175 5.022 1.00 0.00 C ATOM 1403 CG1 VAL A 92 -4.241 3.666 4.708 1.00 0.00 C ATOM 1404 CG2 VAL A 92 -5.777 1.847 5.540 1.00 0.00 C ATOM 0 H VAL A 92 -3.598 -0.278 5.080 1.00 0.00 H new ATOM 0 HA VAL A 92 -4.807 1.510 3.058 1.00 0.00 H new ATOM 0 HB VAL A 92 -3.662 1.934 5.810 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -4.493 4.249 5.594 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -3.216 3.884 4.409 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -4.919 3.929 3.896 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -5.998 2.466 6.409 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -6.510 2.045 4.758 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -5.824 0.795 5.823 1.00 0.00 H new ATOM 1414 N MET A 93 -2.785 2.369 2.019 1.00 0.00 N ATOM 1415 CA MET A 93 -1.595 2.797 1.303 1.00 0.00 C ATOM 1416 C MET A 93 -1.879 4.047 0.467 1.00 0.00 C ATOM 1417 O MET A 93 -2.976 4.205 -0.067 1.00 0.00 O ATOM 1418 CB MET A 93 -1.116 1.668 0.388 1.00 0.00 C ATOM 1419 CG MET A 93 -0.463 0.546 1.198 1.00 0.00 C ATOM 1420 SD MET A 93 0.216 -0.685 0.098 1.00 0.00 S ATOM 1421 CE MET A 93 1.073 -1.715 1.277 1.00 0.00 C ATOM 0 H MET A 93 -3.666 2.619 1.570 1.00 0.00 H new ATOM 0 HA MET A 93 -0.821 3.038 2.032 1.00 0.00 H new ATOM 0 HB2 MET A 93 -1.959 1.270 -0.177 1.00 0.00 H new ATOM 0 HB3 MET A 93 -0.403 2.060 -0.337 1.00 0.00 H new ATOM 0 HG2 MET A 93 0.325 0.954 1.831 1.00 0.00 H new ATOM 0 HG3 MET A 93 -1.198 0.088 1.860 1.00 0.00 H new ATOM 0 HE1 MET A 93 1.328 -2.667 0.811 1.00 0.00 H new ATOM 0 HE2 MET A 93 1.985 -1.214 1.602 1.00 0.00 H new ATOM 0 HE3 MET A 93 0.430 -1.894 2.139 1.00 0.00 H new ATOM 1431 N HIS A 94 -0.871 4.902 0.378 1.00 0.00 N ATOM 1432 CA HIS A 94 -0.998 6.132 -0.384 1.00 0.00 C ATOM 1433 C HIS A 94 -0.066 6.084 -1.596 1.00 0.00 C ATOM 1434 O HIS A 94 0.872 5.288 -1.631 1.00 0.00 O ATOM 1435 CB HIS A 94 -0.749 7.351 0.507 1.00 0.00 C ATOM 1436 CG HIS A 94 -1.857 7.626 1.495 1.00 0.00 C ATOM 1437 ND1 HIS A 94 -2.207 6.736 2.495 1.00 0.00 N ATOM 1438 CD2 HIS A 94 -2.688 8.700 1.626 1.00 0.00 C ATOM 1439 CE1 HIS A 94 -3.206 7.261 3.191 1.00 0.00 C ATOM 1440 NE2 HIS A 94 -3.502 8.478 2.651 1.00 0.00 N ATOM 0 H HIS A 94 0.038 4.767 0.821 1.00 0.00 H new ATOM 0 HA HIS A 94 -2.018 6.229 -0.757 1.00 0.00 H new ATOM 0 HB2 HIS A 94 0.183 7.205 1.053 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -0.614 8.229 -0.125 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -2.684 9.581 1.002 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -3.699 6.805 4.037 1.00 0.00 H new ATOM 0 HE2 HIS A 94 -4.229 9.113 2.980 1.00 0.00 H new ATOM 1448 N LEU A 95 -0.356 6.944 -2.561 1.00 0.00 N ATOM 1449 CA LEU A 95 0.444 7.009 -3.772 1.00 0.00 C ATOM 1450 C LEU A 95 0.843 8.462 -4.037 1.00 0.00 C ATOM 1451 O LEU A 95 0.086 9.383 -3.732 1.00 0.00 O ATOM 1452 CB LEU A 95 -0.296 6.352 -4.939 1.00 0.00 C ATOM 1453 CG LEU A 95 0.569 5.550 -5.914 1.00 0.00 C ATOM 1454 CD1 LEU A 95 -0.291 4.893 -6.995 1.00 0.00 C ATOM 1455 CD2 LEU A 95 1.674 6.422 -6.512 1.00 0.00 C ATOM 0 H LEU A 95 -1.135 7.602 -2.529 1.00 0.00 H new ATOM 0 HA LEU A 95 1.367 6.442 -3.650 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -1.060 5.689 -4.532 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -0.814 7.130 -5.499 1.00 0.00 H new ATOM 0 HG LEU A 95 1.057 4.749 -5.359 1.00 0.00 H new ATOM 0 HD11 LEU A 95 0.347 4.329 -7.675 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -1.009 4.219 -6.529 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -0.825 5.662 -7.553 1.00 0.00 H new ATOM 0 HD21 LEU A 95 2.274 5.827 -7.201 1.00 0.00 H new ATOM 0 HD22 LEU A 95 1.227 7.259 -7.049 1.00 0.00 H new ATOM 0 HD23 LEU A 95 2.310 6.802 -5.713 1.00 0.00 H new ATOM 1467 N VAL A 96 2.031 8.623 -4.602 1.00 0.00 N ATOM 1468 CA VAL A 96 2.539 9.948 -4.911 1.00 0.00 C ATOM 1469 C VAL A 96 3.493 9.858 -6.104 1.00 0.00 C ATOM 1470 O VAL A 96 3.984 8.779 -6.431 1.00 0.00 O ATOM 1471 CB VAL A 96 3.191 10.562 -3.670 1.00 0.00 C ATOM 1472 CG1 VAL A 96 2.155 10.808 -2.572 1.00 0.00 C ATOM 1473 CG2 VAL A 96 4.333 9.681 -3.159 1.00 0.00 C ATOM 0 H VAL A 96 2.656 7.857 -4.854 1.00 0.00 H new ATOM 0 HA VAL A 96 1.723 10.613 -5.196 1.00 0.00 H new ATOM 0 HB VAL A 96 3.613 11.526 -3.955 1.00 0.00 H new ATOM 0 HG11 VAL A 96 2.644 11.245 -1.701 1.00 0.00 H new ATOM 0 HG12 VAL A 96 1.390 11.492 -2.940 1.00 0.00 H new ATOM 0 HG13 VAL A 96 1.691 9.863 -2.291 1.00 0.00 H new ATOM 0 HG21 VAL A 96 4.780 10.140 -2.277 1.00 0.00 H new ATOM 0 HG22 VAL A 96 3.945 8.696 -2.899 1.00 0.00 H new ATOM 0 HG23 VAL A 96 5.090 9.579 -3.937 1.00 0.00 H new ATOM 1483 N ALA A 97 3.725 11.007 -6.723 1.00 0.00 N ATOM 1484 CA ALA A 97 4.611 11.071 -7.873 1.00 0.00 C ATOM 1485 C ALA A 97 5.621 12.202 -7.670 1.00 0.00 C ATOM 1486 O ALA A 97 5.275 13.377 -7.787 1.00 0.00 O ATOM 1487 CB ALA A 97 3.783 11.251 -9.146 1.00 0.00 C ATOM 0 H ALA A 97 3.315 11.900 -6.450 1.00 0.00 H new ATOM 0 HA ALA A 97 5.172 10.142 -7.978 1.00 0.00 H new ATOM 0 HB1 ALA A 97 4.448 11.299 -10.009 1.00 0.00 H new ATOM 0 HB2 ALA A 97 3.102 10.408 -9.259 1.00 0.00 H new ATOM 0 HB3 ALA A 97 3.209 12.175 -9.079 1.00 0.00 H new ATOM 1493 N ARG A 98 6.850 11.808 -7.370 1.00 0.00 N ATOM 1494 CA ARG A 98 7.913 12.774 -7.150 1.00 0.00 C ATOM 1495 C ARG A 98 9.256 12.059 -6.988 1.00 0.00 C ATOM 1496 O ARG A 98 9.325 10.991 -6.383 1.00 0.00 O ATOM 1497 CB ARG A 98 7.640 13.620 -5.904 1.00 0.00 C ATOM 1498 CG ARG A 98 8.792 14.591 -5.638 1.00 0.00 C ATOM 1499 CD ARG A 98 8.689 15.824 -6.537 1.00 0.00 C ATOM 1500 NE ARG A 98 8.021 16.927 -5.810 1.00 0.00 N ATOM 1501 CZ ARG A 98 7.420 17.965 -6.407 1.00 0.00 C ATOM 1502 NH1 ARG A 98 7.399 18.048 -7.744 1.00 0.00 N ATOM 1503 NH2 ARG A 98 6.840 18.919 -5.666 1.00 0.00 N ATOM 0 H ARG A 98 7.133 10.833 -7.274 1.00 0.00 H new ATOM 0 HA ARG A 98 7.949 13.430 -8.020 1.00 0.00 H new ATOM 0 HB2 ARG A 98 6.712 14.177 -6.035 1.00 0.00 H new ATOM 0 HB3 ARG A 98 7.502 12.969 -5.041 1.00 0.00 H new ATOM 0 HG2 ARG A 98 8.780 14.897 -4.592 1.00 0.00 H new ATOM 0 HG3 ARG A 98 9.743 14.088 -5.812 1.00 0.00 H new ATOM 0 HD2 ARG A 98 9.684 16.137 -6.854 1.00 0.00 H new ATOM 0 HD3 ARG A 98 8.128 15.580 -7.439 1.00 0.00 H new ATOM 0 HE ARG A 98 8.018 16.895 -4.791 1.00 0.00 H new ATOM 0 HH11 ARG A 98 7.840 17.321 -8.307 1.00 0.00 H new ATOM 0 HH12 ARG A 98 6.942 18.838 -8.199 1.00 0.00 H new ATOM 0 HH21 ARG A 98 6.856 18.855 -4.648 1.00 0.00 H new ATOM 0 HH22 ARG A 98 6.382 19.710 -6.120 1.00 0.00 H new ATOM 1517 N GLU A 99 10.290 12.676 -7.541 1.00 0.00 N ATOM 1518 CA GLU A 99 11.626 12.112 -7.466 1.00 0.00 C ATOM 1519 C GLU A 99 12.094 12.047 -6.010 1.00 0.00 C ATOM 1520 O GLU A 99 11.283 11.879 -5.101 1.00 0.00 O ATOM 1521 CB GLU A 99 12.609 12.913 -8.322 1.00 0.00 C ATOM 1522 CG GLU A 99 12.890 14.282 -7.698 1.00 0.00 C ATOM 1523 CD GLU A 99 13.335 15.288 -8.762 1.00 0.00 C ATOM 1524 OE1 GLU A 99 14.549 15.302 -9.058 1.00 0.00 O ATOM 1525 OE2 GLU A 99 12.450 16.020 -9.255 1.00 0.00 O ATOM 0 H GLU A 99 10.229 13.562 -8.043 1.00 0.00 H new ATOM 0 HA GLU A 99 11.593 11.097 -7.863 1.00 0.00 H new ATOM 0 HB2 GLU A 99 13.542 12.359 -8.426 1.00 0.00 H new ATOM 0 HB3 GLU A 99 12.202 13.043 -9.325 1.00 0.00 H new ATOM 0 HG2 GLU A 99 11.994 14.649 -7.198 1.00 0.00 H new ATOM 0 HG3 GLU A 99 13.664 14.187 -6.936 1.00 0.00 H new ATOM 1532 N THR A 100 13.400 12.184 -5.835 1.00 0.00 N ATOM 1533 CA THR A 100 13.985 12.143 -4.506 1.00 0.00 C ATOM 1534 C THR A 100 14.695 13.462 -4.195 1.00 0.00 C ATOM 1535 O THR A 100 14.694 14.380 -5.013 1.00 0.00 O ATOM 1536 CB THR A 100 14.907 10.924 -4.432 1.00 0.00 C ATOM 1537 OG1 THR A 100 15.847 11.136 -5.482 1.00 0.00 O ATOM 1538 CG2 THR A 100 14.196 9.627 -4.825 1.00 0.00 C ATOM 0 H THR A 100 14.070 12.324 -6.592 1.00 0.00 H new ATOM 0 HA THR A 100 13.218 12.035 -3.739 1.00 0.00 H new ATOM 0 HB THR A 100 15.303 10.829 -3.421 1.00 0.00 H new ATOM 0 HG1 THR A 100 16.485 10.392 -5.505 1.00 0.00 H new ATOM 0 HG21 THR A 100 14.895 8.793 -4.755 1.00 0.00 H new ATOM 0 HG22 THR A 100 13.356 9.454 -4.152 1.00 0.00 H new ATOM 0 HG23 THR A 100 13.830 9.709 -5.848 1.00 0.00 H new ATOM 1546 N LEU A 101 15.285 13.514 -3.009 1.00 0.00 N ATOM 1547 CA LEU A 101 15.998 14.705 -2.580 1.00 0.00 C ATOM 1548 C LEU A 101 17.043 15.077 -3.635 1.00 0.00 C ATOM 1549 O LEU A 101 17.509 14.218 -4.382 1.00 0.00 O ATOM 1550 CB LEU A 101 16.582 14.505 -1.180 1.00 0.00 C ATOM 1551 CG LEU A 101 15.568 14.300 -0.053 1.00 0.00 C ATOM 1552 CD1 LEU A 101 16.247 13.752 1.203 1.00 0.00 C ATOM 1553 CD2 LEU A 101 14.795 15.590 0.230 1.00 0.00 C ATOM 0 H LEU A 101 15.284 12.751 -2.332 1.00 0.00 H new ATOM 0 HA LEU A 101 15.314 15.549 -2.497 1.00 0.00 H new ATOM 0 HB2 LEU A 101 17.247 13.642 -1.205 1.00 0.00 H new ATOM 0 HB3 LEU A 101 17.195 15.372 -0.937 1.00 0.00 H new ATOM 0 HG LEU A 101 14.843 13.554 -0.378 1.00 0.00 H new ATOM 0 HD11 LEU A 101 15.504 13.616 1.988 1.00 0.00 H new ATOM 0 HD12 LEU A 101 16.714 12.794 0.975 1.00 0.00 H new ATOM 0 HD13 LEU A 101 17.008 14.455 1.542 1.00 0.00 H new ATOM 0 HD21 LEU A 101 14.081 15.417 1.035 1.00 0.00 H new ATOM 0 HD22 LEU A 101 15.492 16.374 0.525 1.00 0.00 H new ATOM 0 HD23 LEU A 101 14.261 15.899 -0.669 1.00 0.00 H new ATOM 1565 N PRO A 102 17.388 16.392 -3.663 1.00 0.00 N ATOM 1566 CA PRO A 102 18.368 16.888 -4.614 1.00 0.00 C ATOM 1567 C PRO A 102 19.786 16.490 -4.198 1.00 0.00 C ATOM 1568 O PRO A 102 20.649 16.276 -5.048 1.00 0.00 O ATOM 1569 CB PRO A 102 18.160 18.394 -4.644 1.00 0.00 C ATOM 1570 CG PRO A 102 17.395 18.735 -3.376 1.00 0.00 C ATOM 1571 CD PRO A 102 16.856 17.438 -2.794 1.00 0.00 C ATOM 0 HA PRO A 102 18.242 16.461 -5.609 1.00 0.00 H new ATOM 0 HB2 PRO A 102 19.114 18.919 -4.677 1.00 0.00 H new ATOM 0 HB3 PRO A 102 17.600 18.693 -5.530 1.00 0.00 H new ATOM 0 HG2 PRO A 102 18.047 19.233 -2.659 1.00 0.00 H new ATOM 0 HG3 PRO A 102 16.579 19.423 -3.596 1.00 0.00 H new ATOM 0 HD2 PRO A 102 17.183 17.301 -1.763 1.00 0.00 H new ATOM 0 HD3 PRO A 102 15.766 17.430 -2.787 1.00 0.00 H new ATOM 1579 N GLU A 103 19.982 16.401 -2.890 1.00 0.00 N ATOM 1580 CA GLU A 103 21.280 16.032 -2.352 1.00 0.00 C ATOM 1581 C GLU A 103 21.690 14.648 -2.858 1.00 0.00 C ATOM 1582 O GLU A 103 20.837 13.824 -3.185 1.00 0.00 O ATOM 1583 CB GLU A 103 21.271 16.076 -0.822 1.00 0.00 C ATOM 1584 CG GLU A 103 20.402 14.956 -0.247 1.00 0.00 C ATOM 1585 CD GLU A 103 20.262 15.095 1.271 1.00 0.00 C ATOM 1586 OE1 GLU A 103 19.689 16.121 1.696 1.00 0.00 O ATOM 1587 OE2 GLU A 103 20.732 14.172 1.971 1.00 0.00 O ATOM 0 H GLU A 103 19.264 16.578 -2.188 1.00 0.00 H new ATOM 0 HA GLU A 103 22.016 16.757 -2.700 1.00 0.00 H new ATOM 0 HB2 GLU A 103 22.290 15.981 -0.446 1.00 0.00 H new ATOM 0 HB3 GLU A 103 20.896 17.042 -0.485 1.00 0.00 H new ATOM 0 HG2 GLU A 103 19.416 14.982 -0.711 1.00 0.00 H new ATOM 0 HG3 GLU A 103 20.843 13.989 -0.488 1.00 0.00 H new ATOM 1594 N PRO A 104 23.032 14.429 -2.909 1.00 0.00 N ATOM 1595 CA PRO A 104 23.566 13.159 -3.371 1.00 0.00 C ATOM 1596 C PRO A 104 23.394 12.073 -2.307 1.00 0.00 C ATOM 1597 O PRO A 104 24.349 11.376 -1.966 1.00 0.00 O ATOM 1598 CB PRO A 104 25.022 13.441 -3.701 1.00 0.00 C ATOM 1599 CG PRO A 104 25.371 14.732 -2.979 1.00 0.00 C ATOM 1600 CD PRO A 104 24.071 15.381 -2.530 1.00 0.00 C ATOM 0 HA PRO A 104 23.041 12.775 -4.245 1.00 0.00 H new ATOM 0 HB2 PRO A 104 25.663 12.623 -3.371 1.00 0.00 H new ATOM 0 HB3 PRO A 104 25.166 13.544 -4.777 1.00 0.00 H new ATOM 0 HG2 PRO A 104 26.012 14.528 -2.121 1.00 0.00 H new ATOM 0 HG3 PRO A 104 25.924 15.401 -3.639 1.00 0.00 H new ATOM 0 HD2 PRO A 104 24.069 15.562 -1.455 1.00 0.00 H new ATOM 0 HD3 PRO A 104 23.921 16.345 -3.016 1.00 0.00 H new ATOM 1608 N ASN A 105 22.170 11.963 -1.811 1.00 0.00 N ATOM 1609 CA ASN A 105 21.861 10.974 -0.793 1.00 0.00 C ATOM 1610 C ASN A 105 21.664 9.609 -1.456 1.00 0.00 C ATOM 1611 O ASN A 105 20.687 9.399 -2.173 1.00 0.00 O ATOM 1612 CB ASN A 105 20.570 11.330 -0.053 1.00 0.00 C ATOM 1613 CG ASN A 105 20.094 10.162 0.813 1.00 0.00 C ATOM 1614 OD1 ASN A 105 20.867 9.328 1.256 1.00 0.00 O ATOM 1615 ND2 ASN A 105 18.782 10.148 1.028 1.00 0.00 N ATOM 0 H ASN A 105 21.381 12.543 -2.096 1.00 0.00 H new ATOM 0 HA ASN A 105 22.689 10.951 -0.084 1.00 0.00 H new ATOM 0 HB2 ASN A 105 20.735 12.207 0.572 1.00 0.00 H new ATOM 0 HB3 ASN A 105 19.795 11.593 -0.773 1.00 0.00 H new ATOM 0 HD21 ASN A 105 18.366 9.408 1.594 1.00 0.00 H new ATOM 0 HD22 ASN A 105 18.192 10.877 0.627 1.00 0.00 H new ATOM 1622 N SER A 106 22.609 8.718 -1.194 1.00 0.00 N ATOM 1623 CA SER A 106 22.551 7.379 -1.757 1.00 0.00 C ATOM 1624 C SER A 106 22.845 6.342 -0.671 1.00 0.00 C ATOM 1625 O SER A 106 23.685 6.569 0.198 1.00 0.00 O ATOM 1626 CB SER A 106 23.537 7.227 -2.917 1.00 0.00 C ATOM 1627 OG SER A 106 22.948 6.570 -4.036 1.00 0.00 O ATOM 0 H SER A 106 23.419 8.897 -0.600 1.00 0.00 H new ATOM 0 HA SER A 106 21.546 7.214 -2.146 1.00 0.00 H new ATOM 0 HB2 SER A 106 23.894 8.211 -3.221 1.00 0.00 H new ATOM 0 HB3 SER A 106 24.407 6.662 -2.582 1.00 0.00 H new ATOM 0 HG SER A 106 23.609 6.494 -4.756 1.00 0.00 H new ATOM 1633 N GLN A 107 22.137 5.226 -0.757 1.00 0.00 N ATOM 1634 CA GLN A 107 22.311 4.153 0.207 1.00 0.00 C ATOM 1635 C GLN A 107 23.783 3.742 0.284 1.00 0.00 C ATOM 1636 O GLN A 107 24.541 3.955 -0.662 1.00 0.00 O ATOM 1637 CB GLN A 107 21.425 2.955 -0.139 1.00 0.00 C ATOM 1638 CG GLN A 107 21.861 2.313 -1.458 1.00 0.00 C ATOM 1639 CD GLN A 107 21.229 0.930 -1.630 1.00 0.00 C ATOM 1640 OE1 GLN A 107 20.245 0.751 -2.328 1.00 0.00 O ATOM 1641 NE2 GLN A 107 21.849 -0.034 -0.956 1.00 0.00 N ATOM 0 H GLN A 107 21.441 5.041 -1.480 1.00 0.00 H new ATOM 0 HA GLN A 107 22.004 4.519 1.187 1.00 0.00 H new ATOM 0 HB2 GLN A 107 21.475 2.218 0.662 1.00 0.00 H new ATOM 0 HB3 GLN A 107 20.386 3.276 -0.213 1.00 0.00 H new ATOM 0 HG2 GLN A 107 21.574 2.954 -2.291 1.00 0.00 H new ATOM 0 HG3 GLN A 107 22.947 2.226 -1.483 1.00 0.00 H new ATOM 0 HE21 GLN A 107 22.669 0.185 -0.390 1.00 0.00 H new ATOM 0 HE22 GLN A 107 21.505 -0.993 -1.005 1.00 0.00 H new ATOM 1650 N GLY A 108 24.144 3.160 1.418 1.00 0.00 N ATOM 1651 CA GLY A 108 25.511 2.717 1.630 1.00 0.00 C ATOM 1652 C GLY A 108 25.690 2.146 3.038 1.00 0.00 C ATOM 1653 O GLY A 108 25.768 2.896 4.011 1.00 0.00 O ATOM 0 H GLY A 108 23.513 2.985 2.200 1.00 0.00 H new ATOM 0 HA2 GLY A 108 25.770 1.959 0.891 1.00 0.00 H new ATOM 0 HA3 GLY A 108 26.195 3.553 1.483 1.00 0.00 H new ATOM 1657 N GLN A 109 25.750 0.824 3.103 1.00 0.00 N ATOM 1658 CA GLN A 109 25.919 0.144 4.376 1.00 0.00 C ATOM 1659 C GLN A 109 26.023 -1.367 4.160 1.00 0.00 C ATOM 1660 O GLN A 109 25.219 -2.130 4.694 1.00 0.00 O ATOM 1661 CB GLN A 109 24.777 0.484 5.335 1.00 0.00 C ATOM 1662 CG GLN A 109 23.436 -0.008 4.787 1.00 0.00 C ATOM 1663 CD GLN A 109 22.408 1.126 4.751 1.00 0.00 C ATOM 1664 OE1 GLN A 109 22.678 2.229 4.306 1.00 0.00 O ATOM 1665 NE2 GLN A 109 21.219 0.793 5.244 1.00 0.00 N ATOM 0 H GLN A 109 25.685 0.206 2.295 1.00 0.00 H new ATOM 0 HA GLN A 109 26.847 0.491 4.831 1.00 0.00 H new ATOM 0 HB2 GLN A 109 24.966 0.028 6.307 1.00 0.00 H new ATOM 0 HB3 GLN A 109 24.737 1.562 5.491 1.00 0.00 H new ATOM 0 HG2 GLN A 109 23.575 -0.410 3.783 1.00 0.00 H new ATOM 0 HG3 GLN A 109 23.062 -0.823 5.408 1.00 0.00 H new ATOM 0 HE21 GLN A 109 21.061 -0.149 5.601 1.00 0.00 H new ATOM 0 HE22 GLN A 109 20.465 1.480 5.265 1.00 0.00 H new ATOM 1674 N ARG A 110 27.018 -1.754 3.377 1.00 0.00 N ATOM 1675 CA ARG A 110 27.237 -3.161 3.084 1.00 0.00 C ATOM 1676 C ARG A 110 27.913 -3.851 4.271 1.00 0.00 C ATOM 1677 O ARG A 110 29.093 -3.626 4.534 1.00 0.00 O ATOM 1678 CB ARG A 110 28.108 -3.335 1.838 1.00 0.00 C ATOM 1679 CG ARG A 110 27.928 -4.729 1.235 1.00 0.00 C ATOM 1680 CD ARG A 110 28.754 -5.767 1.997 1.00 0.00 C ATOM 1681 NE ARG A 110 29.329 -6.751 1.052 1.00 0.00 N ATOM 1682 CZ ARG A 110 28.645 -7.778 0.529 1.00 0.00 C ATOM 1683 NH1 ARG A 110 27.359 -7.963 0.856 1.00 0.00 N ATOM 1684 NH2 ARG A 110 29.249 -8.620 -0.321 1.00 0.00 N ATOM 0 H ARG A 110 27.682 -1.118 2.936 1.00 0.00 H new ATOM 0 HA ARG A 110 26.264 -3.617 2.900 1.00 0.00 H new ATOM 0 HB2 ARG A 110 27.847 -2.578 1.098 1.00 0.00 H new ATOM 0 HB3 ARG A 110 29.155 -3.179 2.097 1.00 0.00 H new ATOM 0 HG2 ARG A 110 26.874 -5.007 1.261 1.00 0.00 H new ATOM 0 HG3 ARG A 110 28.229 -4.718 0.187 1.00 0.00 H new ATOM 0 HD2 ARG A 110 29.552 -5.273 2.551 1.00 0.00 H new ATOM 0 HD3 ARG A 110 28.127 -6.277 2.729 1.00 0.00 H new ATOM 0 HE ARG A 110 30.306 -6.640 0.782 1.00 0.00 H new ATOM 0 HH11 ARG A 110 26.900 -7.322 1.503 1.00 0.00 H new ATOM 0 HH12 ARG A 110 26.839 -8.745 0.458 1.00 0.00 H new ATOM 0 HH21 ARG A 110 30.228 -8.479 -0.569 1.00 0.00 H new ATOM 0 HH22 ARG A 110 28.729 -9.402 -0.720 1.00 0.00 H new ATOM 1698 N SER A 111 27.136 -4.677 4.955 1.00 0.00 N ATOM 1699 CA SER A 111 27.644 -5.401 6.107 1.00 0.00 C ATOM 1700 C SER A 111 26.574 -6.356 6.640 1.00 0.00 C ATOM 1701 O SER A 111 25.387 -6.034 6.624 1.00 0.00 O ATOM 1702 CB SER A 111 28.093 -4.439 7.209 1.00 0.00 C ATOM 1703 OG SER A 111 28.499 -5.129 8.388 1.00 0.00 O ATOM 0 H SER A 111 26.158 -4.861 4.733 1.00 0.00 H new ATOM 0 HA SER A 111 28.512 -5.979 5.791 1.00 0.00 H new ATOM 0 HB2 SER A 111 28.919 -3.829 6.843 1.00 0.00 H new ATOM 0 HB3 SER A 111 27.277 -3.758 7.450 1.00 0.00 H new ATOM 0 HG SER A 111 28.780 -4.480 9.067 1.00 0.00 H new ATOM 1709 N GLY A 112 27.032 -7.511 7.099 1.00 0.00 N ATOM 1710 CA GLY A 112 26.128 -8.515 7.635 1.00 0.00 C ATOM 1711 C GLY A 112 26.174 -8.533 9.164 1.00 0.00 C ATOM 1712 O GLY A 112 27.148 -8.997 9.754 1.00 0.00 O ATOM 0 H GLY A 112 28.017 -7.774 7.111 1.00 0.00 H new ATOM 0 HA2 GLY A 112 25.111 -8.310 7.301 1.00 0.00 H new ATOM 0 HA3 GLY A 112 26.399 -9.497 7.248 1.00 0.00 H new ATOM 1716 N PRO A 113 25.080 -8.007 9.778 1.00 0.00 N ATOM 1717 CA PRO A 113 24.986 -7.959 11.227 1.00 0.00 C ATOM 1718 C PRO A 113 24.688 -9.344 11.804 1.00 0.00 C ATOM 1719 O PRO A 113 24.630 -10.328 11.068 1.00 0.00 O ATOM 1720 CB PRO A 113 23.890 -6.946 11.517 1.00 0.00 C ATOM 1721 CG PRO A 113 23.096 -6.811 10.228 1.00 0.00 C ATOM 1722 CD PRO A 113 23.908 -7.448 9.111 1.00 0.00 C ATOM 0 HA PRO A 113 25.922 -7.660 11.699 1.00 0.00 H new ATOM 0 HB2 PRO A 113 23.253 -7.283 12.335 1.00 0.00 H new ATOM 0 HB3 PRO A 113 24.313 -5.988 11.817 1.00 0.00 H new ATOM 0 HG2 PRO A 113 22.127 -7.302 10.323 1.00 0.00 H new ATOM 0 HG3 PRO A 113 22.901 -5.761 10.008 1.00 0.00 H new ATOM 0 HD2 PRO A 113 23.337 -8.222 8.598 1.00 0.00 H new ATOM 0 HD3 PRO A 113 24.193 -6.712 8.359 1.00 0.00 H new ATOM 1730 N SER A 114 24.506 -9.377 13.116 1.00 0.00 N ATOM 1731 CA SER A 114 24.215 -10.625 13.800 1.00 0.00 C ATOM 1732 C SER A 114 23.783 -10.344 15.241 1.00 0.00 C ATOM 1733 O SER A 114 24.381 -9.511 15.921 1.00 0.00 O ATOM 1734 CB SER A 114 25.426 -11.559 13.782 1.00 0.00 C ATOM 1735 OG SER A 114 25.130 -12.829 14.356 1.00 0.00 O ATOM 0 H SER A 114 24.555 -8.559 13.723 1.00 0.00 H new ATOM 0 HA SER A 114 23.400 -11.121 13.273 1.00 0.00 H new ATOM 0 HB2 SER A 114 25.763 -11.695 12.754 1.00 0.00 H new ATOM 0 HB3 SER A 114 26.248 -11.097 14.329 1.00 0.00 H new ATOM 0 HG SER A 114 25.928 -13.397 14.324 1.00 0.00 H new ATOM 1741 N SER A 115 22.748 -11.054 15.664 1.00 0.00 N ATOM 1742 CA SER A 115 22.229 -10.892 17.012 1.00 0.00 C ATOM 1743 C SER A 115 21.379 -12.105 17.395 1.00 0.00 C ATOM 1744 O SER A 115 21.082 -12.950 16.553 1.00 0.00 O ATOM 1745 CB SER A 115 21.407 -9.607 17.134 1.00 0.00 C ATOM 1746 OG SER A 115 21.927 -8.733 18.131 1.00 0.00 O ATOM 0 H SER A 115 22.254 -11.743 15.097 1.00 0.00 H new ATOM 0 HA SER A 115 23.073 -10.818 17.697 1.00 0.00 H new ATOM 0 HB2 SER A 115 21.393 -9.093 16.173 1.00 0.00 H new ATOM 0 HB3 SER A 115 20.374 -9.859 17.376 1.00 0.00 H new ATOM 0 HG SER A 115 21.376 -7.924 18.177 1.00 0.00 H new ATOM 1752 N GLY A 116 21.013 -12.152 18.668 1.00 0.00 N ATOM 1753 CA GLY A 116 20.203 -13.247 19.173 1.00 0.00 C ATOM 1754 C GLY A 116 20.614 -13.620 20.600 1.00 0.00 C ATOM 1755 O GLY A 116 20.585 -12.779 21.497 1.00 0.00 O ATOM 0 H GLY A 116 21.263 -11.450 19.364 1.00 0.00 H new ATOM 0 HA2 GLY A 116 19.151 -12.964 19.156 1.00 0.00 H new ATOM 0 HA3 GLY A 116 20.310 -14.114 18.521 1.00 0.00 H new TER 1759 GLY A 116