USER MOD reduce.3.24.130724 H: found=0, std=0, add=818, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 821 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: B 208 LYS NZ :NH3+ -175:sc= -0.267! (180deg=-0.788!) USER MOD Set 1.2: B 209 THR OG1 : rot 6:sc= 0.871 USER MOD Set 2.1: A 29 LYS NZ :NH3+ -114:sc= 0.843 (180deg=-0.396) USER MOD Set 2.2: A 74 CYS SG : rot -20:sc= 0.413 USER MOD Single : A 1 SER N :NH3+ -174:sc= -0.0388 (180deg=-0.119) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0941) USER MOD Single : A 7 CYS SG : rot -61:sc= -1.26 USER MOD Single : A 8 LYS NZ :NH3+ 164:sc= -0.0508 (180deg=-0.319) USER MOD Single : A 10 MET CE :methyl 151:sc= -0.214 (180deg=-1.07) USER MOD Single : A 11 SER OG : rot -82:sc= 1.2 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 166:sc= 1.29 (180deg=1.16) USER MOD Single : A 17 GLN : amide:sc= -0.105 K(o=-0.11,f=-1.3) USER MOD Single : A 19 SER OG : rot 180:sc= -1.32 USER MOD Single : A 23 ASN : amide:sc=-0.00316 X(o=-0.0032,f=-0.08) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 38 GLN : amide:sc= -0.456 K(o=-0.46,f=-3!) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= 0 K(o=0,f=-0.7) USER MOD Single : A 47 SER OG : rot 89:sc= 0.81 USER MOD Single : A 48 ASN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 58 THR OG1 : rot -15:sc= -0.813 USER MOD Single : A 60 LYS NZ :NH3+ -174:sc= 1.86 (180deg=1.81) USER MOD Single : A 62 SER OG : rot 180:sc= 0.0705 USER MOD Single : A 63 THR OG1 : rot 163:sc= 0.254 USER MOD Single : A 70 TYR OH : rot 163:sc= 0.613 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot -82:sc= 1.32 USER MOD Single : A 77 LYS NZ :NH3+ -168:sc= -0.0211 (180deg=-0.208) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 GLN : amide:sc= -0.121 K(o=-0.12,f=-0.82) USER MOD Single : B 203 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 205 LYS NZ :NH3+ -173:sc= 0.165 (180deg=0.123) USER MOD Single : B 207 THR OG1 : rot 42:sc= 0.06 USER MOD Single : B 211 GLN : amide:sc= -0.0465 X(o=-0.047,f=-0.047) USER MOD Single : B 212 ASN : amide:sc= 0.634 K(o=0.63,f=-0.75) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -14.655 -8.536 -13.434 1.00 0.00 N ATOM 2 CA SER A 1 -13.618 -7.529 -13.749 1.00 0.00 C ATOM 3 C SER A 1 -13.951 -6.168 -13.131 1.00 0.00 C ATOM 4 O SER A 1 -13.067 -5.336 -12.930 1.00 0.00 O ATOM 5 CB SER A 1 -13.479 -7.393 -15.266 1.00 0.00 C ATOM 6 OG SER A 1 -13.217 -8.652 -15.867 1.00 0.00 O ATOM 0 H1 SER A 1 -14.350 -9.468 -13.780 1.00 0.00 H new ATOM 0 H2 SER A 1 -14.797 -8.578 -12.405 1.00 0.00 H new ATOM 0 H3 SER A 1 -15.548 -8.271 -13.896 1.00 0.00 H new ATOM 0 HA SER A 1 -12.674 -7.868 -13.321 1.00 0.00 H new ATOM 0 HB2 SER A 1 -14.393 -6.970 -15.682 1.00 0.00 H new ATOM 0 HB3 SER A 1 -12.672 -6.699 -15.500 1.00 0.00 H new ATOM 0 HG SER A 1 -13.134 -8.540 -16.837 1.00 0.00 H new ATOM 14 N GLU A 2 -15.221 -5.943 -12.818 1.00 0.00 N ATOM 15 CA GLU A 2 -15.656 -4.648 -12.304 1.00 0.00 C ATOM 16 C GLU A 2 -15.779 -4.653 -10.779 1.00 0.00 C ATOM 17 O GLU A 2 -15.941 -3.600 -10.164 1.00 0.00 O ATOM 18 CB GLU A 2 -16.990 -4.242 -12.933 1.00 0.00 C ATOM 19 CG GLU A 2 -16.948 -4.184 -14.452 1.00 0.00 C ATOM 20 CD GLU A 2 -18.253 -3.711 -15.058 1.00 0.00 C ATOM 21 OE1 GLU A 2 -19.163 -4.545 -15.246 1.00 0.00 O ATOM 22 OE2 GLU A 2 -18.373 -2.506 -15.360 1.00 0.00 O ATOM 0 H GLU A 2 -15.965 -6.635 -12.910 1.00 0.00 H new ATOM 0 HA GLU A 2 -14.893 -3.919 -12.576 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -17.759 -4.950 -12.625 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -17.283 -3.266 -12.547 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -16.145 -3.516 -14.763 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -16.709 -5.173 -14.842 1.00 0.00 H new ATOM 29 N GLU A 3 -15.681 -5.831 -10.166 1.00 0.00 N ATOM 30 CA GLU A 3 -15.846 -5.954 -8.716 1.00 0.00 C ATOM 31 C GLU A 3 -14.741 -5.226 -7.962 1.00 0.00 C ATOM 32 O GLU A 3 -14.907 -4.862 -6.798 1.00 0.00 O ATOM 33 CB GLU A 3 -15.857 -7.420 -8.288 1.00 0.00 C ATOM 34 CG GLU A 3 -17.006 -8.224 -8.863 1.00 0.00 C ATOM 35 CD GLU A 3 -16.991 -9.654 -8.375 1.00 0.00 C ATOM 36 OE1 GLU A 3 -16.255 -10.475 -8.962 1.00 0.00 O ATOM 37 OE2 GLU A 3 -17.697 -9.960 -7.393 1.00 0.00 O ATOM 0 H GLU A 3 -15.489 -6.710 -10.646 1.00 0.00 H new ATOM 0 HA GLU A 3 -16.803 -5.496 -8.469 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -14.917 -7.882 -8.590 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -15.902 -7.469 -7.200 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -17.951 -7.756 -8.587 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -16.950 -8.211 -9.951 1.00 0.00 H new ATOM 44 N GLU A 4 -13.613 -5.016 -8.625 1.00 0.00 N ATOM 45 CA GLU A 4 -12.480 -4.332 -8.000 1.00 0.00 C ATOM 46 C GLU A 4 -12.744 -2.831 -7.900 1.00 0.00 C ATOM 47 O GLU A 4 -12.266 -2.166 -6.981 1.00 0.00 O ATOM 48 CB GLU A 4 -11.180 -4.591 -8.770 1.00 0.00 C ATOM 49 CG GLU A 4 -11.256 -4.192 -10.233 1.00 0.00 C ATOM 50 CD GLU A 4 -9.932 -4.343 -10.937 1.00 0.00 C ATOM 51 OE1 GLU A 4 -9.662 -5.434 -11.473 1.00 0.00 O ATOM 52 OE2 GLU A 4 -9.149 -3.374 -10.948 1.00 0.00 O ATOM 0 H GLU A 4 -13.454 -5.306 -9.590 1.00 0.00 H new ATOM 0 HA GLU A 4 -12.365 -4.735 -6.994 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -10.368 -4.042 -8.293 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -10.931 -5.650 -8.702 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -12.004 -4.805 -10.736 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -11.589 -3.157 -10.308 1.00 0.00 H new ATOM 59 N ASP A 5 -13.510 -2.303 -8.849 1.00 0.00 N ATOM 60 CA ASP A 5 -13.898 -0.899 -8.819 1.00 0.00 C ATOM 61 C ASP A 5 -15.182 -0.746 -8.016 1.00 0.00 C ATOM 62 O ASP A 5 -15.562 0.359 -7.633 1.00 0.00 O ATOM 63 CB ASP A 5 -14.080 -0.327 -10.237 1.00 0.00 C ATOM 64 CG ASP A 5 -12.787 -0.286 -11.028 1.00 0.00 C ATOM 65 OD1 ASP A 5 -11.962 0.622 -10.784 1.00 0.00 O ATOM 66 OD2 ASP A 5 -12.592 -1.149 -11.911 1.00 0.00 O ATOM 0 H ASP A 5 -13.873 -2.825 -9.646 1.00 0.00 H new ATOM 0 HA ASP A 5 -13.098 -0.333 -8.343 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -14.810 -0.931 -10.776 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -14.489 0.681 -10.167 1.00 0.00 H new ATOM 71 N LYS A 6 -15.842 -1.872 -7.761 1.00 0.00 N ATOM 72 CA LYS A 6 -17.077 -1.887 -6.994 1.00 0.00 C ATOM 73 C LYS A 6 -16.805 -2.507 -5.626 1.00 0.00 C ATOM 74 O LYS A 6 -17.649 -3.196 -5.047 1.00 0.00 O ATOM 75 CB LYS A 6 -18.149 -2.682 -7.750 1.00 0.00 C ATOM 76 CG LYS A 6 -19.573 -2.451 -7.247 1.00 0.00 C ATOM 77 CD LYS A 6 -20.044 -1.026 -7.515 1.00 0.00 C ATOM 78 CE LYS A 6 -20.110 -0.716 -9.006 1.00 0.00 C ATOM 79 NZ LYS A 6 -21.114 -1.556 -9.715 1.00 0.00 N ATOM 0 H LYS A 6 -15.536 -2.792 -8.079 1.00 0.00 H new ATOM 0 HA LYS A 6 -17.443 -0.870 -6.856 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -18.102 -2.419 -8.807 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -17.917 -3.744 -7.675 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -20.249 -3.155 -7.733 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -19.618 -2.653 -6.177 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -21.029 -0.880 -7.071 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -19.368 -0.323 -7.028 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -20.357 0.336 -9.145 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -19.128 -0.874 -9.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -21.233 -1.208 -10.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -20.787 -2.543 -9.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -22.025 -1.504 -9.216 1.00 0.00 H new ATOM 93 N CYS A 7 -15.601 -2.269 -5.129 1.00 0.00 N ATOM 94 CA CYS A 7 -15.168 -2.832 -3.857 1.00 0.00 C ATOM 95 C CYS A 7 -15.601 -1.937 -2.706 1.00 0.00 C ATOM 96 O CYS A 7 -15.660 -0.712 -2.844 1.00 0.00 O ATOM 97 CB CYS A 7 -13.647 -3.006 -3.835 1.00 0.00 C ATOM 98 SG CYS A 7 -13.044 -4.033 -2.476 1.00 0.00 S ATOM 0 H CYS A 7 -14.902 -1.686 -5.590 1.00 0.00 H new ATOM 0 HA CYS A 7 -15.635 -3.810 -3.741 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -13.328 -3.447 -4.779 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -13.180 -2.023 -3.769 1.00 0.00 H new ATOM 0 HG CYS A 7 -13.368 -3.486 -1.342 1.00 0.00 H new ATOM 104 N LYS A 8 -15.917 -2.556 -1.579 1.00 0.00 N ATOM 105 CA LYS A 8 -16.312 -1.829 -0.384 1.00 0.00 C ATOM 106 C LYS A 8 -15.091 -1.542 0.487 1.00 0.00 C ATOM 107 O LYS A 8 -14.097 -2.268 0.424 1.00 0.00 O ATOM 108 CB LYS A 8 -17.350 -2.633 0.406 1.00 0.00 C ATOM 109 CG LYS A 8 -18.776 -2.485 -0.108 1.00 0.00 C ATOM 110 CD LYS A 8 -18.947 -3.024 -1.520 1.00 0.00 C ATOM 111 CE LYS A 8 -20.365 -2.815 -2.030 1.00 0.00 C ATOM 112 NZ LYS A 8 -20.739 -1.375 -2.068 1.00 0.00 N ATOM 0 H LYS A 8 -15.907 -3.570 -1.468 1.00 0.00 H new ATOM 0 HA LYS A 8 -16.758 -0.881 -0.683 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -17.074 -3.687 0.380 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -17.318 -2.321 1.450 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -19.456 -3.010 0.562 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -19.058 -1.432 -0.088 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -18.243 -2.528 -2.188 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -18.707 -4.087 -1.536 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -20.457 -3.240 -3.030 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -21.063 -3.354 -1.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -21.584 -1.251 -2.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -20.941 -1.043 -1.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -19.953 -0.823 -2.466 1.00 0.00 H new ATOM 126 N PRO A 9 -15.138 -0.468 1.297 1.00 0.00 N ATOM 127 CA PRO A 9 -14.029 -0.091 2.173 1.00 0.00 C ATOM 128 C PRO A 9 -13.753 -1.132 3.244 1.00 0.00 C ATOM 129 O PRO A 9 -14.676 -1.727 3.804 1.00 0.00 O ATOM 130 CB PRO A 9 -14.486 1.205 2.841 1.00 0.00 C ATOM 131 CG PRO A 9 -15.663 1.677 2.058 1.00 0.00 C ATOM 132 CD PRO A 9 -16.272 0.460 1.422 1.00 0.00 C ATOM 0 HA PRO A 9 -13.107 0.009 1.601 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -14.754 1.033 3.883 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -13.689 1.949 2.835 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -16.383 2.177 2.705 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -15.360 2.399 1.300 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -17.067 0.041 2.038 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -16.710 0.691 0.451 1.00 0.00 H new ATOM 140 N MET A 10 -12.480 -1.346 3.523 1.00 0.00 N ATOM 141 CA MET A 10 -12.078 -2.220 4.606 1.00 0.00 C ATOM 142 C MET A 10 -12.052 -1.430 5.911 1.00 0.00 C ATOM 143 O MET A 10 -11.936 -0.204 5.896 1.00 0.00 O ATOM 144 CB MET A 10 -10.715 -2.853 4.308 1.00 0.00 C ATOM 145 CG MET A 10 -9.612 -1.853 4.030 1.00 0.00 C ATOM 146 SD MET A 10 -8.030 -2.647 3.696 1.00 0.00 S ATOM 147 CE MET A 10 -8.461 -3.742 2.342 1.00 0.00 C ATOM 0 H MET A 10 -11.705 -0.924 3.011 1.00 0.00 H new ATOM 0 HA MET A 10 -12.799 -3.031 4.705 1.00 0.00 H new ATOM 0 HB2 MET A 10 -10.422 -3.473 5.155 1.00 0.00 H new ATOM 0 HB3 MET A 10 -10.815 -3.515 3.448 1.00 0.00 H new ATOM 0 HG2 MET A 10 -9.892 -1.235 3.177 1.00 0.00 H new ATOM 0 HG3 MET A 10 -9.507 -1.186 4.885 1.00 0.00 H new ATOM 0 HE1 MET A 10 -7.588 -3.898 1.708 1.00 0.00 H new ATOM 0 HE2 MET A 10 -8.796 -4.700 2.741 1.00 0.00 H new ATOM 0 HE3 MET A 10 -9.262 -3.295 1.753 1.00 0.00 H new ATOM 157 N SER A 11 -12.179 -2.133 7.025 1.00 0.00 N ATOM 158 CA SER A 11 -12.326 -1.499 8.331 1.00 0.00 C ATOM 159 C SER A 11 -11.011 -0.905 8.840 1.00 0.00 C ATOM 160 O SER A 11 -9.969 -1.046 8.195 1.00 0.00 O ATOM 161 CB SER A 11 -12.872 -2.512 9.338 1.00 0.00 C ATOM 162 OG SER A 11 -12.047 -3.663 9.401 1.00 0.00 O ATOM 0 H SER A 11 -12.183 -3.153 7.053 1.00 0.00 H new ATOM 0 HA SER A 11 -13.029 -0.673 8.219 1.00 0.00 H new ATOM 0 HB2 SER A 11 -12.935 -2.052 10.324 1.00 0.00 H new ATOM 0 HB3 SER A 11 -13.884 -2.801 9.056 1.00 0.00 H new ATOM 0 HG SER A 11 -12.272 -4.268 8.663 1.00 0.00 H new ATOM 168 N TYR A 12 -11.065 -0.257 10.003 1.00 0.00 N ATOM 169 CA TYR A 12 -9.887 0.385 10.591 1.00 0.00 C ATOM 170 C TYR A 12 -8.780 -0.641 10.837 1.00 0.00 C ATOM 171 O TYR A 12 -7.608 -0.378 10.555 1.00 0.00 O ATOM 172 CB TYR A 12 -10.275 1.094 11.897 1.00 0.00 C ATOM 173 CG TYR A 12 -9.203 2.008 12.458 1.00 0.00 C ATOM 174 CD1 TYR A 12 -8.092 1.493 13.108 1.00 0.00 C ATOM 175 CD2 TYR A 12 -9.317 3.387 12.350 1.00 0.00 C ATOM 176 CE1 TYR A 12 -7.121 2.325 13.633 1.00 0.00 C ATOM 177 CE2 TYR A 12 -8.351 4.227 12.869 1.00 0.00 C ATOM 178 CZ TYR A 12 -7.255 3.693 13.511 1.00 0.00 C ATOM 179 OH TYR A 12 -6.289 4.527 14.031 1.00 0.00 O ATOM 0 H TYR A 12 -11.915 -0.162 10.559 1.00 0.00 H new ATOM 0 HA TYR A 12 -9.505 1.128 9.891 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -11.179 1.678 11.724 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -10.521 0.341 12.646 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -7.983 0.423 13.206 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -10.176 3.811 11.851 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -6.262 1.907 14.136 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -8.454 5.298 12.772 1.00 0.00 H new ATOM 0 HH TYR A 12 -6.535 5.460 13.859 1.00 0.00 H new ATOM 189 N GLU A 13 -9.162 -1.818 11.335 1.00 0.00 N ATOM 190 CA GLU A 13 -8.206 -2.888 11.606 1.00 0.00 C ATOM 191 C GLU A 13 -7.476 -3.258 10.317 1.00 0.00 C ATOM 192 O GLU A 13 -6.249 -3.367 10.289 1.00 0.00 O ATOM 193 CB GLU A 13 -8.938 -4.110 12.182 1.00 0.00 C ATOM 194 CG GLU A 13 -8.043 -5.109 12.919 1.00 0.00 C ATOM 195 CD GLU A 13 -7.141 -5.921 12.005 1.00 0.00 C ATOM 196 OE1 GLU A 13 -7.656 -6.806 11.289 1.00 0.00 O ATOM 197 OE2 GLU A 13 -5.914 -5.696 12.022 1.00 0.00 O ATOM 0 H GLU A 13 -10.129 -2.053 11.559 1.00 0.00 H new ATOM 0 HA GLU A 13 -7.475 -2.547 12.339 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -9.711 -3.762 12.867 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -9.444 -4.629 11.368 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -7.425 -4.568 13.635 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -8.672 -5.791 13.492 1.00 0.00 H new ATOM 204 N GLU A 14 -8.245 -3.387 9.242 1.00 0.00 N ATOM 205 CA GLU A 14 -7.714 -3.827 7.956 1.00 0.00 C ATOM 206 C GLU A 14 -6.826 -2.753 7.331 1.00 0.00 C ATOM 207 O GLU A 14 -5.738 -3.050 6.846 1.00 0.00 O ATOM 208 CB GLU A 14 -8.861 -4.189 7.014 1.00 0.00 C ATOM 209 CG GLU A 14 -9.640 -5.422 7.448 1.00 0.00 C ATOM 210 CD GLU A 14 -10.943 -5.581 6.698 1.00 0.00 C ATOM 211 OE1 GLU A 14 -11.924 -4.886 7.048 1.00 0.00 O ATOM 212 OE2 GLU A 14 -10.998 -6.396 5.757 1.00 0.00 O ATOM 0 H GLU A 14 -9.246 -3.192 9.236 1.00 0.00 H new ATOM 0 HA GLU A 14 -7.100 -4.712 8.123 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -9.545 -3.343 6.946 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -8.460 -4.356 6.014 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -9.025 -6.309 7.293 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -9.846 -5.360 8.517 1.00 0.00 H new ATOM 219 N LYS A 15 -7.296 -1.507 7.350 1.00 0.00 N ATOM 220 CA LYS A 15 -6.510 -0.376 6.862 1.00 0.00 C ATOM 221 C LYS A 15 -5.175 -0.285 7.598 1.00 0.00 C ATOM 222 O LYS A 15 -4.128 -0.061 6.991 1.00 0.00 O ATOM 223 CB LYS A 15 -7.290 0.925 7.044 1.00 0.00 C ATOM 224 CG LYS A 15 -8.434 1.095 6.062 1.00 0.00 C ATOM 225 CD LYS A 15 -9.399 2.180 6.516 1.00 0.00 C ATOM 226 CE LYS A 15 -9.930 2.978 5.340 1.00 0.00 C ATOM 227 NZ LYS A 15 -10.912 4.005 5.773 1.00 0.00 N ATOM 0 H LYS A 15 -8.221 -1.255 7.699 1.00 0.00 H new ATOM 0 HA LYS A 15 -6.312 -0.532 5.801 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -7.686 0.961 8.059 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -6.605 1.766 6.939 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -8.037 1.347 5.079 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -8.969 0.151 5.957 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -10.231 1.727 7.055 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -8.894 2.849 7.213 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -9.101 3.462 4.824 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -10.400 2.303 4.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -11.074 4.679 4.998 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -11.810 3.543 6.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -10.541 4.513 6.601 1.00 0.00 H new ATOM 241 N ARG A 16 -5.227 -0.462 8.909 1.00 0.00 N ATOM 242 CA ARG A 16 -4.026 -0.445 9.735 1.00 0.00 C ATOM 243 C ARG A 16 -3.108 -1.614 9.390 1.00 0.00 C ATOM 244 O ARG A 16 -1.897 -1.441 9.260 1.00 0.00 O ATOM 245 CB ARG A 16 -4.399 -0.492 11.215 1.00 0.00 C ATOM 246 CG ARG A 16 -3.200 -0.478 12.142 1.00 0.00 C ATOM 247 CD ARG A 16 -3.459 -1.324 13.374 1.00 0.00 C ATOM 248 NE ARG A 16 -3.831 -2.701 13.033 1.00 0.00 N ATOM 249 CZ ARG A 16 -3.237 -3.787 13.532 1.00 0.00 C ATOM 250 NH1 ARG A 16 -2.197 -3.672 14.348 1.00 0.00 N ATOM 251 NH2 ARG A 16 -3.687 -4.994 13.209 1.00 0.00 N ATOM 0 H ARG A 16 -6.091 -0.620 9.427 1.00 0.00 H new ATOM 0 HA ARG A 16 -3.491 0.483 9.533 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -5.038 0.360 11.448 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -4.985 -1.391 11.405 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -2.323 -0.855 11.615 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -2.977 0.547 12.440 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -2.566 -1.335 13.999 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -4.255 -0.870 13.964 1.00 0.00 H new ATOM 0 HE ARG A 16 -4.594 -2.838 12.370 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -1.845 -2.748 14.599 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -1.749 -4.508 14.725 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -4.485 -5.090 12.581 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -3.235 -5.825 13.589 1.00 0.00 H new ATOM 265 N GLN A 17 -3.687 -2.801 9.242 1.00 0.00 N ATOM 266 CA GLN A 17 -2.923 -3.983 8.882 1.00 0.00 C ATOM 267 C GLN A 17 -2.298 -3.821 7.504 1.00 0.00 C ATOM 268 O GLN A 17 -1.249 -4.387 7.222 1.00 0.00 O ATOM 269 CB GLN A 17 -3.816 -5.223 8.921 1.00 0.00 C ATOM 270 CG GLN A 17 -3.063 -6.511 8.664 1.00 0.00 C ATOM 271 CD GLN A 17 -1.979 -6.769 9.689 1.00 0.00 C ATOM 272 OE1 GLN A 17 -2.089 -6.373 10.848 1.00 0.00 O ATOM 273 NE2 GLN A 17 -0.919 -7.431 9.266 1.00 0.00 N ATOM 0 H GLN A 17 -4.686 -2.967 9.367 1.00 0.00 H new ATOM 0 HA GLN A 17 -2.120 -4.108 9.608 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -4.302 -5.282 9.895 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -4.606 -5.117 8.177 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -3.766 -7.344 8.667 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -2.616 -6.474 7.670 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -0.866 -7.743 8.296 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -0.153 -7.631 9.909 1.00 0.00 H new ATOM 282 N LEU A 18 -2.940 -3.025 6.669 1.00 0.00 N ATOM 283 CA LEU A 18 -2.446 -2.748 5.326 1.00 0.00 C ATOM 284 C LEU A 18 -1.213 -1.850 5.401 1.00 0.00 C ATOM 285 O LEU A 18 -0.248 -2.014 4.665 1.00 0.00 O ATOM 286 CB LEU A 18 -3.549 -2.079 4.506 1.00 0.00 C ATOM 287 CG LEU A 18 -3.715 -2.568 3.064 1.00 0.00 C ATOM 288 CD1 LEU A 18 -4.984 -2.001 2.465 1.00 0.00 C ATOM 289 CD2 LEU A 18 -2.528 -2.182 2.205 1.00 0.00 C ATOM 0 H LEU A 18 -3.815 -2.553 6.898 1.00 0.00 H new ATOM 0 HA LEU A 18 -2.163 -3.682 4.841 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -4.496 -2.221 5.026 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -3.356 -1.007 4.483 1.00 0.00 H new ATOM 0 HG LEU A 18 -3.776 -3.656 3.088 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -5.092 -2.355 1.440 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -5.841 -2.327 3.054 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -4.934 -0.912 2.469 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -2.681 -2.545 1.189 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -2.427 -1.097 2.191 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -1.621 -2.626 2.617 1.00 0.00 H new ATOM 301 N SER A 19 -1.246 -0.896 6.306 1.00 0.00 N ATOM 302 CA SER A 19 -0.071 -0.088 6.579 1.00 0.00 C ATOM 303 C SER A 19 1.071 -0.986 7.061 1.00 0.00 C ATOM 304 O SER A 19 2.245 -0.752 6.762 1.00 0.00 O ATOM 305 CB SER A 19 -0.405 0.985 7.622 1.00 0.00 C ATOM 306 OG SER A 19 0.709 1.820 7.893 1.00 0.00 O ATOM 0 H SER A 19 -2.067 -0.660 6.864 1.00 0.00 H new ATOM 0 HA SER A 19 0.247 0.414 5.665 1.00 0.00 H new ATOM 0 HB2 SER A 19 -1.237 1.593 7.265 1.00 0.00 H new ATOM 0 HB3 SER A 19 -0.733 0.506 8.544 1.00 0.00 H new ATOM 0 HG SER A 19 0.459 2.493 8.561 1.00 0.00 H new ATOM 312 N LEU A 20 0.702 -2.034 7.783 1.00 0.00 N ATOM 313 CA LEU A 20 1.663 -2.981 8.315 1.00 0.00 C ATOM 314 C LEU A 20 2.154 -3.946 7.237 1.00 0.00 C ATOM 315 O LEU A 20 3.322 -4.335 7.229 1.00 0.00 O ATOM 316 CB LEU A 20 1.037 -3.760 9.469 1.00 0.00 C ATOM 317 CG LEU A 20 0.743 -2.944 10.723 1.00 0.00 C ATOM 318 CD1 LEU A 20 -0.022 -3.797 11.710 1.00 0.00 C ATOM 319 CD2 LEU A 20 2.035 -2.448 11.351 1.00 0.00 C ATOM 0 H LEU A 20 -0.268 -2.249 8.014 1.00 0.00 H new ATOM 0 HA LEU A 20 2.524 -2.420 8.678 1.00 0.00 H new ATOM 0 HB2 LEU A 20 0.106 -4.208 9.121 1.00 0.00 H new ATOM 0 HB3 LEU A 20 1.704 -4.579 9.737 1.00 0.00 H new ATOM 0 HG LEU A 20 0.141 -2.077 10.450 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -0.233 -3.215 12.607 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -0.960 -4.122 11.260 1.00 0.00 H new ATOM 0 HD13 LEU A 20 0.575 -4.670 11.976 1.00 0.00 H new ATOM 0 HD21 LEU A 20 1.806 -1.868 12.245 1.00 0.00 H new ATOM 0 HD22 LEU A 20 2.659 -3.300 11.622 1.00 0.00 H new ATOM 0 HD23 LEU A 20 2.569 -1.820 10.638 1.00 0.00 H new ATOM 331 N ASP A 21 1.269 -4.320 6.320 1.00 0.00 N ATOM 332 CA ASP A 21 1.602 -5.316 5.310 1.00 0.00 C ATOM 333 C ASP A 21 2.482 -4.727 4.204 1.00 0.00 C ATOM 334 O ASP A 21 3.321 -5.428 3.632 1.00 0.00 O ATOM 335 CB ASP A 21 0.338 -5.999 4.753 1.00 0.00 C ATOM 336 CG ASP A 21 -0.649 -5.095 4.057 1.00 0.00 C ATOM 337 OD1 ASP A 21 -0.229 -4.206 3.308 1.00 0.00 O ATOM 338 OD2 ASP A 21 -1.869 -5.329 4.220 1.00 0.00 O ATOM 0 H ASP A 21 0.320 -3.951 6.255 1.00 0.00 H new ATOM 0 HA ASP A 21 2.192 -6.093 5.796 1.00 0.00 H new ATOM 0 HB2 ASP A 21 0.647 -6.775 4.052 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -0.174 -6.498 5.576 1.00 0.00 H new ATOM 343 N ILE A 22 2.321 -3.438 3.927 1.00 0.00 N ATOM 344 CA ILE A 22 3.205 -2.747 2.991 1.00 0.00 C ATOM 345 C ILE A 22 4.569 -2.526 3.628 1.00 0.00 C ATOM 346 O ILE A 22 5.604 -2.604 2.963 1.00 0.00 O ATOM 347 CB ILE A 22 2.608 -1.393 2.547 1.00 0.00 C ATOM 348 CG1 ILE A 22 1.371 -1.631 1.686 1.00 0.00 C ATOM 349 CG2 ILE A 22 3.619 -0.556 1.785 1.00 0.00 C ATOM 350 CD1 ILE A 22 0.442 -0.455 1.647 1.00 0.00 C ATOM 0 H ILE A 22 1.592 -2.852 4.333 1.00 0.00 H new ATOM 0 HA ILE A 22 3.314 -3.375 2.107 1.00 0.00 H new ATOM 0 HB ILE A 22 2.330 -0.839 3.444 1.00 0.00 H new ATOM 0 HG12 ILE A 22 1.684 -1.872 0.670 1.00 0.00 H new ATOM 0 HG13 ILE A 22 0.832 -2.498 2.067 1.00 0.00 H new ATOM 0 HG21 ILE A 22 3.161 0.388 1.490 1.00 0.00 H new ATOM 0 HG22 ILE A 22 4.481 -0.358 2.422 1.00 0.00 H new ATOM 0 HG23 ILE A 22 3.942 -1.096 0.895 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -0.417 -0.690 1.018 1.00 0.00 H new ATOM 0 HD12 ILE A 22 0.101 -0.227 2.657 1.00 0.00 H new ATOM 0 HD13 ILE A 22 0.966 0.409 1.238 1.00 0.00 H new ATOM 362 N ASN A 23 4.556 -2.277 4.931 1.00 0.00 N ATOM 363 CA ASN A 23 5.779 -2.109 5.703 1.00 0.00 C ATOM 364 C ASN A 23 6.639 -3.376 5.639 1.00 0.00 C ATOM 365 O ASN A 23 7.862 -3.319 5.779 1.00 0.00 O ATOM 366 CB ASN A 23 5.418 -1.774 7.153 1.00 0.00 C ATOM 367 CG ASN A 23 6.610 -1.801 8.093 1.00 0.00 C ATOM 368 OD1 ASN A 23 6.935 -2.836 8.679 1.00 0.00 O ATOM 369 ND2 ASN A 23 7.265 -0.662 8.250 1.00 0.00 N ATOM 0 H ASN A 23 3.701 -2.186 5.480 1.00 0.00 H new ATOM 0 HA ASN A 23 6.361 -1.291 5.279 1.00 0.00 H new ATOM 0 HB2 ASN A 23 4.961 -0.785 7.187 1.00 0.00 H new ATOM 0 HB3 ASN A 23 4.670 -2.483 7.507 1.00 0.00 H new ATOM 0 HD21 ASN A 23 8.071 -0.619 8.874 1.00 0.00 H new ATOM 0 HD22 ASN A 23 6.964 0.173 7.747 1.00 0.00 H new ATOM 376 N LYS A 24 5.991 -4.513 5.404 1.00 0.00 N ATOM 377 CA LYS A 24 6.682 -5.797 5.321 1.00 0.00 C ATOM 378 C LYS A 24 7.471 -5.919 4.024 1.00 0.00 C ATOM 379 O LYS A 24 8.581 -6.451 4.011 1.00 0.00 O ATOM 380 CB LYS A 24 5.678 -6.943 5.395 1.00 0.00 C ATOM 381 CG LYS A 24 5.026 -7.118 6.754 1.00 0.00 C ATOM 382 CD LYS A 24 3.950 -8.206 6.694 1.00 0.00 C ATOM 383 CE LYS A 24 3.249 -8.461 8.028 1.00 0.00 C ATOM 384 NZ LYS A 24 2.003 -9.245 7.850 1.00 0.00 N ATOM 0 H LYS A 24 4.982 -4.572 5.267 1.00 0.00 H new ATOM 0 HA LYS A 24 7.373 -5.851 6.162 1.00 0.00 H new ATOM 0 HB2 LYS A 24 4.899 -6.776 4.651 1.00 0.00 H new ATOM 0 HB3 LYS A 24 6.183 -7.871 5.126 1.00 0.00 H new ATOM 0 HG2 LYS A 24 5.780 -7.384 7.495 1.00 0.00 H new ATOM 0 HG3 LYS A 24 4.582 -6.176 7.075 1.00 0.00 H new ATOM 0 HD2 LYS A 24 3.204 -7.924 5.951 1.00 0.00 H new ATOM 0 HD3 LYS A 24 4.406 -9.135 6.351 1.00 0.00 H new ATOM 0 HE2 LYS A 24 3.923 -8.995 8.697 1.00 0.00 H new ATOM 0 HE3 LYS A 24 3.015 -7.509 8.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 1.554 -9.399 8.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 1.350 -8.723 7.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 2.230 -10.164 7.418 1.00 0.00 H new ATOM 398 N LEU A 25 6.882 -5.426 2.941 1.00 0.00 N ATOM 399 CA LEU A 25 7.459 -5.571 1.606 1.00 0.00 C ATOM 400 C LEU A 25 8.866 -4.987 1.524 1.00 0.00 C ATOM 401 O LEU A 25 9.090 -3.835 1.901 1.00 0.00 O ATOM 402 CB LEU A 25 6.579 -4.876 0.570 1.00 0.00 C ATOM 403 CG LEU A 25 5.134 -5.348 0.494 1.00 0.00 C ATOM 404 CD1 LEU A 25 4.493 -4.812 -0.766 1.00 0.00 C ATOM 405 CD2 LEU A 25 5.060 -6.855 0.526 1.00 0.00 C ATOM 0 H LEU A 25 5.998 -4.918 2.960 1.00 0.00 H new ATOM 0 HA LEU A 25 7.515 -6.640 1.400 1.00 0.00 H new ATOM 0 HB2 LEU A 25 6.580 -3.807 0.781 1.00 0.00 H new ATOM 0 HB3 LEU A 25 7.035 -5.008 -0.411 1.00 0.00 H new ATOM 0 HG LEU A 25 4.592 -4.968 1.360 1.00 0.00 H new ATOM 0 HD11 LEU A 25 3.458 -5.150 -0.820 1.00 0.00 H new ATOM 0 HD12 LEU A 25 4.518 -3.722 -0.752 1.00 0.00 H new ATOM 0 HD13 LEU A 25 5.040 -5.176 -1.636 1.00 0.00 H new ATOM 0 HD21 LEU A 25 4.018 -7.169 0.471 1.00 0.00 H new ATOM 0 HD22 LEU A 25 5.608 -7.264 -0.323 1.00 0.00 H new ATOM 0 HD23 LEU A 25 5.501 -7.221 1.453 1.00 0.00 H new ATOM 417 N PRO A 26 9.835 -5.787 1.042 1.00 0.00 N ATOM 418 CA PRO A 26 11.184 -5.299 0.737 1.00 0.00 C ATOM 419 C PRO A 26 11.141 -4.157 -0.272 1.00 0.00 C ATOM 420 O PRO A 26 10.233 -4.109 -1.096 1.00 0.00 O ATOM 421 CB PRO A 26 11.883 -6.521 0.131 1.00 0.00 C ATOM 422 CG PRO A 26 11.120 -7.694 0.638 1.00 0.00 C ATOM 423 CD PRO A 26 9.698 -7.234 0.787 1.00 0.00 C ATOM 0 HA PRO A 26 11.693 -4.905 1.616 1.00 0.00 H new ATOM 0 HB2 PRO A 26 11.870 -6.483 -0.958 1.00 0.00 H new ATOM 0 HB3 PRO A 26 12.928 -6.569 0.436 1.00 0.00 H new ATOM 0 HG2 PRO A 26 11.188 -8.532 -0.056 1.00 0.00 H new ATOM 0 HG3 PRO A 26 11.521 -8.037 1.592 1.00 0.00 H new ATOM 0 HD2 PRO A 26 9.115 -7.431 -0.113 1.00 0.00 H new ATOM 0 HD3 PRO A 26 9.195 -7.742 1.610 1.00 0.00 H new ATOM 431 N GLY A 27 12.130 -3.261 -0.205 1.00 0.00 N ATOM 432 CA GLY A 27 12.148 -2.046 -1.019 1.00 0.00 C ATOM 433 C GLY A 27 11.698 -2.240 -2.460 1.00 0.00 C ATOM 434 O GLY A 27 10.899 -1.454 -2.972 1.00 0.00 O ATOM 0 H GLY A 27 12.936 -3.358 0.412 1.00 0.00 H new ATOM 0 HA2 GLY A 27 11.506 -1.301 -0.549 1.00 0.00 H new ATOM 0 HA3 GLY A 27 13.160 -1.640 -1.020 1.00 0.00 H new ATOM 438 N GLU A 28 12.199 -3.284 -3.110 1.00 0.00 N ATOM 439 CA GLU A 28 11.842 -3.571 -4.497 1.00 0.00 C ATOM 440 C GLU A 28 10.329 -3.775 -4.644 1.00 0.00 C ATOM 441 O GLU A 28 9.677 -3.126 -5.464 1.00 0.00 O ATOM 442 CB GLU A 28 12.596 -4.812 -4.980 1.00 0.00 C ATOM 443 CG GLU A 28 12.456 -5.074 -6.469 1.00 0.00 C ATOM 444 CD GLU A 28 12.908 -3.900 -7.309 1.00 0.00 C ATOM 445 OE1 GLU A 28 14.124 -3.609 -7.335 1.00 0.00 O ATOM 446 OE2 GLU A 28 12.052 -3.261 -7.954 1.00 0.00 O ATOM 0 H GLU A 28 12.855 -3.948 -2.699 1.00 0.00 H new ATOM 0 HA GLU A 28 12.127 -2.717 -5.112 1.00 0.00 H new ATOM 0 HB2 GLU A 28 13.653 -4.700 -4.738 1.00 0.00 H new ATOM 0 HB3 GLU A 28 12.234 -5.682 -4.432 1.00 0.00 H new ATOM 0 HG2 GLU A 28 13.041 -5.954 -6.736 1.00 0.00 H new ATOM 0 HG3 GLU A 28 11.415 -5.301 -6.698 1.00 0.00 H new ATOM 453 N LYS A 29 9.779 -4.664 -3.828 1.00 0.00 N ATOM 454 CA LYS A 29 8.352 -4.956 -3.842 1.00 0.00 C ATOM 455 C LYS A 29 7.558 -3.762 -3.333 1.00 0.00 C ATOM 456 O LYS A 29 6.455 -3.477 -3.798 1.00 0.00 O ATOM 457 CB LYS A 29 8.077 -6.169 -2.957 1.00 0.00 C ATOM 458 CG LYS A 29 8.647 -7.471 -3.497 1.00 0.00 C ATOM 459 CD LYS A 29 7.920 -7.924 -4.757 1.00 0.00 C ATOM 460 CE LYS A 29 8.309 -9.339 -5.165 1.00 0.00 C ATOM 461 NZ LYS A 29 7.909 -10.340 -4.142 1.00 0.00 N ATOM 0 H LYS A 29 10.307 -5.201 -3.140 1.00 0.00 H new ATOM 0 HA LYS A 29 8.044 -5.167 -4.866 1.00 0.00 H new ATOM 0 HB2 LYS A 29 8.494 -5.985 -1.967 1.00 0.00 H new ATOM 0 HB3 LYS A 29 7.000 -6.279 -2.834 1.00 0.00 H new ATOM 0 HG2 LYS A 29 9.707 -7.342 -3.715 1.00 0.00 H new ATOM 0 HG3 LYS A 29 8.571 -8.246 -2.734 1.00 0.00 H new ATOM 0 HD2 LYS A 29 6.844 -7.878 -4.590 1.00 0.00 H new ATOM 0 HD3 LYS A 29 8.146 -7.237 -5.572 1.00 0.00 H new ATOM 0 HE2 LYS A 29 7.838 -9.585 -6.117 1.00 0.00 H new ATOM 0 HE3 LYS A 29 9.387 -9.389 -5.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 8.760 -10.765 -3.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 7.351 -9.873 -3.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 7.336 -11.084 -4.589 1.00 0.00 H new ATOM 475 N LEU A 30 8.147 -3.080 -2.372 1.00 0.00 N ATOM 476 CA LEU A 30 7.556 -1.911 -1.745 1.00 0.00 C ATOM 477 C LEU A 30 7.299 -0.807 -2.762 1.00 0.00 C ATOM 478 O LEU A 30 6.247 -0.176 -2.731 1.00 0.00 O ATOM 479 CB LEU A 30 8.492 -1.427 -0.632 1.00 0.00 C ATOM 480 CG LEU A 30 8.059 -0.169 0.103 1.00 0.00 C ATOM 481 CD1 LEU A 30 6.574 -0.211 0.417 1.00 0.00 C ATOM 482 CD2 LEU A 30 8.872 -0.024 1.381 1.00 0.00 C ATOM 0 H LEU A 30 9.064 -3.324 -1.998 1.00 0.00 H new ATOM 0 HA LEU A 30 6.589 -2.180 -1.320 1.00 0.00 H new ATOM 0 HB2 LEU A 30 8.603 -2.230 0.097 1.00 0.00 H new ATOM 0 HB3 LEU A 30 9.477 -1.251 -1.064 1.00 0.00 H new ATOM 0 HG LEU A 30 8.239 0.695 -0.537 1.00 0.00 H new ATOM 0 HD11 LEU A 30 6.287 0.700 0.943 1.00 0.00 H new ATOM 0 HD12 LEU A 30 6.008 -0.287 -0.511 1.00 0.00 H new ATOM 0 HD13 LEU A 30 6.359 -1.076 1.045 1.00 0.00 H new ATOM 0 HD21 LEU A 30 8.562 0.878 1.909 1.00 0.00 H new ATOM 0 HD22 LEU A 30 8.706 -0.893 2.018 1.00 0.00 H new ATOM 0 HD23 LEU A 30 9.931 0.047 1.133 1.00 0.00 H new ATOM 494 N GLY A 31 8.242 -0.598 -3.675 1.00 0.00 N ATOM 495 CA GLY A 31 8.101 0.458 -4.668 1.00 0.00 C ATOM 496 C GLY A 31 6.804 0.366 -5.457 1.00 0.00 C ATOM 497 O GLY A 31 6.298 1.380 -5.938 1.00 0.00 O ATOM 0 H GLY A 31 9.103 -1.140 -3.747 1.00 0.00 H new ATOM 0 HA2 GLY A 31 8.148 1.426 -4.169 1.00 0.00 H new ATOM 0 HA3 GLY A 31 8.943 0.414 -5.359 1.00 0.00 H new ATOM 501 N ARG A 32 6.257 -0.841 -5.582 1.00 0.00 N ATOM 502 CA ARG A 32 4.988 -1.027 -6.277 1.00 0.00 C ATOM 503 C ARG A 32 3.852 -0.332 -5.535 1.00 0.00 C ATOM 504 O ARG A 32 3.122 0.448 -6.129 1.00 0.00 O ATOM 505 CB ARG A 32 4.659 -2.513 -6.446 1.00 0.00 C ATOM 506 CG ARG A 32 3.305 -2.778 -7.107 1.00 0.00 C ATOM 507 CD ARG A 32 3.228 -2.171 -8.504 1.00 0.00 C ATOM 508 NE ARG A 32 4.242 -2.713 -9.405 1.00 0.00 N ATOM 509 CZ ARG A 32 4.624 -2.114 -10.533 1.00 0.00 C ATOM 510 NH1 ARG A 32 4.060 -0.969 -10.903 1.00 0.00 N ATOM 511 NH2 ARG A 32 5.561 -2.663 -11.292 1.00 0.00 N ATOM 0 H ARG A 32 6.670 -1.698 -5.214 1.00 0.00 H new ATOM 0 HA ARG A 32 5.092 -0.579 -7.265 1.00 0.00 H new ATOM 0 HB2 ARG A 32 5.441 -2.982 -7.042 1.00 0.00 H new ATOM 0 HB3 ARG A 32 4.674 -2.992 -5.467 1.00 0.00 H new ATOM 0 HG2 ARG A 32 3.134 -3.853 -7.168 1.00 0.00 H new ATOM 0 HG3 ARG A 32 2.510 -2.364 -6.486 1.00 0.00 H new ATOM 0 HD2 ARG A 32 2.239 -2.355 -8.923 1.00 0.00 H new ATOM 0 HD3 ARG A 32 3.349 -1.090 -8.434 1.00 0.00 H new ATOM 0 HE ARG A 32 4.682 -3.599 -9.157 1.00 0.00 H new ATOM 0 HH11 ARG A 32 3.334 -0.548 -10.324 1.00 0.00 H new ATOM 0 HH12 ARG A 32 4.353 -0.512 -11.766 1.00 0.00 H new ATOM 0 HH21 ARG A 32 5.991 -3.545 -11.013 1.00 0.00 H new ATOM 0 HH22 ARG A 32 5.852 -2.204 -12.155 1.00 0.00 H new ATOM 525 N VAL A 33 3.721 -0.595 -4.237 1.00 0.00 N ATOM 526 CA VAL A 33 2.601 -0.055 -3.462 1.00 0.00 C ATOM 527 C VAL A 33 2.657 1.460 -3.403 1.00 0.00 C ATOM 528 O VAL A 33 1.654 2.115 -3.677 1.00 0.00 O ATOM 529 CB VAL A 33 2.517 -0.633 -2.031 1.00 0.00 C ATOM 530 CG1 VAL A 33 1.249 -1.463 -1.878 1.00 0.00 C ATOM 531 CG2 VAL A 33 3.742 -1.464 -1.694 1.00 0.00 C ATOM 0 H VAL A 33 4.369 -1.173 -3.701 1.00 0.00 H new ATOM 0 HA VAL A 33 1.698 -0.364 -3.989 1.00 0.00 H new ATOM 0 HB VAL A 33 2.484 0.201 -1.330 1.00 0.00 H new ATOM 0 HG11 VAL A 33 1.198 -1.866 -0.867 1.00 0.00 H new ATOM 0 HG12 VAL A 33 0.378 -0.834 -2.062 1.00 0.00 H new ATOM 0 HG13 VAL A 33 1.262 -2.283 -2.596 1.00 0.00 H new ATOM 0 HG21 VAL A 33 3.649 -1.855 -0.681 1.00 0.00 H new ATOM 0 HG22 VAL A 33 3.824 -2.293 -2.397 1.00 0.00 H new ATOM 0 HG23 VAL A 33 4.634 -0.841 -1.762 1.00 0.00 H new ATOM 541 N VAL A 34 3.828 2.016 -3.089 1.00 0.00 N ATOM 542 CA VAL A 34 4.003 3.476 -3.095 1.00 0.00 C ATOM 543 C VAL A 34 3.517 4.042 -4.428 1.00 0.00 C ATOM 544 O VAL A 34 2.832 5.066 -4.479 1.00 0.00 O ATOM 545 CB VAL A 34 5.487 3.898 -2.850 1.00 0.00 C ATOM 546 CG1 VAL A 34 6.381 2.689 -2.836 1.00 0.00 C ATOM 547 CG2 VAL A 34 5.996 4.901 -3.890 1.00 0.00 C ATOM 0 H VAL A 34 4.662 1.489 -2.830 1.00 0.00 H new ATOM 0 HA VAL A 34 3.412 3.882 -2.274 1.00 0.00 H new ATOM 0 HB VAL A 34 5.514 4.391 -1.878 1.00 0.00 H new ATOM 0 HG11 VAL A 34 7.411 3.000 -2.664 1.00 0.00 H new ATOM 0 HG12 VAL A 34 6.068 2.014 -2.039 1.00 0.00 H new ATOM 0 HG13 VAL A 34 6.312 2.175 -3.795 1.00 0.00 H new ATOM 0 HG21 VAL A 34 7.032 5.159 -3.670 1.00 0.00 H new ATOM 0 HG22 VAL A 34 5.935 4.457 -4.884 1.00 0.00 H new ATOM 0 HG23 VAL A 34 5.383 5.802 -3.857 1.00 0.00 H new ATOM 557 N HIS A 35 3.862 3.336 -5.497 1.00 0.00 N ATOM 558 CA HIS A 35 3.476 3.730 -6.844 1.00 0.00 C ATOM 559 C HIS A 35 1.974 3.548 -7.060 1.00 0.00 C ATOM 560 O HIS A 35 1.331 4.399 -7.671 1.00 0.00 O ATOM 561 CB HIS A 35 4.263 2.919 -7.874 1.00 0.00 C ATOM 562 CG HIS A 35 4.132 3.424 -9.279 1.00 0.00 C ATOM 563 ND1 HIS A 35 4.882 4.469 -9.773 1.00 0.00 N ATOM 564 CD2 HIS A 35 3.342 3.018 -10.299 1.00 0.00 C ATOM 565 CE1 HIS A 35 4.559 4.682 -11.034 1.00 0.00 C ATOM 566 NE2 HIS A 35 3.628 3.815 -11.379 1.00 0.00 N ATOM 0 H HIS A 35 4.414 2.479 -5.455 1.00 0.00 H new ATOM 0 HA HIS A 35 3.709 4.787 -6.971 1.00 0.00 H new ATOM 0 HB2 HIS A 35 5.317 2.922 -7.595 1.00 0.00 H new ATOM 0 HB3 HIS A 35 3.927 1.883 -7.839 1.00 0.00 H new ATOM 0 HD2 HIS A 35 2.620 2.215 -10.269 1.00 0.00 H new ATOM 0 HE1 HIS A 35 4.985 5.439 -11.676 1.00 0.00 H new ATOM 0 HE2 HIS A 35 3.191 3.747 -12.298 1.00 0.00 H new ATOM 575 N ILE A 36 1.426 2.436 -6.565 1.00 0.00 N ATOM 576 CA ILE A 36 -0.004 2.157 -6.690 1.00 0.00 C ATOM 577 C ILE A 36 -0.828 3.300 -6.121 1.00 0.00 C ATOM 578 O ILE A 36 -1.679 3.857 -6.813 1.00 0.00 O ATOM 579 CB ILE A 36 -0.436 0.839 -5.992 1.00 0.00 C ATOM 580 CG1 ILE A 36 0.303 -0.358 -6.593 1.00 0.00 C ATOM 581 CG2 ILE A 36 -1.943 0.651 -6.113 1.00 0.00 C ATOM 582 CD1 ILE A 36 -0.231 -1.706 -6.154 1.00 0.00 C ATOM 0 H ILE A 36 1.953 1.714 -6.073 1.00 0.00 H new ATOM 0 HA ILE A 36 -0.189 2.046 -7.758 1.00 0.00 H new ATOM 0 HB ILE A 36 -0.175 0.904 -4.936 1.00 0.00 H new ATOM 0 HG12 ILE A 36 0.248 -0.295 -7.680 1.00 0.00 H new ATOM 0 HG13 ILE A 36 1.357 -0.292 -6.323 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -2.235 -0.276 -5.620 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -2.453 1.490 -5.640 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -2.221 0.605 -7.166 1.00 0.00 H new ATOM 0 HD11 ILE A 36 0.349 -2.499 -6.626 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -0.151 -1.794 -5.071 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -1.276 -1.797 -6.449 1.00 0.00 H new ATOM 594 N ILE A 37 -0.559 3.664 -4.870 1.00 0.00 N ATOM 595 CA ILE A 37 -1.326 4.714 -4.219 1.00 0.00 C ATOM 596 C ILE A 37 -1.216 6.023 -4.992 1.00 0.00 C ATOM 597 O ILE A 37 -2.225 6.624 -5.344 1.00 0.00 O ATOM 598 CB ILE A 37 -0.892 4.961 -2.759 1.00 0.00 C ATOM 599 CG1 ILE A 37 -1.013 3.689 -1.919 1.00 0.00 C ATOM 600 CG2 ILE A 37 -1.762 6.047 -2.162 1.00 0.00 C ATOM 601 CD1 ILE A 37 0.300 3.191 -1.366 1.00 0.00 C ATOM 0 H ILE A 37 0.176 3.251 -4.295 1.00 0.00 H new ATOM 0 HA ILE A 37 -2.359 4.366 -4.209 1.00 0.00 H new ATOM 0 HB ILE A 37 0.154 5.268 -2.756 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -1.696 3.877 -1.091 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -1.460 2.904 -2.529 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -1.462 6.228 -1.130 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -1.646 6.964 -2.739 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -2.805 5.732 -2.186 1.00 0.00 H new ATOM 0 HD11 ILE A 37 0.129 2.286 -0.782 1.00 0.00 H new ATOM 0 HD12 ILE A 37 0.980 2.970 -2.188 1.00 0.00 H new ATOM 0 HD13 ILE A 37 0.740 3.957 -0.727 1.00 0.00 H new ATOM 613 N GLN A 38 0.011 6.443 -5.272 1.00 0.00 N ATOM 614 CA GLN A 38 0.252 7.684 -6.011 1.00 0.00 C ATOM 615 C GLN A 38 -0.451 7.680 -7.369 1.00 0.00 C ATOM 616 O GLN A 38 -0.881 8.724 -7.861 1.00 0.00 O ATOM 617 CB GLN A 38 1.753 7.910 -6.220 1.00 0.00 C ATOM 618 CG GLN A 38 2.517 8.266 -4.949 1.00 0.00 C ATOM 619 CD GLN A 38 3.636 9.254 -5.221 1.00 0.00 C ATOM 620 OE1 GLN A 38 3.568 10.044 -6.164 1.00 0.00 O ATOM 621 NE2 GLN A 38 4.656 9.244 -4.382 1.00 0.00 N ATOM 0 H GLN A 38 0.858 5.945 -5.000 1.00 0.00 H new ATOM 0 HA GLN A 38 -0.159 8.496 -5.410 1.00 0.00 H new ATOM 0 HB2 GLN A 38 2.188 7.008 -6.651 1.00 0.00 H new ATOM 0 HB3 GLN A 38 1.890 8.709 -6.948 1.00 0.00 H new ATOM 0 HG2 GLN A 38 1.828 8.689 -4.218 1.00 0.00 H new ATOM 0 HG3 GLN A 38 2.932 7.359 -4.509 1.00 0.00 H new ATOM 0 HE21 GLN A 38 4.677 8.575 -3.613 1.00 0.00 H new ATOM 0 HE22 GLN A 38 5.423 9.906 -4.503 1.00 0.00 H new ATOM 630 N SER A 39 -0.560 6.503 -7.969 1.00 0.00 N ATOM 631 CA SER A 39 -1.172 6.367 -9.282 1.00 0.00 C ATOM 632 C SER A 39 -2.699 6.409 -9.198 1.00 0.00 C ATOM 633 O SER A 39 -3.360 6.872 -10.131 1.00 0.00 O ATOM 634 CB SER A 39 -0.714 5.064 -9.943 1.00 0.00 C ATOM 635 OG SER A 39 -1.294 4.897 -11.226 1.00 0.00 O ATOM 0 H SER A 39 -0.231 5.626 -7.565 1.00 0.00 H new ATOM 0 HA SER A 39 -0.850 7.212 -9.890 1.00 0.00 H new ATOM 0 HB2 SER A 39 0.372 5.063 -10.031 1.00 0.00 H new ATOM 0 HB3 SER A 39 -0.983 4.219 -9.309 1.00 0.00 H new ATOM 0 HG SER A 39 -0.980 4.057 -11.620 1.00 0.00 H new ATOM 641 N ARG A 40 -3.265 5.945 -8.088 1.00 0.00 N ATOM 642 CA ARG A 40 -4.712 5.903 -7.960 1.00 0.00 C ATOM 643 C ARG A 40 -5.205 7.186 -7.318 1.00 0.00 C ATOM 644 O ARG A 40 -6.309 7.657 -7.591 1.00 0.00 O ATOM 645 CB ARG A 40 -5.156 4.696 -7.128 1.00 0.00 C ATOM 646 CG ARG A 40 -4.586 3.369 -7.619 1.00 0.00 C ATOM 647 CD ARG A 40 -5.437 2.190 -7.193 1.00 0.00 C ATOM 648 NE ARG A 40 -6.781 2.220 -7.772 1.00 0.00 N ATOM 649 CZ ARG A 40 -7.411 1.144 -8.244 1.00 0.00 C ATOM 650 NH1 ARG A 40 -6.820 -0.042 -8.222 1.00 0.00 N ATOM 651 NH2 ARG A 40 -8.631 1.257 -8.747 1.00 0.00 N ATOM 0 H ARG A 40 -2.751 5.599 -7.278 1.00 0.00 H new ATOM 0 HA ARG A 40 -5.144 5.805 -8.956 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -4.854 4.850 -6.092 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -6.244 4.640 -7.138 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -4.511 3.387 -8.706 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -3.575 3.244 -7.232 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -4.941 1.265 -7.487 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -5.515 2.179 -6.106 1.00 0.00 H new ATOM 0 HE ARG A 40 -7.264 3.117 -7.817 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -5.878 -0.135 -7.842 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -7.307 -0.861 -8.585 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -9.089 2.168 -8.774 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -9.112 0.433 -9.108 1.00 0.00 H new ATOM 665 N GLU A 41 -4.378 7.727 -6.440 1.00 0.00 N ATOM 666 CA GLU A 41 -4.712 8.918 -5.692 1.00 0.00 C ATOM 667 C GLU A 41 -3.815 10.102 -6.056 1.00 0.00 C ATOM 668 O GLU A 41 -2.774 10.323 -5.433 1.00 0.00 O ATOM 669 CB GLU A 41 -4.567 8.556 -4.243 1.00 0.00 C ATOM 670 CG GLU A 41 -5.149 7.204 -4.011 1.00 0.00 C ATOM 671 CD GLU A 41 -6.612 7.240 -3.635 1.00 0.00 C ATOM 672 OE1 GLU A 41 -7.265 8.291 -3.845 1.00 0.00 O ATOM 673 OE2 GLU A 41 -7.125 6.216 -3.159 1.00 0.00 O ATOM 0 H GLU A 41 -3.455 7.349 -6.228 1.00 0.00 H new ATOM 0 HA GLU A 41 -5.727 9.241 -5.925 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -3.515 8.565 -3.958 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -5.073 9.294 -3.620 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -5.027 6.604 -4.913 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -4.590 6.706 -3.219 1.00 0.00 H new ATOM 680 N PRO A 42 -4.215 10.892 -7.065 1.00 0.00 N ATOM 681 CA PRO A 42 -3.437 12.049 -7.528 1.00 0.00 C ATOM 682 C PRO A 42 -3.304 13.142 -6.465 1.00 0.00 C ATOM 683 O PRO A 42 -2.473 14.041 -6.591 1.00 0.00 O ATOM 684 CB PRO A 42 -4.235 12.574 -8.727 1.00 0.00 C ATOM 685 CG PRO A 42 -5.145 11.459 -9.115 1.00 0.00 C ATOM 686 CD PRO A 42 -5.447 10.715 -7.849 1.00 0.00 C ATOM 0 HA PRO A 42 -2.413 11.763 -7.770 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -4.800 13.468 -8.462 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -3.574 12.846 -9.550 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -6.058 11.841 -9.571 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -4.672 10.806 -9.848 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -6.316 11.127 -7.335 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -5.658 9.663 -8.039 1.00 0.00 H new ATOM 694 N SER A 43 -4.112 13.061 -5.416 1.00 0.00 N ATOM 695 CA SER A 43 -4.088 14.061 -4.359 1.00 0.00 C ATOM 696 C SER A 43 -2.804 13.968 -3.534 1.00 0.00 C ATOM 697 O SER A 43 -2.378 14.946 -2.919 1.00 0.00 O ATOM 698 CB SER A 43 -5.308 13.888 -3.456 1.00 0.00 C ATOM 699 OG SER A 43 -6.507 13.912 -4.216 1.00 0.00 O ATOM 0 H SER A 43 -4.791 12.313 -5.275 1.00 0.00 H new ATOM 0 HA SER A 43 -4.116 15.047 -4.822 1.00 0.00 H new ATOM 0 HB2 SER A 43 -5.234 12.945 -2.915 1.00 0.00 H new ATOM 0 HB3 SER A 43 -5.329 14.683 -2.710 1.00 0.00 H new ATOM 0 HG SER A 43 -7.275 13.798 -3.619 1.00 0.00 H new ATOM 705 N LEU A 44 -2.176 12.799 -3.541 1.00 0.00 N ATOM 706 CA LEU A 44 -0.966 12.584 -2.758 1.00 0.00 C ATOM 707 C LEU A 44 0.235 12.333 -3.654 1.00 0.00 C ATOM 708 O LEU A 44 1.306 11.957 -3.177 1.00 0.00 O ATOM 709 CB LEU A 44 -1.152 11.432 -1.758 1.00 0.00 C ATOM 710 CG LEU A 44 -1.641 10.094 -2.328 1.00 0.00 C ATOM 711 CD1 LEU A 44 -0.469 9.239 -2.784 1.00 0.00 C ATOM 712 CD2 LEU A 44 -2.469 9.358 -1.285 1.00 0.00 C ATOM 0 H LEU A 44 -2.483 11.988 -4.078 1.00 0.00 H new ATOM 0 HA LEU A 44 -0.775 13.496 -2.192 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -0.199 11.260 -1.257 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -1.860 11.755 -0.995 1.00 0.00 H new ATOM 0 HG LEU A 44 -2.267 10.294 -3.198 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -0.841 8.296 -3.184 1.00 0.00 H new ATOM 0 HD12 LEU A 44 0.087 9.767 -3.558 1.00 0.00 H new ATOM 0 HD13 LEU A 44 0.188 9.040 -1.937 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -2.813 8.409 -1.697 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -1.858 9.170 -0.402 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -3.330 9.967 -1.008 1.00 0.00 H new ATOM 724 N LYS A 45 0.071 12.579 -4.947 1.00 0.00 N ATOM 725 CA LYS A 45 1.165 12.377 -5.892 1.00 0.00 C ATOM 726 C LYS A 45 2.180 13.510 -5.771 1.00 0.00 C ATOM 727 O LYS A 45 3.243 13.478 -6.388 1.00 0.00 O ATOM 728 CB LYS A 45 0.650 12.276 -7.334 1.00 0.00 C ATOM 729 CG LYS A 45 0.293 13.603 -7.970 1.00 0.00 C ATOM 730 CD LYS A 45 -0.276 13.396 -9.357 1.00 0.00 C ATOM 731 CE LYS A 45 -0.163 14.659 -10.181 1.00 0.00 C ATOM 732 NZ LYS A 45 -0.661 14.462 -11.566 1.00 0.00 N ATOM 0 H LYS A 45 -0.797 12.915 -5.364 1.00 0.00 H new ATOM 0 HA LYS A 45 1.651 11.433 -5.645 1.00 0.00 H new ATOM 0 HB2 LYS A 45 1.410 11.788 -7.944 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -0.230 11.633 -7.347 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -0.433 14.126 -7.348 1.00 0.00 H new ATOM 0 HG3 LYS A 45 1.179 14.235 -8.026 1.00 0.00 H new ATOM 0 HD2 LYS A 45 0.254 12.584 -9.854 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -1.322 13.097 -9.284 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -0.729 15.457 -9.702 1.00 0.00 H new ATOM 0 HE3 LYS A 45 0.878 14.981 -10.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -0.567 15.350 -12.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -0.104 13.718 -12.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -1.662 14.180 -11.538 1.00 0.00 H new ATOM 746 N ASN A 46 1.846 14.503 -4.956 1.00 0.00 N ATOM 747 CA ASN A 46 2.726 15.640 -4.725 1.00 0.00 C ATOM 748 C ASN A 46 3.732 15.311 -3.631 1.00 0.00 C ATOM 749 O ASN A 46 4.583 16.129 -3.278 1.00 0.00 O ATOM 750 CB ASN A 46 1.913 16.880 -4.345 1.00 0.00 C ATOM 751 CG ASN A 46 0.926 17.280 -5.425 1.00 0.00 C ATOM 752 OD1 ASN A 46 1.149 17.034 -6.611 1.00 0.00 O ATOM 753 ND2 ASN A 46 -0.170 17.902 -5.024 1.00 0.00 N ATOM 0 H ASN A 46 0.966 14.543 -4.441 1.00 0.00 H new ATOM 0 HA ASN A 46 3.267 15.853 -5.647 1.00 0.00 H new ATOM 0 HB2 ASN A 46 1.374 16.687 -3.418 1.00 0.00 H new ATOM 0 HB3 ASN A 46 2.592 17.711 -4.152 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -0.868 18.197 -5.707 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -0.317 18.087 -4.032 1.00 0.00 H new ATOM 760 N SER A 47 3.623 14.104 -3.100 1.00 0.00 N ATOM 761 CA SER A 47 4.554 13.619 -2.100 1.00 0.00 C ATOM 762 C SER A 47 5.835 13.139 -2.775 1.00 0.00 C ATOM 763 O SER A 47 5.784 12.543 -3.856 1.00 0.00 O ATOM 764 CB SER A 47 3.913 12.469 -1.320 1.00 0.00 C ATOM 765 OG SER A 47 2.629 12.831 -0.840 1.00 0.00 O ATOM 0 H SER A 47 2.891 13.439 -3.349 1.00 0.00 H new ATOM 0 HA SER A 47 4.799 14.428 -1.412 1.00 0.00 H new ATOM 0 HB2 SER A 47 3.831 11.592 -1.962 1.00 0.00 H new ATOM 0 HB3 SER A 47 4.553 12.192 -0.482 1.00 0.00 H new ATOM 0 HG SER A 47 1.954 12.614 -1.516 1.00 0.00 H new ATOM 771 N ASN A 48 6.979 13.412 -2.152 1.00 0.00 N ATOM 772 CA ASN A 48 8.258 12.933 -2.667 1.00 0.00 C ATOM 773 C ASN A 48 8.257 11.415 -2.637 1.00 0.00 C ATOM 774 O ASN A 48 7.909 10.817 -1.622 1.00 0.00 O ATOM 775 CB ASN A 48 9.428 13.456 -1.824 1.00 0.00 C ATOM 776 CG ASN A 48 9.502 14.968 -1.776 1.00 0.00 C ATOM 777 OD1 ASN A 48 9.081 15.658 -2.705 1.00 0.00 O ATOM 778 ND2 ASN A 48 10.052 15.491 -0.690 1.00 0.00 N ATOM 0 H ASN A 48 7.046 13.960 -1.294 1.00 0.00 H new ATOM 0 HA ASN A 48 8.384 13.298 -3.686 1.00 0.00 H new ATOM 0 HB2 ASN A 48 9.336 13.071 -0.808 1.00 0.00 H new ATOM 0 HB3 ASN A 48 10.362 13.066 -2.229 1.00 0.00 H new ATOM 0 HD21 ASN A 48 10.140 16.503 -0.600 1.00 0.00 H new ATOM 0 HD22 ASN A 48 10.388 14.881 0.056 1.00 0.00 H new ATOM 785 N PRO A 49 8.633 10.764 -3.750 1.00 0.00 N ATOM 786 CA PRO A 49 8.561 9.307 -3.870 1.00 0.00 C ATOM 787 C PRO A 49 9.427 8.582 -2.854 1.00 0.00 C ATOM 788 O PRO A 49 9.187 7.420 -2.568 1.00 0.00 O ATOM 789 CB PRO A 49 9.046 9.016 -5.289 1.00 0.00 C ATOM 790 CG PRO A 49 9.792 10.241 -5.706 1.00 0.00 C ATOM 791 CD PRO A 49 9.151 11.391 -4.979 1.00 0.00 C ATOM 0 HA PRO A 49 7.548 8.953 -3.677 1.00 0.00 H new ATOM 0 HB2 PRO A 49 9.689 8.136 -5.313 1.00 0.00 H new ATOM 0 HB3 PRO A 49 8.209 8.818 -5.958 1.00 0.00 H new ATOM 0 HG2 PRO A 49 10.848 10.159 -5.450 1.00 0.00 H new ATOM 0 HG3 PRO A 49 9.735 10.383 -6.785 1.00 0.00 H new ATOM 0 HD2 PRO A 49 9.871 12.179 -4.757 1.00 0.00 H new ATOM 0 HD3 PRO A 49 8.353 11.845 -5.567 1.00 0.00 H new ATOM 799 N ASP A 50 10.425 9.268 -2.307 1.00 0.00 N ATOM 800 CA ASP A 50 11.287 8.685 -1.284 1.00 0.00 C ATOM 801 C ASP A 50 10.565 8.664 0.061 1.00 0.00 C ATOM 802 O ASP A 50 10.767 7.764 0.878 1.00 0.00 O ATOM 803 CB ASP A 50 12.584 9.483 -1.137 1.00 0.00 C ATOM 804 CG ASP A 50 13.311 9.717 -2.440 1.00 0.00 C ATOM 805 OD1 ASP A 50 12.829 10.534 -3.257 1.00 0.00 O ATOM 806 OD2 ASP A 50 14.386 9.119 -2.632 1.00 0.00 O ATOM 0 H ASP A 50 10.657 10.230 -2.555 1.00 0.00 H new ATOM 0 HA ASP A 50 11.529 7.668 -1.593 1.00 0.00 H new ATOM 0 HB2 ASP A 50 12.356 10.447 -0.682 1.00 0.00 H new ATOM 0 HB3 ASP A 50 13.248 8.956 -0.452 1.00 0.00 H new ATOM 811 N GLU A 51 9.682 9.635 0.245 1.00 0.00 N ATOM 812 CA GLU A 51 8.993 9.859 1.510 1.00 0.00 C ATOM 813 C GLU A 51 7.517 10.064 1.246 1.00 0.00 C ATOM 814 O GLU A 51 6.957 11.114 1.561 1.00 0.00 O ATOM 815 CB GLU A 51 9.552 11.106 2.205 1.00 0.00 C ATOM 816 CG GLU A 51 10.683 10.829 3.172 1.00 0.00 C ATOM 817 CD GLU A 51 11.295 12.105 3.701 1.00 0.00 C ATOM 818 OE1 GLU A 51 12.200 12.657 3.039 1.00 0.00 O ATOM 819 OE2 GLU A 51 10.860 12.574 4.773 1.00 0.00 O ATOM 0 H GLU A 51 9.420 10.296 -0.486 1.00 0.00 H new ATOM 0 HA GLU A 51 9.144 8.991 2.152 1.00 0.00 H new ATOM 0 HB2 GLU A 51 9.903 11.804 1.445 1.00 0.00 H new ATOM 0 HB3 GLU A 51 8.743 11.601 2.743 1.00 0.00 H new ATOM 0 HG2 GLU A 51 10.311 10.232 4.005 1.00 0.00 H new ATOM 0 HG3 GLU A 51 11.451 10.237 2.673 1.00 0.00 H new ATOM 826 N ILE A 52 6.886 9.069 0.654 1.00 0.00 N ATOM 827 CA ILE A 52 5.521 9.229 0.196 1.00 0.00 C ATOM 828 C ILE A 52 4.575 9.371 1.380 1.00 0.00 C ATOM 829 O ILE A 52 4.822 8.822 2.454 1.00 0.00 O ATOM 830 CB ILE A 52 5.078 8.067 -0.722 1.00 0.00 C ATOM 831 CG1 ILE A 52 4.384 6.971 0.058 1.00 0.00 C ATOM 832 CG2 ILE A 52 6.276 7.480 -1.445 1.00 0.00 C ATOM 833 CD1 ILE A 52 3.399 6.209 -0.792 1.00 0.00 C ATOM 0 H ILE A 52 7.292 8.150 0.480 1.00 0.00 H new ATOM 0 HA ILE A 52 5.480 10.142 -0.398 1.00 0.00 H new ATOM 0 HB ILE A 52 4.373 8.477 -1.445 1.00 0.00 H new ATOM 0 HG12 ILE A 52 5.129 6.282 0.456 1.00 0.00 H new ATOM 0 HG13 ILE A 52 3.865 7.407 0.912 1.00 0.00 H new ATOM 0 HG21 ILE A 52 5.949 6.663 -2.088 1.00 0.00 H new ATOM 0 HG22 ILE A 52 6.749 8.252 -2.052 1.00 0.00 H new ATOM 0 HG23 ILE A 52 6.992 7.103 -0.715 1.00 0.00 H new ATOM 0 HD11 ILE A 52 2.925 5.433 -0.192 1.00 0.00 H new ATOM 0 HD12 ILE A 52 2.638 6.893 -1.168 1.00 0.00 H new ATOM 0 HD13 ILE A 52 3.921 5.750 -1.631 1.00 0.00 H new ATOM 845 N GLU A 53 3.522 10.145 1.191 1.00 0.00 N ATOM 846 CA GLU A 53 2.568 10.406 2.244 1.00 0.00 C ATOM 847 C GLU A 53 1.238 9.738 1.905 1.00 0.00 C ATOM 848 O GLU A 53 0.615 10.066 0.895 1.00 0.00 O ATOM 849 CB GLU A 53 2.396 11.914 2.400 1.00 0.00 C ATOM 850 CG GLU A 53 2.166 12.366 3.829 1.00 0.00 C ATOM 851 CD GLU A 53 1.863 11.232 4.781 1.00 0.00 C ATOM 852 OE1 GLU A 53 2.822 10.550 5.208 1.00 0.00 O ATOM 853 OE2 GLU A 53 0.683 11.032 5.113 1.00 0.00 O ATOM 0 H GLU A 53 3.308 10.606 0.307 1.00 0.00 H new ATOM 0 HA GLU A 53 2.928 9.995 3.187 1.00 0.00 H new ATOM 0 HB2 GLU A 53 3.284 12.412 2.011 1.00 0.00 H new ATOM 0 HB3 GLU A 53 1.555 12.238 1.788 1.00 0.00 H new ATOM 0 HG2 GLU A 53 3.051 12.897 4.180 1.00 0.00 H new ATOM 0 HG3 GLU A 53 1.339 13.076 3.848 1.00 0.00 H new ATOM 860 N ILE A 54 0.826 8.785 2.728 1.00 0.00 N ATOM 861 CA ILE A 54 -0.420 8.064 2.492 1.00 0.00 C ATOM 862 C ILE A 54 -1.464 8.442 3.531 1.00 0.00 C ATOM 863 O ILE A 54 -1.175 8.451 4.725 1.00 0.00 O ATOM 864 CB ILE A 54 -0.221 6.535 2.540 1.00 0.00 C ATOM 865 CG1 ILE A 54 0.784 6.071 1.494 1.00 0.00 C ATOM 866 CG2 ILE A 54 -1.545 5.830 2.318 1.00 0.00 C ATOM 867 CD1 ILE A 54 1.071 4.590 1.568 1.00 0.00 C ATOM 0 H ILE A 54 1.333 8.492 3.563 1.00 0.00 H new ATOM 0 HA ILE A 54 -0.758 8.347 1.495 1.00 0.00 H new ATOM 0 HB ILE A 54 0.169 6.282 3.526 1.00 0.00 H new ATOM 0 HG12 ILE A 54 0.405 6.313 0.501 1.00 0.00 H new ATOM 0 HG13 ILE A 54 1.715 6.623 1.623 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -1.393 4.751 2.354 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -2.249 6.124 3.097 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -1.946 6.108 1.343 1.00 0.00 H new ATOM 0 HD11 ILE A 54 1.794 4.321 0.798 1.00 0.00 H new ATOM 0 HD12 ILE A 54 1.479 4.347 2.549 1.00 0.00 H new ATOM 0 HD13 ILE A 54 0.148 4.032 1.410 1.00 0.00 H new ATOM 879 N ASP A 55 -2.678 8.723 3.079 1.00 0.00 N ATOM 880 CA ASP A 55 -3.763 9.040 3.995 1.00 0.00 C ATOM 881 C ASP A 55 -4.781 7.912 3.951 1.00 0.00 C ATOM 882 O ASP A 55 -5.720 7.942 3.156 1.00 0.00 O ATOM 883 CB ASP A 55 -4.422 10.372 3.626 1.00 0.00 C ATOM 884 CG ASP A 55 -5.419 10.837 4.671 1.00 0.00 C ATOM 885 OD1 ASP A 55 -6.411 10.120 4.918 1.00 0.00 O ATOM 886 OD2 ASP A 55 -5.215 11.929 5.245 1.00 0.00 O ATOM 0 H ASP A 55 -2.935 8.738 2.092 1.00 0.00 H new ATOM 0 HA ASP A 55 -3.365 9.141 5.005 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -3.651 11.132 3.500 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -4.928 10.270 2.666 1.00 0.00 H new ATOM 891 N PHE A 56 -4.592 6.921 4.811 1.00 0.00 N ATOM 892 CA PHE A 56 -5.331 5.665 4.720 1.00 0.00 C ATOM 893 C PHE A 56 -6.836 5.832 4.913 1.00 0.00 C ATOM 894 O PHE A 56 -7.603 4.909 4.643 1.00 0.00 O ATOM 895 CB PHE A 56 -4.770 4.644 5.707 1.00 0.00 C ATOM 896 CG PHE A 56 -3.991 3.568 5.016 1.00 0.00 C ATOM 897 CD1 PHE A 56 -4.638 2.449 4.536 1.00 0.00 C ATOM 898 CD2 PHE A 56 -2.627 3.684 4.816 1.00 0.00 C ATOM 899 CE1 PHE A 56 -3.951 1.463 3.872 1.00 0.00 C ATOM 900 CE2 PHE A 56 -1.928 2.696 4.145 1.00 0.00 C ATOM 901 CZ PHE A 56 -2.597 1.582 3.673 1.00 0.00 C ATOM 0 H PHE A 56 -3.929 6.961 5.585 1.00 0.00 H new ATOM 0 HA PHE A 56 -5.194 5.298 3.703 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -4.128 5.151 6.428 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -5.589 4.195 6.269 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -5.703 2.346 4.685 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -2.103 4.553 5.187 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -4.476 0.593 3.506 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -0.864 2.795 3.991 1.00 0.00 H new ATOM 0 HZ PHE A 56 -2.057 0.807 3.149 1.00 0.00 H new ATOM 911 N GLU A 57 -7.266 7.000 5.357 1.00 0.00 N ATOM 912 CA GLU A 57 -8.682 7.254 5.538 1.00 0.00 C ATOM 913 C GLU A 57 -9.330 7.798 4.274 1.00 0.00 C ATOM 914 O GLU A 57 -10.548 7.729 4.112 1.00 0.00 O ATOM 915 CB GLU A 57 -8.895 8.211 6.700 1.00 0.00 C ATOM 916 CG GLU A 57 -8.696 7.548 8.046 1.00 0.00 C ATOM 917 CD GLU A 57 -9.794 6.551 8.352 1.00 0.00 C ATOM 918 OE1 GLU A 57 -9.774 5.439 7.786 1.00 0.00 O ATOM 919 OE2 GLU A 57 -10.691 6.879 9.157 1.00 0.00 O ATOM 0 H GLU A 57 -6.658 7.783 5.597 1.00 0.00 H new ATOM 0 HA GLU A 57 -9.163 6.302 5.763 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -8.204 9.049 6.607 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -9.903 8.622 6.647 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -7.731 7.042 8.062 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -8.669 8.309 8.825 1.00 0.00 H new ATOM 926 N THR A 58 -8.519 8.310 3.372 1.00 0.00 N ATOM 927 CA THR A 58 -9.045 8.957 2.180 1.00 0.00 C ATOM 928 C THR A 58 -8.801 8.134 0.920 1.00 0.00 C ATOM 929 O THR A 58 -9.351 8.444 -0.140 1.00 0.00 O ATOM 930 CB THR A 58 -8.443 10.361 2.005 1.00 0.00 C ATOM 931 OG1 THR A 58 -7.017 10.275 1.917 1.00 0.00 O ATOM 932 CG2 THR A 58 -8.825 11.242 3.181 1.00 0.00 C ATOM 0 H THR A 58 -7.501 8.293 3.436 1.00 0.00 H new ATOM 0 HA THR A 58 -10.122 9.041 2.323 1.00 0.00 H new ATOM 0 HB THR A 58 -8.835 10.797 1.086 1.00 0.00 H new ATOM 0 HG1 THR A 58 -6.723 9.391 2.221 1.00 0.00 H new ATOM 0 HG21 THR A 58 -8.394 12.234 3.048 1.00 0.00 H new ATOM 0 HG22 THR A 58 -9.911 11.323 3.238 1.00 0.00 H new ATOM 0 HG23 THR A 58 -8.445 10.802 4.103 1.00 0.00 H new ATOM 940 N LEU A 59 -7.982 7.089 1.029 1.00 0.00 N ATOM 941 CA LEU A 59 -7.721 6.225 -0.120 1.00 0.00 C ATOM 942 C LEU A 59 -9.015 5.546 -0.541 1.00 0.00 C ATOM 943 O LEU A 59 -9.822 5.144 0.305 1.00 0.00 O ATOM 944 CB LEU A 59 -6.678 5.139 0.178 1.00 0.00 C ATOM 945 CG LEU A 59 -5.508 5.546 1.073 1.00 0.00 C ATOM 946 CD1 LEU A 59 -4.525 4.391 1.213 1.00 0.00 C ATOM 947 CD2 LEU A 59 -4.819 6.797 0.540 1.00 0.00 C ATOM 0 H LEU A 59 -7.496 6.823 1.885 1.00 0.00 H new ATOM 0 HA LEU A 59 -7.326 6.860 -0.914 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -7.187 4.295 0.644 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -6.275 4.783 -0.770 1.00 0.00 H new ATOM 0 HG LEU A 59 -5.897 5.785 2.063 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -3.696 4.694 1.853 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -5.032 3.534 1.657 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -4.143 4.117 0.230 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -3.991 7.064 1.196 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -4.439 6.604 -0.463 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -5.534 7.619 0.505 1.00 0.00 H new ATOM 959 N LYS A 60 -9.209 5.437 -1.840 1.00 0.00 N ATOM 960 CA LYS A 60 -10.366 4.769 -2.399 1.00 0.00 C ATOM 961 C LYS A 60 -10.357 3.295 -2.001 1.00 0.00 C ATOM 962 O LYS A 60 -9.290 2.698 -1.831 1.00 0.00 O ATOM 963 CB LYS A 60 -10.342 4.899 -3.925 1.00 0.00 C ATOM 964 CG LYS A 60 -10.235 6.333 -4.422 1.00 0.00 C ATOM 965 CD LYS A 60 -10.280 6.397 -5.940 1.00 0.00 C ATOM 966 CE LYS A 60 -10.061 7.813 -6.447 1.00 0.00 C ATOM 967 NZ LYS A 60 -8.669 8.286 -6.213 1.00 0.00 N ATOM 0 H LYS A 60 -8.567 5.810 -2.539 1.00 0.00 H new ATOM 0 HA LYS A 60 -11.273 5.233 -2.012 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -9.501 4.326 -4.315 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -11.248 4.451 -4.332 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -11.050 6.926 -4.007 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -9.305 6.775 -4.065 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -9.517 5.739 -6.355 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -11.244 6.029 -6.292 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -10.282 7.853 -7.514 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -10.760 8.487 -5.951 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -8.593 9.288 -6.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -8.430 8.178 -5.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -8.010 7.723 -6.788 1.00 0.00 H new ATOM 981 N PRO A 61 -11.544 2.692 -1.834 1.00 0.00 N ATOM 982 CA PRO A 61 -11.665 1.274 -1.486 1.00 0.00 C ATOM 983 C PRO A 61 -10.953 0.379 -2.495 1.00 0.00 C ATOM 984 O PRO A 61 -10.396 -0.659 -2.136 1.00 0.00 O ATOM 985 CB PRO A 61 -13.173 1.008 -1.514 1.00 0.00 C ATOM 986 CG PRO A 61 -13.828 2.346 -1.408 1.00 0.00 C ATOM 987 CD PRO A 61 -12.855 3.356 -1.959 1.00 0.00 C ATOM 0 HA PRO A 61 -11.207 1.056 -0.521 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -13.463 0.503 -2.435 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -13.471 0.361 -0.689 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -14.762 2.364 -1.969 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -14.075 2.574 -0.371 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -13.080 3.603 -2.997 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -12.886 4.289 -1.396 1.00 0.00 H new ATOM 995 N SER A 62 -10.969 0.798 -3.753 1.00 0.00 N ATOM 996 CA SER A 62 -10.274 0.089 -4.818 1.00 0.00 C ATOM 997 C SER A 62 -8.763 0.158 -4.613 1.00 0.00 C ATOM 998 O SER A 62 -8.048 -0.811 -4.870 1.00 0.00 O ATOM 999 CB SER A 62 -10.664 0.699 -6.161 1.00 0.00 C ATOM 1000 OG SER A 62 -10.744 2.112 -6.058 1.00 0.00 O ATOM 0 H SER A 62 -11.462 1.635 -4.063 1.00 0.00 H new ATOM 0 HA SER A 62 -10.564 -0.962 -4.802 1.00 0.00 H new ATOM 0 HB2 SER A 62 -9.931 0.424 -6.919 1.00 0.00 H new ATOM 0 HB3 SER A 62 -11.624 0.297 -6.485 1.00 0.00 H new ATOM 0 HG SER A 62 -10.993 2.490 -6.927 1.00 0.00 H new ATOM 1006 N THR A 63 -8.290 1.303 -4.135 1.00 0.00 N ATOM 1007 CA THR A 63 -6.881 1.482 -3.829 1.00 0.00 C ATOM 1008 C THR A 63 -6.479 0.552 -2.696 1.00 0.00 C ATOM 1009 O THR A 63 -5.550 -0.237 -2.840 1.00 0.00 O ATOM 1010 CB THR A 63 -6.569 2.946 -3.434 1.00 0.00 C ATOM 1011 OG1 THR A 63 -7.332 3.838 -4.255 1.00 0.00 O ATOM 1012 CG2 THR A 63 -5.092 3.259 -3.613 1.00 0.00 C ATOM 0 H THR A 63 -8.867 2.124 -3.951 1.00 0.00 H new ATOM 0 HA THR A 63 -6.309 1.243 -4.726 1.00 0.00 H new ATOM 0 HB THR A 63 -6.832 3.076 -2.384 1.00 0.00 H new ATOM 0 HG1 THR A 63 -7.353 4.726 -3.841 1.00 0.00 H new ATOM 0 HG21 THR A 63 -4.902 4.294 -3.328 1.00 0.00 H new ATOM 0 HG22 THR A 63 -4.500 2.595 -2.983 1.00 0.00 H new ATOM 0 HG23 THR A 63 -4.813 3.113 -4.657 1.00 0.00 H new ATOM 1020 N LEU A 64 -7.214 0.620 -1.588 1.00 0.00 N ATOM 1021 CA LEU A 64 -6.955 -0.239 -0.434 1.00 0.00 C ATOM 1022 C LEU A 64 -6.960 -1.703 -0.841 1.00 0.00 C ATOM 1023 O LEU A 64 -6.082 -2.472 -0.456 1.00 0.00 O ATOM 1024 CB LEU A 64 -8.007 -0.011 0.659 1.00 0.00 C ATOM 1025 CG LEU A 64 -7.946 1.343 1.365 1.00 0.00 C ATOM 1026 CD1 LEU A 64 -9.128 1.515 2.310 1.00 0.00 C ATOM 1027 CD2 LEU A 64 -6.652 1.474 2.138 1.00 0.00 C ATOM 0 H LEU A 64 -7.996 1.263 -1.465 1.00 0.00 H new ATOM 0 HA LEU A 64 -5.971 0.019 -0.042 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -8.996 -0.124 0.215 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -7.902 -0.796 1.408 1.00 0.00 H new ATOM 0 HG LEU A 64 -7.991 2.123 0.605 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -9.063 2.486 2.801 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -10.058 1.456 1.744 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -9.110 0.726 3.062 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -6.622 2.443 2.636 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -6.592 0.681 2.884 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -5.809 1.392 1.452 1.00 0.00 H new ATOM 1039 N ARG A 65 -7.938 -2.075 -1.645 1.00 0.00 N ATOM 1040 CA ARG A 65 -8.099 -3.456 -2.051 1.00 0.00 C ATOM 1041 C ARG A 65 -6.969 -3.891 -2.986 1.00 0.00 C ATOM 1042 O ARG A 65 -6.617 -5.069 -3.029 1.00 0.00 O ATOM 1043 CB ARG A 65 -9.463 -3.639 -2.716 1.00 0.00 C ATOM 1044 CG ARG A 65 -9.844 -5.088 -2.968 1.00 0.00 C ATOM 1045 CD ARG A 65 -9.748 -5.927 -1.696 1.00 0.00 C ATOM 1046 NE ARG A 65 -10.233 -7.291 -1.907 1.00 0.00 N ATOM 1047 CZ ARG A 65 -10.322 -8.210 -0.943 1.00 0.00 C ATOM 1048 NH1 ARG A 65 -9.891 -7.943 0.283 1.00 0.00 N ATOM 1049 NH2 ARG A 65 -10.835 -9.406 -1.210 1.00 0.00 N ATOM 0 H ARG A 65 -8.634 -1.437 -2.030 1.00 0.00 H new ATOM 0 HA ARG A 65 -8.050 -4.091 -1.166 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -10.226 -3.179 -2.088 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -9.466 -3.104 -3.666 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -10.861 -5.134 -3.358 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -9.190 -5.509 -3.732 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -8.712 -5.958 -1.358 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -10.328 -5.454 -0.904 1.00 0.00 H new ATOM 0 HE ARG A 65 -10.521 -7.556 -2.849 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -9.488 -7.030 0.494 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -9.963 -8.651 1.014 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -11.161 -9.622 -2.152 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -10.903 -10.108 -0.473 1.00 0.00 H new ATOM 1063 N GLU A 66 -6.388 -2.942 -3.713 1.00 0.00 N ATOM 1064 CA GLU A 66 -5.278 -3.248 -4.602 1.00 0.00 C ATOM 1065 C GLU A 66 -3.976 -3.318 -3.817 1.00 0.00 C ATOM 1066 O GLU A 66 -3.114 -4.151 -4.096 1.00 0.00 O ATOM 1067 CB GLU A 66 -5.186 -2.219 -5.733 1.00 0.00 C ATOM 1068 CG GLU A 66 -3.948 -2.394 -6.598 1.00 0.00 C ATOM 1069 CD GLU A 66 -4.078 -1.752 -7.963 1.00 0.00 C ATOM 1070 OE1 GLU A 66 -4.202 -0.513 -8.042 1.00 0.00 O ATOM 1071 OE2 GLU A 66 -4.046 -2.487 -8.973 1.00 0.00 O ATOM 0 H GLU A 66 -6.667 -1.961 -3.703 1.00 0.00 H new ATOM 0 HA GLU A 66 -5.456 -4.223 -5.055 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -6.074 -2.297 -6.360 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -5.184 -1.217 -5.305 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -3.089 -1.965 -6.082 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -3.747 -3.458 -6.722 1.00 0.00 H new ATOM 1078 N LEU A 67 -3.861 -2.463 -2.811 1.00 0.00 N ATOM 1079 CA LEU A 67 -2.692 -2.436 -1.958 1.00 0.00 C ATOM 1080 C LEU A 67 -2.614 -3.748 -1.187 1.00 0.00 C ATOM 1081 O LEU A 67 -1.591 -4.432 -1.192 1.00 0.00 O ATOM 1082 CB LEU A 67 -2.800 -1.256 -0.984 1.00 0.00 C ATOM 1083 CG LEU A 67 -2.986 0.110 -1.639 1.00 0.00 C ATOM 1084 CD1 LEU A 67 -3.122 1.197 -0.584 1.00 0.00 C ATOM 1085 CD2 LEU A 67 -1.836 0.409 -2.580 1.00 0.00 C ATOM 0 H LEU A 67 -4.573 -1.774 -2.568 1.00 0.00 H new ATOM 0 HA LEU A 67 -1.791 -2.316 -2.559 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -3.638 -1.436 -0.311 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -1.899 -1.228 -0.371 1.00 0.00 H new ATOM 0 HG LEU A 67 -3.906 0.090 -2.223 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -3.254 2.163 -1.072 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -3.987 0.987 0.045 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -2.223 1.221 0.032 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -1.985 1.387 -3.038 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -0.900 0.409 -2.022 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -1.795 -0.353 -3.358 1.00 0.00 H new ATOM 1097 N GLU A 68 -3.741 -4.113 -0.582 1.00 0.00 N ATOM 1098 CA GLU A 68 -3.825 -5.290 0.276 1.00 0.00 C ATOM 1099 C GLU A 68 -3.661 -6.580 -0.526 1.00 0.00 C ATOM 1100 O GLU A 68 -2.887 -7.463 -0.151 1.00 0.00 O ATOM 1101 CB GLU A 68 -5.172 -5.311 1.003 1.00 0.00 C ATOM 1102 CG GLU A 68 -5.292 -6.442 2.008 1.00 0.00 C ATOM 1103 CD GLU A 68 -6.717 -6.933 2.171 1.00 0.00 C ATOM 1104 OE1 GLU A 68 -7.407 -7.108 1.145 1.00 0.00 O ATOM 1105 OE2 GLU A 68 -7.148 -7.169 3.322 1.00 0.00 O ATOM 0 H GLU A 68 -4.619 -3.602 -0.673 1.00 0.00 H new ATOM 0 HA GLU A 68 -3.013 -5.232 1.001 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -5.315 -4.360 1.517 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -5.973 -5.400 0.269 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -4.660 -7.272 1.691 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -4.916 -6.105 2.974 1.00 0.00 H new ATOM 1112 N ARG A 69 -4.394 -6.687 -1.630 1.00 0.00 N ATOM 1113 CA ARG A 69 -4.376 -7.903 -2.445 1.00 0.00 C ATOM 1114 C ARG A 69 -2.982 -8.172 -2.996 1.00 0.00 C ATOM 1115 O ARG A 69 -2.560 -9.324 -3.124 1.00 0.00 O ATOM 1116 CB ARG A 69 -5.374 -7.805 -3.596 1.00 0.00 C ATOM 1117 CG ARG A 69 -5.592 -9.123 -4.316 1.00 0.00 C ATOM 1118 CD ARG A 69 -6.182 -8.905 -5.697 1.00 0.00 C ATOM 1119 NE ARG A 69 -5.301 -8.100 -6.538 1.00 0.00 N ATOM 1120 CZ ARG A 69 -5.713 -7.349 -7.556 1.00 0.00 C ATOM 1121 NH1 ARG A 69 -6.998 -7.306 -7.885 1.00 0.00 N ATOM 1122 NH2 ARG A 69 -4.831 -6.639 -8.247 1.00 0.00 N ATOM 0 H ARG A 69 -5.006 -5.951 -1.982 1.00 0.00 H new ATOM 0 HA ARG A 69 -4.664 -8.733 -1.799 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -6.329 -7.448 -3.210 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -5.021 -7.062 -4.311 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -4.644 -9.654 -4.403 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -6.258 -9.755 -3.729 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -6.360 -9.869 -6.174 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -7.150 -8.411 -5.606 1.00 0.00 H new ATOM 0 HE ARG A 69 -4.302 -8.114 -6.331 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -7.678 -7.851 -7.356 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -7.305 -6.728 -8.667 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -3.843 -6.671 -7.997 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -5.141 -6.061 -9.028 1.00 0.00 H new ATOM 1136 N TYR A 70 -2.264 -7.103 -3.298 1.00 0.00 N ATOM 1137 CA TYR A 70 -0.931 -7.223 -3.865 1.00 0.00 C ATOM 1138 C TYR A 70 0.084 -7.632 -2.803 1.00 0.00 C ATOM 1139 O TYR A 70 0.873 -8.550 -3.014 1.00 0.00 O ATOM 1140 CB TYR A 70 -0.506 -5.912 -4.536 1.00 0.00 C ATOM 1141 CG TYR A 70 0.984 -5.815 -4.775 1.00 0.00 C ATOM 1142 CD1 TYR A 70 1.582 -6.394 -5.888 1.00 0.00 C ATOM 1143 CD2 TYR A 70 1.791 -5.155 -3.865 1.00 0.00 C ATOM 1144 CE1 TYR A 70 2.948 -6.312 -6.083 1.00 0.00 C ATOM 1145 CE2 TYR A 70 3.157 -5.071 -4.050 1.00 0.00 C ATOM 1146 CZ TYR A 70 3.731 -5.651 -5.160 1.00 0.00 C ATOM 1147 OH TYR A 70 5.092 -5.572 -5.347 1.00 0.00 O ATOM 0 H TYR A 70 -2.581 -6.143 -3.160 1.00 0.00 H new ATOM 0 HA TYR A 70 -0.961 -8.006 -4.623 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -1.026 -5.815 -5.489 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -0.822 -5.075 -3.914 1.00 0.00 H new ATOM 0 HD1 TYR A 70 0.971 -6.915 -6.610 1.00 0.00 H new ATOM 0 HD2 TYR A 70 1.345 -4.697 -2.995 1.00 0.00 H new ATOM 0 HE1 TYR A 70 3.400 -6.763 -6.954 1.00 0.00 H new ATOM 0 HE2 TYR A 70 3.772 -4.554 -3.329 1.00 0.00 H new ATOM 0 HH TYR A 70 5.460 -4.864 -4.778 1.00 0.00 H new ATOM 1157 N VAL A 71 0.067 -6.956 -1.664 1.00 0.00 N ATOM 1158 CA VAL A 71 1.035 -7.238 -0.614 1.00 0.00 C ATOM 1159 C VAL A 71 0.851 -8.639 -0.053 1.00 0.00 C ATOM 1160 O VAL A 71 1.821 -9.363 0.131 1.00 0.00 O ATOM 1161 CB VAL A 71 0.952 -6.223 0.535 1.00 0.00 C ATOM 1162 CG1 VAL A 71 1.275 -4.829 0.051 1.00 0.00 C ATOM 1163 CG2 VAL A 71 -0.412 -6.248 1.181 1.00 0.00 C ATOM 0 H VAL A 71 -0.599 -6.216 -1.444 1.00 0.00 H new ATOM 0 HA VAL A 71 2.018 -7.160 -1.078 1.00 0.00 H new ATOM 0 HB VAL A 71 1.693 -6.509 1.282 1.00 0.00 H new ATOM 0 HG11 VAL A 71 1.209 -4.130 0.885 1.00 0.00 H new ATOM 0 HG12 VAL A 71 2.285 -4.811 -0.358 1.00 0.00 H new ATOM 0 HG13 VAL A 71 0.565 -4.539 -0.723 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -0.444 -5.520 1.992 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -1.171 -5.999 0.439 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -0.608 -7.244 1.579 1.00 0.00 H new ATOM 1173 N THR A 72 -0.396 -9.022 0.197 1.00 0.00 N ATOM 1174 CA THR A 72 -0.694 -10.328 0.755 1.00 0.00 C ATOM 1175 C THR A 72 -0.227 -11.435 -0.192 1.00 0.00 C ATOM 1176 O THR A 72 0.125 -12.526 0.245 1.00 0.00 O ATOM 1177 CB THR A 72 -2.199 -10.468 1.090 1.00 0.00 C ATOM 1178 OG1 THR A 72 -2.397 -11.528 2.031 1.00 0.00 O ATOM 1179 CG2 THR A 72 -3.022 -10.740 -0.154 1.00 0.00 C ATOM 0 H THR A 72 -1.216 -8.442 0.020 1.00 0.00 H new ATOM 0 HA THR A 72 -0.145 -10.430 1.691 1.00 0.00 H new ATOM 0 HB THR A 72 -2.530 -9.524 1.522 1.00 0.00 H new ATOM 0 HG1 THR A 72 -3.352 -11.608 2.238 1.00 0.00 H new ATOM 0 HG21 THR A 72 -4.073 -10.833 0.118 1.00 0.00 H new ATOM 0 HG22 THR A 72 -2.901 -9.917 -0.858 1.00 0.00 H new ATOM 0 HG23 THR A 72 -2.684 -11.667 -0.618 1.00 0.00 H new ATOM 1187 N SER A 73 -0.178 -11.130 -1.486 1.00 0.00 N ATOM 1188 CA SER A 73 0.344 -12.073 -2.465 1.00 0.00 C ATOM 1189 C SER A 73 1.846 -12.274 -2.244 1.00 0.00 C ATOM 1190 O SER A 73 2.392 -13.337 -2.527 1.00 0.00 O ATOM 1191 CB SER A 73 0.076 -11.582 -3.897 1.00 0.00 C ATOM 1192 OG SER A 73 1.112 -10.737 -4.374 1.00 0.00 O ATOM 0 H SER A 73 -0.492 -10.242 -1.877 1.00 0.00 H new ATOM 0 HA SER A 73 -0.167 -13.027 -2.334 1.00 0.00 H new ATOM 0 HB2 SER A 73 -0.026 -12.440 -4.561 1.00 0.00 H new ATOM 0 HB3 SER A 73 -0.872 -11.044 -3.924 1.00 0.00 H new ATOM 0 HG SER A 73 0.968 -9.825 -4.045 1.00 0.00 H new ATOM 1198 N CYS A 74 2.494 -11.243 -1.711 1.00 0.00 N ATOM 1199 CA CYS A 74 3.928 -11.268 -1.457 1.00 0.00 C ATOM 1200 C CYS A 74 4.227 -11.855 -0.076 1.00 0.00 C ATOM 1201 O CYS A 74 5.090 -12.718 0.060 1.00 0.00 O ATOM 1202 CB CYS A 74 4.508 -9.850 -1.577 1.00 0.00 C ATOM 1203 SG CYS A 74 6.302 -9.757 -1.354 1.00 0.00 S ATOM 0 H CYS A 74 2.040 -10.369 -1.444 1.00 0.00 H new ATOM 0 HA CYS A 74 4.401 -11.907 -2.203 1.00 0.00 H new ATOM 0 HB2 CYS A 74 4.254 -9.448 -2.558 1.00 0.00 H new ATOM 0 HB3 CYS A 74 4.028 -9.210 -0.837 1.00 0.00 H new ATOM 0 HG CYS A 74 6.716 -10.813 -0.718 1.00 0.00 H new ATOM 1209 N LEU A 75 3.510 -11.379 0.943 1.00 0.00 N ATOM 1210 CA LEU A 75 3.663 -11.879 2.312 1.00 0.00 C ATOM 1211 C LEU A 75 3.387 -13.381 2.391 1.00 0.00 C ATOM 1212 O LEU A 75 3.947 -14.082 3.236 1.00 0.00 O ATOM 1213 CB LEU A 75 2.699 -11.156 3.252 1.00 0.00 C ATOM 1214 CG LEU A 75 2.455 -9.691 2.940 1.00 0.00 C ATOM 1215 CD1 LEU A 75 1.287 -9.177 3.753 1.00 0.00 C ATOM 1216 CD2 LEU A 75 3.702 -8.881 3.219 1.00 0.00 C ATOM 0 H LEU A 75 2.812 -10.642 0.845 1.00 0.00 H new ATOM 0 HA LEU A 75 4.693 -11.690 2.613 1.00 0.00 H new ATOM 0 HB2 LEU A 75 1.742 -11.677 3.233 1.00 0.00 H new ATOM 0 HB3 LEU A 75 3.084 -11.233 4.269 1.00 0.00 H new ATOM 0 HG LEU A 75 2.212 -9.588 1.882 1.00 0.00 H new ATOM 0 HD11 LEU A 75 1.119 -8.125 3.523 1.00 0.00 H new ATOM 0 HD12 LEU A 75 0.393 -9.750 3.507 1.00 0.00 H new ATOM 0 HD13 LEU A 75 1.507 -9.286 4.815 1.00 0.00 H new ATOM 0 HD21 LEU A 75 3.513 -7.832 2.991 1.00 0.00 H new ATOM 0 HD22 LEU A 75 3.973 -8.981 4.270 1.00 0.00 H new ATOM 0 HD23 LEU A 75 4.520 -9.246 2.597 1.00 0.00 H new ATOM 1228 N ARG A 76 2.510 -13.864 1.518 1.00 0.00 N ATOM 1229 CA ARG A 76 2.161 -15.282 1.479 1.00 0.00 C ATOM 1230 C ARG A 76 3.139 -16.062 0.602 1.00 0.00 C ATOM 1231 O ARG A 76 2.940 -17.245 0.319 1.00 0.00 O ATOM 1232 CB ARG A 76 0.732 -15.457 0.969 1.00 0.00 C ATOM 1233 CG ARG A 76 -0.326 -15.054 1.980 1.00 0.00 C ATOM 1234 CD ARG A 76 -1.703 -15.004 1.344 1.00 0.00 C ATOM 1235 NE ARG A 76 -2.733 -14.579 2.291 1.00 0.00 N ATOM 1236 CZ ARG A 76 -3.968 -14.220 1.939 1.00 0.00 C ATOM 1237 NH1 ARG A 76 -4.329 -14.216 0.660 1.00 0.00 N ATOM 1238 NH2 ARG A 76 -4.837 -13.843 2.869 1.00 0.00 N ATOM 0 H ARG A 76 2.026 -13.293 0.825 1.00 0.00 H new ATOM 0 HA ARG A 76 2.226 -15.679 2.492 1.00 0.00 H new ATOM 0 HB2 ARG A 76 0.603 -14.864 0.064 1.00 0.00 H new ATOM 0 HB3 ARG A 76 0.579 -16.500 0.691 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -0.331 -15.763 2.808 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -0.080 -14.078 2.398 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -1.685 -14.318 0.497 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -1.956 -15.989 0.952 1.00 0.00 H new ATOM 0 HE ARG A 76 -2.492 -14.556 3.282 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -3.660 -14.489 -0.060 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -5.275 -13.940 0.398 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -4.559 -13.828 3.850 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -5.782 -13.568 2.602 1.00 0.00 H new ATOM 1252 N LYS A 77 4.196 -15.387 0.184 1.00 0.00 N ATOM 1253 CA LYS A 77 5.251 -15.997 -0.608 1.00 0.00 C ATOM 1254 C LYS A 77 6.606 -15.693 0.013 1.00 0.00 C ATOM 1255 O LYS A 77 6.683 -15.164 1.125 1.00 0.00 O ATOM 1256 CB LYS A 77 5.209 -15.482 -2.043 1.00 0.00 C ATOM 1257 CG LYS A 77 4.142 -16.150 -2.881 1.00 0.00 C ATOM 1258 CD LYS A 77 3.981 -15.464 -4.226 1.00 0.00 C ATOM 1259 CE LYS A 77 2.896 -16.118 -5.060 1.00 0.00 C ATOM 1260 NZ LYS A 77 3.199 -17.544 -5.355 1.00 0.00 N ATOM 0 H LYS A 77 4.347 -14.398 0.385 1.00 0.00 H new ATOM 0 HA LYS A 77 5.096 -17.076 -0.622 1.00 0.00 H new ATOM 0 HB2 LYS A 77 5.034 -14.406 -2.032 1.00 0.00 H new ATOM 0 HB3 LYS A 77 6.181 -15.642 -2.509 1.00 0.00 H new ATOM 0 HG2 LYS A 77 4.401 -17.198 -3.034 1.00 0.00 H new ATOM 0 HG3 LYS A 77 3.193 -16.131 -2.346 1.00 0.00 H new ATOM 0 HD2 LYS A 77 3.738 -14.413 -4.072 1.00 0.00 H new ATOM 0 HD3 LYS A 77 4.926 -15.497 -4.767 1.00 0.00 H new ATOM 0 HE2 LYS A 77 1.945 -16.052 -4.532 1.00 0.00 H new ATOM 0 HE3 LYS A 77 2.780 -15.571 -5.996 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 2.547 -17.893 -6.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 4.178 -17.628 -5.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 3.084 -18.110 -4.490 1.00 0.00 H new ATOM 1274 N LYS A 78 7.671 -16.026 -0.697 1.00 0.00 N ATOM 1275 CA LYS A 78 9.007 -15.717 -0.228 1.00 0.00 C ATOM 1276 C LYS A 78 9.436 -14.351 -0.727 1.00 0.00 C ATOM 1277 O LYS A 78 9.277 -14.030 -1.906 1.00 0.00 O ATOM 1278 CB LYS A 78 10.027 -16.768 -0.675 1.00 0.00 C ATOM 1279 CG LYS A 78 9.999 -18.050 0.146 1.00 0.00 C ATOM 1280 CD LYS A 78 8.667 -18.765 0.029 1.00 0.00 C ATOM 1281 CE LYS A 78 8.625 -20.012 0.891 1.00 0.00 C ATOM 1282 NZ LYS A 78 7.321 -20.718 0.781 1.00 0.00 N ATOM 0 H LYS A 78 7.635 -16.508 -1.595 1.00 0.00 H new ATOM 0 HA LYS A 78 8.976 -15.719 0.862 1.00 0.00 H new ATOM 0 HB2 LYS A 78 9.844 -17.015 -1.721 1.00 0.00 H new ATOM 0 HB3 LYS A 78 11.026 -16.336 -0.620 1.00 0.00 H new ATOM 0 HG2 LYS A 78 10.798 -18.713 -0.187 1.00 0.00 H new ATOM 0 HG3 LYS A 78 10.195 -17.816 1.192 1.00 0.00 H new ATOM 0 HD2 LYS A 78 7.864 -18.090 0.325 1.00 0.00 H new ATOM 0 HD3 LYS A 78 8.489 -19.035 -1.012 1.00 0.00 H new ATOM 0 HE2 LYS A 78 9.429 -20.686 0.594 1.00 0.00 H new ATOM 0 HE3 LYS A 78 8.804 -19.741 1.931 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 7.333 -21.565 1.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 6.556 -20.084 1.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 7.161 -21.000 -0.207 1.00 0.00 H new ATOM 1296 N ARG A 79 9.967 -13.546 0.172 1.00 0.00 N ATOM 1297 CA ARG A 79 10.481 -12.244 -0.198 1.00 0.00 C ATOM 1298 C ARG A 79 12.002 -12.294 -0.305 1.00 0.00 C ATOM 1299 O ARG A 79 12.730 -12.085 0.665 1.00 0.00 O ATOM 1300 CB ARG A 79 9.985 -11.157 0.778 1.00 0.00 C ATOM 1301 CG ARG A 79 9.880 -11.591 2.237 1.00 0.00 C ATOM 1302 CD ARG A 79 11.192 -11.420 2.976 1.00 0.00 C ATOM 1303 NE ARG A 79 11.136 -11.951 4.334 1.00 0.00 N ATOM 1304 CZ ARG A 79 12.201 -12.083 5.117 1.00 0.00 C ATOM 1305 NH1 ARG A 79 13.394 -11.680 4.695 1.00 0.00 N ATOM 1306 NH2 ARG A 79 12.072 -12.602 6.330 1.00 0.00 N ATOM 0 H ARG A 79 10.053 -13.771 1.163 1.00 0.00 H new ATOM 0 HA ARG A 79 10.096 -11.971 -1.180 1.00 0.00 H new ATOM 0 HB2 ARG A 79 10.659 -10.303 0.718 1.00 0.00 H new ATOM 0 HB3 ARG A 79 9.005 -10.814 0.447 1.00 0.00 H new ATOM 0 HG2 ARG A 79 9.105 -11.007 2.734 1.00 0.00 H new ATOM 0 HG3 ARG A 79 9.571 -12.635 2.283 1.00 0.00 H new ATOM 0 HD2 ARG A 79 11.986 -11.923 2.424 1.00 0.00 H new ATOM 0 HD3 ARG A 79 11.451 -10.362 3.012 1.00 0.00 H new ATOM 0 HE ARG A 79 10.229 -12.237 4.702 1.00 0.00 H new ATOM 0 HH11 ARG A 79 13.494 -11.268 3.767 1.00 0.00 H new ATOM 0 HH12 ARG A 79 14.210 -11.783 5.298 1.00 0.00 H new ATOM 0 HH21 ARG A 79 11.155 -12.900 6.662 1.00 0.00 H new ATOM 0 HH22 ARG A 79 12.890 -12.703 6.931 1.00 0.00 H new ATOM 1320 N LYS A 80 12.481 -12.601 -1.502 1.00 0.00 N ATOM 1321 CA LYS A 80 13.909 -12.756 -1.738 1.00 0.00 C ATOM 1322 C LYS A 80 14.397 -11.786 -2.808 1.00 0.00 C ATOM 1323 O LYS A 80 14.657 -12.185 -3.945 1.00 0.00 O ATOM 1324 CB LYS A 80 14.236 -14.188 -2.165 1.00 0.00 C ATOM 1325 CG LYS A 80 13.910 -15.240 -1.117 1.00 0.00 C ATOM 1326 CD LYS A 80 14.308 -16.630 -1.586 1.00 0.00 C ATOM 1327 CE LYS A 80 15.814 -16.750 -1.772 1.00 0.00 C ATOM 1328 NZ LYS A 80 16.204 -18.065 -2.344 1.00 0.00 N ATOM 0 H LYS A 80 11.900 -12.748 -2.327 1.00 0.00 H new ATOM 0 HA LYS A 80 14.420 -12.535 -0.801 1.00 0.00 H new ATOM 0 HB2 LYS A 80 13.686 -14.418 -3.078 1.00 0.00 H new ATOM 0 HB3 LYS A 80 15.297 -14.250 -2.408 1.00 0.00 H new ATOM 0 HG2 LYS A 80 14.430 -15.005 -0.188 1.00 0.00 H new ATOM 0 HG3 LYS A 80 12.842 -15.220 -0.898 1.00 0.00 H new ATOM 0 HD2 LYS A 80 13.971 -17.370 -0.860 1.00 0.00 H new ATOM 0 HD3 LYS A 80 13.806 -16.855 -2.527 1.00 0.00 H new ATOM 0 HE2 LYS A 80 16.162 -15.952 -2.428 1.00 0.00 H new ATOM 0 HE3 LYS A 80 16.310 -16.612 -0.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 17.238 -18.103 -2.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 15.895 -18.826 -1.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 15.753 -18.187 -3.273 1.00 0.00 H new ATOM 1342 N PRO A 81 14.516 -10.499 -2.469 1.00 0.00 N ATOM 1343 CA PRO A 81 15.067 -9.504 -3.381 1.00 0.00 C ATOM 1344 C PRO A 81 16.586 -9.612 -3.446 1.00 0.00 C ATOM 1345 O PRO A 81 17.259 -9.629 -2.413 1.00 0.00 O ATOM 1346 CB PRO A 81 14.634 -8.176 -2.759 1.00 0.00 C ATOM 1347 CG PRO A 81 14.532 -8.462 -1.301 1.00 0.00 C ATOM 1348 CD PRO A 81 14.127 -9.910 -1.175 1.00 0.00 C ATOM 0 HA PRO A 81 14.719 -9.623 -4.407 1.00 0.00 H new ATOM 0 HB2 PRO A 81 15.361 -7.389 -2.959 1.00 0.00 H new ATOM 0 HB3 PRO A 81 13.680 -7.840 -3.165 1.00 0.00 H new ATOM 0 HG2 PRO A 81 15.484 -8.281 -0.803 1.00 0.00 H new ATOM 0 HG3 PRO A 81 13.796 -7.811 -0.829 1.00 0.00 H new ATOM 0 HD2 PRO A 81 14.638 -10.397 -0.344 1.00 0.00 H new ATOM 0 HD3 PRO A 81 13.057 -10.012 -0.995 1.00 0.00 H new ATOM 1356 N GLN A 82 17.127 -9.697 -4.651 1.00 0.00 N ATOM 1357 CA GLN A 82 18.564 -9.886 -4.826 1.00 0.00 C ATOM 1358 C GLN A 82 19.289 -8.544 -4.715 1.00 0.00 C ATOM 1359 O GLN A 82 20.027 -8.136 -5.612 1.00 0.00 O ATOM 1360 CB GLN A 82 18.847 -10.544 -6.180 1.00 0.00 C ATOM 1361 CG GLN A 82 20.242 -11.142 -6.298 1.00 0.00 C ATOM 1362 CD GLN A 82 20.458 -12.327 -5.373 1.00 0.00 C ATOM 1363 OE1 GLN A 82 19.522 -13.057 -5.044 1.00 0.00 O ATOM 1364 NE2 GLN A 82 21.697 -12.534 -4.955 1.00 0.00 N ATOM 0 H GLN A 82 16.598 -9.639 -5.521 1.00 0.00 H new ATOM 0 HA GLN A 82 18.934 -10.543 -4.039 1.00 0.00 H new ATOM 0 HB2 GLN A 82 18.111 -11.329 -6.352 1.00 0.00 H new ATOM 0 HB3 GLN A 82 18.713 -9.803 -6.968 1.00 0.00 H new ATOM 0 HG2 GLN A 82 20.411 -11.456 -7.328 1.00 0.00 H new ATOM 0 HG3 GLN A 82 20.981 -10.373 -6.074 1.00 0.00 H new ATOM 0 HE21 GLN A 82 22.446 -11.907 -5.249 1.00 0.00 H new ATOM 0 HE22 GLN A 82 21.903 -13.320 -4.339 1.00 0.00 H new ATOM 1373 N ALA A 83 19.058 -7.858 -3.609 1.00 0.00 N ATOM 1374 CA ALA A 83 19.672 -6.565 -3.364 1.00 0.00 C ATOM 1375 C ALA A 83 20.668 -6.669 -2.219 1.00 0.00 C ATOM 1376 O ALA A 83 20.268 -6.460 -1.056 1.00 0.00 O ATOM 1377 CB ALA A 83 18.606 -5.522 -3.058 1.00 0.00 C ATOM 1378 OXT ALA A 83 21.849 -6.982 -2.485 1.00 0.00 O ATOM 0 H ALA A 83 18.444 -8.179 -2.860 1.00 0.00 H new ATOM 0 HA ALA A 83 20.207 -6.252 -4.261 1.00 0.00 H new ATOM 0 HB1 ALA A 83 19.082 -4.558 -2.877 1.00 0.00 H new ATOM 0 HB2 ALA A 83 17.926 -5.437 -3.906 1.00 0.00 H new ATOM 0 HB3 ALA A 83 18.046 -5.823 -2.172 1.00 0.00 H new TER 1384 ALA A 83 ATOM 1385 N GLU B 201 -5.998 9.929 12.348 1.00 0.00 N ATOM 1386 CA GLU B 201 -5.765 9.686 10.906 1.00 0.00 C ATOM 1387 C GLU B 201 -4.530 8.811 10.706 1.00 0.00 C ATOM 1388 O GLU B 201 -3.479 9.058 11.299 1.00 0.00 O ATOM 1389 CB GLU B 201 -5.612 11.014 10.153 1.00 0.00 C ATOM 1390 CG GLU B 201 -4.496 11.905 10.678 1.00 0.00 C ATOM 1391 CD GLU B 201 -4.379 13.205 9.911 1.00 0.00 C ATOM 1392 OE1 GLU B 201 -4.147 13.160 8.688 1.00 0.00 O ATOM 1393 OE2 GLU B 201 -4.500 14.282 10.532 1.00 0.00 O ATOM 0 HA GLU B 201 -6.630 9.161 10.501 1.00 0.00 H new ATOM 0 HB2 GLU B 201 -5.427 10.802 9.100 1.00 0.00 H new ATOM 0 HB3 GLU B 201 -6.554 11.560 10.208 1.00 0.00 H new ATOM 0 HG2 GLU B 201 -4.675 12.123 11.731 1.00 0.00 H new ATOM 0 HG3 GLU B 201 -3.550 11.367 10.621 1.00 0.00 H new ATOM 1402 N ILE B 202 -4.665 7.785 9.877 1.00 0.00 N ATOM 1403 CA ILE B 202 -3.575 6.851 9.638 1.00 0.00 C ATOM 1404 C ILE B 202 -2.739 7.280 8.434 1.00 0.00 C ATOM 1405 O ILE B 202 -3.239 7.342 7.308 1.00 0.00 O ATOM 1406 CB ILE B 202 -4.103 5.414 9.421 1.00 0.00 C ATOM 1407 CG1 ILE B 202 -4.836 4.927 10.678 1.00 0.00 C ATOM 1408 CG2 ILE B 202 -2.968 4.467 9.052 1.00 0.00 C ATOM 1409 CD1 ILE B 202 -5.241 3.470 10.629 1.00 0.00 C ATOM 0 H ILE B 202 -5.519 7.579 9.359 1.00 0.00 H new ATOM 0 HA ILE B 202 -2.944 6.859 10.527 1.00 0.00 H new ATOM 0 HB ILE B 202 -4.808 5.425 8.590 1.00 0.00 H new ATOM 0 HG12 ILE B 202 -4.194 5.086 11.545 1.00 0.00 H new ATOM 0 HG13 ILE B 202 -5.728 5.537 10.825 1.00 0.00 H new ATOM 0 HG21 ILE B 202 -3.365 3.463 8.905 1.00 0.00 H new ATOM 0 HG22 ILE B 202 -2.494 4.808 8.132 1.00 0.00 H new ATOM 0 HG23 ILE B 202 -2.231 4.451 9.855 1.00 0.00 H new ATOM 0 HD11 ILE B 202 -5.753 3.203 11.554 1.00 0.00 H new ATOM 0 HD12 ILE B 202 -5.909 3.306 9.784 1.00 0.00 H new ATOM 0 HD13 ILE B 202 -4.353 2.849 10.514 1.00 0.00 H new ATOM 1421 N LYS B 203 -1.473 7.589 8.688 1.00 0.00 N ATOM 1422 CA LYS B 203 -0.548 7.986 7.632 1.00 0.00 C ATOM 1423 C LYS B 203 0.535 6.930 7.459 1.00 0.00 C ATOM 1424 O LYS B 203 0.844 6.195 8.397 1.00 0.00 O ATOM 1425 CB LYS B 203 0.114 9.322 7.973 1.00 0.00 C ATOM 1426 CG LYS B 203 -0.862 10.439 8.293 1.00 0.00 C ATOM 1427 CD LYS B 203 -0.125 11.726 8.618 1.00 0.00 C ATOM 1428 CE LYS B 203 -1.082 12.832 9.020 1.00 0.00 C ATOM 1429 NZ LYS B 203 -0.381 14.121 9.250 1.00 0.00 N ATOM 0 H LYS B 203 -1.061 7.572 9.621 1.00 0.00 H new ATOM 0 HA LYS B 203 -1.115 8.088 6.707 1.00 0.00 H new ATOM 0 HB2 LYS B 203 0.776 9.178 8.827 1.00 0.00 H new ATOM 0 HB3 LYS B 203 0.738 9.630 7.134 1.00 0.00 H new ATOM 0 HG2 LYS B 203 -1.527 10.600 7.445 1.00 0.00 H new ATOM 0 HG3 LYS B 203 -1.487 10.150 9.138 1.00 0.00 H new ATOM 0 HD2 LYS B 203 0.584 11.546 9.426 1.00 0.00 H new ATOM 0 HD3 LYS B 203 0.454 12.043 7.751 1.00 0.00 H new ATOM 0 HE2 LYS B 203 -1.833 12.962 8.241 1.00 0.00 H new ATOM 0 HE3 LYS B 203 -1.611 12.541 9.927 1.00 0.00 H new ATOM 0 HZ1 LYS B 203 -1.073 14.848 9.523 1.00 0.00 H new ATOM 0 HZ2 LYS B 203 0.318 14.005 10.011 1.00 0.00 H new ATOM 0 HZ3 LYS B 203 0.103 14.413 8.377 1.00 0.00 H new ATOM 1443 N LEU B 204 1.114 6.852 6.271 1.00 0.00 N ATOM 1444 CA LEU B 204 2.224 5.939 6.037 1.00 0.00 C ATOM 1445 C LEU B 204 3.320 6.632 5.242 1.00 0.00 C ATOM 1446 O LEU B 204 3.209 6.797 4.025 1.00 0.00 O ATOM 1447 CB LEU B 204 1.772 4.682 5.285 1.00 0.00 C ATOM 1448 CG LEU B 204 2.387 3.357 5.771 1.00 0.00 C ATOM 1449 CD1 LEU B 204 1.987 2.212 4.854 1.00 0.00 C ATOM 1450 CD2 LEU B 204 3.906 3.439 5.864 1.00 0.00 C ATOM 0 H LEU B 204 0.837 7.404 5.459 1.00 0.00 H new ATOM 0 HA LEU B 204 2.609 5.639 7.012 1.00 0.00 H new ATOM 0 HB2 LEU B 204 0.687 4.607 5.359 1.00 0.00 H new ATOM 0 HB3 LEU B 204 2.011 4.807 4.229 1.00 0.00 H new ATOM 0 HG LEU B 204 1.997 3.169 6.771 1.00 0.00 H new ATOM 0 HD11 LEU B 204 2.432 1.285 5.215 1.00 0.00 H new ATOM 0 HD12 LEU B 204 0.901 2.115 4.846 1.00 0.00 H new ATOM 0 HD13 LEU B 204 2.341 2.415 3.843 1.00 0.00 H new ATOM 0 HD21 LEU B 204 4.301 2.484 6.210 1.00 0.00 H new ATOM 0 HD22 LEU B 204 4.319 3.668 4.881 1.00 0.00 H new ATOM 0 HD23 LEU B 204 4.186 4.224 6.567 1.00 0.00 H new ATOM 1462 N LYS B 205 4.368 7.041 5.934 1.00 0.00 N ATOM 1463 CA LYS B 205 5.549 7.583 5.283 1.00 0.00 C ATOM 1464 C LYS B 205 6.433 6.445 4.807 1.00 0.00 C ATOM 1465 O LYS B 205 7.446 6.142 5.440 1.00 0.00 O ATOM 1466 CB LYS B 205 6.348 8.470 6.244 1.00 0.00 C ATOM 1467 CG LYS B 205 5.655 9.765 6.628 1.00 0.00 C ATOM 1468 CD LYS B 205 6.400 10.981 6.097 1.00 0.00 C ATOM 1469 CE LYS B 205 6.510 10.961 4.590 1.00 0.00 C ATOM 1470 NZ LYS B 205 5.215 11.282 3.950 1.00 0.00 N ATOM 0 H LYS B 205 4.426 7.008 6.952 1.00 0.00 H new ATOM 0 HA LYS B 205 5.225 8.188 4.436 1.00 0.00 H new ATOM 0 HB2 LYS B 205 6.560 7.903 7.151 1.00 0.00 H new ATOM 0 HB3 LYS B 205 7.308 8.708 5.786 1.00 0.00 H new ATOM 0 HG2 LYS B 205 4.637 9.763 6.238 1.00 0.00 H new ATOM 0 HG3 LYS B 205 5.580 9.830 7.713 1.00 0.00 H new ATOM 0 HD2 LYS B 205 5.884 11.888 6.411 1.00 0.00 H new ATOM 0 HD3 LYS B 205 7.398 11.014 6.533 1.00 0.00 H new ATOM 0 HE2 LYS B 205 7.264 11.680 4.269 1.00 0.00 H new ATOM 0 HE3 LYS B 205 6.846 9.978 4.261 1.00 0.00 H new ATOM 0 HZ1 LYS B 205 5.292 11.145 2.922 1.00 0.00 H new ATOM 0 HZ2 LYS B 205 4.476 10.656 4.328 1.00 0.00 H new ATOM 0 HZ3 LYS B 205 4.965 12.272 4.149 1.00 0.00 H new ATOM 1484 N ILE B 206 6.051 5.793 3.714 1.00 0.00 N ATOM 1485 CA ILE B 206 6.852 4.689 3.212 1.00 0.00 C ATOM 1486 C ILE B 206 8.191 5.217 2.704 1.00 0.00 C ATOM 1487 O ILE B 206 8.251 5.899 1.674 1.00 0.00 O ATOM 1488 CB ILE B 206 6.204 3.890 2.055 1.00 0.00 C ATOM 1489 CG1 ILE B 206 4.701 3.703 2.191 1.00 0.00 C ATOM 1490 CG2 ILE B 206 6.826 2.517 2.034 1.00 0.00 C ATOM 1491 CD1 ILE B 206 4.047 3.306 0.882 1.00 0.00 C ATOM 0 H ILE B 206 5.213 6.004 3.172 1.00 0.00 H new ATOM 0 HA ILE B 206 6.958 4.010 4.058 1.00 0.00 H new ATOM 0 HB ILE B 206 6.378 4.463 1.144 1.00 0.00 H new ATOM 0 HG12 ILE B 206 4.499 2.939 2.941 1.00 0.00 H new ATOM 0 HG13 ILE B 206 4.254 4.629 2.551 1.00 0.00 H new ATOM 0 HG21 ILE B 206 6.387 1.931 1.227 1.00 0.00 H new ATOM 0 HG22 ILE B 206 7.901 2.607 1.875 1.00 0.00 H new ATOM 0 HG23 ILE B 206 6.641 2.019 2.986 1.00 0.00 H new ATOM 0 HD11 ILE B 206 2.974 3.185 1.033 1.00 0.00 H new ATOM 0 HD12 ILE B 206 4.223 4.082 0.137 1.00 0.00 H new ATOM 0 HD13 ILE B 206 4.473 2.365 0.533 1.00 0.00 H new ATOM 1503 N THR B 207 9.258 4.917 3.424 1.00 0.00 N ATOM 1504 CA THR B 207 10.584 5.355 3.031 1.00 0.00 C ATOM 1505 C THR B 207 11.289 4.275 2.219 1.00 0.00 C ATOM 1506 O THR B 207 11.487 3.156 2.693 1.00 0.00 O ATOM 1507 CB THR B 207 11.431 5.738 4.261 1.00 0.00 C ATOM 1508 OG1 THR B 207 11.318 4.731 5.273 1.00 0.00 O ATOM 1509 CG2 THR B 207 10.987 7.081 4.822 1.00 0.00 C ATOM 0 H THR B 207 9.231 4.371 4.285 1.00 0.00 H new ATOM 0 HA THR B 207 10.470 6.242 2.407 1.00 0.00 H new ATOM 0 HB THR B 207 12.472 5.816 3.947 1.00 0.00 H new ATOM 0 HG1 THR B 207 11.358 3.844 4.858 1.00 0.00 H new ATOM 0 HG21 THR B 207 11.597 7.333 5.689 1.00 0.00 H new ATOM 0 HG22 THR B 207 11.105 7.851 4.059 1.00 0.00 H new ATOM 0 HG23 THR B 207 9.940 7.023 5.120 1.00 0.00 H new ATOM 1517 N LYS B 208 11.652 4.625 0.985 1.00 0.00 N ATOM 1518 CA LYS B 208 12.264 3.684 0.049 1.00 0.00 C ATOM 1519 C LYS B 208 12.501 4.371 -1.297 1.00 0.00 C ATOM 1520 O LYS B 208 12.374 5.592 -1.384 1.00 0.00 O ATOM 1521 CB LYS B 208 11.393 2.424 -0.143 1.00 0.00 C ATOM 1522 CG LYS B 208 10.216 2.589 -1.100 1.00 0.00 C ATOM 1523 CD LYS B 208 9.016 3.272 -0.464 1.00 0.00 C ATOM 1524 CE LYS B 208 8.687 4.588 -1.140 1.00 0.00 C ATOM 1525 NZ LYS B 208 9.639 5.657 -0.766 1.00 0.00 N ATOM 0 H LYS B 208 11.530 5.565 0.608 1.00 0.00 H new ATOM 0 HA LYS B 208 13.218 3.365 0.468 1.00 0.00 H new ATOM 0 HB2 LYS B 208 12.027 1.616 -0.508 1.00 0.00 H new ATOM 0 HB3 LYS B 208 11.010 2.115 0.829 1.00 0.00 H new ATOM 0 HG2 LYS B 208 10.539 3.168 -1.965 1.00 0.00 H new ATOM 0 HG3 LYS B 208 9.915 1.608 -1.467 1.00 0.00 H new ATOM 0 HD2 LYS B 208 8.151 2.610 -0.518 1.00 0.00 H new ATOM 0 HD3 LYS B 208 9.217 3.448 0.593 1.00 0.00 H new ATOM 0 HE2 LYS B 208 8.700 4.453 -2.222 1.00 0.00 H new ATOM 0 HE3 LYS B 208 7.676 4.892 -0.869 1.00 0.00 H new ATOM 0 HZ1 LYS B 208 9.330 6.559 -1.182 1.00 0.00 H new ATOM 0 HZ2 LYS B 208 9.671 5.746 0.270 1.00 0.00 H new ATOM 0 HZ3 LYS B 208 10.586 5.418 -1.122 1.00 0.00 H new ATOM 1539 N THR B 209 12.816 3.572 -2.324 1.00 0.00 N ATOM 1540 CA THR B 209 13.049 4.031 -3.706 1.00 0.00 C ATOM 1541 C THR B 209 14.229 4.991 -3.823 1.00 0.00 C ATOM 1542 O THR B 209 14.763 5.474 -2.821 1.00 0.00 O ATOM 1543 CB THR B 209 11.800 4.674 -4.379 1.00 0.00 C ATOM 1544 OG1 THR B 209 11.351 5.823 -3.657 1.00 0.00 O ATOM 1545 CG2 THR B 209 10.656 3.683 -4.488 1.00 0.00 C ATOM 0 H THR B 209 12.919 2.563 -2.218 1.00 0.00 H new ATOM 0 HA THR B 209 13.283 3.113 -4.244 1.00 0.00 H new ATOM 0 HB THR B 209 12.108 4.977 -5.380 1.00 0.00 H new ATOM 0 HG1 THR B 209 11.985 6.026 -2.938 1.00 0.00 H new ATOM 0 HG21 THR B 209 9.801 4.165 -4.962 1.00 0.00 H new ATOM 0 HG22 THR B 209 10.970 2.829 -5.088 1.00 0.00 H new ATOM 0 HG23 THR B 209 10.374 3.342 -3.492 1.00 0.00 H new ATOM 1553 N ILE B 210 14.629 5.238 -5.071 1.00 0.00 N ATOM 1554 CA ILE B 210 15.720 6.149 -5.398 1.00 0.00 C ATOM 1555 C ILE B 210 16.986 5.790 -4.623 1.00 0.00 C ATOM 1556 O ILE B 210 17.341 6.437 -3.635 1.00 0.00 O ATOM 1557 CB ILE B 210 15.339 7.625 -5.135 1.00 0.00 C ATOM 1558 CG1 ILE B 210 13.964 7.948 -5.737 1.00 0.00 C ATOM 1559 CG2 ILE B 210 16.398 8.557 -5.714 1.00 0.00 C ATOM 1560 CD1 ILE B 210 13.888 7.772 -7.239 1.00 0.00 C ATOM 0 H ILE B 210 14.199 4.806 -5.889 1.00 0.00 H new ATOM 0 HA ILE B 210 15.916 6.037 -6.464 1.00 0.00 H new ATOM 0 HB ILE B 210 15.287 7.777 -4.057 1.00 0.00 H new ATOM 0 HG12 ILE B 210 13.216 7.309 -5.269 1.00 0.00 H new ATOM 0 HG13 ILE B 210 13.704 8.977 -5.489 1.00 0.00 H new ATOM 0 HG21 ILE B 210 16.116 9.592 -5.521 1.00 0.00 H new ATOM 0 HG22 ILE B 210 17.360 8.350 -5.246 1.00 0.00 H new ATOM 0 HG23 ILE B 210 16.475 8.396 -6.789 1.00 0.00 H new ATOM 0 HD11 ILE B 210 12.884 8.020 -7.584 1.00 0.00 H new ATOM 0 HD12 ILE B 210 14.610 8.432 -7.720 1.00 0.00 H new ATOM 0 HD13 ILE B 210 14.114 6.737 -7.496 1.00 0.00 H new ATOM 1572 N GLN B 211 17.649 4.732 -5.067 1.00 0.00 N ATOM 1573 CA GLN B 211 18.892 4.305 -4.452 1.00 0.00 C ATOM 1574 C GLN B 211 20.010 5.259 -4.847 1.00 0.00 C ATOM 1575 O GLN B 211 20.270 5.464 -6.037 1.00 0.00 O ATOM 1576 CB GLN B 211 19.242 2.879 -4.881 1.00 0.00 C ATOM 1577 CG GLN B 211 18.166 1.851 -4.557 1.00 0.00 C ATOM 1578 CD GLN B 211 17.878 1.741 -3.072 1.00 0.00 C ATOM 1579 OE1 GLN B 211 16.998 2.417 -2.542 1.00 0.00 O ATOM 1580 NE2 GLN B 211 18.623 0.892 -2.387 1.00 0.00 N ATOM 0 H GLN B 211 17.345 4.155 -5.851 1.00 0.00 H new ATOM 0 HA GLN B 211 18.772 4.317 -3.369 1.00 0.00 H new ATOM 0 HB2 GLN B 211 19.427 2.869 -5.955 1.00 0.00 H new ATOM 0 HB3 GLN B 211 20.171 2.582 -4.395 1.00 0.00 H new ATOM 0 HG2 GLN B 211 17.248 2.117 -5.081 1.00 0.00 H new ATOM 0 HG3 GLN B 211 18.477 0.877 -4.934 1.00 0.00 H new ATOM 0 HE21 GLN B 211 19.344 0.348 -2.861 1.00 0.00 H new ATOM 0 HE22 GLN B 211 18.477 0.780 -1.384 1.00 0.00 H new ATOM 1589 N ASN B 212 20.650 5.857 -3.858 1.00 0.00 N ATOM 1590 CA ASN B 212 21.712 6.818 -4.112 1.00 0.00 C ATOM 1591 C ASN B 212 23.077 6.138 -4.112 1.00 0.00 C ATOM 1592 O ASN B 212 23.497 5.613 -3.059 1.00 0.00 O ATOM 1593 CB ASN B 212 21.652 8.002 -3.123 1.00 0.00 C ATOM 1594 CG ASN B 212 21.387 7.616 -1.670 1.00 0.00 C ATOM 1595 OD1 ASN B 212 20.663 8.315 -0.958 1.00 0.00 O ATOM 1596 ND2 ASN B 212 21.984 6.535 -1.208 1.00 0.00 N ATOM 1597 OXT ASN B 212 23.720 6.112 -5.182 1.00 0.00 O ATOM 0 H ASN B 212 20.454 5.695 -2.870 1.00 0.00 H new ATOM 0 HA ASN B 212 21.558 7.233 -5.108 1.00 0.00 H new ATOM 0 HB2 ASN B 212 22.596 8.545 -3.173 1.00 0.00 H new ATOM 0 HB3 ASN B 212 20.871 8.689 -3.449 1.00 0.00 H new ATOM 0 HD21 ASN B 212 21.853 6.256 -0.236 1.00 0.00 H new ATOM 0 HD22 ASN B 212 22.577 5.978 -1.823 1.00 0.00 H new TER 1604 ASN B 212