USER MOD reduce.3.24.130724 H: found=0, std=0, add=877, rem=0, adj=26 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 45 HIS : no HD1:sc= -5.73! C(o=-8.6!,f=-8!) USER MOD Set 1.2: A 49 ASN : amide:sc= -2.91 K(o=-8.6,f=-4.6) USER MOD Set 2.1: A 34 SER OG : rot 124:sc= 0.821 USER MOD Set 2.2: A 36 ASN : amide:sc= 0.607 X(o=1.4,f=0.94) USER MOD Set 3.1: A 18 ASN : amide:sc= -3.78! C(o=-3.7!,f=-4.8!) USER MOD Set 3.2: A 90 THR OG1 : rot 180:sc= 0.0352 USER MOD Single : A 1 GLY N :NH3+ 131:sc= 0.0228 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 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 180:sc= -0.554 (180deg=-0.554) 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 48:sc= -2.02 USER MOD Single : A 29 LYS NZ :NH3+ 172:sc= 0.236 (180deg=0.211) 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 47 TYR OH : rot -77:sc= -0.82! USER MOD Single : A 52 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 58 GLN : amide:sc= -0.297 K(o=-0.3,f=-2.2!) USER MOD Single : A 60 SER OG : rot 42:sc= 1.22 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 63 ASN : amide:sc=-0.00119 X(o=-0.0012,f=0) USER MOD Single : A 69 TYR OH : rot 30:sc= 0 USER MOD Single : A 70 GLN : amide:sc=-0.00395 X(o=-0.0039,f=-0.0088) USER MOD Single : A 75 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 77 ASN : amide:sc= -0.0704 X(o=-0.07,f=-0.4) 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 160:sc= 0 USER MOD Single : A 93 MET CE :methyl -175:sc= -5.59! (180deg=-5.77!) USER MOD Single : A 94 HIS : no HD1:sc= -2.19! K(o=-2.2!,f=-1.1) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 ASN : amide:sc= -2.79! C(o=-2.8!,f=-6!) USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 107 GLN : amide:sc=-0.00142 K(o=-0.0014,f=-1.1) USER MOD Single : A 109 GLN : amide:sc= -0.0305 K(o=-0.03,f=-1.4) 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 -49.038 -13.487 -7.626 1.00 0.00 N ATOM 2 CA GLY A 1 -47.761 -13.003 -8.121 1.00 0.00 C ATOM 3 C GLY A 1 -46.741 -12.888 -6.986 1.00 0.00 C ATOM 4 O GLY A 1 -47.095 -12.536 -5.862 1.00 0.00 O ATOM 0 H1 GLY A 1 -49.802 -12.875 -7.979 1.00 0.00 H new ATOM 0 H2 GLY A 1 -49.193 -14.460 -7.958 1.00 0.00 H new ATOM 0 H3 GLY A 1 -49.035 -13.472 -6.586 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -47.383 -13.680 -8.887 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -47.895 -12.030 -8.594 1.00 0.00 H new ATOM 8 N SER A 2 -45.495 -13.191 -7.320 1.00 0.00 N ATOM 9 CA SER A 2 -44.422 -13.125 -6.343 1.00 0.00 C ATOM 10 C SER A 2 -43.067 -13.223 -7.047 1.00 0.00 C ATOM 11 O SER A 2 -42.956 -13.840 -8.105 1.00 0.00 O ATOM 12 CB SER A 2 -44.558 -14.236 -5.299 1.00 0.00 C ATOM 13 OG SER A 2 -43.560 -14.143 -4.287 1.00 0.00 O ATOM 0 H SER A 2 -45.205 -13.483 -8.253 1.00 0.00 H new ATOM 0 HA SER A 2 -44.489 -12.167 -5.827 1.00 0.00 H new ATOM 0 HB2 SER A 2 -45.545 -14.183 -4.840 1.00 0.00 H new ATOM 0 HB3 SER A 2 -44.486 -15.206 -5.791 1.00 0.00 H new ATOM 0 HG SER A 2 -43.682 -14.868 -3.639 1.00 0.00 H new ATOM 19 N SER A 3 -42.070 -12.604 -6.431 1.00 0.00 N ATOM 20 CA SER A 3 -40.727 -12.613 -6.985 1.00 0.00 C ATOM 21 C SER A 3 -39.761 -11.913 -6.027 1.00 0.00 C ATOM 22 O SER A 3 -40.096 -10.884 -5.444 1.00 0.00 O ATOM 23 CB SER A 3 -40.693 -11.939 -8.359 1.00 0.00 C ATOM 24 OG SER A 3 -40.113 -12.781 -9.352 1.00 0.00 O ATOM 0 H SER A 3 -42.166 -12.093 -5.553 1.00 0.00 H new ATOM 0 HA SER A 3 -40.416 -13.650 -7.111 1.00 0.00 H new ATOM 0 HB2 SER A 3 -41.707 -11.672 -8.657 1.00 0.00 H new ATOM 0 HB3 SER A 3 -40.125 -11.011 -8.294 1.00 0.00 H new ATOM 0 HG SER A 3 -40.111 -12.316 -10.215 1.00 0.00 H new ATOM 30 N GLY A 4 -38.580 -12.501 -5.895 1.00 0.00 N ATOM 31 CA GLY A 4 -37.563 -11.947 -5.017 1.00 0.00 C ATOM 32 C GLY A 4 -36.316 -12.833 -4.996 1.00 0.00 C ATOM 33 O GLY A 4 -35.930 -13.392 -6.021 1.00 0.00 O ATOM 0 H GLY A 4 -38.305 -13.355 -6.381 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -37.296 -10.944 -5.351 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -37.962 -11.851 -4.007 1.00 0.00 H new ATOM 37 N SER A 5 -35.721 -12.933 -3.816 1.00 0.00 N ATOM 38 CA SER A 5 -34.525 -13.741 -3.648 1.00 0.00 C ATOM 39 C SER A 5 -33.400 -13.201 -4.533 1.00 0.00 C ATOM 40 O SER A 5 -33.252 -13.620 -5.680 1.00 0.00 O ATOM 41 CB SER A 5 -34.802 -15.209 -3.977 1.00 0.00 C ATOM 42 OG SER A 5 -34.009 -16.092 -3.189 1.00 0.00 O ATOM 0 H SER A 5 -36.045 -12.468 -2.968 1.00 0.00 H new ATOM 0 HA SER A 5 -34.216 -13.683 -2.604 1.00 0.00 H new ATOM 0 HB2 SER A 5 -35.858 -15.425 -3.811 1.00 0.00 H new ATOM 0 HB3 SER A 5 -34.602 -15.388 -5.034 1.00 0.00 H new ATOM 0 HG SER A 5 -34.217 -17.019 -3.428 1.00 0.00 H new ATOM 48 N SER A 6 -32.635 -12.280 -3.966 1.00 0.00 N ATOM 49 CA SER A 6 -31.527 -11.679 -4.689 1.00 0.00 C ATOM 50 C SER A 6 -30.349 -11.444 -3.741 1.00 0.00 C ATOM 51 O SER A 6 -30.536 -11.321 -2.532 1.00 0.00 O ATOM 52 CB SER A 6 -31.948 -10.364 -5.348 1.00 0.00 C ATOM 53 OG SER A 6 -31.745 -10.384 -6.758 1.00 0.00 O ATOM 0 H SER A 6 -32.760 -11.935 -3.014 1.00 0.00 H new ATOM 0 HA SER A 6 -31.220 -12.367 -5.477 1.00 0.00 H new ATOM 0 HB2 SER A 6 -33.000 -10.173 -5.136 1.00 0.00 H new ATOM 0 HB3 SER A 6 -31.380 -9.542 -4.912 1.00 0.00 H new ATOM 0 HG SER A 6 -32.027 -9.527 -7.141 1.00 0.00 H new ATOM 59 N GLY A 7 -29.162 -11.389 -4.327 1.00 0.00 N ATOM 60 CA GLY A 7 -27.954 -11.171 -3.549 1.00 0.00 C ATOM 61 C GLY A 7 -26.710 -11.247 -4.437 1.00 0.00 C ATOM 62 O GLY A 7 -26.639 -12.074 -5.344 1.00 0.00 O ATOM 0 H GLY A 7 -29.011 -11.492 -5.331 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -28.000 -10.196 -3.064 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -27.887 -11.918 -2.758 1.00 0.00 H new ATOM 66 N MET A 8 -25.759 -10.372 -4.144 1.00 0.00 N ATOM 67 CA MET A 8 -24.521 -10.329 -4.904 1.00 0.00 C ATOM 68 C MET A 8 -23.336 -10.782 -4.048 1.00 0.00 C ATOM 69 O MET A 8 -23.335 -10.591 -2.833 1.00 0.00 O ATOM 70 CB MET A 8 -24.276 -8.903 -5.401 1.00 0.00 C ATOM 71 CG MET A 8 -23.863 -8.900 -6.874 1.00 0.00 C ATOM 72 SD MET A 8 -24.759 -7.634 -7.757 1.00 0.00 S ATOM 73 CE MET A 8 -23.850 -7.625 -9.294 1.00 0.00 C ATOM 0 H MET A 8 -25.821 -9.687 -3.391 1.00 0.00 H new ATOM 0 HA MET A 8 -24.613 -11.008 -5.752 1.00 0.00 H new ATOM 0 HB2 MET A 8 -25.180 -8.308 -5.272 1.00 0.00 H new ATOM 0 HB3 MET A 8 -23.497 -8.433 -4.800 1.00 0.00 H new ATOM 0 HG2 MET A 8 -22.791 -8.724 -6.959 1.00 0.00 H new ATOM 0 HG3 MET A 8 -24.063 -9.875 -7.318 1.00 0.00 H new ATOM 0 HE1 MET A 8 -24.281 -6.884 -9.967 1.00 0.00 H new ATOM 0 HE2 MET A 8 -22.807 -7.375 -9.099 1.00 0.00 H new ATOM 0 HE3 MET A 8 -23.906 -8.611 -9.756 1.00 0.00 H new ATOM 83 N SER A 9 -22.357 -11.373 -4.716 1.00 0.00 N ATOM 84 CA SER A 9 -21.168 -11.855 -4.032 1.00 0.00 C ATOM 85 C SER A 9 -20.023 -10.855 -4.206 1.00 0.00 C ATOM 86 O SER A 9 -19.266 -10.936 -5.171 1.00 0.00 O ATOM 87 CB SER A 9 -20.754 -13.233 -4.552 1.00 0.00 C ATOM 88 OG SER A 9 -21.146 -14.278 -3.666 1.00 0.00 O ATOM 0 H SER A 9 -22.362 -11.529 -5.724 1.00 0.00 H new ATOM 0 HA SER A 9 -21.399 -11.952 -2.971 1.00 0.00 H new ATOM 0 HB2 SER A 9 -21.202 -13.401 -5.531 1.00 0.00 H new ATOM 0 HB3 SER A 9 -19.673 -13.259 -4.688 1.00 0.00 H new ATOM 0 HG SER A 9 -20.865 -15.142 -4.034 1.00 0.00 H new ATOM 94 N SER A 10 -19.933 -9.936 -3.256 1.00 0.00 N ATOM 95 CA SER A 10 -18.893 -8.922 -3.292 1.00 0.00 C ATOM 96 C SER A 10 -18.074 -8.966 -2.000 1.00 0.00 C ATOM 97 O SER A 10 -18.470 -8.388 -0.989 1.00 0.00 O ATOM 98 CB SER A 10 -19.490 -7.528 -3.494 1.00 0.00 C ATOM 99 OG SER A 10 -19.339 -7.072 -4.836 1.00 0.00 O ATOM 0 H SER A 10 -20.563 -9.872 -2.457 1.00 0.00 H new ATOM 0 HA SER A 10 -18.238 -9.134 -4.137 1.00 0.00 H new ATOM 0 HB2 SER A 10 -20.548 -7.546 -3.234 1.00 0.00 H new ATOM 0 HB3 SER A 10 -19.007 -6.825 -2.816 1.00 0.00 H new ATOM 0 HG SER A 10 -19.734 -6.180 -4.925 1.00 0.00 H new ATOM 105 N HIS A 11 -16.947 -9.658 -2.076 1.00 0.00 N ATOM 106 CA HIS A 11 -16.068 -9.786 -0.925 1.00 0.00 C ATOM 107 C HIS A 11 -14.677 -10.224 -1.388 1.00 0.00 C ATOM 108 O HIS A 11 -14.549 -10.997 -2.336 1.00 0.00 O ATOM 109 CB HIS A 11 -16.671 -10.729 0.117 1.00 0.00 C ATOM 110 CG HIS A 11 -15.944 -10.729 1.440 1.00 0.00 C ATOM 111 ND1 HIS A 11 -15.188 -11.801 1.881 1.00 0.00 N ATOM 112 CD2 HIS A 11 -15.864 -9.776 2.413 1.00 0.00 C ATOM 113 CE1 HIS A 11 -14.682 -11.497 3.067 1.00 0.00 C ATOM 114 NE2 HIS A 11 -15.102 -10.241 3.395 1.00 0.00 N ATOM 0 H HIS A 11 -16.622 -10.136 -2.916 1.00 0.00 H new ATOM 0 HA HIS A 11 -15.961 -8.818 -0.435 1.00 0.00 H new ATOM 0 HB2 HIS A 11 -17.711 -10.450 0.286 1.00 0.00 H new ATOM 0 HB3 HIS A 11 -16.674 -11.743 -0.284 1.00 0.00 H new ATOM 0 HD2 HIS A 11 -16.340 -8.807 2.388 1.00 0.00 H new ATOM 0 HE1 HIS A 11 -14.048 -12.132 3.669 1.00 0.00 H new ATOM 0 HE2 HIS A 11 -14.869 -9.742 4.253 1.00 0.00 H new ATOM 122 N VAL A 12 -13.670 -9.711 -0.696 1.00 0.00 N ATOM 123 CA VAL A 12 -12.293 -10.040 -1.024 1.00 0.00 C ATOM 124 C VAL A 12 -12.018 -11.497 -0.647 1.00 0.00 C ATOM 125 O VAL A 12 -12.433 -11.956 0.416 1.00 0.00 O ATOM 126 CB VAL A 12 -11.343 -9.055 -0.340 1.00 0.00 C ATOM 127 CG1 VAL A 12 -9.883 -9.438 -0.591 1.00 0.00 C ATOM 128 CG2 VAL A 12 -11.620 -7.621 -0.794 1.00 0.00 C ATOM 0 H VAL A 12 -13.780 -9.070 0.090 1.00 0.00 H new ATOM 0 HA VAL A 12 -12.122 -9.944 -2.096 1.00 0.00 H new ATOM 0 HB VAL A 12 -11.523 -9.106 0.734 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -9.228 -8.722 -0.094 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -9.696 -10.436 -0.195 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -9.684 -9.429 -1.663 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -10.931 -6.941 -0.293 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -11.482 -7.548 -1.873 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -12.645 -7.351 -0.541 1.00 0.00 H new ATOM 138 N PRO A 13 -11.300 -12.202 -1.562 1.00 0.00 N ATOM 139 CA PRO A 13 -10.964 -13.597 -1.336 1.00 0.00 C ATOM 140 C PRO A 13 -9.843 -13.731 -0.303 1.00 0.00 C ATOM 141 O PRO A 13 -9.413 -12.739 0.283 1.00 0.00 O ATOM 142 CB PRO A 13 -10.578 -14.136 -2.703 1.00 0.00 C ATOM 143 CG PRO A 13 -10.264 -12.918 -3.558 1.00 0.00 C ATOM 144 CD PRO A 13 -10.791 -11.691 -2.831 1.00 0.00 C ATOM 0 HA PRO A 13 -11.794 -14.166 -0.918 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -9.714 -14.797 -2.633 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -11.391 -14.719 -3.137 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -9.190 -12.833 -3.722 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -10.730 -13.010 -4.539 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -10.003 -10.955 -2.674 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -11.577 -11.199 -3.404 1.00 0.00 H new ATOM 152 N ALA A 14 -9.403 -14.966 -0.111 1.00 0.00 N ATOM 153 CA ALA A 14 -8.341 -15.242 0.841 1.00 0.00 C ATOM 154 C ALA A 14 -7.042 -15.523 0.083 1.00 0.00 C ATOM 155 O ALA A 14 -6.030 -15.875 0.687 1.00 0.00 O ATOM 156 CB ALA A 14 -8.753 -16.407 1.743 1.00 0.00 C ATOM 0 H ALA A 14 -9.763 -15.787 -0.599 1.00 0.00 H new ATOM 0 HA ALA A 14 -8.168 -14.378 1.483 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -7.956 -16.614 2.457 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -9.664 -16.146 2.282 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -8.933 -17.293 1.134 1.00 0.00 H new ATOM 162 N ASP A 15 -7.113 -15.357 -1.230 1.00 0.00 N ATOM 163 CA ASP A 15 -5.956 -15.589 -2.077 1.00 0.00 C ATOM 164 C ASP A 15 -5.393 -14.244 -2.543 1.00 0.00 C ATOM 165 O ASP A 15 -4.219 -14.148 -2.896 1.00 0.00 O ATOM 166 CB ASP A 15 -6.336 -16.398 -3.319 1.00 0.00 C ATOM 167 CG ASP A 15 -5.269 -17.384 -3.799 1.00 0.00 C ATOM 168 OD1 ASP A 15 -4.259 -16.901 -4.355 1.00 0.00 O ATOM 169 OD2 ASP A 15 -5.487 -18.598 -3.600 1.00 0.00 O ATOM 0 H ASP A 15 -7.954 -15.065 -1.728 1.00 0.00 H new ATOM 0 HA ASP A 15 -5.219 -16.144 -1.497 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -7.252 -16.951 -3.108 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -6.561 -15.706 -4.130 1.00 0.00 H new ATOM 174 N MET A 16 -6.258 -13.241 -2.530 1.00 0.00 N ATOM 175 CA MET A 16 -5.862 -11.906 -2.946 1.00 0.00 C ATOM 176 C MET A 16 -5.708 -10.978 -1.740 1.00 0.00 C ATOM 177 O MET A 16 -6.090 -11.333 -0.626 1.00 0.00 O ATOM 178 CB MET A 16 -6.915 -11.335 -3.899 1.00 0.00 C ATOM 179 CG MET A 16 -6.971 -12.140 -5.199 1.00 0.00 C ATOM 180 SD MET A 16 -7.514 -11.095 -6.541 1.00 0.00 S ATOM 181 CE MET A 16 -5.948 -10.406 -7.049 1.00 0.00 C ATOM 0 H MET A 16 -7.232 -13.326 -2.238 1.00 0.00 H new ATOM 0 HA MET A 16 -4.899 -11.975 -3.452 1.00 0.00 H new ATOM 0 HB2 MET A 16 -7.892 -11.348 -3.417 1.00 0.00 H new ATOM 0 HB3 MET A 16 -6.683 -10.294 -4.122 1.00 0.00 H new ATOM 0 HG2 MET A 16 -5.987 -12.553 -5.424 1.00 0.00 H new ATOM 0 HG3 MET A 16 -7.652 -12.983 -5.085 1.00 0.00 H new ATOM 0 HE1 MET A 16 -6.104 -9.725 -7.885 1.00 0.00 H new ATOM 0 HE2 MET A 16 -5.503 -9.862 -6.216 1.00 0.00 H new ATOM 0 HE3 MET A 16 -5.279 -11.210 -7.356 1.00 0.00 H new ATOM 191 N ILE A 17 -5.148 -9.806 -2.003 1.00 0.00 N ATOM 192 CA ILE A 17 -4.939 -8.824 -0.952 1.00 0.00 C ATOM 193 C ILE A 17 -5.568 -7.494 -1.371 1.00 0.00 C ATOM 194 O ILE A 17 -5.165 -6.900 -2.370 1.00 0.00 O ATOM 195 CB ILE A 17 -3.452 -8.720 -0.605 1.00 0.00 C ATOM 196 CG1 ILE A 17 -2.911 -10.059 -0.100 1.00 0.00 C ATOM 197 CG2 ILE A 17 -3.201 -7.587 0.392 1.00 0.00 C ATOM 198 CD1 ILE A 17 -1.497 -10.312 -0.625 1.00 0.00 C ATOM 0 H ILE A 17 -4.833 -9.514 -2.928 1.00 0.00 H new ATOM 0 HA ILE A 17 -5.436 -9.136 -0.033 1.00 0.00 H new ATOM 0 HB ILE A 17 -2.905 -8.476 -1.515 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -2.905 -10.065 0.990 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -3.571 -10.866 -0.419 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -2.137 -7.534 0.622 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -3.526 -6.642 -0.042 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -3.761 -7.777 1.307 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -1.136 -11.270 -0.251 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -1.511 -10.330 -1.715 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -0.834 -9.517 -0.284 1.00 0.00 H new ATOM 210 N ASN A 18 -6.545 -7.065 -0.586 1.00 0.00 N ATOM 211 CA ASN A 18 -7.234 -5.816 -0.863 1.00 0.00 C ATOM 212 C ASN A 18 -6.375 -4.647 -0.377 1.00 0.00 C ATOM 213 O ASN A 18 -5.988 -4.600 0.790 1.00 0.00 O ATOM 214 CB ASN A 18 -8.576 -5.753 -0.132 1.00 0.00 C ATOM 215 CG ASN A 18 -9.654 -5.125 -1.018 1.00 0.00 C ATOM 216 OD1 ASN A 18 -9.762 -5.403 -2.201 1.00 0.00 O ATOM 217 ND2 ASN A 18 -10.443 -4.264 -0.382 1.00 0.00 N ATOM 0 H ASN A 18 -6.876 -7.560 0.242 1.00 0.00 H new ATOM 0 HA ASN A 18 -7.406 -5.757 -1.938 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -8.881 -6.757 0.162 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -8.468 -5.171 0.784 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -11.193 -3.791 -0.886 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -10.298 -4.076 0.610 1.00 0.00 H new ATOM 224 N LEU A 19 -6.103 -3.731 -1.295 1.00 0.00 N ATOM 225 CA LEU A 19 -5.298 -2.565 -0.974 1.00 0.00 C ATOM 226 C LEU A 19 -6.171 -1.311 -1.048 1.00 0.00 C ATOM 227 O LEU A 19 -7.079 -1.230 -1.874 1.00 0.00 O ATOM 228 CB LEU A 19 -4.060 -2.506 -1.871 1.00 0.00 C ATOM 229 CG LEU A 19 -2.828 -3.258 -1.365 1.00 0.00 C ATOM 230 CD1 LEU A 19 -2.065 -2.428 -0.330 1.00 0.00 C ATOM 231 CD2 LEU A 19 -3.211 -4.637 -0.823 1.00 0.00 C ATOM 0 H LEU A 19 -6.426 -3.773 -2.262 1.00 0.00 H new ATOM 0 HA LEU A 19 -4.921 -2.631 0.047 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -4.326 -2.903 -2.851 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -3.789 -1.460 -2.014 1.00 0.00 H new ATOM 0 HG LEU A 19 -2.156 -3.418 -2.208 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -1.194 -2.986 0.013 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -1.741 -1.491 -0.783 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -2.716 -2.215 0.518 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.317 -5.150 -0.470 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -3.913 -4.521 0.003 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -3.677 -5.223 -1.615 1.00 0.00 H new ATOM 243 N ARG A 20 -5.867 -0.364 -0.173 1.00 0.00 N ATOM 244 CA ARG A 20 -6.613 0.882 -0.128 1.00 0.00 C ATOM 245 C ARG A 20 -5.769 2.026 -0.692 1.00 0.00 C ATOM 246 O ARG A 20 -4.818 2.474 -0.054 1.00 0.00 O ATOM 247 CB ARG A 20 -7.030 1.223 1.304 1.00 0.00 C ATOM 248 CG ARG A 20 -8.464 1.755 1.345 1.00 0.00 C ATOM 249 CD ARG A 20 -8.922 1.986 2.787 1.00 0.00 C ATOM 250 NE ARG A 20 -10.334 1.569 2.942 1.00 0.00 N ATOM 251 CZ ARG A 20 -10.939 1.392 4.125 1.00 0.00 C ATOM 252 NH1 ARG A 20 -10.259 1.594 5.262 1.00 0.00 N ATOM 253 NH2 ARG A 20 -12.223 1.012 4.170 1.00 0.00 N ATOM 0 H ARG A 20 -5.114 -0.435 0.511 1.00 0.00 H new ATOM 0 HA ARG A 20 -7.510 0.754 -0.734 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -6.950 0.335 1.931 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -6.350 1.968 1.717 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -8.525 2.689 0.786 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -9.133 1.046 0.856 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -8.290 1.422 3.473 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -8.814 3.039 3.047 1.00 0.00 H new ATOM 0 HE ARG A 20 -10.880 1.406 2.096 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -9.281 1.882 5.227 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -10.719 1.459 6.162 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -12.740 0.857 3.304 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -12.684 0.877 5.070 1.00 0.00 H new ATOM 267 N LEU A 21 -6.148 2.466 -1.883 1.00 0.00 N ATOM 268 CA LEU A 21 -5.437 3.550 -2.541 1.00 0.00 C ATOM 269 C LEU A 21 -6.131 4.876 -2.222 1.00 0.00 C ATOM 270 O LEU A 21 -7.310 5.052 -2.523 1.00 0.00 O ATOM 271 CB LEU A 21 -5.303 3.271 -4.039 1.00 0.00 C ATOM 272 CG LEU A 21 -4.421 2.081 -4.424 1.00 0.00 C ATOM 273 CD1 LEU A 21 -2.938 2.427 -4.273 1.00 0.00 C ATOM 274 CD2 LEU A 21 -4.804 0.834 -3.625 1.00 0.00 C ATOM 0 H LEU A 21 -6.938 2.092 -2.409 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.418 3.623 -2.162 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -6.300 3.106 -4.448 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -4.904 4.164 -4.520 1.00 0.00 H new ATOM 0 HG LEU A 21 -4.593 1.854 -5.476 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -2.333 1.565 -4.553 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -2.693 3.268 -4.921 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -2.731 2.695 -3.237 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -4.162 0.003 -3.918 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -4.679 1.031 -2.560 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -5.844 0.578 -3.827 1.00 0.00 H new ATOM 286 N ILE A 22 -5.368 5.775 -1.617 1.00 0.00 N ATOM 287 CA ILE A 22 -5.895 7.079 -1.253 1.00 0.00 C ATOM 288 C ILE A 22 -5.339 8.134 -2.213 1.00 0.00 C ATOM 289 O ILE A 22 -4.129 8.346 -2.274 1.00 0.00 O ATOM 290 CB ILE A 22 -5.613 7.379 0.220 1.00 0.00 C ATOM 291 CG1 ILE A 22 -6.342 6.389 1.130 1.00 0.00 C ATOM 292 CG2 ILE A 22 -5.959 8.831 0.560 1.00 0.00 C ATOM 293 CD1 ILE A 22 -5.428 5.906 2.259 1.00 0.00 C ATOM 0 H ILE A 22 -4.390 5.626 -1.370 1.00 0.00 H new ATOM 0 HA ILE A 22 -6.980 7.094 -1.355 1.00 0.00 H new ATOM 0 HB ILE A 22 -4.545 7.252 0.396 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -7.228 6.862 1.552 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -6.685 5.536 0.545 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -5.749 9.018 1.613 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -5.358 9.502 -0.054 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -7.016 9.009 0.364 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -5.971 5.203 2.891 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -4.555 5.412 1.834 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -5.107 6.759 2.857 1.00 0.00 H new ATOM 305 N LEU A 23 -6.250 8.767 -2.938 1.00 0.00 N ATOM 306 CA LEU A 23 -5.865 9.794 -3.891 1.00 0.00 C ATOM 307 C LEU A 23 -6.237 11.168 -3.330 1.00 0.00 C ATOM 308 O LEU A 23 -6.837 11.265 -2.261 1.00 0.00 O ATOM 309 CB LEU A 23 -6.475 9.505 -5.264 1.00 0.00 C ATOM 310 CG LEU A 23 -5.591 8.724 -6.239 1.00 0.00 C ATOM 311 CD1 LEU A 23 -4.922 9.663 -7.245 1.00 0.00 C ATOM 312 CD2 LEU A 23 -4.570 7.868 -5.488 1.00 0.00 C ATOM 0 H LEU A 23 -7.253 8.589 -2.885 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.785 9.791 -4.040 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -7.401 8.949 -5.119 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -6.743 10.454 -5.728 1.00 0.00 H new ATOM 0 HG LEU A 23 -6.226 8.044 -6.806 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -4.300 9.083 -7.926 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -5.687 10.192 -7.814 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -4.302 10.385 -6.713 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -3.955 7.323 -6.204 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -3.935 8.511 -4.878 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -5.092 7.159 -4.845 1.00 0.00 H new ATOM 324 N VAL A 24 -5.864 12.197 -4.077 1.00 0.00 N ATOM 325 CA VAL A 24 -6.150 13.562 -3.669 1.00 0.00 C ATOM 326 C VAL A 24 -7.568 13.632 -3.099 1.00 0.00 C ATOM 327 O VAL A 24 -8.384 12.744 -3.343 1.00 0.00 O ATOM 328 CB VAL A 24 -5.930 14.517 -4.843 1.00 0.00 C ATOM 329 CG1 VAL A 24 -7.243 14.796 -5.577 1.00 0.00 C ATOM 330 CG2 VAL A 24 -5.276 15.819 -4.376 1.00 0.00 C ATOM 0 H VAL A 24 -5.366 12.113 -4.963 1.00 0.00 H new ATOM 0 HA VAL A 24 -5.466 13.876 -2.880 1.00 0.00 H new ATOM 0 HB VAL A 24 -5.250 14.033 -5.545 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -7.058 15.478 -6.407 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -7.652 13.861 -5.960 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -7.956 15.249 -4.888 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -5.131 16.480 -5.230 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -5.920 16.307 -3.644 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -4.311 15.598 -3.920 1.00 0.00 H new ATOM 340 N SER A 25 -7.819 14.696 -2.350 1.00 0.00 N ATOM 341 CA SER A 25 -9.124 14.893 -1.743 1.00 0.00 C ATOM 342 C SER A 25 -9.200 14.148 -0.409 1.00 0.00 C ATOM 343 O SER A 25 -9.441 14.756 0.633 1.00 0.00 O ATOM 344 CB SER A 25 -10.242 14.424 -2.677 1.00 0.00 C ATOM 345 OG SER A 25 -11.471 15.098 -2.419 1.00 0.00 O ATOM 0 H SER A 25 -7.140 15.431 -2.150 1.00 0.00 H new ATOM 0 HA SER A 25 -9.260 15.960 -1.564 1.00 0.00 H new ATOM 0 HB2 SER A 25 -9.945 14.595 -3.712 1.00 0.00 H new ATOM 0 HB3 SER A 25 -10.386 13.350 -2.560 1.00 0.00 H new ATOM 0 HG SER A 25 -12.159 14.772 -3.037 1.00 0.00 H new ATOM 351 N GLY A 26 -8.989 12.842 -0.484 1.00 0.00 N ATOM 352 CA GLY A 26 -9.030 12.008 0.705 1.00 0.00 C ATOM 353 C GLY A 26 -9.631 10.636 0.392 1.00 0.00 C ATOM 354 O GLY A 26 -9.082 9.609 0.788 1.00 0.00 O ATOM 0 H GLY A 26 -8.789 12.341 -1.350 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -8.022 11.886 1.103 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -9.620 12.500 1.478 1.00 0.00 H new ATOM 358 N LYS A 27 -10.750 10.664 -0.316 1.00 0.00 N ATOM 359 CA LYS A 27 -11.432 9.436 -0.687 1.00 0.00 C ATOM 360 C LYS A 27 -10.400 8.403 -1.144 1.00 0.00 C ATOM 361 O LYS A 27 -9.268 8.755 -1.472 1.00 0.00 O ATOM 362 CB LYS A 27 -12.520 9.719 -1.725 1.00 0.00 C ATOM 363 CG LYS A 27 -13.911 9.668 -1.089 1.00 0.00 C ATOM 364 CD LYS A 27 -14.677 8.425 -1.546 1.00 0.00 C ATOM 365 CE LYS A 27 -15.261 7.671 -0.349 1.00 0.00 C ATOM 366 NZ LYS A 27 -16.336 6.754 -0.789 1.00 0.00 N ATOM 0 H LYS A 27 -11.202 11.518 -0.643 1.00 0.00 H new ATOM 0 HA LYS A 27 -11.949 9.012 0.174 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -12.356 10.700 -2.171 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -12.458 8.988 -2.531 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -13.818 9.664 -0.003 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -14.471 10.564 -1.358 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -15.479 8.716 -2.224 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -14.011 7.768 -2.105 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -14.475 7.106 0.151 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -15.655 8.381 0.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -16.722 6.250 0.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -17.093 7.301 -1.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -15.950 6.065 -1.466 1.00 0.00 H new ATOM 380 N THR A 28 -10.828 7.149 -1.152 1.00 0.00 N ATOM 381 CA THR A 28 -9.955 6.063 -1.563 1.00 0.00 C ATOM 382 C THR A 28 -10.756 4.983 -2.293 1.00 0.00 C ATOM 383 O THR A 28 -11.984 4.969 -2.234 1.00 0.00 O ATOM 384 CB THR A 28 -9.228 5.544 -0.321 1.00 0.00 C ATOM 385 OG1 THR A 28 -8.705 4.282 -0.726 1.00 0.00 O ATOM 386 CG2 THR A 28 -10.188 5.201 0.820 1.00 0.00 C ATOM 0 H THR A 28 -11.768 6.861 -0.880 1.00 0.00 H new ATOM 0 HA THR A 28 -9.206 6.407 -2.276 1.00 0.00 H new ATOM 0 HB THR A 28 -8.513 6.293 0.020 1.00 0.00 H new ATOM 0 HG1 THR A 28 -8.250 4.378 -1.589 1.00 0.00 H new ATOM 0 HG21 THR A 28 -9.620 4.838 1.676 1.00 0.00 H new ATOM 0 HG22 THR A 28 -10.746 6.092 1.106 1.00 0.00 H new ATOM 0 HG23 THR A 28 -10.883 4.428 0.491 1.00 0.00 H new ATOM 394 N LYS A 29 -10.027 4.104 -2.966 1.00 0.00 N ATOM 395 CA LYS A 29 -10.654 3.023 -3.707 1.00 0.00 C ATOM 396 C LYS A 29 -10.126 1.683 -3.191 1.00 0.00 C ATOM 397 O LYS A 29 -9.224 1.648 -2.355 1.00 0.00 O ATOM 398 CB LYS A 29 -10.459 3.222 -5.212 1.00 0.00 C ATOM 399 CG LYS A 29 -11.730 2.856 -5.982 1.00 0.00 C ATOM 400 CD LYS A 29 -11.395 2.062 -7.246 1.00 0.00 C ATOM 401 CE LYS A 29 -12.578 1.191 -7.676 1.00 0.00 C ATOM 402 NZ LYS A 29 -12.153 -0.217 -7.836 1.00 0.00 N ATOM 0 H LYS A 29 -9.008 4.119 -3.013 1.00 0.00 H new ATOM 0 HA LYS A 29 -11.732 3.025 -3.545 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -10.193 4.260 -5.414 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -9.629 2.607 -5.559 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -12.390 2.269 -5.344 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -12.271 3.763 -6.251 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -11.132 2.748 -8.051 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -10.523 1.434 -7.065 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -13.373 1.255 -6.933 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -12.988 1.562 -8.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -12.988 -0.816 -7.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -11.511 -0.295 -8.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -11.660 -0.531 -6.976 1.00 0.00 H new ATOM 416 N GLU A 30 -10.710 0.613 -3.710 1.00 0.00 N ATOM 417 CA GLU A 30 -10.310 -0.725 -3.311 1.00 0.00 C ATOM 418 C GLU A 30 -9.849 -1.527 -4.531 1.00 0.00 C ATOM 419 O GLU A 30 -10.579 -1.642 -5.514 1.00 0.00 O ATOM 420 CB GLU A 30 -11.447 -1.443 -2.581 1.00 0.00 C ATOM 421 CG GLU A 30 -11.938 -0.620 -1.388 1.00 0.00 C ATOM 422 CD GLU A 30 -12.786 -1.475 -0.444 1.00 0.00 C ATOM 423 OE1 GLU A 30 -13.853 -1.938 -0.903 1.00 0.00 O ATOM 424 OE2 GLU A 30 -12.349 -1.646 0.714 1.00 0.00 O ATOM 0 H GLU A 30 -11.457 0.646 -4.404 1.00 0.00 H new ATOM 0 HA GLU A 30 -9.473 -0.641 -2.618 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -12.273 -1.619 -3.270 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -11.104 -2.419 -2.238 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -11.084 -0.212 -0.847 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -12.525 0.227 -1.743 1.00 0.00 H new ATOM 431 N PHE A 31 -8.641 -2.061 -4.427 1.00 0.00 N ATOM 432 CA PHE A 31 -8.075 -2.848 -5.509 1.00 0.00 C ATOM 433 C PHE A 31 -7.757 -4.270 -5.044 1.00 0.00 C ATOM 434 O PHE A 31 -8.064 -4.640 -3.911 1.00 0.00 O ATOM 435 CB PHE A 31 -6.776 -2.159 -5.930 1.00 0.00 C ATOM 436 CG PHE A 31 -6.977 -0.981 -6.886 1.00 0.00 C ATOM 437 CD1 PHE A 31 -7.227 -1.209 -8.203 1.00 0.00 C ATOM 438 CD2 PHE A 31 -6.907 0.294 -6.417 1.00 0.00 C ATOM 439 CE1 PHE A 31 -7.414 -0.116 -9.090 1.00 0.00 C ATOM 440 CE2 PHE A 31 -7.094 1.387 -7.304 1.00 0.00 C ATOM 441 CZ PHE A 31 -7.343 1.159 -8.621 1.00 0.00 C ATOM 0 H PHE A 31 -8.038 -1.964 -3.610 1.00 0.00 H new ATOM 0 HA PHE A 31 -8.786 -2.915 -6.333 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -6.259 -1.805 -5.038 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -6.125 -2.893 -6.406 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -7.283 -2.222 -8.574 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -6.709 0.475 -5.371 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -7.612 -0.297 -10.136 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -7.038 2.400 -6.932 1.00 0.00 H new ATOM 0 HZ PHE A 31 -7.485 1.991 -9.295 1.00 0.00 H new ATOM 451 N LEU A 32 -7.146 -5.029 -5.941 1.00 0.00 N ATOM 452 CA LEU A 32 -6.783 -6.403 -5.637 1.00 0.00 C ATOM 453 C LEU A 32 -5.366 -6.676 -6.145 1.00 0.00 C ATOM 454 O LEU A 32 -5.006 -6.261 -7.246 1.00 0.00 O ATOM 455 CB LEU A 32 -7.831 -7.370 -6.191 1.00 0.00 C ATOM 456 CG LEU A 32 -9.135 -7.473 -5.396 1.00 0.00 C ATOM 457 CD1 LEU A 32 -10.336 -7.627 -6.331 1.00 0.00 C ATOM 458 CD2 LEU A 32 -9.061 -8.603 -4.367 1.00 0.00 C ATOM 0 H LEU A 32 -6.893 -4.719 -6.879 1.00 0.00 H new ATOM 0 HA LEU A 32 -6.773 -6.564 -4.559 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -8.073 -7.068 -7.210 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -7.385 -8.363 -6.250 1.00 0.00 H new ATOM 0 HG LEU A 32 -9.274 -6.543 -4.844 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -11.250 -7.698 -5.741 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -10.397 -6.762 -6.991 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -10.219 -8.531 -6.928 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -10.000 -8.655 -3.816 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -8.888 -9.550 -4.878 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -8.243 -8.410 -3.673 1.00 0.00 H new ATOM 470 N PHE A 33 -4.599 -7.372 -5.318 1.00 0.00 N ATOM 471 CA PHE A 33 -3.229 -7.705 -5.670 1.00 0.00 C ATOM 472 C PHE A 33 -2.842 -9.082 -5.126 1.00 0.00 C ATOM 473 O PHE A 33 -3.498 -9.603 -4.225 1.00 0.00 O ATOM 474 CB PHE A 33 -2.332 -6.645 -5.028 1.00 0.00 C ATOM 475 CG PHE A 33 -2.573 -5.227 -5.549 1.00 0.00 C ATOM 476 CD1 PHE A 33 -2.405 -4.950 -6.869 1.00 0.00 C ATOM 477 CD2 PHE A 33 -2.956 -4.243 -4.691 1.00 0.00 C ATOM 478 CE1 PHE A 33 -2.628 -3.634 -7.353 1.00 0.00 C ATOM 479 CE2 PHE A 33 -3.180 -2.927 -5.175 1.00 0.00 C ATOM 480 CZ PHE A 33 -3.011 -2.650 -6.495 1.00 0.00 C ATOM 0 H PHE A 33 -4.900 -7.714 -4.406 1.00 0.00 H new ATOM 0 HA PHE A 33 -3.119 -7.729 -6.754 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -2.489 -6.656 -3.949 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -1.290 -6.912 -5.201 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -2.102 -5.731 -7.550 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -3.090 -4.463 -3.642 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -2.494 -3.414 -8.402 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -3.485 -2.146 -4.494 1.00 0.00 H new ATOM 0 HZ PHE A 33 -3.181 -1.649 -6.863 1.00 0.00 H new ATOM 490 N SER A 34 -1.780 -9.631 -5.695 1.00 0.00 N ATOM 491 CA SER A 34 -1.298 -10.936 -5.278 1.00 0.00 C ATOM 492 C SER A 34 -0.046 -10.780 -4.412 1.00 0.00 C ATOM 493 O SER A 34 0.582 -9.723 -4.408 1.00 0.00 O ATOM 494 CB SER A 34 -0.999 -11.825 -6.487 1.00 0.00 C ATOM 495 OG SER A 34 0.285 -12.436 -6.396 1.00 0.00 O ATOM 0 H SER A 34 -1.239 -9.196 -6.442 1.00 0.00 H new ATOM 0 HA SER A 34 -2.080 -11.417 -4.691 1.00 0.00 H new ATOM 0 HB2 SER A 34 -1.763 -12.598 -6.566 1.00 0.00 H new ATOM 0 HB3 SER A 34 -1.053 -11.229 -7.398 1.00 0.00 H new ATOM 0 HG SER A 34 0.190 -13.409 -6.469 1.00 0.00 H new ATOM 501 N PRO A 35 0.287 -11.878 -3.681 1.00 0.00 N ATOM 502 CA PRO A 35 1.453 -11.873 -2.813 1.00 0.00 C ATOM 503 C PRO A 35 2.743 -11.980 -3.628 1.00 0.00 C ATOM 504 O PRO A 35 3.834 -11.764 -3.101 1.00 0.00 O ATOM 505 CB PRO A 35 1.246 -13.047 -1.870 1.00 0.00 C ATOM 506 CG PRO A 35 0.213 -13.941 -2.538 1.00 0.00 C ATOM 507 CD PRO A 35 -0.433 -13.147 -3.661 1.00 0.00 C ATOM 0 HA PRO A 35 1.557 -10.944 -2.253 1.00 0.00 H new ATOM 0 HB2 PRO A 35 2.180 -13.585 -1.705 1.00 0.00 H new ATOM 0 HB3 PRO A 35 0.897 -12.708 -0.895 1.00 0.00 H new ATOM 0 HG2 PRO A 35 0.684 -14.842 -2.930 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -0.538 -14.262 -1.816 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -0.345 -13.667 -4.615 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -1.497 -12.996 -3.478 1.00 0.00 H new ATOM 515 N ASN A 36 2.577 -12.315 -4.899 1.00 0.00 N ATOM 516 CA ASN A 36 3.715 -12.453 -5.791 1.00 0.00 C ATOM 517 C ASN A 36 3.891 -11.161 -6.592 1.00 0.00 C ATOM 518 O ASN A 36 4.860 -11.014 -7.335 1.00 0.00 O ATOM 519 CB ASN A 36 3.501 -13.599 -6.783 1.00 0.00 C ATOM 520 CG ASN A 36 2.674 -14.721 -6.153 1.00 0.00 C ATOM 521 OD1 ASN A 36 1.458 -14.665 -6.080 1.00 0.00 O ATOM 522 ND2 ASN A 36 3.400 -15.742 -5.705 1.00 0.00 N ATOM 0 H ASN A 36 1.671 -12.495 -5.332 1.00 0.00 H new ATOM 0 HA ASN A 36 4.596 -12.661 -5.184 1.00 0.00 H new ATOM 0 HB2 ASN A 36 2.995 -13.225 -7.673 1.00 0.00 H new ATOM 0 HB3 ASN A 36 4.466 -13.990 -7.106 1.00 0.00 H new ATOM 0 HD21 ASN A 36 2.941 -16.542 -5.269 1.00 0.00 H new ATOM 0 HD22 ASN A 36 4.416 -15.725 -5.798 1.00 0.00 H new ATOM 529 N ASP A 37 2.938 -10.258 -6.413 1.00 0.00 N ATOM 530 CA ASP A 37 2.975 -8.984 -7.110 1.00 0.00 C ATOM 531 C ASP A 37 3.884 -8.017 -6.348 1.00 0.00 C ATOM 532 O ASP A 37 3.847 -7.962 -5.120 1.00 0.00 O ATOM 533 CB ASP A 37 1.581 -8.359 -7.189 1.00 0.00 C ATOM 534 CG ASP A 37 0.657 -8.970 -8.245 1.00 0.00 C ATOM 535 OD1 ASP A 37 1.192 -9.382 -9.297 1.00 0.00 O ATOM 536 OD2 ASP A 37 -0.563 -9.010 -7.977 1.00 0.00 O ATOM 0 H ASP A 37 2.136 -10.384 -5.796 1.00 0.00 H new ATOM 0 HA ASP A 37 3.348 -9.162 -8.119 1.00 0.00 H new ATOM 0 HB2 ASP A 37 1.103 -8.449 -6.214 1.00 0.00 H new ATOM 0 HB3 ASP A 37 1.688 -7.294 -7.394 1.00 0.00 H new ATOM 541 N SER A 38 4.678 -7.278 -7.109 1.00 0.00 N ATOM 542 CA SER A 38 5.595 -6.316 -6.520 1.00 0.00 C ATOM 543 C SER A 38 4.990 -4.912 -6.581 1.00 0.00 C ATOM 544 O SER A 38 4.032 -4.677 -7.316 1.00 0.00 O ATOM 545 CB SER A 38 6.950 -6.342 -7.230 1.00 0.00 C ATOM 546 OG SER A 38 6.861 -5.860 -8.568 1.00 0.00 O ATOM 0 H SER A 38 4.706 -7.326 -8.128 1.00 0.00 H new ATOM 0 HA SER A 38 5.756 -6.590 -5.477 1.00 0.00 H new ATOM 0 HB2 SER A 38 7.663 -5.735 -6.673 1.00 0.00 H new ATOM 0 HB3 SER A 38 7.336 -7.361 -7.237 1.00 0.00 H new ATOM 0 HG SER A 38 7.747 -5.891 -8.986 1.00 0.00 H new ATOM 552 N ALA A 39 5.575 -4.016 -5.800 1.00 0.00 N ATOM 553 CA ALA A 39 5.106 -2.642 -5.756 1.00 0.00 C ATOM 554 C ALA A 39 4.845 -2.151 -7.182 1.00 0.00 C ATOM 555 O ALA A 39 3.751 -1.682 -7.490 1.00 0.00 O ATOM 556 CB ALA A 39 6.131 -1.776 -5.020 1.00 0.00 C ATOM 0 H ALA A 39 6.370 -4.215 -5.193 1.00 0.00 H new ATOM 0 HA ALA A 39 4.167 -2.574 -5.207 1.00 0.00 H new ATOM 0 HB1 ALA A 39 5.779 -0.745 -4.987 1.00 0.00 H new ATOM 0 HB2 ALA A 39 6.259 -2.149 -4.004 1.00 0.00 H new ATOM 0 HB3 ALA A 39 7.086 -1.817 -5.545 1.00 0.00 H new ATOM 562 N SER A 40 5.870 -2.275 -8.013 1.00 0.00 N ATOM 563 CA SER A 40 5.765 -1.849 -9.398 1.00 0.00 C ATOM 564 C SER A 40 4.410 -2.269 -9.974 1.00 0.00 C ATOM 565 O SER A 40 3.674 -1.440 -10.506 1.00 0.00 O ATOM 566 CB SER A 40 6.902 -2.431 -10.241 1.00 0.00 C ATOM 567 OG SER A 40 6.795 -2.058 -11.612 1.00 0.00 O ATOM 0 H SER A 40 6.776 -2.664 -7.754 1.00 0.00 H new ATOM 0 HA SER A 40 5.845 -0.762 -9.428 1.00 0.00 H new ATOM 0 HB2 SER A 40 7.858 -2.089 -9.846 1.00 0.00 H new ATOM 0 HB3 SER A 40 6.894 -3.518 -10.159 1.00 0.00 H new ATOM 0 HG SER A 40 7.540 -2.448 -12.116 1.00 0.00 H new ATOM 573 N ASP A 41 4.123 -3.556 -9.847 1.00 0.00 N ATOM 574 CA ASP A 41 2.870 -4.096 -10.347 1.00 0.00 C ATOM 575 C ASP A 41 1.709 -3.247 -9.825 1.00 0.00 C ATOM 576 O ASP A 41 0.847 -2.826 -10.596 1.00 0.00 O ATOM 577 CB ASP A 41 2.658 -5.533 -9.866 1.00 0.00 C ATOM 578 CG ASP A 41 1.792 -6.400 -10.782 1.00 0.00 C ATOM 579 OD1 ASP A 41 0.555 -6.341 -10.616 1.00 0.00 O ATOM 580 OD2 ASP A 41 2.387 -7.103 -11.627 1.00 0.00 O ATOM 0 H ASP A 41 4.737 -4.241 -9.405 1.00 0.00 H new ATOM 0 HA ASP A 41 2.908 -4.082 -11.436 1.00 0.00 H new ATOM 0 HB2 ASP A 41 3.632 -6.010 -9.753 1.00 0.00 H new ATOM 0 HB3 ASP A 41 2.200 -5.505 -8.877 1.00 0.00 H new ATOM 585 N ILE A 42 1.724 -3.020 -8.520 1.00 0.00 N ATOM 586 CA ILE A 42 0.683 -2.228 -7.886 1.00 0.00 C ATOM 587 C ILE A 42 0.645 -0.839 -8.525 1.00 0.00 C ATOM 588 O ILE A 42 -0.301 -0.504 -9.235 1.00 0.00 O ATOM 589 CB ILE A 42 0.878 -2.203 -6.369 1.00 0.00 C ATOM 590 CG1 ILE A 42 0.854 -3.619 -5.789 1.00 0.00 C ATOM 591 CG2 ILE A 42 -0.152 -1.292 -5.699 1.00 0.00 C ATOM 592 CD1 ILE A 42 1.254 -3.613 -4.312 1.00 0.00 C ATOM 0 H ILE A 42 2.440 -3.370 -7.884 1.00 0.00 H new ATOM 0 HA ILE A 42 -0.295 -2.681 -8.050 1.00 0.00 H new ATOM 0 HB ILE A 42 1.863 -1.786 -6.158 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -0.144 -4.043 -5.897 1.00 0.00 H new ATOM 0 HG13 ILE A 42 1.535 -4.258 -6.351 1.00 0.00 H new ATOM 0 HG21 ILE A 42 0.009 -1.292 -4.621 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -0.044 -0.277 -6.082 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -1.156 -1.657 -5.916 1.00 0.00 H new ATOM 0 HD11 ILE A 42 1.229 -4.631 -3.924 1.00 0.00 H new ATOM 0 HD12 ILE A 42 2.262 -3.210 -4.210 1.00 0.00 H new ATOM 0 HD13 ILE A 42 0.557 -2.993 -3.749 1.00 0.00 H new ATOM 604 N ALA A 43 1.686 -0.067 -8.248 1.00 0.00 N ATOM 605 CA ALA A 43 1.784 1.279 -8.787 1.00 0.00 C ATOM 606 C ALA A 43 1.298 1.280 -10.238 1.00 0.00 C ATOM 607 O ALA A 43 0.448 2.087 -10.612 1.00 0.00 O ATOM 608 CB ALA A 43 3.223 1.779 -8.654 1.00 0.00 C ATOM 0 H ALA A 43 2.469 -0.348 -7.657 1.00 0.00 H new ATOM 0 HA ALA A 43 1.148 1.964 -8.226 1.00 0.00 H new ATOM 0 HB1 ALA A 43 3.296 2.789 -9.058 1.00 0.00 H new ATOM 0 HB2 ALA A 43 3.509 1.788 -7.602 1.00 0.00 H new ATOM 0 HB3 ALA A 43 3.891 1.118 -9.206 1.00 0.00 H new ATOM 614 N LYS A 44 1.859 0.366 -11.016 1.00 0.00 N ATOM 615 CA LYS A 44 1.493 0.251 -12.418 1.00 0.00 C ATOM 616 C LYS A 44 -0.006 -0.034 -12.528 1.00 0.00 C ATOM 617 O LYS A 44 -0.721 0.659 -13.250 1.00 0.00 O ATOM 618 CB LYS A 44 2.370 -0.791 -13.116 1.00 0.00 C ATOM 619 CG LYS A 44 2.416 -0.546 -14.626 1.00 0.00 C ATOM 620 CD LYS A 44 1.396 -1.422 -15.355 1.00 0.00 C ATOM 621 CE LYS A 44 2.086 -2.583 -16.074 1.00 0.00 C ATOM 622 NZ LYS A 44 2.135 -3.778 -15.202 1.00 0.00 N ATOM 0 H LYS A 44 2.564 -0.301 -10.703 1.00 0.00 H new ATOM 0 HA LYS A 44 1.678 1.191 -12.939 1.00 0.00 H new ATOM 0 HB2 LYS A 44 3.380 -0.754 -12.707 1.00 0.00 H new ATOM 0 HB3 LYS A 44 1.982 -1.790 -12.918 1.00 0.00 H new ATOM 0 HG2 LYS A 44 2.213 0.505 -14.834 1.00 0.00 H new ATOM 0 HG3 LYS A 44 3.417 -0.758 -15.002 1.00 0.00 H new ATOM 0 HD2 LYS A 44 0.670 -1.811 -14.642 1.00 0.00 H new ATOM 0 HD3 LYS A 44 0.843 -0.820 -16.076 1.00 0.00 H new ATOM 0 HE2 LYS A 44 1.550 -2.819 -16.994 1.00 0.00 H new ATOM 0 HE3 LYS A 44 3.097 -2.292 -16.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 2.606 -4.556 -15.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 2.666 -3.554 -14.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 1.167 -4.064 -14.951 1.00 0.00 H new ATOM 636 N HIS A 45 -0.437 -1.054 -11.801 1.00 0.00 N ATOM 637 CA HIS A 45 -1.838 -1.438 -11.808 1.00 0.00 C ATOM 638 C HIS A 45 -2.705 -0.226 -11.461 1.00 0.00 C ATOM 639 O HIS A 45 -3.610 0.131 -12.214 1.00 0.00 O ATOM 640 CB HIS A 45 -2.081 -2.626 -10.876 1.00 0.00 C ATOM 641 CG HIS A 45 -3.540 -2.945 -10.654 1.00 0.00 C ATOM 642 ND1 HIS A 45 -4.095 -4.174 -10.966 1.00 0.00 N ATOM 643 CD2 HIS A 45 -4.551 -2.184 -10.146 1.00 0.00 C ATOM 644 CE1 HIS A 45 -5.383 -4.142 -10.658 1.00 0.00 C ATOM 645 NE2 HIS A 45 -5.664 -2.908 -10.150 1.00 0.00 N ATOM 0 H HIS A 45 0.159 -1.626 -11.203 1.00 0.00 H new ATOM 0 HA HIS A 45 -2.122 -1.770 -12.807 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -1.586 -3.505 -11.289 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -1.614 -2.420 -9.913 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -4.462 -1.165 -9.799 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -6.087 -4.951 -10.787 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -6.579 -2.593 -9.826 1.00 0.00 H new ATOM 653 N VAL A 46 -2.397 0.374 -10.321 1.00 0.00 N ATOM 654 CA VAL A 46 -3.136 1.539 -9.865 1.00 0.00 C ATOM 655 C VAL A 46 -3.346 2.497 -11.039 1.00 0.00 C ATOM 656 O VAL A 46 -4.479 2.853 -11.360 1.00 0.00 O ATOM 657 CB VAL A 46 -2.412 2.190 -8.685 1.00 0.00 C ATOM 658 CG1 VAL A 46 -3.029 3.547 -8.343 1.00 0.00 C ATOM 659 CG2 VAL A 46 -2.409 1.266 -7.466 1.00 0.00 C ATOM 0 H VAL A 46 -1.646 0.075 -9.699 1.00 0.00 H new ATOM 0 HA VAL A 46 -4.122 1.247 -9.503 1.00 0.00 H new ATOM 0 HB VAL A 46 -1.376 2.359 -8.980 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -2.495 3.988 -7.501 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -2.954 4.209 -9.206 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -4.078 3.413 -8.078 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -1.888 1.753 -6.642 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -3.436 1.051 -7.170 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -1.901 0.335 -7.717 1.00 0.00 H new ATOM 669 N TYR A 47 -2.236 2.886 -11.650 1.00 0.00 N ATOM 670 CA TYR A 47 -2.284 3.795 -12.782 1.00 0.00 C ATOM 671 C TYR A 47 -3.042 3.171 -13.955 1.00 0.00 C ATOM 672 O TYR A 47 -3.972 3.773 -14.490 1.00 0.00 O ATOM 673 CB TYR A 47 -0.830 4.030 -13.196 1.00 0.00 C ATOM 674 CG TYR A 47 -0.212 5.298 -12.604 1.00 0.00 C ATOM 675 CD1 TYR A 47 -0.292 5.537 -11.247 1.00 0.00 C ATOM 676 CD2 TYR A 47 0.426 6.204 -13.427 1.00 0.00 C ATOM 677 CE1 TYR A 47 0.290 6.730 -10.690 1.00 0.00 C ATOM 678 CE2 TYR A 47 1.008 7.398 -12.871 1.00 0.00 C ATOM 679 CZ TYR A 47 0.911 7.602 -11.529 1.00 0.00 C ATOM 680 OH TYR A 47 1.461 8.729 -11.003 1.00 0.00 O ATOM 0 H TYR A 47 -1.298 2.588 -11.382 1.00 0.00 H new ATOM 0 HA TYR A 47 -2.796 4.718 -12.511 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -0.233 3.171 -12.891 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -0.777 4.086 -14.283 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -0.791 4.829 -10.603 1.00 0.00 H new ATOM 0 HD2 TYR A 47 0.489 6.017 -14.489 1.00 0.00 H new ATOM 0 HE1 TYR A 47 0.235 6.928 -9.630 1.00 0.00 H new ATOM 0 HE2 TYR A 47 1.510 8.115 -13.504 1.00 0.00 H new ATOM 0 HH TYR A 47 0.753 9.378 -10.807 1.00 0.00 H new ATOM 690 N ASP A 48 -2.616 1.971 -14.321 1.00 0.00 N ATOM 691 CA ASP A 48 -3.242 1.258 -15.422 1.00 0.00 C ATOM 692 C ASP A 48 -4.760 1.266 -15.231 1.00 0.00 C ATOM 693 O ASP A 48 -5.500 1.670 -16.126 1.00 0.00 O ATOM 694 CB ASP A 48 -2.779 -0.200 -15.468 1.00 0.00 C ATOM 695 CG ASP A 48 -1.688 -0.500 -16.497 1.00 0.00 C ATOM 696 OD1 ASP A 48 -1.041 0.475 -16.939 1.00 0.00 O ATOM 697 OD2 ASP A 48 -1.524 -1.696 -16.819 1.00 0.00 O ATOM 0 H ASP A 48 -1.845 1.474 -13.875 1.00 0.00 H new ATOM 0 HA ASP A 48 -2.960 1.755 -16.350 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -2.413 -0.480 -14.480 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -3.641 -0.833 -15.680 1.00 0.00 H new ATOM 702 N ASN A 49 -5.179 0.815 -14.057 1.00 0.00 N ATOM 703 CA ASN A 49 -6.596 0.766 -13.737 1.00 0.00 C ATOM 704 C ASN A 49 -7.097 2.180 -13.440 1.00 0.00 C ATOM 705 O ASN A 49 -7.102 2.612 -12.288 1.00 0.00 O ATOM 706 CB ASN A 49 -6.851 -0.096 -12.499 1.00 0.00 C ATOM 707 CG ASN A 49 -6.778 -1.585 -12.843 1.00 0.00 C ATOM 708 OD1 ASN A 49 -7.774 -2.236 -13.113 1.00 0.00 O ATOM 709 ND2 ASN A 49 -5.547 -2.087 -12.817 1.00 0.00 N ATOM 0 H ASN A 49 -4.562 0.481 -13.316 1.00 0.00 H new ATOM 0 HA ASN A 49 -7.120 0.336 -14.591 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -6.116 0.140 -11.730 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -7.832 0.137 -12.085 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -5.393 -3.072 -13.031 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -4.756 -1.487 -12.583 1.00 0.00 H new ATOM 716 N TRP A 50 -7.507 2.863 -14.499 1.00 0.00 N ATOM 717 CA TRP A 50 -8.008 4.220 -14.366 1.00 0.00 C ATOM 718 C TRP A 50 -8.140 4.815 -15.770 1.00 0.00 C ATOM 719 O TRP A 50 -7.420 4.420 -16.685 1.00 0.00 O ATOM 720 CB TRP A 50 -7.110 5.050 -13.447 1.00 0.00 C ATOM 721 CG TRP A 50 -7.632 5.176 -12.015 1.00 0.00 C ATOM 722 CD1 TRP A 50 -8.904 5.141 -11.594 1.00 0.00 C ATOM 723 CD2 TRP A 50 -6.839 5.360 -10.823 1.00 0.00 C ATOM 724 NE1 TRP A 50 -8.988 5.289 -10.225 1.00 0.00 N ATOM 725 CE2 TRP A 50 -7.692 5.426 -9.741 1.00 0.00 C ATOM 726 CE3 TRP A 50 -5.446 5.466 -10.665 1.00 0.00 C ATOM 727 CZ2 TRP A 50 -7.249 5.601 -8.424 1.00 0.00 C ATOM 728 CZ3 TRP A 50 -5.019 5.641 -9.343 1.00 0.00 C ATOM 729 CH2 TRP A 50 -5.865 5.710 -8.243 1.00 0.00 C ATOM 0 H TRP A 50 -7.502 2.502 -15.453 1.00 0.00 H new ATOM 0 HA TRP A 50 -8.990 4.223 -13.892 1.00 0.00 H new ATOM 0 HB2 TRP A 50 -6.118 4.600 -13.423 1.00 0.00 H new ATOM 0 HB3 TRP A 50 -6.997 6.048 -13.871 1.00 0.00 H new ATOM 0 HD1 TRP A 50 -9.756 5.013 -12.245 1.00 0.00 H new ATOM 0 HE1 TRP A 50 -9.844 5.297 -9.670 1.00 0.00 H new ATOM 0 HE3 TRP A 50 -4.760 5.416 -11.497 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 -7.937 5.649 -7.593 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 -3.957 5.729 -9.166 1.00 0.00 H new ATOM 0 HH2 TRP A 50 -5.457 5.847 -7.253 1.00 0.00 H new ATOM 740 N PRO A 51 -9.088 5.781 -15.898 1.00 0.00 N ATOM 741 CA PRO A 51 -9.323 6.435 -17.174 1.00 0.00 C ATOM 742 C PRO A 51 -8.211 7.437 -17.490 1.00 0.00 C ATOM 743 O PRO A 51 -8.479 8.614 -17.725 1.00 0.00 O ATOM 744 CB PRO A 51 -10.689 7.087 -17.037 1.00 0.00 C ATOM 745 CG PRO A 51 -10.963 7.170 -15.544 1.00 0.00 C ATOM 746 CD PRO A 51 -9.959 6.275 -14.835 1.00 0.00 C ATOM 0 HA PRO A 51 -9.312 5.738 -18.012 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -10.696 8.078 -17.491 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -11.455 6.499 -17.543 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -10.870 8.199 -15.196 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -11.982 6.850 -15.324 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -9.394 6.829 -14.086 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -10.456 5.455 -14.317 1.00 0.00 H new ATOM 754 N MET A 52 -6.986 6.933 -17.486 1.00 0.00 N ATOM 755 CA MET A 52 -5.832 7.769 -17.769 1.00 0.00 C ATOM 756 C MET A 52 -6.003 9.163 -17.163 1.00 0.00 C ATOM 757 O MET A 52 -6.489 10.078 -17.827 1.00 0.00 O ATOM 758 CB MET A 52 -5.647 7.889 -19.283 1.00 0.00 C ATOM 759 CG MET A 52 -4.992 6.632 -19.857 1.00 0.00 C ATOM 760 SD MET A 52 -6.186 5.698 -20.800 1.00 0.00 S ATOM 761 CE MET A 52 -5.257 4.200 -21.080 1.00 0.00 C ATOM 0 H MET A 52 -6.767 5.956 -17.291 1.00 0.00 H new ATOM 0 HA MET A 52 -4.953 7.305 -17.323 1.00 0.00 H new ATOM 0 HB2 MET A 52 -6.614 8.049 -19.759 1.00 0.00 H new ATOM 0 HB3 MET A 52 -5.032 8.760 -19.510 1.00 0.00 H new ATOM 0 HG2 MET A 52 -4.150 6.908 -20.492 1.00 0.00 H new ATOM 0 HG3 MET A 52 -4.594 6.018 -19.049 1.00 0.00 H new ATOM 0 HE1 MET A 52 -5.860 3.501 -21.660 1.00 0.00 H new ATOM 0 HE2 MET A 52 -4.345 4.435 -21.629 1.00 0.00 H new ATOM 0 HE3 MET A 52 -4.998 3.748 -20.122 1.00 0.00 H new ATOM 771 N ASP A 53 -5.594 9.283 -15.908 1.00 0.00 N ATOM 772 CA ASP A 53 -5.696 10.550 -15.205 1.00 0.00 C ATOM 773 C ASP A 53 -4.321 10.936 -14.656 1.00 0.00 C ATOM 774 O ASP A 53 -4.069 10.808 -13.459 1.00 0.00 O ATOM 775 CB ASP A 53 -6.665 10.449 -14.025 1.00 0.00 C ATOM 776 CG ASP A 53 -6.531 9.177 -13.185 1.00 0.00 C ATOM 777 OD1 ASP A 53 -5.441 8.996 -12.601 1.00 0.00 O ATOM 778 OD2 ASP A 53 -7.521 8.415 -13.146 1.00 0.00 O ATOM 0 H ASP A 53 -5.191 8.523 -15.360 1.00 0.00 H new ATOM 0 HA ASP A 53 -6.062 11.298 -15.909 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -6.515 11.312 -13.376 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -7.685 10.509 -14.405 1.00 0.00 H new ATOM 783 N TRP A 54 -3.469 11.401 -15.557 1.00 0.00 N ATOM 784 CA TRP A 54 -2.126 11.806 -15.178 1.00 0.00 C ATOM 785 C TRP A 54 -1.345 12.110 -16.458 1.00 0.00 C ATOM 786 O TRP A 54 -1.860 11.934 -17.561 1.00 0.00 O ATOM 787 CB TRP A 54 -1.457 10.741 -14.308 1.00 0.00 C ATOM 788 CG TRP A 54 -0.948 11.264 -12.964 1.00 0.00 C ATOM 789 CD1 TRP A 54 -0.320 12.421 -12.713 1.00 0.00 C ATOM 790 CD2 TRP A 54 -1.050 10.598 -11.687 1.00 0.00 C ATOM 791 NE1 TRP A 54 -0.012 12.549 -11.374 1.00 0.00 N ATOM 792 CE2 TRP A 54 -0.470 11.406 -10.731 1.00 0.00 C ATOM 793 CE3 TRP A 54 -1.615 9.355 -11.352 1.00 0.00 C ATOM 794 CZ2 TRP A 54 -0.398 11.059 -9.376 1.00 0.00 C ATOM 795 CZ3 TRP A 54 -1.535 9.023 -9.995 1.00 0.00 C ATOM 796 CH2 TRP A 54 -0.953 9.824 -9.019 1.00 0.00 C ATOM 0 H TRP A 54 -3.682 11.506 -16.549 1.00 0.00 H new ATOM 0 HA TRP A 54 -2.153 12.707 -14.565 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -2.169 9.935 -14.127 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -0.621 10.310 -14.858 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -0.085 13.160 -13.464 1.00 0.00 H new ATOM 0 HE1 TRP A 54 0.464 13.338 -10.937 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -2.074 8.708 -12.084 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 0.061 11.709 -8.646 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -1.955 8.078 -9.684 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -0.929 9.495 -7.991 1.00 0.00 H new ATOM 807 N GLU A 55 -0.114 12.562 -16.269 1.00 0.00 N ATOM 808 CA GLU A 55 0.743 12.892 -17.395 1.00 0.00 C ATOM 809 C GLU A 55 0.565 11.868 -18.516 1.00 0.00 C ATOM 810 O GLU A 55 0.781 10.674 -18.312 1.00 0.00 O ATOM 811 CB GLU A 55 2.208 12.981 -16.961 1.00 0.00 C ATOM 812 CG GLU A 55 3.032 13.781 -17.972 1.00 0.00 C ATOM 813 CD GLU A 55 4.001 14.729 -17.262 1.00 0.00 C ATOM 814 OE1 GLU A 55 3.506 15.726 -16.694 1.00 0.00 O ATOM 815 OE2 GLU A 55 5.215 14.434 -17.303 1.00 0.00 O ATOM 0 H GLU A 55 0.310 12.707 -15.353 1.00 0.00 H new ATOM 0 HA GLU A 55 0.450 13.871 -17.775 1.00 0.00 H new ATOM 0 HB2 GLU A 55 2.272 13.452 -15.980 1.00 0.00 H new ATOM 0 HB3 GLU A 55 2.623 11.978 -16.861 1.00 0.00 H new ATOM 0 HG2 GLU A 55 3.590 13.098 -18.613 1.00 0.00 H new ATOM 0 HG3 GLU A 55 2.366 14.353 -18.618 1.00 0.00 H new ATOM 822 N GLU A 56 0.172 12.371 -19.677 1.00 0.00 N ATOM 823 CA GLU A 56 -0.038 11.514 -20.832 1.00 0.00 C ATOM 824 C GLU A 56 1.052 10.443 -20.903 1.00 0.00 C ATOM 825 O GLU A 56 0.808 9.281 -20.582 1.00 0.00 O ATOM 826 CB GLU A 56 -0.086 12.334 -22.122 1.00 0.00 C ATOM 827 CG GLU A 56 -1.494 12.333 -22.721 1.00 0.00 C ATOM 828 CD GLU A 56 -1.786 13.653 -23.437 1.00 0.00 C ATOM 829 OE1 GLU A 56 -1.382 14.700 -22.886 1.00 0.00 O ATOM 830 OE2 GLU A 56 -2.408 13.586 -24.520 1.00 0.00 O ATOM 0 H GLU A 56 -0.007 13.361 -19.843 1.00 0.00 H new ATOM 0 HA GLU A 56 -1.002 11.017 -20.721 1.00 0.00 H new ATOM 0 HB2 GLU A 56 0.225 13.358 -21.918 1.00 0.00 H new ATOM 0 HB3 GLU A 56 0.620 11.924 -22.844 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -1.594 11.505 -23.423 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -2.229 12.173 -21.932 1.00 0.00 H new ATOM 837 N GLU A 57 2.232 10.872 -21.326 1.00 0.00 N ATOM 838 CA GLU A 57 3.361 9.964 -21.443 1.00 0.00 C ATOM 839 C GLU A 57 4.657 10.752 -21.644 1.00 0.00 C ATOM 840 O GLU A 57 4.822 11.436 -22.653 1.00 0.00 O ATOM 841 CB GLU A 57 3.144 8.965 -22.581 1.00 0.00 C ATOM 842 CG GLU A 57 4.009 7.718 -22.388 1.00 0.00 C ATOM 843 CD GLU A 57 5.014 7.565 -23.532 1.00 0.00 C ATOM 844 OE1 GLU A 57 4.561 7.616 -24.696 1.00 0.00 O ATOM 845 OE2 GLU A 57 6.212 7.401 -23.216 1.00 0.00 O ATOM 0 H GLU A 57 2.431 11.836 -21.592 1.00 0.00 H new ATOM 0 HA GLU A 57 3.444 9.396 -20.516 1.00 0.00 H new ATOM 0 HB2 GLU A 57 2.093 8.680 -22.624 1.00 0.00 H new ATOM 0 HB3 GLU A 57 3.386 9.436 -23.534 1.00 0.00 H new ATOM 0 HG2 GLU A 57 4.541 7.783 -21.439 1.00 0.00 H new ATOM 0 HG3 GLU A 57 3.373 6.834 -22.337 1.00 0.00 H new ATOM 852 N GLN A 58 5.544 10.629 -20.667 1.00 0.00 N ATOM 853 CA GLN A 58 6.820 11.321 -20.724 1.00 0.00 C ATOM 854 C GLN A 58 7.684 10.940 -19.520 1.00 0.00 C ATOM 855 O GLN A 58 8.408 11.777 -18.982 1.00 0.00 O ATOM 856 CB GLN A 58 6.620 12.836 -20.798 1.00 0.00 C ATOM 857 CG GLN A 58 7.552 13.463 -21.837 1.00 0.00 C ATOM 858 CD GLN A 58 6.800 14.466 -22.714 1.00 0.00 C ATOM 859 OE1 GLN A 58 5.668 14.835 -22.449 1.00 0.00 O ATOM 860 NE2 GLN A 58 7.491 14.886 -23.770 1.00 0.00 N ATOM 0 H GLN A 58 5.404 10.060 -19.832 1.00 0.00 H new ATOM 0 HA GLN A 58 7.339 11.012 -21.632 1.00 0.00 H new ATOM 0 HB2 GLN A 58 5.584 13.057 -21.053 1.00 0.00 H new ATOM 0 HB3 GLN A 58 6.809 13.279 -19.820 1.00 0.00 H new ATOM 0 HG2 GLN A 58 8.379 13.963 -21.334 1.00 0.00 H new ATOM 0 HG3 GLN A 58 7.985 12.681 -22.461 1.00 0.00 H new ATOM 0 HE21 GLN A 58 8.435 14.537 -23.933 1.00 0.00 H new ATOM 0 HE22 GLN A 58 7.077 15.557 -24.416 1.00 0.00 H new ATOM 869 N VAL A 59 7.580 9.677 -19.133 1.00 0.00 N ATOM 870 CA VAL A 59 8.343 9.176 -18.004 1.00 0.00 C ATOM 871 C VAL A 59 9.152 7.953 -18.442 1.00 0.00 C ATOM 872 O VAL A 59 8.812 7.300 -19.427 1.00 0.00 O ATOM 873 CB VAL A 59 7.408 8.883 -16.829 1.00 0.00 C ATOM 874 CG1 VAL A 59 6.562 10.110 -16.483 1.00 0.00 C ATOM 875 CG2 VAL A 59 6.521 7.671 -17.122 1.00 0.00 C ATOM 0 H VAL A 59 6.979 8.986 -19.582 1.00 0.00 H new ATOM 0 HA VAL A 59 9.052 9.929 -17.659 1.00 0.00 H new ATOM 0 HB VAL A 59 8.024 8.645 -15.962 1.00 0.00 H new ATOM 0 HG11 VAL A 59 5.906 9.875 -15.645 1.00 0.00 H new ATOM 0 HG12 VAL A 59 7.216 10.938 -16.211 1.00 0.00 H new ATOM 0 HG13 VAL A 59 5.960 10.392 -17.347 1.00 0.00 H new ATOM 0 HG21 VAL A 59 5.866 7.485 -16.271 1.00 0.00 H new ATOM 0 HG22 VAL A 59 5.917 7.868 -18.008 1.00 0.00 H new ATOM 0 HG23 VAL A 59 7.147 6.796 -17.297 1.00 0.00 H new ATOM 885 N SER A 60 10.208 7.681 -17.690 1.00 0.00 N ATOM 886 CA SER A 60 11.068 6.549 -17.989 1.00 0.00 C ATOM 887 C SER A 60 12.080 6.347 -16.859 1.00 0.00 C ATOM 888 O SER A 60 13.211 5.929 -17.101 1.00 0.00 O ATOM 889 CB SER A 60 11.793 6.744 -19.322 1.00 0.00 C ATOM 890 OG SER A 60 11.018 6.279 -20.424 1.00 0.00 O ATOM 0 H SER A 60 10.488 8.225 -16.874 1.00 0.00 H new ATOM 0 HA SER A 60 10.444 5.659 -18.073 1.00 0.00 H new ATOM 0 HB2 SER A 60 12.021 7.801 -19.459 1.00 0.00 H new ATOM 0 HB3 SER A 60 12.745 6.213 -19.298 1.00 0.00 H new ATOM 0 HG SER A 60 10.082 6.541 -20.299 1.00 0.00 H new ATOM 896 N SER A 61 11.637 6.655 -15.648 1.00 0.00 N ATOM 897 CA SER A 61 12.490 6.513 -14.481 1.00 0.00 C ATOM 898 C SER A 61 11.695 5.903 -13.324 1.00 0.00 C ATOM 899 O SER A 61 10.556 6.294 -13.074 1.00 0.00 O ATOM 900 CB SER A 61 13.083 7.860 -14.065 1.00 0.00 C ATOM 901 OG SER A 61 13.698 8.534 -15.160 1.00 0.00 O ATOM 0 H SER A 61 10.698 7.002 -15.451 1.00 0.00 H new ATOM 0 HA SER A 61 13.314 5.848 -14.738 1.00 0.00 H new ATOM 0 HB2 SER A 61 12.297 8.489 -13.648 1.00 0.00 H new ATOM 0 HB3 SER A 61 13.819 7.704 -13.276 1.00 0.00 H new ATOM 0 HG SER A 61 14.063 9.390 -14.854 1.00 0.00 H new ATOM 907 N PRO A 62 12.345 4.930 -12.630 1.00 0.00 N ATOM 908 CA PRO A 62 11.712 4.263 -11.506 1.00 0.00 C ATOM 909 C PRO A 62 11.685 5.170 -10.274 1.00 0.00 C ATOM 910 O PRO A 62 10.726 5.148 -9.503 1.00 0.00 O ATOM 911 CB PRO A 62 12.525 2.996 -11.292 1.00 0.00 C ATOM 912 CG PRO A 62 13.852 3.228 -11.996 1.00 0.00 C ATOM 913 CD PRO A 62 13.695 4.442 -12.897 1.00 0.00 C ATOM 0 HA PRO A 62 10.666 4.023 -11.695 1.00 0.00 H new ATOM 0 HB2 PRO A 62 12.675 2.803 -10.230 1.00 0.00 H new ATOM 0 HB3 PRO A 62 12.011 2.128 -11.704 1.00 0.00 H new ATOM 0 HG2 PRO A 62 14.647 3.393 -11.268 1.00 0.00 H new ATOM 0 HG3 PRO A 62 14.132 2.352 -12.581 1.00 0.00 H new ATOM 0 HD2 PRO A 62 14.443 5.202 -12.671 1.00 0.00 H new ATOM 0 HD3 PRO A 62 13.819 4.175 -13.946 1.00 0.00 H new ATOM 921 N ASN A 63 12.748 5.948 -10.127 1.00 0.00 N ATOM 922 CA ASN A 63 12.857 6.861 -9.003 1.00 0.00 C ATOM 923 C ASN A 63 11.498 7.517 -8.750 1.00 0.00 C ATOM 924 O ASN A 63 11.019 7.544 -7.617 1.00 0.00 O ATOM 925 CB ASN A 63 13.871 7.970 -9.291 1.00 0.00 C ATOM 926 CG ASN A 63 15.302 7.430 -9.245 1.00 0.00 C ATOM 927 OD1 ASN A 63 15.820 7.060 -8.205 1.00 0.00 O ATOM 928 ND2 ASN A 63 15.909 7.406 -10.428 1.00 0.00 N ATOM 0 H ASN A 63 13.541 5.964 -10.768 1.00 0.00 H new ATOM 0 HA ASN A 63 13.184 6.289 -8.135 1.00 0.00 H new ATOM 0 HB2 ASN A 63 13.673 8.403 -10.272 1.00 0.00 H new ATOM 0 HB3 ASN A 63 13.757 8.771 -8.560 1.00 0.00 H new ATOM 0 HD21 ASN A 63 16.867 7.063 -10.503 1.00 0.00 H new ATOM 0 HD22 ASN A 63 15.417 7.731 -11.260 1.00 0.00 H new ATOM 935 N ILE A 64 10.916 8.031 -9.823 1.00 0.00 N ATOM 936 CA ILE A 64 9.622 8.685 -9.732 1.00 0.00 C ATOM 937 C ILE A 64 8.522 7.623 -9.660 1.00 0.00 C ATOM 938 O ILE A 64 7.692 7.522 -10.562 1.00 0.00 O ATOM 939 CB ILE A 64 9.442 9.679 -10.881 1.00 0.00 C ATOM 940 CG1 ILE A 64 9.668 9.001 -12.233 1.00 0.00 C ATOM 941 CG2 ILE A 64 10.343 10.902 -10.694 1.00 0.00 C ATOM 942 CD1 ILE A 64 9.085 9.841 -13.372 1.00 0.00 C ATOM 0 H ILE A 64 11.317 8.008 -10.761 1.00 0.00 H new ATOM 0 HA ILE A 64 9.557 9.275 -8.818 1.00 0.00 H new ATOM 0 HB ILE A 64 8.411 10.034 -10.868 1.00 0.00 H new ATOM 0 HG12 ILE A 64 10.736 8.852 -12.395 1.00 0.00 H new ATOM 0 HG13 ILE A 64 9.206 8.014 -12.231 1.00 0.00 H new ATOM 0 HG21 ILE A 64 10.196 11.593 -11.524 1.00 0.00 H new ATOM 0 HG22 ILE A 64 10.090 11.400 -9.758 1.00 0.00 H new ATOM 0 HG23 ILE A 64 11.386 10.585 -10.666 1.00 0.00 H new ATOM 0 HD11 ILE A 64 9.259 9.336 -14.322 1.00 0.00 H new ATOM 0 HD12 ILE A 64 8.013 9.967 -13.219 1.00 0.00 H new ATOM 0 HD13 ILE A 64 9.567 10.819 -13.387 1.00 0.00 H new ATOM 954 N LEU A 65 8.552 6.859 -8.578 1.00 0.00 N ATOM 955 CA LEU A 65 7.569 5.808 -8.377 1.00 0.00 C ATOM 956 C LEU A 65 7.827 5.125 -7.032 1.00 0.00 C ATOM 957 O LEU A 65 8.869 4.499 -6.840 1.00 0.00 O ATOM 958 CB LEU A 65 7.562 4.845 -9.565 1.00 0.00 C ATOM 959 CG LEU A 65 7.410 3.361 -9.225 1.00 0.00 C ATOM 960 CD1 LEU A 65 5.970 3.036 -8.821 1.00 0.00 C ATOM 961 CD2 LEU A 65 7.893 2.481 -10.380 1.00 0.00 C ATOM 0 H LEU A 65 9.241 6.947 -7.831 1.00 0.00 H new ATOM 0 HA LEU A 65 6.565 6.229 -8.334 1.00 0.00 H new ATOM 0 HB2 LEU A 65 6.749 5.129 -10.233 1.00 0.00 H new ATOM 0 HB3 LEU A 65 8.491 4.977 -10.120 1.00 0.00 H new ATOM 0 HG LEU A 65 8.044 3.141 -8.366 1.00 0.00 H new ATOM 0 HD11 LEU A 65 5.889 1.975 -8.584 1.00 0.00 H new ATOM 0 HD12 LEU A 65 5.696 3.625 -7.946 1.00 0.00 H new ATOM 0 HD13 LEU A 65 5.298 3.276 -9.645 1.00 0.00 H new ATOM 0 HD21 LEU A 65 7.774 1.431 -10.112 1.00 0.00 H new ATOM 0 HD22 LEU A 65 7.305 2.697 -11.272 1.00 0.00 H new ATOM 0 HD23 LEU A 65 8.944 2.687 -10.580 1.00 0.00 H new ATOM 973 N ARG A 66 6.861 5.267 -6.137 1.00 0.00 N ATOM 974 CA ARG A 66 6.971 4.671 -4.816 1.00 0.00 C ATOM 975 C ARG A 66 5.590 4.565 -4.165 1.00 0.00 C ATOM 976 O ARG A 66 4.709 5.380 -4.434 1.00 0.00 O ATOM 977 CB ARG A 66 7.890 5.497 -3.914 1.00 0.00 C ATOM 978 CG ARG A 66 9.260 4.830 -3.769 1.00 0.00 C ATOM 979 CD ARG A 66 9.978 5.321 -2.511 1.00 0.00 C ATOM 980 NE ARG A 66 11.419 5.512 -2.793 1.00 0.00 N ATOM 981 CZ ARG A 66 12.360 5.626 -1.846 1.00 0.00 C ATOM 982 NH1 ARG A 66 12.020 5.569 -0.552 1.00 0.00 N ATOM 983 NH2 ARG A 66 13.643 5.797 -2.195 1.00 0.00 N ATOM 0 H ARG A 66 5.998 5.786 -6.300 1.00 0.00 H new ATOM 0 HA ARG A 66 7.398 3.675 -4.936 1.00 0.00 H new ATOM 0 HB2 ARG A 66 8.011 6.497 -4.330 1.00 0.00 H new ATOM 0 HB3 ARG A 66 7.432 5.614 -2.932 1.00 0.00 H new ATOM 0 HG2 ARG A 66 9.139 3.748 -3.724 1.00 0.00 H new ATOM 0 HG3 ARG A 66 9.868 5.046 -4.647 1.00 0.00 H new ATOM 0 HD2 ARG A 66 9.537 6.259 -2.174 1.00 0.00 H new ATOM 0 HD3 ARG A 66 9.849 4.600 -1.704 1.00 0.00 H new ATOM 0 HE ARG A 66 11.713 5.560 -3.768 1.00 0.00 H new ATOM 0 HH11 ARG A 66 11.044 5.439 -0.286 1.00 0.00 H new ATOM 0 HH12 ARG A 66 12.737 5.656 0.168 1.00 0.00 H new ATOM 0 HH21 ARG A 66 13.902 5.840 -3.181 1.00 0.00 H new ATOM 0 HH22 ARG A 66 14.360 5.884 -1.475 1.00 0.00 H new ATOM 997 N LEU A 67 5.446 3.555 -3.321 1.00 0.00 N ATOM 998 CA LEU A 67 4.187 3.331 -2.629 1.00 0.00 C ATOM 999 C LEU A 67 4.390 3.546 -1.128 1.00 0.00 C ATOM 1000 O LEU A 67 5.287 2.954 -0.529 1.00 0.00 O ATOM 1001 CB LEU A 67 3.618 1.956 -2.983 1.00 0.00 C ATOM 1002 CG LEU A 67 3.246 1.060 -1.800 1.00 0.00 C ATOM 1003 CD1 LEU A 67 2.000 1.586 -1.084 1.00 0.00 C ATOM 1004 CD2 LEU A 67 3.080 -0.395 -2.245 1.00 0.00 C ATOM 0 H LEU A 67 6.180 2.882 -3.100 1.00 0.00 H new ATOM 0 HA LEU A 67 3.439 4.053 -2.956 1.00 0.00 H new ATOM 0 HB2 LEU A 67 2.730 2.100 -3.598 1.00 0.00 H new ATOM 0 HB3 LEU A 67 4.349 1.429 -3.597 1.00 0.00 H new ATOM 0 HG LEU A 67 4.065 1.086 -1.081 1.00 0.00 H new ATOM 0 HD11 LEU A 67 1.757 0.931 -0.247 1.00 0.00 H new ATOM 0 HD12 LEU A 67 2.191 2.593 -0.713 1.00 0.00 H new ATOM 0 HD13 LEU A 67 1.162 1.609 -1.781 1.00 0.00 H new ATOM 0 HD21 LEU A 67 2.816 -1.011 -1.385 1.00 0.00 H new ATOM 0 HD22 LEU A 67 2.290 -0.459 -2.993 1.00 0.00 H new ATOM 0 HD23 LEU A 67 4.016 -0.753 -2.674 1.00 0.00 H new ATOM 1016 N ILE A 68 3.543 4.393 -0.564 1.00 0.00 N ATOM 1017 CA ILE A 68 3.618 4.693 0.856 1.00 0.00 C ATOM 1018 C ILE A 68 2.681 3.755 1.621 1.00 0.00 C ATOM 1019 O ILE A 68 1.524 3.583 1.242 1.00 0.00 O ATOM 1020 CB ILE A 68 3.341 6.176 1.106 1.00 0.00 C ATOM 1021 CG1 ILE A 68 4.477 7.045 0.561 1.00 0.00 C ATOM 1022 CG2 ILE A 68 3.077 6.443 2.589 1.00 0.00 C ATOM 1023 CD1 ILE A 68 4.080 7.697 -0.765 1.00 0.00 C ATOM 0 H ILE A 68 2.801 4.882 -1.064 1.00 0.00 H new ATOM 0 HA ILE A 68 4.626 4.513 1.230 1.00 0.00 H new ATOM 0 HB ILE A 68 2.436 6.450 0.564 1.00 0.00 H new ATOM 0 HG12 ILE A 68 4.731 7.816 1.288 1.00 0.00 H new ATOM 0 HG13 ILE A 68 5.369 6.436 0.418 1.00 0.00 H new ATOM 0 HG21 ILE A 68 2.883 7.505 2.739 1.00 0.00 H new ATOM 0 HG22 ILE A 68 2.211 5.867 2.914 1.00 0.00 H new ATOM 0 HG23 ILE A 68 3.949 6.148 3.173 1.00 0.00 H new ATOM 0 HD11 ILE A 68 4.904 8.309 -1.131 1.00 0.00 H new ATOM 0 HD12 ILE A 68 3.850 6.923 -1.497 1.00 0.00 H new ATOM 0 HD13 ILE A 68 3.202 8.325 -0.613 1.00 0.00 H new ATOM 1035 N TYR A 69 3.217 3.174 2.684 1.00 0.00 N ATOM 1036 CA TYR A 69 2.443 2.258 3.506 1.00 0.00 C ATOM 1037 C TYR A 69 2.529 2.642 4.984 1.00 0.00 C ATOM 1038 O TYR A 69 3.617 2.675 5.558 1.00 0.00 O ATOM 1039 CB TYR A 69 3.076 0.879 3.311 1.00 0.00 C ATOM 1040 CG TYR A 69 2.373 -0.242 4.078 1.00 0.00 C ATOM 1041 CD1 TYR A 69 1.018 -0.162 4.329 1.00 0.00 C ATOM 1042 CD2 TYR A 69 3.093 -1.334 4.519 1.00 0.00 C ATOM 1043 CE1 TYR A 69 0.356 -1.218 5.050 1.00 0.00 C ATOM 1044 CE2 TYR A 69 2.431 -2.390 5.240 1.00 0.00 C ATOM 1045 CZ TYR A 69 1.095 -2.279 5.471 1.00 0.00 C ATOM 1046 OH TYR A 69 0.469 -3.276 6.152 1.00 0.00 O ATOM 0 H TYR A 69 4.177 3.319 2.995 1.00 0.00 H new ATOM 0 HA TYR A 69 1.392 2.279 3.219 1.00 0.00 H new ATOM 0 HB2 TYR A 69 3.073 0.636 2.248 1.00 0.00 H new ATOM 0 HB3 TYR A 69 4.119 0.922 3.625 1.00 0.00 H new ATOM 0 HD1 TYR A 69 0.454 0.693 3.985 1.00 0.00 H new ATOM 0 HD2 TYR A 69 4.153 -1.396 4.323 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -0.704 -1.169 5.252 1.00 0.00 H new ATOM 0 HE2 TYR A 69 2.982 -3.250 5.589 1.00 0.00 H new ATOM 0 HH TYR A 69 -0.462 -3.341 5.854 1.00 0.00 H new ATOM 1056 N GLN A 70 1.369 2.923 5.558 1.00 0.00 N ATOM 1057 CA GLN A 70 1.299 3.303 6.959 1.00 0.00 C ATOM 1058 C GLN A 70 2.197 4.513 7.226 1.00 0.00 C ATOM 1059 O GLN A 70 2.733 4.662 8.323 1.00 0.00 O ATOM 1060 CB GLN A 70 1.677 2.129 7.865 1.00 0.00 C ATOM 1061 CG GLN A 70 0.430 1.374 8.332 1.00 0.00 C ATOM 1062 CD GLN A 70 0.334 1.365 9.859 1.00 0.00 C ATOM 1063 OE1 GLN A 70 0.282 2.396 10.509 1.00 0.00 O ATOM 1064 NE2 GLN A 70 0.314 0.147 10.392 1.00 0.00 N ATOM 0 H GLN A 70 0.469 2.895 5.078 1.00 0.00 H new ATOM 0 HA GLN A 70 0.270 3.580 7.189 1.00 0.00 H new ATOM 0 HB2 GLN A 70 2.339 1.449 7.328 1.00 0.00 H new ATOM 0 HB3 GLN A 70 2.230 2.496 8.730 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -0.461 1.840 7.911 1.00 0.00 H new ATOM 0 HG3 GLN A 70 0.460 0.350 7.960 1.00 0.00 H new ATOM 0 HE21 GLN A 70 0.361 -0.674 9.789 1.00 0.00 H new ATOM 0 HE22 GLN A 70 0.252 0.034 11.404 1.00 0.00 H new ATOM 1073 N GLY A 71 2.334 5.345 6.204 1.00 0.00 N ATOM 1074 CA GLY A 71 3.158 6.536 6.314 1.00 0.00 C ATOM 1075 C GLY A 71 4.557 6.290 5.745 1.00 0.00 C ATOM 1076 O GLY A 71 5.172 7.197 5.186 1.00 0.00 O ATOM 0 H GLY A 71 1.888 5.217 5.296 1.00 0.00 H new ATOM 0 HA2 GLY A 71 2.685 7.360 5.781 1.00 0.00 H new ATOM 0 HA3 GLY A 71 3.234 6.834 7.360 1.00 0.00 H new ATOM 1080 N ARG A 72 5.019 5.059 5.907 1.00 0.00 N ATOM 1081 CA ARG A 72 6.334 4.682 5.416 1.00 0.00 C ATOM 1082 C ARG A 72 6.283 4.421 3.909 1.00 0.00 C ATOM 1083 O ARG A 72 5.226 4.535 3.291 1.00 0.00 O ATOM 1084 CB ARG A 72 6.849 3.430 6.127 1.00 0.00 C ATOM 1085 CG ARG A 72 7.582 3.795 7.420 1.00 0.00 C ATOM 1086 CD ARG A 72 8.407 2.614 7.935 1.00 0.00 C ATOM 1087 NE ARG A 72 8.738 2.813 9.363 1.00 0.00 N ATOM 1088 CZ ARG A 72 9.152 1.836 10.182 1.00 0.00 C ATOM 1089 NH1 ARG A 72 9.287 0.586 9.718 1.00 0.00 N ATOM 1090 NH2 ARG A 72 9.430 2.109 11.464 1.00 0.00 N ATOM 0 H ARG A 72 4.506 4.309 6.371 1.00 0.00 H new ATOM 0 HA ARG A 72 7.015 5.508 5.622 1.00 0.00 H new ATOM 0 HB2 ARG A 72 6.014 2.767 6.353 1.00 0.00 H new ATOM 0 HB3 ARG A 72 7.521 2.883 5.466 1.00 0.00 H new ATOM 0 HG2 ARG A 72 8.235 4.650 7.243 1.00 0.00 H new ATOM 0 HG3 ARG A 72 6.860 4.097 8.179 1.00 0.00 H new ATOM 0 HD2 ARG A 72 7.848 1.687 7.808 1.00 0.00 H new ATOM 0 HD3 ARG A 72 9.322 2.517 7.351 1.00 0.00 H new ATOM 0 HE ARG A 72 8.645 3.753 9.749 1.00 0.00 H new ATOM 0 HH11 ARG A 72 9.075 0.379 8.742 1.00 0.00 H new ATOM 0 HH12 ARG A 72 9.602 -0.158 10.341 1.00 0.00 H new ATOM 0 HH21 ARG A 72 9.327 3.060 11.817 1.00 0.00 H new ATOM 0 HH22 ARG A 72 9.745 1.365 12.087 1.00 0.00 H new ATOM 1104 N PHE A 73 7.439 4.074 3.362 1.00 0.00 N ATOM 1105 CA PHE A 73 7.539 3.795 1.939 1.00 0.00 C ATOM 1106 C PHE A 73 8.017 2.363 1.694 1.00 0.00 C ATOM 1107 O PHE A 73 8.940 1.890 2.356 1.00 0.00 O ATOM 1108 CB PHE A 73 8.569 4.769 1.364 1.00 0.00 C ATOM 1109 CG PHE A 73 8.167 6.241 1.481 1.00 0.00 C ATOM 1110 CD1 PHE A 73 8.265 6.880 2.678 1.00 0.00 C ATOM 1111 CD2 PHE A 73 7.712 6.911 0.389 1.00 0.00 C ATOM 1112 CE1 PHE A 73 7.892 8.245 2.787 1.00 0.00 C ATOM 1113 CE2 PHE A 73 7.338 8.276 0.497 1.00 0.00 C ATOM 1114 CZ PHE A 73 7.436 8.915 1.694 1.00 0.00 C ATOM 0 H PHE A 73 8.314 3.980 3.878 1.00 0.00 H new ATOM 0 HA PHE A 73 6.563 3.910 1.468 1.00 0.00 H new ATOM 0 HB2 PHE A 73 9.520 4.621 1.876 1.00 0.00 H new ATOM 0 HB3 PHE A 73 8.733 4.530 0.313 1.00 0.00 H new ATOM 0 HD1 PHE A 73 8.627 6.348 3.546 1.00 0.00 H new ATOM 0 HD2 PHE A 73 7.635 6.404 -0.562 1.00 0.00 H new ATOM 0 HE1 PHE A 73 7.970 8.752 3.737 1.00 0.00 H new ATOM 0 HE2 PHE A 73 6.976 8.807 -0.371 1.00 0.00 H new ATOM 0 HZ PHE A 73 7.152 9.954 1.777 1.00 0.00 H new ATOM 1124 N LEU A 74 7.367 1.711 0.741 1.00 0.00 N ATOM 1125 CA LEU A 74 7.715 0.342 0.400 1.00 0.00 C ATOM 1126 C LEU A 74 8.646 0.344 -0.814 1.00 0.00 C ATOM 1127 O LEU A 74 8.554 1.222 -1.671 1.00 0.00 O ATOM 1128 CB LEU A 74 6.451 -0.498 0.203 1.00 0.00 C ATOM 1129 CG LEU A 74 5.640 -0.795 1.466 1.00 0.00 C ATOM 1130 CD1 LEU A 74 4.360 -1.561 1.128 1.00 0.00 C ATOM 1131 CD2 LEU A 74 6.491 -1.530 2.504 1.00 0.00 C ATOM 0 H LEU A 74 6.601 2.105 0.194 1.00 0.00 H new ATOM 0 HA LEU A 74 8.259 -0.128 1.219 1.00 0.00 H new ATOM 0 HB2 LEU A 74 5.804 0.016 -0.508 1.00 0.00 H new ATOM 0 HB3 LEU A 74 6.736 -1.446 -0.253 1.00 0.00 H new ATOM 0 HG LEU A 74 5.339 0.154 1.910 1.00 0.00 H new ATOM 0 HD11 LEU A 74 3.802 -1.759 2.043 1.00 0.00 H new ATOM 0 HD12 LEU A 74 3.747 -0.965 0.452 1.00 0.00 H new ATOM 0 HD13 LEU A 74 4.617 -2.505 0.648 1.00 0.00 H new ATOM 0 HD21 LEU A 74 5.891 -1.729 3.392 1.00 0.00 H new ATOM 0 HD22 LEU A 74 6.842 -2.473 2.085 1.00 0.00 H new ATOM 0 HD23 LEU A 74 7.347 -0.912 2.776 1.00 0.00 H new ATOM 1143 N HIS A 75 9.523 -0.649 -0.848 1.00 0.00 N ATOM 1144 CA HIS A 75 10.471 -0.773 -1.942 1.00 0.00 C ATOM 1145 C HIS A 75 9.733 -1.188 -3.216 1.00 0.00 C ATOM 1146 O HIS A 75 8.612 -1.692 -3.153 1.00 0.00 O ATOM 1147 CB HIS A 75 11.603 -1.733 -1.574 1.00 0.00 C ATOM 1148 CG HIS A 75 12.976 -1.245 -1.969 1.00 0.00 C ATOM 1149 ND1 HIS A 75 13.630 -1.685 -3.108 1.00 0.00 N ATOM 1150 CD2 HIS A 75 13.811 -0.350 -1.368 1.00 0.00 C ATOM 1151 CE1 HIS A 75 14.804 -1.076 -3.177 1.00 0.00 C ATOM 1152 NE2 HIS A 75 14.916 -0.250 -2.098 1.00 0.00 N ATOM 0 H HIS A 75 9.597 -1.375 -0.135 1.00 0.00 H new ATOM 0 HA HIS A 75 10.939 0.193 -2.133 1.00 0.00 H new ATOM 0 HB2 HIS A 75 11.585 -1.903 -0.498 1.00 0.00 H new ATOM 0 HB3 HIS A 75 11.419 -2.695 -2.052 1.00 0.00 H new ATOM 0 HD2 HIS A 75 13.608 0.187 -0.453 1.00 0.00 H new ATOM 0 HE1 HIS A 75 15.544 -1.210 -3.953 1.00 0.00 H new ATOM 0 HE2 HIS A 75 15.716 0.346 -1.886 1.00 0.00 H new ATOM 1160 N GLY A 76 10.390 -0.960 -4.344 1.00 0.00 N ATOM 1161 CA GLY A 76 9.810 -1.303 -5.631 1.00 0.00 C ATOM 1162 C GLY A 76 9.932 -2.804 -5.904 1.00 0.00 C ATOM 1163 O GLY A 76 9.196 -3.351 -6.724 1.00 0.00 O ATOM 0 H GLY A 76 11.319 -0.542 -4.393 1.00 0.00 H new ATOM 0 HA2 GLY A 76 8.760 -1.010 -5.651 1.00 0.00 H new ATOM 0 HA3 GLY A 76 10.312 -0.744 -6.421 1.00 0.00 H new ATOM 1167 N ASN A 77 10.866 -3.427 -5.201 1.00 0.00 N ATOM 1168 CA ASN A 77 11.093 -4.854 -5.357 1.00 0.00 C ATOM 1169 C ASN A 77 10.234 -5.616 -4.347 1.00 0.00 C ATOM 1170 O ASN A 77 9.969 -6.805 -4.524 1.00 0.00 O ATOM 1171 CB ASN A 77 12.558 -5.210 -5.097 1.00 0.00 C ATOM 1172 CG ASN A 77 13.162 -5.954 -6.289 1.00 0.00 C ATOM 1173 OD1 ASN A 77 12.945 -5.615 -7.441 1.00 0.00 O ATOM 1174 ND2 ASN A 77 13.930 -6.986 -5.950 1.00 0.00 N ATOM 0 H ASN A 77 11.475 -2.970 -4.522 1.00 0.00 H new ATOM 0 HA ASN A 77 10.832 -5.128 -6.379 1.00 0.00 H new ATOM 0 HB2 ASN A 77 13.128 -4.301 -4.905 1.00 0.00 H new ATOM 0 HB3 ASN A 77 12.632 -5.828 -4.202 1.00 0.00 H new ATOM 0 HD21 ASN A 77 14.379 -7.547 -6.674 1.00 0.00 H new ATOM 0 HD22 ASN A 77 14.070 -7.216 -4.966 1.00 0.00 H new ATOM 1181 N VAL A 78 9.823 -4.902 -3.310 1.00 0.00 N ATOM 1182 CA VAL A 78 8.999 -5.497 -2.271 1.00 0.00 C ATOM 1183 C VAL A 78 7.770 -6.147 -2.910 1.00 0.00 C ATOM 1184 O VAL A 78 7.289 -5.690 -3.946 1.00 0.00 O ATOM 1185 CB VAL A 78 8.639 -4.443 -1.221 1.00 0.00 C ATOM 1186 CG1 VAL A 78 7.382 -4.846 -0.449 1.00 0.00 C ATOM 1187 CG2 VAL A 78 9.811 -4.196 -0.269 1.00 0.00 C ATOM 0 H VAL A 78 10.045 -3.917 -3.167 1.00 0.00 H new ATOM 0 HA VAL A 78 9.548 -6.281 -1.751 1.00 0.00 H new ATOM 0 HB VAL A 78 8.427 -3.509 -1.742 1.00 0.00 H new ATOM 0 HG11 VAL A 78 7.148 -4.080 0.291 1.00 0.00 H new ATOM 0 HG12 VAL A 78 6.547 -4.949 -1.142 1.00 0.00 H new ATOM 0 HG13 VAL A 78 7.554 -5.797 0.055 1.00 0.00 H new ATOM 0 HG21 VAL A 78 9.529 -3.443 0.467 1.00 0.00 H new ATOM 0 HG22 VAL A 78 10.067 -5.124 0.241 1.00 0.00 H new ATOM 0 HG23 VAL A 78 10.673 -3.844 -0.836 1.00 0.00 H new ATOM 1197 N THR A 79 7.298 -7.204 -2.266 1.00 0.00 N ATOM 1198 CA THR A 79 6.134 -7.922 -2.759 1.00 0.00 C ATOM 1199 C THR A 79 5.203 -8.286 -1.601 1.00 0.00 C ATOM 1200 O THR A 79 5.660 -8.713 -0.542 1.00 0.00 O ATOM 1201 CB THR A 79 6.628 -9.137 -3.547 1.00 0.00 C ATOM 1202 OG1 THR A 79 7.475 -9.825 -2.631 1.00 0.00 O ATOM 1203 CG2 THR A 79 7.559 -8.750 -4.697 1.00 0.00 C ATOM 0 H THR A 79 7.700 -7.581 -1.408 1.00 0.00 H new ATOM 0 HA THR A 79 5.540 -7.301 -3.429 1.00 0.00 H new ATOM 0 HB THR A 79 5.773 -9.685 -3.942 1.00 0.00 H new ATOM 0 HG1 THR A 79 7.837 -10.628 -3.060 1.00 0.00 H new ATOM 0 HG21 THR A 79 7.880 -9.649 -5.223 1.00 0.00 H new ATOM 0 HG22 THR A 79 7.030 -8.094 -5.389 1.00 0.00 H new ATOM 0 HG23 THR A 79 8.431 -8.231 -4.300 1.00 0.00 H new ATOM 1211 N LEU A 80 3.913 -8.105 -1.842 1.00 0.00 N ATOM 1212 CA LEU A 80 2.913 -8.409 -0.833 1.00 0.00 C ATOM 1213 C LEU A 80 3.304 -9.696 -0.105 1.00 0.00 C ATOM 1214 O LEU A 80 3.092 -9.821 1.100 1.00 0.00 O ATOM 1215 CB LEU A 80 1.517 -8.456 -1.459 1.00 0.00 C ATOM 1216 CG LEU A 80 0.857 -7.103 -1.730 1.00 0.00 C ATOM 1217 CD1 LEU A 80 -0.444 -7.275 -2.516 1.00 0.00 C ATOM 1218 CD2 LEU A 80 0.643 -6.327 -0.429 1.00 0.00 C ATOM 0 H LEU A 80 3.537 -7.751 -2.722 1.00 0.00 H new ATOM 0 HA LEU A 80 2.875 -7.618 -0.084 1.00 0.00 H new ATOM 0 HB2 LEU A 80 1.581 -9.002 -2.400 1.00 0.00 H new ATOM 0 HB3 LEU A 80 0.865 -9.031 -0.801 1.00 0.00 H new ATOM 0 HG LEU A 80 1.531 -6.512 -2.350 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -0.893 -6.298 -2.695 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -0.232 -7.757 -3.470 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -1.136 -7.893 -1.943 1.00 0.00 H new ATOM 0 HD21 LEU A 80 0.172 -5.369 -0.650 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -0.001 -6.903 0.236 1.00 0.00 H new ATOM 0 HD23 LEU A 80 1.605 -6.156 0.055 1.00 0.00 H new ATOM 1230 N GLY A 81 3.869 -10.621 -0.867 1.00 0.00 N ATOM 1231 CA GLY A 81 4.293 -11.894 -0.309 1.00 0.00 C ATOM 1232 C GLY A 81 5.330 -11.690 0.797 1.00 0.00 C ATOM 1233 O GLY A 81 5.179 -12.217 1.898 1.00 0.00 O ATOM 0 H GLY A 81 4.043 -10.514 -1.866 1.00 0.00 H new ATOM 0 HA2 GLY A 81 3.429 -12.425 0.091 1.00 0.00 H new ATOM 0 HA3 GLY A 81 4.715 -12.518 -1.097 1.00 0.00 H new ATOM 1237 N ALA A 82 6.360 -10.926 0.465 1.00 0.00 N ATOM 1238 CA ALA A 82 7.422 -10.646 1.416 1.00 0.00 C ATOM 1239 C ALA A 82 6.845 -9.875 2.606 1.00 0.00 C ATOM 1240 O ALA A 82 7.453 -9.830 3.674 1.00 0.00 O ATOM 1241 CB ALA A 82 8.547 -9.881 0.716 1.00 0.00 C ATOM 0 H ALA A 82 6.482 -10.492 -0.450 1.00 0.00 H new ATOM 0 HA ALA A 82 7.848 -11.573 1.799 1.00 0.00 H new ATOM 0 HB1 ALA A 82 9.343 -9.671 1.430 1.00 0.00 H new ATOM 0 HB2 ALA A 82 8.942 -10.483 -0.102 1.00 0.00 H new ATOM 0 HB3 ALA A 82 8.158 -8.943 0.321 1.00 0.00 H new ATOM 1247 N LEU A 83 5.679 -9.288 2.380 1.00 0.00 N ATOM 1248 CA LEU A 83 5.014 -8.522 3.420 1.00 0.00 C ATOM 1249 C LEU A 83 4.102 -9.448 4.226 1.00 0.00 C ATOM 1250 O LEU A 83 3.434 -9.009 5.162 1.00 0.00 O ATOM 1251 CB LEU A 83 4.288 -7.318 2.816 1.00 0.00 C ATOM 1252 CG LEU A 83 5.155 -6.343 2.016 1.00 0.00 C ATOM 1253 CD1 LEU A 83 4.300 -5.250 1.373 1.00 0.00 C ATOM 1254 CD2 LEU A 83 6.271 -5.762 2.886 1.00 0.00 C ATOM 0 H LEU A 83 5.178 -9.327 1.492 1.00 0.00 H new ATOM 0 HA LEU A 83 5.745 -8.110 4.116 1.00 0.00 H new ATOM 0 HB2 LEU A 83 3.495 -7.686 2.165 1.00 0.00 H new ATOM 0 HB3 LEU A 83 3.807 -6.766 3.624 1.00 0.00 H new ATOM 0 HG LEU A 83 5.633 -6.895 1.206 1.00 0.00 H new ATOM 0 HD11 LEU A 83 4.941 -4.571 0.811 1.00 0.00 H new ATOM 0 HD12 LEU A 83 3.574 -5.705 0.699 1.00 0.00 H new ATOM 0 HD13 LEU A 83 3.775 -4.694 2.150 1.00 0.00 H new ATOM 0 HD21 LEU A 83 6.872 -5.072 2.294 1.00 0.00 H new ATOM 0 HD22 LEU A 83 5.834 -5.229 3.730 1.00 0.00 H new ATOM 0 HD23 LEU A 83 6.903 -6.570 3.255 1.00 0.00 H new ATOM 1266 N LYS A 84 4.102 -10.714 3.835 1.00 0.00 N ATOM 1267 CA LYS A 84 3.283 -11.707 4.510 1.00 0.00 C ATOM 1268 C LYS A 84 2.002 -11.044 5.018 1.00 0.00 C ATOM 1269 O LYS A 84 1.580 -11.286 6.148 1.00 0.00 O ATOM 1270 CB LYS A 84 4.088 -12.411 5.604 1.00 0.00 C ATOM 1271 CG LYS A 84 4.762 -11.395 6.529 1.00 0.00 C ATOM 1272 CD LYS A 84 3.762 -10.823 7.536 1.00 0.00 C ATOM 1273 CE LYS A 84 4.484 -10.222 8.744 1.00 0.00 C ATOM 1274 NZ LYS A 84 3.508 -9.812 9.779 1.00 0.00 N ATOM 0 H LYS A 84 4.656 -11.075 3.059 1.00 0.00 H new ATOM 0 HA LYS A 84 2.982 -12.491 3.814 1.00 0.00 H new ATOM 0 HB2 LYS A 84 3.430 -13.057 6.185 1.00 0.00 H new ATOM 0 HB3 LYS A 84 4.844 -13.051 5.149 1.00 0.00 H new ATOM 0 HG2 LYS A 84 5.586 -11.872 7.060 1.00 0.00 H new ATOM 0 HG3 LYS A 84 5.190 -10.586 5.937 1.00 0.00 H new ATOM 0 HD2 LYS A 84 3.153 -10.058 7.055 1.00 0.00 H new ATOM 0 HD3 LYS A 84 3.084 -11.609 7.867 1.00 0.00 H new ATOM 0 HE2 LYS A 84 5.179 -10.951 9.160 1.00 0.00 H new ATOM 0 HE3 LYS A 84 5.075 -9.361 8.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 4.014 -9.406 10.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 2.861 -9.100 9.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 2.962 -10.641 10.090 1.00 0.00 H new ATOM 1288 N LEU A 85 1.419 -10.220 4.160 1.00 0.00 N ATOM 1289 CA LEU A 85 0.194 -9.520 4.509 1.00 0.00 C ATOM 1290 C LEU A 85 -0.956 -10.526 4.593 1.00 0.00 C ATOM 1291 O LEU A 85 -0.934 -11.557 3.924 1.00 0.00 O ATOM 1292 CB LEU A 85 -0.064 -8.372 3.531 1.00 0.00 C ATOM 1293 CG LEU A 85 -0.049 -6.964 4.131 1.00 0.00 C ATOM 1294 CD1 LEU A 85 1.046 -6.831 5.190 1.00 0.00 C ATOM 1295 CD2 LEU A 85 0.080 -5.903 3.036 1.00 0.00 C ATOM 0 H LEU A 85 1.772 -10.021 3.224 1.00 0.00 H new ATOM 0 HA LEU A 85 0.286 -9.057 5.491 1.00 0.00 H new ATOM 0 HB2 LEU A 85 0.687 -8.417 2.742 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -1.033 -8.534 3.059 1.00 0.00 H new ATOM 0 HG LEU A 85 -1.003 -6.796 4.632 1.00 0.00 H new ATOM 0 HD11 LEU A 85 1.035 -5.821 5.600 1.00 0.00 H new ATOM 0 HD12 LEU A 85 0.868 -7.550 5.990 1.00 0.00 H new ATOM 0 HD13 LEU A 85 2.017 -7.027 4.736 1.00 0.00 H new ATOM 0 HD21 LEU A 85 0.088 -4.912 3.489 1.00 0.00 H new ATOM 0 HD22 LEU A 85 1.008 -6.058 2.486 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -0.765 -5.982 2.351 1.00 0.00 H new ATOM 1307 N PRO A 86 -1.960 -10.181 5.444 1.00 0.00 N ATOM 1308 CA PRO A 86 -3.116 -11.041 5.625 1.00 0.00 C ATOM 1309 C PRO A 86 -4.059 -10.953 4.423 1.00 0.00 C ATOM 1310 O PRO A 86 -4.302 -9.867 3.898 1.00 0.00 O ATOM 1311 CB PRO A 86 -3.759 -10.569 6.919 1.00 0.00 C ATOM 1312 CG PRO A 86 -3.214 -9.173 7.170 1.00 0.00 C ATOM 1313 CD PRO A 86 -2.019 -8.967 6.253 1.00 0.00 C ATOM 0 HA PRO A 86 -2.849 -12.096 5.690 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -4.845 -10.554 6.833 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -3.514 -11.238 7.744 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -3.980 -8.423 6.973 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -2.919 -9.060 8.213 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -2.146 -8.082 5.630 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -1.101 -8.826 6.824 1.00 0.00 H new ATOM 1321 N PHE A 87 -4.563 -12.110 4.021 1.00 0.00 N ATOM 1322 CA PHE A 87 -5.473 -12.178 2.890 1.00 0.00 C ATOM 1323 C PHE A 87 -6.885 -11.750 3.297 1.00 0.00 C ATOM 1324 O PHE A 87 -7.158 -11.539 4.477 1.00 0.00 O ATOM 1325 CB PHE A 87 -5.508 -13.636 2.430 1.00 0.00 C ATOM 1326 CG PHE A 87 -4.172 -14.149 1.887 1.00 0.00 C ATOM 1327 CD1 PHE A 87 -3.368 -13.322 1.167 1.00 0.00 C ATOM 1328 CD2 PHE A 87 -3.790 -15.433 2.124 1.00 0.00 C ATOM 1329 CE1 PHE A 87 -2.129 -13.798 0.663 1.00 0.00 C ATOM 1330 CE2 PHE A 87 -2.550 -15.909 1.620 1.00 0.00 C ATOM 1331 CZ PHE A 87 -1.746 -15.081 0.901 1.00 0.00 C ATOM 0 H PHE A 87 -4.359 -13.009 4.458 1.00 0.00 H new ATOM 0 HA PHE A 87 -5.133 -11.510 2.098 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -5.813 -14.263 3.267 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -6.269 -13.744 1.657 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -3.672 -12.303 0.978 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -4.429 -16.090 2.695 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -1.491 -13.141 0.091 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -2.246 -16.928 1.808 1.00 0.00 H new ATOM 0 HZ PHE A 87 -0.803 -15.442 0.519 1.00 0.00 H new ATOM 1341 N GLY A 88 -7.745 -11.635 2.295 1.00 0.00 N ATOM 1342 CA GLY A 88 -9.122 -11.237 2.534 1.00 0.00 C ATOM 1343 C GLY A 88 -9.193 -10.074 3.525 1.00 0.00 C ATOM 1344 O GLY A 88 -10.114 -9.999 4.336 1.00 0.00 O ATOM 0 H GLY A 88 -7.515 -11.810 1.317 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -9.589 -10.946 1.593 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -9.687 -12.085 2.922 1.00 0.00 H new ATOM 1348 N LYS A 89 -8.206 -9.194 3.427 1.00 0.00 N ATOM 1349 CA LYS A 89 -8.145 -8.038 4.305 1.00 0.00 C ATOM 1350 C LYS A 89 -7.983 -6.771 3.463 1.00 0.00 C ATOM 1351 O LYS A 89 -7.906 -6.842 2.237 1.00 0.00 O ATOM 1352 CB LYS A 89 -7.048 -8.221 5.356 1.00 0.00 C ATOM 1353 CG LYS A 89 -7.544 -9.079 6.523 1.00 0.00 C ATOM 1354 CD LYS A 89 -7.744 -8.231 7.780 1.00 0.00 C ATOM 1355 CE LYS A 89 -6.420 -8.020 8.516 1.00 0.00 C ATOM 1356 NZ LYS A 89 -6.601 -7.093 9.655 1.00 0.00 N ATOM 0 H LYS A 89 -7.443 -9.259 2.753 1.00 0.00 H new ATOM 0 HA LYS A 89 -9.076 -7.934 4.863 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -6.177 -8.690 4.899 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -6.728 -7.247 5.726 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -8.483 -9.561 6.252 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -6.826 -9.873 6.726 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -8.170 -7.266 7.508 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -8.459 -8.719 8.443 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -6.041 -8.977 8.875 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -5.675 -7.619 7.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -5.692 -6.961 10.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -6.942 -6.175 9.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -7.296 -7.490 10.319 1.00 0.00 H new ATOM 1370 N THR A 90 -7.937 -5.641 4.154 1.00 0.00 N ATOM 1371 CA THR A 90 -7.786 -4.361 3.484 1.00 0.00 C ATOM 1372 C THR A 90 -6.623 -3.575 4.093 1.00 0.00 C ATOM 1373 O THR A 90 -6.651 -3.233 5.274 1.00 0.00 O ATOM 1374 CB THR A 90 -9.125 -3.625 3.565 1.00 0.00 C ATOM 1375 OG1 THR A 90 -10.030 -4.471 2.861 1.00 0.00 O ATOM 1376 CG2 THR A 90 -9.128 -2.324 2.759 1.00 0.00 C ATOM 0 H THR A 90 -8.002 -5.586 5.170 1.00 0.00 H new ATOM 0 HA THR A 90 -7.533 -4.492 2.432 1.00 0.00 H new ATOM 0 HB THR A 90 -9.356 -3.407 4.608 1.00 0.00 H new ATOM 0 HG1 THR A 90 -10.924 -4.070 2.866 1.00 0.00 H new ATOM 0 HG21 THR A 90 -10.101 -1.842 2.850 1.00 0.00 H new ATOM 0 HG22 THR A 90 -8.355 -1.657 3.141 1.00 0.00 H new ATOM 0 HG23 THR A 90 -8.930 -2.545 1.710 1.00 0.00 H new ATOM 1384 N THR A 91 -5.628 -3.311 3.258 1.00 0.00 N ATOM 1385 CA THR A 91 -4.457 -2.572 3.699 1.00 0.00 C ATOM 1386 C THR A 91 -4.557 -1.108 3.266 1.00 0.00 C ATOM 1387 O THR A 91 -5.089 -0.808 2.199 1.00 0.00 O ATOM 1388 CB THR A 91 -3.217 -3.284 3.156 1.00 0.00 C ATOM 1389 OG1 THR A 91 -3.027 -4.380 4.046 1.00 0.00 O ATOM 1390 CG2 THR A 91 -1.945 -2.448 3.317 1.00 0.00 C ATOM 0 H THR A 91 -5.609 -3.596 2.279 1.00 0.00 H new ATOM 0 HA THR A 91 -4.387 -2.552 4.787 1.00 0.00 H new ATOM 0 HB THR A 91 -3.366 -3.519 2.102 1.00 0.00 H new ATOM 0 HG1 THR A 91 -2.472 -5.061 3.612 1.00 0.00 H new ATOM 0 HG21 THR A 91 -1.094 -2.999 2.916 1.00 0.00 H new ATOM 0 HG22 THR A 91 -2.056 -1.508 2.776 1.00 0.00 H new ATOM 0 HG23 THR A 91 -1.777 -2.241 4.374 1.00 0.00 H new ATOM 1398 N VAL A 92 -4.036 -0.236 4.117 1.00 0.00 N ATOM 1399 CA VAL A 92 -4.059 1.189 3.835 1.00 0.00 C ATOM 1400 C VAL A 92 -2.698 1.619 3.285 1.00 0.00 C ATOM 1401 O VAL A 92 -1.663 1.333 3.887 1.00 0.00 O ATOM 1402 CB VAL A 92 -4.469 1.964 5.090 1.00 0.00 C ATOM 1403 CG1 VAL A 92 -4.356 3.473 4.864 1.00 0.00 C ATOM 1404 CG2 VAL A 92 -5.882 1.580 5.534 1.00 0.00 C ATOM 0 H VAL A 92 -3.596 -0.489 5.002 1.00 0.00 H new ATOM 0 HA VAL A 92 -4.803 1.415 3.071 1.00 0.00 H new ATOM 0 HB VAL A 92 -3.781 1.693 5.891 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -4.653 4.000 5.771 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -3.325 3.728 4.617 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -5.009 3.768 4.043 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -6.149 2.145 6.427 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -6.589 1.808 4.736 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -5.917 0.513 5.755 1.00 0.00 H new ATOM 1414 N MET A 93 -2.742 2.298 2.149 1.00 0.00 N ATOM 1415 CA MET A 93 -1.524 2.770 1.511 1.00 0.00 C ATOM 1416 C MET A 93 -1.776 4.066 0.739 1.00 0.00 C ATOM 1417 O MET A 93 -2.889 4.310 0.275 1.00 0.00 O ATOM 1418 CB MET A 93 -1.001 1.698 0.553 1.00 0.00 C ATOM 1419 CG MET A 93 -0.208 0.629 1.306 1.00 0.00 C ATOM 1420 SD MET A 93 0.324 -0.647 0.176 1.00 0.00 S ATOM 1421 CE MET A 93 1.220 -1.704 1.301 1.00 0.00 C ATOM 0 H MET A 93 -3.602 2.533 1.653 1.00 0.00 H new ATOM 0 HA MET A 93 -0.784 2.969 2.286 1.00 0.00 H new ATOM 0 HB2 MET A 93 -1.837 1.234 0.029 1.00 0.00 H new ATOM 0 HB3 MET A 93 -0.367 2.160 -0.204 1.00 0.00 H new ATOM 0 HG2 MET A 93 0.657 1.081 1.791 1.00 0.00 H new ATOM 0 HG3 MET A 93 -0.824 0.195 2.094 1.00 0.00 H new ATOM 0 HE1 MET A 93 1.697 -2.509 0.742 1.00 0.00 H new ATOM 0 HE2 MET A 93 1.982 -1.121 1.819 1.00 0.00 H new ATOM 0 HE3 MET A 93 0.529 -2.128 2.030 1.00 0.00 H new ATOM 1431 N HIS A 94 -0.724 4.864 0.626 1.00 0.00 N ATOM 1432 CA HIS A 94 -0.818 6.130 -0.082 1.00 0.00 C ATOM 1433 C HIS A 94 -0.006 6.055 -1.376 1.00 0.00 C ATOM 1434 O HIS A 94 1.095 5.506 -1.392 1.00 0.00 O ATOM 1435 CB HIS A 94 -0.390 7.289 0.820 1.00 0.00 C ATOM 1436 CG HIS A 94 -1.447 7.719 1.810 1.00 0.00 C ATOM 1437 ND1 HIS A 94 -2.040 6.843 2.701 1.00 0.00 N ATOM 1438 CD2 HIS A 94 -2.009 8.941 2.039 1.00 0.00 C ATOM 1439 CE1 HIS A 94 -2.918 7.517 3.429 1.00 0.00 C ATOM 1440 NE2 HIS A 94 -2.898 8.817 3.017 1.00 0.00 N ATOM 0 H HIS A 94 0.197 4.659 1.013 1.00 0.00 H new ATOM 0 HA HIS A 94 -1.855 6.322 -0.355 1.00 0.00 H new ATOM 0 HB2 HIS A 94 0.508 6.999 1.366 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -0.122 8.142 0.196 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -1.771 9.854 1.514 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -3.540 7.109 4.211 1.00 0.00 H new ATOM 0 HE2 HIS A 94 -3.472 9.570 3.398 1.00 0.00 H new ATOM 1448 N LEU A 95 -0.580 6.615 -2.431 1.00 0.00 N ATOM 1449 CA LEU A 95 0.077 6.619 -3.727 1.00 0.00 C ATOM 1450 C LEU A 95 0.403 8.060 -4.124 1.00 0.00 C ATOM 1451 O LEU A 95 -0.376 8.973 -3.855 1.00 0.00 O ATOM 1452 CB LEU A 95 -0.771 5.873 -4.759 1.00 0.00 C ATOM 1453 CG LEU A 95 -0.405 6.110 -6.226 1.00 0.00 C ATOM 1454 CD1 LEU A 95 -0.947 7.454 -6.716 1.00 0.00 C ATOM 1455 CD2 LEU A 95 1.105 5.989 -6.440 1.00 0.00 C ATOM 0 H LEU A 95 -1.493 7.069 -2.415 1.00 0.00 H new ATOM 0 HA LEU A 95 1.023 6.080 -3.677 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -0.699 4.805 -4.555 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -1.814 6.155 -4.615 1.00 0.00 H new ATOM 0 HG LEU A 95 -0.879 5.333 -6.826 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -0.673 7.598 -7.761 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -2.033 7.465 -6.621 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -0.522 8.258 -6.116 1.00 0.00 H new ATOM 0 HD21 LEU A 95 1.339 6.162 -7.491 1.00 0.00 H new ATOM 0 HD22 LEU A 95 1.620 6.729 -5.827 1.00 0.00 H new ATOM 0 HD23 LEU A 95 1.434 4.990 -6.155 1.00 0.00 H new ATOM 1467 N VAL A 96 1.555 8.219 -4.759 1.00 0.00 N ATOM 1468 CA VAL A 96 1.993 9.533 -5.197 1.00 0.00 C ATOM 1469 C VAL A 96 2.853 9.387 -6.454 1.00 0.00 C ATOM 1470 O VAL A 96 3.261 8.281 -6.806 1.00 0.00 O ATOM 1471 CB VAL A 96 2.719 10.249 -4.056 1.00 0.00 C ATOM 1472 CG1 VAL A 96 1.807 10.404 -2.837 1.00 0.00 C ATOM 1473 CG2 VAL A 96 4.011 9.518 -3.685 1.00 0.00 C ATOM 0 H VAL A 96 2.198 7.459 -4.981 1.00 0.00 H new ATOM 0 HA VAL A 96 1.136 10.153 -5.460 1.00 0.00 H new ATOM 0 HB VAL A 96 2.986 11.247 -4.403 1.00 0.00 H new ATOM 0 HG11 VAL A 96 2.348 10.916 -2.041 1.00 0.00 H new ATOM 0 HG12 VAL A 96 0.928 10.987 -3.112 1.00 0.00 H new ATOM 0 HG13 VAL A 96 1.495 9.419 -2.489 1.00 0.00 H new ATOM 0 HG21 VAL A 96 4.508 10.047 -2.872 1.00 0.00 H new ATOM 0 HG22 VAL A 96 3.776 8.502 -3.367 1.00 0.00 H new ATOM 0 HG23 VAL A 96 4.671 9.483 -4.552 1.00 0.00 H new ATOM 1483 N ALA A 97 3.102 10.519 -7.097 1.00 0.00 N ATOM 1484 CA ALA A 97 3.905 10.530 -8.307 1.00 0.00 C ATOM 1485 C ALA A 97 4.986 11.606 -8.186 1.00 0.00 C ATOM 1486 O ALA A 97 4.691 12.799 -8.251 1.00 0.00 O ATOM 1487 CB ALA A 97 2.998 10.749 -9.520 1.00 0.00 C ATOM 0 H ALA A 97 2.762 11.434 -6.802 1.00 0.00 H new ATOM 0 HA ALA A 97 4.407 9.572 -8.444 1.00 0.00 H new ATOM 0 HB1 ALA A 97 3.601 10.757 -10.428 1.00 0.00 H new ATOM 0 HB2 ALA A 97 2.266 9.943 -9.577 1.00 0.00 H new ATOM 0 HB3 ALA A 97 2.480 11.703 -9.420 1.00 0.00 H new ATOM 1493 N ARG A 98 6.217 11.147 -8.012 1.00 0.00 N ATOM 1494 CA ARG A 98 7.343 12.055 -7.881 1.00 0.00 C ATOM 1495 C ARG A 98 7.778 12.563 -9.257 1.00 0.00 C ATOM 1496 O ARG A 98 7.219 12.161 -10.276 1.00 0.00 O ATOM 1497 CB ARG A 98 8.529 11.368 -7.201 1.00 0.00 C ATOM 1498 CG ARG A 98 9.194 12.299 -6.186 1.00 0.00 C ATOM 1499 CD ARG A 98 9.206 11.671 -4.791 1.00 0.00 C ATOM 1500 NE ARG A 98 9.290 12.729 -3.759 1.00 0.00 N ATOM 1501 CZ ARG A 98 8.265 13.515 -3.405 1.00 0.00 C ATOM 1502 NH1 ARG A 98 7.072 13.368 -3.997 1.00 0.00 N ATOM 1503 NH2 ARG A 98 8.433 14.450 -2.459 1.00 0.00 N ATOM 0 H ARG A 98 6.459 10.158 -7.959 1.00 0.00 H new ATOM 0 HA ARG A 98 7.022 12.894 -7.264 1.00 0.00 H new ATOM 0 HB2 ARG A 98 8.190 10.461 -6.700 1.00 0.00 H new ATOM 0 HB3 ARG A 98 9.257 11.064 -7.953 1.00 0.00 H new ATOM 0 HG2 ARG A 98 10.215 12.515 -6.500 1.00 0.00 H new ATOM 0 HG3 ARG A 98 8.662 13.250 -6.156 1.00 0.00 H new ATOM 0 HD2 ARG A 98 8.304 11.078 -4.643 1.00 0.00 H new ATOM 0 HD3 ARG A 98 10.053 10.992 -4.697 1.00 0.00 H new ATOM 0 HE ARG A 98 10.184 12.868 -3.288 1.00 0.00 H new ATOM 0 HH11 ARG A 98 6.944 12.657 -4.717 1.00 0.00 H new ATOM 0 HH12 ARG A 98 6.292 13.967 -3.727 1.00 0.00 H new ATOM 0 HH21 ARG A 98 9.341 14.563 -2.009 1.00 0.00 H new ATOM 0 HH22 ARG A 98 7.652 15.049 -2.189 1.00 0.00 H new ATOM 1517 N GLU A 99 8.772 13.439 -9.242 1.00 0.00 N ATOM 1518 CA GLU A 99 9.288 14.006 -10.477 1.00 0.00 C ATOM 1519 C GLU A 99 10.541 14.838 -10.195 1.00 0.00 C ATOM 1520 O GLU A 99 11.595 14.598 -10.783 1.00 0.00 O ATOM 1521 CB GLU A 99 8.221 14.844 -11.183 1.00 0.00 C ATOM 1522 CG GLU A 99 8.295 14.660 -12.700 1.00 0.00 C ATOM 1523 CD GLU A 99 7.064 13.916 -13.223 1.00 0.00 C ATOM 1524 OE1 GLU A 99 6.488 13.143 -12.428 1.00 0.00 O ATOM 1525 OE2 GLU A 99 6.728 14.138 -14.406 1.00 0.00 O ATOM 0 H GLU A 99 9.234 13.770 -8.395 1.00 0.00 H new ATOM 0 HA GLU A 99 9.561 13.188 -11.144 1.00 0.00 H new ATOM 0 HB2 GLU A 99 7.232 14.556 -10.826 1.00 0.00 H new ATOM 0 HB3 GLU A 99 8.356 15.896 -10.934 1.00 0.00 H new ATOM 0 HG2 GLU A 99 8.369 15.633 -13.185 1.00 0.00 H new ATOM 0 HG3 GLU A 99 9.197 14.105 -12.959 1.00 0.00 H new ATOM 1532 N THR A 100 10.385 15.799 -9.296 1.00 0.00 N ATOM 1533 CA THR A 100 11.490 16.668 -8.930 1.00 0.00 C ATOM 1534 C THR A 100 12.277 16.067 -7.763 1.00 0.00 C ATOM 1535 O THR A 100 12.122 14.889 -7.447 1.00 0.00 O ATOM 1536 CB THR A 100 10.921 18.056 -8.629 1.00 0.00 C ATOM 1537 OG1 THR A 100 10.243 17.891 -7.386 1.00 0.00 O ATOM 1538 CG2 THR A 100 9.815 18.460 -9.606 1.00 0.00 C ATOM 0 H THR A 100 9.510 15.995 -8.810 1.00 0.00 H new ATOM 0 HA THR A 100 12.205 16.765 -9.747 1.00 0.00 H new ATOM 0 HB THR A 100 11.724 18.793 -8.665 1.00 0.00 H new ATOM 0 HG1 THR A 100 9.845 18.744 -7.115 1.00 0.00 H new ATOM 0 HG21 THR A 100 9.446 19.453 -9.348 1.00 0.00 H new ATOM 0 HG22 THR A 100 10.213 18.473 -10.621 1.00 0.00 H new ATOM 0 HG23 THR A 100 8.997 17.742 -9.547 1.00 0.00 H new ATOM 1546 N LEU A 101 13.103 16.905 -7.154 1.00 0.00 N ATOM 1547 CA LEU A 101 13.914 16.472 -6.029 1.00 0.00 C ATOM 1548 C LEU A 101 13.004 15.896 -4.942 1.00 0.00 C ATOM 1549 O LEU A 101 11.828 16.249 -4.861 1.00 0.00 O ATOM 1550 CB LEU A 101 14.808 17.614 -5.542 1.00 0.00 C ATOM 1551 CG LEU A 101 15.663 18.299 -6.610 1.00 0.00 C ATOM 1552 CD1 LEU A 101 15.697 19.813 -6.396 1.00 0.00 C ATOM 1553 CD2 LEU A 101 17.068 17.695 -6.657 1.00 0.00 C ATOM 0 H LEU A 101 13.228 17.882 -7.419 1.00 0.00 H new ATOM 0 HA LEU A 101 14.592 15.675 -6.333 1.00 0.00 H new ATOM 0 HB2 LEU A 101 14.177 18.368 -5.072 1.00 0.00 H new ATOM 0 HB3 LEU A 101 15.471 17.226 -4.769 1.00 0.00 H new ATOM 0 HG LEU A 101 15.203 18.121 -7.582 1.00 0.00 H new ATOM 0 HD11 LEU A 101 16.311 20.276 -7.168 1.00 0.00 H new ATOM 0 HD12 LEU A 101 14.684 20.211 -6.451 1.00 0.00 H new ATOM 0 HD13 LEU A 101 16.120 20.032 -5.416 1.00 0.00 H new ATOM 0 HD21 LEU A 101 17.655 18.199 -7.424 1.00 0.00 H new ATOM 0 HD22 LEU A 101 17.551 17.822 -5.688 1.00 0.00 H new ATOM 0 HD23 LEU A 101 17.000 16.633 -6.892 1.00 0.00 H new ATOM 1565 N PRO A 102 13.597 14.996 -4.113 1.00 0.00 N ATOM 1566 CA PRO A 102 12.853 14.368 -3.035 1.00 0.00 C ATOM 1567 C PRO A 102 12.637 15.344 -1.877 1.00 0.00 C ATOM 1568 O PRO A 102 11.542 15.423 -1.322 1.00 0.00 O ATOM 1569 CB PRO A 102 13.679 13.154 -2.642 1.00 0.00 C ATOM 1570 CG PRO A 102 15.075 13.404 -3.190 1.00 0.00 C ATOM 1571 CD PRO A 102 14.987 14.554 -4.180 1.00 0.00 C ATOM 0 HA PRO A 102 11.849 14.070 -3.335 1.00 0.00 H new ATOM 0 HB2 PRO A 102 13.701 13.030 -1.559 1.00 0.00 H new ATOM 0 HB3 PRO A 102 13.254 12.241 -3.058 1.00 0.00 H new ATOM 0 HG2 PRO A 102 15.765 13.648 -2.382 1.00 0.00 H new ATOM 0 HG3 PRO A 102 15.460 12.509 -3.678 1.00 0.00 H new ATOM 0 HD2 PRO A 102 15.672 15.359 -3.913 1.00 0.00 H new ATOM 0 HD3 PRO A 102 15.252 14.231 -5.187 1.00 0.00 H new ATOM 1579 N GLU A 103 13.699 16.064 -1.546 1.00 0.00 N ATOM 1580 CA GLU A 103 13.639 17.032 -0.464 1.00 0.00 C ATOM 1581 C GLU A 103 14.448 18.281 -0.823 1.00 0.00 C ATOM 1582 O GLU A 103 15.398 18.206 -1.600 1.00 0.00 O ATOM 1583 CB GLU A 103 14.131 16.419 0.849 1.00 0.00 C ATOM 1584 CG GLU A 103 15.659 16.458 0.933 1.00 0.00 C ATOM 1585 CD GLU A 103 16.217 15.111 1.396 1.00 0.00 C ATOM 1586 OE1 GLU A 103 15.611 14.085 1.017 1.00 0.00 O ATOM 1587 OE2 GLU A 103 17.237 15.137 2.118 1.00 0.00 O ATOM 0 H GLU A 103 14.606 15.996 -2.008 1.00 0.00 H new ATOM 0 HA GLU A 103 12.599 17.325 -0.323 1.00 0.00 H new ATOM 0 HB2 GLU A 103 13.703 16.962 1.691 1.00 0.00 H new ATOM 0 HB3 GLU A 103 13.785 15.388 0.926 1.00 0.00 H new ATOM 0 HG2 GLU A 103 16.074 16.712 -0.042 1.00 0.00 H new ATOM 0 HG3 GLU A 103 15.969 17.241 1.625 1.00 0.00 H new ATOM 1594 N PRO A 104 14.029 19.428 -0.225 1.00 0.00 N ATOM 1595 CA PRO A 104 14.704 20.691 -0.474 1.00 0.00 C ATOM 1596 C PRO A 104 16.042 20.752 0.266 1.00 0.00 C ATOM 1597 O PRO A 104 16.309 21.706 0.995 1.00 0.00 O ATOM 1598 CB PRO A 104 13.723 21.758 -0.016 1.00 0.00 C ATOM 1599 CG PRO A 104 12.734 21.051 0.896 1.00 0.00 C ATOM 1600 CD PRO A 104 12.907 19.554 0.701 1.00 0.00 C ATOM 0 HA PRO A 104 14.962 20.831 -1.524 1.00 0.00 H new ATOM 0 HB2 PRO A 104 14.237 22.560 0.513 1.00 0.00 H new ATOM 0 HB3 PRO A 104 13.214 22.212 -0.867 1.00 0.00 H new ATOM 0 HG2 PRO A 104 12.912 21.323 1.936 1.00 0.00 H new ATOM 0 HG3 PRO A 104 11.714 21.351 0.658 1.00 0.00 H new ATOM 0 HD2 PRO A 104 13.116 19.053 1.646 1.00 0.00 H new ATOM 0 HD3 PRO A 104 12.004 19.101 0.293 1.00 0.00 H new ATOM 1608 N ASN A 105 16.848 19.723 0.051 1.00 0.00 N ATOM 1609 CA ASN A 105 18.152 19.648 0.688 1.00 0.00 C ATOM 1610 C ASN A 105 18.895 18.413 0.175 1.00 0.00 C ATOM 1611 O ASN A 105 18.488 17.283 0.442 1.00 0.00 O ATOM 1612 CB ASN A 105 18.017 19.521 2.207 1.00 0.00 C ATOM 1613 CG ASN A 105 18.015 20.898 2.874 1.00 0.00 C ATOM 1614 OD1 ASN A 105 18.350 21.907 2.275 1.00 0.00 O ATOM 1615 ND2 ASN A 105 17.621 20.883 4.144 1.00 0.00 N ATOM 0 H ASN A 105 16.623 18.934 -0.555 1.00 0.00 H new ATOM 0 HA ASN A 105 18.697 20.562 0.449 1.00 0.00 H new ATOM 0 HB2 ASN A 105 17.095 18.993 2.451 1.00 0.00 H new ATOM 0 HB3 ASN A 105 18.840 18.924 2.600 1.00 0.00 H new ATOM 0 HD21 ASN A 105 17.586 21.752 4.677 1.00 0.00 H new ATOM 0 HD22 ASN A 105 17.354 20.003 4.585 1.00 0.00 H new ATOM 1622 N SER A 106 19.972 18.670 -0.553 1.00 0.00 N ATOM 1623 CA SER A 106 20.776 17.593 -1.106 1.00 0.00 C ATOM 1624 C SER A 106 22.038 17.396 -0.263 1.00 0.00 C ATOM 1625 O SER A 106 23.111 17.878 -0.623 1.00 0.00 O ATOM 1626 CB SER A 106 21.149 17.876 -2.562 1.00 0.00 C ATOM 1627 OG SER A 106 20.035 17.727 -3.438 1.00 0.00 O ATOM 0 H SER A 106 20.307 19.608 -0.773 1.00 0.00 H new ATOM 0 HA SER A 106 20.185 16.678 -1.082 1.00 0.00 H new ATOM 0 HB2 SER A 106 21.542 18.889 -2.645 1.00 0.00 H new ATOM 0 HB3 SER A 106 21.945 17.199 -2.870 1.00 0.00 H new ATOM 0 HG SER A 106 20.314 17.918 -4.358 1.00 0.00 H new ATOM 1633 N GLN A 107 21.867 16.687 0.843 1.00 0.00 N ATOM 1634 CA GLN A 107 22.979 16.420 1.740 1.00 0.00 C ATOM 1635 C GLN A 107 23.081 14.921 2.028 1.00 0.00 C ATOM 1636 O GLN A 107 22.089 14.284 2.380 1.00 0.00 O ATOM 1637 CB GLN A 107 22.841 17.219 3.037 1.00 0.00 C ATOM 1638 CG GLN A 107 24.161 17.901 3.404 1.00 0.00 C ATOM 1639 CD GLN A 107 23.920 19.113 4.305 1.00 0.00 C ATOM 1640 OE1 GLN A 107 22.835 19.331 4.819 1.00 0.00 O ATOM 1641 NE2 GLN A 107 24.989 19.887 4.468 1.00 0.00 N ATOM 0 H GLN A 107 20.975 16.289 1.139 1.00 0.00 H new ATOM 0 HA GLN A 107 23.899 16.739 1.251 1.00 0.00 H new ATOM 0 HB2 GLN A 107 22.059 17.970 2.924 1.00 0.00 H new ATOM 0 HB3 GLN A 107 22.533 16.556 3.846 1.00 0.00 H new ATOM 0 HG2 GLN A 107 24.813 17.190 3.912 1.00 0.00 H new ATOM 0 HG3 GLN A 107 24.677 18.215 2.497 1.00 0.00 H new ATOM 0 HE21 GLN A 107 25.867 19.647 4.009 1.00 0.00 H new ATOM 0 HE22 GLN A 107 24.930 20.721 5.052 1.00 0.00 H new ATOM 1650 N GLY A 108 24.288 14.400 1.867 1.00 0.00 N ATOM 1651 CA GLY A 108 24.533 12.988 2.106 1.00 0.00 C ATOM 1652 C GLY A 108 24.276 12.627 3.570 1.00 0.00 C ATOM 1653 O GLY A 108 24.320 13.492 4.443 1.00 0.00 O ATOM 0 H GLY A 108 25.108 14.931 1.574 1.00 0.00 H new ATOM 0 HA2 GLY A 108 23.889 12.389 1.462 1.00 0.00 H new ATOM 0 HA3 GLY A 108 25.562 12.744 1.843 1.00 0.00 H new ATOM 1657 N GLN A 109 24.014 11.347 3.794 1.00 0.00 N ATOM 1658 CA GLN A 109 23.751 10.861 5.138 1.00 0.00 C ATOM 1659 C GLN A 109 24.903 11.235 6.073 1.00 0.00 C ATOM 1660 O GLN A 109 26.066 10.981 5.763 1.00 0.00 O ATOM 1661 CB GLN A 109 23.514 9.350 5.137 1.00 0.00 C ATOM 1662 CG GLN A 109 22.152 9.008 5.746 1.00 0.00 C ATOM 1663 CD GLN A 109 21.675 7.629 5.284 1.00 0.00 C ATOM 1664 OE1 GLN A 109 22.363 6.911 4.577 1.00 0.00 O ATOM 1665 NE2 GLN A 109 20.463 7.302 5.722 1.00 0.00 N ATOM 0 H GLN A 109 23.978 10.632 3.067 1.00 0.00 H new ATOM 0 HA GLN A 109 22.842 11.338 5.505 1.00 0.00 H new ATOM 0 HB2 GLN A 109 23.565 8.971 4.116 1.00 0.00 H new ATOM 0 HB3 GLN A 109 24.304 8.854 5.701 1.00 0.00 H new ATOM 0 HG2 GLN A 109 22.221 9.027 6.834 1.00 0.00 H new ATOM 0 HG3 GLN A 109 21.421 9.764 5.459 1.00 0.00 H new ATOM 0 HE21 GLN A 109 19.941 7.951 6.311 1.00 0.00 H new ATOM 0 HE22 GLN A 109 20.055 6.402 5.469 1.00 0.00 H new ATOM 1674 N ARG A 110 24.539 11.833 7.198 1.00 0.00 N ATOM 1675 CA ARG A 110 25.527 12.244 8.180 1.00 0.00 C ATOM 1676 C ARG A 110 24.863 12.471 9.539 1.00 0.00 C ATOM 1677 O ARG A 110 23.736 12.961 9.609 1.00 0.00 O ATOM 1678 CB ARG A 110 26.235 13.529 7.745 1.00 0.00 C ATOM 1679 CG ARG A 110 27.657 13.589 8.305 1.00 0.00 C ATOM 1680 CD ARG A 110 27.710 14.440 9.575 1.00 0.00 C ATOM 1681 NE ARG A 110 29.117 14.736 9.928 1.00 0.00 N ATOM 1682 CZ ARG A 110 29.904 15.573 9.239 1.00 0.00 C ATOM 1683 NH1 ARG A 110 29.428 16.203 8.156 1.00 0.00 N ATOM 1684 NH2 ARG A 110 31.168 15.781 9.632 1.00 0.00 N ATOM 0 H ARG A 110 23.573 12.043 7.451 1.00 0.00 H new ATOM 0 HA ARG A 110 26.265 11.446 8.261 1.00 0.00 H new ATOM 0 HB2 ARG A 110 26.267 13.580 6.657 1.00 0.00 H new ATOM 0 HB3 ARG A 110 25.668 14.395 8.088 1.00 0.00 H new ATOM 0 HG2 ARG A 110 28.009 12.581 8.524 1.00 0.00 H new ATOM 0 HG3 ARG A 110 28.330 14.006 7.555 1.00 0.00 H new ATOM 0 HD2 ARG A 110 27.161 15.369 9.423 1.00 0.00 H new ATOM 0 HD3 ARG A 110 27.224 13.913 10.396 1.00 0.00 H new ATOM 0 HE ARG A 110 29.512 14.274 10.747 1.00 0.00 H new ATOM 0 HH11 ARG A 110 28.466 16.045 7.856 1.00 0.00 H new ATOM 0 HH12 ARG A 110 30.028 16.840 7.632 1.00 0.00 H new ATOM 0 HH21 ARG A 110 31.531 15.302 10.456 1.00 0.00 H new ATOM 0 HH22 ARG A 110 31.767 16.418 9.107 1.00 0.00 H new ATOM 1698 N SER A 111 25.588 12.105 10.586 1.00 0.00 N ATOM 1699 CA SER A 111 25.083 12.262 11.939 1.00 0.00 C ATOM 1700 C SER A 111 23.981 11.235 12.209 1.00 0.00 C ATOM 1701 O SER A 111 22.916 11.286 11.595 1.00 0.00 O ATOM 1702 CB SER A 111 24.555 13.680 12.168 1.00 0.00 C ATOM 1703 OG SER A 111 25.278 14.360 13.190 1.00 0.00 O ATOM 0 H SER A 111 26.522 11.700 10.524 1.00 0.00 H new ATOM 0 HA SER A 111 25.906 12.093 12.633 1.00 0.00 H new ATOM 0 HB2 SER A 111 24.622 14.246 11.239 1.00 0.00 H new ATOM 0 HB3 SER A 111 23.500 13.635 12.439 1.00 0.00 H new ATOM 0 HG SER A 111 24.912 15.262 13.305 1.00 0.00 H new ATOM 1709 N GLY A 112 24.274 10.328 13.128 1.00 0.00 N ATOM 1710 CA GLY A 112 23.322 9.291 13.487 1.00 0.00 C ATOM 1711 C GLY A 112 23.917 8.334 14.522 1.00 0.00 C ATOM 1712 O GLY A 112 24.588 7.366 14.165 1.00 0.00 O ATOM 0 H GLY A 112 25.158 10.289 13.635 1.00 0.00 H new ATOM 0 HA2 GLY A 112 22.416 9.747 13.887 1.00 0.00 H new ATOM 0 HA3 GLY A 112 23.032 8.734 12.596 1.00 0.00 H new ATOM 1716 N PRO A 113 23.643 8.645 15.817 1.00 0.00 N ATOM 1717 CA PRO A 113 24.144 7.824 16.906 1.00 0.00 C ATOM 1718 C PRO A 113 23.354 6.519 17.017 1.00 0.00 C ATOM 1719 O PRO A 113 22.272 6.393 16.445 1.00 0.00 O ATOM 1720 CB PRO A 113 24.025 8.698 18.144 1.00 0.00 C ATOM 1721 CG PRO A 113 23.037 9.796 17.786 1.00 0.00 C ATOM 1722 CD PRO A 113 22.853 9.783 16.277 1.00 0.00 C ATOM 0 HA PRO A 113 25.176 7.509 16.755 1.00 0.00 H new ATOM 0 HB2 PRO A 113 23.673 8.119 18.998 1.00 0.00 H new ATOM 0 HB3 PRO A 113 24.992 9.118 18.420 1.00 0.00 H new ATOM 0 HG2 PRO A 113 22.084 9.631 18.288 1.00 0.00 H new ATOM 0 HG3 PRO A 113 23.408 10.766 18.117 1.00 0.00 H new ATOM 0 HD2 PRO A 113 21.803 9.671 16.007 1.00 0.00 H new ATOM 0 HD3 PRO A 113 23.200 10.713 15.828 1.00 0.00 H new ATOM 1730 N SER A 114 23.925 5.580 17.757 1.00 0.00 N ATOM 1731 CA SER A 114 23.287 4.288 17.950 1.00 0.00 C ATOM 1732 C SER A 114 23.909 3.572 19.151 1.00 0.00 C ATOM 1733 O SER A 114 25.072 3.799 19.480 1.00 0.00 O ATOM 1734 CB SER A 114 23.408 3.421 16.695 1.00 0.00 C ATOM 1735 OG SER A 114 22.452 2.365 16.682 1.00 0.00 O ATOM 0 H SER A 114 24.822 5.688 18.230 1.00 0.00 H new ATOM 0 HA SER A 114 22.227 4.455 18.143 1.00 0.00 H new ATOM 0 HB2 SER A 114 23.273 4.043 15.810 1.00 0.00 H new ATOM 0 HB3 SER A 114 24.412 3.001 16.640 1.00 0.00 H new ATOM 0 HG SER A 114 22.560 1.836 15.864 1.00 0.00 H new ATOM 1741 N SER A 115 23.105 2.722 19.773 1.00 0.00 N ATOM 1742 CA SER A 115 23.562 1.971 20.930 1.00 0.00 C ATOM 1743 C SER A 115 24.541 0.880 20.493 1.00 0.00 C ATOM 1744 O SER A 115 24.127 -0.177 20.020 1.00 0.00 O ATOM 1745 CB SER A 115 22.383 1.355 21.686 1.00 0.00 C ATOM 1746 OG SER A 115 22.085 2.068 22.884 1.00 0.00 O ATOM 0 H SER A 115 22.140 2.537 19.498 1.00 0.00 H new ATOM 0 HA SER A 115 24.073 2.658 21.604 1.00 0.00 H new ATOM 0 HB2 SER A 115 21.504 1.346 21.041 1.00 0.00 H new ATOM 0 HB3 SER A 115 22.611 0.317 21.929 1.00 0.00 H new ATOM 0 HG SER A 115 21.326 1.645 23.336 1.00 0.00 H new ATOM 1752 N GLY A 116 25.821 1.175 20.667 1.00 0.00 N ATOM 1753 CA GLY A 116 26.863 0.232 20.297 1.00 0.00 C ATOM 1754 C GLY A 116 27.138 0.281 18.792 1.00 0.00 C ATOM 1755 O GLY A 116 27.735 -0.639 18.236 1.00 0.00 O ATOM 0 H GLY A 116 26.160 2.053 21.059 1.00 0.00 H new ATOM 0 HA2 GLY A 116 27.777 0.461 20.845 1.00 0.00 H new ATOM 0 HA3 GLY A 116 26.564 -0.776 20.583 1.00 0.00 H new TER 1759 GLY A 116