USER MOD reduce.3.24.130724 H: found=0, std=0, add=1082, rem=0, adj=40 USER MOD reduce.3.24.130724 removed 1076 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 44 TYR OH : rot 77:sc= 0.697 USER MOD Set 1.2: A 119 SER OG : rot 81:sc= 1.21 USER MOD Set 2.1: A 85 GLN : amide:sc= -0.551 X(o=-7.9,f=-7.7) USER MOD Set 2.2: A 88 CYS SG : rot -140:sc= -7.39! USER MOD Set 3.1: A 71 THR OG1 : rot -79:sc= 0.161 USER MOD Set 3.2: A 73 HIS :FLIP no HD1:sc= -10.2! C(o=-41!,f=-39!) USER MOD Set 3.3: A 75 HIS : no HE2:sc= -28.5! C(o=-39!,f=-45!) USER MOD Set 4.1: A 57 SER OG : rot 13:sc= -0.703! USER MOD Set 4.2: A 59 HIS : no HD1:sc= -4.5! C(o=-5.2!,f=-10!) USER MOD Set 5.1: A 34 TYR OH : rot 130:sc= -4.05! USER MOD Set 5.2: A 64 HIS :FLIP no HE2:sc= -16! C(o=-21!,f=-20!) USER MOD Set 6.1: A 19 SER OG : rot -116:sc= -2.48! USER MOD Set 6.2: A 99 ASN : amide:sc= 0.516 K(o=-2,f=-11!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 LYS NZ :NH3+ -110:sc= -0.615 (180deg=-1.7) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 180:sc= -0.0136 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 20 HIS : no HD1:sc= -0.233 X(o=-0.23,f=-0.24) USER MOD Single : A 24 SER OG : rot 180:sc= -0.834 USER MOD Single : A 25 ASN : amide:sc= -3.19! C(o=-3.2!,f=-11!) USER MOD Single : A 27 THR OG1 : rot -140:sc= -0.89 USER MOD Single : A 30 CYS SG : rot -20:sc= -9.3! USER MOD Single : A 35 THR OG1 : rot -120:sc= -3.17! USER MOD Single : A 36 THR OG1 : rot -90:sc= -0.475 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ -178:sc= 2.47 (180deg=2.44) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 MET CE :methyl -102:sc= -11.2! (180deg=-15!) USER MOD Single : A 50 LYS NZ :NH3+ -136:sc= -2.32 (180deg=-4.42!) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 180:sc= -1.03! USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -6.04! C(o=-6!,f=-14!) USER MOD Single : A 61 SER OG : rot 73:sc= -2.26! USER MOD Single : A 62 TYR OH : rot 25:sc= -3.58! USER MOD Single : A 63 ASN : amide:sc= -2.9! C(o=-2.9!,f=-4.8!) USER MOD Single : A 65 ASN : amide:sc= -14.6! C(o=-15!,f=-16!) USER MOD Single : A 78 SER OG : rot 59:sc= -0.033 USER MOD Single : A 81 ASN : amide:sc= -0.351 X(o=-0.35,f=-0.18) USER MOD Single : A 82 ASN : amide:sc= -0.0179 K(o=-0.018,f=-1.9!) USER MOD Single : A 83 TYR OH : rot -30:sc= -3.59! USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0.199 USER MOD Single : A 91 SER OG : rot -133:sc= -0.619! USER MOD Single : A 95 CYS SG : rot 180:sc= -1.67 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 104 MET CE :methyl -138:sc= -3.58 (180deg=-8.94!) USER MOD Single : A 105 TYR OH : rot 133:sc= 0.745 USER MOD Single : A 106 SER OG : rot 169:sc= 0.656 USER MOD Single : A 109 THR OG1 : rot -41:sc= 0.607 USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 125 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 HIS : no HD1:sc= -3.8! C(o=-3.8!,f=-8!) USER MOD Single : A 130 ASN : amide:sc= -0.409 K(o=-0.41,f=-3.3!) USER MOD Single : A 133 SER OG : rot 180:sc= 0 USER MOD Single : A 134 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 115.324 -14.863 20.839 1.00 0.00 N ATOM 2 CA GLY A 1 114.928 -14.330 22.215 1.00 0.00 C ATOM 3 C GLY A 1 114.995 -12.865 22.480 1.00 0.00 C ATOM 4 O GLY A 1 114.972 -12.059 21.572 1.00 0.00 O ATOM 0 H1 GLY A 1 115.220 -15.898 20.824 1.00 0.00 H new ATOM 0 H2 GLY A 1 114.708 -14.443 20.114 1.00 0.00 H new ATOM 0 H3 GLY A 1 116.314 -14.612 20.641 1.00 0.00 H new ATOM 0 HA2 GLY A 1 113.904 -14.651 22.407 1.00 0.00 H new ATOM 0 HA3 GLY A 1 115.561 -14.825 22.952 1.00 0.00 H new ATOM 10 N SER A 2 115.077 -12.481 23.725 1.00 0.00 N ATOM 11 CA SER A 2 115.147 -11.030 24.055 1.00 0.00 C ATOM 12 C SER A 2 113.843 -10.347 23.636 1.00 0.00 C ATOM 13 O SER A 2 113.820 -9.175 23.314 1.00 0.00 O ATOM 14 CB SER A 2 116.321 -10.393 23.311 1.00 0.00 C ATOM 15 OG SER A 2 117.453 -10.351 24.170 1.00 0.00 O ATOM 0 H SER A 2 115.099 -13.110 24.528 1.00 0.00 H new ATOM 0 HA SER A 2 115.290 -10.908 25.129 1.00 0.00 H new ATOM 0 HB2 SER A 2 116.552 -10.967 22.413 1.00 0.00 H new ATOM 0 HB3 SER A 2 116.058 -9.386 22.987 1.00 0.00 H new ATOM 0 HG SER A 2 118.208 -9.945 23.696 1.00 0.00 H new ATOM 21 N LYS A 3 112.757 -11.070 23.638 1.00 0.00 N ATOM 22 CA LYS A 3 111.455 -10.464 23.243 1.00 0.00 C ATOM 23 C LYS A 3 111.648 -9.602 21.993 1.00 0.00 C ATOM 24 O LYS A 3 111.755 -8.394 22.070 1.00 0.00 O ATOM 25 CB LYS A 3 110.930 -9.595 24.387 1.00 0.00 C ATOM 26 CG LYS A 3 110.010 -10.429 25.281 1.00 0.00 C ATOM 27 CD LYS A 3 110.388 -10.213 26.748 1.00 0.00 C ATOM 28 CE LYS A 3 111.517 -11.170 27.132 1.00 0.00 C ATOM 29 NZ LYS A 3 112.832 -10.507 26.901 1.00 0.00 N ATOM 0 H LYS A 3 112.715 -12.056 23.897 1.00 0.00 H new ATOM 0 HA LYS A 3 110.737 -11.256 23.028 1.00 0.00 H new ATOM 0 HB2 LYS A 3 111.762 -9.201 24.970 1.00 0.00 H new ATOM 0 HB3 LYS A 3 110.387 -8.738 23.988 1.00 0.00 H new ATOM 0 HG2 LYS A 3 108.971 -10.144 25.117 1.00 0.00 H new ATOM 0 HG3 LYS A 3 110.096 -11.485 25.024 1.00 0.00 H new ATOM 0 HD2 LYS A 3 110.703 -9.181 26.905 1.00 0.00 H new ATOM 0 HD3 LYS A 3 109.521 -10.382 27.386 1.00 0.00 H new ATOM 0 HE2 LYS A 3 111.423 -11.459 28.179 1.00 0.00 H new ATOM 0 HE3 LYS A 3 111.450 -12.084 26.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 113.310 -10.956 26.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 112.681 -9.499 26.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 113.423 -10.603 27.751 1.00 0.00 H new ATOM 43 N VAL A 4 111.695 -10.215 20.841 1.00 0.00 N ATOM 44 CA VAL A 4 111.882 -9.436 19.588 1.00 0.00 C ATOM 45 C VAL A 4 110.933 -8.235 19.579 1.00 0.00 C ATOM 46 O VAL A 4 109.756 -8.365 19.309 1.00 0.00 O ATOM 47 CB VAL A 4 111.580 -10.328 18.382 1.00 0.00 C ATOM 48 CG1 VAL A 4 111.617 -9.487 17.106 1.00 0.00 C ATOM 49 CG2 VAL A 4 112.630 -11.438 18.292 1.00 0.00 C ATOM 0 H VAL A 4 111.612 -11.224 20.716 1.00 0.00 H new ATOM 0 HA VAL A 4 112.912 -9.084 19.535 1.00 0.00 H new ATOM 0 HB VAL A 4 110.591 -10.772 18.497 1.00 0.00 H new ATOM 0 HG11 VAL A 4 111.402 -10.121 16.246 1.00 0.00 H new ATOM 0 HG12 VAL A 4 110.870 -8.696 17.170 1.00 0.00 H new ATOM 0 HG13 VAL A 4 112.606 -9.043 16.991 1.00 0.00 H new ATOM 0 HG21 VAL A 4 112.415 -12.073 17.433 1.00 0.00 H new ATOM 0 HG22 VAL A 4 113.619 -10.995 18.177 1.00 0.00 H new ATOM 0 HG23 VAL A 4 112.605 -12.037 19.202 1.00 0.00 H new ATOM 59 N GLU A 5 111.435 -7.064 19.867 1.00 0.00 N ATOM 60 CA GLU A 5 110.558 -5.859 19.867 1.00 0.00 C ATOM 61 C GLU A 5 110.141 -5.538 18.431 1.00 0.00 C ATOM 62 O GLU A 5 110.966 -5.423 17.546 1.00 0.00 O ATOM 63 CB GLU A 5 111.321 -4.670 20.455 1.00 0.00 C ATOM 64 CG GLU A 5 110.327 -3.667 21.042 1.00 0.00 C ATOM 65 CD GLU A 5 111.076 -2.414 21.502 1.00 0.00 C ATOM 66 OE1 GLU A 5 111.917 -1.944 20.754 1.00 0.00 O ATOM 67 OE2 GLU A 5 110.794 -1.947 22.592 1.00 0.00 O ATOM 0 H GLU A 5 112.412 -6.891 20.102 1.00 0.00 H new ATOM 0 HA GLU A 5 109.672 -6.053 20.471 1.00 0.00 H new ATOM 0 HB2 GLU A 5 112.009 -5.012 21.228 1.00 0.00 H new ATOM 0 HB3 GLU A 5 111.923 -4.192 19.682 1.00 0.00 H new ATOM 0 HG2 GLU A 5 109.578 -3.402 20.296 1.00 0.00 H new ATOM 0 HG3 GLU A 5 109.796 -4.115 21.882 1.00 0.00 H new ATOM 74 N ASP A 6 108.865 -5.400 18.189 1.00 0.00 N ATOM 75 CA ASP A 6 108.400 -5.094 16.806 1.00 0.00 C ATOM 76 C ASP A 6 108.332 -3.573 16.606 1.00 0.00 C ATOM 77 O ASP A 6 107.849 -2.862 17.463 1.00 0.00 O ATOM 78 CB ASP A 6 107.010 -5.698 16.594 1.00 0.00 C ATOM 79 CG ASP A 6 107.133 -7.001 15.801 1.00 0.00 C ATOM 80 OD1 ASP A 6 108.151 -7.184 15.155 1.00 0.00 O ATOM 81 OD2 ASP A 6 106.207 -7.793 15.854 1.00 0.00 O ATOM 0 H ASP A 6 108.127 -5.486 18.887 1.00 0.00 H new ATOM 0 HA ASP A 6 109.099 -5.520 16.087 1.00 0.00 H new ATOM 0 HB2 ASP A 6 106.535 -5.889 17.556 1.00 0.00 H new ATOM 0 HB3 ASP A 6 106.374 -4.993 16.059 1.00 0.00 H new ATOM 86 N PRO A 7 108.811 -3.121 15.472 1.00 0.00 N ATOM 87 CA PRO A 7 108.812 -1.691 15.122 1.00 0.00 C ATOM 88 C PRO A 7 107.422 -1.271 14.643 1.00 0.00 C ATOM 89 O PRO A 7 106.866 -1.851 13.730 1.00 0.00 O ATOM 90 CB PRO A 7 109.837 -1.598 13.990 1.00 0.00 C ATOM 91 CG PRO A 7 109.938 -3.014 13.376 1.00 0.00 C ATOM 92 CD PRO A 7 109.398 -3.993 14.436 1.00 0.00 C ATOM 0 HA PRO A 7 109.058 -1.038 15.959 1.00 0.00 H new ATOM 0 HB2 PRO A 7 109.523 -0.871 13.241 1.00 0.00 H new ATOM 0 HB3 PRO A 7 110.805 -1.269 14.368 1.00 0.00 H new ATOM 0 HG2 PRO A 7 109.357 -3.080 12.456 1.00 0.00 H new ATOM 0 HG3 PRO A 7 110.970 -3.252 13.119 1.00 0.00 H new ATOM 0 HD2 PRO A 7 108.652 -4.666 14.013 1.00 0.00 H new ATOM 0 HD3 PRO A 7 110.194 -4.616 14.844 1.00 0.00 H new ATOM 100 N LYS A 8 106.849 -0.276 15.260 1.00 0.00 N ATOM 101 CA LYS A 8 105.489 0.173 14.851 1.00 0.00 C ATOM 102 C LYS A 8 105.586 1.099 13.637 1.00 0.00 C ATOM 103 O LYS A 8 104.590 1.445 13.033 1.00 0.00 O ATOM 104 CB LYS A 8 104.835 0.924 16.010 1.00 0.00 C ATOM 105 CG LYS A 8 103.354 0.555 16.086 1.00 0.00 C ATOM 106 CD LYS A 8 102.742 1.161 17.349 1.00 0.00 C ATOM 107 CE LYS A 8 101.433 0.441 17.678 1.00 0.00 C ATOM 108 NZ LYS A 8 100.582 1.318 18.531 1.00 0.00 N ATOM 0 H LYS A 8 107.264 0.247 16.031 1.00 0.00 H new ATOM 0 HA LYS A 8 104.888 -0.698 14.589 1.00 0.00 H new ATOM 0 HB2 LYS A 8 105.332 0.672 16.947 1.00 0.00 H new ATOM 0 HB3 LYS A 8 104.946 1.999 15.869 1.00 0.00 H new ATOM 0 HG2 LYS A 8 102.831 0.923 15.203 1.00 0.00 H new ATOM 0 HG3 LYS A 8 103.238 -0.529 16.097 1.00 0.00 H new ATOM 0 HD2 LYS A 8 103.438 1.071 18.183 1.00 0.00 H new ATOM 0 HD3 LYS A 8 102.557 2.225 17.202 1.00 0.00 H new ATOM 0 HE2 LYS A 8 100.905 0.187 16.759 1.00 0.00 H new ATOM 0 HE3 LYS A 8 101.641 -0.496 18.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 99.692 0.828 18.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 101.086 1.539 19.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 100.373 2.200 18.022 1.00 0.00 H new ATOM 122 N ASP A 9 106.770 1.511 13.274 1.00 0.00 N ATOM 123 CA ASP A 9 106.898 2.421 12.098 1.00 0.00 C ATOM 124 C ASP A 9 108.304 2.324 11.498 1.00 0.00 C ATOM 125 O ASP A 9 109.201 1.740 12.073 1.00 0.00 O ATOM 126 CB ASP A 9 106.637 3.862 12.542 1.00 0.00 C ATOM 127 CG ASP A 9 105.154 4.038 12.871 1.00 0.00 C ATOM 128 OD1 ASP A 9 104.340 3.778 11.999 1.00 0.00 O ATOM 129 OD2 ASP A 9 104.856 4.429 13.987 1.00 0.00 O ATOM 0 H ASP A 9 107.645 1.261 13.734 1.00 0.00 H new ATOM 0 HA ASP A 9 106.170 2.125 11.343 1.00 0.00 H new ATOM 0 HB2 ASP A 9 107.244 4.099 13.416 1.00 0.00 H new ATOM 0 HB3 ASP A 9 106.929 4.555 11.753 1.00 0.00 H new ATOM 134 N PHE A 10 108.496 2.909 10.346 1.00 0.00 N ATOM 135 CA PHE A 10 109.838 2.875 9.694 1.00 0.00 C ATOM 136 C PHE A 10 110.898 3.304 10.711 1.00 0.00 C ATOM 137 O PHE A 10 110.572 3.846 11.749 1.00 0.00 O ATOM 138 CB PHE A 10 109.850 3.866 8.525 1.00 0.00 C ATOM 139 CG PHE A 10 109.271 3.222 7.288 1.00 0.00 C ATOM 140 CD1 PHE A 10 107.942 2.780 7.283 1.00 0.00 C ATOM 141 CD2 PHE A 10 110.061 3.077 6.141 1.00 0.00 C ATOM 142 CE1 PHE A 10 107.405 2.192 6.132 1.00 0.00 C ATOM 143 CE2 PHE A 10 109.524 2.487 4.990 1.00 0.00 C ATOM 144 CZ PHE A 10 108.196 2.045 4.986 1.00 0.00 C ATOM 0 H PHE A 10 107.777 3.412 9.826 1.00 0.00 H new ATOM 0 HA PHE A 10 110.049 1.868 9.335 1.00 0.00 H new ATOM 0 HB2 PHE A 10 109.273 4.753 8.785 1.00 0.00 H new ATOM 0 HB3 PHE A 10 110.870 4.195 8.329 1.00 0.00 H new ATOM 0 HD1 PHE A 10 107.332 2.893 8.167 1.00 0.00 H new ATOM 0 HD2 PHE A 10 111.085 3.420 6.144 1.00 0.00 H new ATOM 0 HE1 PHE A 10 106.380 1.852 6.128 1.00 0.00 H new ATOM 0 HE2 PHE A 10 110.134 2.373 4.106 1.00 0.00 H new ATOM 0 HZ PHE A 10 107.781 1.590 4.099 1.00 0.00 H new ATOM 154 N PRO A 11 112.140 3.062 10.381 1.00 0.00 N ATOM 155 CA PRO A 11 113.272 3.430 11.247 1.00 0.00 C ATOM 156 C PRO A 11 113.569 4.928 11.117 1.00 0.00 C ATOM 157 O PRO A 11 113.323 5.534 10.093 1.00 0.00 O ATOM 158 CB PRO A 11 114.427 2.586 10.708 1.00 0.00 C ATOM 159 CG PRO A 11 114.060 2.219 9.251 1.00 0.00 C ATOM 160 CD PRO A 11 112.534 2.396 9.120 1.00 0.00 C ATOM 0 HA PRO A 11 113.086 3.249 12.306 1.00 0.00 H new ATOM 0 HB2 PRO A 11 115.364 3.142 10.744 1.00 0.00 H new ATOM 0 HB3 PRO A 11 114.566 1.689 11.311 1.00 0.00 H new ATOM 0 HG2 PRO A 11 114.586 2.862 8.546 1.00 0.00 H new ATOM 0 HG3 PRO A 11 114.351 1.193 9.025 1.00 0.00 H new ATOM 0 HD2 PRO A 11 112.276 3.002 8.251 1.00 0.00 H new ATOM 0 HD3 PRO A 11 112.030 1.437 9.001 1.00 0.00 H new ATOM 168 N SER A 12 114.085 5.531 12.153 1.00 0.00 N ATOM 169 CA SER A 12 114.387 6.991 12.098 1.00 0.00 C ATOM 170 C SER A 12 115.321 7.295 10.924 1.00 0.00 C ATOM 171 O SER A 12 115.144 8.264 10.213 1.00 0.00 O ATOM 172 CB SER A 12 115.057 7.418 13.404 1.00 0.00 C ATOM 173 OG SER A 12 116.211 6.617 13.622 1.00 0.00 O ATOM 0 H SER A 12 114.311 5.075 13.037 1.00 0.00 H new ATOM 0 HA SER A 12 113.456 7.542 11.961 1.00 0.00 H new ATOM 0 HB2 SER A 12 115.334 8.471 13.357 1.00 0.00 H new ATOM 0 HB3 SER A 12 114.361 7.309 14.236 1.00 0.00 H new ATOM 0 HG SER A 12 116.645 6.889 14.458 1.00 0.00 H new ATOM 179 N GLU A 13 116.316 6.480 10.718 1.00 0.00 N ATOM 180 CA GLU A 13 117.266 6.728 9.594 1.00 0.00 C ATOM 181 C GLU A 13 116.488 6.910 8.287 1.00 0.00 C ATOM 182 O GLU A 13 116.910 7.624 7.400 1.00 0.00 O ATOM 183 CB GLU A 13 118.216 5.537 9.454 1.00 0.00 C ATOM 184 CG GLU A 13 119.415 5.936 8.590 1.00 0.00 C ATOM 185 CD GLU A 13 120.382 6.787 9.415 1.00 0.00 C ATOM 186 OE1 GLU A 13 120.890 6.281 10.401 1.00 0.00 O ATOM 187 OE2 GLU A 13 120.599 7.929 9.044 1.00 0.00 O ATOM 0 H GLU A 13 116.515 5.651 11.279 1.00 0.00 H new ATOM 0 HA GLU A 13 117.839 7.631 9.804 1.00 0.00 H new ATOM 0 HB2 GLU A 13 118.556 5.212 10.437 1.00 0.00 H new ATOM 0 HB3 GLU A 13 117.694 4.693 9.002 1.00 0.00 H new ATOM 0 HG2 GLU A 13 119.923 5.045 8.221 1.00 0.00 H new ATOM 0 HG3 GLU A 13 119.077 6.495 7.717 1.00 0.00 H new ATOM 194 N LEU A 14 115.363 6.265 8.159 1.00 0.00 N ATOM 195 CA LEU A 14 114.569 6.398 6.904 1.00 0.00 C ATOM 196 C LEU A 14 113.461 7.435 7.097 1.00 0.00 C ATOM 197 O LEU A 14 112.889 7.928 6.145 1.00 0.00 O ATOM 198 CB LEU A 14 113.942 5.048 6.556 1.00 0.00 C ATOM 199 CG LEU A 14 114.248 4.707 5.099 1.00 0.00 C ATOM 200 CD1 LEU A 14 115.762 4.650 4.896 1.00 0.00 C ATOM 201 CD2 LEU A 14 113.632 3.351 4.755 1.00 0.00 C ATOM 0 H LEU A 14 114.958 5.652 8.867 1.00 0.00 H new ATOM 0 HA LEU A 14 115.226 6.719 6.096 1.00 0.00 H new ATOM 0 HB2 LEU A 14 114.335 4.272 7.213 1.00 0.00 H new ATOM 0 HB3 LEU A 14 112.864 5.084 6.714 1.00 0.00 H new ATOM 0 HG LEU A 14 113.825 5.472 4.448 1.00 0.00 H new ATOM 0 HD11 LEU A 14 115.981 4.407 3.856 1.00 0.00 H new ATOM 0 HD12 LEU A 14 116.199 5.618 5.142 1.00 0.00 H new ATOM 0 HD13 LEU A 14 116.188 3.885 5.545 1.00 0.00 H new ATOM 0 HD21 LEU A 14 113.849 3.106 3.715 1.00 0.00 H new ATOM 0 HD22 LEU A 14 114.054 2.584 5.405 1.00 0.00 H new ATOM 0 HD23 LEU A 14 112.552 3.395 4.899 1.00 0.00 H new ATOM 213 N LEU A 15 113.151 7.770 8.318 1.00 0.00 N ATOM 214 CA LEU A 15 112.077 8.774 8.562 1.00 0.00 C ATOM 215 C LEU A 15 112.543 10.152 8.084 1.00 0.00 C ATOM 216 O LEU A 15 111.787 11.102 8.067 1.00 0.00 O ATOM 217 CB LEU A 15 111.759 8.833 10.058 1.00 0.00 C ATOM 218 CG LEU A 15 111.053 7.543 10.481 1.00 0.00 C ATOM 219 CD1 LEU A 15 111.066 7.430 12.006 1.00 0.00 C ATOM 220 CD2 LEU A 15 109.605 7.569 9.985 1.00 0.00 C ATOM 0 H LEU A 15 113.593 7.393 9.156 1.00 0.00 H new ATOM 0 HA LEU A 15 111.182 8.484 8.012 1.00 0.00 H new ATOM 0 HB2 LEU A 15 112.677 8.962 10.631 1.00 0.00 H new ATOM 0 HB3 LEU A 15 111.126 9.694 10.272 1.00 0.00 H new ATOM 0 HG LEU A 15 111.571 6.687 10.049 1.00 0.00 H new ATOM 0 HD11 LEU A 15 110.563 6.511 12.307 1.00 0.00 H new ATOM 0 HD12 LEU A 15 112.096 7.413 12.361 1.00 0.00 H new ATOM 0 HD13 LEU A 15 110.548 8.286 12.439 1.00 0.00 H new ATOM 0 HD21 LEU A 15 109.101 6.651 10.286 1.00 0.00 H new ATOM 0 HD22 LEU A 15 109.088 8.425 10.418 1.00 0.00 H new ATOM 0 HD23 LEU A 15 109.594 7.650 8.898 1.00 0.00 H new ATOM 232 N SER A 16 113.784 10.268 7.695 1.00 0.00 N ATOM 233 CA SER A 16 114.295 11.584 7.218 1.00 0.00 C ATOM 234 C SER A 16 113.499 12.023 5.987 1.00 0.00 C ATOM 235 O SER A 16 113.488 13.183 5.626 1.00 0.00 O ATOM 236 CB SER A 16 115.772 11.454 6.849 1.00 0.00 C ATOM 237 OG SER A 16 116.568 11.954 7.915 1.00 0.00 O ATOM 0 H SER A 16 114.465 9.509 7.687 1.00 0.00 H new ATOM 0 HA SER A 16 114.182 12.326 8.008 1.00 0.00 H new ATOM 0 HB2 SER A 16 116.019 10.411 6.654 1.00 0.00 H new ATOM 0 HB3 SER A 16 115.980 12.008 5.934 1.00 0.00 H new ATOM 0 HG SER A 16 117.516 11.870 7.682 1.00 0.00 H new ATOM 243 N PHE A 17 112.833 11.106 5.340 1.00 0.00 N ATOM 244 CA PHE A 17 112.039 11.476 4.134 1.00 0.00 C ATOM 245 C PHE A 17 110.916 10.459 3.922 1.00 0.00 C ATOM 246 O PHE A 17 111.018 9.569 3.101 1.00 0.00 O ATOM 247 CB PHE A 17 112.948 11.494 2.901 1.00 0.00 C ATOM 248 CG PHE A 17 114.010 10.423 3.018 1.00 0.00 C ATOM 249 CD1 PHE A 17 113.741 9.227 3.697 1.00 0.00 C ATOM 250 CD2 PHE A 17 115.269 10.628 2.438 1.00 0.00 C ATOM 251 CE1 PHE A 17 114.729 8.241 3.797 1.00 0.00 C ATOM 252 CE2 PHE A 17 116.256 9.642 2.538 1.00 0.00 C ATOM 253 CZ PHE A 17 115.986 8.447 3.219 1.00 0.00 C ATOM 0 H PHE A 17 112.804 10.118 5.594 1.00 0.00 H new ATOM 0 HA PHE A 17 111.608 12.466 4.282 1.00 0.00 H new ATOM 0 HB2 PHE A 17 112.355 11.331 2.001 1.00 0.00 H new ATOM 0 HB3 PHE A 17 113.418 12.473 2.801 1.00 0.00 H new ATOM 0 HD1 PHE A 17 112.771 9.066 4.143 1.00 0.00 H new ATOM 0 HD2 PHE A 17 115.478 11.549 1.913 1.00 0.00 H new ATOM 0 HE1 PHE A 17 114.521 7.320 4.321 1.00 0.00 H new ATOM 0 HE2 PHE A 17 117.226 9.801 2.091 1.00 0.00 H new ATOM 0 HZ PHE A 17 116.748 7.686 3.297 1.00 0.00 H new ATOM 263 N LEU A 18 109.840 10.584 4.651 1.00 0.00 N ATOM 264 CA LEU A 18 108.713 9.625 4.483 1.00 0.00 C ATOM 265 C LEU A 18 107.388 10.390 4.480 1.00 0.00 C ATOM 266 O LEU A 18 107.282 11.466 5.032 1.00 0.00 O ATOM 267 CB LEU A 18 108.718 8.620 5.638 1.00 0.00 C ATOM 268 CG LEU A 18 109.112 7.240 5.112 1.00 0.00 C ATOM 269 CD1 LEU A 18 108.992 6.211 6.238 1.00 0.00 C ATOM 270 CD2 LEU A 18 108.180 6.848 3.963 1.00 0.00 C ATOM 0 H LEU A 18 109.694 11.308 5.354 1.00 0.00 H new ATOM 0 HA LEU A 18 108.829 9.093 3.539 1.00 0.00 H new ATOM 0 HB2 LEU A 18 109.418 8.940 6.410 1.00 0.00 H new ATOM 0 HB3 LEU A 18 107.732 8.577 6.101 1.00 0.00 H new ATOM 0 HG LEU A 18 110.141 7.268 4.753 1.00 0.00 H new ATOM 0 HD11 LEU A 18 109.273 5.227 5.863 1.00 0.00 H new ATOM 0 HD12 LEU A 18 109.654 6.490 7.058 1.00 0.00 H new ATOM 0 HD13 LEU A 18 107.963 6.182 6.597 1.00 0.00 H new ATOM 0 HD21 LEU A 18 108.460 5.864 3.587 1.00 0.00 H new ATOM 0 HD22 LEU A 18 107.151 6.820 4.322 1.00 0.00 H new ATOM 0 HD23 LEU A 18 108.264 7.581 3.160 1.00 0.00 H new ATOM 282 N SER A 19 106.378 9.844 3.861 1.00 0.00 N ATOM 283 CA SER A 19 105.062 10.543 3.824 1.00 0.00 C ATOM 284 C SER A 19 104.125 9.919 4.861 1.00 0.00 C ATOM 285 O SER A 19 103.402 8.986 4.576 1.00 0.00 O ATOM 286 CB SER A 19 104.448 10.402 2.431 1.00 0.00 C ATOM 287 OG SER A 19 105.489 10.300 1.468 1.00 0.00 O ATOM 0 H SER A 19 106.407 8.945 3.380 1.00 0.00 H new ATOM 0 HA SER A 19 105.205 11.599 4.052 1.00 0.00 H new ATOM 0 HB2 SER A 19 103.810 9.519 2.389 1.00 0.00 H new ATOM 0 HB3 SER A 19 103.816 11.262 2.211 1.00 0.00 H new ATOM 0 HG SER A 19 105.459 11.076 0.871 1.00 0.00 H new ATOM 293 N HIS A 20 104.132 10.427 6.063 1.00 0.00 N ATOM 294 CA HIS A 20 103.240 9.863 7.117 1.00 0.00 C ATOM 295 C HIS A 20 101.790 10.241 6.812 1.00 0.00 C ATOM 296 O HIS A 20 101.288 11.241 7.286 1.00 0.00 O ATOM 297 CB HIS A 20 103.639 10.430 8.481 1.00 0.00 C ATOM 298 CG HIS A 20 105.131 10.607 8.538 1.00 0.00 C ATOM 299 ND1 HIS A 20 106.006 9.535 8.463 1.00 0.00 N ATOM 300 CD2 HIS A 20 105.918 11.726 8.661 1.00 0.00 C ATOM 301 CE1 HIS A 20 107.258 10.026 8.542 1.00 0.00 C ATOM 302 NE2 HIS A 20 107.260 11.356 8.663 1.00 0.00 N ATOM 0 H HIS A 20 104.716 11.208 6.361 1.00 0.00 H new ATOM 0 HA HIS A 20 103.337 8.777 7.133 1.00 0.00 H new ATOM 0 HB2 HIS A 20 103.143 11.386 8.648 1.00 0.00 H new ATOM 0 HB3 HIS A 20 103.312 9.758 9.275 1.00 0.00 H new ATOM 0 HD2 HIS A 20 105.552 12.739 8.744 1.00 0.00 H new ATOM 0 HE1 HIS A 20 108.151 9.419 8.511 1.00 0.00 H new ATOM 0 HE2 HIS A 20 108.071 11.969 8.740 1.00 0.00 H new ATOM 310 N ALA A 21 101.111 9.450 6.025 1.00 0.00 N ATOM 311 CA ALA A 21 99.693 9.768 5.694 1.00 0.00 C ATOM 312 C ALA A 21 99.141 8.711 4.735 1.00 0.00 C ATOM 313 O ALA A 21 99.610 8.561 3.624 1.00 0.00 O ATOM 314 CB ALA A 21 99.620 11.144 5.031 1.00 0.00 C ATOM 0 H ALA A 21 101.477 8.599 5.598 1.00 0.00 H new ATOM 0 HA ALA A 21 99.100 9.773 6.609 1.00 0.00 H new ATOM 0 HB1 ALA A 21 98.583 11.377 4.789 1.00 0.00 H new ATOM 0 HB2 ALA A 21 100.011 11.898 5.714 1.00 0.00 H new ATOM 0 HB3 ALA A 21 100.214 11.139 4.117 1.00 0.00 H new ATOM 320 N VAL A 22 98.146 7.978 5.154 1.00 0.00 N ATOM 321 CA VAL A 22 97.563 6.933 4.266 1.00 0.00 C ATOM 322 C VAL A 22 96.200 7.405 3.756 1.00 0.00 C ATOM 323 O VAL A 22 95.850 7.206 2.611 1.00 0.00 O ATOM 324 CB VAL A 22 97.388 5.629 5.049 1.00 0.00 C ATOM 325 CG1 VAL A 22 97.483 4.440 4.090 1.00 0.00 C ATOM 326 CG2 VAL A 22 98.486 5.515 6.108 1.00 0.00 C ATOM 0 H VAL A 22 97.711 8.058 6.073 1.00 0.00 H new ATOM 0 HA VAL A 22 98.232 6.761 3.423 1.00 0.00 H new ATOM 0 HB VAL A 22 96.412 5.629 5.535 1.00 0.00 H new ATOM 0 HG11 VAL A 22 97.358 3.512 4.648 1.00 0.00 H new ATOM 0 HG12 VAL A 22 96.700 4.518 3.335 1.00 0.00 H new ATOM 0 HG13 VAL A 22 98.458 4.442 3.603 1.00 0.00 H new ATOM 0 HG21 VAL A 22 98.360 4.586 6.664 1.00 0.00 H new ATOM 0 HG22 VAL A 22 99.462 5.517 5.622 1.00 0.00 H new ATOM 0 HG23 VAL A 22 98.420 6.360 6.793 1.00 0.00 H new ATOM 336 N PHE A 23 95.431 8.029 4.603 1.00 0.00 N ATOM 337 CA PHE A 23 94.090 8.515 4.172 1.00 0.00 C ATOM 338 C PHE A 23 94.209 9.960 3.679 1.00 0.00 C ATOM 339 O PHE A 23 93.257 10.714 3.704 1.00 0.00 O ATOM 340 CB PHE A 23 93.118 8.460 5.356 1.00 0.00 C ATOM 341 CG PHE A 23 93.346 7.193 6.149 1.00 0.00 C ATOM 342 CD1 PHE A 23 93.896 6.063 5.531 1.00 0.00 C ATOM 343 CD2 PHE A 23 93.005 7.152 7.506 1.00 0.00 C ATOM 344 CE1 PHE A 23 94.104 4.893 6.271 1.00 0.00 C ATOM 345 CE2 PHE A 23 93.213 5.981 8.245 1.00 0.00 C ATOM 346 CZ PHE A 23 93.762 4.852 7.628 1.00 0.00 C ATOM 0 H PHE A 23 95.672 8.224 5.575 1.00 0.00 H new ATOM 0 HA PHE A 23 93.716 7.882 3.367 1.00 0.00 H new ATOM 0 HB2 PHE A 23 93.261 9.331 5.996 1.00 0.00 H new ATOM 0 HB3 PHE A 23 92.090 8.494 4.996 1.00 0.00 H new ATOM 0 HD1 PHE A 23 94.160 6.094 4.484 1.00 0.00 H new ATOM 0 HD2 PHE A 23 92.581 8.024 7.983 1.00 0.00 H new ATOM 0 HE1 PHE A 23 94.529 4.022 5.795 1.00 0.00 H new ATOM 0 HE2 PHE A 23 92.949 5.949 9.292 1.00 0.00 H new ATOM 0 HZ PHE A 23 93.922 3.949 8.198 1.00 0.00 H new ATOM 356 N SER A 24 95.371 10.350 3.232 1.00 0.00 N ATOM 357 CA SER A 24 95.550 11.745 2.739 1.00 0.00 C ATOM 358 C SER A 24 94.841 11.908 1.393 1.00 0.00 C ATOM 359 O SER A 24 94.308 10.964 0.843 1.00 0.00 O ATOM 360 CB SER A 24 97.041 12.038 2.569 1.00 0.00 C ATOM 361 OG SER A 24 97.463 12.934 3.589 1.00 0.00 O ATOM 0 H SER A 24 96.204 9.763 3.187 1.00 0.00 H new ATOM 0 HA SER A 24 95.122 12.442 3.460 1.00 0.00 H new ATOM 0 HB2 SER A 24 97.614 11.112 2.623 1.00 0.00 H new ATOM 0 HB3 SER A 24 97.228 12.472 1.587 1.00 0.00 H new ATOM 0 HG SER A 24 98.419 13.123 3.484 1.00 0.00 H new ATOM 367 N ASN A 25 94.830 13.099 0.857 1.00 0.00 N ATOM 368 CA ASN A 25 94.156 13.322 -0.452 1.00 0.00 C ATOM 369 C ASN A 25 95.187 13.211 -1.581 1.00 0.00 C ATOM 370 O ASN A 25 96.123 12.441 -1.504 1.00 0.00 O ATOM 371 CB ASN A 25 93.517 14.715 -0.465 1.00 0.00 C ATOM 372 CG ASN A 25 94.606 15.787 -0.371 1.00 0.00 C ATOM 373 OD1 ASN A 25 95.758 15.530 -0.659 1.00 0.00 O ATOM 374 ND2 ASN A 25 94.287 16.989 0.025 1.00 0.00 N ATOM 0 H ASN A 25 95.259 13.927 1.270 1.00 0.00 H new ATOM 0 HA ASN A 25 93.381 12.570 -0.599 1.00 0.00 H new ATOM 0 HB2 ASN A 25 92.938 14.851 -1.379 1.00 0.00 H new ATOM 0 HB3 ASN A 25 92.823 14.814 0.370 1.00 0.00 H new ATOM 0 HD21 ASN A 25 95.004 17.711 0.092 1.00 0.00 H new ATOM 0 HD22 ASN A 25 93.320 17.206 0.267 1.00 0.00 H new ATOM 381 N ARG A 26 95.023 13.972 -2.630 1.00 0.00 N ATOM 382 CA ARG A 26 95.995 13.904 -3.758 1.00 0.00 C ATOM 383 C ARG A 26 96.239 12.441 -4.135 1.00 0.00 C ATOM 384 O ARG A 26 95.580 11.546 -3.645 1.00 0.00 O ATOM 385 CB ARG A 26 97.317 14.549 -3.334 1.00 0.00 C ATOM 386 CG ARG A 26 97.550 15.819 -4.154 1.00 0.00 C ATOM 387 CD ARG A 26 98.415 15.489 -5.372 1.00 0.00 C ATOM 388 NE ARG A 26 99.012 16.743 -5.912 1.00 0.00 N ATOM 389 CZ ARG A 26 99.516 17.628 -5.098 1.00 0.00 C ATOM 390 NH1 ARG A 26 98.751 18.548 -4.578 1.00 0.00 N ATOM 391 NH2 ARG A 26 100.788 17.595 -4.804 1.00 0.00 N ATOM 0 H ARG A 26 94.259 14.637 -2.754 1.00 0.00 H new ATOM 0 HA ARG A 26 95.590 14.438 -4.618 1.00 0.00 H new ATOM 0 HB2 ARG A 26 97.293 14.789 -2.271 1.00 0.00 H new ATOM 0 HB3 ARG A 26 98.140 13.850 -3.484 1.00 0.00 H new ATOM 0 HG2 ARG A 26 96.596 16.237 -4.475 1.00 0.00 H new ATOM 0 HG3 ARG A 26 98.040 16.576 -3.541 1.00 0.00 H new ATOM 0 HD2 ARG A 26 99.203 14.789 -5.093 1.00 0.00 H new ATOM 0 HD3 ARG A 26 97.812 15.001 -6.138 1.00 0.00 H new ATOM 0 HE ARG A 26 99.026 16.909 -6.918 1.00 0.00 H new ATOM 0 HH11 ARG A 26 97.758 18.575 -4.808 1.00 0.00 H new ATOM 0 HH12 ARG A 26 99.146 19.240 -3.941 1.00 0.00 H new ATOM 0 HH21 ARG A 26 101.387 16.877 -5.211 1.00 0.00 H new ATOM 0 HH22 ARG A 26 101.182 18.287 -4.167 1.00 0.00 H new ATOM 405 N THR A 27 97.180 12.192 -5.003 1.00 0.00 N ATOM 406 CA THR A 27 97.465 10.788 -5.412 1.00 0.00 C ATOM 407 C THR A 27 98.970 10.523 -5.329 1.00 0.00 C ATOM 408 O THR A 27 99.777 11.353 -5.697 1.00 0.00 O ATOM 409 CB THR A 27 96.987 10.572 -6.851 1.00 0.00 C ATOM 410 OG1 THR A 27 97.350 11.694 -7.642 1.00 0.00 O ATOM 411 CG2 THR A 27 95.466 10.404 -6.867 1.00 0.00 C ATOM 0 H THR A 27 97.764 12.900 -5.447 1.00 0.00 H new ATOM 0 HA THR A 27 96.941 10.103 -4.746 1.00 0.00 H new ATOM 0 HB THR A 27 97.453 9.674 -7.258 1.00 0.00 H new ATOM 0 HG1 THR A 27 96.620 11.909 -8.259 1.00 0.00 H new ATOM 0 HG21 THR A 27 95.128 10.250 -7.892 1.00 0.00 H new ATOM 0 HG22 THR A 27 95.189 9.542 -6.260 1.00 0.00 H new ATOM 0 HG23 THR A 27 94.997 11.300 -6.460 1.00 0.00 H new ATOM 419 N LEU A 28 99.354 9.372 -4.849 1.00 0.00 N ATOM 420 CA LEU A 28 100.806 9.053 -4.744 1.00 0.00 C ATOM 421 C LEU A 28 101.073 7.688 -5.381 1.00 0.00 C ATOM 422 O LEU A 28 100.440 6.704 -5.049 1.00 0.00 O ATOM 423 CB LEU A 28 101.216 9.015 -3.269 1.00 0.00 C ATOM 424 CG LEU A 28 102.294 10.069 -3.010 1.00 0.00 C ATOM 425 CD1 LEU A 28 101.632 11.413 -2.703 1.00 0.00 C ATOM 426 CD2 LEU A 28 103.150 9.640 -1.816 1.00 0.00 C ATOM 0 H LEU A 28 98.724 8.638 -4.525 1.00 0.00 H new ATOM 0 HA LEU A 28 101.385 9.818 -5.262 1.00 0.00 H new ATOM 0 HB2 LEU A 28 100.349 9.203 -2.635 1.00 0.00 H new ATOM 0 HB3 LEU A 28 101.591 8.025 -3.011 1.00 0.00 H new ATOM 0 HG LEU A 28 102.924 10.168 -3.894 1.00 0.00 H new ATOM 0 HD11 LEU A 28 102.401 12.163 -2.519 1.00 0.00 H new ATOM 0 HD12 LEU A 28 101.021 11.720 -3.552 1.00 0.00 H new ATOM 0 HD13 LEU A 28 101.002 11.315 -1.819 1.00 0.00 H new ATOM 0 HD21 LEU A 28 103.918 10.391 -1.631 1.00 0.00 H new ATOM 0 HD22 LEU A 28 102.519 9.541 -0.933 1.00 0.00 H new ATOM 0 HD23 LEU A 28 103.623 8.682 -2.033 1.00 0.00 H new ATOM 438 N ALA A 29 102.002 7.617 -6.294 1.00 0.00 N ATOM 439 CA ALA A 29 102.303 6.313 -6.950 1.00 0.00 C ATOM 440 C ALA A 29 103.531 5.675 -6.284 1.00 0.00 C ATOM 441 O ALA A 29 103.840 4.519 -6.509 1.00 0.00 O ATOM 442 CB ALA A 29 102.597 6.545 -8.434 1.00 0.00 C ATOM 0 H ALA A 29 102.565 8.405 -6.614 1.00 0.00 H new ATOM 0 HA ALA A 29 101.445 5.649 -6.846 1.00 0.00 H new ATOM 0 HB1 ALA A 29 102.817 5.592 -8.915 1.00 0.00 H new ATOM 0 HB2 ALA A 29 101.728 6.999 -8.910 1.00 0.00 H new ATOM 0 HB3 ALA A 29 103.455 7.209 -8.535 1.00 0.00 H new ATOM 448 N CYS A 30 104.233 6.416 -5.461 1.00 0.00 N ATOM 449 CA CYS A 30 105.432 5.844 -4.777 1.00 0.00 C ATOM 450 C CYS A 30 104.999 5.261 -3.434 1.00 0.00 C ATOM 451 O CYS A 30 104.347 5.914 -2.642 1.00 0.00 O ATOM 452 CB CYS A 30 106.478 6.933 -4.549 1.00 0.00 C ATOM 453 SG CYS A 30 108.009 6.172 -3.956 1.00 0.00 S ATOM 0 H CYS A 30 104.027 7.389 -5.235 1.00 0.00 H new ATOM 0 HA CYS A 30 105.870 5.064 -5.401 1.00 0.00 H new ATOM 0 HB2 CYS A 30 106.663 7.476 -5.476 1.00 0.00 H new ATOM 0 HB3 CYS A 30 106.113 7.658 -3.822 1.00 0.00 H new ATOM 0 HG CYS A 30 107.748 4.996 -3.467 1.00 0.00 H new ATOM 459 N PHE A 31 105.324 4.023 -3.184 1.00 0.00 N ATOM 460 CA PHE A 31 104.892 3.389 -1.911 1.00 0.00 C ATOM 461 C PHE A 31 106.092 2.834 -1.142 1.00 0.00 C ATOM 462 O PHE A 31 106.858 2.037 -1.652 1.00 0.00 O ATOM 463 CB PHE A 31 103.948 2.232 -2.238 1.00 0.00 C ATOM 464 CG PHE A 31 102.679 2.746 -2.877 1.00 0.00 C ATOM 465 CD1 PHE A 31 102.737 3.495 -4.056 1.00 0.00 C ATOM 466 CD2 PHE A 31 101.439 2.456 -2.304 1.00 0.00 C ATOM 467 CE1 PHE A 31 101.571 3.953 -4.657 1.00 0.00 C ATOM 468 CE2 PHE A 31 100.269 2.921 -2.908 1.00 0.00 C ATOM 469 CZ PHE A 31 100.334 3.672 -4.088 1.00 0.00 C ATOM 0 H PHE A 31 105.869 3.425 -3.806 1.00 0.00 H new ATOM 0 HA PHE A 31 104.396 4.140 -1.296 1.00 0.00 H new ATOM 0 HB2 PHE A 31 104.442 1.531 -2.911 1.00 0.00 H new ATOM 0 HB3 PHE A 31 103.707 1.684 -1.327 1.00 0.00 H new ATOM 0 HD1 PHE A 31 103.694 3.719 -4.503 1.00 0.00 H new ATOM 0 HD2 PHE A 31 101.385 1.874 -1.396 1.00 0.00 H new ATOM 0 HE1 PHE A 31 101.626 4.529 -5.569 1.00 0.00 H new ATOM 0 HE2 PHE A 31 99.310 2.700 -2.463 1.00 0.00 H new ATOM 0 HZ PHE A 31 99.428 4.031 -4.554 1.00 0.00 H new ATOM 479 N ALA A 32 106.238 3.221 0.095 1.00 0.00 N ATOM 480 CA ALA A 32 107.357 2.691 0.920 1.00 0.00 C ATOM 481 C ALA A 32 106.776 1.689 1.917 1.00 0.00 C ATOM 482 O ALA A 32 106.155 2.063 2.892 1.00 0.00 O ATOM 483 CB ALA A 32 108.038 3.829 1.683 1.00 0.00 C ATOM 0 H ALA A 32 105.627 3.885 0.571 1.00 0.00 H new ATOM 0 HA ALA A 32 108.097 2.213 0.278 1.00 0.00 H new ATOM 0 HB1 ALA A 32 108.855 3.427 2.283 1.00 0.00 H new ATOM 0 HB2 ALA A 32 108.432 4.557 0.974 1.00 0.00 H new ATOM 0 HB3 ALA A 32 107.313 4.314 2.336 1.00 0.00 H new ATOM 489 N ILE A 33 106.950 0.420 1.673 1.00 0.00 N ATOM 490 CA ILE A 33 106.384 -0.594 2.603 1.00 0.00 C ATOM 491 C ILE A 33 107.448 -1.016 3.618 1.00 0.00 C ATOM 492 O ILE A 33 108.618 -1.119 3.307 1.00 0.00 O ATOM 493 CB ILE A 33 105.915 -1.813 1.804 1.00 0.00 C ATOM 494 CG1 ILE A 33 104.607 -1.474 1.084 1.00 0.00 C ATOM 495 CG2 ILE A 33 105.680 -2.995 2.751 1.00 0.00 C ATOM 496 CD1 ILE A 33 104.324 -2.528 0.011 1.00 0.00 C ATOM 0 H ILE A 33 107.458 0.043 0.873 1.00 0.00 H new ATOM 0 HA ILE A 33 105.536 -0.164 3.136 1.00 0.00 H new ATOM 0 HB ILE A 33 106.679 -2.081 1.075 1.00 0.00 H new ATOM 0 HG12 ILE A 33 103.785 -1.438 1.799 1.00 0.00 H new ATOM 0 HG13 ILE A 33 104.676 -0.486 0.629 1.00 0.00 H new ATOM 0 HG21 ILE A 33 105.346 -3.860 2.178 1.00 0.00 H new ATOM 0 HG22 ILE A 33 106.609 -3.238 3.267 1.00 0.00 H new ATOM 0 HG23 ILE A 33 104.917 -2.729 3.483 1.00 0.00 H new ATOM 0 HD11 ILE A 33 103.393 -2.285 -0.501 1.00 0.00 H new ATOM 0 HD12 ILE A 33 105.141 -2.542 -0.710 1.00 0.00 H new ATOM 0 HD13 ILE A 33 104.236 -3.509 0.479 1.00 0.00 H new ATOM 508 N TYR A 34 107.038 -1.267 4.828 1.00 0.00 N ATOM 509 CA TYR A 34 108.000 -1.694 5.882 1.00 0.00 C ATOM 510 C TYR A 34 107.416 -2.918 6.578 1.00 0.00 C ATOM 511 O TYR A 34 106.490 -2.816 7.357 1.00 0.00 O ATOM 512 CB TYR A 34 108.184 -0.556 6.889 1.00 0.00 C ATOM 513 CG TYR A 34 109.008 -1.029 8.063 1.00 0.00 C ATOM 514 CD1 TYR A 34 110.140 -1.824 7.854 1.00 0.00 C ATOM 515 CD2 TYR A 34 108.644 -0.661 9.363 1.00 0.00 C ATOM 516 CE1 TYR A 34 110.906 -2.250 8.942 1.00 0.00 C ATOM 517 CE2 TYR A 34 109.409 -1.088 10.452 1.00 0.00 C ATOM 518 CZ TYR A 34 110.542 -1.882 10.242 1.00 0.00 C ATOM 519 OH TYR A 34 111.299 -2.303 11.315 1.00 0.00 O ATOM 0 H TYR A 34 106.068 -1.194 5.136 1.00 0.00 H new ATOM 0 HA TYR A 34 108.970 -1.936 5.448 1.00 0.00 H new ATOM 0 HB2 TYR A 34 108.675 0.290 6.408 1.00 0.00 H new ATOM 0 HB3 TYR A 34 107.212 -0.206 7.235 1.00 0.00 H new ATOM 0 HD1 TYR A 34 110.422 -2.109 6.851 1.00 0.00 H new ATOM 0 HD2 TYR A 34 107.771 -0.046 9.525 1.00 0.00 H new ATOM 0 HE1 TYR A 34 111.780 -2.864 8.780 1.00 0.00 H new ATOM 0 HE2 TYR A 34 109.126 -0.805 11.455 1.00 0.00 H new ATOM 0 HH TYR A 34 111.512 -1.536 11.886 1.00 0.00 H new ATOM 529 N THR A 35 107.922 -4.082 6.283 1.00 0.00 N ATOM 530 CA THR A 35 107.352 -5.304 6.914 1.00 0.00 C ATOM 531 C THR A 35 108.443 -6.347 7.142 1.00 0.00 C ATOM 532 O THR A 35 109.591 -6.153 6.794 1.00 0.00 O ATOM 533 CB THR A 35 106.294 -5.890 5.977 1.00 0.00 C ATOM 534 OG1 THR A 35 106.942 -6.616 4.942 1.00 0.00 O ATOM 535 CG2 THR A 35 105.469 -4.762 5.362 1.00 0.00 C ATOM 0 H THR A 35 108.697 -4.240 5.639 1.00 0.00 H new ATOM 0 HA THR A 35 106.912 -5.038 7.875 1.00 0.00 H new ATOM 0 HB THR A 35 105.636 -6.552 6.539 1.00 0.00 H new ATOM 0 HG1 THR A 35 106.708 -6.227 4.074 1.00 0.00 H new ATOM 0 HG21 THR A 35 104.717 -5.183 4.695 1.00 0.00 H new ATOM 0 HG22 THR A 35 104.977 -4.198 6.154 1.00 0.00 H new ATOM 0 HG23 THR A 35 106.124 -4.099 4.797 1.00 0.00 H new ATOM 543 N THR A 36 108.082 -7.461 7.717 1.00 0.00 N ATOM 544 CA THR A 36 109.081 -8.534 7.961 1.00 0.00 C ATOM 545 C THR A 36 109.641 -9.004 6.620 1.00 0.00 C ATOM 546 O THR A 36 108.988 -8.910 5.599 1.00 0.00 O ATOM 547 CB THR A 36 108.401 -9.714 8.664 1.00 0.00 C ATOM 548 OG1 THR A 36 107.059 -9.821 8.211 1.00 0.00 O ATOM 549 CG2 THR A 36 108.414 -9.496 10.178 1.00 0.00 C ATOM 0 H THR A 36 107.134 -7.673 8.029 1.00 0.00 H new ATOM 0 HA THR A 36 109.886 -8.152 8.588 1.00 0.00 H new ATOM 0 HB THR A 36 108.941 -10.632 8.431 1.00 0.00 H new ATOM 0 HG1 THR A 36 106.476 -9.284 8.787 1.00 0.00 H new ATOM 0 HG21 THR A 36 107.929 -10.339 10.671 1.00 0.00 H new ATOM 0 HG22 THR A 36 109.444 -9.416 10.525 1.00 0.00 H new ATOM 0 HG23 THR A 36 107.878 -8.578 10.418 1.00 0.00 H new ATOM 557 N LYS A 37 110.838 -9.513 6.607 1.00 0.00 N ATOM 558 CA LYS A 37 111.423 -9.991 5.330 1.00 0.00 C ATOM 559 C LYS A 37 110.446 -10.962 4.660 1.00 0.00 C ATOM 560 O LYS A 37 110.281 -10.966 3.456 1.00 0.00 O ATOM 561 CB LYS A 37 112.736 -10.720 5.629 1.00 0.00 C ATOM 562 CG LYS A 37 112.434 -12.082 6.262 1.00 0.00 C ATOM 563 CD LYS A 37 113.728 -12.690 6.812 1.00 0.00 C ATOM 564 CE LYS A 37 113.538 -14.193 7.022 1.00 0.00 C ATOM 565 NZ LYS A 37 114.868 -14.840 7.204 1.00 0.00 N ATOM 0 H LYS A 37 111.436 -9.618 7.426 1.00 0.00 H new ATOM 0 HA LYS A 37 111.610 -9.146 4.667 1.00 0.00 H new ATOM 0 HB2 LYS A 37 113.307 -10.853 4.710 1.00 0.00 H new ATOM 0 HB3 LYS A 37 113.350 -10.123 6.303 1.00 0.00 H new ATOM 0 HG2 LYS A 37 111.704 -11.968 7.064 1.00 0.00 H new ATOM 0 HG3 LYS A 37 111.993 -12.749 5.521 1.00 0.00 H new ATOM 0 HD2 LYS A 37 114.550 -12.510 6.119 1.00 0.00 H new ATOM 0 HD3 LYS A 37 113.995 -12.212 7.754 1.00 0.00 H new ATOM 0 HE2 LYS A 37 112.911 -14.373 7.896 1.00 0.00 H new ATOM 0 HE3 LYS A 37 113.024 -14.629 6.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 114.740 -15.862 7.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 115.451 -14.679 6.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 115.342 -14.431 8.034 1.00 0.00 H new ATOM 579 N GLU A 38 109.810 -11.798 5.439 1.00 0.00 N ATOM 580 CA GLU A 38 108.859 -12.788 4.870 1.00 0.00 C ATOM 581 C GLU A 38 107.627 -12.083 4.293 1.00 0.00 C ATOM 582 O GLU A 38 107.018 -12.560 3.357 1.00 0.00 O ATOM 583 CB GLU A 38 108.425 -13.763 5.967 1.00 0.00 C ATOM 584 CG GLU A 38 107.452 -13.066 6.920 1.00 0.00 C ATOM 585 CD GLU A 38 106.028 -13.546 6.633 1.00 0.00 C ATOM 586 OE1 GLU A 38 105.610 -13.445 5.492 1.00 0.00 O ATOM 587 OE2 GLU A 38 105.382 -14.009 7.559 1.00 0.00 O ATOM 0 H GLU A 38 109.912 -11.834 6.453 1.00 0.00 H new ATOM 0 HA GLU A 38 109.356 -13.332 4.067 1.00 0.00 H new ATOM 0 HB2 GLU A 38 107.950 -14.638 5.523 1.00 0.00 H new ATOM 0 HB3 GLU A 38 109.296 -14.118 6.517 1.00 0.00 H new ATOM 0 HG2 GLU A 38 107.720 -13.284 7.954 1.00 0.00 H new ATOM 0 HG3 GLU A 38 107.515 -11.985 6.795 1.00 0.00 H new ATOM 594 N LYS A 39 107.248 -10.960 4.837 1.00 0.00 N ATOM 595 CA LYS A 39 106.051 -10.253 4.300 1.00 0.00 C ATOM 596 C LYS A 39 106.392 -9.661 2.933 1.00 0.00 C ATOM 597 O LYS A 39 105.782 -9.990 1.935 1.00 0.00 O ATOM 598 CB LYS A 39 105.634 -9.139 5.262 1.00 0.00 C ATOM 599 CG LYS A 39 104.586 -8.245 4.593 1.00 0.00 C ATOM 600 CD LYS A 39 103.246 -8.406 5.311 1.00 0.00 C ATOM 601 CE LYS A 39 103.345 -7.810 6.715 1.00 0.00 C ATOM 602 NZ LYS A 39 102.395 -8.516 7.622 1.00 0.00 N ATOM 0 H LYS A 39 107.710 -10.504 5.624 1.00 0.00 H new ATOM 0 HA LYS A 39 105.225 -10.956 4.196 1.00 0.00 H new ATOM 0 HB2 LYS A 39 105.228 -9.569 6.178 1.00 0.00 H new ATOM 0 HB3 LYS A 39 106.504 -8.546 5.546 1.00 0.00 H new ATOM 0 HG2 LYS A 39 104.906 -7.204 4.627 1.00 0.00 H new ATOM 0 HG3 LYS A 39 104.482 -8.513 3.542 1.00 0.00 H new ATOM 0 HD2 LYS A 39 102.457 -7.907 4.748 1.00 0.00 H new ATOM 0 HD3 LYS A 39 102.978 -9.461 5.370 1.00 0.00 H new ATOM 0 HE2 LYS A 39 104.363 -7.906 7.092 1.00 0.00 H new ATOM 0 HE3 LYS A 39 103.114 -6.745 6.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 102.437 -8.089 8.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 101.429 -8.431 7.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 102.656 -9.521 7.684 1.00 0.00 H new ATOM 616 N ALA A 40 107.365 -8.793 2.873 1.00 0.00 N ATOM 617 CA ALA A 40 107.740 -8.194 1.562 1.00 0.00 C ATOM 618 C ALA A 40 108.010 -9.315 0.557 1.00 0.00 C ATOM 619 O ALA A 40 107.921 -9.124 -0.638 1.00 0.00 O ATOM 620 CB ALA A 40 109.005 -7.349 1.725 1.00 0.00 C ATOM 0 H ALA A 40 107.914 -8.474 3.671 1.00 0.00 H new ATOM 0 HA ALA A 40 106.926 -7.563 1.205 1.00 0.00 H new ATOM 0 HB1 ALA A 40 109.277 -6.912 0.764 1.00 0.00 H new ATOM 0 HB2 ALA A 40 108.820 -6.553 2.446 1.00 0.00 H new ATOM 0 HB3 ALA A 40 109.820 -7.979 2.081 1.00 0.00 H new ATOM 626 N ALA A 41 108.344 -10.482 1.034 1.00 0.00 N ATOM 627 CA ALA A 41 108.622 -11.611 0.103 1.00 0.00 C ATOM 628 C ALA A 41 107.360 -11.937 -0.696 1.00 0.00 C ATOM 629 O ALA A 41 107.408 -12.172 -1.887 1.00 0.00 O ATOM 630 CB ALA A 41 109.050 -12.841 0.907 1.00 0.00 C ATOM 0 H ALA A 41 108.436 -10.702 2.026 1.00 0.00 H new ATOM 0 HA ALA A 41 109.421 -11.328 -0.582 1.00 0.00 H new ATOM 0 HB1 ALA A 41 109.254 -13.668 0.226 1.00 0.00 H new ATOM 0 HB2 ALA A 41 109.951 -12.609 1.476 1.00 0.00 H new ATOM 0 HB3 ALA A 41 108.251 -13.124 1.592 1.00 0.00 H new ATOM 636 N LEU A 42 106.229 -11.953 -0.048 1.00 0.00 N ATOM 637 CA LEU A 42 104.960 -12.265 -0.763 1.00 0.00 C ATOM 638 C LEU A 42 104.504 -11.044 -1.567 1.00 0.00 C ATOM 639 O LEU A 42 104.322 -11.113 -2.765 1.00 0.00 O ATOM 640 CB LEU A 42 103.880 -12.638 0.255 1.00 0.00 C ATOM 641 CG LEU A 42 104.165 -14.032 0.817 1.00 0.00 C ATOM 642 CD1 LEU A 42 103.566 -14.152 2.220 1.00 0.00 C ATOM 643 CD2 LEU A 42 103.536 -15.088 -0.096 1.00 0.00 C ATOM 0 H LEU A 42 106.128 -11.763 0.949 1.00 0.00 H new ATOM 0 HA LEU A 42 105.126 -13.101 -1.442 1.00 0.00 H new ATOM 0 HB2 LEU A 42 103.859 -11.906 1.063 1.00 0.00 H new ATOM 0 HB3 LEU A 42 102.898 -12.619 -0.218 1.00 0.00 H new ATOM 0 HG LEU A 42 105.243 -14.188 0.868 1.00 0.00 H new ATOM 0 HD11 LEU A 42 103.770 -15.146 2.619 1.00 0.00 H new ATOM 0 HD12 LEU A 42 104.012 -13.401 2.872 1.00 0.00 H new ATOM 0 HD13 LEU A 42 102.488 -13.995 2.170 1.00 0.00 H new ATOM 0 HD21 LEU A 42 103.739 -16.082 0.304 1.00 0.00 H new ATOM 0 HD22 LEU A 42 102.459 -14.930 -0.147 1.00 0.00 H new ATOM 0 HD23 LEU A 42 103.962 -15.005 -1.096 1.00 0.00 H new ATOM 655 N LEU A 43 104.312 -9.926 -0.918 1.00 0.00 N ATOM 656 CA LEU A 43 103.863 -8.705 -1.648 1.00 0.00 C ATOM 657 C LEU A 43 104.761 -8.464 -2.856 1.00 0.00 C ATOM 658 O LEU A 43 104.316 -8.461 -3.984 1.00 0.00 O ATOM 659 CB LEU A 43 103.930 -7.500 -0.712 1.00 0.00 C ATOM 660 CG LEU A 43 103.161 -7.815 0.570 1.00 0.00 C ATOM 661 CD1 LEU A 43 102.949 -6.528 1.369 1.00 0.00 C ATOM 662 CD2 LEU A 43 101.803 -8.429 0.209 1.00 0.00 C ATOM 0 H LEU A 43 104.447 -9.806 0.086 1.00 0.00 H new ATOM 0 HA LEU A 43 102.837 -8.846 -1.988 1.00 0.00 H new ATOM 0 HB2 LEU A 43 104.968 -7.263 -0.479 1.00 0.00 H new ATOM 0 HB3 LEU A 43 103.505 -6.622 -1.199 1.00 0.00 H new ATOM 0 HG LEU A 43 103.730 -8.522 1.173 1.00 0.00 H new ATOM 0 HD11 LEU A 43 102.400 -6.754 2.283 1.00 0.00 H new ATOM 0 HD12 LEU A 43 103.916 -6.094 1.624 1.00 0.00 H new ATOM 0 HD13 LEU A 43 102.379 -5.818 0.770 1.00 0.00 H new ATOM 0 HD21 LEU A 43 101.252 -8.655 1.122 1.00 0.00 H new ATOM 0 HD22 LEU A 43 101.233 -7.722 -0.394 1.00 0.00 H new ATOM 0 HD23 LEU A 43 101.958 -9.347 -0.358 1.00 0.00 H new ATOM 674 N TYR A 44 106.023 -8.264 -2.628 1.00 0.00 N ATOM 675 CA TYR A 44 106.953 -8.029 -3.765 1.00 0.00 C ATOM 676 C TYR A 44 106.654 -9.052 -4.866 1.00 0.00 C ATOM 677 O TYR A 44 106.557 -8.723 -6.030 1.00 0.00 O ATOM 678 CB TYR A 44 108.398 -8.186 -3.269 1.00 0.00 C ATOM 679 CG TYR A 44 109.382 -7.783 -4.349 1.00 0.00 C ATOM 680 CD1 TYR A 44 108.929 -7.305 -5.584 1.00 0.00 C ATOM 681 CD2 TYR A 44 110.758 -7.905 -4.115 1.00 0.00 C ATOM 682 CE1 TYR A 44 109.843 -6.952 -6.577 1.00 0.00 C ATOM 683 CE2 TYR A 44 111.673 -7.545 -5.113 1.00 0.00 C ATOM 684 CZ TYR A 44 111.215 -7.069 -6.343 1.00 0.00 C ATOM 685 OH TYR A 44 112.116 -6.718 -7.327 1.00 0.00 O ATOM 0 H TYR A 44 106.454 -8.253 -1.704 1.00 0.00 H new ATOM 0 HA TYR A 44 106.822 -7.023 -4.165 1.00 0.00 H new ATOM 0 HB2 TYR A 44 108.552 -7.571 -2.382 1.00 0.00 H new ATOM 0 HB3 TYR A 44 108.576 -9.220 -2.975 1.00 0.00 H new ATOM 0 HD1 TYR A 44 107.869 -7.209 -5.769 1.00 0.00 H new ATOM 0 HD2 TYR A 44 111.113 -8.277 -3.165 1.00 0.00 H new ATOM 0 HE1 TYR A 44 109.489 -6.587 -7.530 1.00 0.00 H new ATOM 0 HE2 TYR A 44 112.734 -7.636 -4.931 1.00 0.00 H new ATOM 0 HH TYR A 44 112.192 -5.742 -7.367 1.00 0.00 H new ATOM 695 N LYS A 45 106.490 -10.292 -4.505 1.00 0.00 N ATOM 696 CA LYS A 45 106.188 -11.328 -5.531 1.00 0.00 C ATOM 697 C LYS A 45 104.940 -10.929 -6.328 1.00 0.00 C ATOM 698 O LYS A 45 104.899 -11.058 -7.536 1.00 0.00 O ATOM 699 CB LYS A 45 105.940 -12.668 -4.836 1.00 0.00 C ATOM 700 CG LYS A 45 105.729 -13.756 -5.889 1.00 0.00 C ATOM 701 CD LYS A 45 106.887 -14.753 -5.830 1.00 0.00 C ATOM 702 CE LYS A 45 106.988 -15.497 -7.162 1.00 0.00 C ATOM 703 NZ LYS A 45 108.276 -16.244 -7.217 1.00 0.00 N ATOM 0 H LYS A 45 106.552 -10.634 -3.546 1.00 0.00 H new ATOM 0 HA LYS A 45 107.034 -11.415 -6.213 1.00 0.00 H new ATOM 0 HB2 LYS A 45 106.788 -12.922 -4.200 1.00 0.00 H new ATOM 0 HB3 LYS A 45 105.065 -12.598 -4.189 1.00 0.00 H new ATOM 0 HG2 LYS A 45 104.784 -14.269 -5.713 1.00 0.00 H new ATOM 0 HG3 LYS A 45 105.669 -13.310 -6.882 1.00 0.00 H new ATOM 0 HD2 LYS A 45 107.821 -14.230 -5.622 1.00 0.00 H new ATOM 0 HD3 LYS A 45 106.730 -15.461 -5.017 1.00 0.00 H new ATOM 0 HE2 LYS A 45 106.151 -16.186 -7.270 1.00 0.00 H new ATOM 0 HE3 LYS A 45 106.929 -14.791 -7.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 108.345 -16.750 -8.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 109.069 -15.576 -7.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 108.314 -16.928 -6.434 1.00 0.00 H new ATOM 717 N LYS A 46 103.915 -10.462 -5.665 1.00 0.00 N ATOM 718 CA LYS A 46 102.668 -10.078 -6.391 1.00 0.00 C ATOM 719 C LYS A 46 102.814 -8.686 -7.020 1.00 0.00 C ATOM 720 O LYS A 46 102.863 -8.547 -8.225 1.00 0.00 O ATOM 721 CB LYS A 46 101.497 -10.064 -5.407 1.00 0.00 C ATOM 722 CG LYS A 46 100.704 -11.365 -5.541 1.00 0.00 C ATOM 723 CD LYS A 46 99.659 -11.446 -4.425 1.00 0.00 C ATOM 724 CE LYS A 46 100.154 -12.392 -3.329 1.00 0.00 C ATOM 725 NZ LYS A 46 99.018 -13.225 -2.840 1.00 0.00 N ATOM 0 H LYS A 46 103.887 -10.330 -4.654 1.00 0.00 H new ATOM 0 HA LYS A 46 102.487 -10.804 -7.184 1.00 0.00 H new ATOM 0 HB2 LYS A 46 101.866 -9.954 -4.387 1.00 0.00 H new ATOM 0 HB3 LYS A 46 100.851 -9.209 -5.606 1.00 0.00 H new ATOM 0 HG2 LYS A 46 100.215 -11.406 -6.514 1.00 0.00 H new ATOM 0 HG3 LYS A 46 101.377 -12.221 -5.486 1.00 0.00 H new ATOM 0 HD2 LYS A 46 99.478 -10.455 -4.010 1.00 0.00 H new ATOM 0 HD3 LYS A 46 98.710 -11.802 -4.826 1.00 0.00 H new ATOM 0 HE2 LYS A 46 100.947 -13.031 -3.717 1.00 0.00 H new ATOM 0 HE3 LYS A 46 100.580 -11.820 -2.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 99.354 -13.868 -2.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 98.275 -12.607 -2.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 98.631 -13.781 -3.629 1.00 0.00 H new ATOM 739 N ILE A 47 102.855 -7.659 -6.207 1.00 0.00 N ATOM 740 CA ILE A 47 102.969 -6.260 -6.734 1.00 0.00 C ATOM 741 C ILE A 47 103.802 -6.214 -8.021 1.00 0.00 C ATOM 742 O ILE A 47 103.512 -5.461 -8.926 1.00 0.00 O ATOM 743 CB ILE A 47 103.642 -5.366 -5.696 1.00 0.00 C ATOM 744 CG1 ILE A 47 102.748 -5.246 -4.445 1.00 0.00 C ATOM 745 CG2 ILE A 47 103.879 -3.989 -6.321 1.00 0.00 C ATOM 746 CD1 ILE A 47 101.857 -3.997 -4.528 1.00 0.00 C ATOM 0 H ILE A 47 102.814 -7.729 -5.190 1.00 0.00 H new ATOM 0 HA ILE A 47 101.960 -5.907 -6.948 1.00 0.00 H new ATOM 0 HB ILE A 47 104.595 -5.797 -5.391 1.00 0.00 H new ATOM 0 HG12 ILE A 47 102.126 -6.136 -4.350 1.00 0.00 H new ATOM 0 HG13 ILE A 47 103.370 -5.195 -3.551 1.00 0.00 H new ATOM 0 HG21 ILE A 47 104.360 -3.337 -5.592 1.00 0.00 H new ATOM 0 HG22 ILE A 47 104.522 -4.092 -7.195 1.00 0.00 H new ATOM 0 HG23 ILE A 47 102.925 -3.557 -6.621 1.00 0.00 H new ATOM 0 HD11 ILE A 47 101.235 -3.933 -3.635 1.00 0.00 H new ATOM 0 HD12 ILE A 47 102.483 -3.107 -4.598 1.00 0.00 H new ATOM 0 HD13 ILE A 47 101.220 -4.063 -5.410 1.00 0.00 H new ATOM 758 N MET A 48 104.846 -6.990 -8.104 1.00 0.00 N ATOM 759 CA MET A 48 105.698 -6.956 -9.330 1.00 0.00 C ATOM 760 C MET A 48 104.818 -6.934 -10.585 1.00 0.00 C ATOM 761 O MET A 48 104.935 -6.053 -11.414 1.00 0.00 O ATOM 762 CB MET A 48 106.601 -8.195 -9.361 1.00 0.00 C ATOM 763 CG MET A 48 107.915 -7.898 -8.629 1.00 0.00 C ATOM 764 SD MET A 48 109.185 -9.084 -9.147 1.00 0.00 S ATOM 765 CE MET A 48 109.730 -9.597 -7.495 1.00 0.00 C ATOM 0 H MET A 48 105.147 -7.644 -7.381 1.00 0.00 H new ATOM 0 HA MET A 48 106.311 -6.055 -9.310 1.00 0.00 H new ATOM 0 HB2 MET A 48 106.094 -9.038 -8.890 1.00 0.00 H new ATOM 0 HB3 MET A 48 106.805 -8.482 -10.393 1.00 0.00 H new ATOM 0 HG2 MET A 48 108.242 -6.882 -8.847 1.00 0.00 H new ATOM 0 HG3 MET A 48 107.764 -7.960 -7.551 1.00 0.00 H new ATOM 0 HE1 MET A 48 110.668 -9.098 -7.250 1.00 0.00 H new ATOM 0 HE2 MET A 48 108.972 -9.325 -6.761 1.00 0.00 H new ATOM 0 HE3 MET A 48 109.878 -10.677 -7.480 1.00 0.00 H new ATOM 775 N GLU A 49 103.947 -7.892 -10.743 1.00 0.00 N ATOM 776 CA GLU A 49 103.082 -7.911 -11.959 1.00 0.00 C ATOM 777 C GLU A 49 101.685 -7.381 -11.623 1.00 0.00 C ATOM 778 O GLU A 49 100.847 -7.231 -12.489 1.00 0.00 O ATOM 779 CB GLU A 49 102.968 -9.343 -12.483 1.00 0.00 C ATOM 780 CG GLU A 49 102.716 -9.315 -13.993 1.00 0.00 C ATOM 781 CD GLU A 49 101.600 -10.301 -14.344 1.00 0.00 C ATOM 782 OE1 GLU A 49 101.845 -11.493 -14.270 1.00 0.00 O ATOM 783 OE2 GLU A 49 100.519 -9.846 -14.682 1.00 0.00 O ATOM 0 H GLU A 49 103.796 -8.659 -10.088 1.00 0.00 H new ATOM 0 HA GLU A 49 103.531 -7.274 -12.721 1.00 0.00 H new ATOM 0 HB2 GLU A 49 103.883 -9.895 -12.266 1.00 0.00 H new ATOM 0 HB3 GLU A 49 102.154 -9.863 -11.977 1.00 0.00 H new ATOM 0 HG2 GLU A 49 102.439 -8.309 -14.307 1.00 0.00 H new ATOM 0 HG3 GLU A 49 103.628 -9.576 -14.529 1.00 0.00 H new ATOM 790 N LYS A 50 101.424 -7.094 -10.378 1.00 0.00 N ATOM 791 CA LYS A 50 100.077 -6.574 -10.008 1.00 0.00 C ATOM 792 C LYS A 50 100.030 -5.062 -10.246 1.00 0.00 C ATOM 793 O LYS A 50 98.973 -4.474 -10.358 1.00 0.00 O ATOM 794 CB LYS A 50 99.797 -6.881 -8.536 1.00 0.00 C ATOM 795 CG LYS A 50 98.457 -6.267 -8.127 1.00 0.00 C ATOM 796 CD LYS A 50 97.612 -7.304 -7.382 1.00 0.00 C ATOM 797 CE LYS A 50 98.454 -7.974 -6.292 1.00 0.00 C ATOM 798 NZ LYS A 50 98.410 -9.454 -6.474 1.00 0.00 N ATOM 0 H LYS A 50 102.081 -7.196 -9.604 1.00 0.00 H new ATOM 0 HA LYS A 50 99.317 -7.056 -10.623 1.00 0.00 H new ATOM 0 HB2 LYS A 50 99.778 -7.959 -8.377 1.00 0.00 H new ATOM 0 HB3 LYS A 50 100.597 -6.481 -7.913 1.00 0.00 H new ATOM 0 HG2 LYS A 50 98.625 -5.398 -7.491 1.00 0.00 H new ATOM 0 HG3 LYS A 50 97.923 -5.917 -9.011 1.00 0.00 H new ATOM 0 HD2 LYS A 50 96.740 -6.824 -6.937 1.00 0.00 H new ATOM 0 HD3 LYS A 50 97.241 -8.054 -8.081 1.00 0.00 H new ATOM 0 HE2 LYS A 50 99.484 -7.620 -6.343 1.00 0.00 H new ATOM 0 HE3 LYS A 50 98.074 -7.706 -5.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 98.270 -9.913 -5.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 97.624 -9.703 -7.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 99.306 -9.779 -6.890 1.00 0.00 H new ATOM 812 N TYR A 51 101.169 -4.427 -10.326 1.00 0.00 N ATOM 813 CA TYR A 51 101.189 -2.956 -10.558 1.00 0.00 C ATOM 814 C TYR A 51 102.301 -2.586 -11.543 1.00 0.00 C ATOM 815 O TYR A 51 102.517 -1.425 -11.820 1.00 0.00 O ATOM 816 CB TYR A 51 101.460 -2.235 -9.237 1.00 0.00 C ATOM 817 CG TYR A 51 100.209 -2.221 -8.403 1.00 0.00 C ATOM 818 CD1 TYR A 51 99.296 -1.170 -8.531 1.00 0.00 C ATOM 819 CD2 TYR A 51 99.961 -3.263 -7.508 1.00 0.00 C ATOM 820 CE1 TYR A 51 98.132 -1.159 -7.764 1.00 0.00 C ATOM 821 CE2 TYR A 51 98.795 -3.251 -6.734 1.00 0.00 C ATOM 822 CZ TYR A 51 97.879 -2.199 -6.861 1.00 0.00 C ATOM 823 OH TYR A 51 96.727 -2.190 -6.101 1.00 0.00 O ATOM 0 H TYR A 51 102.086 -4.865 -10.240 1.00 0.00 H new ATOM 0 HA TYR A 51 100.223 -2.658 -10.966 1.00 0.00 H new ATOM 0 HB2 TYR A 51 102.264 -2.735 -8.697 1.00 0.00 H new ATOM 0 HB3 TYR A 51 101.792 -1.215 -9.430 1.00 0.00 H new ATOM 0 HD1 TYR A 51 99.493 -0.366 -9.225 1.00 0.00 H new ATOM 0 HD2 TYR A 51 100.666 -4.075 -7.413 1.00 0.00 H new ATOM 0 HE1 TYR A 51 97.425 -0.349 -7.866 1.00 0.00 H new ATOM 0 HE2 TYR A 51 98.601 -4.054 -6.038 1.00 0.00 H new ATOM 0 HH TYR A 51 96.707 -2.985 -5.528 1.00 0.00 H new ATOM 833 N SER A 52 103.032 -3.541 -12.059 1.00 0.00 N ATOM 834 CA SER A 52 104.139 -3.177 -12.991 1.00 0.00 C ATOM 835 C SER A 52 104.940 -2.057 -12.326 1.00 0.00 C ATOM 836 O SER A 52 105.310 -1.076 -12.939 1.00 0.00 O ATOM 837 CB SER A 52 103.561 -2.685 -14.320 1.00 0.00 C ATOM 838 OG SER A 52 102.156 -2.512 -14.187 1.00 0.00 O ATOM 0 H SER A 52 102.914 -4.538 -11.880 1.00 0.00 H new ATOM 0 HA SER A 52 104.773 -4.040 -13.195 1.00 0.00 H new ATOM 0 HB2 SER A 52 104.029 -1.743 -14.607 1.00 0.00 H new ATOM 0 HB3 SER A 52 103.777 -3.403 -15.111 1.00 0.00 H new ATOM 0 HG SER A 52 101.784 -2.195 -15.036 1.00 0.00 H new ATOM 844 N VAL A 53 105.171 -2.204 -11.051 1.00 0.00 N ATOM 845 CA VAL A 53 105.906 -1.171 -10.271 1.00 0.00 C ATOM 846 C VAL A 53 107.076 -0.585 -11.066 1.00 0.00 C ATOM 847 O VAL A 53 107.750 -1.272 -11.809 1.00 0.00 O ATOM 848 CB VAL A 53 106.436 -1.825 -8.999 1.00 0.00 C ATOM 849 CG1 VAL A 53 105.272 -2.086 -8.044 1.00 0.00 C ATOM 850 CG2 VAL A 53 107.098 -3.155 -9.358 1.00 0.00 C ATOM 0 H VAL A 53 104.875 -3.014 -10.506 1.00 0.00 H new ATOM 0 HA VAL A 53 105.223 -0.353 -10.040 1.00 0.00 H new ATOM 0 HB VAL A 53 107.163 -1.167 -8.522 1.00 0.00 H new ATOM 0 HG11 VAL A 53 105.646 -2.554 -7.133 1.00 0.00 H new ATOM 0 HG12 VAL A 53 104.787 -1.142 -7.795 1.00 0.00 H new ATOM 0 HG13 VAL A 53 104.551 -2.749 -8.522 1.00 0.00 H new ATOM 0 HG21 VAL A 53 107.479 -3.628 -8.453 1.00 0.00 H new ATOM 0 HG22 VAL A 53 106.366 -3.811 -9.829 1.00 0.00 H new ATOM 0 HG23 VAL A 53 107.922 -2.976 -10.049 1.00 0.00 H new ATOM 860 N THR A 54 107.332 0.688 -10.890 1.00 0.00 N ATOM 861 CA THR A 54 108.469 1.336 -11.605 1.00 0.00 C ATOM 862 C THR A 54 109.775 0.777 -11.043 1.00 0.00 C ATOM 863 O THR A 54 110.770 0.667 -11.730 1.00 0.00 O ATOM 864 CB THR A 54 108.422 2.850 -11.380 1.00 0.00 C ATOM 865 OG1 THR A 54 107.086 3.310 -11.527 1.00 0.00 O ATOM 866 CG2 THR A 54 109.319 3.548 -12.405 1.00 0.00 C ATOM 0 H THR A 54 106.799 1.307 -10.279 1.00 0.00 H new ATOM 0 HA THR A 54 108.403 1.134 -12.674 1.00 0.00 H new ATOM 0 HB THR A 54 108.776 3.078 -10.375 1.00 0.00 H new ATOM 0 HG1 THR A 54 107.056 4.279 -11.381 1.00 0.00 H new ATOM 0 HG21 THR A 54 109.285 4.626 -12.244 1.00 0.00 H new ATOM 0 HG22 THR A 54 110.344 3.196 -12.291 1.00 0.00 H new ATOM 0 HG23 THR A 54 108.967 3.320 -13.411 1.00 0.00 H new ATOM 874 N PHE A 55 109.763 0.411 -9.792 1.00 0.00 N ATOM 875 CA PHE A 55 110.982 -0.158 -9.156 1.00 0.00 C ATOM 876 C PHE A 55 110.601 -0.715 -7.783 1.00 0.00 C ATOM 877 O PHE A 55 110.218 0.017 -6.893 1.00 0.00 O ATOM 878 CB PHE A 55 112.047 0.934 -8.988 1.00 0.00 C ATOM 879 CG PHE A 55 113.060 0.481 -7.962 1.00 0.00 C ATOM 880 CD1 PHE A 55 113.956 -0.545 -8.275 1.00 0.00 C ATOM 881 CD2 PHE A 55 113.084 1.069 -6.693 1.00 0.00 C ATOM 882 CE1 PHE A 55 114.875 -0.986 -7.321 1.00 0.00 C ATOM 883 CE2 PHE A 55 114.008 0.633 -5.738 1.00 0.00 C ATOM 884 CZ PHE A 55 114.904 -0.396 -6.052 1.00 0.00 C ATOM 0 H PHE A 55 108.952 0.483 -9.177 1.00 0.00 H new ATOM 0 HA PHE A 55 111.388 -0.950 -9.785 1.00 0.00 H new ATOM 0 HB2 PHE A 55 112.538 1.130 -9.941 1.00 0.00 H new ATOM 0 HB3 PHE A 55 111.582 1.868 -8.671 1.00 0.00 H new ATOM 0 HD1 PHE A 55 113.937 -0.997 -9.256 1.00 0.00 H new ATOM 0 HD2 PHE A 55 112.389 1.860 -6.451 1.00 0.00 H new ATOM 0 HE1 PHE A 55 115.564 -1.782 -7.562 1.00 0.00 H new ATOM 0 HE2 PHE A 55 114.030 1.090 -4.759 1.00 0.00 H new ATOM 0 HZ PHE A 55 115.617 -0.734 -5.315 1.00 0.00 H new ATOM 894 N ILE A 56 110.704 -1.997 -7.599 1.00 0.00 N ATOM 895 CA ILE A 56 110.343 -2.577 -6.280 1.00 0.00 C ATOM 896 C ILE A 56 111.499 -3.433 -5.762 1.00 0.00 C ATOM 897 O ILE A 56 111.837 -4.450 -6.333 1.00 0.00 O ATOM 898 CB ILE A 56 109.089 -3.426 -6.436 1.00 0.00 C ATOM 899 CG1 ILE A 56 108.880 -4.263 -5.173 1.00 0.00 C ATOM 900 CG2 ILE A 56 109.254 -4.339 -7.646 1.00 0.00 C ATOM 901 CD1 ILE A 56 107.434 -4.755 -5.121 1.00 0.00 C ATOM 0 H ILE A 56 111.021 -2.666 -8.300 1.00 0.00 H new ATOM 0 HA ILE A 56 110.150 -1.778 -5.564 1.00 0.00 H new ATOM 0 HB ILE A 56 108.221 -2.784 -6.583 1.00 0.00 H new ATOM 0 HG12 ILE A 56 109.564 -5.111 -5.169 1.00 0.00 H new ATOM 0 HG13 ILE A 56 109.105 -3.668 -4.288 1.00 0.00 H new ATOM 0 HG21 ILE A 56 108.360 -4.951 -7.765 1.00 0.00 H new ATOM 0 HG22 ILE A 56 109.401 -3.734 -8.541 1.00 0.00 H new ATOM 0 HG23 ILE A 56 110.119 -4.986 -7.499 1.00 0.00 H new ATOM 0 HD11 ILE A 56 107.285 -5.352 -4.221 1.00 0.00 H new ATOM 0 HD12 ILE A 56 106.759 -3.899 -5.105 1.00 0.00 H new ATOM 0 HD13 ILE A 56 107.226 -5.365 -6.000 1.00 0.00 H new ATOM 913 N SER A 57 112.121 -3.019 -4.691 1.00 0.00 N ATOM 914 CA SER A 57 113.269 -3.799 -4.152 1.00 0.00 C ATOM 915 C SER A 57 113.045 -4.141 -2.680 1.00 0.00 C ATOM 916 O SER A 57 112.463 -3.381 -1.932 1.00 0.00 O ATOM 917 CB SER A 57 114.532 -2.951 -4.261 1.00 0.00 C ATOM 918 OG SER A 57 115.665 -3.750 -3.948 1.00 0.00 O ATOM 0 H SER A 57 111.884 -2.176 -4.168 1.00 0.00 H new ATOM 0 HA SER A 57 113.366 -4.722 -4.724 1.00 0.00 H new ATOM 0 HB2 SER A 57 114.626 -2.546 -5.269 1.00 0.00 H new ATOM 0 HB3 SER A 57 114.473 -2.102 -3.581 1.00 0.00 H new ATOM 0 HG SER A 57 115.407 -4.695 -3.942 1.00 0.00 H new ATOM 924 N ARG A 58 113.543 -5.267 -2.255 1.00 0.00 N ATOM 925 CA ARG A 58 113.411 -5.655 -0.827 1.00 0.00 C ATOM 926 C ARG A 58 114.759 -5.389 -0.153 1.00 0.00 C ATOM 927 O ARG A 58 115.729 -6.082 -0.400 1.00 0.00 O ATOM 928 CB ARG A 58 113.063 -7.142 -0.722 1.00 0.00 C ATOM 929 CG ARG A 58 111.665 -7.299 -0.119 1.00 0.00 C ATOM 930 CD ARG A 58 111.435 -8.761 0.266 1.00 0.00 C ATOM 931 NE ARG A 58 112.421 -9.162 1.309 1.00 0.00 N ATOM 932 CZ ARG A 58 112.582 -10.423 1.608 1.00 0.00 C ATOM 933 NH1 ARG A 58 111.866 -11.337 1.012 1.00 0.00 N ATOM 934 NH2 ARG A 58 113.464 -10.771 2.506 1.00 0.00 N ATOM 0 H ARG A 58 114.039 -5.939 -2.841 1.00 0.00 H new ATOM 0 HA ARG A 58 112.619 -5.083 -0.344 1.00 0.00 H new ATOM 0 HB2 ARG A 58 113.099 -7.605 -1.708 1.00 0.00 H new ATOM 0 HB3 ARG A 58 113.798 -7.655 -0.102 1.00 0.00 H new ATOM 0 HG2 ARG A 58 111.562 -6.661 0.759 1.00 0.00 H new ATOM 0 HG3 ARG A 58 110.910 -6.978 -0.837 1.00 0.00 H new ATOM 0 HD2 ARG A 58 110.420 -8.894 0.640 1.00 0.00 H new ATOM 0 HD3 ARG A 58 111.538 -9.400 -0.611 1.00 0.00 H new ATOM 0 HE ARG A 58 112.971 -8.450 1.790 1.00 0.00 H new ATOM 0 HH11 ARG A 58 111.177 -11.068 0.309 1.00 0.00 H new ATOM 0 HH12 ARG A 58 111.995 -12.321 1.249 1.00 0.00 H new ATOM 0 HH21 ARG A 58 114.025 -10.058 2.972 1.00 0.00 H new ATOM 0 HH22 ARG A 58 113.591 -11.755 2.741 1.00 0.00 H new ATOM 948 N HIS A 59 114.842 -4.375 0.666 1.00 0.00 N ATOM 949 CA HIS A 59 116.147 -4.058 1.319 1.00 0.00 C ATOM 950 C HIS A 59 116.164 -4.569 2.760 1.00 0.00 C ATOM 951 O HIS A 59 115.149 -4.940 3.315 1.00 0.00 O ATOM 952 CB HIS A 59 116.359 -2.544 1.320 1.00 0.00 C ATOM 953 CG HIS A 59 116.307 -2.028 -0.093 1.00 0.00 C ATOM 954 ND1 HIS A 59 117.343 -2.233 -0.993 1.00 0.00 N ATOM 955 CD2 HIS A 59 115.353 -1.315 -0.775 1.00 0.00 C ATOM 956 CE1 HIS A 59 116.989 -1.655 -2.155 1.00 0.00 C ATOM 957 NE2 HIS A 59 115.786 -1.081 -2.077 1.00 0.00 N ATOM 0 H HIS A 59 114.069 -3.756 0.910 1.00 0.00 H new ATOM 0 HA HIS A 59 116.945 -4.547 0.761 1.00 0.00 H new ATOM 0 HB2 HIS A 59 115.592 -2.059 1.924 1.00 0.00 H new ATOM 0 HB3 HIS A 59 117.321 -2.301 1.772 1.00 0.00 H new ATOM 0 HD2 HIS A 59 114.410 -0.986 -0.364 1.00 0.00 H new ATOM 0 HE1 HIS A 59 117.603 -1.655 -3.043 1.00 0.00 H new ATOM 0 HE2 HIS A 59 115.291 -0.579 -2.814 1.00 0.00 H new ATOM 965 N ASN A 60 117.320 -4.583 3.368 1.00 0.00 N ATOM 966 CA ASN A 60 117.424 -5.058 4.776 1.00 0.00 C ATOM 967 C ASN A 60 117.475 -3.848 5.707 1.00 0.00 C ATOM 968 O ASN A 60 117.970 -2.798 5.346 1.00 0.00 O ATOM 969 CB ASN A 60 118.703 -5.883 4.949 1.00 0.00 C ATOM 970 CG ASN A 60 118.903 -6.793 3.734 1.00 0.00 C ATOM 971 OD1 ASN A 60 118.785 -6.357 2.606 1.00 0.00 O ATOM 972 ND2 ASN A 60 119.204 -8.049 3.920 1.00 0.00 N ATOM 0 H ASN A 60 118.200 -4.284 2.947 1.00 0.00 H new ATOM 0 HA ASN A 60 116.560 -5.677 5.017 1.00 0.00 H new ATOM 0 HB2 ASN A 60 119.561 -5.221 5.064 1.00 0.00 H new ATOM 0 HB3 ASN A 60 118.640 -6.483 5.857 1.00 0.00 H new ATOM 0 HD21 ASN A 60 119.340 -8.665 3.118 1.00 0.00 H new ATOM 0 HD22 ASN A 60 119.303 -8.415 4.867 1.00 0.00 H new ATOM 979 N SER A 61 116.970 -3.980 6.901 1.00 0.00 N ATOM 980 CA SER A 61 116.994 -2.830 7.844 1.00 0.00 C ATOM 981 C SER A 61 117.538 -3.284 9.199 1.00 0.00 C ATOM 982 O SER A 61 118.415 -4.122 9.274 1.00 0.00 O ATOM 983 CB SER A 61 115.580 -2.271 7.999 1.00 0.00 C ATOM 984 OG SER A 61 114.774 -2.733 6.924 1.00 0.00 O ATOM 0 H SER A 61 116.543 -4.832 7.263 1.00 0.00 H new ATOM 0 HA SER A 61 117.644 -2.048 7.451 1.00 0.00 H new ATOM 0 HB2 SER A 61 115.153 -2.587 8.951 1.00 0.00 H new ATOM 0 HB3 SER A 61 115.606 -1.181 8.008 1.00 0.00 H new ATOM 0 HG SER A 61 114.577 -3.685 7.049 1.00 0.00 H new ATOM 990 N TYR A 62 117.043 -2.730 10.270 1.00 0.00 N ATOM 991 CA TYR A 62 117.556 -3.125 11.610 1.00 0.00 C ATOM 992 C TYR A 62 116.926 -4.453 12.029 1.00 0.00 C ATOM 993 O TYR A 62 117.593 -5.333 12.535 1.00 0.00 O ATOM 994 CB TYR A 62 117.199 -2.047 12.637 1.00 0.00 C ATOM 995 CG TYR A 62 117.347 -0.672 12.020 1.00 0.00 C ATOM 996 CD1 TYR A 62 118.206 -0.476 10.931 1.00 0.00 C ATOM 997 CD2 TYR A 62 116.625 0.407 12.542 1.00 0.00 C ATOM 998 CE1 TYR A 62 118.338 0.796 10.365 1.00 0.00 C ATOM 999 CE2 TYR A 62 116.760 1.678 11.977 1.00 0.00 C ATOM 1000 CZ TYR A 62 117.616 1.873 10.888 1.00 0.00 C ATOM 1001 OH TYR A 62 117.749 3.128 10.333 1.00 0.00 O ATOM 0 H TYR A 62 116.308 -2.023 10.275 1.00 0.00 H new ATOM 0 HA TYR A 62 118.639 -3.235 11.561 1.00 0.00 H new ATOM 0 HB2 TYR A 62 116.176 -2.190 12.985 1.00 0.00 H new ATOM 0 HB3 TYR A 62 117.848 -2.135 13.509 1.00 0.00 H new ATOM 0 HD1 TYR A 62 118.766 -1.307 10.529 1.00 0.00 H new ATOM 0 HD2 TYR A 62 115.963 0.257 13.382 1.00 0.00 H new ATOM 0 HE1 TYR A 62 118.998 0.946 9.523 1.00 0.00 H new ATOM 0 HE2 TYR A 62 116.203 2.510 12.381 1.00 0.00 H new ATOM 0 HH TYR A 62 118.034 3.044 9.399 1.00 0.00 H new ATOM 1011 N ASN A 63 115.646 -4.606 11.830 1.00 0.00 N ATOM 1012 CA ASN A 63 114.987 -5.880 12.231 1.00 0.00 C ATOM 1013 C ASN A 63 114.105 -6.411 11.095 1.00 0.00 C ATOM 1014 O ASN A 63 113.658 -7.539 11.131 1.00 0.00 O ATOM 1015 CB ASN A 63 114.123 -5.634 13.469 1.00 0.00 C ATOM 1016 CG ASN A 63 114.954 -4.919 14.537 1.00 0.00 C ATOM 1017 OD1 ASN A 63 116.168 -4.944 14.498 1.00 0.00 O ATOM 1018 ND2 ASN A 63 114.346 -4.276 15.497 1.00 0.00 N ATOM 0 H ASN A 63 115.031 -3.909 11.410 1.00 0.00 H new ATOM 0 HA ASN A 63 115.757 -6.619 12.453 1.00 0.00 H new ATOM 0 HB2 ASN A 63 113.254 -5.031 13.205 1.00 0.00 H new ATOM 0 HB3 ASN A 63 113.748 -6.581 13.858 1.00 0.00 H new ATOM 0 HD21 ASN A 63 114.890 -3.795 16.213 1.00 0.00 H new ATOM 0 HD22 ASN A 63 113.327 -4.254 15.531 1.00 0.00 H new ATOM 1025 N HIS A 64 113.840 -5.618 10.088 1.00 0.00 N ATOM 1026 CA HIS A 64 112.975 -6.109 8.977 1.00 0.00 C ATOM 1027 C HIS A 64 113.449 -5.537 7.638 1.00 0.00 C ATOM 1028 O HIS A 64 114.512 -4.960 7.542 1.00 0.00 O ATOM 1029 CB HIS A 64 111.532 -5.689 9.249 1.00 0.00 C ATOM 1030 CG HIS A 64 111.087 -6.305 10.547 1.00 0.00 C ATOM 1031 ND1 HIS A 64 111.099 -7.603 10.993 1.00 0.00 N flip ATOM 1032 CD2 HIS A 64 110.563 -5.552 11.587 1.00 0.00 C flip ATOM 1033 CE1 HIS A 64 110.590 -7.659 12.286 1.00 0.00 C flip ATOM 1034 NE2 HIS A 64 110.283 -6.398 12.597 1.00 0.00 N flip ATOM 0 H HIS A 64 114.182 -4.662 9.988 1.00 0.00 H new ATOM 0 HA HIS A 64 113.036 -7.196 8.923 1.00 0.00 H new ATOM 0 HB2 HIS A 64 111.458 -4.603 9.301 1.00 0.00 H new ATOM 0 HB3 HIS A 64 110.884 -6.014 8.435 1.00 0.00 H new ATOM 0 HD1 HIS A 64 111.431 -8.405 10.457 1.00 0.00 H new ATOM 0 HD2 HIS A 64 110.408 -4.483 11.587 1.00 0.00 H new ATOM 0 HE1 HIS A 64 110.469 -8.535 12.906 1.00 0.00 H new ATOM 1042 N ASN A 65 112.675 -5.711 6.596 1.00 0.00 N ATOM 1043 CA ASN A 65 113.098 -5.194 5.262 1.00 0.00 C ATOM 1044 C ASN A 65 112.118 -4.133 4.756 1.00 0.00 C ATOM 1045 O ASN A 65 110.978 -4.063 5.178 1.00 0.00 O ATOM 1046 CB ASN A 65 113.145 -6.352 4.266 1.00 0.00 C ATOM 1047 CG ASN A 65 114.300 -7.283 4.630 1.00 0.00 C ATOM 1048 OD1 ASN A 65 115.391 -7.148 4.112 1.00 0.00 O ATOM 1049 ND2 ASN A 65 114.109 -8.223 5.511 1.00 0.00 N ATOM 0 H ASN A 65 111.773 -6.187 6.612 1.00 0.00 H new ATOM 0 HA ASN A 65 114.084 -4.740 5.359 1.00 0.00 H new ATOM 0 HB2 ASN A 65 112.202 -6.899 4.282 1.00 0.00 H new ATOM 0 HB3 ASN A 65 113.275 -5.971 3.253 1.00 0.00 H new ATOM 0 HD21 ASN A 65 114.875 -8.846 5.766 1.00 0.00 H new ATOM 0 HD22 ASN A 65 113.193 -8.336 5.946 1.00 0.00 H new ATOM 1056 N ILE A 66 112.563 -3.311 3.842 1.00 0.00 N ATOM 1057 CA ILE A 66 111.678 -2.250 3.285 1.00 0.00 C ATOM 1058 C ILE A 66 111.271 -2.630 1.861 1.00 0.00 C ATOM 1059 O ILE A 66 112.070 -2.571 0.944 1.00 0.00 O ATOM 1060 CB ILE A 66 112.435 -0.909 3.258 1.00 0.00 C ATOM 1061 CG1 ILE A 66 112.356 -0.259 4.642 1.00 0.00 C ATOM 1062 CG2 ILE A 66 111.816 0.044 2.217 1.00 0.00 C ATOM 1063 CD1 ILE A 66 113.148 -1.098 5.648 1.00 0.00 C ATOM 0 H ILE A 66 113.507 -3.331 3.456 1.00 0.00 H new ATOM 0 HA ILE A 66 110.789 -2.152 3.909 1.00 0.00 H new ATOM 0 HB ILE A 66 113.474 -1.098 2.988 1.00 0.00 H new ATOM 0 HG12 ILE A 66 112.756 0.754 4.603 1.00 0.00 H new ATOM 0 HG13 ILE A 66 111.316 -0.179 4.959 1.00 0.00 H new ATOM 0 HG21 ILE A 66 112.365 0.986 2.214 1.00 0.00 H new ATOM 0 HG22 ILE A 66 111.871 -0.412 1.228 1.00 0.00 H new ATOM 0 HG23 ILE A 66 110.773 0.233 2.472 1.00 0.00 H new ATOM 0 HD11 ILE A 66 113.091 -0.634 6.633 1.00 0.00 H new ATOM 0 HD12 ILE A 66 112.728 -2.103 5.695 1.00 0.00 H new ATOM 0 HD13 ILE A 66 114.190 -1.155 5.334 1.00 0.00 H new ATOM 1075 N LEU A 67 110.034 -2.991 1.656 1.00 0.00 N ATOM 1076 CA LEU A 67 109.592 -3.329 0.280 1.00 0.00 C ATOM 1077 C LEU A 67 109.322 -2.014 -0.441 1.00 0.00 C ATOM 1078 O LEU A 67 108.206 -1.540 -0.522 1.00 0.00 O ATOM 1079 CB LEU A 67 108.321 -4.181 0.319 1.00 0.00 C ATOM 1080 CG LEU A 67 107.815 -4.404 -1.108 1.00 0.00 C ATOM 1081 CD1 LEU A 67 108.816 -5.268 -1.879 1.00 0.00 C ATOM 1082 CD2 LEU A 67 106.462 -5.115 -1.060 1.00 0.00 C ATOM 0 H LEU A 67 109.317 -3.065 2.378 1.00 0.00 H new ATOM 0 HA LEU A 67 110.358 -3.906 -0.238 1.00 0.00 H new ATOM 0 HB2 LEU A 67 108.526 -5.139 0.798 1.00 0.00 H new ATOM 0 HB3 LEU A 67 107.555 -3.684 0.915 1.00 0.00 H new ATOM 0 HG LEU A 67 107.706 -3.442 -1.609 1.00 0.00 H new ATOM 0 HD11 LEU A 67 108.454 -5.426 -2.895 1.00 0.00 H new ATOM 0 HD12 LEU A 67 109.782 -4.764 -1.912 1.00 0.00 H new ATOM 0 HD13 LEU A 67 108.926 -6.231 -1.380 1.00 0.00 H new ATOM 0 HD21 LEU A 67 106.099 -5.275 -2.075 1.00 0.00 H new ATOM 0 HD22 LEU A 67 106.574 -6.076 -0.559 1.00 0.00 H new ATOM 0 HD23 LEU A 67 105.747 -4.501 -0.512 1.00 0.00 H new ATOM 1094 N PHE A 68 110.360 -1.417 -0.941 1.00 0.00 N ATOM 1095 CA PHE A 68 110.237 -0.114 -1.642 1.00 0.00 C ATOM 1096 C PHE A 68 109.697 -0.362 -3.047 1.00 0.00 C ATOM 1097 O PHE A 68 110.437 -0.714 -3.935 1.00 0.00 O ATOM 1098 CB PHE A 68 111.641 0.478 -1.732 1.00 0.00 C ATOM 1099 CG PHE A 68 111.585 1.976 -1.707 1.00 0.00 C ATOM 1100 CD1 PHE A 68 110.715 2.638 -0.838 1.00 0.00 C ATOM 1101 CD2 PHE A 68 112.415 2.701 -2.560 1.00 0.00 C ATOM 1102 CE1 PHE A 68 110.675 4.033 -0.822 1.00 0.00 C ATOM 1103 CE2 PHE A 68 112.377 4.098 -2.550 1.00 0.00 C ATOM 1104 CZ PHE A 68 111.506 4.766 -1.679 1.00 0.00 C ATOM 0 H PHE A 68 111.310 -1.785 -0.893 1.00 0.00 H new ATOM 0 HA PHE A 68 109.564 0.563 -1.115 1.00 0.00 H new ATOM 0 HB2 PHE A 68 112.247 0.118 -0.901 1.00 0.00 H new ATOM 0 HB3 PHE A 68 112.125 0.142 -2.649 1.00 0.00 H new ATOM 0 HD1 PHE A 68 110.074 2.071 -0.179 1.00 0.00 H new ATOM 0 HD2 PHE A 68 113.087 2.184 -3.228 1.00 0.00 H new ATOM 0 HE1 PHE A 68 110.004 4.547 -0.150 1.00 0.00 H new ATOM 0 HE2 PHE A 68 113.018 4.662 -3.212 1.00 0.00 H new ATOM 0 HZ PHE A 68 111.475 5.846 -1.668 1.00 0.00 H new ATOM 1114 N PHE A 69 108.415 -0.195 -3.263 1.00 0.00 N ATOM 1115 CA PHE A 69 107.868 -0.459 -4.625 1.00 0.00 C ATOM 1116 C PHE A 69 107.163 0.774 -5.194 1.00 0.00 C ATOM 1117 O PHE A 69 106.292 1.358 -4.580 1.00 0.00 O ATOM 1118 CB PHE A 69 106.903 -1.654 -4.572 1.00 0.00 C ATOM 1119 CG PHE A 69 105.547 -1.241 -4.037 1.00 0.00 C ATOM 1120 CD1 PHE A 69 105.384 -0.942 -2.679 1.00 0.00 C ATOM 1121 CD2 PHE A 69 104.445 -1.182 -4.900 1.00 0.00 C ATOM 1122 CE1 PHE A 69 104.120 -0.580 -2.189 1.00 0.00 C ATOM 1123 CE2 PHE A 69 103.187 -0.823 -4.413 1.00 0.00 C ATOM 1124 CZ PHE A 69 103.021 -0.520 -3.058 1.00 0.00 C ATOM 0 H PHE A 69 107.735 0.108 -2.566 1.00 0.00 H new ATOM 0 HA PHE A 69 108.700 -0.696 -5.289 1.00 0.00 H new ATOM 0 HB2 PHE A 69 106.789 -2.077 -5.570 1.00 0.00 H new ATOM 0 HB3 PHE A 69 107.323 -2.436 -3.940 1.00 0.00 H new ATOM 0 HD1 PHE A 69 106.230 -0.990 -2.009 1.00 0.00 H new ATOM 0 HD2 PHE A 69 104.569 -1.415 -5.947 1.00 0.00 H new ATOM 0 HE1 PHE A 69 103.993 -0.347 -1.142 1.00 0.00 H new ATOM 0 HE2 PHE A 69 102.341 -0.779 -5.083 1.00 0.00 H new ATOM 0 HZ PHE A 69 102.048 -0.240 -2.681 1.00 0.00 H new ATOM 1134 N LEU A 70 107.543 1.153 -6.385 1.00 0.00 N ATOM 1135 CA LEU A 70 106.925 2.327 -7.060 1.00 0.00 C ATOM 1136 C LEU A 70 105.831 1.819 -7.995 1.00 0.00 C ATOM 1137 O LEU A 70 105.736 0.637 -8.248 1.00 0.00 O ATOM 1138 CB LEU A 70 107.990 3.038 -7.895 1.00 0.00 C ATOM 1139 CG LEU A 70 108.252 4.435 -7.342 1.00 0.00 C ATOM 1140 CD1 LEU A 70 109.327 4.359 -6.254 1.00 0.00 C ATOM 1141 CD2 LEU A 70 108.736 5.331 -8.485 1.00 0.00 C ATOM 0 H LEU A 70 108.271 0.687 -6.928 1.00 0.00 H new ATOM 0 HA LEU A 70 106.512 3.014 -6.322 1.00 0.00 H new ATOM 0 HB2 LEU A 70 108.913 2.458 -7.889 1.00 0.00 H new ATOM 0 HB3 LEU A 70 107.663 3.106 -8.933 1.00 0.00 H new ATOM 0 HG LEU A 70 107.339 4.845 -6.912 1.00 0.00 H new ATOM 0 HD11 LEU A 70 109.515 5.357 -5.858 1.00 0.00 H new ATOM 0 HD12 LEU A 70 108.985 3.708 -5.449 1.00 0.00 H new ATOM 0 HD13 LEU A 70 110.247 3.958 -6.679 1.00 0.00 H new ATOM 0 HD21 LEU A 70 108.928 6.334 -8.105 1.00 0.00 H new ATOM 0 HD22 LEU A 70 109.654 4.921 -8.905 1.00 0.00 H new ATOM 0 HD23 LEU A 70 107.971 5.377 -9.260 1.00 0.00 H new ATOM 1153 N THR A 71 105.005 2.681 -8.518 1.00 0.00 N ATOM 1154 CA THR A 71 103.938 2.187 -9.433 1.00 0.00 C ATOM 1155 C THR A 71 103.812 3.090 -10.666 1.00 0.00 C ATOM 1156 O THR A 71 104.153 4.254 -10.624 1.00 0.00 O ATOM 1157 CB THR A 71 102.609 2.172 -8.694 1.00 0.00 C ATOM 1158 OG1 THR A 71 102.382 3.447 -8.108 1.00 0.00 O ATOM 1159 CG2 THR A 71 102.630 1.102 -7.599 1.00 0.00 C ATOM 0 H THR A 71 105.020 3.688 -8.356 1.00 0.00 H new ATOM 0 HA THR A 71 104.203 1.181 -9.760 1.00 0.00 H new ATOM 0 HB THR A 71 101.809 1.944 -9.399 1.00 0.00 H new ATOM 0 HG1 THR A 71 102.908 3.527 -7.285 1.00 0.00 H new ATOM 0 HG21 THR A 71 101.674 1.099 -7.075 1.00 0.00 H new ATOM 0 HG22 THR A 71 102.801 0.124 -8.049 1.00 0.00 H new ATOM 0 HG23 THR A 71 103.430 1.321 -6.892 1.00 0.00 H new ATOM 1167 N PRO A 72 103.308 2.508 -11.730 1.00 0.00 N ATOM 1168 CA PRO A 72 103.096 3.211 -13.009 1.00 0.00 C ATOM 1169 C PRO A 72 101.794 4.017 -12.957 1.00 0.00 C ATOM 1170 O PRO A 72 101.796 5.192 -12.651 1.00 0.00 O ATOM 1171 CB PRO A 72 102.982 2.073 -14.027 1.00 0.00 C ATOM 1172 CG PRO A 72 102.560 0.816 -13.230 1.00 0.00 C ATOM 1173 CD PRO A 72 102.909 1.087 -11.756 1.00 0.00 C ATOM 0 HA PRO A 72 103.891 3.917 -13.250 1.00 0.00 H new ATOM 0 HB2 PRO A 72 102.246 2.311 -14.795 1.00 0.00 H new ATOM 0 HB3 PRO A 72 103.932 1.910 -14.535 1.00 0.00 H new ATOM 0 HG2 PRO A 72 101.493 0.625 -13.346 1.00 0.00 H new ATOM 0 HG3 PRO A 72 103.084 -0.067 -13.595 1.00 0.00 H new ATOM 0 HD2 PRO A 72 102.055 0.902 -11.105 1.00 0.00 H new ATOM 0 HD3 PRO A 72 103.717 0.441 -11.413 1.00 0.00 H new ATOM 1181 N HIS A 73 100.678 3.394 -13.249 1.00 0.00 N ATOM 1182 CA HIS A 73 99.388 4.138 -13.206 1.00 0.00 C ATOM 1183 C HIS A 73 99.132 4.591 -11.761 1.00 0.00 C ATOM 1184 O HIS A 73 98.564 3.889 -10.958 1.00 0.00 O ATOM 1185 CB HIS A 73 98.248 3.247 -13.750 1.00 0.00 C ATOM 1186 CG HIS A 73 97.700 2.324 -12.690 1.00 0.00 C ATOM 1187 ND1 HIS A 73 96.411 2.044 -12.304 1.00 0.00 N flip ATOM 1188 CD2 HIS A 73 98.513 1.556 -11.871 1.00 0.00 C flip ATOM 1189 CE1 HIS A 73 96.420 1.121 -11.263 1.00 0.00 C flip ATOM 1190 NE2 HIS A 73 97.710 0.863 -11.035 1.00 0.00 N flip ATOM 0 H HIS A 73 100.608 2.411 -13.513 1.00 0.00 H new ATOM 0 HA HIS A 73 99.431 5.023 -13.841 1.00 0.00 H new ATOM 0 HB2 HIS A 73 97.445 3.878 -14.132 1.00 0.00 H new ATOM 0 HB3 HIS A 73 98.617 2.657 -14.589 1.00 0.00 H new ATOM 0 HD2 HIS A 73 99.592 1.519 -11.897 1.00 0.00 H new ATOM 0 HE1 HIS A 73 95.567 0.703 -10.750 1.00 0.00 H new ATOM 0 HE2 HIS A 73 98.048 0.221 -10.318 1.00 0.00 H new ATOM 1198 N ARG A 74 99.595 5.768 -11.428 1.00 0.00 N ATOM 1199 CA ARG A 74 99.440 6.304 -10.040 1.00 0.00 C ATOM 1200 C ARG A 74 98.120 5.855 -9.400 1.00 0.00 C ATOM 1201 O ARG A 74 97.098 5.756 -10.049 1.00 0.00 O ATOM 1202 CB ARG A 74 99.479 7.834 -10.087 1.00 0.00 C ATOM 1203 CG ARG A 74 99.087 8.401 -8.721 1.00 0.00 C ATOM 1204 CD ARG A 74 100.041 9.536 -8.345 1.00 0.00 C ATOM 1205 NE ARG A 74 100.369 10.333 -9.561 1.00 0.00 N ATOM 1206 CZ ARG A 74 99.835 11.511 -9.734 1.00 0.00 C ATOM 1207 NH1 ARG A 74 98.563 11.619 -10.004 1.00 0.00 N ATOM 1208 NH2 ARG A 74 100.574 12.582 -9.635 1.00 0.00 N ATOM 0 H ARG A 74 100.083 6.392 -12.070 1.00 0.00 H new ATOM 0 HA ARG A 74 100.258 5.914 -9.434 1.00 0.00 H new ATOM 0 HB2 ARG A 74 100.478 8.174 -10.360 1.00 0.00 H new ATOM 0 HB3 ARG A 74 98.797 8.202 -10.854 1.00 0.00 H new ATOM 0 HG2 ARG A 74 98.061 8.769 -8.749 1.00 0.00 H new ATOM 0 HG3 ARG A 74 99.124 7.616 -7.966 1.00 0.00 H new ATOM 0 HD2 ARG A 74 99.583 10.176 -7.591 1.00 0.00 H new ATOM 0 HD3 ARG A 74 100.952 9.129 -7.907 1.00 0.00 H new ATOM 0 HE ARG A 74 101.011 9.957 -10.259 1.00 0.00 H new ATOM 0 HH11 ARG A 74 97.985 10.782 -10.080 1.00 0.00 H new ATOM 0 HH12 ARG A 74 98.147 12.540 -10.139 1.00 0.00 H new ATOM 0 HH21 ARG A 74 101.568 12.498 -9.423 1.00 0.00 H new ATOM 0 HH22 ARG A 74 100.158 13.503 -9.770 1.00 0.00 H new ATOM 1222 N HIS A 75 98.144 5.608 -8.114 1.00 0.00 N ATOM 1223 CA HIS A 75 96.907 5.190 -7.389 1.00 0.00 C ATOM 1224 C HIS A 75 96.914 5.830 -6.011 1.00 0.00 C ATOM 1225 O HIS A 75 97.958 6.047 -5.428 1.00 0.00 O ATOM 1226 CB HIS A 75 96.868 3.673 -7.166 1.00 0.00 C ATOM 1227 CG HIS A 75 98.098 3.024 -7.712 1.00 0.00 C ATOM 1228 ND1 HIS A 75 98.173 2.571 -9.007 1.00 0.00 N ATOM 1229 CD2 HIS A 75 99.297 2.720 -7.135 1.00 0.00 C ATOM 1230 CE1 HIS A 75 99.388 2.013 -9.166 1.00 0.00 C ATOM 1231 NE2 HIS A 75 100.108 2.080 -8.051 1.00 0.00 N ATOM 0 H HIS A 75 98.977 5.679 -7.530 1.00 0.00 H new ATOM 0 HA HIS A 75 96.051 5.495 -7.990 1.00 0.00 H new ATOM 0 HB2 HIS A 75 96.781 3.460 -6.101 1.00 0.00 H new ATOM 0 HB3 HIS A 75 95.985 3.253 -7.648 1.00 0.00 H new ATOM 0 HD1 HIS A 75 97.444 2.644 -9.716 1.00 0.00 H new ATOM 0 HD2 HIS A 75 99.570 2.946 -6.115 1.00 0.00 H new ATOM 0 HE1 HIS A 75 99.735 1.566 -10.086 1.00 0.00 H new ATOM 1239 N ARG A 76 95.771 6.094 -5.453 1.00 0.00 N ATOM 1240 CA ARG A 76 95.769 6.664 -4.088 1.00 0.00 C ATOM 1241 C ARG A 76 96.564 5.698 -3.213 1.00 0.00 C ATOM 1242 O ARG A 76 96.279 4.510 -3.171 1.00 0.00 O ATOM 1243 CB ARG A 76 94.332 6.778 -3.571 1.00 0.00 C ATOM 1244 CG ARG A 76 93.788 8.176 -3.877 1.00 0.00 C ATOM 1245 CD ARG A 76 93.794 9.016 -2.599 1.00 0.00 C ATOM 1246 NE ARG A 76 92.413 9.498 -2.315 1.00 0.00 N ATOM 1247 CZ ARG A 76 92.030 10.671 -2.741 1.00 0.00 C ATOM 1248 NH1 ARG A 76 92.230 11.012 -3.984 1.00 0.00 N ATOM 1249 NH2 ARG A 76 91.447 11.504 -1.922 1.00 0.00 N ATOM 0 H ARG A 76 94.855 5.943 -5.875 1.00 0.00 H new ATOM 0 HA ARG A 76 96.209 7.661 -4.075 1.00 0.00 H new ATOM 0 HB2 ARG A 76 93.704 6.021 -4.041 1.00 0.00 H new ATOM 0 HB3 ARG A 76 94.305 6.593 -2.497 1.00 0.00 H new ATOM 0 HG2 ARG A 76 94.397 8.655 -4.643 1.00 0.00 H new ATOM 0 HG3 ARG A 76 92.775 8.105 -4.274 1.00 0.00 H new ATOM 0 HD2 ARG A 76 94.163 8.422 -1.763 1.00 0.00 H new ATOM 0 HD3 ARG A 76 94.471 9.863 -2.711 1.00 0.00 H new ATOM 0 HE ARG A 76 91.767 8.911 -1.788 1.00 0.00 H new ATOM 0 HH11 ARG A 76 92.686 10.362 -4.624 1.00 0.00 H new ATOM 0 HH12 ARG A 76 91.930 11.929 -4.316 1.00 0.00 H new ATOM 0 HH21 ARG A 76 91.291 11.238 -0.950 1.00 0.00 H new ATOM 0 HH22 ARG A 76 91.148 12.421 -2.254 1.00 0.00 H new ATOM 1263 N VAL A 77 97.575 6.160 -2.537 1.00 0.00 N ATOM 1264 CA VAL A 77 98.362 5.213 -1.710 1.00 0.00 C ATOM 1265 C VAL A 77 97.438 4.601 -0.651 1.00 0.00 C ATOM 1266 O VAL A 77 97.752 3.595 -0.047 1.00 0.00 O ATOM 1267 CB VAL A 77 99.577 5.920 -1.087 1.00 0.00 C ATOM 1268 CG1 VAL A 77 99.946 5.274 0.253 1.00 0.00 C ATOM 1269 CG2 VAL A 77 100.773 5.797 -2.050 1.00 0.00 C ATOM 0 H VAL A 77 97.885 7.132 -2.521 1.00 0.00 H new ATOM 0 HA VAL A 77 98.757 4.408 -2.330 1.00 0.00 H new ATOM 0 HB VAL A 77 99.330 6.968 -0.917 1.00 0.00 H new ATOM 0 HG11 VAL A 77 100.808 5.787 0.679 1.00 0.00 H new ATOM 0 HG12 VAL A 77 99.102 5.351 0.939 1.00 0.00 H new ATOM 0 HG13 VAL A 77 100.191 4.224 0.095 1.00 0.00 H new ATOM 0 HG21 VAL A 77 101.641 6.295 -1.618 1.00 0.00 H new ATOM 0 HG22 VAL A 77 101.003 4.744 -2.212 1.00 0.00 H new ATOM 0 HG23 VAL A 77 100.523 6.265 -3.002 1.00 0.00 H new ATOM 1279 N SER A 78 96.280 5.176 -0.456 1.00 0.00 N ATOM 1280 CA SER A 78 95.322 4.596 0.521 1.00 0.00 C ATOM 1281 C SER A 78 94.631 3.414 -0.161 1.00 0.00 C ATOM 1282 O SER A 78 94.318 2.413 0.453 1.00 0.00 O ATOM 1283 CB SER A 78 94.282 5.646 0.918 1.00 0.00 C ATOM 1284 OG SER A 78 94.045 5.566 2.317 1.00 0.00 O ATOM 0 H SER A 78 95.960 6.020 -0.931 1.00 0.00 H new ATOM 0 HA SER A 78 95.842 4.272 1.422 1.00 0.00 H new ATOM 0 HB2 SER A 78 94.635 6.643 0.654 1.00 0.00 H new ATOM 0 HB3 SER A 78 93.354 5.481 0.370 1.00 0.00 H new ATOM 0 HG SER A 78 94.884 5.719 2.800 1.00 0.00 H new ATOM 1290 N ALA A 79 94.406 3.530 -1.444 1.00 0.00 N ATOM 1291 CA ALA A 79 93.757 2.424 -2.203 1.00 0.00 C ATOM 1292 C ALA A 79 94.626 1.171 -2.103 1.00 0.00 C ATOM 1293 O ALA A 79 94.169 0.118 -1.702 1.00 0.00 O ATOM 1294 CB ALA A 79 93.624 2.824 -3.673 1.00 0.00 C ATOM 0 H ALA A 79 94.646 4.350 -2.001 1.00 0.00 H new ATOM 0 HA ALA A 79 92.769 2.226 -1.787 1.00 0.00 H new ATOM 0 HB1 ALA A 79 93.149 2.015 -4.229 1.00 0.00 H new ATOM 0 HB2 ALA A 79 93.015 3.724 -3.751 1.00 0.00 H new ATOM 0 HB3 ALA A 79 94.613 3.018 -4.088 1.00 0.00 H new ATOM 1300 N ILE A 80 95.881 1.272 -2.460 1.00 0.00 N ATOM 1301 CA ILE A 80 96.771 0.078 -2.372 1.00 0.00 C ATOM 1302 C ILE A 80 96.929 -0.310 -0.905 1.00 0.00 C ATOM 1303 O ILE A 80 97.065 -1.470 -0.572 1.00 0.00 O ATOM 1304 CB ILE A 80 98.144 0.396 -2.956 1.00 0.00 C ATOM 1305 CG1 ILE A 80 97.961 1.002 -4.366 1.00 0.00 C ATOM 1306 CG2 ILE A 80 98.972 -0.896 -3.001 1.00 0.00 C ATOM 1307 CD1 ILE A 80 98.892 0.335 -5.386 1.00 0.00 C ATOM 0 H ILE A 80 96.324 2.123 -2.806 1.00 0.00 H new ATOM 0 HA ILE A 80 96.329 -0.742 -2.937 1.00 0.00 H new ATOM 0 HB ILE A 80 98.673 1.122 -2.339 1.00 0.00 H new ATOM 0 HG12 ILE A 80 96.925 0.882 -4.684 1.00 0.00 H new ATOM 0 HG13 ILE A 80 98.163 2.073 -4.333 1.00 0.00 H new ATOM 0 HG21 ILE A 80 99.957 -0.683 -3.417 1.00 0.00 H new ATOM 0 HG22 ILE A 80 99.082 -1.293 -1.992 1.00 0.00 H new ATOM 0 HG23 ILE A 80 98.466 -1.631 -3.626 1.00 0.00 H new ATOM 0 HD11 ILE A 80 98.738 0.784 -6.367 1.00 0.00 H new ATOM 0 HD12 ILE A 80 99.928 0.477 -5.080 1.00 0.00 H new ATOM 0 HD13 ILE A 80 98.672 -0.731 -5.437 1.00 0.00 H new ATOM 1319 N ASN A 81 96.900 0.650 -0.018 1.00 0.00 N ATOM 1320 CA ASN A 81 97.030 0.313 1.424 1.00 0.00 C ATOM 1321 C ASN A 81 96.062 -0.829 1.715 1.00 0.00 C ATOM 1322 O ASN A 81 96.265 -1.626 2.608 1.00 0.00 O ATOM 1323 CB ASN A 81 96.677 1.539 2.276 1.00 0.00 C ATOM 1324 CG ASN A 81 96.348 1.102 3.705 1.00 0.00 C ATOM 1325 OD1 ASN A 81 97.235 0.820 4.487 1.00 0.00 O ATOM 1326 ND2 ASN A 81 95.100 1.035 4.083 1.00 0.00 N ATOM 0 H ASN A 81 96.793 1.642 -0.230 1.00 0.00 H new ATOM 0 HA ASN A 81 98.051 0.016 1.664 1.00 0.00 H new ATOM 0 HB2 ASN A 81 97.512 2.240 2.284 1.00 0.00 H new ATOM 0 HB3 ASN A 81 95.825 2.062 1.841 1.00 0.00 H new ATOM 0 HD21 ASN A 81 94.870 0.746 5.034 1.00 0.00 H new ATOM 0 HD22 ASN A 81 94.355 1.271 3.427 1.00 0.00 H new ATOM 1333 N ASN A 82 95.015 -0.917 0.940 1.00 0.00 N ATOM 1334 CA ASN A 82 94.024 -2.008 1.127 1.00 0.00 C ATOM 1335 C ASN A 82 94.675 -3.332 0.726 1.00 0.00 C ATOM 1336 O ASN A 82 94.611 -4.308 1.448 1.00 0.00 O ATOM 1337 CB ASN A 82 92.807 -1.743 0.238 1.00 0.00 C ATOM 1338 CG ASN A 82 91.627 -2.592 0.711 1.00 0.00 C ATOM 1339 OD1 ASN A 82 91.775 -3.436 1.572 1.00 0.00 O ATOM 1340 ND2 ASN A 82 90.450 -2.401 0.179 1.00 0.00 N ATOM 0 H ASN A 82 94.805 -0.272 0.179 1.00 0.00 H new ATOM 0 HA ASN A 82 93.704 -2.053 2.168 1.00 0.00 H new ATOM 0 HB2 ASN A 82 92.543 -0.686 0.272 1.00 0.00 H new ATOM 0 HB3 ASN A 82 93.044 -1.979 -0.799 1.00 0.00 H new ATOM 0 HD21 ASN A 82 89.655 -2.961 0.486 1.00 0.00 H new ATOM 0 HD22 ASN A 82 90.326 -1.692 -0.544 1.00 0.00 H new ATOM 1347 N TYR A 83 95.313 -3.374 -0.415 1.00 0.00 N ATOM 1348 CA TYR A 83 95.975 -4.640 -0.841 1.00 0.00 C ATOM 1349 C TYR A 83 97.017 -5.026 0.213 1.00 0.00 C ATOM 1350 O TYR A 83 96.935 -6.076 0.818 1.00 0.00 O ATOM 1351 CB TYR A 83 96.642 -4.428 -2.210 1.00 0.00 C ATOM 1352 CG TYR A 83 97.621 -5.547 -2.522 1.00 0.00 C ATOM 1353 CD1 TYR A 83 97.558 -6.774 -1.842 1.00 0.00 C ATOM 1354 CD2 TYR A 83 98.604 -5.348 -3.501 1.00 0.00 C ATOM 1355 CE1 TYR A 83 98.476 -7.788 -2.138 1.00 0.00 C ATOM 1356 CE2 TYR A 83 99.518 -6.364 -3.797 1.00 0.00 C ATOM 1357 CZ TYR A 83 99.455 -7.583 -3.115 1.00 0.00 C ATOM 1358 OH TYR A 83 100.360 -8.584 -3.405 1.00 0.00 O ATOM 0 H TYR A 83 95.403 -2.593 -1.065 1.00 0.00 H new ATOM 0 HA TYR A 83 95.243 -5.443 -0.932 1.00 0.00 H new ATOM 0 HB2 TYR A 83 95.878 -4.382 -2.986 1.00 0.00 H new ATOM 0 HB3 TYR A 83 97.164 -3.471 -2.219 1.00 0.00 H new ATOM 0 HD1 TYR A 83 96.800 -6.935 -1.090 1.00 0.00 H new ATOM 0 HD2 TYR A 83 98.656 -4.407 -4.028 1.00 0.00 H new ATOM 0 HE1 TYR A 83 98.428 -8.730 -1.611 1.00 0.00 H new ATOM 0 HE2 TYR A 83 100.273 -6.207 -4.553 1.00 0.00 H new ATOM 0 HH TYR A 83 100.518 -9.125 -2.603 1.00 0.00 H new ATOM 1368 N ALA A 84 97.990 -4.191 0.443 1.00 0.00 N ATOM 1369 CA ALA A 84 99.026 -4.524 1.463 1.00 0.00 C ATOM 1370 C ALA A 84 98.366 -4.671 2.836 1.00 0.00 C ATOM 1371 O ALA A 84 98.962 -5.168 3.770 1.00 0.00 O ATOM 1372 CB ALA A 84 100.067 -3.405 1.517 1.00 0.00 C ATOM 0 H ALA A 84 98.114 -3.295 -0.028 1.00 0.00 H new ATOM 0 HA ALA A 84 99.512 -5.461 1.192 1.00 0.00 H new ATOM 0 HB1 ALA A 84 100.824 -3.648 2.262 1.00 0.00 H new ATOM 0 HB2 ALA A 84 100.540 -3.300 0.540 1.00 0.00 H new ATOM 0 HB3 ALA A 84 99.580 -2.468 1.787 1.00 0.00 H new ATOM 1378 N GLN A 85 97.140 -4.243 2.968 1.00 0.00 N ATOM 1379 CA GLN A 85 96.451 -4.359 4.285 1.00 0.00 C ATOM 1380 C GLN A 85 95.938 -5.787 4.473 1.00 0.00 C ATOM 1381 O GLN A 85 95.945 -6.319 5.566 1.00 0.00 O ATOM 1382 CB GLN A 85 95.271 -3.386 4.333 1.00 0.00 C ATOM 1383 CG GLN A 85 95.677 -2.129 5.103 1.00 0.00 C ATOM 1384 CD GLN A 85 95.863 -2.475 6.582 1.00 0.00 C ATOM 1385 OE1 GLN A 85 95.058 -3.178 7.159 1.00 0.00 O ATOM 1386 NE2 GLN A 85 96.899 -2.008 7.223 1.00 0.00 N ATOM 0 H GLN A 85 96.587 -3.819 2.223 1.00 0.00 H new ATOM 0 HA GLN A 85 97.155 -4.118 5.081 1.00 0.00 H new ATOM 0 HB2 GLN A 85 94.962 -3.122 3.322 1.00 0.00 H new ATOM 0 HB3 GLN A 85 94.415 -3.859 4.814 1.00 0.00 H new ATOM 0 HG2 GLN A 85 96.602 -1.722 4.694 1.00 0.00 H new ATOM 0 HG3 GLN A 85 94.914 -1.359 4.992 1.00 0.00 H new ATOM 0 HE21 GLN A 85 97.575 -1.418 6.738 1.00 0.00 H new ATOM 0 HE22 GLN A 85 97.033 -2.233 8.209 1.00 0.00 H new ATOM 1395 N LYS A 86 95.495 -6.418 3.420 1.00 0.00 N ATOM 1396 CA LYS A 86 94.989 -7.812 3.551 1.00 0.00 C ATOM 1397 C LYS A 86 96.132 -8.716 4.007 1.00 0.00 C ATOM 1398 O LYS A 86 95.926 -9.845 4.406 1.00 0.00 O ATOM 1399 CB LYS A 86 94.461 -8.295 2.200 1.00 0.00 C ATOM 1400 CG LYS A 86 93.726 -9.624 2.387 1.00 0.00 C ATOM 1401 CD LYS A 86 93.122 -10.068 1.053 1.00 0.00 C ATOM 1402 CE LYS A 86 91.877 -9.232 0.754 1.00 0.00 C ATOM 1403 NZ LYS A 86 91.966 -8.686 -0.631 1.00 0.00 N ATOM 0 H LYS A 86 95.462 -6.029 2.478 1.00 0.00 H new ATOM 0 HA LYS A 86 94.181 -7.843 4.282 1.00 0.00 H new ATOM 0 HB2 LYS A 86 93.788 -7.551 1.773 1.00 0.00 H new ATOM 0 HB3 LYS A 86 95.286 -8.419 1.498 1.00 0.00 H new ATOM 0 HG2 LYS A 86 94.415 -10.383 2.757 1.00 0.00 H new ATOM 0 HG3 LYS A 86 92.941 -9.515 3.135 1.00 0.00 H new ATOM 0 HD2 LYS A 86 93.853 -9.950 0.253 1.00 0.00 H new ATOM 0 HD3 LYS A 86 92.862 -11.126 1.093 1.00 0.00 H new ATOM 0 HE2 LYS A 86 90.981 -9.844 0.858 1.00 0.00 H new ATOM 0 HE3 LYS A 86 91.792 -8.417 1.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 91.120 -8.117 -0.835 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 92.813 -8.088 -0.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 92.028 -9.471 -1.310 1.00 0.00 H new ATOM 1417 N LEU A 87 97.340 -8.226 3.949 1.00 0.00 N ATOM 1418 CA LEU A 87 98.502 -9.047 4.373 1.00 0.00 C ATOM 1419 C LEU A 87 99.102 -8.458 5.653 1.00 0.00 C ATOM 1420 O LEU A 87 100.304 -8.422 5.829 1.00 0.00 O ATOM 1421 CB LEU A 87 99.546 -9.043 3.258 1.00 0.00 C ATOM 1422 CG LEU A 87 98.856 -9.351 1.928 1.00 0.00 C ATOM 1423 CD1 LEU A 87 98.532 -8.043 1.208 1.00 0.00 C ATOM 1424 CD2 LEU A 87 99.782 -10.196 1.055 1.00 0.00 C ATOM 0 H LEU A 87 97.570 -7.287 3.624 1.00 0.00 H new ATOM 0 HA LEU A 87 98.183 -10.071 4.569 1.00 0.00 H new ATOM 0 HB2 LEU A 87 100.041 -8.073 3.209 1.00 0.00 H new ATOM 0 HB3 LEU A 87 100.318 -9.785 3.462 1.00 0.00 H new ATOM 0 HG LEU A 87 97.934 -9.901 2.117 1.00 0.00 H new ATOM 0 HD11 LEU A 87 98.040 -8.262 0.260 1.00 0.00 H new ATOM 0 HD12 LEU A 87 97.870 -7.440 1.830 1.00 0.00 H new ATOM 0 HD13 LEU A 87 99.454 -7.493 1.020 1.00 0.00 H new ATOM 0 HD21 LEU A 87 99.289 -10.415 0.108 1.00 0.00 H new ATOM 0 HD22 LEU A 87 100.705 -9.647 0.866 1.00 0.00 H new ATOM 0 HD23 LEU A 87 100.014 -11.130 1.568 1.00 0.00 H new ATOM 1436 N CYS A 88 98.271 -7.998 6.548 1.00 0.00 N ATOM 1437 CA CYS A 88 98.786 -7.412 7.817 1.00 0.00 C ATOM 1438 C CYS A 88 98.736 -8.470 8.922 1.00 0.00 C ATOM 1439 O CYS A 88 99.452 -8.394 9.901 1.00 0.00 O ATOM 1440 CB CYS A 88 97.918 -6.217 8.217 1.00 0.00 C ATOM 1441 SG CYS A 88 98.572 -4.713 7.454 1.00 0.00 S ATOM 0 H CYS A 88 97.255 -8.003 6.454 1.00 0.00 H new ATOM 0 HA CYS A 88 99.815 -7.082 7.674 1.00 0.00 H new ATOM 0 HB2 CYS A 88 96.888 -6.380 7.900 1.00 0.00 H new ATOM 0 HB3 CYS A 88 97.905 -6.111 9.302 1.00 0.00 H new ATOM 0 HG CYS A 88 98.498 -3.729 8.301 1.00 0.00 H new ATOM 1447 N THR A 89 97.893 -9.455 8.773 1.00 0.00 N ATOM 1448 CA THR A 89 97.792 -10.515 9.815 1.00 0.00 C ATOM 1449 C THR A 89 99.167 -11.148 10.041 1.00 0.00 C ATOM 1450 O THR A 89 99.955 -10.676 10.837 1.00 0.00 O ATOM 1451 CB THR A 89 96.803 -11.589 9.353 1.00 0.00 C ATOM 1452 OG1 THR A 89 96.996 -11.842 7.968 1.00 0.00 O ATOM 1453 CG2 THR A 89 95.371 -11.107 9.589 1.00 0.00 C ATOM 0 H THR A 89 97.270 -9.571 7.974 1.00 0.00 H new ATOM 0 HA THR A 89 97.442 -10.074 10.748 1.00 0.00 H new ATOM 0 HB THR A 89 96.972 -12.505 9.919 1.00 0.00 H new ATOM 0 HG1 THR A 89 96.365 -12.530 7.670 1.00 0.00 H new ATOM 0 HG21 THR A 89 94.670 -11.874 9.259 1.00 0.00 H new ATOM 0 HG22 THR A 89 95.223 -10.913 10.651 1.00 0.00 H new ATOM 0 HG23 THR A 89 95.198 -10.190 9.025 1.00 0.00 H new ATOM 1461 N PHE A 90 99.461 -12.218 9.351 1.00 0.00 N ATOM 1462 CA PHE A 90 100.782 -12.884 9.527 1.00 0.00 C ATOM 1463 C PHE A 90 101.891 -11.829 9.601 1.00 0.00 C ATOM 1464 O PHE A 90 102.075 -11.044 8.692 1.00 0.00 O ATOM 1465 CB PHE A 90 101.042 -13.818 8.342 1.00 0.00 C ATOM 1466 CG PHE A 90 101.380 -13.004 7.114 1.00 0.00 C ATOM 1467 CD1 PHE A 90 100.502 -12.010 6.667 1.00 0.00 C ATOM 1468 CD2 PHE A 90 102.574 -13.244 6.423 1.00 0.00 C ATOM 1469 CE1 PHE A 90 100.816 -11.257 5.530 1.00 0.00 C ATOM 1470 CE2 PHE A 90 102.888 -12.490 5.285 1.00 0.00 C ATOM 1471 CZ PHE A 90 102.009 -11.496 4.840 1.00 0.00 C ATOM 0 H PHE A 90 98.841 -12.659 8.672 1.00 0.00 H new ATOM 0 HA PHE A 90 100.775 -13.460 10.452 1.00 0.00 H new ATOM 0 HB2 PHE A 90 101.861 -14.498 8.576 1.00 0.00 H new ATOM 0 HB3 PHE A 90 100.162 -14.433 8.152 1.00 0.00 H new ATOM 0 HD1 PHE A 90 99.581 -11.824 7.200 1.00 0.00 H new ATOM 0 HD2 PHE A 90 103.253 -14.010 6.767 1.00 0.00 H new ATOM 0 HE1 PHE A 90 100.137 -10.491 5.185 1.00 0.00 H new ATOM 0 HE2 PHE A 90 103.808 -12.676 4.751 1.00 0.00 H new ATOM 0 HZ PHE A 90 102.252 -10.913 3.964 1.00 0.00 H new ATOM 1481 N SER A 91 102.632 -11.810 10.674 1.00 0.00 N ATOM 1482 CA SER A 91 103.732 -10.812 10.805 1.00 0.00 C ATOM 1483 C SER A 91 103.146 -9.400 10.855 1.00 0.00 C ATOM 1484 O SER A 91 102.051 -9.153 10.390 1.00 0.00 O ATOM 1485 CB SER A 91 104.671 -10.931 9.604 1.00 0.00 C ATOM 1486 OG SER A 91 104.457 -12.182 8.962 1.00 0.00 O ATOM 0 H SER A 91 102.524 -12.443 11.467 1.00 0.00 H new ATOM 0 HA SER A 91 104.286 -11.004 11.724 1.00 0.00 H new ATOM 0 HB2 SER A 91 104.491 -10.115 8.905 1.00 0.00 H new ATOM 0 HB3 SER A 91 105.708 -10.849 9.929 1.00 0.00 H new ATOM 0 HG SER A 91 105.320 -12.613 8.789 1.00 0.00 H new ATOM 1492 N PHE A 92 103.873 -8.469 11.413 1.00 0.00 N ATOM 1493 CA PHE A 92 103.367 -7.070 11.494 1.00 0.00 C ATOM 1494 C PHE A 92 103.410 -6.433 10.102 1.00 0.00 C ATOM 1495 O PHE A 92 103.797 -7.060 9.135 1.00 0.00 O ATOM 1496 CB PHE A 92 104.257 -6.266 12.447 1.00 0.00 C ATOM 1497 CG PHE A 92 105.591 -6.005 11.785 1.00 0.00 C ATOM 1498 CD1 PHE A 92 106.612 -6.960 11.865 1.00 0.00 C ATOM 1499 CD2 PHE A 92 105.803 -4.811 11.086 1.00 0.00 C ATOM 1500 CE1 PHE A 92 107.843 -6.719 11.245 1.00 0.00 C ATOM 1501 CE2 PHE A 92 107.034 -4.571 10.469 1.00 0.00 C ATOM 1502 CZ PHE A 92 108.054 -5.524 10.546 1.00 0.00 C ATOM 0 H PHE A 92 104.798 -8.619 11.817 1.00 0.00 H new ATOM 0 HA PHE A 92 102.341 -7.072 11.863 1.00 0.00 H new ATOM 0 HB2 PHE A 92 103.775 -5.323 12.704 1.00 0.00 H new ATOM 0 HB3 PHE A 92 104.401 -6.814 13.378 1.00 0.00 H new ATOM 0 HD1 PHE A 92 106.450 -7.881 12.405 1.00 0.00 H new ATOM 0 HD2 PHE A 92 105.015 -4.075 11.023 1.00 0.00 H new ATOM 0 HE1 PHE A 92 108.631 -7.455 11.306 1.00 0.00 H new ATOM 0 HE2 PHE A 92 107.197 -3.648 9.932 1.00 0.00 H new ATOM 0 HZ PHE A 92 109.004 -5.339 10.067 1.00 0.00 H new ATOM 1512 N LEU A 93 103.025 -5.191 9.991 1.00 0.00 N ATOM 1513 CA LEU A 93 103.057 -4.520 8.661 1.00 0.00 C ATOM 1514 C LEU A 93 103.049 -3.003 8.847 1.00 0.00 C ATOM 1515 O LEU A 93 102.390 -2.475 9.721 1.00 0.00 O ATOM 1516 CB LEU A 93 101.832 -4.931 7.841 1.00 0.00 C ATOM 1517 CG LEU A 93 101.941 -4.331 6.436 1.00 0.00 C ATOM 1518 CD1 LEU A 93 101.306 -5.282 5.422 1.00 0.00 C ATOM 1519 CD2 LEU A 93 101.209 -2.988 6.391 1.00 0.00 C ATOM 0 H LEU A 93 102.690 -4.613 10.762 1.00 0.00 H new ATOM 0 HA LEU A 93 103.964 -4.820 8.136 1.00 0.00 H new ATOM 0 HB2 LEU A 93 101.768 -6.017 7.781 1.00 0.00 H new ATOM 0 HB3 LEU A 93 100.921 -4.584 8.328 1.00 0.00 H new ATOM 0 HG LEU A 93 102.993 -4.182 6.191 1.00 0.00 H new ATOM 0 HD11 LEU A 93 101.384 -4.854 4.423 1.00 0.00 H new ATOM 0 HD12 LEU A 93 101.825 -6.240 5.448 1.00 0.00 H new ATOM 0 HD13 LEU A 93 100.255 -5.431 5.671 1.00 0.00 H new ATOM 0 HD21 LEU A 93 101.288 -2.564 5.390 1.00 0.00 H new ATOM 0 HD22 LEU A 93 100.158 -3.138 6.639 1.00 0.00 H new ATOM 0 HD23 LEU A 93 101.658 -2.304 7.112 1.00 0.00 H new ATOM 1531 N ILE A 94 103.769 -2.298 8.021 1.00 0.00 N ATOM 1532 CA ILE A 94 103.801 -0.814 8.130 1.00 0.00 C ATOM 1533 C ILE A 94 103.935 -0.220 6.727 1.00 0.00 C ATOM 1534 O ILE A 94 104.957 0.329 6.368 1.00 0.00 O ATOM 1535 CB ILE A 94 104.991 -0.384 8.993 1.00 0.00 C ATOM 1536 CG1 ILE A 94 104.673 -0.655 10.465 1.00 0.00 C ATOM 1537 CG2 ILE A 94 105.254 1.112 8.800 1.00 0.00 C ATOM 1538 CD1 ILE A 94 105.573 -1.777 10.980 1.00 0.00 C ATOM 0 H ILE A 94 104.340 -2.688 7.271 1.00 0.00 H new ATOM 0 HA ILE A 94 102.882 -0.457 8.595 1.00 0.00 H new ATOM 0 HB ILE A 94 105.875 -0.949 8.697 1.00 0.00 H new ATOM 0 HG12 ILE A 94 104.827 0.249 11.054 1.00 0.00 H new ATOM 0 HG13 ILE A 94 103.625 -0.934 10.577 1.00 0.00 H new ATOM 0 HG21 ILE A 94 106.101 1.415 9.415 1.00 0.00 H new ATOM 0 HG22 ILE A 94 105.478 1.310 7.752 1.00 0.00 H new ATOM 0 HG23 ILE A 94 104.370 1.678 9.095 1.00 0.00 H new ATOM 0 HD11 ILE A 94 105.348 -1.972 12.029 1.00 0.00 H new ATOM 0 HD12 ILE A 94 105.397 -2.681 10.397 1.00 0.00 H new ATOM 0 HD13 ILE A 94 106.617 -1.480 10.882 1.00 0.00 H new ATOM 1550 N CYS A 95 102.907 -0.329 5.931 1.00 0.00 N ATOM 1551 CA CYS A 95 102.973 0.226 4.552 1.00 0.00 C ATOM 1552 C CYS A 95 102.693 1.729 4.605 1.00 0.00 C ATOM 1553 O CYS A 95 101.960 2.200 5.452 1.00 0.00 O ATOM 1554 CB CYS A 95 101.922 -0.457 3.675 1.00 0.00 C ATOM 1555 SG CYS A 95 101.884 0.338 2.049 1.00 0.00 S ATOM 0 H CYS A 95 102.025 -0.778 6.177 1.00 0.00 H new ATOM 0 HA CYS A 95 103.963 0.049 4.132 1.00 0.00 H new ATOM 0 HB2 CYS A 95 102.155 -1.517 3.568 1.00 0.00 H new ATOM 0 HB3 CYS A 95 100.941 -0.392 4.147 1.00 0.00 H new ATOM 0 HG CYS A 95 100.993 -0.243 1.302 1.00 0.00 H new ATOM 1561 N LYS A 96 103.269 2.489 3.716 1.00 0.00 N ATOM 1562 CA LYS A 96 103.027 3.958 3.734 1.00 0.00 C ATOM 1563 C LYS A 96 103.373 4.556 2.371 1.00 0.00 C ATOM 1564 O LYS A 96 103.724 3.854 1.443 1.00 0.00 O ATOM 1565 CB LYS A 96 103.906 4.602 4.808 1.00 0.00 C ATOM 1566 CG LYS A 96 103.032 5.090 5.964 1.00 0.00 C ATOM 1567 CD LYS A 96 103.923 5.504 7.136 1.00 0.00 C ATOM 1568 CE LYS A 96 103.199 5.222 8.454 1.00 0.00 C ATOM 1569 NZ LYS A 96 102.177 6.278 8.695 1.00 0.00 N ATOM 0 H LYS A 96 103.894 2.158 2.981 1.00 0.00 H new ATOM 0 HA LYS A 96 101.977 4.148 3.954 1.00 0.00 H new ATOM 0 HB2 LYS A 96 104.639 3.882 5.172 1.00 0.00 H new ATOM 0 HB3 LYS A 96 104.463 5.437 4.383 1.00 0.00 H new ATOM 0 HG2 LYS A 96 102.421 5.933 5.642 1.00 0.00 H new ATOM 0 HG3 LYS A 96 102.347 4.301 6.275 1.00 0.00 H new ATOM 0 HD2 LYS A 96 104.865 4.956 7.102 1.00 0.00 H new ATOM 0 HD3 LYS A 96 104.168 6.564 7.063 1.00 0.00 H new ATOM 0 HE2 LYS A 96 102.723 4.242 8.417 1.00 0.00 H new ATOM 0 HE3 LYS A 96 103.914 5.199 9.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 101.685 6.087 9.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 102.643 7.206 8.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 101.489 6.279 7.915 1.00 0.00 H new ATOM 1583 N GLY A 97 103.283 5.852 2.245 1.00 0.00 N ATOM 1584 CA GLY A 97 103.616 6.502 0.948 1.00 0.00 C ATOM 1585 C GLY A 97 105.003 7.134 1.047 1.00 0.00 C ATOM 1586 O GLY A 97 105.520 7.346 2.127 1.00 0.00 O ATOM 0 H GLY A 97 102.992 6.489 2.987 1.00 0.00 H new ATOM 0 HA2 GLY A 97 103.594 5.768 0.143 1.00 0.00 H new ATOM 0 HA3 GLY A 97 102.873 7.262 0.707 1.00 0.00 H new ATOM 1590 N VAL A 98 105.617 7.431 -0.063 1.00 0.00 N ATOM 1591 CA VAL A 98 106.976 8.043 -0.013 1.00 0.00 C ATOM 1592 C VAL A 98 106.937 9.445 -0.622 1.00 0.00 C ATOM 1593 O VAL A 98 106.338 9.669 -1.655 1.00 0.00 O ATOM 1594 CB VAL A 98 107.958 7.175 -0.803 1.00 0.00 C ATOM 1595 CG1 VAL A 98 109.363 7.330 -0.219 1.00 0.00 C ATOM 1596 CG2 VAL A 98 107.531 5.708 -0.713 1.00 0.00 C ATOM 0 H VAL A 98 105.241 7.278 -0.999 1.00 0.00 H new ATOM 0 HA VAL A 98 107.299 8.109 1.026 1.00 0.00 H new ATOM 0 HB VAL A 98 107.960 7.491 -1.846 1.00 0.00 H new ATOM 0 HG11 VAL A 98 110.062 6.711 -0.782 1.00 0.00 H new ATOM 0 HG12 VAL A 98 109.670 8.374 -0.282 1.00 0.00 H new ATOM 0 HG13 VAL A 98 109.360 7.015 0.825 1.00 0.00 H new ATOM 0 HG21 VAL A 98 108.231 5.090 -1.276 1.00 0.00 H new ATOM 0 HG22 VAL A 98 107.527 5.393 0.331 1.00 0.00 H new ATOM 0 HG23 VAL A 98 106.530 5.594 -1.130 1.00 0.00 H new ATOM 1606 N ASN A 99 107.580 10.389 0.008 1.00 0.00 N ATOM 1607 CA ASN A 99 107.592 11.776 -0.534 1.00 0.00 C ATOM 1608 C ASN A 99 108.815 11.950 -1.434 1.00 0.00 C ATOM 1609 O ASN A 99 108.738 12.520 -2.504 1.00 0.00 O ATOM 1610 CB ASN A 99 107.661 12.775 0.623 1.00 0.00 C ATOM 1611 CG ASN A 99 106.246 13.209 1.009 1.00 0.00 C ATOM 1612 OD1 ASN A 99 105.282 12.551 0.670 1.00 0.00 O ATOM 1613 ND2 ASN A 99 106.079 14.297 1.711 1.00 0.00 N ATOM 0 H ASN A 99 108.099 10.259 0.877 1.00 0.00 H new ATOM 0 HA ASN A 99 106.684 11.955 -1.110 1.00 0.00 H new ATOM 0 HB2 ASN A 99 108.160 12.321 1.479 1.00 0.00 H new ATOM 0 HB3 ASN A 99 108.252 13.643 0.333 1.00 0.00 H new ATOM 0 HD21 ASN A 99 105.140 14.595 1.975 1.00 0.00 H new ATOM 0 HD22 ASN A 99 106.888 14.849 1.996 1.00 0.00 H new ATOM 1620 N LYS A 100 109.946 11.454 -1.010 1.00 0.00 N ATOM 1621 CA LYS A 100 111.179 11.579 -1.838 1.00 0.00 C ATOM 1622 C LYS A 100 111.638 10.183 -2.265 1.00 0.00 C ATOM 1623 O LYS A 100 112.572 9.630 -1.719 1.00 0.00 O ATOM 1624 CB LYS A 100 112.282 12.253 -1.021 1.00 0.00 C ATOM 1625 CG LYS A 100 112.577 13.636 -1.604 1.00 0.00 C ATOM 1626 CD LYS A 100 111.709 14.683 -0.901 1.00 0.00 C ATOM 1627 CE LYS A 100 111.338 15.786 -1.894 1.00 0.00 C ATOM 1628 NZ LYS A 100 110.091 16.464 -1.439 1.00 0.00 N ATOM 0 H LYS A 100 110.069 10.966 -0.123 1.00 0.00 H new ATOM 0 HA LYS A 100 110.968 12.183 -2.720 1.00 0.00 H new ATOM 0 HB2 LYS A 100 111.974 12.344 0.020 1.00 0.00 H new ATOM 0 HB3 LYS A 100 113.184 11.641 -1.034 1.00 0.00 H new ATOM 0 HG2 LYS A 100 113.632 13.878 -1.477 1.00 0.00 H new ATOM 0 HG3 LYS A 100 112.376 13.641 -2.675 1.00 0.00 H new ATOM 0 HD2 LYS A 100 110.807 14.217 -0.505 1.00 0.00 H new ATOM 0 HD3 LYS A 100 112.247 15.108 -0.053 1.00 0.00 H new ATOM 0 HE2 LYS A 100 112.150 16.509 -1.972 1.00 0.00 H new ATOM 0 HE3 LYS A 100 111.193 15.362 -2.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 109.838 17.214 -2.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 109.318 15.770 -1.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 110.246 16.881 -0.499 1.00 0.00 H new ATOM 1642 N GLU A 101 110.980 9.611 -3.234 1.00 0.00 N ATOM 1643 CA GLU A 101 111.364 8.249 -3.702 1.00 0.00 C ATOM 1644 C GLU A 101 112.884 8.160 -3.845 1.00 0.00 C ATOM 1645 O GLU A 101 113.545 7.456 -3.109 1.00 0.00 O ATOM 1646 CB GLU A 101 110.719 7.968 -5.064 1.00 0.00 C ATOM 1647 CG GLU A 101 109.316 8.578 -5.120 1.00 0.00 C ATOM 1648 CD GLU A 101 109.375 9.940 -5.816 1.00 0.00 C ATOM 1649 OE1 GLU A 101 109.844 9.990 -6.941 1.00 0.00 O ATOM 1650 OE2 GLU A 101 108.950 10.911 -5.210 1.00 0.00 O ATOM 0 H GLU A 101 110.189 10.029 -3.724 1.00 0.00 H new ATOM 0 HA GLU A 101 111.020 7.515 -2.973 1.00 0.00 H new ATOM 0 HB2 GLU A 101 111.337 8.384 -5.860 1.00 0.00 H new ATOM 0 HB3 GLU A 101 110.663 6.893 -5.233 1.00 0.00 H new ATOM 0 HG2 GLU A 101 108.641 7.913 -5.658 1.00 0.00 H new ATOM 0 HG3 GLU A 101 108.917 8.691 -4.112 1.00 0.00 H new ATOM 1657 N TYR A 102 113.432 8.860 -4.801 1.00 0.00 N ATOM 1658 CA TYR A 102 114.907 8.823 -5.028 1.00 0.00 C ATOM 1659 C TYR A 102 115.666 8.727 -3.702 1.00 0.00 C ATOM 1660 O TYR A 102 116.185 7.689 -3.355 1.00 0.00 O ATOM 1661 CB TYR A 102 115.344 10.093 -5.759 1.00 0.00 C ATOM 1662 CG TYR A 102 116.807 9.984 -6.116 1.00 0.00 C ATOM 1663 CD1 TYR A 102 117.789 10.228 -5.145 1.00 0.00 C ATOM 1664 CD2 TYR A 102 117.182 9.634 -7.419 1.00 0.00 C ATOM 1665 CE1 TYR A 102 119.145 10.122 -5.481 1.00 0.00 C ATOM 1666 CE2 TYR A 102 118.536 9.530 -7.754 1.00 0.00 C ATOM 1667 CZ TYR A 102 119.518 9.773 -6.785 1.00 0.00 C ATOM 1668 OH TYR A 102 120.854 9.670 -7.115 1.00 0.00 O ATOM 0 H TYR A 102 112.916 9.463 -5.442 1.00 0.00 H new ATOM 0 HA TYR A 102 115.136 7.942 -5.628 1.00 0.00 H new ATOM 0 HB2 TYR A 102 114.747 10.231 -6.660 1.00 0.00 H new ATOM 0 HB3 TYR A 102 115.176 10.966 -5.128 1.00 0.00 H new ATOM 0 HD1 TYR A 102 117.500 10.497 -4.140 1.00 0.00 H new ATOM 0 HD2 TYR A 102 116.425 9.444 -8.166 1.00 0.00 H new ATOM 0 HE1 TYR A 102 119.903 10.309 -4.734 1.00 0.00 H new ATOM 0 HE2 TYR A 102 118.824 9.262 -8.760 1.00 0.00 H new ATOM 0 HH TYR A 102 120.940 9.419 -8.058 1.00 0.00 H new ATOM 1678 N LEU A 103 115.756 9.808 -2.978 1.00 0.00 N ATOM 1679 CA LEU A 103 116.509 9.792 -1.688 1.00 0.00 C ATOM 1680 C LEU A 103 116.271 8.482 -0.932 1.00 0.00 C ATOM 1681 O LEU A 103 117.177 7.698 -0.739 1.00 0.00 O ATOM 1682 CB LEU A 103 116.054 10.965 -0.814 1.00 0.00 C ATOM 1683 CG LEU A 103 117.211 11.951 -0.618 1.00 0.00 C ATOM 1684 CD1 LEU A 103 116.868 12.924 0.511 1.00 0.00 C ATOM 1685 CD2 LEU A 103 118.487 11.187 -0.256 1.00 0.00 C ATOM 0 H LEU A 103 115.340 10.706 -3.223 1.00 0.00 H new ATOM 0 HA LEU A 103 117.572 9.880 -1.911 1.00 0.00 H new ATOM 0 HB2 LEU A 103 115.209 11.471 -1.281 1.00 0.00 H new ATOM 0 HB3 LEU A 103 115.711 10.597 0.153 1.00 0.00 H new ATOM 0 HG LEU A 103 117.370 12.504 -1.544 1.00 0.00 H new ATOM 0 HD11 LEU A 103 117.691 13.625 0.650 1.00 0.00 H new ATOM 0 HD12 LEU A 103 115.962 13.474 0.255 1.00 0.00 H new ATOM 0 HD13 LEU A 103 116.706 12.368 1.434 1.00 0.00 H new ATOM 0 HD21 LEU A 103 119.307 11.892 -0.118 1.00 0.00 H new ATOM 0 HD22 LEU A 103 118.328 10.630 0.667 1.00 0.00 H new ATOM 0 HD23 LEU A 103 118.736 10.494 -1.059 1.00 0.00 H new ATOM 1697 N MET A 104 115.065 8.249 -0.488 1.00 0.00 N ATOM 1698 CA MET A 104 114.766 7.000 0.277 1.00 0.00 C ATOM 1699 C MET A 104 115.539 5.811 -0.305 1.00 0.00 C ATOM 1700 O MET A 104 116.279 5.143 0.390 1.00 0.00 O ATOM 1701 CB MET A 104 113.266 6.711 0.208 1.00 0.00 C ATOM 1702 CG MET A 104 112.876 5.758 1.340 1.00 0.00 C ATOM 1703 SD MET A 104 111.373 6.362 2.146 1.00 0.00 S ATOM 1704 CE MET A 104 111.314 5.126 3.468 1.00 0.00 C ATOM 0 H MET A 104 114.269 8.872 -0.622 1.00 0.00 H new ATOM 0 HA MET A 104 115.072 7.143 1.313 1.00 0.00 H new ATOM 0 HB2 MET A 104 112.702 7.640 0.290 1.00 0.00 H new ATOM 0 HB3 MET A 104 113.014 6.269 -0.756 1.00 0.00 H new ATOM 0 HG2 MET A 104 112.712 4.755 0.945 1.00 0.00 H new ATOM 0 HG3 MET A 104 113.687 5.686 2.065 1.00 0.00 H new ATOM 0 HE1 MET A 104 110.286 4.790 3.606 1.00 0.00 H new ATOM 0 HE2 MET A 104 111.941 4.276 3.200 1.00 0.00 H new ATOM 0 HE3 MET A 104 111.679 5.567 4.395 1.00 0.00 H new ATOM 1714 N TYR A 105 115.371 5.533 -1.568 1.00 0.00 N ATOM 1715 CA TYR A 105 116.093 4.381 -2.181 1.00 0.00 C ATOM 1716 C TYR A 105 117.603 4.533 -1.963 1.00 0.00 C ATOM 1717 O TYR A 105 118.284 3.592 -1.609 1.00 0.00 O ATOM 1718 CB TYR A 105 115.791 4.329 -3.682 1.00 0.00 C ATOM 1719 CG TYR A 105 116.756 3.385 -4.359 1.00 0.00 C ATOM 1720 CD1 TYR A 105 116.501 2.009 -4.372 1.00 0.00 C ATOM 1721 CD2 TYR A 105 117.913 3.889 -4.969 1.00 0.00 C ATOM 1722 CE1 TYR A 105 117.403 1.138 -4.995 1.00 0.00 C ATOM 1723 CE2 TYR A 105 118.812 3.018 -5.590 1.00 0.00 C ATOM 1724 CZ TYR A 105 118.559 1.642 -5.603 1.00 0.00 C ATOM 1725 OH TYR A 105 119.447 0.783 -6.217 1.00 0.00 O ATOM 0 H TYR A 105 114.765 6.053 -2.203 1.00 0.00 H new ATOM 0 HA TYR A 105 115.758 3.457 -1.710 1.00 0.00 H new ATOM 0 HB2 TYR A 105 114.766 3.997 -3.846 1.00 0.00 H new ATOM 0 HB3 TYR A 105 115.876 5.325 -4.115 1.00 0.00 H new ATOM 0 HD1 TYR A 105 115.610 1.620 -3.902 1.00 0.00 H new ATOM 0 HD2 TYR A 105 118.110 4.951 -4.959 1.00 0.00 H new ATOM 0 HE1 TYR A 105 117.207 0.076 -5.007 1.00 0.00 H new ATOM 0 HE2 TYR A 105 119.703 3.407 -6.060 1.00 0.00 H new ATOM 0 HH TYR A 105 119.682 1.133 -7.102 1.00 0.00 H new ATOM 1735 N SER A 106 118.134 5.707 -2.178 1.00 0.00 N ATOM 1736 CA SER A 106 119.599 5.912 -1.989 1.00 0.00 C ATOM 1737 C SER A 106 119.986 5.562 -0.550 1.00 0.00 C ATOM 1738 O SER A 106 120.702 4.612 -0.305 1.00 0.00 O ATOM 1739 CB SER A 106 119.948 7.374 -2.268 1.00 0.00 C ATOM 1740 OG SER A 106 119.551 7.707 -3.592 1.00 0.00 O ATOM 0 H SER A 106 117.616 6.533 -2.477 1.00 0.00 H new ATOM 0 HA SER A 106 120.146 5.268 -2.677 1.00 0.00 H new ATOM 0 HB2 SER A 106 119.445 8.023 -1.551 1.00 0.00 H new ATOM 0 HB3 SER A 106 121.019 7.534 -2.146 1.00 0.00 H new ATOM 0 HG SER A 106 119.607 8.678 -3.716 1.00 0.00 H new ATOM 1746 N ALA A 107 119.517 6.319 0.402 1.00 0.00 N ATOM 1747 CA ALA A 107 119.858 6.025 1.822 1.00 0.00 C ATOM 1748 C ALA A 107 119.496 4.571 2.138 1.00 0.00 C ATOM 1749 O ALA A 107 119.978 3.995 3.094 1.00 0.00 O ATOM 1750 CB ALA A 107 119.068 6.961 2.740 1.00 0.00 C ATOM 0 H ALA A 107 118.913 7.128 0.259 1.00 0.00 H new ATOM 0 HA ALA A 107 120.925 6.178 1.982 1.00 0.00 H new ATOM 0 HB1 ALA A 107 119.317 6.747 3.779 1.00 0.00 H new ATOM 0 HB2 ALA A 107 119.324 7.996 2.512 1.00 0.00 H new ATOM 0 HB3 ALA A 107 118.000 6.808 2.584 1.00 0.00 H new ATOM 1756 N LEU A 108 118.651 3.976 1.342 1.00 0.00 N ATOM 1757 CA LEU A 108 118.252 2.562 1.593 1.00 0.00 C ATOM 1758 C LEU A 108 119.378 1.622 1.154 1.00 0.00 C ATOM 1759 O LEU A 108 119.651 0.626 1.794 1.00 0.00 O ATOM 1760 CB LEU A 108 116.985 2.245 0.796 1.00 0.00 C ATOM 1761 CG LEU A 108 115.756 2.521 1.662 1.00 0.00 C ATOM 1762 CD1 LEU A 108 114.490 2.170 0.878 1.00 0.00 C ATOM 1763 CD2 LEU A 108 115.826 1.665 2.930 1.00 0.00 C ATOM 0 H LEU A 108 118.218 4.409 0.526 1.00 0.00 H new ATOM 0 HA LEU A 108 118.061 2.423 2.657 1.00 0.00 H new ATOM 0 HB2 LEU A 108 116.950 2.853 -0.108 1.00 0.00 H new ATOM 0 HB3 LEU A 108 116.993 1.202 0.479 1.00 0.00 H new ATOM 0 HG LEU A 108 115.732 3.576 1.935 1.00 0.00 H new ATOM 0 HD11 LEU A 108 113.613 2.367 1.495 1.00 0.00 H new ATOM 0 HD12 LEU A 108 114.441 2.778 -0.026 1.00 0.00 H new ATOM 0 HD13 LEU A 108 114.512 1.115 0.605 1.00 0.00 H new ATOM 0 HD21 LEU A 108 114.951 1.860 3.549 1.00 0.00 H new ATOM 0 HD22 LEU A 108 115.849 0.610 2.656 1.00 0.00 H new ATOM 0 HD23 LEU A 108 116.728 1.915 3.488 1.00 0.00 H new ATOM 1775 N THR A 109 120.031 1.927 0.066 1.00 0.00 N ATOM 1776 CA THR A 109 121.136 1.047 -0.412 1.00 0.00 C ATOM 1777 C THR A 109 122.403 1.340 0.392 1.00 0.00 C ATOM 1778 O THR A 109 123.343 0.570 0.391 1.00 0.00 O ATOM 1779 CB THR A 109 121.400 1.319 -1.896 1.00 0.00 C ATOM 1780 OG1 THR A 109 121.976 2.609 -2.045 1.00 0.00 O ATOM 1781 CG2 THR A 109 120.084 1.253 -2.670 1.00 0.00 C ATOM 0 H THR A 109 119.848 2.747 -0.513 1.00 0.00 H new ATOM 0 HA THR A 109 120.853 0.003 -0.279 1.00 0.00 H new ATOM 0 HB THR A 109 122.086 0.568 -2.287 1.00 0.00 H new ATOM 0 HG1 THR A 109 121.521 3.241 -1.450 1.00 0.00 H new ATOM 0 HG21 THR A 109 120.273 1.447 -3.726 1.00 0.00 H new ATOM 0 HG22 THR A 109 119.644 0.262 -2.556 1.00 0.00 H new ATOM 0 HG23 THR A 109 119.395 2.003 -2.281 1.00 0.00 H new ATOM 1789 N ARG A 110 122.436 2.446 1.082 1.00 0.00 N ATOM 1790 CA ARG A 110 123.642 2.785 1.887 1.00 0.00 C ATOM 1791 C ARG A 110 123.406 2.388 3.345 1.00 0.00 C ATOM 1792 O ARG A 110 122.315 2.520 3.867 1.00 0.00 O ATOM 1793 CB ARG A 110 123.907 4.290 1.804 1.00 0.00 C ATOM 1794 CG ARG A 110 125.227 4.536 1.071 1.00 0.00 C ATOM 1795 CD ARG A 110 126.060 5.559 1.846 1.00 0.00 C ATOM 1796 NE ARG A 110 127.309 4.912 2.337 1.00 0.00 N ATOM 1797 CZ ARG A 110 128.453 5.528 2.218 1.00 0.00 C ATOM 1798 NH1 ARG A 110 128.799 6.046 1.072 1.00 0.00 N ATOM 1799 NH2 ARG A 110 129.252 5.625 3.244 1.00 0.00 N ATOM 0 H ARG A 110 121.680 3.130 1.123 1.00 0.00 H new ATOM 0 HA ARG A 110 124.504 2.244 1.496 1.00 0.00 H new ATOM 0 HB2 ARG A 110 123.090 4.786 1.280 1.00 0.00 H new ATOM 0 HB3 ARG A 110 123.950 4.718 2.805 1.00 0.00 H new ATOM 0 HG2 ARG A 110 125.780 3.602 0.972 1.00 0.00 H new ATOM 0 HG3 ARG A 110 125.032 4.900 0.062 1.00 0.00 H new ATOM 0 HD2 ARG A 110 126.304 6.406 1.205 1.00 0.00 H new ATOM 0 HD3 ARG A 110 125.486 5.950 2.686 1.00 0.00 H new ATOM 0 HE ARG A 110 127.270 3.988 2.766 1.00 0.00 H new ATOM 0 HH11 ARG A 110 128.175 5.970 0.269 1.00 0.00 H new ATOM 0 HH12 ARG A 110 129.693 6.528 0.979 1.00 0.00 H new ATOM 0 HH21 ARG A 110 128.983 5.219 4.140 1.00 0.00 H new ATOM 0 HH22 ARG A 110 130.146 6.107 3.150 1.00 0.00 H new ATOM 1813 N ASP A 111 124.417 1.901 4.008 1.00 0.00 N ATOM 1814 CA ASP A 111 124.244 1.496 5.430 1.00 0.00 C ATOM 1815 C ASP A 111 123.465 2.583 6.176 1.00 0.00 C ATOM 1816 O ASP A 111 123.444 3.725 5.760 1.00 0.00 O ATOM 1817 CB ASP A 111 125.618 1.318 6.081 1.00 0.00 C ATOM 1818 CG ASP A 111 126.471 2.562 5.823 1.00 0.00 C ATOM 1819 OD1 ASP A 111 127.094 2.623 4.775 1.00 0.00 O ATOM 1820 OD2 ASP A 111 126.487 3.433 6.677 1.00 0.00 O ATOM 0 H ASP A 111 125.354 1.766 3.628 1.00 0.00 H new ATOM 0 HA ASP A 111 123.695 0.555 5.477 1.00 0.00 H new ATOM 0 HB2 ASP A 111 125.506 1.157 7.153 1.00 0.00 H new ATOM 0 HB3 ASP A 111 126.112 0.435 5.676 1.00 0.00 H new ATOM 1825 N PRO A 112 122.854 2.194 7.264 1.00 0.00 N ATOM 1826 CA PRO A 112 122.888 0.806 7.757 1.00 0.00 C ATOM 1827 C PRO A 112 121.872 -0.060 7.001 1.00 0.00 C ATOM 1828 O PRO A 112 121.635 -1.199 7.351 1.00 0.00 O ATOM 1829 CB PRO A 112 122.490 0.942 9.229 1.00 0.00 C ATOM 1830 CG PRO A 112 121.710 2.274 9.350 1.00 0.00 C ATOM 1831 CD PRO A 112 122.077 3.117 8.113 1.00 0.00 C ATOM 0 HA PRO A 112 123.858 0.328 7.619 1.00 0.00 H new ATOM 0 HB2 PRO A 112 121.873 0.101 9.544 1.00 0.00 H new ATOM 0 HB3 PRO A 112 123.371 0.948 9.871 1.00 0.00 H new ATOM 0 HG2 PRO A 112 120.636 2.091 9.389 1.00 0.00 H new ATOM 0 HG3 PRO A 112 121.978 2.797 10.268 1.00 0.00 H new ATOM 0 HD2 PRO A 112 121.186 3.477 7.598 1.00 0.00 H new ATOM 0 HD3 PRO A 112 122.663 3.994 8.388 1.00 0.00 H new ATOM 1839 N PHE A 113 121.263 0.471 5.974 1.00 0.00 N ATOM 1840 CA PHE A 113 120.260 -0.327 5.212 1.00 0.00 C ATOM 1841 C PHE A 113 120.961 -1.158 4.134 1.00 0.00 C ATOM 1842 O PHE A 113 121.645 -0.633 3.278 1.00 0.00 O ATOM 1843 CB PHE A 113 119.253 0.620 4.560 1.00 0.00 C ATOM 1844 CG PHE A 113 118.463 1.313 5.643 1.00 0.00 C ATOM 1845 CD1 PHE A 113 117.803 0.555 6.615 1.00 0.00 C ATOM 1846 CD2 PHE A 113 118.400 2.710 5.685 1.00 0.00 C ATOM 1847 CE1 PHE A 113 117.082 1.186 7.627 1.00 0.00 C ATOM 1848 CE2 PHE A 113 117.673 3.346 6.698 1.00 0.00 C ATOM 1849 CZ PHE A 113 117.012 2.584 7.670 1.00 0.00 C ATOM 0 H PHE A 113 121.416 1.419 5.631 1.00 0.00 H new ATOM 0 HA PHE A 113 119.741 -1.001 5.894 1.00 0.00 H new ATOM 0 HB2 PHE A 113 119.771 1.354 3.943 1.00 0.00 H new ATOM 0 HB3 PHE A 113 118.584 0.065 3.902 1.00 0.00 H new ATOM 0 HD1 PHE A 113 117.852 -0.523 6.581 1.00 0.00 H new ATOM 0 HD2 PHE A 113 118.912 3.297 4.937 1.00 0.00 H new ATOM 0 HE1 PHE A 113 116.577 0.597 8.378 1.00 0.00 H new ATOM 0 HE2 PHE A 113 117.622 4.424 6.730 1.00 0.00 H new ATOM 0 HZ PHE A 113 116.449 3.074 8.451 1.00 0.00 H new ATOM 1859 N SER A 114 120.790 -2.453 4.169 1.00 0.00 N ATOM 1860 CA SER A 114 121.440 -3.321 3.146 1.00 0.00 C ATOM 1861 C SER A 114 120.499 -3.486 1.952 1.00 0.00 C ATOM 1862 O SER A 114 119.514 -2.786 1.825 1.00 0.00 O ATOM 1863 CB SER A 114 121.742 -4.691 3.753 1.00 0.00 C ATOM 1864 OG SER A 114 123.148 -4.902 3.761 1.00 0.00 O ATOM 0 H SER A 114 120.228 -2.947 4.862 1.00 0.00 H new ATOM 0 HA SER A 114 122.371 -2.861 2.816 1.00 0.00 H new ATOM 0 HB2 SER A 114 121.349 -4.746 4.768 1.00 0.00 H new ATOM 0 HB3 SER A 114 121.249 -5.474 3.177 1.00 0.00 H new ATOM 0 HG SER A 114 123.345 -5.779 4.151 1.00 0.00 H new ATOM 1870 N VAL A 115 120.793 -4.403 1.072 1.00 0.00 N ATOM 1871 CA VAL A 115 119.915 -4.602 -0.114 1.00 0.00 C ATOM 1872 C VAL A 115 119.770 -6.098 -0.404 1.00 0.00 C ATOM 1873 O VAL A 115 120.730 -6.777 -0.707 1.00 0.00 O ATOM 1874 CB VAL A 115 120.544 -3.910 -1.322 1.00 0.00 C ATOM 1875 CG1 VAL A 115 119.713 -4.206 -2.573 1.00 0.00 C ATOM 1876 CG2 VAL A 115 120.583 -2.399 -1.082 1.00 0.00 C ATOM 0 H VAL A 115 121.602 -5.022 1.123 1.00 0.00 H new ATOM 0 HA VAL A 115 118.931 -4.178 0.085 1.00 0.00 H new ATOM 0 HB VAL A 115 121.559 -4.282 -1.464 1.00 0.00 H new ATOM 0 HG11 VAL A 115 120.163 -3.712 -3.434 1.00 0.00 H new ATOM 0 HG12 VAL A 115 119.686 -5.282 -2.746 1.00 0.00 H new ATOM 0 HG13 VAL A 115 118.698 -3.835 -2.431 1.00 0.00 H new ATOM 0 HG21 VAL A 115 121.032 -1.905 -1.944 1.00 0.00 H new ATOM 0 HG22 VAL A 115 119.569 -2.027 -0.938 1.00 0.00 H new ATOM 0 HG23 VAL A 115 121.177 -2.187 -0.193 1.00 0.00 H new ATOM 1886 N ILE A 116 118.573 -6.618 -0.325 1.00 0.00 N ATOM 1887 CA ILE A 116 118.376 -8.069 -0.607 1.00 0.00 C ATOM 1888 C ILE A 116 118.320 -8.283 -2.119 1.00 0.00 C ATOM 1889 O ILE A 116 119.166 -8.939 -2.694 1.00 0.00 O ATOM 1890 CB ILE A 116 117.062 -8.549 0.012 1.00 0.00 C ATOM 1891 CG1 ILE A 116 117.007 -8.139 1.484 1.00 0.00 C ATOM 1892 CG2 ILE A 116 116.978 -10.072 -0.094 1.00 0.00 C ATOM 1893 CD1 ILE A 116 115.747 -8.721 2.125 1.00 0.00 C ATOM 0 H ILE A 116 117.728 -6.103 -0.079 1.00 0.00 H new ATOM 0 HA ILE A 116 119.204 -8.632 -0.178 1.00 0.00 H new ATOM 0 HB ILE A 116 116.225 -8.098 -0.521 1.00 0.00 H new ATOM 0 HG12 ILE A 116 117.894 -8.498 2.007 1.00 0.00 H new ATOM 0 HG13 ILE A 116 117.004 -7.052 1.571 1.00 0.00 H new ATOM 0 HG21 ILE A 116 116.042 -10.416 0.347 1.00 0.00 H new ATOM 0 HG22 ILE A 116 117.015 -10.366 -1.143 1.00 0.00 H new ATOM 0 HG23 ILE A 116 117.817 -10.521 0.439 1.00 0.00 H new ATOM 0 HD11 ILE A 116 115.705 -8.430 3.175 1.00 0.00 H new ATOM 0 HD12 ILE A 116 114.866 -8.340 1.608 1.00 0.00 H new ATOM 0 HD13 ILE A 116 115.770 -9.808 2.050 1.00 0.00 H new ATOM 1905 N GLU A 117 117.329 -7.736 -2.770 1.00 0.00 N ATOM 1906 CA GLU A 117 117.226 -7.915 -4.248 1.00 0.00 C ATOM 1907 C GLU A 117 116.327 -6.828 -4.841 1.00 0.00 C ATOM 1908 O GLU A 117 115.698 -6.071 -4.130 1.00 0.00 O ATOM 1909 CB GLU A 117 116.629 -9.291 -4.554 1.00 0.00 C ATOM 1910 CG GLU A 117 117.684 -10.168 -5.233 1.00 0.00 C ATOM 1911 CD GLU A 117 117.092 -11.549 -5.522 1.00 0.00 C ATOM 1912 OE1 GLU A 117 116.823 -12.267 -4.573 1.00 0.00 O ATOM 1913 OE2 GLU A 117 116.919 -11.866 -6.687 1.00 0.00 O ATOM 0 H GLU A 117 116.590 -7.176 -2.346 1.00 0.00 H new ATOM 0 HA GLU A 117 118.220 -7.840 -4.689 1.00 0.00 H new ATOM 0 HB2 GLU A 117 116.287 -9.763 -3.633 1.00 0.00 H new ATOM 0 HB3 GLU A 117 115.758 -9.185 -5.201 1.00 0.00 H new ATOM 0 HG2 GLU A 117 118.017 -9.702 -6.161 1.00 0.00 H new ATOM 0 HG3 GLU A 117 118.560 -10.263 -4.592 1.00 0.00 H new ATOM 1920 N GLU A 118 116.262 -6.747 -6.143 1.00 0.00 N ATOM 1921 CA GLU A 118 115.405 -5.709 -6.788 1.00 0.00 C ATOM 1922 C GLU A 118 115.037 -6.163 -8.203 1.00 0.00 C ATOM 1923 O GLU A 118 115.677 -7.023 -8.776 1.00 0.00 O ATOM 1924 CB GLU A 118 116.163 -4.378 -6.865 1.00 0.00 C ATOM 1925 CG GLU A 118 117.674 -4.630 -6.820 1.00 0.00 C ATOM 1926 CD GLU A 118 118.408 -3.485 -7.520 1.00 0.00 C ATOM 1927 OE1 GLU A 118 117.767 -2.769 -8.271 1.00 0.00 O ATOM 1928 OE2 GLU A 118 119.598 -3.345 -7.294 1.00 0.00 O ATOM 0 H GLU A 118 116.766 -7.355 -6.789 1.00 0.00 H new ATOM 0 HA GLU A 118 114.500 -5.573 -6.195 1.00 0.00 H new ATOM 0 HB2 GLU A 118 115.901 -3.854 -7.784 1.00 0.00 H new ATOM 0 HB3 GLU A 118 115.869 -3.734 -6.036 1.00 0.00 H new ATOM 0 HG2 GLU A 118 118.008 -4.711 -5.786 1.00 0.00 H new ATOM 0 HG3 GLU A 118 117.909 -5.577 -7.306 1.00 0.00 H new ATOM 1935 N SER A 119 114.013 -5.588 -8.774 1.00 0.00 N ATOM 1936 CA SER A 119 113.609 -5.983 -10.153 1.00 0.00 C ATOM 1937 C SER A 119 114.376 -5.134 -11.168 1.00 0.00 C ATOM 1938 O SER A 119 114.458 -5.465 -12.335 1.00 0.00 O ATOM 1939 CB SER A 119 112.107 -5.755 -10.331 1.00 0.00 C ATOM 1940 OG SER A 119 111.400 -6.892 -9.853 1.00 0.00 O ATOM 0 H SER A 119 113.439 -4.862 -8.345 1.00 0.00 H new ATOM 0 HA SER A 119 113.837 -7.037 -10.311 1.00 0.00 H new ATOM 0 HB2 SER A 119 111.796 -4.863 -9.787 1.00 0.00 H new ATOM 0 HB3 SER A 119 111.875 -5.584 -11.382 1.00 0.00 H new ATOM 0 HG SER A 119 111.326 -6.844 -8.877 1.00 0.00 H new ATOM 1946 N LEU A 120 114.937 -4.039 -10.734 1.00 0.00 N ATOM 1947 CA LEU A 120 115.697 -3.166 -11.672 1.00 0.00 C ATOM 1948 C LEU A 120 117.189 -3.500 -11.586 1.00 0.00 C ATOM 1949 O LEU A 120 117.673 -3.898 -10.545 1.00 0.00 O ATOM 1950 CB LEU A 120 115.483 -1.700 -11.290 1.00 0.00 C ATOM 1951 CG LEU A 120 114.197 -1.186 -11.938 1.00 0.00 C ATOM 1952 CD1 LEU A 120 114.404 -1.050 -13.448 1.00 0.00 C ATOM 1953 CD2 LEU A 120 113.061 -2.176 -11.668 1.00 0.00 C ATOM 0 H LEU A 120 114.902 -3.711 -9.769 1.00 0.00 H new ATOM 0 HA LEU A 120 115.344 -3.334 -12.690 1.00 0.00 H new ATOM 0 HB2 LEU A 120 115.421 -1.601 -10.206 1.00 0.00 H new ATOM 0 HB3 LEU A 120 116.332 -1.100 -11.617 1.00 0.00 H new ATOM 0 HG LEU A 120 113.942 -0.213 -11.517 1.00 0.00 H new ATOM 0 HD11 LEU A 120 113.487 -0.684 -13.909 1.00 0.00 H new ATOM 0 HD12 LEU A 120 115.214 -0.347 -13.642 1.00 0.00 H new ATOM 0 HD13 LEU A 120 114.659 -2.022 -13.869 1.00 0.00 H new ATOM 0 HD21 LEU A 120 112.143 -1.811 -12.129 1.00 0.00 H new ATOM 0 HD22 LEU A 120 113.318 -3.148 -12.089 1.00 0.00 H new ATOM 0 HD23 LEU A 120 112.912 -2.275 -10.593 1.00 0.00 H new ATOM 1965 N PRO A 121 117.871 -3.323 -12.688 1.00 0.00 N ATOM 1966 CA PRO A 121 119.316 -3.593 -12.779 1.00 0.00 C ATOM 1967 C PRO A 121 120.113 -2.434 -12.169 1.00 0.00 C ATOM 1968 O PRO A 121 120.792 -1.703 -12.863 1.00 0.00 O ATOM 1969 CB PRO A 121 119.568 -3.694 -14.286 1.00 0.00 C ATOM 1970 CG PRO A 121 118.412 -2.928 -14.974 1.00 0.00 C ATOM 1971 CD PRO A 121 117.265 -2.843 -13.948 1.00 0.00 C ATOM 0 HA PRO A 121 119.621 -4.490 -12.240 1.00 0.00 H new ATOM 0 HB2 PRO A 121 120.532 -3.259 -14.549 1.00 0.00 H new ATOM 0 HB3 PRO A 121 119.590 -4.735 -14.607 1.00 0.00 H new ATOM 0 HG2 PRO A 121 118.734 -1.932 -15.278 1.00 0.00 H new ATOM 0 HG3 PRO A 121 118.087 -3.447 -15.876 1.00 0.00 H new ATOM 0 HD2 PRO A 121 116.894 -1.823 -13.849 1.00 0.00 H new ATOM 0 HD3 PRO A 121 116.418 -3.462 -14.244 1.00 0.00 H new ATOM 1979 N GLY A 122 120.035 -2.262 -10.878 1.00 0.00 N ATOM 1980 CA GLY A 122 120.786 -1.151 -10.227 1.00 0.00 C ATOM 1981 C GLY A 122 119.811 -0.248 -9.469 1.00 0.00 C ATOM 1982 O GLY A 122 120.135 0.304 -8.436 1.00 0.00 O ATOM 0 H GLY A 122 119.484 -2.842 -10.246 1.00 0.00 H new ATOM 0 HA2 GLY A 122 121.531 -1.555 -9.542 1.00 0.00 H new ATOM 0 HA3 GLY A 122 121.324 -0.573 -10.978 1.00 0.00 H new ATOM 1986 N GLY A 123 118.617 -0.094 -9.973 1.00 0.00 N ATOM 1987 CA GLY A 123 117.622 0.773 -9.280 1.00 0.00 C ATOM 1988 C GLY A 123 117.046 1.787 -10.271 1.00 0.00 C ATOM 1989 O GLY A 123 117.134 1.616 -11.471 1.00 0.00 O ATOM 0 H GLY A 123 118.288 -0.531 -10.834 1.00 0.00 H new ATOM 0 HA2 GLY A 123 116.821 0.163 -8.862 1.00 0.00 H new ATOM 0 HA3 GLY A 123 118.095 1.292 -8.447 1.00 0.00 H new ATOM 1993 N LEU A 124 116.456 2.841 -9.777 1.00 0.00 N ATOM 1994 CA LEU A 124 115.872 3.867 -10.688 1.00 0.00 C ATOM 1995 C LEU A 124 116.949 4.881 -11.078 1.00 0.00 C ATOM 1996 O LEU A 124 118.129 4.611 -10.988 1.00 0.00 O ATOM 1997 CB LEU A 124 114.732 4.592 -9.974 1.00 0.00 C ATOM 1998 CG LEU A 124 113.807 3.569 -9.317 1.00 0.00 C ATOM 1999 CD1 LEU A 124 114.276 3.304 -7.886 1.00 0.00 C ATOM 2000 CD2 LEU A 124 112.381 4.120 -9.293 1.00 0.00 C ATOM 0 H LEU A 124 116.353 3.036 -8.781 1.00 0.00 H new ATOM 0 HA LEU A 124 115.491 3.378 -11.585 1.00 0.00 H new ATOM 0 HB2 LEU A 124 115.134 5.270 -9.221 1.00 0.00 H new ATOM 0 HB3 LEU A 124 114.172 5.200 -10.685 1.00 0.00 H new ATOM 0 HG LEU A 124 113.829 2.638 -9.884 1.00 0.00 H new ATOM 0 HD11 LEU A 124 113.617 2.574 -7.416 1.00 0.00 H new ATOM 0 HD12 LEU A 124 115.294 2.915 -7.903 1.00 0.00 H new ATOM 0 HD13 LEU A 124 114.252 4.234 -7.317 1.00 0.00 H new ATOM 0 HD21 LEU A 124 111.718 3.393 -8.825 1.00 0.00 H new ATOM 0 HD22 LEU A 124 112.360 5.050 -8.724 1.00 0.00 H new ATOM 0 HD23 LEU A 124 112.048 4.311 -10.313 1.00 0.00 H new ATOM 2012 N LYS A 125 116.549 6.051 -11.505 1.00 0.00 N ATOM 2013 CA LYS A 125 117.545 7.088 -11.899 1.00 0.00 C ATOM 2014 C LYS A 125 116.861 8.156 -12.755 1.00 0.00 C ATOM 2015 O LYS A 125 116.356 9.141 -12.251 1.00 0.00 O ATOM 2016 CB LYS A 125 118.675 6.440 -12.702 1.00 0.00 C ATOM 2017 CG LYS A 125 119.917 6.311 -11.819 1.00 0.00 C ATOM 2018 CD LYS A 125 120.692 7.630 -11.835 1.00 0.00 C ATOM 2019 CE LYS A 125 120.447 8.382 -10.526 1.00 0.00 C ATOM 2020 NZ LYS A 125 120.296 9.837 -10.810 1.00 0.00 N ATOM 0 H LYS A 125 115.573 6.332 -11.597 1.00 0.00 H new ATOM 0 HA LYS A 125 117.957 7.549 -11.001 1.00 0.00 H new ATOM 0 HB2 LYS A 125 118.365 5.458 -13.059 1.00 0.00 H new ATOM 0 HB3 LYS A 125 118.902 7.042 -13.582 1.00 0.00 H new ATOM 0 HG2 LYS A 125 119.627 6.060 -10.799 1.00 0.00 H new ATOM 0 HG3 LYS A 125 120.550 5.500 -12.179 1.00 0.00 H new ATOM 0 HD2 LYS A 125 121.757 7.437 -11.962 1.00 0.00 H new ATOM 0 HD3 LYS A 125 120.376 8.240 -12.682 1.00 0.00 H new ATOM 0 HE2 LYS A 125 119.550 8.001 -10.038 1.00 0.00 H new ATOM 0 HE3 LYS A 125 121.278 8.219 -9.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 120.129 10.349 -9.920 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 121.163 10.195 -11.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 119.490 9.984 -11.450 1.00 0.00 H new ATOM 2034 N GLU A 126 116.846 7.974 -14.047 1.00 0.00 N ATOM 2035 CA GLU A 126 116.199 8.980 -14.938 1.00 0.00 C ATOM 2036 C GLU A 126 114.724 8.624 -15.140 1.00 0.00 C ATOM 2037 O GLU A 126 113.985 9.348 -15.778 1.00 0.00 O ATOM 2038 CB GLU A 126 116.909 8.992 -16.293 1.00 0.00 C ATOM 2039 CG GLU A 126 118.412 9.186 -16.082 1.00 0.00 C ATOM 2040 CD GLU A 126 119.163 8.784 -17.353 1.00 0.00 C ATOM 2041 OE1 GLU A 126 119.235 9.599 -18.258 1.00 0.00 O ATOM 2042 OE2 GLU A 126 119.655 7.668 -17.400 1.00 0.00 O ATOM 0 H GLU A 126 117.254 7.171 -14.525 1.00 0.00 H new ATOM 0 HA GLU A 126 116.271 9.965 -14.477 1.00 0.00 H new ATOM 0 HB2 GLU A 126 116.723 8.057 -16.821 1.00 0.00 H new ATOM 0 HB3 GLU A 126 116.512 9.794 -16.916 1.00 0.00 H new ATOM 0 HG2 GLU A 126 118.624 10.226 -15.836 1.00 0.00 H new ATOM 0 HG3 GLU A 126 118.752 8.583 -15.240 1.00 0.00 H new ATOM 2049 N HIS A 127 114.289 7.517 -14.605 1.00 0.00 N ATOM 2050 CA HIS A 127 112.863 7.120 -14.772 1.00 0.00 C ATOM 2051 C HIS A 127 111.958 8.185 -14.136 1.00 0.00 C ATOM 2052 O HIS A 127 112.112 9.364 -14.387 1.00 0.00 O ATOM 2053 CB HIS A 127 112.636 5.762 -14.105 1.00 0.00 C ATOM 2054 CG HIS A 127 113.822 4.875 -14.364 1.00 0.00 C ATOM 2055 ND1 HIS A 127 114.738 4.563 -13.374 1.00 0.00 N ATOM 2056 CD2 HIS A 127 114.257 4.232 -15.495 1.00 0.00 C ATOM 2057 CE1 HIS A 127 115.672 3.766 -13.922 1.00 0.00 C ATOM 2058 NE2 HIS A 127 115.427 3.530 -15.214 1.00 0.00 N ATOM 0 H HIS A 127 114.859 6.870 -14.060 1.00 0.00 H new ATOM 0 HA HIS A 127 112.621 7.040 -15.832 1.00 0.00 H new ATOM 0 HB2 HIS A 127 112.491 5.891 -13.032 1.00 0.00 H new ATOM 0 HB3 HIS A 127 111.730 5.299 -14.496 1.00 0.00 H new ATOM 0 HD2 HIS A 127 113.767 4.265 -16.457 1.00 0.00 H new ATOM 0 HE1 HIS A 127 116.518 3.365 -13.383 1.00 0.00 H new ATOM 0 HE2 HIS A 127 115.977 2.959 -15.856 1.00 0.00 H new ATOM 2066 N ASP A 128 111.015 7.792 -13.316 1.00 0.00 N ATOM 2067 CA ASP A 128 110.116 8.798 -12.682 1.00 0.00 C ATOM 2068 C ASP A 128 110.801 9.404 -11.453 1.00 0.00 C ATOM 2069 O ASP A 128 110.182 10.089 -10.663 1.00 0.00 O ATOM 2070 CB ASP A 128 108.813 8.119 -12.256 1.00 0.00 C ATOM 2071 CG ASP A 128 107.841 8.091 -13.438 1.00 0.00 C ATOM 2072 OD1 ASP A 128 107.498 9.156 -13.923 1.00 0.00 O ATOM 2073 OD2 ASP A 128 107.458 7.003 -13.837 1.00 0.00 O ATOM 0 H ASP A 128 110.831 6.822 -13.061 1.00 0.00 H new ATOM 0 HA ASP A 128 109.899 9.589 -13.399 1.00 0.00 H new ATOM 0 HB2 ASP A 128 109.015 7.104 -11.913 1.00 0.00 H new ATOM 0 HB3 ASP A 128 108.368 8.656 -11.418 1.00 0.00 H new ATOM 2078 N PHE A 129 112.072 9.161 -11.285 1.00 0.00 N ATOM 2079 CA PHE A 129 112.789 9.727 -10.107 1.00 0.00 C ATOM 2080 C PHE A 129 113.136 11.191 -10.380 1.00 0.00 C ATOM 2081 O PHE A 129 113.028 12.038 -9.516 1.00 0.00 O ATOM 2082 CB PHE A 129 114.076 8.934 -9.866 1.00 0.00 C ATOM 2083 CG PHE A 129 113.832 7.862 -8.830 1.00 0.00 C ATOM 2084 CD1 PHE A 129 112.528 7.424 -8.560 1.00 0.00 C ATOM 2085 CD2 PHE A 129 114.912 7.301 -8.140 1.00 0.00 C ATOM 2086 CE1 PHE A 129 112.307 6.431 -7.602 1.00 0.00 C ATOM 2087 CE2 PHE A 129 114.690 6.305 -7.182 1.00 0.00 C ATOM 2088 CZ PHE A 129 113.388 5.870 -6.912 1.00 0.00 C ATOM 0 H PHE A 129 112.645 8.596 -11.912 1.00 0.00 H new ATOM 0 HA PHE A 129 112.151 9.662 -9.225 1.00 0.00 H new ATOM 0 HB2 PHE A 129 114.415 8.481 -10.798 1.00 0.00 H new ATOM 0 HB3 PHE A 129 114.868 9.603 -9.530 1.00 0.00 H new ATOM 0 HD1 PHE A 129 111.693 7.855 -9.093 1.00 0.00 H new ATOM 0 HD2 PHE A 129 115.918 7.637 -8.347 1.00 0.00 H new ATOM 0 HE1 PHE A 129 111.302 6.096 -7.394 1.00 0.00 H new ATOM 0 HE2 PHE A 129 115.525 5.872 -6.651 1.00 0.00 H new ATOM 0 HZ PHE A 129 113.217 5.102 -6.172 1.00 0.00 H new ATOM 2098 N ASN A 130 113.549 11.492 -11.578 1.00 0.00 N ATOM 2099 CA ASN A 130 113.903 12.900 -11.914 1.00 0.00 C ATOM 2100 C ASN A 130 113.043 13.376 -13.089 1.00 0.00 C ATOM 2101 O ASN A 130 112.445 12.574 -13.780 1.00 0.00 O ATOM 2102 CB ASN A 130 115.382 12.978 -12.301 1.00 0.00 C ATOM 2103 CG ASN A 130 116.206 13.407 -11.084 1.00 0.00 C ATOM 2104 OD1 ASN A 130 115.668 13.911 -10.118 1.00 0.00 O ATOM 2105 ND2 ASN A 130 117.499 13.227 -11.091 1.00 0.00 N ATOM 0 H ASN A 130 113.657 10.824 -12.341 1.00 0.00 H new ATOM 0 HA ASN A 130 113.721 13.536 -11.048 1.00 0.00 H new ATOM 0 HB2 ASN A 130 115.726 12.009 -12.663 1.00 0.00 H new ATOM 0 HB3 ASN A 130 115.519 13.689 -13.115 1.00 0.00 H new ATOM 0 HD21 ASN A 130 118.058 13.509 -10.286 1.00 0.00 H new ATOM 0 HD22 ASN A 130 117.951 12.804 -11.902 1.00 0.00 H new ATOM 2112 N PRO A 131 113.008 14.670 -13.278 1.00 0.00 N ATOM 2113 CA PRO A 131 112.229 15.295 -14.362 1.00 0.00 C ATOM 2114 C PRO A 131 112.967 15.160 -15.697 1.00 0.00 C ATOM 2115 O PRO A 131 114.114 14.763 -15.747 1.00 0.00 O ATOM 2116 CB PRO A 131 112.136 16.763 -13.936 1.00 0.00 C ATOM 2117 CG PRO A 131 113.315 17.011 -12.964 1.00 0.00 C ATOM 2118 CD PRO A 131 113.742 15.631 -12.427 1.00 0.00 C ATOM 0 HA PRO A 131 111.251 14.835 -14.508 1.00 0.00 H new ATOM 0 HB2 PRO A 131 112.200 17.423 -14.801 1.00 0.00 H new ATOM 0 HB3 PRO A 131 111.182 16.967 -13.450 1.00 0.00 H new ATOM 0 HG2 PRO A 131 114.143 17.500 -13.477 1.00 0.00 H new ATOM 0 HG3 PRO A 131 113.013 17.667 -12.148 1.00 0.00 H new ATOM 0 HD2 PRO A 131 114.820 15.489 -12.504 1.00 0.00 H new ATOM 0 HD3 PRO A 131 113.480 15.514 -11.376 1.00 0.00 H new ATOM 2126 N GLU A 132 112.316 15.487 -16.781 1.00 0.00 N ATOM 2127 CA GLU A 132 112.982 15.377 -18.110 1.00 0.00 C ATOM 2128 C GLU A 132 114.274 16.196 -18.102 1.00 0.00 C ATOM 2129 O GLU A 132 114.322 17.292 -17.579 1.00 0.00 O ATOM 2130 CB GLU A 132 112.046 15.911 -19.198 1.00 0.00 C ATOM 2131 CG GLU A 132 111.652 17.353 -18.870 1.00 0.00 C ATOM 2132 CD GLU A 132 110.454 17.763 -19.728 1.00 0.00 C ATOM 2133 OE1 GLU A 132 109.424 17.117 -19.619 1.00 0.00 O ATOM 2134 OE2 GLU A 132 110.586 18.715 -20.479 1.00 0.00 O ATOM 0 H GLU A 132 111.354 15.825 -16.803 1.00 0.00 H new ATOM 0 HA GLU A 132 113.215 14.332 -18.313 1.00 0.00 H new ATOM 0 HB2 GLU A 132 112.539 15.869 -20.169 1.00 0.00 H new ATOM 0 HB3 GLU A 132 111.156 15.286 -19.266 1.00 0.00 H new ATOM 0 HG2 GLU A 132 111.403 17.441 -17.813 1.00 0.00 H new ATOM 0 HG3 GLU A 132 112.492 18.022 -19.056 1.00 0.00 H new ATOM 2141 N SER A 133 115.323 15.675 -18.678 1.00 0.00 N ATOM 2142 CA SER A 133 116.610 16.427 -18.702 1.00 0.00 C ATOM 2143 C SER A 133 116.375 17.817 -19.294 1.00 0.00 C ATOM 2144 O SER A 133 116.092 18.764 -18.589 1.00 0.00 O ATOM 2145 CB SER A 133 117.626 15.671 -19.559 1.00 0.00 C ATOM 2146 OG SER A 133 118.120 14.556 -18.826 1.00 0.00 O ATOM 0 H SER A 133 115.345 14.762 -19.133 1.00 0.00 H new ATOM 0 HA SER A 133 116.994 16.525 -17.687 1.00 0.00 H new ATOM 0 HB2 SER A 133 117.160 15.335 -20.485 1.00 0.00 H new ATOM 0 HB3 SER A 133 118.448 16.331 -19.837 1.00 0.00 H new ATOM 0 HG SER A 133 118.770 14.067 -19.372 1.00 0.00 H new ATOM 2152 N SER A 134 116.489 17.947 -20.588 1.00 0.00 N ATOM 2153 CA SER A 134 116.271 19.276 -21.226 1.00 0.00 C ATOM 2154 C SER A 134 116.222 19.109 -22.746 1.00 0.00 C ATOM 2155 O SER A 134 116.484 18.011 -23.212 1.00 0.00 O ATOM 2156 CB SER A 134 117.417 20.218 -20.840 1.00 0.00 C ATOM 2157 OG SER A 134 118.167 20.562 -22.000 1.00 0.00 O ATOM 2158 OXT SER A 134 115.923 20.081 -23.420 1.00 0.00 O ATOM 0 H SER A 134 116.724 17.190 -21.230 1.00 0.00 H new ATOM 0 HA SER A 134 115.327 19.699 -20.883 1.00 0.00 H new ATOM 0 HB2 SER A 134 117.019 21.118 -20.373 1.00 0.00 H new ATOM 0 HB3 SER A 134 118.064 19.737 -20.106 1.00 0.00 H new ATOM 0 HG SER A 134 118.898 21.165 -21.750 1.00 0.00 H new TER 2164 SER A 134