USER MOD reduce.3.24.130724 H: found=0, std=0, add=1112, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 1111 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 114 GLN : amide:sc= -0.803 X(o=-2.2,f=-2.3) USER MOD Set 1.2: A 121 THR OG1 : rot 180:sc= -1.38 USER MOD Set 2.1: A 91 THR OG1 : rot -75:sc= 0.917 USER MOD Set 2.2: A 93 CYS SG : rot 72:sc= 0.875 USER MOD Set 3.1: A 25 ASN : amide:sc= -0.947 K(o=-1.7,f=-1) USER MOD Set 3.2: A 88 GLN : amide:sc= -0.782 K(o=-1.7,f=-2.5!) USER MOD Set 4.1: A 69 GLN : amide:sc= -0.357 X(o=-1.6,f=-1.5) USER MOD Set 4.2: A 86 SER OG : rot 162:sc= -1.2 USER MOD Set 5.1: A 60 GLN : amide:sc= -0.272 X(o=-0.63,f=-0.55) USER MOD Set 5.2: A 70 THR OG1 : rot -130:sc= -0.363 USER MOD Set 6.1: A 44 HIS : no HE2:sc= -2.83! C(o=-4.8!,f=-5.4!) USER MOD Set 6.2: A 46 GLN : amide:sc= -1.94! K(o=-4.8!,f=-2.8) USER MOD Set 7.1: A 45 GLN : amide:sc= -0.512 K(o=-0.51,f=0) USER MOD Set 7.2: A 111 SER OG : rot 180:sc= 0 USER MOD Set 8.1: A 7 HIS : no HD1:sc= 0 X(o=0.61,f=0.34) USER MOD Set 8.2: A 9 SER OG : rot 5:sc= 0.606 USER MOD Single : A 1 MET CE :methyl -164:sc= -0.0901 (180deg=-0.524) USER MOD Single : A 1 MET N :NH3+ -174:sc= 0 (180deg=-0.0778) USER MOD Single : A 3 HIS : no HD1:sc= -0.0627 X(o=-0.063,f=-0.54) USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=-0.059) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 6 HIS : no HD1:sc=-0.00168 X(o=-0.0017,f=0) USER MOD Single : A 8 HIS : no HD1:sc= -0.266 K(o=-0.27,f=-1.3) USER MOD Single : A 10 HIS : no HD1:sc= -0.0189 X(o=-0.019,f=-0.019) USER MOD Single : A 11 MET CE :methyl 171:sc= 0 (180deg=-0.157) USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 17 SER OG : rot 180:sc= 0.00437 USER MOD Single : A 21 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.253 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : rot 71:sc= 1.2 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 HIS : no HD1:sc=-0.00154 X(o=-0.0015,f=0) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 MET CE :methyl -172:sc= -0.358 (180deg=-0.472) USER MOD Single : A 64 GLN : amide:sc= -1.1 K(o=-1.1,f=-0.017) USER MOD Single : A 67 ASN : amide:sc=-0.00293 K(o=-0.0029,f=-0.61) USER MOD Single : A 73 MET CE :methyl -122:sc= -0.0539 (180deg=-3.99!) USER MOD Single : A 74 SER OG : rot 180:sc= -0.108 USER MOD Single : A 78 SER OG : rot -70:sc= 0.0294 USER MOD Single : A 82 LYS NZ :NH3+ 177:sc= -0.107 (180deg=-0.219) USER MOD Single : A 84 TYR OH : rot 41:sc= 0.139 USER MOD Single : A 97 THR OG1 : rot 180:sc= -0.0334 USER MOD Single : A 105 ASN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 106 SER OG : rot 103:sc= 0.925 USER MOD Single : A 108 MET CE :methyl 176:sc= -0.769 (180deg=-0.912) USER MOD Single : A 109 GLN : amide:sc= -0.737 X(o=-0.74,f=-0.24) USER MOD Single : A 113 LYS NZ :NH3+ 160:sc= 1.92 (180deg=0.562) USER MOD Single : A 115 ASN : amide:sc= -0.811 K(o=-0.81,f=-1.9!) USER MOD Single : A 119 THR OG1 : rot 180:sc= 0 USER MOD Single : A 123 ASN : amide:sc= -0.0227 K(o=-0.023,f=-1) USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 127 SER OG : rot 71:sc= 0.981 USER MOD Single : A 131 THR OG1 : rot 75:sc= 0.661 USER MOD Single : A 135 THR OG1 : rot 78:sc= 1.25 USER MOD Single : A 140 LYS NZ :NH3+ 167:sc= -0.024 (180deg=-0.163) USER MOD Single : A 141 SER OG : rot 46:sc= 0.106 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -14.440 69.353 -19.954 1.00 72.22 N ATOM 2 CA MET A 1 -13.493 68.245 -20.230 1.00 72.52 C ATOM 3 C MET A 1 -13.705 67.112 -19.207 1.00 32.11 C ATOM 4 O MET A 1 -13.739 67.371 -17.994 1.00 43.21 O ATOM 5 CB MET A 1 -12.028 68.753 -20.183 1.00 1.11 C ATOM 6 CG MET A 1 -11.714 69.908 -21.150 1.00 75.44 C ATOM 7 SD MET A 1 -9.969 70.395 -21.129 1.00 0.32 S ATOM 8 CE MET A 1 -9.722 70.796 -19.396 1.00 54.53 C ATOM 0 H1 MET A 1 -14.365 70.069 -20.704 1.00 72.22 H new ATOM 0 H2 MET A 1 -15.411 68.981 -19.926 1.00 72.22 H new ATOM 0 H3 MET A 1 -14.209 69.787 -19.037 1.00 72.22 H new ATOM 0 HA MET A 1 -13.685 67.859 -21.231 1.00 72.52 H new ATOM 0 HB2 MET A 1 -11.803 69.077 -19.167 1.00 1.11 H new ATOM 0 HB3 MET A 1 -11.362 67.920 -20.406 1.00 1.11 H new ATOM 0 HG2 MET A 1 -11.991 69.613 -22.162 1.00 75.44 H new ATOM 0 HG3 MET A 1 -12.329 70.770 -20.890 1.00 75.44 H new ATOM 0 HE1 MET A 1 -8.803 71.371 -19.283 1.00 54.53 H new ATOM 0 HE2 MET A 1 -10.565 71.385 -19.035 1.00 54.53 H new ATOM 0 HE3 MET A 1 -9.648 69.876 -18.817 1.00 54.53 H new ATOM 20 N GLY A 2 -13.848 65.866 -19.705 1.00 32.45 N ATOM 21 CA GLY A 2 -14.095 64.696 -18.857 1.00 43.25 C ATOM 22 C GLY A 2 -13.150 63.545 -19.163 1.00 53.22 C ATOM 23 O GLY A 2 -13.580 62.386 -19.263 1.00 24.22 O ATOM 0 H GLY A 2 -13.795 65.650 -20.701 1.00 32.45 H new ATOM 0 HA2 GLY A 2 -13.988 64.981 -17.810 1.00 43.25 H new ATOM 0 HA3 GLY A 2 -15.124 64.363 -18.993 1.00 43.25 H new ATOM 27 N HIS A 3 -11.854 63.882 -19.306 1.00 51.11 N ATOM 28 CA HIS A 3 -10.774 62.910 -19.561 1.00 42.05 C ATOM 29 C HIS A 3 -10.502 62.071 -18.296 1.00 22.31 C ATOM 30 O HIS A 3 -10.097 62.611 -17.262 1.00 32.14 O ATOM 31 CB HIS A 3 -9.487 63.656 -20.015 1.00 71.32 C ATOM 32 CG HIS A 3 -8.269 62.776 -20.180 1.00 24.11 C ATOM 33 ND1 HIS A 3 -7.476 62.398 -19.117 1.00 42.12 N ATOM 34 CD2 HIS A 3 -7.706 62.210 -21.277 1.00 42.23 C ATOM 35 CE1 HIS A 3 -6.488 61.649 -19.549 1.00 11.42 C ATOM 36 NE2 HIS A 3 -6.603 61.517 -20.853 1.00 41.33 N ATOM 0 H HIS A 3 -11.524 64.846 -19.247 1.00 51.11 H new ATOM 0 HA HIS A 3 -11.083 62.234 -20.358 1.00 42.05 H new ATOM 0 HB2 HIS A 3 -9.688 64.155 -20.963 1.00 71.32 H new ATOM 0 HB3 HIS A 3 -9.259 64.435 -19.287 1.00 71.32 H new ATOM 0 HD2 HIS A 3 -8.061 62.291 -22.294 1.00 42.23 H new ATOM 0 HE1 HIS A 3 -5.712 61.214 -18.937 1.00 11.42 H new ATOM 0 HE2 HIS A 3 -5.972 60.984 -21.452 1.00 41.33 H new ATOM 45 N HIS A 4 -10.729 60.752 -18.403 1.00 11.13 N ATOM 46 CA HIS A 4 -10.510 59.775 -17.315 1.00 44.20 C ATOM 47 C HIS A 4 -9.922 58.479 -17.901 1.00 52.51 C ATOM 48 O HIS A 4 -10.258 58.087 -19.033 1.00 10.51 O ATOM 49 CB HIS A 4 -11.835 59.443 -16.573 1.00 24.42 C ATOM 50 CG HIS A 4 -12.493 60.623 -15.909 1.00 74.21 C ATOM 51 ND1 HIS A 4 -13.584 61.277 -16.445 1.00 42.03 N ATOM 52 CD2 HIS A 4 -12.201 61.274 -14.760 1.00 11.20 C ATOM 53 CE1 HIS A 4 -13.927 62.272 -15.655 1.00 11.14 C ATOM 54 NE2 HIS A 4 -13.106 62.291 -14.629 1.00 14.53 N ATOM 0 H HIS A 4 -11.076 60.323 -19.261 1.00 11.13 H new ATOM 0 HA HIS A 4 -9.817 60.217 -16.599 1.00 44.20 H new ATOM 0 HB2 HIS A 4 -12.535 59.006 -17.285 1.00 24.42 H new ATOM 0 HB3 HIS A 4 -11.633 58.684 -15.818 1.00 24.42 H new ATOM 0 HD2 HIS A 4 -11.402 61.035 -14.074 1.00 11.20 H new ATOM 0 HE1 HIS A 4 -14.745 62.957 -15.822 1.00 11.14 H new ATOM 0 HE2 HIS A 4 -13.139 62.958 -13.858 1.00 14.53 H new ATOM 63 N HIS A 5 -9.041 57.831 -17.121 1.00 12.11 N ATOM 64 CA HIS A 5 -8.482 56.502 -17.444 1.00 34.22 C ATOM 65 C HIS A 5 -9.542 55.419 -17.144 1.00 25.24 C ATOM 66 O HIS A 5 -10.310 55.550 -16.181 1.00 34.25 O ATOM 67 CB HIS A 5 -7.190 56.247 -16.619 1.00 45.23 C ATOM 68 CG HIS A 5 -6.082 57.232 -16.884 1.00 61.22 C ATOM 69 ND1 HIS A 5 -5.966 58.434 -16.221 1.00 22.35 N ATOM 70 CD2 HIS A 5 -5.032 57.182 -17.740 1.00 41.34 C ATOM 71 CE1 HIS A 5 -4.897 59.071 -16.653 1.00 13.01 C ATOM 72 NE2 HIS A 5 -4.314 58.334 -17.572 1.00 30.45 N ATOM 0 H HIS A 5 -8.693 58.215 -16.242 1.00 12.11 H new ATOM 0 HA HIS A 5 -8.221 56.464 -18.502 1.00 34.22 H new ATOM 0 HB2 HIS A 5 -7.439 56.274 -15.558 1.00 45.23 H new ATOM 0 HB3 HIS A 5 -6.827 55.242 -16.835 1.00 45.23 H new ATOM 0 HD2 HIS A 5 -4.804 56.381 -18.427 1.00 41.34 H new ATOM 0 HE1 HIS A 5 -4.557 60.037 -16.310 1.00 13.01 H new ATOM 0 HE2 HIS A 5 -3.464 58.581 -18.078 1.00 30.45 H new ATOM 81 N HIS A 6 -9.579 54.367 -17.983 1.00 63.04 N ATOM 82 CA HIS A 6 -10.567 53.271 -17.877 1.00 22.32 C ATOM 83 C HIS A 6 -10.089 52.224 -16.864 1.00 13.33 C ATOM 84 O HIS A 6 -9.060 51.573 -17.079 1.00 61.32 O ATOM 85 CB HIS A 6 -10.817 52.624 -19.266 1.00 63.34 C ATOM 86 CG HIS A 6 -11.522 53.537 -20.227 1.00 73.55 C ATOM 87 ND1 HIS A 6 -12.803 53.316 -20.672 1.00 65.35 N ATOM 88 CD2 HIS A 6 -11.125 54.691 -20.804 1.00 65.41 C ATOM 89 CE1 HIS A 6 -13.156 54.293 -21.476 1.00 51.40 C ATOM 90 NE2 HIS A 6 -12.158 55.144 -21.571 1.00 53.24 N ATOM 0 H HIS A 6 -8.924 54.251 -18.756 1.00 63.04 H new ATOM 0 HA HIS A 6 -11.512 53.685 -17.524 1.00 22.32 H new ATOM 0 HB2 HIS A 6 -9.862 52.322 -19.696 1.00 63.34 H new ATOM 0 HB3 HIS A 6 -11.408 51.718 -19.136 1.00 63.34 H new ATOM 0 HD2 HIS A 6 -10.164 55.169 -20.681 1.00 65.41 H new ATOM 0 HE1 HIS A 6 -14.109 54.383 -21.977 1.00 51.40 H new ATOM 0 HE2 HIS A 6 -12.157 56.000 -22.126 1.00 53.24 H new ATOM 99 N HIS A 7 -10.845 52.093 -15.756 1.00 60.42 N ATOM 100 CA HIS A 7 -10.545 51.146 -14.674 1.00 72.34 C ATOM 101 C HIS A 7 -10.805 49.705 -15.150 1.00 14.24 C ATOM 102 O HIS A 7 -11.963 49.289 -15.297 1.00 23.25 O ATOM 103 CB HIS A 7 -11.403 51.476 -13.425 1.00 71.45 C ATOM 104 CG HIS A 7 -11.123 50.609 -12.224 1.00 61.00 C ATOM 105 ND1 HIS A 7 -12.044 49.735 -11.692 1.00 51.44 N ATOM 106 CD2 HIS A 7 -10.026 50.514 -11.436 1.00 12.42 C ATOM 107 CE1 HIS A 7 -11.526 49.144 -10.639 1.00 14.42 C ATOM 108 NE2 HIS A 7 -10.303 49.598 -10.463 1.00 20.14 N ATOM 0 H HIS A 7 -11.685 52.647 -15.590 1.00 60.42 H new ATOM 0 HA HIS A 7 -9.493 51.235 -14.401 1.00 72.34 H new ATOM 0 HB2 HIS A 7 -11.237 52.518 -13.151 1.00 71.45 H new ATOM 0 HB3 HIS A 7 -12.456 51.380 -13.688 1.00 71.45 H new ATOM 0 HD2 HIS A 7 -9.103 51.062 -11.555 1.00 12.42 H new ATOM 0 HE1 HIS A 7 -12.021 48.409 -10.021 1.00 14.42 H new ATOM 0 HE2 HIS A 7 -9.666 49.312 -9.720 1.00 20.14 H new ATOM 117 N HIS A 8 -9.715 48.970 -15.431 1.00 54.22 N ATOM 118 CA HIS A 8 -9.793 47.565 -15.849 1.00 33.34 C ATOM 119 C HIS A 8 -10.041 46.671 -14.620 1.00 1.14 C ATOM 120 O HIS A 8 -9.345 46.794 -13.609 1.00 15.21 O ATOM 121 CB HIS A 8 -8.509 47.116 -16.621 1.00 2.34 C ATOM 122 CG HIS A 8 -7.218 47.148 -15.828 1.00 13.01 C ATOM 123 ND1 HIS A 8 -6.905 46.215 -14.859 1.00 20.22 N ATOM 124 CD2 HIS A 8 -6.164 47.998 -15.867 1.00 44.02 C ATOM 125 CE1 HIS A 8 -5.728 46.490 -14.345 1.00 64.22 C ATOM 126 NE2 HIS A 8 -5.257 47.565 -14.940 1.00 41.43 N ATOM 0 H HIS A 8 -8.763 49.332 -15.375 1.00 54.22 H new ATOM 0 HA HIS A 8 -10.629 47.460 -16.540 1.00 33.34 H new ATOM 0 HB2 HIS A 8 -8.664 46.101 -16.986 1.00 2.34 H new ATOM 0 HB3 HIS A 8 -8.392 47.755 -17.496 1.00 2.34 H new ATOM 0 HD2 HIS A 8 -6.059 48.859 -16.511 1.00 44.02 H new ATOM 0 HE1 HIS A 8 -5.231 45.929 -13.567 1.00 64.22 H new ATOM 0 HE2 HIS A 8 -4.359 48.005 -14.741 1.00 41.43 H new ATOM 135 N SER A 9 -11.078 45.831 -14.702 1.00 2.24 N ATOM 136 CA SER A 9 -11.363 44.775 -13.719 1.00 44.33 C ATOM 137 C SER A 9 -12.109 43.630 -14.425 1.00 5.44 C ATOM 138 O SER A 9 -13.173 43.848 -15.022 1.00 73.10 O ATOM 139 CB SER A 9 -12.184 45.310 -12.516 1.00 64.44 C ATOM 140 OG SER A 9 -11.453 46.264 -11.769 1.00 31.01 O ATOM 0 H SER A 9 -11.755 45.864 -15.464 1.00 2.24 H new ATOM 0 HA SER A 9 -10.420 44.409 -13.314 1.00 44.33 H new ATOM 0 HB2 SER A 9 -13.108 45.761 -12.877 1.00 64.44 H new ATOM 0 HB3 SER A 9 -12.466 44.479 -11.869 1.00 64.44 H new ATOM 0 HG SER A 9 -10.600 46.445 -12.216 1.00 31.01 H new ATOM 146 N HIS A 10 -11.506 42.430 -14.387 1.00 2.02 N ATOM 147 CA HIS A 10 -12.098 41.189 -14.906 1.00 21.44 C ATOM 148 C HIS A 10 -11.353 40.004 -14.270 1.00 3.31 C ATOM 149 O HIS A 10 -10.119 39.958 -14.305 1.00 0.23 O ATOM 150 CB HIS A 10 -12.035 41.117 -16.467 1.00 33.40 C ATOM 151 CG HIS A 10 -10.642 41.114 -17.065 1.00 73.42 C ATOM 152 ND1 HIS A 10 -10.083 40.002 -17.665 1.00 34.52 N ATOM 153 CD2 HIS A 10 -9.708 42.092 -17.171 1.00 73.34 C ATOM 154 CE1 HIS A 10 -8.880 40.297 -18.103 1.00 63.53 C ATOM 155 NE2 HIS A 10 -8.623 41.555 -17.818 1.00 10.45 N ATOM 0 H HIS A 10 -10.577 42.295 -13.987 1.00 2.02 H new ATOM 0 HA HIS A 10 -13.155 41.158 -14.642 1.00 21.44 H new ATOM 0 HB2 HIS A 10 -12.553 40.215 -16.793 1.00 33.40 H new ATOM 0 HB3 HIS A 10 -12.585 41.965 -16.875 1.00 33.40 H new ATOM 0 HD2 HIS A 10 -9.801 43.106 -16.812 1.00 73.34 H new ATOM 0 HE1 HIS A 10 -8.212 39.618 -18.613 1.00 63.53 H new ATOM 0 HE2 HIS A 10 -7.760 42.050 -18.041 1.00 10.45 H new ATOM 164 N MET A 11 -12.099 39.083 -13.644 1.00 35.04 N ATOM 165 CA MET A 11 -11.534 37.872 -13.031 1.00 5.54 C ATOM 166 C MET A 11 -11.300 36.794 -14.107 1.00 21.13 C ATOM 167 O MET A 11 -12.248 36.345 -14.761 1.00 4.34 O ATOM 168 CB MET A 11 -12.472 37.349 -11.914 1.00 23.21 C ATOM 169 CG MET A 11 -11.989 36.053 -11.244 1.00 33.25 C ATOM 170 SD MET A 11 -10.297 36.186 -10.619 1.00 20.31 S ATOM 171 CE MET A 11 -9.990 34.509 -10.064 1.00 12.30 C ATOM 0 H MET A 11 -13.112 39.156 -13.548 1.00 35.04 H new ATOM 0 HA MET A 11 -10.573 38.117 -12.579 1.00 5.54 H new ATOM 0 HB2 MET A 11 -12.578 38.121 -11.152 1.00 23.21 H new ATOM 0 HB3 MET A 11 -13.463 37.180 -12.336 1.00 23.21 H new ATOM 0 HG2 MET A 11 -12.658 35.802 -10.421 1.00 33.25 H new ATOM 0 HG3 MET A 11 -12.045 35.234 -11.961 1.00 33.25 H new ATOM 0 HE1 MET A 11 -8.937 34.399 -9.803 1.00 12.30 H new ATOM 0 HE2 MET A 11 -10.605 34.297 -9.189 1.00 12.30 H new ATOM 0 HE3 MET A 11 -10.241 33.810 -10.862 1.00 12.30 H new ATOM 181 N GLN A 12 -10.030 36.407 -14.289 1.00 54.43 N ATOM 182 CA GLN A 12 -9.620 35.377 -15.256 1.00 23.20 C ATOM 183 C GLN A 12 -8.424 34.606 -14.676 1.00 25.23 C ATOM 184 O GLN A 12 -7.297 35.118 -14.653 1.00 10.35 O ATOM 185 CB GLN A 12 -9.247 36.022 -16.617 1.00 74.42 C ATOM 186 CG GLN A 12 -8.834 35.017 -17.725 1.00 64.43 C ATOM 187 CD GLN A 12 -8.169 35.681 -18.934 1.00 31.42 C ATOM 188 OE1 GLN A 12 -8.455 36.834 -19.265 1.00 74.21 O ATOM 189 NE2 GLN A 12 -7.271 34.963 -19.596 1.00 12.23 N ATOM 0 H GLN A 12 -9.250 36.803 -13.764 1.00 54.43 H new ATOM 0 HA GLN A 12 -10.448 34.690 -15.432 1.00 23.20 H new ATOM 0 HB2 GLN A 12 -10.098 36.603 -16.973 1.00 74.42 H new ATOM 0 HB3 GLN A 12 -8.427 36.722 -16.458 1.00 74.42 H new ATOM 0 HG2 GLN A 12 -8.149 34.282 -17.301 1.00 64.43 H new ATOM 0 HG3 GLN A 12 -9.718 34.473 -18.059 1.00 64.43 H new ATOM 0 HE21 GLN A 12 -7.057 34.012 -19.296 1.00 12.23 H new ATOM 0 HE22 GLN A 12 -6.794 35.362 -20.405 1.00 12.23 H new ATOM 198 N GLU A 13 -8.697 33.404 -14.150 1.00 0.53 N ATOM 199 CA GLU A 13 -7.673 32.502 -13.587 1.00 73.31 C ATOM 200 C GLU A 13 -8.149 31.044 -13.728 1.00 51.04 C ATOM 201 O GLU A 13 -9.354 30.783 -13.857 1.00 14.23 O ATOM 202 CB GLU A 13 -7.393 32.863 -12.095 1.00 22.24 C ATOM 203 CG GLU A 13 -6.232 32.090 -11.429 1.00 33.34 C ATOM 204 CD GLU A 13 -5.898 32.580 -10.011 1.00 22.14 C ATOM 205 OE1 GLU A 13 -5.108 33.545 -9.869 1.00 42.34 O ATOM 206 OE2 GLU A 13 -6.426 32.015 -9.032 1.00 2.30 O ATOM 0 H GLU A 13 -9.642 33.024 -14.101 1.00 0.53 H new ATOM 0 HA GLU A 13 -6.739 32.620 -14.136 1.00 73.31 H new ATOM 0 HB2 GLU A 13 -7.179 33.930 -12.032 1.00 22.24 H new ATOM 0 HB3 GLU A 13 -8.302 32.685 -11.520 1.00 22.24 H new ATOM 0 HG2 GLU A 13 -6.489 31.031 -11.387 1.00 33.34 H new ATOM 0 HG3 GLU A 13 -5.343 32.178 -12.053 1.00 33.34 H new ATOM 213 N LEU A 14 -7.190 30.110 -13.741 1.00 13.24 N ATOM 214 CA LEU A 14 -7.460 28.662 -13.736 1.00 72.14 C ATOM 215 C LEU A 14 -7.923 28.227 -12.315 1.00 71.13 C ATOM 216 O LEU A 14 -7.424 28.781 -11.327 1.00 62.34 O ATOM 217 CB LEU A 14 -6.187 27.870 -14.190 1.00 55.33 C ATOM 218 CG LEU A 14 -5.852 27.875 -15.733 1.00 14.02 C ATOM 219 CD1 LEU A 14 -5.625 29.294 -16.297 1.00 10.40 C ATOM 220 CD2 LEU A 14 -4.641 26.968 -16.033 1.00 43.24 C ATOM 0 H LEU A 14 -6.196 30.337 -13.755 1.00 13.24 H new ATOM 0 HA LEU A 14 -8.258 28.436 -14.444 1.00 72.14 H new ATOM 0 HB2 LEU A 14 -5.328 28.275 -13.655 1.00 55.33 H new ATOM 0 HB3 LEU A 14 -6.301 26.834 -13.872 1.00 55.33 H new ATOM 0 HG LEU A 14 -6.729 27.475 -16.242 1.00 14.02 H new ATOM 0 HD11 LEU A 14 -5.399 29.231 -17.361 1.00 10.40 H new ATOM 0 HD12 LEU A 14 -6.525 29.891 -16.152 1.00 10.40 H new ATOM 0 HD13 LEU A 14 -4.790 29.763 -15.776 1.00 10.40 H new ATOM 0 HD21 LEU A 14 -4.428 26.987 -17.102 1.00 43.24 H new ATOM 0 HD22 LEU A 14 -3.771 27.329 -15.484 1.00 43.24 H new ATOM 0 HD23 LEU A 14 -4.866 25.947 -15.726 1.00 43.24 H new ATOM 232 N PRO A 15 -8.892 27.248 -12.195 1.00 61.53 N ATOM 233 CA PRO A 15 -9.424 26.777 -10.875 1.00 65.51 C ATOM 234 C PRO A 15 -8.322 26.196 -9.946 1.00 55.14 C ATOM 235 O PRO A 15 -7.271 25.767 -10.433 1.00 25.31 O ATOM 236 CB PRO A 15 -10.467 25.693 -11.273 1.00 31.50 C ATOM 237 CG PRO A 15 -10.826 26.000 -12.700 1.00 65.13 C ATOM 238 CD PRO A 15 -9.552 26.531 -13.325 1.00 4.33 C ATOM 0 HA PRO A 15 -9.850 27.594 -10.293 1.00 65.51 H new ATOM 0 HB2 PRO A 15 -10.049 24.691 -11.178 1.00 31.50 H new ATOM 0 HB3 PRO A 15 -11.345 25.735 -10.628 1.00 31.50 H new ATOM 0 HG2 PRO A 15 -11.177 25.108 -13.218 1.00 65.13 H new ATOM 0 HG3 PRO A 15 -11.628 26.736 -12.755 1.00 65.13 H new ATOM 0 HD2 PRO A 15 -8.927 25.726 -13.711 1.00 4.33 H new ATOM 0 HD3 PRO A 15 -9.761 27.200 -14.159 1.00 4.33 H new ATOM 246 N ASP A 16 -8.598 26.185 -8.616 1.00 2.02 N ATOM 247 CA ASP A 16 -7.624 25.773 -7.566 1.00 15.50 C ATOM 248 C ASP A 16 -7.029 24.377 -7.850 1.00 71.34 C ATOM 249 O ASP A 16 -7.747 23.368 -7.841 1.00 14.35 O ATOM 250 CB ASP A 16 -8.286 25.776 -6.157 1.00 44.30 C ATOM 251 CG ASP A 16 -8.763 27.169 -5.714 1.00 15.24 C ATOM 252 OD1 ASP A 16 -9.903 27.556 -6.049 1.00 55.44 O ATOM 253 OD2 ASP A 16 -8.007 27.886 -5.022 1.00 12.45 O ATOM 0 H ASP A 16 -9.504 26.462 -8.239 1.00 2.02 H new ATOM 0 HA ASP A 16 -6.815 26.503 -7.585 1.00 15.50 H new ATOM 0 HB2 ASP A 16 -9.135 25.093 -6.160 1.00 44.30 H new ATOM 0 HB3 ASP A 16 -7.572 25.394 -5.427 1.00 44.30 H new ATOM 258 N SER A 17 -5.719 24.344 -8.119 1.00 51.11 N ATOM 259 CA SER A 17 -4.984 23.117 -8.452 1.00 62.52 C ATOM 260 C SER A 17 -4.515 22.398 -7.162 1.00 33.01 C ATOM 261 O SER A 17 -4.673 22.925 -6.053 1.00 52.21 O ATOM 262 CB SER A 17 -3.791 23.474 -9.367 1.00 53.23 C ATOM 263 OG SER A 17 -3.210 22.316 -9.945 1.00 3.43 O ATOM 0 H SER A 17 -5.132 25.178 -8.112 1.00 51.11 H new ATOM 0 HA SER A 17 -5.640 22.429 -8.985 1.00 62.52 H new ATOM 0 HB2 SER A 17 -4.126 24.146 -10.157 1.00 53.23 H new ATOM 0 HB3 SER A 17 -3.037 24.010 -8.790 1.00 53.23 H new ATOM 0 HG SER A 17 -2.460 22.578 -10.519 1.00 3.43 H new ATOM 269 N GLY A 18 -3.951 21.192 -7.330 1.00 31.41 N ATOM 270 CA GLY A 18 -3.517 20.349 -6.212 1.00 74.15 C ATOM 271 C GLY A 18 -3.091 18.981 -6.716 1.00 32.02 C ATOM 272 O GLY A 18 -3.776 17.979 -6.486 1.00 73.43 O ATOM 0 H GLY A 18 -3.784 20.776 -8.246 1.00 31.41 H new ATOM 0 HA2 GLY A 18 -2.688 20.826 -5.689 1.00 74.15 H new ATOM 0 HA3 GLY A 18 -4.328 20.242 -5.492 1.00 74.15 H new ATOM 276 N ALA A 19 -1.959 18.967 -7.435 1.00 51.01 N ATOM 277 CA ALA A 19 -1.432 17.784 -8.129 1.00 52.44 C ATOM 278 C ALA A 19 -0.901 16.739 -7.135 1.00 41.44 C ATOM 279 O ALA A 19 -0.070 17.057 -6.275 1.00 44.24 O ATOM 280 CB ALA A 19 -0.325 18.205 -9.105 1.00 31.24 C ATOM 0 H ALA A 19 -1.373 19.794 -7.552 1.00 51.01 H new ATOM 0 HA ALA A 19 -2.248 17.324 -8.686 1.00 52.44 H new ATOM 0 HB1 ALA A 19 0.063 17.324 -9.617 1.00 31.24 H new ATOM 0 HB2 ALA A 19 -0.732 18.902 -9.838 1.00 31.24 H new ATOM 0 HB3 ALA A 19 0.482 18.689 -8.554 1.00 31.24 H new ATOM 286 N LEU A 20 -1.374 15.491 -7.287 1.00 2.22 N ATOM 287 CA LEU A 20 -0.948 14.366 -6.455 1.00 4.31 C ATOM 288 C LEU A 20 0.407 13.859 -6.977 1.00 60.13 C ATOM 289 O LEU A 20 0.461 13.120 -7.967 1.00 13.30 O ATOM 290 CB LEU A 20 -1.997 13.220 -6.510 1.00 33.20 C ATOM 291 CG LEU A 20 -1.707 12.007 -5.561 1.00 32.31 C ATOM 292 CD1 LEU A 20 -1.944 12.395 -4.099 1.00 42.23 C ATOM 293 CD2 LEU A 20 -2.516 10.757 -5.949 1.00 64.01 C ATOM 0 H LEU A 20 -2.065 15.239 -7.994 1.00 2.22 H new ATOM 0 HA LEU A 20 -0.855 14.693 -5.419 1.00 4.31 H new ATOM 0 HB2 LEU A 20 -2.975 13.631 -6.260 1.00 33.20 H new ATOM 0 HB3 LEU A 20 -2.058 12.853 -7.535 1.00 33.20 H new ATOM 0 HG LEU A 20 -0.655 11.746 -5.679 1.00 32.31 H new ATOM 0 HD11 LEU A 20 -1.737 11.539 -3.457 1.00 42.23 H new ATOM 0 HD12 LEU A 20 -1.283 13.219 -3.829 1.00 42.23 H new ATOM 0 HD13 LEU A 20 -2.981 12.704 -3.968 1.00 42.23 H new ATOM 0 HD21 LEU A 20 -2.281 9.944 -5.262 1.00 64.01 H new ATOM 0 HD22 LEU A 20 -3.581 10.982 -5.894 1.00 64.01 H new ATOM 0 HD23 LEU A 20 -2.260 10.459 -6.966 1.00 64.01 H new ATOM 305 N MET A 21 1.490 14.284 -6.330 1.00 13.35 N ATOM 306 CA MET A 21 2.858 13.891 -6.703 1.00 54.21 C ATOM 307 C MET A 21 3.509 13.196 -5.512 1.00 42.41 C ATOM 308 O MET A 21 3.906 13.871 -4.560 1.00 60.11 O ATOM 309 CB MET A 21 3.690 15.128 -7.141 1.00 23.43 C ATOM 310 CG MET A 21 5.149 14.814 -7.526 1.00 73.14 C ATOM 311 SD MET A 21 6.079 16.293 -7.973 1.00 75.55 S ATOM 312 CE MET A 21 7.717 15.615 -8.258 1.00 30.24 C ATOM 0 H MET A 21 1.449 14.913 -5.528 1.00 13.35 H new ATOM 0 HA MET A 21 2.821 13.207 -7.551 1.00 54.21 H new ATOM 0 HB2 MET A 21 3.197 15.599 -7.991 1.00 23.43 H new ATOM 0 HB3 MET A 21 3.690 15.856 -6.329 1.00 23.43 H new ATOM 0 HG2 MET A 21 5.643 14.317 -6.691 1.00 73.14 H new ATOM 0 HG3 MET A 21 5.158 14.116 -8.363 1.00 73.14 H new ATOM 0 HE1 MET A 21 8.398 16.417 -8.542 1.00 30.24 H new ATOM 0 HE2 MET A 21 8.077 15.139 -7.346 1.00 30.24 H new ATOM 0 HE3 MET A 21 7.671 14.877 -9.059 1.00 30.24 H new ATOM 322 N LEU A 22 3.632 11.858 -5.568 1.00 42.43 N ATOM 323 CA LEU A 22 4.187 11.060 -4.471 1.00 24.31 C ATOM 324 C LEU A 22 5.704 11.291 -4.453 1.00 32.30 C ATOM 325 O LEU A 22 6.408 10.868 -5.371 1.00 1.20 O ATOM 326 CB LEU A 22 3.844 9.555 -4.696 1.00 75.42 C ATOM 327 CG LEU A 22 2.315 9.207 -4.766 1.00 15.35 C ATOM 328 CD1 LEU A 22 2.083 7.773 -5.281 1.00 24.54 C ATOM 329 CD2 LEU A 22 1.626 9.431 -3.401 1.00 43.23 C ATOM 0 H LEU A 22 3.348 11.304 -6.376 1.00 42.43 H new ATOM 0 HA LEU A 22 3.762 11.354 -3.511 1.00 24.31 H new ATOM 0 HB2 LEU A 22 4.315 9.229 -5.624 1.00 75.42 H new ATOM 0 HB3 LEU A 22 4.293 8.975 -3.890 1.00 75.42 H new ATOM 0 HG LEU A 22 1.858 9.889 -5.484 1.00 15.35 H new ATOM 0 HD11 LEU A 22 1.013 7.568 -5.316 1.00 24.54 H new ATOM 0 HD12 LEU A 22 2.505 7.673 -6.281 1.00 24.54 H new ATOM 0 HD13 LEU A 22 2.567 7.063 -4.611 1.00 24.54 H new ATOM 0 HD21 LEU A 22 0.568 9.181 -3.482 1.00 43.23 H new ATOM 0 HD22 LEU A 22 2.092 8.794 -2.649 1.00 43.23 H new ATOM 0 HD23 LEU A 22 1.731 10.476 -3.108 1.00 43.23 H new ATOM 341 N VAL A 23 6.167 12.040 -3.446 1.00 53.23 N ATOM 342 CA VAL A 23 7.580 12.416 -3.300 1.00 33.00 C ATOM 343 C VAL A 23 8.308 11.348 -2.449 1.00 13.33 C ATOM 344 O VAL A 23 7.650 10.653 -1.655 1.00 52.05 O ATOM 345 CB VAL A 23 7.719 13.858 -2.658 1.00 2.33 C ATOM 346 CG1 VAL A 23 7.041 14.934 -3.547 1.00 13.34 C ATOM 347 CG2 VAL A 23 7.163 13.903 -1.213 1.00 52.44 C ATOM 0 H VAL A 23 5.569 12.405 -2.704 1.00 53.23 H new ATOM 0 HA VAL A 23 8.044 12.457 -4.285 1.00 33.00 H new ATOM 0 HB VAL A 23 8.784 14.084 -2.604 1.00 2.33 H new ATOM 0 HG11 VAL A 23 7.152 15.913 -3.082 1.00 13.34 H new ATOM 0 HG12 VAL A 23 7.512 14.944 -4.530 1.00 13.34 H new ATOM 0 HG13 VAL A 23 5.982 14.702 -3.655 1.00 13.34 H new ATOM 0 HG21 VAL A 23 7.278 14.909 -0.810 1.00 52.44 H new ATOM 0 HG22 VAL A 23 6.107 13.634 -1.221 1.00 52.44 H new ATOM 0 HG23 VAL A 23 7.713 13.198 -0.590 1.00 52.44 H new ATOM 357 N PRO A 24 9.661 11.164 -2.607 1.00 2.32 N ATOM 358 CA PRO A 24 10.429 10.191 -1.794 1.00 22.23 C ATOM 359 C PRO A 24 10.636 10.722 -0.358 1.00 62.21 C ATOM 360 O PRO A 24 11.709 11.228 -0.001 1.00 15.15 O ATOM 361 CB PRO A 24 11.755 10.035 -2.592 1.00 73.11 C ATOM 362 CG PRO A 24 11.934 11.355 -3.298 1.00 65.41 C ATOM 363 CD PRO A 24 10.534 11.869 -3.597 1.00 43.13 C ATOM 0 HA PRO A 24 9.930 9.232 -1.653 1.00 22.23 H new ATOM 0 HB2 PRO A 24 12.594 9.824 -1.929 1.00 73.11 H new ATOM 0 HB3 PRO A 24 11.695 9.211 -3.303 1.00 73.11 H new ATOM 0 HG2 PRO A 24 12.482 12.060 -2.673 1.00 65.41 H new ATOM 0 HG3 PRO A 24 12.508 11.231 -4.217 1.00 65.41 H new ATOM 0 HD2 PRO A 24 10.474 12.951 -3.480 1.00 43.13 H new ATOM 0 HD3 PRO A 24 10.237 11.642 -4.621 1.00 43.13 H new ATOM 371 N ASN A 25 9.560 10.635 0.436 1.00 22.33 N ATOM 372 CA ASN A 25 9.494 11.197 1.793 1.00 61.41 C ATOM 373 C ASN A 25 10.092 10.202 2.817 1.00 24.21 C ATOM 374 O ASN A 25 10.364 9.042 2.473 1.00 70.13 O ATOM 375 CB ASN A 25 8.013 11.553 2.117 1.00 25.42 C ATOM 376 CG ASN A 25 7.836 12.320 3.431 1.00 22.30 C ATOM 377 OD1 ASN A 25 7.614 11.731 4.488 1.00 3.10 O ATOM 378 ND2 ASN A 25 7.940 13.639 3.380 1.00 1.52 N ATOM 0 H ASN A 25 8.700 10.167 0.151 1.00 22.33 H new ATOM 0 HA ASN A 25 10.089 12.108 1.854 1.00 61.41 H new ATOM 0 HB2 ASN A 25 7.605 12.150 1.301 1.00 25.42 H new ATOM 0 HB3 ASN A 25 7.429 10.634 2.162 1.00 25.42 H new ATOM 0 HD21 ASN A 25 7.836 14.192 4.231 1.00 1.52 H new ATOM 0 HD22 ASN A 25 8.125 14.102 2.490 1.00 1.52 H new ATOM 385 N ARG A 26 10.320 10.684 4.064 1.00 31.33 N ATOM 386 CA ARG A 26 10.802 9.859 5.189 1.00 62.05 C ATOM 387 C ARG A 26 9.847 8.673 5.439 1.00 55.10 C ATOM 388 O ARG A 26 8.622 8.865 5.528 1.00 32.13 O ATOM 389 CB ARG A 26 10.929 10.697 6.488 1.00 72.15 C ATOM 390 CG ARG A 26 11.871 11.921 6.388 1.00 44.45 C ATOM 391 CD ARG A 26 12.107 12.605 7.750 1.00 33.14 C ATOM 392 NE ARG A 26 12.801 13.909 7.622 1.00 3.20 N ATOM 393 CZ ARG A 26 13.670 14.438 8.510 1.00 42.43 C ATOM 394 NH1 ARG A 26 13.997 13.798 9.627 1.00 45.14 N ATOM 395 NH2 ARG A 26 14.203 15.624 8.275 1.00 42.31 N ATOM 0 H ARG A 26 10.172 11.662 4.314 1.00 31.33 H new ATOM 0 HA ARG A 26 11.788 9.481 4.918 1.00 62.05 H new ATOM 0 HB2 ARG A 26 9.937 11.044 6.777 1.00 72.15 H new ATOM 0 HB3 ARG A 26 11.285 10.048 7.288 1.00 72.15 H new ATOM 0 HG2 ARG A 26 12.829 11.604 5.975 1.00 44.45 H new ATOM 0 HG3 ARG A 26 11.447 12.644 5.692 1.00 44.45 H new ATOM 0 HD2 ARG A 26 11.149 12.755 8.248 1.00 33.14 H new ATOM 0 HD3 ARG A 26 12.697 11.945 8.386 1.00 33.14 H new ATOM 0 HE ARG A 26 12.604 14.458 6.785 1.00 3.20 H new ATOM 0 HH11 ARG A 26 13.589 12.885 9.830 1.00 45.14 H new ATOM 0 HH12 ARG A 26 14.656 14.219 10.282 1.00 45.14 H new ATOM 0 HH21 ARG A 26 13.957 16.134 7.427 1.00 42.31 H new ATOM 0 HH22 ARG A 26 14.860 16.029 8.942 1.00 42.31 H new ATOM 409 N GLN A 27 10.415 7.455 5.517 1.00 4.15 N ATOM 410 CA GLN A 27 9.664 6.243 5.867 1.00 13.22 C ATOM 411 C GLN A 27 9.143 6.343 7.309 1.00 53.23 C ATOM 412 O GLN A 27 9.851 6.834 8.197 1.00 23.41 O ATOM 413 CB GLN A 27 10.537 4.962 5.692 1.00 21.03 C ATOM 414 CG GLN A 27 11.799 4.899 6.590 1.00 5.10 C ATOM 415 CD GLN A 27 12.536 3.556 6.539 1.00 60.05 C ATOM 416 OE1 GLN A 27 11.928 2.503 6.354 1.00 63.42 O ATOM 417 NE2 GLN A 27 13.847 3.581 6.715 1.00 42.32 N ATOM 0 H GLN A 27 11.405 7.288 5.339 1.00 4.15 H new ATOM 0 HA GLN A 27 8.816 6.163 5.186 1.00 13.22 H new ATOM 0 HB2 GLN A 27 9.919 4.089 5.899 1.00 21.03 H new ATOM 0 HB3 GLN A 27 10.848 4.893 4.650 1.00 21.03 H new ATOM 0 HG2 GLN A 27 12.486 5.690 6.289 1.00 5.10 H new ATOM 0 HG3 GLN A 27 11.509 5.103 7.621 1.00 5.10 H new ATOM 0 HE21 GLN A 27 14.324 4.470 6.866 1.00 42.32 H new ATOM 0 HE22 GLN A 27 14.380 2.712 6.699 1.00 42.32 H new ATOM 426 N LEU A 28 7.891 5.926 7.519 1.00 14.11 N ATOM 427 CA LEU A 28 7.299 5.830 8.866 1.00 61.12 C ATOM 428 C LEU A 28 7.865 4.608 9.599 1.00 54.21 C ATOM 429 O LEU A 28 8.237 3.619 8.965 1.00 4.24 O ATOM 430 CB LEU A 28 5.757 5.710 8.769 1.00 73.14 C ATOM 431 CG LEU A 28 5.047 6.773 7.880 1.00 42.21 C ATOM 432 CD1 LEU A 28 3.525 6.562 7.895 1.00 13.14 C ATOM 433 CD2 LEU A 28 5.436 8.213 8.293 1.00 44.45 C ATOM 0 H LEU A 28 7.259 5.646 6.769 1.00 14.11 H new ATOM 0 HA LEU A 28 7.549 6.733 9.422 1.00 61.12 H new ATOM 0 HB2 LEU A 28 5.512 4.720 8.383 1.00 73.14 H new ATOM 0 HB3 LEU A 28 5.343 5.771 9.775 1.00 73.14 H new ATOM 0 HG LEU A 28 5.390 6.639 6.854 1.00 42.21 H new ATOM 0 HD11 LEU A 28 3.047 7.315 7.268 1.00 13.14 H new ATOM 0 HD12 LEU A 28 3.292 5.569 7.511 1.00 13.14 H new ATOM 0 HD13 LEU A 28 3.155 6.653 8.916 1.00 13.14 H new ATOM 0 HD21 LEU A 28 4.921 8.927 7.651 1.00 44.45 H new ATOM 0 HD22 LEU A 28 5.148 8.384 9.330 1.00 44.45 H new ATOM 0 HD23 LEU A 28 6.513 8.343 8.190 1.00 44.45 H new ATOM 445 N THR A 29 7.930 4.676 10.932 1.00 71.11 N ATOM 446 CA THR A 29 8.249 3.503 11.754 1.00 63.34 C ATOM 447 C THR A 29 7.022 2.589 11.797 1.00 55.45 C ATOM 448 O THR A 29 5.892 3.067 11.622 1.00 22.35 O ATOM 449 CB THR A 29 8.668 3.909 13.203 1.00 74.43 C ATOM 450 OG1 THR A 29 7.599 4.620 13.845 1.00 55.14 O ATOM 451 CG2 THR A 29 9.929 4.788 13.201 1.00 11.05 C ATOM 0 H THR A 29 7.766 5.530 11.465 1.00 71.11 H new ATOM 0 HA THR A 29 9.096 2.982 11.308 1.00 63.34 H new ATOM 0 HB THR A 29 8.887 2.992 13.750 1.00 74.43 H new ATOM 0 HG1 THR A 29 7.871 4.869 14.753 1.00 55.14 H new ATOM 0 HG21 THR A 29 10.191 5.051 14.226 1.00 11.05 H new ATOM 0 HG22 THR A 29 10.754 4.240 12.745 1.00 11.05 H new ATOM 0 HG23 THR A 29 9.738 5.697 12.631 1.00 11.05 H new ATOM 459 N ALA A 30 7.242 1.286 12.011 1.00 22.13 N ATOM 460 CA ALA A 30 6.150 0.303 12.126 1.00 13.31 C ATOM 461 C ALA A 30 5.247 0.633 13.327 1.00 62.44 C ATOM 462 O ALA A 30 4.041 0.376 13.282 1.00 34.12 O ATOM 463 CB ALA A 30 6.715 -1.124 12.215 1.00 74.33 C ATOM 0 H ALA A 30 8.174 0.882 12.109 1.00 22.13 H new ATOM 0 HA ALA A 30 5.534 0.358 11.228 1.00 13.31 H new ATOM 0 HB1 ALA A 30 5.894 -1.836 12.299 1.00 74.33 H new ATOM 0 HB2 ALA A 30 7.294 -1.343 11.318 1.00 74.33 H new ATOM 0 HB3 ALA A 30 7.358 -1.207 13.091 1.00 74.33 H new ATOM 469 N ASP A 31 5.855 1.213 14.388 1.00 34.41 N ATOM 470 CA ASP A 31 5.125 1.713 15.571 1.00 71.14 C ATOM 471 C ASP A 31 4.145 2.828 15.194 1.00 22.21 C ATOM 472 O ASP A 31 2.957 2.729 15.495 1.00 33.54 O ATOM 473 CB ASP A 31 6.113 2.244 16.648 1.00 74.34 C ATOM 474 CG ASP A 31 6.981 1.136 17.256 1.00 5.01 C ATOM 475 OD1 ASP A 31 8.045 0.818 16.689 1.00 21.55 O ATOM 476 OD2 ASP A 31 6.584 0.553 18.291 1.00 33.13 O ATOM 0 H ASP A 31 6.865 1.346 14.446 1.00 34.41 H new ATOM 0 HA ASP A 31 4.562 0.873 15.978 1.00 71.14 H new ATOM 0 HB2 ASP A 31 6.758 3.001 16.201 1.00 74.34 H new ATOM 0 HB3 ASP A 31 5.549 2.734 17.442 1.00 74.34 H new ATOM 481 N TYR A 32 4.661 3.869 14.495 1.00 34.54 N ATOM 482 CA TYR A 32 3.867 5.057 14.117 1.00 71.40 C ATOM 483 C TYR A 32 2.759 4.656 13.147 1.00 62.31 C ATOM 484 O TYR A 32 1.623 5.085 13.294 1.00 12.34 O ATOM 485 CB TYR A 32 4.769 6.154 13.477 1.00 44.10 C ATOM 486 CG TYR A 32 4.009 7.412 13.001 1.00 52.23 C ATOM 487 CD1 TYR A 32 3.550 8.359 13.919 1.00 23.34 C ATOM 488 CD2 TYR A 32 3.743 7.641 11.645 1.00 11.21 C ATOM 489 CE1 TYR A 32 2.852 9.478 13.507 1.00 3.53 C ATOM 490 CE2 TYR A 32 3.040 8.757 11.231 1.00 75.33 C ATOM 491 CZ TYR A 32 2.603 9.674 12.165 1.00 21.14 C ATOM 492 OH TYR A 32 1.894 10.784 11.755 1.00 42.34 O ATOM 0 H TYR A 32 5.631 3.906 14.181 1.00 34.54 H new ATOM 0 HA TYR A 32 3.421 5.471 15.021 1.00 71.40 H new ATOM 0 HB2 TYR A 32 5.524 6.455 14.203 1.00 44.10 H new ATOM 0 HB3 TYR A 32 5.298 5.722 12.628 1.00 44.10 H new ATOM 0 HD1 TYR A 32 3.744 8.214 14.971 1.00 23.34 H new ATOM 0 HD2 TYR A 32 4.094 6.932 10.909 1.00 11.21 H new ATOM 0 HE1 TYR A 32 2.503 10.197 14.234 1.00 3.53 H new ATOM 0 HE2 TYR A 32 2.834 8.910 10.182 1.00 75.33 H new ATOM 0 HH TYR A 32 1.806 10.774 10.779 1.00 42.34 H new ATOM 502 N PHE A 33 3.132 3.818 12.165 1.00 32.11 N ATOM 503 CA PHE A 33 2.231 3.319 11.122 1.00 31.13 C ATOM 504 C PHE A 33 1.056 2.550 11.744 1.00 13.54 C ATOM 505 O PHE A 33 -0.079 2.751 11.337 1.00 65.30 O ATOM 506 CB PHE A 33 3.003 2.404 10.129 1.00 10.24 C ATOM 507 CG PHE A 33 2.220 2.029 8.865 1.00 12.21 C ATOM 508 CD1 PHE A 33 1.235 1.035 8.878 1.00 61.11 C ATOM 509 CD2 PHE A 33 2.467 2.678 7.662 1.00 44.23 C ATOM 510 CE1 PHE A 33 0.529 0.724 7.743 1.00 2.42 C ATOM 511 CE2 PHE A 33 1.758 2.352 6.526 1.00 23.44 C ATOM 512 CZ PHE A 33 0.793 1.373 6.567 1.00 41.14 C ATOM 0 H PHE A 33 4.085 3.465 12.076 1.00 32.11 H new ATOM 0 HA PHE A 33 1.835 4.175 10.575 1.00 31.13 H new ATOM 0 HB2 PHE A 33 3.924 2.906 9.834 1.00 10.24 H new ATOM 0 HB3 PHE A 33 3.291 1.489 10.647 1.00 10.24 H new ATOM 0 HD1 PHE A 33 1.027 0.504 9.795 1.00 61.11 H new ATOM 0 HD2 PHE A 33 3.224 3.447 7.616 1.00 44.23 H new ATOM 0 HE1 PHE A 33 -0.238 -0.036 7.778 1.00 2.42 H new ATOM 0 HE2 PHE A 33 1.961 2.868 5.599 1.00 23.44 H new ATOM 0 HZ PHE A 33 0.244 1.117 5.673 1.00 41.14 H new ATOM 522 N GLU A 34 1.366 1.653 12.708 1.00 74.43 N ATOM 523 CA GLU A 34 0.357 0.832 13.407 1.00 40.54 C ATOM 524 C GLU A 34 -0.650 1.735 14.143 1.00 65.22 C ATOM 525 O GLU A 34 -1.859 1.518 14.061 1.00 21.12 O ATOM 526 CB GLU A 34 1.035 -0.145 14.403 1.00 24.33 C ATOM 527 CG GLU A 34 0.062 -1.130 15.090 1.00 35.11 C ATOM 528 CD GLU A 34 0.732 -1.984 16.179 1.00 32.51 C ATOM 529 OE1 GLU A 34 1.248 -3.082 15.866 1.00 4.11 O ATOM 530 OE2 GLU A 34 0.762 -1.553 17.355 1.00 4.10 O ATOM 0 H GLU A 34 2.321 1.480 13.021 1.00 74.43 H new ATOM 0 HA GLU A 34 -0.179 0.243 12.663 1.00 40.54 H new ATOM 0 HB2 GLU A 34 1.797 -0.716 13.872 1.00 24.33 H new ATOM 0 HB3 GLU A 34 1.548 0.435 15.170 1.00 24.33 H new ATOM 0 HG2 GLU A 34 -0.761 -0.568 15.533 1.00 35.11 H new ATOM 0 HG3 GLU A 34 -0.371 -1.788 14.336 1.00 35.11 H new ATOM 537 N LYS A 35 -0.120 2.761 14.842 1.00 63.30 N ATOM 538 CA LYS A 35 -0.932 3.743 15.584 1.00 12.14 C ATOM 539 C LYS A 35 -1.837 4.547 14.627 1.00 23.10 C ATOM 540 O LYS A 35 -3.017 4.744 14.910 1.00 21.20 O ATOM 541 CB LYS A 35 -0.018 4.701 16.400 1.00 1.03 C ATOM 542 CG LYS A 35 0.841 3.999 17.480 1.00 42.10 C ATOM 543 CD LYS A 35 1.778 4.980 18.223 1.00 51.41 C ATOM 544 CE LYS A 35 2.733 4.287 19.216 1.00 55.11 C ATOM 545 NZ LYS A 35 2.012 3.624 20.338 1.00 13.53 N ATOM 0 H LYS A 35 0.884 2.930 14.906 1.00 63.30 H new ATOM 0 HA LYS A 35 -1.571 3.197 16.278 1.00 12.14 H new ATOM 0 HB2 LYS A 35 0.644 5.226 15.711 1.00 1.03 H new ATOM 0 HB3 LYS A 35 -0.641 5.455 16.882 1.00 1.03 H new ATOM 0 HG2 LYS A 35 0.185 3.512 18.201 1.00 42.10 H new ATOM 0 HG3 LYS A 35 1.438 3.216 17.012 1.00 42.10 H new ATOM 0 HD2 LYS A 35 2.367 5.532 17.491 1.00 51.41 H new ATOM 0 HD3 LYS A 35 1.173 5.710 18.762 1.00 51.41 H new ATOM 0 HE2 LYS A 35 3.329 3.546 18.684 1.00 55.11 H new ATOM 0 HE3 LYS A 35 3.427 5.023 19.620 1.00 55.11 H new ATOM 0 HZ1 LYS A 35 2.700 3.174 20.975 1.00 13.53 H new ATOM 0 HZ2 LYS A 35 1.464 4.333 20.865 1.00 13.53 H new ATOM 0 HZ3 LYS A 35 1.368 2.901 19.958 1.00 13.53 H new ATOM 559 N THR A 36 -1.263 4.969 13.482 1.00 23.04 N ATOM 560 CA THR A 36 -1.961 5.776 12.460 1.00 70.35 C ATOM 561 C THR A 36 -3.074 4.940 11.791 1.00 32.34 C ATOM 562 O THR A 36 -4.194 5.415 11.588 1.00 32.14 O ATOM 563 CB THR A 36 -0.940 6.298 11.382 1.00 22.21 C ATOM 564 OG1 THR A 36 0.126 7.011 12.035 1.00 33.14 O ATOM 565 CG2 THR A 36 -1.592 7.225 10.342 1.00 44.51 C ATOM 0 H THR A 36 -0.295 4.758 13.239 1.00 23.04 H new ATOM 0 HA THR A 36 -2.418 6.638 12.946 1.00 70.35 H new ATOM 0 HB THR A 36 -0.561 5.423 10.854 1.00 22.21 H new ATOM 0 HG1 THR A 36 0.693 6.377 12.522 1.00 33.14 H new ATOM 0 HG21 THR A 36 -0.840 7.553 9.625 1.00 44.51 H new ATOM 0 HG22 THR A 36 -2.382 6.686 9.818 1.00 44.51 H new ATOM 0 HG23 THR A 36 -2.017 8.094 10.845 1.00 44.51 H new ATOM 573 N TRP A 37 -2.735 3.668 11.513 1.00 55.12 N ATOM 574 CA TRP A 37 -3.615 2.687 10.873 1.00 20.45 C ATOM 575 C TRP A 37 -4.841 2.424 11.762 1.00 43.33 C ATOM 576 O TRP A 37 -5.978 2.550 11.313 1.00 10.10 O ATOM 577 CB TRP A 37 -2.826 1.366 10.597 1.00 32.11 C ATOM 578 CG TRP A 37 -3.618 0.314 9.849 1.00 5.14 C ATOM 579 CD1 TRP A 37 -4.334 -0.723 10.385 1.00 3.44 C ATOM 580 CD2 TRP A 37 -3.776 0.212 8.425 1.00 52.34 C ATOM 581 NE1 TRP A 37 -4.944 -1.438 9.385 1.00 4.21 N ATOM 582 CE2 TRP A 37 -4.608 -0.893 8.176 1.00 73.55 C ATOM 583 CE3 TRP A 37 -3.301 0.955 7.341 1.00 23.42 C ATOM 584 CZ2 TRP A 37 -4.976 -1.270 6.891 1.00 33.21 C ATOM 585 CZ3 TRP A 37 -3.664 0.578 6.065 1.00 1.20 C ATOM 586 CH2 TRP A 37 -4.493 -0.523 5.849 1.00 40.24 C ATOM 0 H TRP A 37 -1.815 3.289 11.736 1.00 55.12 H new ATOM 0 HA TRP A 37 -3.965 3.081 9.919 1.00 20.45 H new ATOM 0 HB2 TRP A 37 -1.929 1.604 10.025 1.00 32.11 H new ATOM 0 HB3 TRP A 37 -2.496 0.948 11.548 1.00 32.11 H new ATOM 0 HD1 TRP A 37 -4.408 -0.945 11.439 1.00 3.44 H new ATOM 0 HE1 TRP A 37 -5.551 -2.246 9.521 1.00 4.21 H new ATOM 0 HE3 TRP A 37 -2.660 1.810 7.500 1.00 23.42 H new ATOM 0 HZ2 TRP A 37 -5.619 -2.121 6.719 1.00 33.21 H new ATOM 0 HZ3 TRP A 37 -3.301 1.144 5.220 1.00 1.20 H new ATOM 0 HH2 TRP A 37 -4.760 -0.793 4.838 1.00 40.24 H new ATOM 597 N LEU A 38 -4.596 2.106 13.041 1.00 11.32 N ATOM 598 CA LEU A 38 -5.668 1.785 14.001 1.00 33.05 C ATOM 599 C LEU A 38 -6.470 3.041 14.396 1.00 60.44 C ATOM 600 O LEU A 38 -7.624 2.931 14.809 1.00 32.14 O ATOM 601 CB LEU A 38 -5.088 1.083 15.255 1.00 33.24 C ATOM 602 CG LEU A 38 -4.396 -0.295 15.002 1.00 71.01 C ATOM 603 CD1 LEU A 38 -3.843 -0.897 16.311 1.00 42.21 C ATOM 604 CD2 LEU A 38 -5.346 -1.281 14.278 1.00 71.32 C ATOM 0 H LEU A 38 -3.658 2.063 13.439 1.00 11.32 H new ATOM 0 HA LEU A 38 -6.357 1.098 13.510 1.00 33.05 H new ATOM 0 HB2 LEU A 38 -4.364 1.752 15.721 1.00 33.24 H new ATOM 0 HB3 LEU A 38 -5.895 0.937 15.973 1.00 33.24 H new ATOM 0 HG LEU A 38 -3.547 -0.119 14.342 1.00 71.01 H new ATOM 0 HD11 LEU A 38 -3.368 -1.855 16.099 1.00 42.21 H new ATOM 0 HD12 LEU A 38 -3.109 -0.216 16.743 1.00 42.21 H new ATOM 0 HD13 LEU A 38 -4.660 -1.045 17.017 1.00 42.21 H new ATOM 0 HD21 LEU A 38 -4.833 -2.229 14.118 1.00 71.32 H new ATOM 0 HD22 LEU A 38 -6.233 -1.447 14.890 1.00 71.32 H new ATOM 0 HD23 LEU A 38 -5.642 -0.861 13.316 1.00 71.32 H new ATOM 616 N SER A 39 -5.846 4.227 14.278 1.00 62.31 N ATOM 617 CA SER A 39 -6.514 5.512 14.565 1.00 71.30 C ATOM 618 C SER A 39 -7.434 5.945 13.406 1.00 71.12 C ATOM 619 O SER A 39 -8.367 6.725 13.614 1.00 70.53 O ATOM 620 CB SER A 39 -5.468 6.611 14.863 1.00 21.11 C ATOM 621 OG SER A 39 -6.069 7.819 15.309 1.00 44.44 O ATOM 0 H SER A 39 -4.874 4.323 13.984 1.00 62.31 H new ATOM 0 HA SER A 39 -7.138 5.370 15.448 1.00 71.30 H new ATOM 0 HB2 SER A 39 -4.773 6.252 15.622 1.00 21.11 H new ATOM 0 HB3 SER A 39 -4.885 6.808 13.964 1.00 21.11 H new ATOM 0 HG SER A 39 -5.372 8.485 15.487 1.00 44.44 H new ATOM 627 N LEU A 40 -7.173 5.439 12.191 1.00 63.21 N ATOM 628 CA LEU A 40 -7.938 5.785 10.978 1.00 22.23 C ATOM 629 C LEU A 40 -8.815 4.588 10.560 1.00 3.01 C ATOM 630 O LEU A 40 -8.599 3.453 11.007 1.00 14.12 O ATOM 631 CB LEU A 40 -6.953 6.155 9.835 1.00 2.01 C ATOM 632 CG LEU A 40 -6.224 7.528 9.950 1.00 2.40 C ATOM 633 CD1 LEU A 40 -5.018 7.600 8.987 1.00 63.32 C ATOM 634 CD2 LEU A 40 -7.209 8.684 9.681 1.00 23.02 C ATOM 0 H LEU A 40 -6.420 4.773 12.019 1.00 63.21 H new ATOM 0 HA LEU A 40 -8.583 6.639 11.182 1.00 22.23 H new ATOM 0 HB2 LEU A 40 -6.196 5.373 9.773 1.00 2.01 H new ATOM 0 HB3 LEU A 40 -7.504 6.141 8.895 1.00 2.01 H new ATOM 0 HG LEU A 40 -5.844 7.627 10.967 1.00 2.40 H new ATOM 0 HD11 LEU A 40 -4.529 8.569 9.089 1.00 63.32 H new ATOM 0 HD12 LEU A 40 -4.310 6.808 9.231 1.00 63.32 H new ATOM 0 HD13 LEU A 40 -5.364 7.474 7.961 1.00 63.32 H new ATOM 0 HD21 LEU A 40 -6.685 9.636 9.765 1.00 23.02 H new ATOM 0 HD22 LEU A 40 -7.621 8.584 8.677 1.00 23.02 H new ATOM 0 HD23 LEU A 40 -8.018 8.650 10.411 1.00 23.02 H new ATOM 646 N LYS A 41 -9.788 4.849 9.683 1.00 51.23 N ATOM 647 CA LYS A 41 -10.682 3.817 9.112 1.00 41.10 C ATOM 648 C LYS A 41 -10.346 3.649 7.623 1.00 41.10 C ATOM 649 O LYS A 41 -9.883 4.601 6.983 1.00 43.24 O ATOM 650 CB LYS A 41 -12.162 4.229 9.298 1.00 23.44 C ATOM 651 CG LYS A 41 -12.590 4.449 10.771 1.00 24.22 C ATOM 652 CD LYS A 41 -14.030 5.005 10.883 1.00 42.44 C ATOM 653 CE LYS A 41 -14.489 5.228 12.335 1.00 31.12 C ATOM 654 NZ LYS A 41 -14.689 3.950 13.065 1.00 21.34 N ATOM 0 H LYS A 41 -9.986 5.789 9.341 1.00 51.23 H new ATOM 0 HA LYS A 41 -10.534 2.868 9.627 1.00 41.10 H new ATOM 0 HB2 LYS A 41 -12.343 5.148 8.740 1.00 23.44 H new ATOM 0 HB3 LYS A 41 -12.798 3.460 8.860 1.00 23.44 H new ATOM 0 HG2 LYS A 41 -12.523 3.505 11.312 1.00 24.22 H new ATOM 0 HG3 LYS A 41 -11.897 5.141 11.250 1.00 24.22 H new ATOM 0 HD2 LYS A 41 -14.090 5.949 10.342 1.00 42.44 H new ATOM 0 HD3 LYS A 41 -14.717 4.314 10.395 1.00 42.44 H new ATOM 0 HE2 LYS A 41 -13.748 5.831 12.859 1.00 31.12 H new ATOM 0 HE3 LYS A 41 -15.420 5.794 12.337 1.00 31.12 H new ATOM 0 HZ1 LYS A 41 -14.998 4.150 14.038 1.00 21.34 H new ATOM 0 HZ2 LYS A 41 -15.415 3.384 12.581 1.00 21.34 H new ATOM 0 HZ3 LYS A 41 -13.795 3.420 13.088 1.00 21.34 H new ATOM 668 N VAL A 42 -10.547 2.431 7.086 1.00 71.15 N ATOM 669 CA VAL A 42 -10.220 2.096 5.685 1.00 11.34 C ATOM 670 C VAL A 42 -11.000 3.017 4.719 1.00 64.11 C ATOM 671 O VAL A 42 -12.228 3.133 4.808 1.00 60.24 O ATOM 672 CB VAL A 42 -10.518 0.579 5.357 1.00 25.34 C ATOM 673 CG1 VAL A 42 -10.226 0.231 3.876 1.00 20.11 C ATOM 674 CG2 VAL A 42 -9.731 -0.362 6.297 1.00 12.13 C ATOM 0 H VAL A 42 -10.941 1.650 7.611 1.00 71.15 H new ATOM 0 HA VAL A 42 -9.150 2.257 5.549 1.00 11.34 H new ATOM 0 HB VAL A 42 -11.584 0.427 5.526 1.00 25.34 H new ATOM 0 HG11 VAL A 42 -10.446 -0.822 3.699 1.00 20.11 H new ATOM 0 HG12 VAL A 42 -10.851 0.846 3.228 1.00 20.11 H new ATOM 0 HG13 VAL A 42 -9.176 0.424 3.657 1.00 20.11 H new ATOM 0 HG21 VAL A 42 -9.957 -1.399 6.047 1.00 12.13 H new ATOM 0 HG22 VAL A 42 -8.662 -0.185 6.178 1.00 12.13 H new ATOM 0 HG23 VAL A 42 -10.018 -0.167 7.330 1.00 12.13 H new ATOM 684 N ALA A 43 -10.260 3.662 3.805 1.00 73.14 N ATOM 685 CA ALA A 43 -10.815 4.626 2.843 1.00 23.21 C ATOM 686 C ALA A 43 -11.421 3.868 1.650 1.00 54.14 C ATOM 687 O ALA A 43 -12.549 4.138 1.243 1.00 21.31 O ATOM 688 CB ALA A 43 -9.712 5.605 2.386 1.00 22.11 C ATOM 0 H ALA A 43 -9.253 3.529 3.712 1.00 73.14 H new ATOM 0 HA ALA A 43 -11.605 5.209 3.316 1.00 23.21 H new ATOM 0 HB1 ALA A 43 -10.129 6.317 1.674 1.00 22.11 H new ATOM 0 HB2 ALA A 43 -9.322 6.143 3.250 1.00 22.11 H new ATOM 0 HB3 ALA A 43 -8.905 5.048 1.911 1.00 22.11 H new ATOM 694 N HIS A 44 -10.664 2.892 1.144 1.00 61.05 N ATOM 695 CA HIS A 44 -11.093 1.988 0.070 1.00 64.24 C ATOM 696 C HIS A 44 -10.444 0.618 0.282 1.00 33.31 C ATOM 697 O HIS A 44 -9.316 0.541 0.758 1.00 32.02 O ATOM 698 CB HIS A 44 -10.711 2.565 -1.311 1.00 13.31 C ATOM 699 CG HIS A 44 -11.000 1.640 -2.464 1.00 4.43 C ATOM 700 ND1 HIS A 44 -12.285 1.375 -2.853 1.00 41.10 N ATOM 701 CD2 HIS A 44 -10.147 0.931 -3.248 1.00 34.31 C ATOM 702 CE1 HIS A 44 -12.188 0.531 -3.856 1.00 23.22 C ATOM 703 NE2 HIS A 44 -10.915 0.236 -4.135 1.00 65.43 N ATOM 0 H HIS A 44 -9.718 2.703 1.474 1.00 61.05 H new ATOM 0 HA HIS A 44 -12.177 1.882 0.097 1.00 64.24 H new ATOM 0 HB2 HIS A 44 -11.251 3.499 -1.465 1.00 13.31 H new ATOM 0 HB3 HIS A 44 -9.648 2.807 -1.311 1.00 13.31 H new ATOM 0 HD1 HIS A 44 -13.141 1.754 -2.448 1.00 41.10 H new ATOM 0 HD2 HIS A 44 -9.069 0.920 -3.182 1.00 34.31 H new ATOM 0 HE1 HIS A 44 -13.035 0.125 -4.390 1.00 23.22 H new ATOM 711 N GLN A 45 -11.150 -0.453 -0.090 1.00 73.23 N ATOM 712 CA GLN A 45 -10.660 -1.829 0.065 1.00 63.32 C ATOM 713 C GLN A 45 -11.057 -2.633 -1.181 1.00 62.43 C ATOM 714 O GLN A 45 -12.240 -2.760 -1.491 1.00 22.11 O ATOM 715 CB GLN A 45 -11.248 -2.445 1.356 1.00 15.11 C ATOM 716 CG GLN A 45 -10.640 -3.795 1.768 1.00 72.41 C ATOM 717 CD GLN A 45 -11.224 -4.367 3.067 1.00 33.51 C ATOM 718 OE1 GLN A 45 -10.521 -5.039 3.832 1.00 44.12 O ATOM 719 NE2 GLN A 45 -12.516 -4.162 3.305 1.00 61.54 N ATOM 0 H GLN A 45 -12.079 -0.393 -0.508 1.00 73.23 H new ATOM 0 HA GLN A 45 -9.574 -1.845 0.157 1.00 63.32 H new ATOM 0 HB2 GLN A 45 -11.110 -1.737 2.173 1.00 15.11 H new ATOM 0 HB3 GLN A 45 -12.322 -2.573 1.223 1.00 15.11 H new ATOM 0 HG2 GLN A 45 -10.796 -4.514 0.963 1.00 72.41 H new ATOM 0 HG3 GLN A 45 -9.563 -3.677 1.886 1.00 72.41 H new ATOM 0 HE21 GLN A 45 -13.072 -3.604 2.657 1.00 61.54 H new ATOM 0 HE22 GLN A 45 -12.951 -4.563 4.136 1.00 61.54 H new ATOM 728 N GLN A 46 -10.057 -3.162 -1.893 1.00 34.02 N ATOM 729 CA GLN A 46 -10.244 -3.788 -3.207 1.00 53.32 C ATOM 730 C GLN A 46 -9.377 -5.045 -3.320 1.00 25.04 C ATOM 731 O GLN A 46 -8.161 -4.988 -3.132 1.00 43.21 O ATOM 732 CB GLN A 46 -9.842 -2.757 -4.279 1.00 24.12 C ATOM 733 CG GLN A 46 -10.056 -3.177 -5.735 1.00 74.14 C ATOM 734 CD GLN A 46 -9.678 -2.056 -6.693 1.00 50.34 C ATOM 735 OE1 GLN A 46 -10.518 -1.251 -7.100 1.00 20.02 O ATOM 736 NE2 GLN A 46 -8.402 -1.951 -7.001 1.00 24.23 N ATOM 0 H GLN A 46 -9.089 -3.168 -1.572 1.00 34.02 H new ATOM 0 HA GLN A 46 -11.283 -4.087 -3.344 1.00 53.32 H new ATOM 0 HB2 GLN A 46 -10.404 -1.841 -4.101 1.00 24.12 H new ATOM 0 HB3 GLN A 46 -8.788 -2.515 -4.144 1.00 24.12 H new ATOM 0 HG2 GLN A 46 -9.458 -4.062 -5.953 1.00 74.14 H new ATOM 0 HG3 GLN A 46 -11.100 -3.452 -5.887 1.00 74.14 H new ATOM 0 HE21 GLN A 46 -7.734 -2.635 -6.647 1.00 24.23 H new ATOM 0 HE22 GLN A 46 -8.082 -1.185 -7.594 1.00 24.23 H new ATOM 745 N VAL A 47 -10.018 -6.169 -3.654 1.00 13.33 N ATOM 746 CA VAL A 47 -9.363 -7.477 -3.793 1.00 32.11 C ATOM 747 C VAL A 47 -9.199 -7.809 -5.286 1.00 15.32 C ATOM 748 O VAL A 47 -10.177 -7.809 -6.041 1.00 43.13 O ATOM 749 CB VAL A 47 -10.193 -8.597 -3.070 1.00 64.10 C ATOM 750 CG1 VAL A 47 -9.495 -9.976 -3.175 1.00 52.33 C ATOM 751 CG2 VAL A 47 -10.463 -8.205 -1.592 1.00 34.13 C ATOM 0 H VAL A 47 -11.021 -6.198 -3.838 1.00 13.33 H new ATOM 0 HA VAL A 47 -8.381 -7.433 -3.323 1.00 32.11 H new ATOM 0 HB VAL A 47 -11.154 -8.687 -3.576 1.00 64.10 H new ATOM 0 HG11 VAL A 47 -10.096 -10.728 -2.664 1.00 52.33 H new ATOM 0 HG12 VAL A 47 -9.386 -10.250 -4.224 1.00 52.33 H new ATOM 0 HG13 VAL A 47 -8.510 -9.922 -2.710 1.00 52.33 H new ATOM 0 HG21 VAL A 47 -11.039 -8.992 -1.106 1.00 34.13 H new ATOM 0 HG22 VAL A 47 -9.514 -8.075 -1.071 1.00 34.13 H new ATOM 0 HG23 VAL A 47 -11.025 -7.272 -1.560 1.00 34.13 H new ATOM 761 N LEU A 48 -7.955 -8.098 -5.688 1.00 41.01 N ATOM 762 CA LEU A 48 -7.579 -8.396 -7.080 1.00 55.15 C ATOM 763 C LEU A 48 -7.259 -9.894 -7.204 1.00 52.12 C ATOM 764 O LEU A 48 -6.881 -10.518 -6.209 1.00 44.44 O ATOM 765 CB LEU A 48 -6.338 -7.557 -7.516 1.00 75.33 C ATOM 766 CG LEU A 48 -6.605 -6.069 -7.919 1.00 52.14 C ATOM 767 CD1 LEU A 48 -6.901 -5.174 -6.704 1.00 33.21 C ATOM 768 CD2 LEU A 48 -5.439 -5.526 -8.768 1.00 65.14 C ATOM 0 H LEU A 48 -7.165 -8.132 -5.044 1.00 41.01 H new ATOM 0 HA LEU A 48 -8.413 -8.135 -7.732 1.00 55.15 H new ATOM 0 HB2 LEU A 48 -5.617 -7.564 -6.698 1.00 75.33 H new ATOM 0 HB3 LEU A 48 -5.867 -8.059 -8.361 1.00 75.33 H new ATOM 0 HG LEU A 48 -7.508 -6.048 -8.529 1.00 52.14 H new ATOM 0 HD11 LEU A 48 -7.079 -4.152 -7.039 1.00 33.21 H new ATOM 0 HD12 LEU A 48 -7.785 -5.545 -6.186 1.00 33.21 H new ATOM 0 HD13 LEU A 48 -6.049 -5.190 -6.024 1.00 33.21 H new ATOM 0 HD21 LEU A 48 -5.639 -4.490 -9.041 1.00 65.14 H new ATOM 0 HD22 LEU A 48 -4.515 -5.578 -8.192 1.00 65.14 H new ATOM 0 HD23 LEU A 48 -5.337 -6.126 -9.672 1.00 65.14 H new ATOM 780 N PRO A 49 -7.385 -10.497 -8.430 1.00 73.00 N ATOM 781 CA PRO A 49 -6.907 -11.871 -8.679 1.00 4.11 C ATOM 782 C PRO A 49 -5.364 -11.902 -8.708 1.00 63.54 C ATOM 783 O PRO A 49 -4.725 -10.924 -9.117 1.00 60.30 O ATOM 784 CB PRO A 49 -7.529 -12.223 -10.060 1.00 43.44 C ATOM 785 CG PRO A 49 -7.714 -10.900 -10.753 1.00 43.24 C ATOM 786 CD PRO A 49 -7.995 -9.889 -9.656 1.00 21.31 C ATOM 0 HA PRO A 49 -7.195 -12.586 -7.908 1.00 4.11 H new ATOM 0 HB2 PRO A 49 -6.874 -12.880 -10.632 1.00 43.44 H new ATOM 0 HB3 PRO A 49 -8.479 -12.744 -9.944 1.00 43.44 H new ATOM 0 HG2 PRO A 49 -6.822 -10.627 -11.316 1.00 43.24 H new ATOM 0 HG3 PRO A 49 -8.539 -10.944 -11.464 1.00 43.24 H new ATOM 0 HD2 PRO A 49 -7.550 -8.920 -9.884 1.00 21.31 H new ATOM 0 HD3 PRO A 49 -9.065 -9.726 -9.529 1.00 21.31 H new ATOM 794 N TRP A 50 -4.764 -13.008 -8.245 1.00 4.31 N ATOM 795 CA TRP A 50 -3.302 -13.144 -8.188 1.00 72.30 C ATOM 796 C TRP A 50 -2.874 -14.533 -8.699 1.00 24.20 C ATOM 797 O TRP A 50 -3.600 -15.511 -8.537 1.00 72.24 O ATOM 798 CB TRP A 50 -2.794 -12.877 -6.745 1.00 53.43 C ATOM 799 CG TRP A 50 -1.295 -12.846 -6.662 1.00 71.21 C ATOM 800 CD1 TRP A 50 -0.465 -13.803 -6.156 1.00 10.44 C ATOM 801 CD2 TRP A 50 -0.450 -11.801 -7.146 1.00 60.42 C ATOM 802 NE1 TRP A 50 0.837 -13.431 -6.331 1.00 21.34 N ATOM 803 CE2 TRP A 50 0.870 -12.202 -6.927 1.00 64.22 C ATOM 804 CE3 TRP A 50 -0.690 -10.564 -7.752 1.00 15.32 C ATOM 805 CZ2 TRP A 50 1.948 -11.416 -7.290 1.00 72.02 C ATOM 806 CZ3 TRP A 50 0.386 -9.787 -8.106 1.00 15.11 C ATOM 807 CH2 TRP A 50 1.685 -10.221 -7.877 1.00 35.32 C ATOM 0 H TRP A 50 -5.271 -13.824 -7.903 1.00 4.31 H new ATOM 0 HA TRP A 50 -2.846 -12.400 -8.841 1.00 72.30 H new ATOM 0 HB2 TRP A 50 -3.194 -11.927 -6.392 1.00 53.43 H new ATOM 0 HB3 TRP A 50 -3.176 -13.651 -6.079 1.00 53.43 H new ATOM 0 HD1 TRP A 50 -0.790 -14.720 -5.686 1.00 10.44 H new ATOM 0 HE1 TRP A 50 1.652 -13.981 -6.061 1.00 21.34 H new ATOM 0 HE3 TRP A 50 -1.699 -10.227 -7.938 1.00 15.32 H new ATOM 0 HZ2 TRP A 50 2.963 -11.741 -7.113 1.00 72.02 H new ATOM 0 HZ3 TRP A 50 0.219 -8.825 -8.569 1.00 15.11 H new ATOM 0 HH2 TRP A 50 2.509 -9.590 -8.174 1.00 35.32 H new ATOM 818 N ARG A 51 -1.701 -14.594 -9.350 1.00 53.11 N ATOM 819 CA ARG A 51 -1.152 -15.834 -9.955 1.00 15.34 C ATOM 820 C ARG A 51 -0.213 -16.581 -8.988 1.00 14.34 C ATOM 821 O ARG A 51 0.162 -16.055 -7.942 1.00 50.34 O ATOM 822 CB ARG A 51 -0.402 -15.496 -11.266 1.00 75.24 C ATOM 823 CG ARG A 51 0.774 -14.504 -11.103 1.00 45.43 C ATOM 824 CD ARG A 51 1.587 -14.349 -12.394 1.00 55.24 C ATOM 825 NE ARG A 51 0.739 -14.007 -13.558 1.00 33.03 N ATOM 826 CZ ARG A 51 1.004 -14.330 -14.837 1.00 4.32 C ATOM 827 NH1 ARG A 51 2.102 -15.003 -15.160 1.00 44.13 N ATOM 828 NH2 ARG A 51 0.160 -13.979 -15.795 1.00 20.22 N ATOM 0 H ARG A 51 -1.097 -13.782 -9.476 1.00 53.11 H new ATOM 0 HA ARG A 51 -1.992 -16.494 -10.173 1.00 15.34 H new ATOM 0 HB2 ARG A 51 -0.021 -16.421 -11.699 1.00 75.24 H new ATOM 0 HB3 ARG A 51 -1.114 -15.080 -11.979 1.00 75.24 H new ATOM 0 HG2 ARG A 51 0.387 -13.531 -10.801 1.00 45.43 H new ATOM 0 HG3 ARG A 51 1.429 -14.849 -10.303 1.00 45.43 H new ATOM 0 HD2 ARG A 51 2.339 -13.572 -12.255 1.00 55.24 H new ATOM 0 HD3 ARG A 51 2.121 -15.277 -12.597 1.00 55.24 H new ATOM 0 HE ARG A 51 -0.117 -13.483 -13.375 1.00 33.03 H new ATOM 0 HH11 ARG A 51 2.760 -15.284 -14.433 1.00 44.13 H new ATOM 0 HH12 ARG A 51 2.287 -15.239 -16.135 1.00 44.13 H new ATOM 0 HH21 ARG A 51 -0.690 -13.464 -15.563 1.00 20.22 H new ATOM 0 HH22 ARG A 51 0.359 -14.223 -16.765 1.00 20.22 H new ATOM 842 N GLY A 52 0.154 -17.822 -9.365 1.00 43.14 N ATOM 843 CA GLY A 52 1.080 -18.652 -8.584 1.00 74.35 C ATOM 844 C GLY A 52 2.497 -18.062 -8.487 1.00 34.33 C ATOM 845 O GLY A 52 3.231 -18.351 -7.534 1.00 30.51 O ATOM 0 H GLY A 52 -0.184 -18.271 -10.216 1.00 43.14 H new ATOM 0 HA2 GLY A 52 0.679 -18.782 -7.579 1.00 74.35 H new ATOM 0 HA3 GLY A 52 1.137 -19.642 -9.035 1.00 74.35 H new ATOM 849 N GLU A 53 2.879 -17.242 -9.487 1.00 34.41 N ATOM 850 CA GLU A 53 4.183 -16.546 -9.513 1.00 12.33 C ATOM 851 C GLU A 53 4.115 -15.255 -8.672 1.00 12.21 C ATOM 852 O GLU A 53 3.839 -14.166 -9.192 1.00 32.14 O ATOM 853 CB GLU A 53 4.609 -16.250 -10.976 1.00 32.00 C ATOM 854 CG GLU A 53 4.750 -17.512 -11.851 1.00 12.22 C ATOM 855 CD GLU A 53 4.983 -17.189 -13.331 1.00 71.45 C ATOM 856 OE1 GLU A 53 3.991 -16.920 -14.046 1.00 4.51 O ATOM 857 OE2 GLU A 53 6.151 -17.182 -13.784 1.00 73.14 O ATOM 0 H GLU A 53 2.294 -17.043 -10.298 1.00 34.41 H new ATOM 0 HA GLU A 53 4.941 -17.194 -9.072 1.00 12.33 H new ATOM 0 HB2 GLU A 53 3.875 -15.584 -11.431 1.00 32.00 H new ATOM 0 HB3 GLU A 53 5.560 -15.717 -10.967 1.00 32.00 H new ATOM 0 HG2 GLU A 53 5.580 -18.114 -11.481 1.00 12.22 H new ATOM 0 HG3 GLU A 53 3.849 -18.118 -11.754 1.00 12.22 H new ATOM 864 N PHE A 54 4.311 -15.407 -7.355 1.00 13.15 N ATOM 865 CA PHE A 54 4.392 -14.281 -6.415 1.00 11.21 C ATOM 866 C PHE A 54 5.838 -13.743 -6.359 1.00 72.13 C ATOM 867 O PHE A 54 6.775 -14.512 -6.123 1.00 20.44 O ATOM 868 CB PHE A 54 3.911 -14.708 -4.999 1.00 3.33 C ATOM 869 CG PHE A 54 3.944 -13.569 -3.980 1.00 44.34 C ATOM 870 CD1 PHE A 54 3.287 -12.373 -4.249 1.00 71.34 C ATOM 871 CD2 PHE A 54 4.641 -13.674 -2.781 1.00 62.05 C ATOM 872 CE1 PHE A 54 3.317 -11.328 -3.365 1.00 30.01 C ATOM 873 CE2 PHE A 54 4.670 -12.621 -1.895 1.00 0.52 C ATOM 874 CZ PHE A 54 4.008 -11.450 -2.192 1.00 73.12 C ATOM 0 H PHE A 54 4.418 -16.319 -6.910 1.00 13.15 H new ATOM 0 HA PHE A 54 3.735 -13.486 -6.767 1.00 11.21 H new ATOM 0 HB2 PHE A 54 2.894 -15.094 -5.069 1.00 3.33 H new ATOM 0 HB3 PHE A 54 4.538 -15.525 -4.641 1.00 3.33 H new ATOM 0 HD1 PHE A 54 2.742 -12.266 -5.175 1.00 71.34 H new ATOM 0 HD2 PHE A 54 5.164 -14.589 -2.543 1.00 62.05 H new ATOM 0 HE1 PHE A 54 2.796 -10.410 -3.594 1.00 30.01 H new ATOM 0 HE2 PHE A 54 5.213 -12.713 -0.966 1.00 0.52 H new ATOM 0 HZ PHE A 54 4.035 -10.625 -1.495 1.00 73.12 H new ATOM 884 N HIS A 55 6.009 -12.426 -6.604 1.00 62.44 N ATOM 885 CA HIS A 55 7.326 -11.759 -6.567 1.00 70.43 C ATOM 886 C HIS A 55 7.264 -10.515 -5.650 1.00 10.11 C ATOM 887 O HIS A 55 6.780 -9.454 -6.084 1.00 62.51 O ATOM 888 CB HIS A 55 7.790 -11.355 -7.997 1.00 33.31 C ATOM 889 CG HIS A 55 8.125 -12.497 -8.926 1.00 52.32 C ATOM 890 ND1 HIS A 55 9.347 -12.627 -9.541 1.00 34.22 N ATOM 891 CD2 HIS A 55 7.383 -13.536 -9.373 1.00 22.50 C ATOM 892 CE1 HIS A 55 9.339 -13.687 -10.320 1.00 2.13 C ATOM 893 NE2 HIS A 55 8.159 -14.259 -10.237 1.00 35.51 N ATOM 0 H HIS A 55 5.239 -11.797 -6.832 1.00 62.44 H new ATOM 0 HA HIS A 55 8.054 -12.463 -6.164 1.00 70.43 H new ATOM 0 HB2 HIS A 55 7.005 -10.755 -8.457 1.00 33.31 H new ATOM 0 HB3 HIS A 55 8.668 -10.715 -7.907 1.00 33.31 H new ATOM 0 HD2 HIS A 55 6.362 -13.755 -9.097 1.00 22.50 H new ATOM 0 HE1 HIS A 55 10.164 -14.030 -10.926 1.00 2.13 H new ATOM 0 HE2 HIS A 55 7.870 -15.102 -10.734 1.00 35.51 H new ATOM 902 N PRO A 56 7.736 -10.625 -4.356 1.00 74.43 N ATOM 903 CA PRO A 56 7.851 -9.457 -3.440 1.00 30.23 C ATOM 904 C PRO A 56 8.935 -8.472 -3.925 1.00 35.32 C ATOM 905 O PRO A 56 8.874 -7.278 -3.641 1.00 21.41 O ATOM 906 CB PRO A 56 8.241 -10.080 -2.062 1.00 55.43 C ATOM 907 CG PRO A 56 8.066 -11.568 -2.218 1.00 32.21 C ATOM 908 CD PRO A 56 8.206 -11.874 -3.695 1.00 24.14 C ATOM 0 HA PRO A 56 6.927 -8.881 -3.390 1.00 30.23 H new ATOM 0 HB2 PRO A 56 9.269 -9.833 -1.799 1.00 55.43 H new ATOM 0 HB3 PRO A 56 7.606 -9.693 -1.265 1.00 55.43 H new ATOM 0 HG2 PRO A 56 8.815 -12.108 -1.639 1.00 32.21 H new ATOM 0 HG3 PRO A 56 7.090 -11.883 -1.849 1.00 32.21 H new ATOM 0 HD2 PRO A 56 9.238 -12.105 -3.961 1.00 24.14 H new ATOM 0 HD3 PRO A 56 7.602 -12.733 -3.986 1.00 24.14 H new ATOM 916 N ASP A 57 9.923 -9.032 -4.649 1.00 25.12 N ATOM 917 CA ASP A 57 11.070 -8.294 -5.203 1.00 62.12 C ATOM 918 C ASP A 57 10.597 -7.307 -6.273 1.00 0.24 C ATOM 919 O ASP A 57 10.907 -6.115 -6.209 1.00 63.35 O ATOM 920 CB ASP A 57 12.096 -9.278 -5.827 1.00 51.41 C ATOM 921 CG ASP A 57 12.550 -10.381 -4.856 1.00 52.15 C ATOM 922 OD1 ASP A 57 11.740 -11.280 -4.548 1.00 43.44 O ATOM 923 OD2 ASP A 57 13.720 -10.372 -4.411 1.00 13.31 O ATOM 0 H ASP A 57 9.945 -10.028 -4.868 1.00 25.12 H new ATOM 0 HA ASP A 57 11.548 -7.745 -4.392 1.00 62.12 H new ATOM 0 HB2 ASP A 57 11.655 -9.740 -6.710 1.00 51.41 H new ATOM 0 HB3 ASP A 57 12.969 -8.718 -6.163 1.00 51.41 H new ATOM 928 N THR A 58 9.789 -7.826 -7.227 1.00 13.13 N ATOM 929 CA THR A 58 9.239 -7.041 -8.344 1.00 2.31 C ATOM 930 C THR A 58 8.280 -5.970 -7.791 1.00 41.24 C ATOM 931 O THR A 58 8.317 -4.799 -8.210 1.00 12.01 O ATOM 932 CB THR A 58 8.487 -7.972 -9.355 1.00 4.22 C ATOM 933 OG1 THR A 58 9.352 -9.047 -9.746 1.00 40.30 O ATOM 934 CG2 THR A 58 8.004 -7.226 -10.614 1.00 32.33 C ATOM 0 H THR A 58 9.503 -8.805 -7.239 1.00 13.13 H new ATOM 0 HA THR A 58 10.058 -6.555 -8.875 1.00 2.31 H new ATOM 0 HB THR A 58 7.602 -8.350 -8.844 1.00 4.22 H new ATOM 0 HG1 THR A 58 8.883 -9.632 -10.377 1.00 40.30 H new ATOM 0 HG21 THR A 58 7.491 -7.924 -11.276 1.00 32.33 H new ATOM 0 HG22 THR A 58 7.319 -6.429 -10.324 1.00 32.33 H new ATOM 0 HG23 THR A 58 8.861 -6.797 -11.133 1.00 32.33 H new ATOM 942 N LEU A 59 7.463 -6.405 -6.806 1.00 13.33 N ATOM 943 CA LEU A 59 6.524 -5.543 -6.085 1.00 42.50 C ATOM 944 C LEU A 59 7.252 -4.349 -5.441 1.00 40.13 C ATOM 945 O LEU A 59 6.958 -3.209 -5.781 1.00 21.52 O ATOM 946 CB LEU A 59 5.795 -6.386 -4.999 1.00 11.24 C ATOM 947 CG LEU A 59 4.749 -5.648 -4.098 1.00 31.45 C ATOM 948 CD1 LEU A 59 3.582 -5.066 -4.921 1.00 63.11 C ATOM 949 CD2 LEU A 59 4.237 -6.582 -2.985 1.00 30.44 C ATOM 0 H LEU A 59 7.443 -7.375 -6.493 1.00 13.33 H new ATOM 0 HA LEU A 59 5.795 -5.142 -6.789 1.00 42.50 H new ATOM 0 HB2 LEU A 59 5.287 -7.212 -5.498 1.00 11.24 H new ATOM 0 HB3 LEU A 59 6.552 -6.824 -4.348 1.00 11.24 H new ATOM 0 HG LEU A 59 5.257 -4.804 -3.632 1.00 31.45 H new ATOM 0 HD11 LEU A 59 2.882 -4.563 -4.254 1.00 63.11 H new ATOM 0 HD12 LEU A 59 3.970 -4.350 -5.646 1.00 63.11 H new ATOM 0 HD13 LEU A 59 3.069 -5.872 -5.445 1.00 63.11 H new ATOM 0 HD21 LEU A 59 3.511 -6.051 -2.370 1.00 30.44 H new ATOM 0 HD22 LEU A 59 3.763 -7.456 -3.433 1.00 30.44 H new ATOM 0 HD23 LEU A 59 5.074 -6.901 -2.364 1.00 30.44 H new ATOM 961 N GLN A 60 8.283 -4.640 -4.610 1.00 54.31 N ATOM 962 CA GLN A 60 8.924 -3.635 -3.736 1.00 63.54 C ATOM 963 C GLN A 60 9.730 -2.624 -4.553 1.00 4.32 C ATOM 964 O GLN A 60 9.663 -1.422 -4.282 1.00 30.23 O ATOM 965 CB GLN A 60 9.829 -4.301 -2.666 1.00 32.23 C ATOM 966 CG GLN A 60 10.402 -3.309 -1.617 1.00 74.03 C ATOM 967 CD GLN A 60 11.204 -3.966 -0.490 1.00 54.43 C ATOM 968 OE1 GLN A 60 11.796 -5.029 -0.662 1.00 52.13 O ATOM 969 NE2 GLN A 60 11.266 -3.315 0.662 1.00 42.12 N ATOM 0 H GLN A 60 8.689 -5.572 -4.529 1.00 54.31 H new ATOM 0 HA GLN A 60 8.123 -3.105 -3.220 1.00 63.54 H new ATOM 0 HB2 GLN A 60 9.256 -5.070 -2.148 1.00 32.23 H new ATOM 0 HB3 GLN A 60 10.657 -4.803 -3.167 1.00 32.23 H new ATOM 0 HG2 GLN A 60 11.041 -2.589 -2.128 1.00 74.03 H new ATOM 0 HG3 GLN A 60 9.577 -2.748 -1.179 1.00 74.03 H new ATOM 0 HE21 GLN A 60 10.765 -2.434 0.778 1.00 42.12 H new ATOM 0 HE22 GLN A 60 11.815 -3.694 1.433 1.00 42.12 H new ATOM 978 N MET A 61 10.489 -3.121 -5.553 1.00 32.13 N ATOM 979 CA MET A 61 11.300 -2.263 -6.435 1.00 13.40 C ATOM 980 C MET A 61 10.405 -1.292 -7.227 1.00 2.02 C ATOM 981 O MET A 61 10.755 -0.115 -7.383 1.00 41.11 O ATOM 982 CB MET A 61 12.174 -3.110 -7.400 1.00 3.14 C ATOM 983 CG MET A 61 13.234 -3.976 -6.705 1.00 34.32 C ATOM 984 SD MET A 61 14.288 -4.874 -7.873 1.00 64.24 S ATOM 985 CE MET A 61 13.097 -5.841 -8.804 1.00 4.21 C ATOM 0 H MET A 61 10.555 -4.116 -5.768 1.00 32.13 H new ATOM 0 HA MET A 61 11.969 -1.679 -5.803 1.00 13.40 H new ATOM 0 HB2 MET A 61 11.522 -3.757 -7.987 1.00 3.14 H new ATOM 0 HB3 MET A 61 12.673 -2.440 -8.101 1.00 3.14 H new ATOM 0 HG2 MET A 61 13.857 -3.342 -6.074 1.00 34.32 H new ATOM 0 HG3 MET A 61 12.738 -4.690 -6.048 1.00 34.32 H new ATOM 0 HE1 MET A 61 13.624 -6.540 -9.454 1.00 4.21 H new ATOM 0 HE2 MET A 61 12.461 -6.396 -8.115 1.00 4.21 H new ATOM 0 HE3 MET A 61 12.482 -5.175 -9.410 1.00 4.21 H new ATOM 995 N ALA A 62 9.237 -1.792 -7.697 1.00 21.41 N ATOM 996 CA ALA A 62 8.260 -0.970 -8.434 1.00 33.12 C ATOM 997 C ALA A 62 7.660 0.099 -7.517 1.00 70.53 C ATOM 998 O ALA A 62 7.478 1.250 -7.932 1.00 22.43 O ATOM 999 CB ALA A 62 7.152 -1.841 -9.025 1.00 54.30 C ATOM 0 H ALA A 62 8.952 -2.764 -7.576 1.00 21.41 H new ATOM 0 HA ALA A 62 8.783 -0.476 -9.253 1.00 33.12 H new ATOM 0 HB1 ALA A 62 6.443 -1.212 -9.564 1.00 54.30 H new ATOM 0 HB2 ALA A 62 7.587 -2.568 -9.711 1.00 54.30 H new ATOM 0 HB3 ALA A 62 6.634 -2.365 -8.222 1.00 54.30 H new ATOM 1005 N LEU A 63 7.374 -0.308 -6.258 1.00 22.30 N ATOM 1006 CA LEU A 63 6.852 0.586 -5.214 1.00 43.24 C ATOM 1007 C LEU A 63 7.803 1.776 -5.026 1.00 2.44 C ATOM 1008 O LEU A 63 7.358 2.912 -5.012 1.00 53.21 O ATOM 1009 CB LEU A 63 6.642 -0.177 -3.874 1.00 44.03 C ATOM 1010 CG LEU A 63 5.524 -1.265 -3.877 1.00 75.41 C ATOM 1011 CD1 LEU A 63 5.574 -2.121 -2.600 1.00 52.55 C ATOM 1012 CD2 LEU A 63 4.120 -0.649 -4.095 1.00 32.45 C ATOM 0 H LEU A 63 7.501 -1.270 -5.943 1.00 22.30 H new ATOM 0 HA LEU A 63 5.879 0.960 -5.531 1.00 43.24 H new ATOM 0 HB2 LEU A 63 7.583 -0.652 -3.597 1.00 44.03 H new ATOM 0 HB3 LEU A 63 6.412 0.551 -3.096 1.00 44.03 H new ATOM 0 HG LEU A 63 5.717 -1.924 -4.723 1.00 75.41 H new ATOM 0 HD11 LEU A 63 4.782 -2.870 -2.633 1.00 52.55 H new ATOM 0 HD12 LEU A 63 6.542 -2.619 -2.533 1.00 52.55 H new ATOM 0 HD13 LEU A 63 5.433 -1.482 -1.728 1.00 52.55 H new ATOM 0 HD21 LEU A 63 3.371 -1.441 -4.090 1.00 32.45 H new ATOM 0 HD22 LEU A 63 3.905 0.059 -3.295 1.00 32.45 H new ATOM 0 HD23 LEU A 63 4.095 -0.131 -5.054 1.00 32.45 H new ATOM 1024 N GLN A 64 9.121 1.496 -4.922 1.00 12.21 N ATOM 1025 CA GLN A 64 10.153 2.548 -4.778 1.00 23.24 C ATOM 1026 C GLN A 64 10.130 3.543 -5.960 1.00 63.32 C ATOM 1027 O GLN A 64 10.291 4.751 -5.744 1.00 73.03 O ATOM 1028 CB GLN A 64 11.571 1.927 -4.618 1.00 3.44 C ATOM 1029 CG GLN A 64 11.713 0.897 -3.475 1.00 14.51 C ATOM 1030 CD GLN A 64 11.179 1.384 -2.124 1.00 13.34 C ATOM 1031 OE1 GLN A 64 11.895 2.009 -1.345 1.00 41.50 O ATOM 1032 NE2 GLN A 64 9.925 1.083 -1.823 1.00 11.34 N ATOM 0 H GLN A 64 9.496 0.548 -4.935 1.00 12.21 H new ATOM 0 HA GLN A 64 9.915 3.104 -3.871 1.00 23.24 H new ATOM 0 HB2 GLN A 64 11.847 1.445 -5.556 1.00 3.44 H new ATOM 0 HB3 GLN A 64 12.286 2.732 -4.451 1.00 3.44 H new ATOM 0 HG2 GLN A 64 11.186 -0.015 -3.755 1.00 14.51 H new ATOM 0 HG3 GLN A 64 12.765 0.636 -3.365 1.00 14.51 H new ATOM 0 HE21 GLN A 64 9.352 0.563 -2.487 1.00 11.34 H new ATOM 0 HE22 GLN A 64 9.532 1.371 -0.927 1.00 11.34 H new ATOM 1041 N VAL A 65 9.900 3.031 -7.197 1.00 50.21 N ATOM 1042 CA VAL A 65 9.831 3.873 -8.421 1.00 14.21 C ATOM 1043 C VAL A 65 8.665 4.873 -8.315 1.00 13.44 C ATOM 1044 O VAL A 65 8.790 6.041 -8.692 1.00 54.35 O ATOM 1045 CB VAL A 65 9.658 2.980 -9.716 1.00 32.03 C ATOM 1046 CG1 VAL A 65 9.452 3.825 -11.005 1.00 23.01 C ATOM 1047 CG2 VAL A 65 10.856 2.015 -9.878 1.00 11.40 C ATOM 0 H VAL A 65 9.759 2.036 -7.373 1.00 50.21 H new ATOM 0 HA VAL A 65 10.768 4.423 -8.505 1.00 14.21 H new ATOM 0 HB VAL A 65 8.749 2.395 -9.576 1.00 32.03 H new ATOM 0 HG11 VAL A 65 9.339 3.160 -11.862 1.00 23.01 H new ATOM 0 HG12 VAL A 65 8.556 4.437 -10.900 1.00 23.01 H new ATOM 0 HG13 VAL A 65 10.316 4.471 -11.159 1.00 23.01 H new ATOM 0 HG21 VAL A 65 10.717 1.410 -10.774 1.00 11.40 H new ATOM 0 HG22 VAL A 65 11.777 2.591 -9.968 1.00 11.40 H new ATOM 0 HG23 VAL A 65 10.919 1.363 -9.007 1.00 11.40 H new ATOM 1057 N VAL A 66 7.545 4.403 -7.749 1.00 24.52 N ATOM 1058 CA VAL A 66 6.311 5.199 -7.623 1.00 23.55 C ATOM 1059 C VAL A 66 6.195 5.810 -6.199 1.00 12.51 C ATOM 1060 O VAL A 66 5.134 6.317 -5.822 1.00 4.41 O ATOM 1061 CB VAL A 66 5.048 4.336 -8.015 1.00 34.02 C ATOM 1062 CG1 VAL A 66 5.139 3.874 -9.495 1.00 72.30 C ATOM 1063 CG2 VAL A 66 4.864 3.120 -7.079 1.00 40.14 C ATOM 0 H VAL A 66 7.466 3.461 -7.365 1.00 24.52 H new ATOM 0 HA VAL A 66 6.356 6.033 -8.324 1.00 23.55 H new ATOM 0 HB VAL A 66 4.172 4.973 -7.898 1.00 34.02 H new ATOM 0 HG11 VAL A 66 4.260 3.281 -9.746 1.00 72.30 H new ATOM 0 HG12 VAL A 66 5.186 4.747 -10.146 1.00 72.30 H new ATOM 0 HG13 VAL A 66 6.036 3.270 -9.633 1.00 72.30 H new ATOM 0 HG21 VAL A 66 3.984 2.555 -7.385 1.00 40.14 H new ATOM 0 HG22 VAL A 66 5.744 2.480 -7.137 1.00 40.14 H new ATOM 0 HG23 VAL A 66 4.734 3.466 -6.054 1.00 40.14 H new ATOM 1073 N ASN A 67 7.332 5.770 -5.447 1.00 33.24 N ATOM 1074 CA ASN A 67 7.538 6.456 -4.138 1.00 74.54 C ATOM 1075 C ASN A 67 6.565 5.985 -3.042 1.00 72.43 C ATOM 1076 O ASN A 67 6.091 6.774 -2.209 1.00 22.54 O ATOM 1077 CB ASN A 67 7.530 7.993 -4.304 1.00 3.22 C ATOM 1078 CG ASN A 67 8.608 8.478 -5.274 1.00 71.43 C ATOM 1079 OD1 ASN A 67 9.752 8.710 -4.889 1.00 1.24 O ATOM 1080 ND2 ASN A 67 8.259 8.628 -6.541 1.00 24.12 N ATOM 0 H ASN A 67 8.154 5.244 -5.744 1.00 33.24 H new ATOM 0 HA ASN A 67 8.529 6.164 -3.790 1.00 74.54 H new ATOM 0 HB2 ASN A 67 6.551 8.312 -4.663 1.00 3.22 H new ATOM 0 HB3 ASN A 67 7.682 8.462 -3.332 1.00 3.22 H new ATOM 0 HD21 ASN A 67 8.946 8.943 -7.225 1.00 24.12 H new ATOM 0 HD22 ASN A 67 7.302 8.428 -6.834 1.00 24.12 H new ATOM 1087 N ILE A 68 6.314 4.677 -3.046 1.00 60.34 N ATOM 1088 CA ILE A 68 5.628 3.957 -1.970 1.00 34.12 C ATOM 1089 C ILE A 68 6.712 3.202 -1.182 1.00 35.24 C ATOM 1090 O ILE A 68 7.274 2.221 -1.694 1.00 41.14 O ATOM 1091 CB ILE A 68 4.583 2.907 -2.531 1.00 11.13 C ATOM 1092 CG1 ILE A 68 3.690 3.519 -3.659 1.00 22.42 C ATOM 1093 CG2 ILE A 68 3.717 2.312 -1.390 1.00 52.52 C ATOM 1094 CD1 ILE A 68 2.841 4.691 -3.249 1.00 44.13 C ATOM 0 H ILE A 68 6.589 4.070 -3.818 1.00 60.34 H new ATOM 0 HA ILE A 68 5.078 4.667 -1.352 1.00 34.12 H new ATOM 0 HB ILE A 68 5.153 2.093 -2.978 1.00 11.13 H new ATOM 0 HG12 ILE A 68 4.335 3.830 -4.481 1.00 22.42 H new ATOM 0 HG13 ILE A 68 3.037 2.737 -4.045 1.00 22.42 H new ATOM 0 HG21 ILE A 68 3.010 1.595 -1.806 1.00 52.52 H new ATOM 0 HG22 ILE A 68 4.361 1.809 -0.669 1.00 52.52 H new ATOM 0 HG23 ILE A 68 3.171 3.113 -0.892 1.00 52.52 H new ATOM 0 HD11 ILE A 68 2.262 5.038 -4.105 1.00 44.13 H new ATOM 0 HD12 ILE A 68 2.163 4.388 -2.451 1.00 44.13 H new ATOM 0 HD13 ILE A 68 3.482 5.498 -2.893 1.00 44.13 H new ATOM 1106 N GLN A 69 7.051 3.666 0.032 1.00 13.02 N ATOM 1107 CA GLN A 69 8.082 2.991 0.855 1.00 33.20 C ATOM 1108 C GLN A 69 7.445 1.819 1.625 1.00 62.04 C ATOM 1109 O GLN A 69 6.260 1.857 1.975 1.00 44.21 O ATOM 1110 CB GLN A 69 8.811 3.968 1.828 1.00 33.05 C ATOM 1111 CG GLN A 69 7.908 4.709 2.849 1.00 73.01 C ATOM 1112 CD GLN A 69 7.504 6.126 2.432 1.00 44.51 C ATOM 1113 OE1 GLN A 69 6.487 6.343 1.783 1.00 2.44 O ATOM 1114 NE2 GLN A 69 8.306 7.103 2.810 1.00 21.44 N ATOM 0 H GLN A 69 6.637 4.492 0.465 1.00 13.02 H new ATOM 0 HA GLN A 69 8.846 2.609 0.178 1.00 33.20 H new ATOM 0 HB2 GLN A 69 9.564 3.405 2.380 1.00 33.05 H new ATOM 0 HB3 GLN A 69 9.341 4.713 1.234 1.00 33.05 H new ATOM 0 HG2 GLN A 69 7.005 4.120 3.010 1.00 73.01 H new ATOM 0 HG3 GLN A 69 8.429 4.760 3.805 1.00 73.01 H new ATOM 0 HE21 GLN A 69 9.146 6.893 3.350 1.00 21.44 H new ATOM 0 HE22 GLN A 69 8.086 8.068 2.563 1.00 21.44 H new ATOM 1123 N THR A 70 8.251 0.776 1.879 1.00 54.14 N ATOM 1124 CA THR A 70 7.796 -0.451 2.541 1.00 50.41 C ATOM 1125 C THR A 70 8.106 -0.356 4.040 1.00 41.14 C ATOM 1126 O THR A 70 9.272 -0.383 4.447 1.00 24.33 O ATOM 1127 CB THR A 70 8.475 -1.716 1.922 1.00 35.30 C ATOM 1128 OG1 THR A 70 8.241 -1.742 0.500 1.00 42.13 O ATOM 1129 CG2 THR A 70 7.948 -3.021 2.552 1.00 1.05 C ATOM 0 H THR A 70 9.240 0.763 1.629 1.00 54.14 H new ATOM 0 HA THR A 70 6.721 -0.553 2.393 1.00 50.41 H new ATOM 0 HB THR A 70 9.543 -1.653 2.129 1.00 35.30 H new ATOM 0 HG1 THR A 70 7.903 -2.625 0.240 1.00 42.13 H new ATOM 0 HG21 THR A 70 8.447 -3.874 2.092 1.00 1.05 H new ATOM 0 HG22 THR A 70 8.151 -3.016 3.623 1.00 1.05 H new ATOM 0 HG23 THR A 70 6.873 -3.097 2.387 1.00 1.05 H new ATOM 1137 N ILE A 71 7.050 -0.216 4.846 1.00 21.32 N ATOM 1138 CA ILE A 71 7.161 -0.065 6.306 1.00 61.43 C ATOM 1139 C ILE A 71 7.376 -1.440 6.957 1.00 44.31 C ATOM 1140 O ILE A 71 8.187 -1.580 7.878 1.00 41.34 O ATOM 1141 CB ILE A 71 5.894 0.666 6.891 1.00 22.21 C ATOM 1142 CG1 ILE A 71 5.655 2.012 6.125 1.00 64.05 C ATOM 1143 CG2 ILE A 71 6.015 0.903 8.419 1.00 33.01 C ATOM 1144 CD1 ILE A 71 6.846 2.957 6.103 1.00 73.23 C ATOM 0 H ILE A 71 6.088 -0.204 4.506 1.00 21.32 H new ATOM 0 HA ILE A 71 8.025 0.558 6.536 1.00 61.43 H new ATOM 0 HB ILE A 71 5.030 0.018 6.743 1.00 22.21 H new ATOM 0 HG12 ILE A 71 5.373 1.783 5.097 1.00 64.05 H new ATOM 0 HG13 ILE A 71 4.809 2.527 6.581 1.00 64.05 H new ATOM 0 HG21 ILE A 71 5.120 1.409 8.781 1.00 33.01 H new ATOM 0 HG22 ILE A 71 6.121 -0.055 8.928 1.00 33.01 H new ATOM 0 HG23 ILE A 71 6.889 1.521 8.623 1.00 33.01 H new ATOM 0 HD11 ILE A 71 6.584 3.860 5.551 1.00 73.23 H new ATOM 0 HD12 ILE A 71 7.119 3.223 7.124 1.00 73.23 H new ATOM 0 HD13 ILE A 71 7.690 2.467 5.618 1.00 73.23 H new ATOM 1156 N ALA A 72 6.648 -2.450 6.451 1.00 43.32 N ATOM 1157 CA ALA A 72 6.826 -3.866 6.824 1.00 31.42 C ATOM 1158 C ALA A 72 6.468 -4.771 5.631 1.00 12.10 C ATOM 1159 O ALA A 72 5.721 -4.360 4.737 1.00 1.03 O ATOM 1160 CB ALA A 72 5.963 -4.211 8.048 1.00 73.14 C ATOM 0 H ALA A 72 5.910 -2.305 5.762 1.00 43.32 H new ATOM 0 HA ALA A 72 7.870 -4.035 7.088 1.00 31.42 H new ATOM 0 HB1 ALA A 72 6.106 -5.259 8.310 1.00 73.14 H new ATOM 0 HB2 ALA A 72 6.257 -3.583 8.889 1.00 73.14 H new ATOM 0 HB3 ALA A 72 4.913 -4.035 7.814 1.00 73.14 H new ATOM 1166 N MET A 73 7.019 -5.999 5.624 1.00 53.12 N ATOM 1167 CA MET A 73 6.768 -7.004 4.574 1.00 15.42 C ATOM 1168 C MET A 73 7.035 -8.414 5.126 1.00 41.20 C ATOM 1169 O MET A 73 8.114 -8.673 5.679 1.00 31.14 O ATOM 1170 CB MET A 73 7.650 -6.736 3.318 1.00 34.12 C ATOM 1171 CG MET A 73 7.462 -7.751 2.173 1.00 72.14 C ATOM 1172 SD MET A 73 8.411 -7.362 0.684 1.00 12.14 S ATOM 1173 CE MET A 73 7.621 -5.860 0.107 1.00 10.14 C ATOM 0 H MET A 73 7.655 -6.324 6.352 1.00 53.12 H new ATOM 0 HA MET A 73 5.724 -6.931 4.270 1.00 15.42 H new ATOM 0 HB2 MET A 73 7.428 -5.738 2.941 1.00 34.12 H new ATOM 0 HB3 MET A 73 8.698 -6.738 3.619 1.00 34.12 H new ATOM 0 HG2 MET A 73 7.750 -8.741 2.527 1.00 72.14 H new ATOM 0 HG3 MET A 73 6.404 -7.801 1.915 1.00 72.14 H new ATOM 0 HE1 MET A 73 7.252 -6.010 -0.908 1.00 10.14 H new ATOM 0 HE2 MET A 73 6.787 -5.612 0.764 1.00 10.14 H new ATOM 0 HE3 MET A 73 8.343 -5.043 0.114 1.00 10.14 H new ATOM 1183 N SER A 74 6.044 -9.309 4.977 1.00 13.10 N ATOM 1184 CA SER A 74 6.140 -10.717 5.396 1.00 11.24 C ATOM 1185 C SER A 74 7.055 -11.512 4.437 1.00 54.54 C ATOM 1186 O SER A 74 7.449 -11.017 3.366 1.00 31.21 O ATOM 1187 CB SER A 74 4.719 -11.338 5.461 1.00 35.12 C ATOM 1188 OG SER A 74 4.739 -12.700 5.850 1.00 61.33 O ATOM 0 H SER A 74 5.145 -9.073 4.558 1.00 13.10 H new ATOM 0 HA SER A 74 6.587 -10.765 6.389 1.00 11.24 H new ATOM 0 HB2 SER A 74 4.110 -10.771 6.166 1.00 35.12 H new ATOM 0 HB3 SER A 74 4.242 -11.249 4.485 1.00 35.12 H new ATOM 0 HG SER A 74 3.822 -13.046 5.878 1.00 61.33 H new ATOM 1194 N ARG A 75 7.395 -12.741 4.838 1.00 65.02 N ATOM 1195 CA ARG A 75 8.296 -13.626 4.085 1.00 23.43 C ATOM 1196 C ARG A 75 7.546 -14.265 2.899 1.00 15.41 C ATOM 1197 O ARG A 75 6.363 -14.615 3.019 1.00 13.31 O ATOM 1198 CB ARG A 75 8.842 -14.723 5.026 1.00 23.32 C ATOM 1199 CG ARG A 75 9.474 -14.192 6.336 1.00 22.41 C ATOM 1200 CD ARG A 75 9.672 -15.308 7.375 1.00 13.34 C ATOM 1201 NE ARG A 75 8.422 -16.079 7.569 1.00 25.24 N ATOM 1202 CZ ARG A 75 7.646 -16.062 8.654 1.00 41.25 C ATOM 1203 NH1 ARG A 75 7.950 -15.316 9.713 1.00 14.33 N ATOM 1204 NH2 ARG A 75 6.535 -16.778 8.662 1.00 71.23 N ATOM 0 H ARG A 75 7.050 -13.156 5.704 1.00 65.02 H new ATOM 0 HA ARG A 75 9.129 -13.043 3.692 1.00 23.43 H new ATOM 0 HB2 ARG A 75 8.029 -15.403 5.280 1.00 23.32 H new ATOM 0 HB3 ARG A 75 9.589 -15.306 4.488 1.00 23.32 H new ATOM 0 HG2 ARG A 75 10.436 -13.730 6.113 1.00 22.41 H new ATOM 0 HG3 ARG A 75 8.837 -13.414 6.757 1.00 22.41 H new ATOM 0 HD2 ARG A 75 10.469 -15.976 7.049 1.00 13.34 H new ATOM 0 HD3 ARG A 75 9.988 -14.875 8.324 1.00 13.34 H new ATOM 0 HE ARG A 75 8.127 -16.680 6.800 1.00 25.24 H new ATOM 0 HH11 ARG A 75 8.792 -14.740 9.707 1.00 14.33 H new ATOM 0 HH12 ARG A 75 7.341 -15.320 10.531 1.00 14.33 H new ATOM 0 HH21 ARG A 75 6.281 -17.334 7.846 1.00 71.23 H new ATOM 0 HH22 ARG A 75 5.932 -16.775 9.485 1.00 71.23 H new ATOM 1218 N ALA A 76 8.250 -14.411 1.769 1.00 31.12 N ATOM 1219 CA ALA A 76 7.722 -15.041 0.551 1.00 1.22 C ATOM 1220 C ALA A 76 7.407 -16.523 0.828 1.00 21.35 C ATOM 1221 O ALA A 76 8.247 -17.237 1.400 1.00 2.31 O ATOM 1222 CB ALA A 76 8.747 -14.901 -0.593 1.00 75.30 C ATOM 0 H ALA A 76 9.214 -14.091 1.673 1.00 31.12 H new ATOM 0 HA ALA A 76 6.800 -14.543 0.251 1.00 1.22 H new ATOM 0 HB1 ALA A 76 8.352 -15.369 -1.495 1.00 75.30 H new ATOM 0 HB2 ALA A 76 8.935 -13.845 -0.785 1.00 75.30 H new ATOM 0 HB3 ALA A 76 9.679 -15.390 -0.309 1.00 75.30 H new ATOM 1228 N GLY A 77 6.202 -16.975 0.445 1.00 12.24 N ATOM 1229 CA GLY A 77 5.738 -18.336 0.735 1.00 14.24 C ATOM 1230 C GLY A 77 4.965 -18.455 2.045 1.00 4.23 C ATOM 1231 O GLY A 77 4.193 -19.409 2.225 1.00 41.53 O ATOM 0 H GLY A 77 5.528 -16.409 -0.071 1.00 12.24 H new ATOM 0 HA2 GLY A 77 5.103 -18.676 -0.083 1.00 14.24 H new ATOM 0 HA3 GLY A 77 6.599 -19.004 0.769 1.00 14.24 H new ATOM 1235 N SER A 78 5.155 -17.483 2.963 1.00 42.43 N ATOM 1236 CA SER A 78 4.433 -17.444 4.245 1.00 42.54 C ATOM 1237 C SER A 78 3.086 -16.745 4.016 1.00 72.42 C ATOM 1238 O SER A 78 3.055 -15.581 3.613 1.00 53.14 O ATOM 1239 CB SER A 78 5.271 -16.691 5.311 1.00 75.23 C ATOM 1240 OG SER A 78 6.536 -17.306 5.507 1.00 1.54 O ATOM 0 H SER A 78 5.809 -16.711 2.834 1.00 42.43 H new ATOM 0 HA SER A 78 4.264 -18.456 4.613 1.00 42.54 H new ATOM 0 HB2 SER A 78 5.413 -15.656 5.000 1.00 75.23 H new ATOM 0 HB3 SER A 78 4.726 -16.668 6.255 1.00 75.23 H new ATOM 0 HG SER A 78 6.415 -18.167 5.959 1.00 1.54 H new ATOM 1246 N ARG A 79 1.979 -17.478 4.255 1.00 34.41 N ATOM 1247 CA ARG A 79 0.604 -16.992 3.994 1.00 53.11 C ATOM 1248 C ARG A 79 -0.298 -17.197 5.236 1.00 74.10 C ATOM 1249 O ARG A 79 -0.133 -18.198 5.936 1.00 75.44 O ATOM 1250 CB ARG A 79 0.012 -17.691 2.735 1.00 64.52 C ATOM 1251 CG ARG A 79 0.632 -17.207 1.404 1.00 70.21 C ATOM 1252 CD ARG A 79 0.068 -17.947 0.185 1.00 13.51 C ATOM 1253 NE ARG A 79 0.517 -17.358 -1.087 1.00 41.53 N ATOM 1254 CZ ARG A 79 1.532 -17.800 -1.852 1.00 21.44 C ATOM 1255 NH1 ARG A 79 2.256 -18.861 -1.499 1.00 30.25 N ATOM 1256 NH2 ARG A 79 1.794 -17.181 -2.989 1.00 24.23 N ATOM 0 H ARG A 79 2.011 -18.424 4.635 1.00 34.41 H new ATOM 0 HA ARG A 79 0.645 -15.921 3.794 1.00 53.11 H new ATOM 0 HB2 ARG A 79 0.161 -18.767 2.824 1.00 64.52 H new ATOM 0 HB3 ARG A 79 -1.064 -17.519 2.708 1.00 64.52 H new ATOM 0 HG2 ARG A 79 0.451 -16.138 1.291 1.00 70.21 H new ATOM 0 HG3 ARG A 79 1.713 -17.345 1.440 1.00 70.21 H new ATOM 0 HD2 ARG A 79 0.373 -18.993 0.225 1.00 13.51 H new ATOM 0 HD3 ARG A 79 -1.021 -17.930 0.225 1.00 13.51 H new ATOM 0 HE ARG A 79 0.011 -16.537 -1.420 1.00 41.53 H new ATOM 0 HH11 ARG A 79 2.046 -19.357 -0.633 1.00 30.25 H new ATOM 0 HH12 ARG A 79 3.021 -19.178 -2.095 1.00 30.25 H new ATOM 0 HH21 ARG A 79 1.230 -16.381 -3.276 1.00 24.23 H new ATOM 0 HH22 ARG A 79 2.560 -17.503 -3.580 1.00 24.23 H new ATOM 1270 N PRO A 80 -1.288 -16.274 5.542 1.00 22.14 N ATOM 1271 CA PRO A 80 -1.640 -15.079 4.712 1.00 34.11 C ATOM 1272 C PRO A 80 -0.563 -13.962 4.770 1.00 74.31 C ATOM 1273 O PRO A 80 -0.292 -13.385 5.832 1.00 30.31 O ATOM 1274 CB PRO A 80 -2.995 -14.619 5.312 1.00 23.23 C ATOM 1275 CG PRO A 80 -2.929 -15.044 6.750 1.00 64.22 C ATOM 1276 CD PRO A 80 -2.152 -16.353 6.756 1.00 62.31 C ATOM 0 HA PRO A 80 -1.700 -15.315 3.650 1.00 34.11 H new ATOM 0 HB2 PRO A 80 -3.124 -13.540 5.222 1.00 23.23 H new ATOM 0 HB3 PRO A 80 -3.836 -15.085 4.798 1.00 23.23 H new ATOM 0 HG2 PRO A 80 -2.431 -14.290 7.359 1.00 64.22 H new ATOM 0 HG3 PRO A 80 -3.928 -15.179 7.165 1.00 64.22 H new ATOM 0 HD2 PRO A 80 -1.556 -16.458 7.662 1.00 62.31 H new ATOM 0 HD3 PRO A 80 -2.821 -17.213 6.713 1.00 62.31 H new ATOM 1284 N TRP A 81 0.065 -13.716 3.604 1.00 11.14 N ATOM 1285 CA TRP A 81 1.191 -12.785 3.450 1.00 64.33 C ATOM 1286 C TRP A 81 0.716 -11.340 3.657 1.00 41.51 C ATOM 1287 O TRP A 81 -0.148 -10.880 2.931 1.00 72.53 O ATOM 1288 CB TRP A 81 1.822 -12.975 2.039 1.00 23.14 C ATOM 1289 CG TRP A 81 2.999 -12.069 1.754 1.00 42.44 C ATOM 1290 CD1 TRP A 81 4.312 -12.313 2.035 1.00 21.22 C ATOM 1291 CD2 TRP A 81 2.962 -10.777 1.124 1.00 24.33 C ATOM 1292 NE1 TRP A 81 5.087 -11.254 1.633 1.00 70.14 N ATOM 1293 CE2 TRP A 81 4.283 -10.301 1.072 1.00 3.44 C ATOM 1294 CE3 TRP A 81 1.937 -9.983 0.595 1.00 23.15 C ATOM 1295 CZ2 TRP A 81 4.606 -9.077 0.508 1.00 14.50 C ATOM 1296 CZ3 TRP A 81 2.259 -8.762 0.049 1.00 74.21 C ATOM 1297 CH2 TRP A 81 3.586 -8.319 0.010 1.00 12.41 C ATOM 0 H TRP A 81 -0.203 -14.168 2.730 1.00 11.14 H new ATOM 0 HA TRP A 81 1.950 -12.995 4.204 1.00 64.33 H new ATOM 0 HB2 TRP A 81 2.143 -14.011 1.935 1.00 23.14 H new ATOM 0 HB3 TRP A 81 1.054 -12.802 1.285 1.00 23.14 H new ATOM 0 HD1 TRP A 81 4.687 -13.210 2.506 1.00 21.22 H new ATOM 0 HE1 TRP A 81 6.100 -11.188 1.736 1.00 70.14 H new ATOM 0 HE3 TRP A 81 0.912 -10.323 0.615 1.00 23.15 H new ATOM 0 HZ2 TRP A 81 5.629 -8.735 0.464 1.00 14.50 H new ATOM 0 HZ3 TRP A 81 1.477 -8.137 -0.355 1.00 74.21 H new ATOM 0 HH2 TRP A 81 3.808 -7.355 -0.424 1.00 12.41 H new ATOM 1308 N LYS A 82 1.288 -10.633 4.634 1.00 51.44 N ATOM 1309 CA LYS A 82 0.913 -9.239 4.941 1.00 52.34 C ATOM 1310 C LYS A 82 2.072 -8.290 4.592 1.00 13.21 C ATOM 1311 O LYS A 82 3.236 -8.674 4.673 1.00 32.34 O ATOM 1312 CB LYS A 82 0.530 -9.117 6.437 1.00 32.22 C ATOM 1313 CG LYS A 82 0.114 -7.695 6.886 1.00 43.21 C ATOM 1314 CD LYS A 82 -0.305 -7.628 8.364 1.00 14.30 C ATOM 1315 CE LYS A 82 -1.553 -8.474 8.671 1.00 0.11 C ATOM 1316 NZ LYS A 82 -2.712 -8.073 7.843 1.00 40.22 N ATOM 0 H LYS A 82 2.023 -11.004 5.237 1.00 51.44 H new ATOM 0 HA LYS A 82 0.050 -8.957 4.338 1.00 52.34 H new ATOM 0 HB2 LYS A 82 -0.291 -9.803 6.645 1.00 32.22 H new ATOM 0 HB3 LYS A 82 1.377 -9.441 7.042 1.00 32.22 H new ATOM 0 HG2 LYS A 82 0.945 -7.010 6.719 1.00 43.21 H new ATOM 0 HG3 LYS A 82 -0.713 -7.351 6.264 1.00 43.21 H new ATOM 0 HD2 LYS A 82 0.522 -7.970 8.987 1.00 14.30 H new ATOM 0 HD3 LYS A 82 -0.500 -6.590 8.635 1.00 14.30 H new ATOM 0 HE2 LYS A 82 -1.329 -9.526 8.496 1.00 0.11 H new ATOM 0 HE3 LYS A 82 -1.809 -8.373 9.726 1.00 0.11 H new ATOM 0 HZ1 LYS A 82 -3.516 -8.700 8.045 1.00 40.22 H new ATOM 0 HZ2 LYS A 82 -2.974 -7.091 8.065 1.00 40.22 H new ATOM 0 HZ3 LYS A 82 -2.461 -8.145 6.836 1.00 40.22 H new ATOM 1330 N ALA A 83 1.741 -7.053 4.198 1.00 14.13 N ATOM 1331 CA ALA A 83 2.725 -5.980 3.980 1.00 21.22 C ATOM 1332 C ALA A 83 2.102 -4.638 4.361 1.00 54.40 C ATOM 1333 O ALA A 83 0.930 -4.397 4.087 1.00 60.21 O ATOM 1334 CB ALA A 83 3.198 -5.947 2.521 1.00 54.21 C ATOM 0 H ALA A 83 0.779 -6.765 4.020 1.00 14.13 H new ATOM 0 HA ALA A 83 3.595 -6.174 4.607 1.00 21.22 H new ATOM 0 HB1 ALA A 83 3.924 -5.144 2.392 1.00 54.21 H new ATOM 0 HB2 ALA A 83 3.662 -6.900 2.267 1.00 54.21 H new ATOM 0 HB3 ALA A 83 2.345 -5.773 1.866 1.00 54.21 H new ATOM 1340 N TYR A 84 2.900 -3.787 5.007 1.00 13.42 N ATOM 1341 CA TYR A 84 2.529 -2.413 5.347 1.00 60.40 C ATOM 1342 C TYR A 84 3.351 -1.455 4.479 1.00 14.22 C ATOM 1343 O TYR A 84 4.575 -1.487 4.508 1.00 12.44 O ATOM 1344 CB TYR A 84 2.752 -2.151 6.855 1.00 62.24 C ATOM 1345 CG TYR A 84 1.732 -2.875 7.749 1.00 52.12 C ATOM 1346 CD1 TYR A 84 0.368 -2.587 7.633 1.00 65.32 C ATOM 1347 CD2 TYR A 84 2.113 -3.816 8.704 1.00 74.22 C ATOM 1348 CE1 TYR A 84 -0.568 -3.199 8.431 1.00 13.23 C ATOM 1349 CE2 TYR A 84 1.174 -4.437 9.506 1.00 74.44 C ATOM 1350 CZ TYR A 84 -0.166 -4.120 9.364 1.00 4.01 C ATOM 1351 OH TYR A 84 -1.106 -4.742 10.157 1.00 55.41 O ATOM 0 H TYR A 84 3.840 -4.038 5.314 1.00 13.42 H new ATOM 0 HA TYR A 84 1.470 -2.249 5.148 1.00 60.40 H new ATOM 0 HB2 TYR A 84 3.758 -2.470 7.129 1.00 62.24 H new ATOM 0 HB3 TYR A 84 2.696 -1.079 7.044 1.00 62.24 H new ATOM 0 HD1 TYR A 84 0.043 -1.866 6.898 1.00 65.32 H new ATOM 0 HD2 TYR A 84 3.158 -4.064 8.819 1.00 74.22 H new ATOM 0 HE1 TYR A 84 -1.615 -2.956 8.324 1.00 13.23 H new ATOM 0 HE2 TYR A 84 1.484 -5.166 10.240 1.00 74.44 H new ATOM 0 HH TYR A 84 -1.890 -4.971 9.616 1.00 55.41 H new ATOM 1361 N LEU A 85 2.655 -0.661 3.661 1.00 33.12 N ATOM 1362 CA LEU A 85 3.253 0.310 2.730 1.00 5.33 C ATOM 1363 C LEU A 85 2.737 1.710 3.074 1.00 74.02 C ATOM 1364 O LEU A 85 1.617 1.843 3.543 1.00 3.34 O ATOM 1365 CB LEU A 85 2.834 -0.040 1.278 1.00 71.13 C ATOM 1366 CG LEU A 85 3.074 -1.507 0.802 1.00 0.40 C ATOM 1367 CD1 LEU A 85 2.532 -1.709 -0.628 1.00 4.22 C ATOM 1368 CD2 LEU A 85 4.566 -1.902 0.911 1.00 52.24 C ATOM 0 H LEU A 85 1.636 -0.673 3.624 1.00 33.12 H new ATOM 0 HA LEU A 85 4.339 0.279 2.815 1.00 5.33 H new ATOM 0 HB2 LEU A 85 1.772 0.181 1.170 1.00 71.13 H new ATOM 0 HB3 LEU A 85 3.369 0.627 0.602 1.00 71.13 H new ATOM 0 HG LEU A 85 2.522 -2.173 1.465 1.00 0.40 H new ATOM 0 HD11 LEU A 85 2.709 -2.738 -0.942 1.00 4.22 H new ATOM 0 HD12 LEU A 85 1.462 -1.503 -0.644 1.00 4.22 H new ATOM 0 HD13 LEU A 85 3.042 -1.029 -1.310 1.00 4.22 H new ATOM 0 HD21 LEU A 85 4.696 -2.930 0.571 1.00 52.24 H new ATOM 0 HD22 LEU A 85 5.165 -1.236 0.290 1.00 52.24 H new ATOM 0 HD23 LEU A 85 4.889 -1.819 1.949 1.00 52.24 H new ATOM 1380 N SER A 86 3.521 2.750 2.799 1.00 35.14 N ATOM 1381 CA SER A 86 3.080 4.142 3.000 1.00 53.43 C ATOM 1382 C SER A 86 3.526 5.009 1.824 1.00 74.01 C ATOM 1383 O SER A 86 4.424 4.628 1.058 1.00 1.43 O ATOM 1384 CB SER A 86 3.624 4.723 4.331 1.00 50.21 C ATOM 1385 OG SER A 86 5.032 4.843 4.323 1.00 40.31 O ATOM 0 H SER A 86 4.470 2.662 2.435 1.00 35.14 H new ATOM 0 HA SER A 86 1.991 4.145 3.055 1.00 53.43 H new ATOM 0 HB2 SER A 86 3.178 5.702 4.508 1.00 50.21 H new ATOM 0 HB3 SER A 86 3.320 4.081 5.157 1.00 50.21 H new ATOM 0 HG SER A 86 5.312 5.461 5.030 1.00 40.31 H new ATOM 1391 N ALA A 87 2.875 6.163 1.689 1.00 40.41 N ATOM 1392 CA ALA A 87 3.288 7.239 0.782 1.00 5.45 C ATOM 1393 C ALA A 87 2.988 8.586 1.445 1.00 64.44 C ATOM 1394 O ALA A 87 2.160 8.660 2.358 1.00 15.50 O ATOM 1395 CB ALA A 87 2.558 7.115 -0.562 1.00 54.21 C ATOM 0 H ALA A 87 2.030 6.383 2.216 1.00 40.41 H new ATOM 0 HA ALA A 87 4.358 7.166 0.585 1.00 5.45 H new ATOM 0 HB1 ALA A 87 2.875 7.921 -1.224 1.00 54.21 H new ATOM 0 HB2 ALA A 87 2.797 6.155 -1.019 1.00 54.21 H new ATOM 0 HB3 ALA A 87 1.482 7.182 -0.399 1.00 54.21 H new ATOM 1401 N GLN A 88 3.684 9.630 1.008 1.00 54.33 N ATOM 1402 CA GLN A 88 3.438 11.001 1.466 1.00 33.55 C ATOM 1403 C GLN A 88 3.774 11.924 0.288 1.00 63.33 C ATOM 1404 O GLN A 88 4.918 11.935 -0.171 1.00 73.24 O ATOM 1405 CB GLN A 88 4.294 11.295 2.742 1.00 62.50 C ATOM 1406 CG GLN A 88 3.763 12.410 3.672 1.00 34.44 C ATOM 1407 CD GLN A 88 3.882 13.817 3.100 1.00 72.43 C ATOM 1408 OE1 GLN A 88 2.983 14.307 2.426 1.00 53.44 O ATOM 1409 NE2 GLN A 88 4.991 14.483 3.373 1.00 62.44 N ATOM 0 H GLN A 88 4.437 9.554 0.325 1.00 54.33 H new ATOM 0 HA GLN A 88 2.401 11.162 1.760 1.00 33.55 H new ATOM 0 HB2 GLN A 88 4.375 10.375 3.321 1.00 62.50 H new ATOM 0 HB3 GLN A 88 5.302 11.563 2.425 1.00 62.50 H new ATOM 0 HG2 GLN A 88 2.715 12.210 3.897 1.00 34.44 H new ATOM 0 HG3 GLN A 88 4.306 12.368 4.616 1.00 34.44 H new ATOM 0 HE21 GLN A 88 5.721 14.048 3.937 1.00 62.44 H new ATOM 0 HE22 GLN A 88 5.116 15.432 3.020 1.00 62.44 H new ATOM 1418 N ASP A 89 2.768 12.649 -0.235 1.00 54.43 N ATOM 1419 CA ASP A 89 2.888 13.371 -1.522 1.00 70.42 C ATOM 1420 C ASP A 89 3.092 14.897 -1.316 1.00 2.22 C ATOM 1421 O ASP A 89 3.151 15.386 -0.184 1.00 34.43 O ATOM 1422 CB ASP A 89 1.631 13.082 -2.412 1.00 10.04 C ATOM 1423 CG ASP A 89 0.500 14.106 -2.262 1.00 11.22 C ATOM 1424 OD1 ASP A 89 -0.112 14.183 -1.186 1.00 15.41 O ATOM 1425 OD2 ASP A 89 0.251 14.878 -3.223 1.00 13.24 O ATOM 0 H ASP A 89 1.858 12.752 0.214 1.00 54.43 H new ATOM 0 HA ASP A 89 3.777 13.004 -2.035 1.00 70.42 H new ATOM 0 HB2 ASP A 89 1.940 13.051 -3.457 1.00 10.04 H new ATOM 0 HB3 ASP A 89 1.245 12.093 -2.164 1.00 10.04 H new ATOM 1430 N ASP A 90 3.132 15.636 -2.449 1.00 4.42 N ATOM 1431 CA ASP A 90 3.414 17.085 -2.501 1.00 70.44 C ATOM 1432 C ASP A 90 2.333 17.942 -1.797 1.00 74.20 C ATOM 1433 O ASP A 90 2.654 18.990 -1.221 1.00 0.31 O ATOM 1434 CB ASP A 90 3.544 17.512 -3.993 1.00 63.13 C ATOM 1435 CG ASP A 90 3.798 19.022 -4.192 1.00 13.13 C ATOM 1436 OD1 ASP A 90 4.922 19.482 -3.904 1.00 21.34 O ATOM 1437 OD2 ASP A 90 2.885 19.756 -4.619 1.00 45.03 O ATOM 0 H ASP A 90 2.965 15.231 -3.370 1.00 4.42 H new ATOM 0 HA ASP A 90 4.344 17.262 -1.960 1.00 70.44 H new ATOM 0 HB2 ASP A 90 4.360 16.953 -4.451 1.00 63.13 H new ATOM 0 HB3 ASP A 90 2.632 17.234 -4.521 1.00 63.13 H new ATOM 1442 N THR A 91 1.063 17.480 -1.814 1.00 42.13 N ATOM 1443 CA THR A 91 -0.059 18.217 -1.183 1.00 12.01 C ATOM 1444 C THR A 91 -0.146 17.903 0.326 1.00 24.24 C ATOM 1445 O THR A 91 -0.930 18.523 1.051 1.00 13.44 O ATOM 1446 CB THR A 91 -1.436 17.925 -1.883 1.00 43.04 C ATOM 1447 OG1 THR A 91 -1.830 16.557 -1.685 1.00 35.13 O ATOM 1448 CG2 THR A 91 -1.382 18.216 -3.392 1.00 51.40 C ATOM 0 H THR A 91 0.788 16.603 -2.256 1.00 42.13 H new ATOM 0 HA THR A 91 0.152 19.279 -1.311 1.00 12.01 H new ATOM 0 HB THR A 91 -2.169 18.589 -1.425 1.00 43.04 H new ATOM 0 HG1 THR A 91 -1.296 15.975 -2.266 1.00 35.13 H new ATOM 0 HG21 THR A 91 -2.353 18.002 -3.839 1.00 51.40 H new ATOM 0 HG22 THR A 91 -1.133 19.265 -3.552 1.00 51.40 H new ATOM 0 HG23 THR A 91 -0.622 17.588 -3.857 1.00 51.40 H new ATOM 1456 N GLY A 92 0.676 16.935 0.793 1.00 51.14 N ATOM 1457 CA GLY A 92 0.822 16.650 2.219 1.00 3.21 C ATOM 1458 C GLY A 92 -0.056 15.515 2.726 1.00 52.44 C ATOM 1459 O GLY A 92 -0.289 15.424 3.934 1.00 21.34 O ATOM 0 H GLY A 92 1.246 16.341 0.191 1.00 51.14 H new ATOM 0 HA2 GLY A 92 1.864 16.406 2.424 1.00 3.21 H new ATOM 0 HA3 GLY A 92 0.589 17.553 2.783 1.00 3.21 H new ATOM 1463 N CYS A 93 -0.536 14.647 1.816 1.00 72.30 N ATOM 1464 CA CYS A 93 -1.405 13.506 2.180 1.00 0.33 C ATOM 1465 C CYS A 93 -0.568 12.321 2.691 1.00 42.22 C ATOM 1466 O CYS A 93 0.407 11.933 2.039 1.00 45.55 O ATOM 1467 CB CYS A 93 -2.243 13.054 0.967 1.00 31.42 C ATOM 1468 SG CYS A 93 -3.068 14.397 0.103 1.00 3.11 S ATOM 0 H CYS A 93 -0.337 14.713 0.818 1.00 72.30 H new ATOM 0 HA CYS A 93 -2.073 13.838 2.975 1.00 0.33 H new ATOM 0 HB2 CYS A 93 -1.594 12.530 0.266 1.00 31.42 H new ATOM 0 HB3 CYS A 93 -2.993 12.338 1.304 1.00 31.42 H new ATOM 0 HG CYS A 93 -2.189 15.098 -0.549 1.00 3.11 H new ATOM 1474 N LEU A 94 -0.957 11.755 3.859 1.00 74.43 N ATOM 1475 CA LEU A 94 -0.354 10.518 4.387 1.00 53.24 C ATOM 1476 C LEU A 94 -1.220 9.330 3.913 1.00 42.33 C ATOM 1477 O LEU A 94 -2.382 9.217 4.304 1.00 64.31 O ATOM 1478 CB LEU A 94 -0.236 10.558 5.959 1.00 34.22 C ATOM 1479 CG LEU A 94 0.897 9.676 6.612 1.00 0.24 C ATOM 1480 CD1 LEU A 94 0.632 8.167 6.458 1.00 1.33 C ATOM 1481 CD2 LEU A 94 2.285 10.056 6.045 1.00 41.23 C ATOM 0 H LEU A 94 -1.690 12.142 4.453 1.00 74.43 H new ATOM 0 HA LEU A 94 0.663 10.409 4.010 1.00 53.24 H new ATOM 0 HB2 LEU A 94 -0.077 11.593 6.261 1.00 34.22 H new ATOM 0 HB3 LEU A 94 -1.193 10.247 6.379 1.00 34.22 H new ATOM 0 HG LEU A 94 0.889 9.889 7.681 1.00 0.24 H new ATOM 0 HD11 LEU A 94 1.442 7.606 6.925 1.00 1.33 H new ATOM 0 HD12 LEU A 94 -0.311 7.912 6.941 1.00 1.33 H new ATOM 0 HD13 LEU A 94 0.578 7.913 5.399 1.00 1.33 H new ATOM 0 HD21 LEU A 94 3.050 9.435 6.510 1.00 41.23 H new ATOM 0 HD22 LEU A 94 2.294 9.896 4.967 1.00 41.23 H new ATOM 0 HD23 LEU A 94 2.490 11.105 6.258 1.00 41.23 H new ATOM 1493 N PHE A 95 -0.637 8.463 3.079 1.00 51.24 N ATOM 1494 CA PHE A 95 -1.284 7.251 2.550 1.00 62.12 C ATOM 1495 C PHE A 95 -0.733 6.027 3.279 1.00 52.14 C ATOM 1496 O PHE A 95 0.470 5.940 3.528 1.00 72.34 O ATOM 1497 CB PHE A 95 -1.009 7.091 1.042 1.00 23.14 C ATOM 1498 CG PHE A 95 -1.551 8.218 0.178 1.00 4.32 C ATOM 1499 CD1 PHE A 95 -2.876 8.198 -0.258 1.00 34.35 C ATOM 1500 CD2 PHE A 95 -0.736 9.282 -0.215 1.00 50.33 C ATOM 1501 CE1 PHE A 95 -3.369 9.203 -1.060 1.00 25.15 C ATOM 1502 CE2 PHE A 95 -1.236 10.287 -1.014 1.00 33.22 C ATOM 1503 CZ PHE A 95 -2.553 10.243 -1.437 1.00 4.33 C ATOM 0 H PHE A 95 0.319 8.584 2.744 1.00 51.24 H new ATOM 0 HA PHE A 95 -2.359 7.341 2.706 1.00 62.12 H new ATOM 0 HB2 PHE A 95 0.068 7.018 0.888 1.00 23.14 H new ATOM 0 HB3 PHE A 95 -1.444 6.150 0.704 1.00 23.14 H new ATOM 0 HD1 PHE A 95 -3.523 7.385 0.037 1.00 34.35 H new ATOM 0 HD2 PHE A 95 0.293 9.317 0.110 1.00 50.33 H new ATOM 0 HE1 PHE A 95 -4.396 9.174 -1.393 1.00 25.15 H new ATOM 0 HE2 PHE A 95 -0.601 11.109 -1.310 1.00 33.22 H new ATOM 0 HZ PHE A 95 -2.942 11.030 -2.067 1.00 4.33 H new ATOM 1513 N LEU A 96 -1.629 5.114 3.654 1.00 4.03 N ATOM 1514 CA LEU A 96 -1.278 3.814 4.238 1.00 73.13 C ATOM 1515 C LEU A 96 -1.960 2.693 3.434 1.00 63.14 C ATOM 1516 O LEU A 96 -3.116 2.826 3.031 1.00 44.22 O ATOM 1517 CB LEU A 96 -1.720 3.756 5.729 1.00 23.31 C ATOM 1518 CG LEU A 96 -1.287 4.970 6.637 1.00 21.31 C ATOM 1519 CD1 LEU A 96 -2.373 6.071 6.703 1.00 11.31 C ATOM 1520 CD2 LEU A 96 -0.862 4.519 8.045 1.00 60.12 C ATOM 0 H LEU A 96 -2.635 5.256 3.560 1.00 4.03 H new ATOM 0 HA LEU A 96 -0.197 3.680 4.196 1.00 73.13 H new ATOM 0 HB2 LEU A 96 -2.807 3.677 5.760 1.00 23.31 H new ATOM 0 HB3 LEU A 96 -1.321 2.842 6.168 1.00 23.31 H new ATOM 0 HG LEU A 96 -0.412 5.410 6.159 1.00 21.31 H new ATOM 0 HD11 LEU A 96 -2.028 6.885 7.340 1.00 11.31 H new ATOM 0 HD12 LEU A 96 -2.566 6.452 5.700 1.00 11.31 H new ATOM 0 HD13 LEU A 96 -3.291 5.652 7.115 1.00 11.31 H new ATOM 0 HD21 LEU A 96 -0.572 5.389 8.634 1.00 60.12 H new ATOM 0 HD22 LEU A 96 -1.695 4.012 8.532 1.00 60.12 H new ATOM 0 HD23 LEU A 96 -0.017 3.835 7.968 1.00 60.12 H new ATOM 1532 N THR A 97 -1.219 1.616 3.164 1.00 53.14 N ATOM 1533 CA THR A 97 -1.734 0.429 2.469 1.00 53.34 C ATOM 1534 C THR A 97 -1.341 -0.850 3.232 1.00 23.12 C ATOM 1535 O THR A 97 -0.284 -0.908 3.866 1.00 25.15 O ATOM 1536 CB THR A 97 -1.194 0.367 0.997 1.00 21.44 C ATOM 1537 OG1 THR A 97 -1.417 1.625 0.352 1.00 1.02 O ATOM 1538 CG2 THR A 97 -1.865 -0.741 0.162 1.00 14.24 C ATOM 0 H THR A 97 -0.235 1.540 3.423 1.00 53.14 H new ATOM 0 HA THR A 97 -2.821 0.500 2.434 1.00 53.34 H new ATOM 0 HB THR A 97 -0.130 0.140 1.059 1.00 21.44 H new ATOM 0 HG1 THR A 97 -1.078 1.586 -0.567 1.00 1.02 H new ATOM 0 HG21 THR A 97 -1.452 -0.737 -0.847 1.00 14.24 H new ATOM 0 HG22 THR A 97 -1.679 -1.710 0.626 1.00 14.24 H new ATOM 0 HG23 THR A 97 -2.939 -0.561 0.115 1.00 14.24 H new ATOM 1546 N GLU A 98 -2.226 -1.854 3.183 1.00 13.21 N ATOM 1547 CA GLU A 98 -1.962 -3.205 3.679 1.00 75.42 C ATOM 1548 C GLU A 98 -2.301 -4.200 2.560 1.00 3.23 C ATOM 1549 O GLU A 98 -3.446 -4.256 2.105 1.00 72.13 O ATOM 1550 CB GLU A 98 -2.796 -3.497 4.945 1.00 22.21 C ATOM 1551 CG GLU A 98 -2.573 -4.892 5.561 1.00 62.33 C ATOM 1552 CD GLU A 98 -3.554 -5.194 6.696 1.00 31.55 C ATOM 1553 OE1 GLU A 98 -4.724 -5.506 6.400 1.00 11.05 O ATOM 1554 OE2 GLU A 98 -3.169 -5.144 7.884 1.00 53.54 O ATOM 0 H GLU A 98 -3.161 -1.745 2.790 1.00 13.21 H new ATOM 0 HA GLU A 98 -0.912 -3.301 3.955 1.00 75.42 H new ATOM 0 HB2 GLU A 98 -2.565 -2.743 5.697 1.00 22.21 H new ATOM 0 HB3 GLU A 98 -3.852 -3.389 4.699 1.00 22.21 H new ATOM 0 HG2 GLU A 98 -2.677 -5.650 4.784 1.00 62.33 H new ATOM 0 HG3 GLU A 98 -1.553 -4.960 5.939 1.00 62.33 H new ATOM 1561 N LEU A 99 -1.295 -4.961 2.100 1.00 41.24 N ATOM 1562 CA LEU A 99 -1.477 -6.009 1.081 1.00 32.00 C ATOM 1563 C LEU A 99 -1.537 -7.358 1.794 1.00 54.14 C ATOM 1564 O LEU A 99 -0.649 -7.668 2.595 1.00 52.41 O ATOM 1565 CB LEU A 99 -0.313 -5.997 0.051 1.00 41.42 C ATOM 1566 CG LEU A 99 -0.115 -4.681 -0.766 1.00 21.43 C ATOM 1567 CD1 LEU A 99 1.030 -4.838 -1.785 1.00 74.24 C ATOM 1568 CD2 LEU A 99 -1.424 -4.232 -1.460 1.00 52.02 C ATOM 0 H LEU A 99 -0.332 -4.868 2.424 1.00 41.24 H new ATOM 0 HA LEU A 99 -2.400 -5.827 0.531 1.00 32.00 H new ATOM 0 HB2 LEU A 99 0.614 -6.211 0.583 1.00 41.42 H new ATOM 0 HB3 LEU A 99 -0.472 -6.814 -0.653 1.00 41.42 H new ATOM 0 HG LEU A 99 0.160 -3.895 -0.062 1.00 21.43 H new ATOM 0 HD11 LEU A 99 1.150 -3.909 -2.343 1.00 74.24 H new ATOM 0 HD12 LEU A 99 1.956 -5.068 -1.259 1.00 74.24 H new ATOM 0 HD13 LEU A 99 0.794 -5.648 -2.475 1.00 74.24 H new ATOM 0 HD21 LEU A 99 -1.243 -3.313 -2.018 1.00 52.02 H new ATOM 0 HD22 LEU A 99 -1.759 -5.012 -2.144 1.00 52.02 H new ATOM 0 HD23 LEU A 99 -2.192 -4.055 -0.708 1.00 52.02 H new ATOM 1580 N LEU A 100 -2.602 -8.131 1.543 1.00 11.52 N ATOM 1581 CA LEU A 100 -2.800 -9.443 2.170 1.00 55.43 C ATOM 1582 C LEU A 100 -3.051 -10.499 1.079 1.00 73.33 C ATOM 1583 O LEU A 100 -4.012 -10.396 0.324 1.00 73.14 O ATOM 1584 CB LEU A 100 -3.974 -9.392 3.190 1.00 51.13 C ATOM 1585 CG LEU A 100 -4.112 -10.641 4.130 1.00 60.01 C ATOM 1586 CD1 LEU A 100 -2.884 -10.784 5.055 1.00 72.34 C ATOM 1587 CD2 LEU A 100 -5.432 -10.604 4.937 1.00 4.45 C ATOM 0 H LEU A 100 -3.348 -7.865 0.901 1.00 11.52 H new ATOM 0 HA LEU A 100 -1.901 -9.719 2.722 1.00 55.43 H new ATOM 0 HB2 LEU A 100 -3.854 -8.504 3.811 1.00 51.13 H new ATOM 0 HB3 LEU A 100 -4.906 -9.271 2.638 1.00 51.13 H new ATOM 0 HG LEU A 100 -4.149 -11.526 3.495 1.00 60.01 H new ATOM 0 HD11 LEU A 100 -3.010 -11.658 5.694 1.00 72.34 H new ATOM 0 HD12 LEU A 100 -1.985 -10.903 4.450 1.00 72.34 H new ATOM 0 HD13 LEU A 100 -2.789 -9.892 5.675 1.00 72.34 H new ATOM 0 HD21 LEU A 100 -5.492 -11.485 5.576 1.00 4.45 H new ATOM 0 HD22 LEU A 100 -5.456 -9.705 5.554 1.00 4.45 H new ATOM 0 HD23 LEU A 100 -6.278 -10.596 4.250 1.00 4.45 H new ATOM 1599 N LEU A 101 -2.177 -11.509 1.001 1.00 31.33 N ATOM 1600 CA LEU A 101 -2.243 -12.572 -0.010 1.00 24.31 C ATOM 1601 C LEU A 101 -2.737 -13.863 0.649 1.00 14.34 C ATOM 1602 O LEU A 101 -2.093 -14.376 1.573 1.00 33.03 O ATOM 1603 CB LEU A 101 -0.846 -12.782 -0.643 1.00 53.13 C ATOM 1604 CG LEU A 101 -0.747 -13.886 -1.745 1.00 32.22 C ATOM 1605 CD1 LEU A 101 -1.706 -13.600 -2.918 1.00 50.43 C ATOM 1606 CD2 LEU A 101 0.705 -14.056 -2.228 1.00 4.41 C ATOM 0 H LEU A 101 -1.394 -11.613 1.646 1.00 31.33 H new ATOM 0 HA LEU A 101 -2.938 -12.288 -0.800 1.00 24.31 H new ATOM 0 HB2 LEU A 101 -0.520 -11.836 -1.075 1.00 53.13 H new ATOM 0 HB3 LEU A 101 -0.143 -13.028 0.153 1.00 53.13 H new ATOM 0 HG LEU A 101 -1.059 -14.830 -1.299 1.00 32.22 H new ATOM 0 HD11 LEU A 101 -1.611 -14.387 -3.666 1.00 50.43 H new ATOM 0 HD12 LEU A 101 -2.732 -13.570 -2.550 1.00 50.43 H new ATOM 0 HD13 LEU A 101 -1.454 -12.640 -3.368 1.00 50.43 H new ATOM 0 HD21 LEU A 101 0.745 -14.830 -2.994 1.00 4.41 H new ATOM 0 HD22 LEU A 101 1.063 -13.114 -2.644 1.00 4.41 H new ATOM 0 HD23 LEU A 101 1.337 -14.344 -1.388 1.00 4.41 H new ATOM 1618 N GLU A 102 -3.870 -14.387 0.159 1.00 61.02 N ATOM 1619 CA GLU A 102 -4.550 -15.537 0.773 1.00 21.34 C ATOM 1620 C GLU A 102 -3.892 -16.886 0.414 1.00 12.45 C ATOM 1621 O GLU A 102 -3.483 -17.090 -0.741 1.00 54.32 O ATOM 1622 CB GLU A 102 -6.046 -15.535 0.373 1.00 24.24 C ATOM 1623 CG GLU A 102 -6.861 -14.409 1.032 1.00 41.11 C ATOM 1624 CD GLU A 102 -6.853 -14.489 2.574 1.00 23.32 C ATOM 1625 OE1 GLU A 102 -7.696 -15.213 3.142 1.00 72.24 O ATOM 1626 OE2 GLU A 102 -6.015 -13.826 3.227 1.00 33.43 O ATOM 0 H GLU A 102 -4.340 -14.027 -0.672 1.00 61.02 H new ATOM 0 HA GLU A 102 -4.458 -15.429 1.854 1.00 21.34 H new ATOM 0 HB2 GLU A 102 -6.123 -15.441 -0.710 1.00 24.24 H new ATOM 0 HB3 GLU A 102 -6.486 -16.495 0.642 1.00 24.24 H new ATOM 0 HG2 GLU A 102 -6.458 -13.445 0.721 1.00 41.11 H new ATOM 0 HG3 GLU A 102 -7.890 -14.455 0.676 1.00 41.11 H new ATOM 1633 N PRO A 103 -3.765 -17.822 1.427 1.00 22.32 N ATOM 1634 CA PRO A 103 -3.304 -19.212 1.194 1.00 33.03 C ATOM 1635 C PRO A 103 -4.280 -20.031 0.325 1.00 75.43 C ATOM 1636 O PRO A 103 -3.837 -20.784 -0.549 1.00 1.42 O ATOM 1637 CB PRO A 103 -3.175 -19.805 2.626 1.00 24.14 C ATOM 1638 CG PRO A 103 -4.059 -18.951 3.486 1.00 5.24 C ATOM 1639 CD PRO A 103 -4.010 -17.567 2.878 1.00 61.23 C ATOM 0 HA PRO A 103 -2.369 -19.239 0.635 1.00 33.03 H new ATOM 0 HB2 PRO A 103 -3.491 -20.848 2.650 1.00 24.14 H new ATOM 0 HB3 PRO A 103 -2.142 -19.776 2.973 1.00 24.14 H new ATOM 0 HG2 PRO A 103 -5.079 -19.335 3.502 1.00 5.24 H new ATOM 0 HG3 PRO A 103 -3.707 -18.938 4.518 1.00 5.24 H new ATOM 0 HD2 PRO A 103 -4.944 -17.027 3.037 1.00 61.23 H new ATOM 0 HD3 PRO A 103 -3.215 -16.965 3.318 1.00 61.23 H new ATOM 1647 N GLY A 104 -5.599 -19.860 0.564 1.00 5.45 N ATOM 1648 CA GLY A 104 -6.636 -20.579 -0.182 1.00 14.12 C ATOM 1649 C GLY A 104 -6.645 -20.200 -1.665 1.00 4.35 C ATOM 1650 O GLY A 104 -5.919 -20.801 -2.466 1.00 35.21 O ATOM 0 H GLY A 104 -5.964 -19.225 1.274 1.00 5.45 H new ATOM 0 HA2 GLY A 104 -6.475 -21.652 -0.083 1.00 14.12 H new ATOM 0 HA3 GLY A 104 -7.612 -20.362 0.253 1.00 14.12 H new ATOM 1654 N ASN A 105 -7.452 -19.187 -2.021 1.00 11.11 N ATOM 1655 CA ASN A 105 -7.504 -18.640 -3.386 1.00 13.10 C ATOM 1656 C ASN A 105 -6.491 -17.488 -3.505 1.00 32.45 C ATOM 1657 O ASN A 105 -6.551 -16.502 -2.744 1.00 30.43 O ATOM 1658 CB ASN A 105 -8.945 -18.163 -3.738 1.00 51.23 C ATOM 1659 CG ASN A 105 -9.985 -19.290 -3.703 1.00 70.14 C ATOM 1660 OD1 ASN A 105 -9.679 -20.461 -3.949 1.00 70.41 O ATOM 1661 ND2 ASN A 105 -11.222 -18.946 -3.406 1.00 73.54 N ATOM 0 H ASN A 105 -8.087 -18.724 -1.370 1.00 11.11 H new ATOM 0 HA ASN A 105 -7.240 -19.421 -4.100 1.00 13.10 H new ATOM 0 HB2 ASN A 105 -9.242 -17.382 -3.038 1.00 51.23 H new ATOM 0 HB3 ASN A 105 -8.939 -17.715 -4.732 1.00 51.23 H new ATOM 0 HD21 ASN A 105 -11.955 -19.655 -3.375 1.00 73.54 H new ATOM 0 HD22 ASN A 105 -11.446 -17.971 -3.207 1.00 73.54 H new ATOM 1668 N SER A 106 -5.544 -17.638 -4.441 1.00 13.33 N ATOM 1669 CA SER A 106 -4.490 -16.650 -4.695 1.00 33.33 C ATOM 1670 C SER A 106 -5.101 -15.307 -5.150 1.00 10.34 C ATOM 1671 O SER A 106 -5.418 -15.118 -6.329 1.00 55.20 O ATOM 1672 CB SER A 106 -3.496 -17.211 -5.739 1.00 61.12 C ATOM 1673 OG SER A 106 -4.182 -17.700 -6.879 1.00 55.05 O ATOM 0 H SER A 106 -5.489 -18.456 -5.048 1.00 13.33 H new ATOM 0 HA SER A 106 -3.943 -16.457 -3.772 1.00 33.33 H new ATOM 0 HB2 SER A 106 -2.797 -16.430 -6.038 1.00 61.12 H new ATOM 0 HB3 SER A 106 -2.907 -18.012 -5.293 1.00 61.12 H new ATOM 0 HG SER A 106 -4.102 -17.054 -7.611 1.00 55.05 H new ATOM 1679 N GLU A 107 -5.336 -14.427 -4.176 1.00 23.34 N ATOM 1680 CA GLU A 107 -5.830 -13.055 -4.402 1.00 54.23 C ATOM 1681 C GLU A 107 -5.049 -12.078 -3.516 1.00 52.43 C ATOM 1682 O GLU A 107 -4.701 -12.416 -2.374 1.00 65.40 O ATOM 1683 CB GLU A 107 -7.351 -12.938 -4.106 1.00 23.24 C ATOM 1684 CG GLU A 107 -8.268 -13.787 -5.013 1.00 24.04 C ATOM 1685 CD GLU A 107 -9.762 -13.526 -4.758 1.00 75.44 C ATOM 1686 OE1 GLU A 107 -10.232 -13.801 -3.638 1.00 23.44 O ATOM 1687 OE2 GLU A 107 -10.469 -13.045 -5.672 1.00 75.35 O ATOM 0 H GLU A 107 -5.188 -14.644 -3.190 1.00 23.34 H new ATOM 0 HA GLU A 107 -5.677 -12.808 -5.452 1.00 54.23 H new ATOM 0 HB2 GLU A 107 -7.526 -13.226 -3.069 1.00 23.24 H new ATOM 0 HB3 GLU A 107 -7.643 -11.892 -4.200 1.00 23.24 H new ATOM 0 HG2 GLU A 107 -8.039 -13.572 -6.057 1.00 24.04 H new ATOM 0 HG3 GLU A 107 -8.055 -14.844 -4.851 1.00 24.04 H new ATOM 1694 N MET A 108 -4.812 -10.857 -4.039 1.00 1.43 N ATOM 1695 CA MET A 108 -4.079 -9.798 -3.330 1.00 54.24 C ATOM 1696 C MET A 108 -5.104 -8.751 -2.879 1.00 44.54 C ATOM 1697 O MET A 108 -5.760 -8.116 -3.712 1.00 64.04 O ATOM 1698 CB MET A 108 -3.005 -9.128 -4.232 1.00 15.22 C ATOM 1699 CG MET A 108 -2.124 -8.096 -3.486 1.00 34.41 C ATOM 1700 SD MET A 108 -1.154 -8.837 -2.151 1.00 20.04 S ATOM 1701 CE MET A 108 -0.061 -9.935 -3.054 1.00 42.22 C ATOM 0 H MET A 108 -5.127 -10.581 -4.969 1.00 1.43 H new ATOM 0 HA MET A 108 -3.553 -10.233 -2.481 1.00 54.24 H new ATOM 0 HB2 MET A 108 -2.364 -9.902 -4.655 1.00 15.22 H new ATOM 0 HB3 MET A 108 -3.501 -8.633 -5.067 1.00 15.22 H new ATOM 0 HG2 MET A 108 -1.450 -7.619 -4.197 1.00 34.41 H new ATOM 0 HG3 MET A 108 -2.760 -7.312 -3.075 1.00 34.41 H new ATOM 0 HE1 MET A 108 0.639 -10.402 -2.361 1.00 42.22 H new ATOM 0 HE2 MET A 108 -0.649 -10.707 -3.551 1.00 42.22 H new ATOM 0 HE3 MET A 108 0.493 -9.365 -3.800 1.00 42.22 H new ATOM 1711 N GLN A 109 -5.219 -8.580 -1.567 1.00 32.05 N ATOM 1712 CA GLN A 109 -6.233 -7.743 -0.928 1.00 50.33 C ATOM 1713 C GLN A 109 -5.586 -6.423 -0.541 1.00 73.13 C ATOM 1714 O GLN A 109 -4.665 -6.391 0.280 1.00 43.42 O ATOM 1715 CB GLN A 109 -6.774 -8.471 0.326 1.00 33.30 C ATOM 1716 CG GLN A 109 -7.259 -9.903 0.058 1.00 44.54 C ATOM 1717 CD GLN A 109 -7.507 -10.691 1.333 1.00 53.04 C ATOM 1718 OE1 GLN A 109 -8.613 -10.731 1.862 1.00 43.32 O ATOM 1719 NE2 GLN A 109 -6.466 -11.304 1.849 1.00 43.34 N ATOM 0 H GLN A 109 -4.594 -9.031 -0.899 1.00 32.05 H new ATOM 0 HA GLN A 109 -7.065 -7.554 -1.607 1.00 50.33 H new ATOM 0 HB2 GLN A 109 -5.990 -8.500 1.083 1.00 33.30 H new ATOM 0 HB3 GLN A 109 -7.598 -7.892 0.742 1.00 33.30 H new ATOM 0 HG2 GLN A 109 -8.179 -9.867 -0.525 1.00 44.54 H new ATOM 0 HG3 GLN A 109 -6.518 -10.425 -0.548 1.00 44.54 H new ATOM 0 HE21 GLN A 109 -5.560 -11.250 1.383 1.00 43.34 H new ATOM 0 HE22 GLN A 109 -6.564 -11.834 2.715 1.00 43.34 H new ATOM 1728 N ILE A 110 -6.070 -5.343 -1.143 1.00 12.31 N ATOM 1729 CA ILE A 110 -5.535 -4.002 -0.947 1.00 22.41 C ATOM 1730 C ILE A 110 -6.449 -3.259 0.026 1.00 3.55 C ATOM 1731 O ILE A 110 -7.628 -3.057 -0.269 1.00 32.52 O ATOM 1732 CB ILE A 110 -5.455 -3.200 -2.299 1.00 72.43 C ATOM 1733 CG1 ILE A 110 -4.682 -4.000 -3.396 1.00 3.34 C ATOM 1734 CG2 ILE A 110 -4.819 -1.811 -2.072 1.00 1.44 C ATOM 1735 CD1 ILE A 110 -4.557 -3.287 -4.735 1.00 13.42 C ATOM 0 H ILE A 110 -6.857 -5.375 -1.791 1.00 12.31 H new ATOM 0 HA ILE A 110 -4.522 -4.086 -0.552 1.00 22.41 H new ATOM 0 HB ILE A 110 -6.473 -3.055 -2.660 1.00 72.43 H new ATOM 0 HG12 ILE A 110 -3.682 -4.225 -3.025 1.00 3.34 H new ATOM 0 HG13 ILE A 110 -5.186 -4.954 -3.553 1.00 3.34 H new ATOM 0 HG21 ILE A 110 -4.773 -1.273 -3.019 1.00 1.44 H new ATOM 0 HG22 ILE A 110 -5.423 -1.246 -1.362 1.00 1.44 H new ATOM 0 HG23 ILE A 110 -3.811 -1.933 -1.674 1.00 1.44 H new ATOM 0 HD11 ILE A 110 -4.006 -3.918 -5.433 1.00 13.42 H new ATOM 0 HD12 ILE A 110 -5.551 -3.086 -5.134 1.00 13.42 H new ATOM 0 HD13 ILE A 110 -4.024 -2.346 -4.598 1.00 13.42 H new ATOM 1747 N SER A 111 -5.918 -2.885 1.186 1.00 14.34 N ATOM 1748 CA SER A 111 -6.604 -2.011 2.134 1.00 4.04 C ATOM 1749 C SER A 111 -5.920 -0.645 2.071 1.00 13.24 C ATOM 1750 O SER A 111 -4.802 -0.485 2.559 1.00 10.40 O ATOM 1751 CB SER A 111 -6.553 -2.623 3.555 1.00 55.11 C ATOM 1752 OG SER A 111 -7.133 -3.913 3.561 1.00 64.44 O ATOM 0 H SER A 111 -4.993 -3.182 1.498 1.00 14.34 H new ATOM 0 HA SER A 111 -7.658 -1.900 1.881 1.00 4.04 H new ATOM 0 HB2 SER A 111 -5.519 -2.681 3.895 1.00 55.11 H new ATOM 0 HB3 SER A 111 -7.083 -1.977 4.255 1.00 55.11 H new ATOM 0 HG SER A 111 -7.091 -4.286 4.466 1.00 64.44 H new ATOM 1758 N VAL A 112 -6.588 0.326 1.434 1.00 22.52 N ATOM 1759 CA VAL A 112 -6.106 1.704 1.323 1.00 1.40 C ATOM 1760 C VAL A 112 -6.815 2.518 2.397 1.00 12.52 C ATOM 1761 O VAL A 112 -8.037 2.549 2.453 1.00 23.42 O ATOM 1762 CB VAL A 112 -6.385 2.364 -0.082 1.00 5.21 C ATOM 1763 CG1 VAL A 112 -5.768 3.790 -0.153 1.00 64.13 C ATOM 1764 CG2 VAL A 112 -5.873 1.481 -1.239 1.00 20.03 C ATOM 0 H VAL A 112 -7.487 0.173 0.978 1.00 22.52 H new ATOM 0 HA VAL A 112 -5.023 1.691 1.445 1.00 1.40 H new ATOM 0 HB VAL A 112 -7.465 2.452 -0.196 1.00 5.21 H new ATOM 0 HG11 VAL A 112 -5.972 4.227 -1.131 1.00 64.13 H new ATOM 0 HG12 VAL A 112 -6.208 4.416 0.623 1.00 64.13 H new ATOM 0 HG13 VAL A 112 -4.690 3.728 -0.001 1.00 64.13 H new ATOM 0 HG21 VAL A 112 -6.084 1.970 -2.190 1.00 20.03 H new ATOM 0 HG22 VAL A 112 -4.798 1.334 -1.137 1.00 20.03 H new ATOM 0 HG23 VAL A 112 -6.375 0.514 -1.209 1.00 20.03 H new ATOM 1774 N LYS A 113 -6.035 3.120 3.259 1.00 14.22 N ATOM 1775 CA LYS A 113 -6.486 3.950 4.360 1.00 51.15 C ATOM 1776 C LYS A 113 -5.566 5.153 4.400 1.00 54.21 C ATOM 1777 O LYS A 113 -4.360 4.980 4.354 1.00 52.21 O ATOM 1778 CB LYS A 113 -6.382 3.123 5.657 1.00 74.45 C ATOM 1779 CG LYS A 113 -6.613 3.886 6.965 1.00 75.14 C ATOM 1780 CD LYS A 113 -6.403 2.985 8.199 1.00 64.23 C ATOM 1781 CE LYS A 113 -7.321 1.751 8.215 1.00 64.10 C ATOM 1782 NZ LYS A 113 -7.173 0.964 9.457 1.00 10.13 N ATOM 0 H LYS A 113 -5.019 3.044 3.214 1.00 14.22 H new ATOM 0 HA LYS A 113 -7.519 4.280 4.246 1.00 51.15 H new ATOM 0 HB2 LYS A 113 -7.104 2.309 5.603 1.00 74.45 H new ATOM 0 HB3 LYS A 113 -5.392 2.669 5.695 1.00 74.45 H new ATOM 0 HG2 LYS A 113 -5.932 4.736 7.015 1.00 75.14 H new ATOM 0 HG3 LYS A 113 -7.626 4.288 6.977 1.00 75.14 H new ATOM 0 HD2 LYS A 113 -5.364 2.657 8.228 1.00 64.23 H new ATOM 0 HD3 LYS A 113 -6.577 3.571 9.102 1.00 64.23 H new ATOM 0 HE2 LYS A 113 -8.358 2.070 8.110 1.00 64.10 H new ATOM 0 HE3 LYS A 113 -7.093 1.119 7.357 1.00 64.10 H new ATOM 0 HZ1 LYS A 113 -8.011 0.363 9.589 1.00 10.13 H new ATOM 0 HZ2 LYS A 113 -6.325 0.366 9.390 1.00 10.13 H new ATOM 0 HZ3 LYS A 113 -7.079 1.609 10.267 1.00 10.13 H new ATOM 1796 N GLN A 114 -6.104 6.357 4.489 1.00 34.11 N ATOM 1797 CA GLN A 114 -5.289 7.577 4.435 1.00 15.50 C ATOM 1798 C GLN A 114 -5.821 8.593 5.434 1.00 23.30 C ATOM 1799 O GLN A 114 -6.957 8.473 5.909 1.00 54.43 O ATOM 1800 CB GLN A 114 -5.225 8.136 2.983 1.00 30.12 C ATOM 1801 CG GLN A 114 -6.587 8.405 2.318 1.00 75.11 C ATOM 1802 CD GLN A 114 -6.463 8.751 0.825 1.00 13.13 C ATOM 1803 OE1 GLN A 114 -6.489 7.870 -0.033 1.00 34.43 O ATOM 1804 NE2 GLN A 114 -6.313 10.033 0.504 1.00 62.04 N ATOM 0 H GLN A 114 -7.104 6.525 4.599 1.00 34.11 H new ATOM 0 HA GLN A 114 -4.263 7.344 4.719 1.00 15.50 H new ATOM 0 HB2 GLN A 114 -4.656 9.065 2.994 1.00 30.12 H new ATOM 0 HB3 GLN A 114 -4.671 7.430 2.364 1.00 30.12 H new ATOM 0 HG2 GLN A 114 -7.221 7.526 2.431 1.00 75.11 H new ATOM 0 HG3 GLN A 114 -7.084 9.225 2.836 1.00 75.11 H new ATOM 0 HE21 GLN A 114 -6.295 10.743 1.236 1.00 62.04 H new ATOM 0 HE22 GLN A 114 -6.216 10.306 -0.474 1.00 62.04 H new ATOM 1813 N ASN A 115 -4.963 9.568 5.756 1.00 34.32 N ATOM 1814 CA ASN A 115 -5.215 10.593 6.776 1.00 74.44 C ATOM 1815 C ASN A 115 -6.515 11.373 6.479 1.00 21.21 C ATOM 1816 O ASN A 115 -7.383 11.508 7.351 1.00 73.51 O ATOM 1817 CB ASN A 115 -3.982 11.527 6.849 1.00 44.25 C ATOM 1818 CG ASN A 115 -4.166 12.728 7.772 1.00 61.44 C ATOM 1819 OD1 ASN A 115 -4.557 13.812 7.338 1.00 32.33 O ATOM 1820 ND2 ASN A 115 -3.892 12.550 9.041 1.00 12.34 N ATOM 0 H ASN A 115 -4.054 9.669 5.305 1.00 34.32 H new ATOM 0 HA ASN A 115 -5.361 10.119 7.747 1.00 74.44 H new ATOM 0 HB2 ASN A 115 -3.122 10.950 7.188 1.00 44.25 H new ATOM 0 HB3 ASN A 115 -3.750 11.885 5.846 1.00 44.25 H new ATOM 0 HD21 ASN A 115 -4.001 13.321 9.699 1.00 12.34 H new ATOM 0 HD22 ASN A 115 -3.570 11.640 9.370 1.00 12.34 H new ATOM 1827 N GLU A 116 -6.630 11.844 5.232 1.00 5.41 N ATOM 1828 CA GLU A 116 -7.808 12.555 4.700 1.00 21.24 C ATOM 1829 C GLU A 116 -8.051 12.043 3.273 1.00 62.43 C ATOM 1830 O GLU A 116 -7.218 12.260 2.385 1.00 71.31 O ATOM 1831 CB GLU A 116 -7.586 14.101 4.701 1.00 41.42 C ATOM 1832 CG GLU A 116 -7.473 14.727 6.110 1.00 2.34 C ATOM 1833 CD GLU A 116 -7.189 16.242 6.104 1.00 53.34 C ATOM 1834 OE1 GLU A 116 -6.003 16.632 6.050 1.00 2.20 O ATOM 1835 OE2 GLU A 116 -8.147 17.048 6.170 1.00 61.34 O ATOM 0 H GLU A 116 -5.886 11.740 4.541 1.00 5.41 H new ATOM 0 HA GLU A 116 -8.676 12.361 5.330 1.00 21.24 H new ATOM 0 HB2 GLU A 116 -6.677 14.326 4.142 1.00 41.42 H new ATOM 0 HB3 GLU A 116 -8.412 14.575 4.171 1.00 41.42 H new ATOM 0 HG2 GLU A 116 -8.400 14.544 6.653 1.00 2.34 H new ATOM 0 HG3 GLU A 116 -6.678 14.221 6.658 1.00 2.34 H new ATOM 1842 N ALA A 117 -9.162 11.316 3.077 1.00 2.34 N ATOM 1843 CA ALA A 117 -9.477 10.668 1.795 1.00 73.12 C ATOM 1844 C ALA A 117 -10.195 11.644 0.856 1.00 24.02 C ATOM 1845 O ALA A 117 -11.317 12.080 1.140 1.00 43.25 O ATOM 1846 CB ALA A 117 -10.327 9.408 2.043 1.00 34.04 C ATOM 0 H ALA A 117 -9.865 11.161 3.800 1.00 2.34 H new ATOM 0 HA ALA A 117 -8.547 10.369 1.310 1.00 73.12 H new ATOM 0 HB1 ALA A 117 -10.558 8.931 1.090 1.00 34.04 H new ATOM 0 HB2 ALA A 117 -9.771 8.712 2.672 1.00 34.04 H new ATOM 0 HB3 ALA A 117 -11.254 9.687 2.543 1.00 34.04 H new ATOM 1852 N ARG A 118 -9.532 11.979 -0.262 1.00 10.44 N ATOM 1853 CA ARG A 118 -10.132 12.748 -1.360 1.00 44.55 C ATOM 1854 C ARG A 118 -10.411 11.778 -2.507 1.00 71.00 C ATOM 1855 O ARG A 118 -9.617 10.874 -2.728 1.00 34.35 O ATOM 1856 CB ARG A 118 -9.185 13.891 -1.809 1.00 62.41 C ATOM 1857 CG ARG A 118 -9.683 14.714 -3.017 1.00 1.24 C ATOM 1858 CD ARG A 118 -8.706 15.817 -3.423 1.00 3.15 C ATOM 1859 NE ARG A 118 -9.189 16.602 -4.570 1.00 40.02 N ATOM 1860 CZ ARG A 118 -8.601 17.713 -5.040 1.00 34.20 C ATOM 1861 NH1 ARG A 118 -7.498 18.204 -4.477 1.00 33.21 N ATOM 1862 NH2 ARG A 118 -9.120 18.332 -6.081 1.00 75.42 N ATOM 0 H ARG A 118 -8.559 11.722 -0.429 1.00 10.44 H new ATOM 0 HA ARG A 118 -11.061 13.216 -1.035 1.00 44.55 H new ATOM 0 HB2 ARG A 118 -9.030 14.566 -0.967 1.00 62.41 H new ATOM 0 HB3 ARG A 118 -8.214 13.462 -2.056 1.00 62.41 H new ATOM 0 HG2 ARG A 118 -9.844 14.047 -3.864 1.00 1.24 H new ATOM 0 HG3 ARG A 118 -10.648 15.160 -2.775 1.00 1.24 H new ATOM 0 HD2 ARG A 118 -8.541 16.482 -2.575 1.00 3.15 H new ATOM 0 HD3 ARG A 118 -7.743 15.372 -3.671 1.00 3.15 H new ATOM 0 HE ARG A 118 -10.033 16.278 -5.043 1.00 40.02 H new ATOM 0 HH11 ARG A 118 -7.084 17.734 -3.672 1.00 33.21 H new ATOM 0 HH12 ARG A 118 -7.068 19.050 -4.851 1.00 33.21 H new ATOM 0 HH21 ARG A 118 -9.963 17.966 -6.524 1.00 75.42 H new ATOM 0 HH22 ARG A 118 -8.679 19.177 -6.444 1.00 75.42 H new ATOM 1876 N THR A 119 -11.539 11.968 -3.213 1.00 64.43 N ATOM 1877 CA THR A 119 -11.971 11.081 -4.311 1.00 45.22 C ATOM 1878 C THR A 119 -10.864 10.941 -5.385 1.00 24.12 C ATOM 1879 O THR A 119 -10.520 9.831 -5.793 1.00 52.10 O ATOM 1880 CB THR A 119 -13.295 11.629 -4.946 1.00 31.12 C ATOM 1881 OG1 THR A 119 -14.284 11.813 -3.916 1.00 72.43 O ATOM 1882 CG2 THR A 119 -13.857 10.694 -6.030 1.00 34.41 C ATOM 0 H THR A 119 -12.180 12.743 -3.039 1.00 64.43 H new ATOM 0 HA THR A 119 -12.159 10.088 -3.902 1.00 45.22 H new ATOM 0 HB THR A 119 -13.057 12.580 -5.422 1.00 31.12 H new ATOM 0 HG1 THR A 119 -15.111 12.157 -4.314 1.00 72.43 H new ATOM 0 HG21 THR A 119 -14.774 11.119 -6.438 1.00 34.41 H new ATOM 0 HG22 THR A 119 -13.124 10.580 -6.828 1.00 34.41 H new ATOM 0 HG23 THR A 119 -14.072 9.719 -5.593 1.00 34.41 H new ATOM 1890 N GLU A 120 -10.286 12.089 -5.775 1.00 55.40 N ATOM 1891 CA GLU A 120 -9.217 12.169 -6.783 1.00 45.52 C ATOM 1892 C GLU A 120 -7.928 11.469 -6.301 1.00 11.10 C ATOM 1893 O GLU A 120 -7.400 10.607 -7.003 1.00 53.10 O ATOM 1894 CB GLU A 120 -8.938 13.653 -7.121 1.00 51.24 C ATOM 1895 CG GLU A 120 -7.811 13.881 -8.150 1.00 55.42 C ATOM 1896 CD GLU A 120 -7.529 15.361 -8.418 1.00 43.10 C ATOM 1897 OE1 GLU A 120 -7.013 16.040 -7.506 1.00 42.20 O ATOM 1898 OE2 GLU A 120 -7.832 15.864 -9.526 1.00 31.12 O ATOM 0 H GLU A 120 -10.551 12.998 -5.395 1.00 55.40 H new ATOM 0 HA GLU A 120 -9.550 11.649 -7.681 1.00 45.52 H new ATOM 0 HB2 GLU A 120 -9.855 14.103 -7.502 1.00 51.24 H new ATOM 0 HB3 GLU A 120 -8.683 14.179 -6.201 1.00 51.24 H new ATOM 0 HG2 GLU A 120 -6.899 13.403 -7.792 1.00 55.42 H new ATOM 0 HG3 GLU A 120 -8.080 13.394 -9.087 1.00 55.42 H new ATOM 1905 N THR A 121 -7.443 11.844 -5.091 1.00 52.14 N ATOM 1906 CA THR A 121 -6.167 11.335 -4.539 1.00 34.15 C ATOM 1907 C THR A 121 -6.226 9.813 -4.322 1.00 73.02 C ATOM 1908 O THR A 121 -5.278 9.096 -4.651 1.00 60.23 O ATOM 1909 CB THR A 121 -5.800 12.043 -3.192 1.00 63.15 C ATOM 1910 OG1 THR A 121 -6.832 11.797 -2.213 1.00 73.02 O ATOM 1911 CG2 THR A 121 -5.608 13.566 -3.383 1.00 30.11 C ATOM 0 H THR A 121 -7.922 12.502 -4.477 1.00 52.14 H new ATOM 0 HA THR A 121 -5.392 11.560 -5.271 1.00 34.15 H new ATOM 0 HB THR A 121 -4.855 11.628 -2.842 1.00 63.15 H new ATOM 0 HG1 THR A 121 -6.597 12.241 -1.371 1.00 73.02 H new ATOM 0 HG21 THR A 121 -5.354 14.023 -2.427 1.00 30.11 H new ATOM 0 HG22 THR A 121 -4.803 13.745 -4.096 1.00 30.11 H new ATOM 0 HG23 THR A 121 -6.531 14.005 -3.761 1.00 30.11 H new ATOM 1919 N LEU A 122 -7.364 9.359 -3.761 1.00 10.24 N ATOM 1920 CA LEU A 122 -7.656 7.943 -3.509 1.00 51.52 C ATOM 1921 C LEU A 122 -7.625 7.134 -4.815 1.00 32.33 C ATOM 1922 O LEU A 122 -6.847 6.194 -4.924 1.00 45.52 O ATOM 1923 CB LEU A 122 -9.040 7.812 -2.812 1.00 5.34 C ATOM 1924 CG LEU A 122 -9.517 6.366 -2.451 1.00 20.44 C ATOM 1925 CD1 LEU A 122 -8.537 5.667 -1.492 1.00 23.44 C ATOM 1926 CD2 LEU A 122 -10.950 6.379 -1.876 1.00 21.43 C ATOM 0 H LEU A 122 -8.117 9.981 -3.467 1.00 10.24 H new ATOM 0 HA LEU A 122 -6.887 7.537 -2.852 1.00 51.52 H new ATOM 0 HB2 LEU A 122 -9.015 8.400 -1.894 1.00 5.34 H new ATOM 0 HB3 LEU A 122 -9.790 8.265 -3.460 1.00 5.34 H new ATOM 0 HG LEU A 122 -9.533 5.788 -3.375 1.00 20.44 H new ATOM 0 HD11 LEU A 122 -8.902 4.666 -1.265 1.00 23.44 H new ATOM 0 HD12 LEU A 122 -7.556 5.597 -1.962 1.00 23.44 H new ATOM 0 HD13 LEU A 122 -8.458 6.242 -0.570 1.00 23.44 H new ATOM 0 HD21 LEU A 122 -11.254 5.361 -1.634 1.00 21.43 H new ATOM 0 HD22 LEU A 122 -10.974 6.989 -0.973 1.00 21.43 H new ATOM 0 HD23 LEU A 122 -11.634 6.797 -2.614 1.00 21.43 H new ATOM 1938 N ASN A 123 -8.426 7.566 -5.818 1.00 34.30 N ATOM 1939 CA ASN A 123 -8.594 6.823 -7.099 1.00 32.32 C ATOM 1940 C ASN A 123 -7.274 6.749 -7.875 1.00 33.12 C ATOM 1941 O ASN A 123 -6.952 5.717 -8.473 1.00 21.45 O ATOM 1942 CB ASN A 123 -9.705 7.455 -7.985 1.00 43.13 C ATOM 1943 CG ASN A 123 -11.114 7.236 -7.433 1.00 53.53 C ATOM 1944 OD1 ASN A 123 -11.398 6.227 -6.785 1.00 4.22 O ATOM 1945 ND2 ASN A 123 -12.004 8.181 -7.677 1.00 41.01 N ATOM 0 H ASN A 123 -8.969 8.428 -5.768 1.00 34.30 H new ATOM 0 HA ASN A 123 -8.901 5.809 -6.843 1.00 32.32 H new ATOM 0 HB2 ASN A 123 -9.521 8.525 -8.079 1.00 43.13 H new ATOM 0 HB3 ASN A 123 -9.645 7.032 -8.988 1.00 43.13 H new ATOM 0 HD21 ASN A 123 -12.957 8.087 -7.326 1.00 41.01 H new ATOM 0 HD22 ASN A 123 -11.738 9.005 -8.217 1.00 41.01 H new ATOM 1952 N SER A 124 -6.517 7.855 -7.836 1.00 14.12 N ATOM 1953 CA SER A 124 -5.204 7.966 -8.485 1.00 42.12 C ATOM 1954 C SER A 124 -4.162 7.054 -7.792 1.00 51.20 C ATOM 1955 O SER A 124 -3.348 6.417 -8.464 1.00 44.04 O ATOM 1956 CB SER A 124 -4.753 9.443 -8.470 1.00 74.31 C ATOM 1957 OG SER A 124 -3.480 9.617 -9.057 1.00 51.42 O ATOM 0 H SER A 124 -6.802 8.705 -7.349 1.00 14.12 H new ATOM 0 HA SER A 124 -5.286 7.630 -9.519 1.00 42.12 H new ATOM 0 HB2 SER A 124 -5.484 10.050 -9.004 1.00 74.31 H new ATOM 0 HB3 SER A 124 -4.730 9.804 -7.442 1.00 74.31 H new ATOM 0 HG SER A 124 -3.233 10.565 -9.028 1.00 51.42 H new ATOM 1963 N PHE A 125 -4.227 6.983 -6.446 1.00 43.12 N ATOM 1964 CA PHE A 125 -3.328 6.142 -5.626 1.00 73.22 C ATOM 1965 C PHE A 125 -3.602 4.644 -5.889 1.00 2.42 C ATOM 1966 O PHE A 125 -2.666 3.835 -5.965 1.00 71.10 O ATOM 1967 CB PHE A 125 -3.508 6.490 -4.123 1.00 42.01 C ATOM 1968 CG PHE A 125 -2.588 5.725 -3.176 1.00 61.01 C ATOM 1969 CD1 PHE A 125 -1.245 6.079 -3.052 1.00 24.32 C ATOM 1970 CD2 PHE A 125 -3.058 4.652 -2.418 1.00 40.41 C ATOM 1971 CE1 PHE A 125 -0.410 5.387 -2.200 1.00 14.43 C ATOM 1972 CE2 PHE A 125 -2.217 3.964 -1.569 1.00 14.21 C ATOM 1973 CZ PHE A 125 -0.894 4.329 -1.461 1.00 74.32 C ATOM 0 H PHE A 125 -4.906 7.508 -5.895 1.00 43.12 H new ATOM 0 HA PHE A 125 -2.294 6.345 -5.905 1.00 73.22 H new ATOM 0 HB2 PHE A 125 -3.338 7.558 -3.989 1.00 42.01 H new ATOM 0 HB3 PHE A 125 -4.542 6.294 -3.840 1.00 42.01 H new ATOM 0 HD1 PHE A 125 -0.855 6.904 -3.629 1.00 24.32 H new ATOM 0 HD2 PHE A 125 -4.094 4.357 -2.497 1.00 40.41 H new ATOM 0 HE1 PHE A 125 0.627 5.675 -2.112 1.00 14.43 H new ATOM 0 HE2 PHE A 125 -2.597 3.137 -0.988 1.00 14.21 H new ATOM 0 HZ PHE A 125 -0.236 3.787 -0.798 1.00 74.32 H new ATOM 1983 N ILE A 126 -4.902 4.303 -6.022 1.00 64.13 N ATOM 1984 CA ILE A 126 -5.362 2.951 -6.392 1.00 51.31 C ATOM 1985 C ILE A 126 -4.774 2.583 -7.760 1.00 4.23 C ATOM 1986 O ILE A 126 -4.190 1.519 -7.904 1.00 54.34 O ATOM 1987 CB ILE A 126 -6.941 2.868 -6.440 1.00 71.41 C ATOM 1988 CG1 ILE A 126 -7.560 3.213 -5.049 1.00 4.03 C ATOM 1989 CG2 ILE A 126 -7.441 1.476 -6.925 1.00 2.33 C ATOM 1990 CD1 ILE A 126 -9.040 3.559 -5.086 1.00 12.41 C ATOM 0 H ILE A 126 -5.665 4.964 -5.874 1.00 64.13 H new ATOM 0 HA ILE A 126 -5.020 2.246 -5.634 1.00 51.31 H new ATOM 0 HB ILE A 126 -7.275 3.608 -7.167 1.00 71.41 H new ATOM 0 HG12 ILE A 126 -7.415 2.365 -4.380 1.00 4.03 H new ATOM 0 HG13 ILE A 126 -7.014 4.054 -4.621 1.00 4.03 H new ATOM 0 HG21 ILE A 126 -8.531 1.466 -6.942 1.00 2.33 H new ATOM 0 HG22 ILE A 126 -7.061 1.282 -7.928 1.00 2.33 H new ATOM 0 HG23 ILE A 126 -7.082 0.703 -6.245 1.00 2.33 H new ATOM 0 HD11 ILE A 126 -9.386 3.785 -4.077 1.00 12.41 H new ATOM 0 HD12 ILE A 126 -9.195 4.428 -5.726 1.00 12.41 H new ATOM 0 HD13 ILE A 126 -9.602 2.713 -5.481 1.00 12.41 H new ATOM 2002 N SER A 127 -4.887 3.536 -8.727 1.00 15.22 N ATOM 2003 CA SER A 127 -4.418 3.358 -10.120 1.00 4.23 C ATOM 2004 C SER A 127 -2.915 3.012 -10.168 1.00 53.22 C ATOM 2005 O SER A 127 -2.483 2.186 -10.990 1.00 21.51 O ATOM 2006 CB SER A 127 -4.706 4.631 -10.956 1.00 63.34 C ATOM 2007 OG SER A 127 -6.097 4.886 -11.039 1.00 54.02 O ATOM 0 H SER A 127 -5.308 4.449 -8.556 1.00 15.22 H new ATOM 0 HA SER A 127 -4.968 2.522 -10.552 1.00 4.23 H new ATOM 0 HB2 SER A 127 -4.203 5.487 -10.505 1.00 63.34 H new ATOM 0 HB3 SER A 127 -4.295 4.511 -11.958 1.00 63.34 H new ATOM 0 HG SER A 127 -6.426 5.191 -10.168 1.00 54.02 H new ATOM 2013 N VAL A 128 -2.134 3.663 -9.274 1.00 33.34 N ATOM 2014 CA VAL A 128 -0.701 3.380 -9.076 1.00 71.34 C ATOM 2015 C VAL A 128 -0.504 1.902 -8.673 1.00 25.00 C ATOM 2016 O VAL A 128 0.265 1.179 -9.314 1.00 1.43 O ATOM 2017 CB VAL A 128 -0.077 4.344 -7.987 1.00 25.44 C ATOM 2018 CG1 VAL A 128 1.375 3.949 -7.619 1.00 65.44 C ATOM 2019 CG2 VAL A 128 -0.140 5.821 -8.457 1.00 61.24 C ATOM 0 H VAL A 128 -2.487 4.404 -8.668 1.00 33.34 H new ATOM 0 HA VAL A 128 -0.181 3.560 -10.017 1.00 71.34 H new ATOM 0 HB VAL A 128 -0.679 4.239 -7.084 1.00 25.44 H new ATOM 0 HG11 VAL A 128 1.761 4.639 -6.869 1.00 65.44 H new ATOM 0 HG12 VAL A 128 1.386 2.935 -7.219 1.00 65.44 H new ATOM 0 HG13 VAL A 128 2.001 3.995 -8.510 1.00 65.44 H new ATOM 0 HG21 VAL A 128 0.295 6.465 -7.692 1.00 61.24 H new ATOM 0 HG22 VAL A 128 0.420 5.932 -9.386 1.00 61.24 H new ATOM 0 HG23 VAL A 128 -1.179 6.106 -8.624 1.00 61.24 H new ATOM 2029 N LEU A 129 -1.218 1.475 -7.612 1.00 41.15 N ATOM 2030 CA LEU A 129 -1.164 0.085 -7.090 1.00 15.25 C ATOM 2031 C LEU A 129 -1.575 -0.969 -8.149 1.00 51.32 C ATOM 2032 O LEU A 129 -0.985 -2.051 -8.197 1.00 4.13 O ATOM 2033 CB LEU A 129 -2.056 -0.042 -5.825 1.00 75.22 C ATOM 2034 CG LEU A 129 -1.706 0.924 -4.648 1.00 22.10 C ATOM 2035 CD1 LEU A 129 -2.710 0.765 -3.497 1.00 33.11 C ATOM 2036 CD2 LEU A 129 -0.248 0.736 -4.156 1.00 52.31 C ATOM 0 H LEU A 129 -1.850 2.081 -7.089 1.00 41.15 H new ATOM 0 HA LEU A 129 -0.126 -0.121 -6.829 1.00 15.25 H new ATOM 0 HB2 LEU A 129 -3.092 0.130 -6.115 1.00 75.22 H new ATOM 0 HB3 LEU A 129 -1.993 -1.067 -5.460 1.00 75.22 H new ATOM 0 HG LEU A 129 -1.782 1.943 -5.027 1.00 22.10 H new ATOM 0 HD11 LEU A 129 -2.447 1.447 -2.688 1.00 33.11 H new ATOM 0 HD12 LEU A 129 -3.713 0.996 -3.855 1.00 33.11 H new ATOM 0 HD13 LEU A 129 -2.683 -0.261 -3.130 1.00 33.11 H new ATOM 0 HD21 LEU A 129 -0.048 1.428 -3.337 1.00 52.31 H new ATOM 0 HD22 LEU A 129 -0.111 -0.288 -3.808 1.00 52.31 H new ATOM 0 HD23 LEU A 129 0.441 0.936 -4.976 1.00 52.31 H new ATOM 2048 N GLU A 130 -2.578 -0.626 -8.990 1.00 14.03 N ATOM 2049 CA GLU A 130 -3.063 -1.508 -10.077 1.00 70.22 C ATOM 2050 C GLU A 130 -1.947 -1.754 -11.099 1.00 43.00 C ATOM 2051 O GLU A 130 -1.765 -2.877 -11.584 1.00 44.01 O ATOM 2052 CB GLU A 130 -4.300 -0.890 -10.790 1.00 2.20 C ATOM 2053 CG GLU A 130 -5.471 -0.505 -9.867 1.00 41.35 C ATOM 2054 CD GLU A 130 -5.950 -1.641 -8.951 1.00 32.02 C ATOM 2055 OE1 GLU A 130 -6.772 -2.461 -9.405 1.00 4.12 O ATOM 2056 OE2 GLU A 130 -5.536 -1.701 -7.771 1.00 24.21 O ATOM 0 H GLU A 130 -3.072 0.265 -8.935 1.00 14.03 H new ATOM 0 HA GLU A 130 -3.360 -2.457 -9.631 1.00 70.22 H new ATOM 0 HB2 GLU A 130 -3.979 -0.000 -11.332 1.00 2.20 H new ATOM 0 HB3 GLU A 130 -4.663 -1.601 -11.532 1.00 2.20 H new ATOM 0 HG2 GLU A 130 -5.170 0.342 -9.250 1.00 41.35 H new ATOM 0 HG3 GLU A 130 -6.308 -0.171 -10.480 1.00 41.35 H new ATOM 2063 N THR A 131 -1.216 -0.663 -11.417 1.00 43.23 N ATOM 2064 CA THR A 131 -0.066 -0.688 -12.329 1.00 10.14 C ATOM 2065 C THR A 131 1.056 -1.598 -11.775 1.00 33.32 C ATOM 2066 O THR A 131 1.601 -2.429 -12.514 1.00 75.10 O ATOM 2067 CB THR A 131 0.456 0.768 -12.586 1.00 71.24 C ATOM 2068 OG1 THR A 131 -0.609 1.554 -13.151 1.00 62.13 O ATOM 2069 CG2 THR A 131 1.672 0.814 -13.528 1.00 35.43 C ATOM 0 H THR A 131 -1.414 0.264 -11.041 1.00 43.23 H new ATOM 0 HA THR A 131 -0.387 -1.106 -13.283 1.00 10.14 H new ATOM 0 HB THR A 131 0.779 1.171 -11.626 1.00 71.24 H new ATOM 0 HG1 THR A 131 -1.256 1.781 -12.450 1.00 62.13 H new ATOM 0 HG21 THR A 131 1.986 1.849 -13.666 1.00 35.43 H new ATOM 0 HG22 THR A 131 2.491 0.241 -13.093 1.00 35.43 H new ATOM 0 HG23 THR A 131 1.401 0.385 -14.493 1.00 35.43 H new ATOM 2077 N VAL A 132 1.355 -1.457 -10.457 1.00 55.03 N ATOM 2078 CA VAL A 132 2.426 -2.219 -9.778 1.00 2.22 C ATOM 2079 C VAL A 132 2.128 -3.737 -9.816 1.00 24.21 C ATOM 2080 O VAL A 132 2.967 -4.526 -10.261 1.00 1.34 O ATOM 2081 CB VAL A 132 2.639 -1.731 -8.288 1.00 60.44 C ATOM 2082 CG1 VAL A 132 3.737 -2.559 -7.577 1.00 20.45 C ATOM 2083 CG2 VAL A 132 2.984 -0.215 -8.240 1.00 22.22 C ATOM 0 H VAL A 132 0.860 -0.813 -9.841 1.00 55.03 H new ATOM 0 HA VAL A 132 3.353 -2.032 -10.321 1.00 2.22 H new ATOM 0 HB VAL A 132 1.700 -1.886 -7.756 1.00 60.44 H new ATOM 0 HG11 VAL A 132 3.860 -2.199 -6.555 1.00 20.45 H new ATOM 0 HG12 VAL A 132 3.447 -3.609 -7.560 1.00 20.45 H new ATOM 0 HG13 VAL A 132 4.679 -2.452 -8.115 1.00 20.45 H new ATOM 0 HG21 VAL A 132 3.125 0.093 -7.204 1.00 22.22 H new ATOM 0 HG22 VAL A 132 3.901 -0.032 -8.801 1.00 22.22 H new ATOM 0 HG23 VAL A 132 2.168 0.358 -8.681 1.00 22.22 H new ATOM 2093 N ILE A 133 0.910 -4.116 -9.380 1.00 75.13 N ATOM 2094 CA ILE A 133 0.439 -5.521 -9.357 1.00 25.14 C ATOM 2095 C ILE A 133 0.453 -6.121 -10.780 1.00 50.32 C ATOM 2096 O ILE A 133 0.940 -7.246 -10.996 1.00 34.45 O ATOM 2097 CB ILE A 133 -1.009 -5.611 -8.711 1.00 24.33 C ATOM 2098 CG1 ILE A 133 -0.943 -5.268 -7.178 1.00 74.53 C ATOM 2099 CG2 ILE A 133 -1.698 -6.983 -8.966 1.00 43.40 C ATOM 2100 CD1 ILE A 133 -2.242 -5.465 -6.417 1.00 53.12 C ATOM 0 H ILE A 133 0.218 -3.453 -9.031 1.00 75.13 H new ATOM 0 HA ILE A 133 1.120 -6.107 -8.740 1.00 25.14 H new ATOM 0 HB ILE A 133 -1.635 -4.868 -9.206 1.00 24.33 H new ATOM 0 HG12 ILE A 133 -0.172 -5.885 -6.716 1.00 74.53 H new ATOM 0 HG13 ILE A 133 -0.629 -4.230 -7.067 1.00 74.53 H new ATOM 0 HG21 ILE A 133 -2.684 -6.987 -8.502 1.00 43.40 H new ATOM 0 HG22 ILE A 133 -1.802 -7.144 -10.039 1.00 43.40 H new ATOM 0 HG23 ILE A 133 -1.092 -7.780 -8.536 1.00 43.40 H new ATOM 0 HD11 ILE A 133 -2.094 -5.202 -5.370 1.00 53.12 H new ATOM 0 HD12 ILE A 133 -3.015 -4.827 -6.845 1.00 53.12 H new ATOM 0 HD13 ILE A 133 -2.551 -6.508 -6.489 1.00 53.12 H new ATOM 2112 N GLY A 134 -0.042 -5.315 -11.735 1.00 22.43 N ATOM 2113 CA GLY A 134 -0.112 -5.694 -13.140 1.00 34.45 C ATOM 2114 C GLY A 134 1.248 -6.048 -13.728 1.00 21.53 C ATOM 2115 O GLY A 134 1.383 -7.067 -14.418 1.00 40.21 O ATOM 0 H GLY A 134 -0.404 -4.381 -11.544 1.00 22.43 H new ATOM 0 HA2 GLY A 134 -0.782 -6.547 -13.248 1.00 34.45 H new ATOM 0 HA3 GLY A 134 -0.546 -4.873 -13.711 1.00 34.45 H new ATOM 2119 N THR A 135 2.264 -5.220 -13.395 1.00 43.31 N ATOM 2120 CA THR A 135 3.635 -5.351 -13.922 1.00 4.11 C ATOM 2121 C THR A 135 4.318 -6.647 -13.429 1.00 13.50 C ATOM 2122 O THR A 135 5.195 -7.188 -14.110 1.00 33.21 O ATOM 2123 CB THR A 135 4.502 -4.098 -13.558 1.00 70.13 C ATOM 2124 OG1 THR A 135 3.829 -2.909 -13.999 1.00 62.31 O ATOM 2125 CG2 THR A 135 5.896 -4.137 -14.211 1.00 34.54 C ATOM 0 H THR A 135 2.152 -4.439 -12.749 1.00 43.31 H new ATOM 0 HA THR A 135 3.557 -5.411 -15.008 1.00 4.11 H new ATOM 0 HB THR A 135 4.633 -4.101 -12.476 1.00 70.13 H new ATOM 0 HG1 THR A 135 3.107 -2.690 -13.373 1.00 62.31 H new ATOM 0 HG21 THR A 135 6.456 -3.246 -13.927 1.00 34.54 H new ATOM 0 HG22 THR A 135 6.431 -5.025 -13.874 1.00 34.54 H new ATOM 0 HG23 THR A 135 5.789 -4.168 -15.295 1.00 34.54 H new ATOM 2133 N ILE A 136 3.890 -7.154 -12.255 1.00 2.22 N ATOM 2134 CA ILE A 136 4.400 -8.428 -11.720 1.00 50.23 C ATOM 2135 C ILE A 136 3.807 -9.584 -12.543 1.00 4.54 C ATOM 2136 O ILE A 136 4.514 -10.526 -12.903 1.00 12.11 O ATOM 2137 CB ILE A 136 4.031 -8.640 -10.206 1.00 51.10 C ATOM 2138 CG1 ILE A 136 4.353 -7.369 -9.366 1.00 53.53 C ATOM 2139 CG2 ILE A 136 4.761 -9.888 -9.629 1.00 75.31 C ATOM 2140 CD1 ILE A 136 3.846 -7.394 -7.938 1.00 23.21 C ATOM 0 H ILE A 136 3.194 -6.700 -11.663 1.00 2.22 H new ATOM 0 HA ILE A 136 5.487 -8.404 -11.792 1.00 50.23 H new ATOM 0 HB ILE A 136 2.957 -8.816 -10.144 1.00 51.10 H new ATOM 0 HG12 ILE A 136 5.434 -7.229 -9.349 1.00 53.53 H new ATOM 0 HG13 ILE A 136 3.927 -6.502 -9.871 1.00 53.53 H new ATOM 0 HG21 ILE A 136 4.491 -10.015 -8.581 1.00 75.31 H new ATOM 0 HG22 ILE A 136 4.465 -10.774 -10.190 1.00 75.31 H new ATOM 0 HG23 ILE A 136 5.839 -9.750 -9.712 1.00 75.31 H new ATOM 0 HD11 ILE A 136 4.121 -6.465 -7.438 1.00 23.21 H new ATOM 0 HD12 ILE A 136 2.761 -7.498 -7.939 1.00 23.21 H new ATOM 0 HD13 ILE A 136 4.291 -8.236 -7.409 1.00 23.21 H new ATOM 2152 N GLU A 137 2.499 -9.461 -12.869 1.00 75.30 N ATOM 2153 CA GLU A 137 1.721 -10.519 -13.554 1.00 71.42 C ATOM 2154 C GLU A 137 1.841 -10.450 -15.092 1.00 12.33 C ATOM 2155 O GLU A 137 1.063 -11.088 -15.814 1.00 73.40 O ATOM 2156 CB GLU A 137 0.240 -10.452 -13.118 1.00 5.54 C ATOM 2157 CG GLU A 137 0.017 -10.670 -11.607 1.00 42.42 C ATOM 2158 CD GLU A 137 -1.458 -10.898 -11.243 1.00 51.15 C ATOM 2159 OE1 GLU A 137 -2.204 -9.908 -11.101 1.00 10.01 O ATOM 2160 OE2 GLU A 137 -1.879 -12.075 -11.137 1.00 21.22 O ATOM 0 H GLU A 137 1.953 -8.624 -12.664 1.00 75.30 H new ATOM 0 HA GLU A 137 2.145 -11.477 -13.254 1.00 71.42 H new ATOM 0 HB2 GLU A 137 -0.166 -9.480 -13.398 1.00 5.54 H new ATOM 0 HB3 GLU A 137 -0.324 -11.204 -13.670 1.00 5.54 H new ATOM 0 HG2 GLU A 137 0.603 -11.529 -11.279 1.00 42.42 H new ATOM 0 HG3 GLU A 137 0.390 -9.803 -11.062 1.00 42.42 H new ATOM 2167 N GLU A 138 2.826 -9.685 -15.582 1.00 53.31 N ATOM 2168 CA GLU A 138 3.208 -9.657 -17.007 1.00 20.21 C ATOM 2169 C GLU A 138 3.963 -10.945 -17.409 1.00 52.42 C ATOM 2170 O GLU A 138 4.058 -11.898 -16.623 1.00 71.23 O ATOM 2171 CB GLU A 138 4.094 -8.416 -17.262 1.00 34.22 C ATOM 2172 CG GLU A 138 3.388 -7.062 -17.081 1.00 11.45 C ATOM 2173 CD GLU A 138 2.342 -6.778 -18.168 1.00 55.21 C ATOM 2174 OE1 GLU A 138 2.741 -6.382 -19.287 1.00 22.23 O ATOM 2175 OE2 GLU A 138 1.131 -6.964 -17.928 1.00 12.24 O ATOM 0 H GLU A 138 3.386 -9.063 -14.999 1.00 53.31 H new ATOM 0 HA GLU A 138 2.305 -9.602 -17.615 1.00 20.21 H new ATOM 0 HB2 GLU A 138 4.950 -8.455 -16.588 1.00 34.22 H new ATOM 0 HB3 GLU A 138 4.486 -8.471 -18.278 1.00 34.22 H new ATOM 0 HG2 GLU A 138 2.904 -7.039 -16.105 1.00 11.45 H new ATOM 0 HG3 GLU A 138 4.133 -6.267 -17.086 1.00 11.45 H new ATOM 2182 N ILE A 139 4.460 -10.986 -18.663 1.00 73.12 N ATOM 2183 CA ILE A 139 5.334 -12.075 -19.120 1.00 11.13 C ATOM 2184 C ILE A 139 6.681 -11.938 -18.380 1.00 14.34 C ATOM 2185 O ILE A 139 7.485 -11.046 -18.695 1.00 23.20 O ATOM 2186 CB ILE A 139 5.519 -12.071 -20.686 1.00 22.54 C ATOM 2187 CG1 ILE A 139 4.121 -12.168 -21.388 1.00 70.23 C ATOM 2188 CG2 ILE A 139 6.467 -13.217 -21.146 1.00 33.34 C ATOM 2189 CD1 ILE A 139 4.150 -12.136 -22.908 1.00 52.21 C ATOM 0 H ILE A 139 4.269 -10.278 -19.372 1.00 73.12 H new ATOM 0 HA ILE A 139 4.877 -13.037 -18.886 1.00 11.13 H new ATOM 0 HB ILE A 139 5.989 -11.132 -20.979 1.00 22.54 H new ATOM 0 HG12 ILE A 139 3.637 -13.092 -21.070 1.00 70.23 H new ATOM 0 HG13 ILE A 139 3.499 -11.345 -21.036 1.00 70.23 H new ATOM 0 HG21 ILE A 139 6.574 -13.187 -22.230 1.00 33.34 H new ATOM 0 HG22 ILE A 139 7.445 -13.089 -20.681 1.00 33.34 H new ATOM 0 HG23 ILE A 139 6.047 -14.178 -20.849 1.00 33.34 H new ATOM 0 HD11 ILE A 139 3.133 -12.209 -23.293 1.00 52.21 H new ATOM 0 HD12 ILE A 139 4.599 -11.201 -23.244 1.00 52.21 H new ATOM 0 HD13 ILE A 139 4.739 -12.975 -23.278 1.00 52.21 H new ATOM 2201 N LYS A 140 6.859 -12.813 -17.364 1.00 53.00 N ATOM 2202 CA LYS A 140 7.910 -12.738 -16.328 1.00 40.12 C ATOM 2203 C LYS A 140 7.666 -11.509 -15.411 1.00 72.44 C ATOM 2204 O LYS A 140 7.138 -11.663 -14.299 1.00 15.21 O ATOM 2205 CB LYS A 140 9.345 -12.760 -16.922 1.00 4.23 C ATOM 2206 CG LYS A 140 9.643 -13.977 -17.828 1.00 32.01 C ATOM 2207 CD LYS A 140 11.072 -13.944 -18.425 1.00 4.13 C ATOM 2208 CE LYS A 140 11.315 -15.080 -19.432 1.00 51.12 C ATOM 2209 NZ LYS A 140 10.401 -15.005 -20.604 1.00 12.12 N ATOM 0 H LYS A 140 6.250 -13.622 -17.240 1.00 53.00 H new ATOM 0 HA LYS A 140 7.841 -13.638 -15.717 1.00 40.12 H new ATOM 0 HB2 LYS A 140 9.501 -11.847 -17.497 1.00 4.23 H new ATOM 0 HB3 LYS A 140 10.064 -12.747 -16.103 1.00 4.23 H new ATOM 0 HG2 LYS A 140 9.516 -14.893 -17.252 1.00 32.01 H new ATOM 0 HG3 LYS A 140 8.916 -14.007 -18.639 1.00 32.01 H new ATOM 0 HD2 LYS A 140 11.235 -12.985 -18.917 1.00 4.13 H new ATOM 0 HD3 LYS A 140 11.801 -14.016 -17.618 1.00 4.13 H new ATOM 0 HE2 LYS A 140 12.348 -15.041 -19.777 1.00 51.12 H new ATOM 0 HE3 LYS A 140 11.182 -16.039 -18.932 1.00 51.12 H new ATOM 0 HZ1 LYS A 140 10.740 -15.645 -21.350 1.00 12.12 H new ATOM 0 HZ2 LYS A 140 9.442 -15.287 -20.315 1.00 12.12 H new ATOM 0 HZ3 LYS A 140 10.381 -14.031 -20.967 1.00 12.12 H new ATOM 2223 N SER A 141 8.013 -10.301 -15.916 1.00 34.30 N ATOM 2224 CA SER A 141 7.804 -9.015 -15.223 1.00 54.12 C ATOM 2225 C SER A 141 8.114 -7.855 -16.212 1.00 44.40 C ATOM 2226 O SER A 141 9.304 -7.509 -16.389 1.00 55.45 O ATOM 2227 CB SER A 141 8.661 -8.931 -13.919 1.00 51.21 C ATOM 2228 OG SER A 141 10.012 -9.305 -14.152 1.00 52.45 O ATOM 2229 OXT SER A 141 7.179 -7.329 -16.850 1.00 37.25 O ATOM 0 H SER A 141 8.452 -10.195 -16.830 1.00 34.30 H new ATOM 0 HA SER A 141 6.764 -8.931 -14.906 1.00 54.12 H new ATOM 0 HB2 SER A 141 8.627 -7.915 -13.527 1.00 51.21 H new ATOM 0 HB3 SER A 141 8.230 -9.581 -13.158 1.00 51.21 H new ATOM 0 HG SER A 141 10.338 -8.864 -14.964 1.00 52.45 H new TER 2235 SER A 141