USER MOD reduce.3.24.130724 H: found=0, std=0, add=938, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 938 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 89 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 102 ASN : amide:sc= 0 X(o=0,f=0.26) USER MOD Set 2.1: A 91 SER OG : rot 180:sc= 0.693 USER MOD Set 2.2: A 100 THR OG1 : rot -90:sc= 0.783 USER MOD Single : A 1 MET CE :methyl -165:sc= -0.0164 (180deg=-0.269) USER MOD Single : A 1 MET N :NH3+ -147:sc= 0.628 (180deg=0.346!) USER MOD Single : A 3 HIS : no HD1:sc= -0.585 X(o=-0.59,f=-0.16) USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 6 HIS : no HD1:sc= -0.265 X(o=-0.27,f=-0.0037) USER MOD Single : A 7 HIS : no HD1:sc= -0.162 X(o=-0.16,f=-0.29) USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0.0269 USER MOD Single : A 10 HIS : no HD1:sc= -0.407 X(o=-0.41,f=-0.26) USER MOD Single : A 12 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 13 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0275) USER MOD Single : A 17 MET CE :methyl 164:sc= 0 (180deg=-0.284) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 24 SER OG : rot 26:sc= 0.119 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 169:sc= 1.26 (180deg=1.08) USER MOD Single : A 37 CYS SG : rot -160:sc= -0.0748 USER MOD Single : A 38 GLN : amide:sc= -0.474 K(o=-0.47,f=-8.3!) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ -117:sc= -0.44 (180deg=-1.93!) USER MOD Single : A 52 ASN : amide:sc= -0.0957 K(o=-0.096,f=-0.74) USER MOD Single : A 53 ASN : amide:sc= -0.276 K(o=-0.28,f=-3.3!) USER MOD Single : A 55 MET CE :methyl -149:sc= -1.51 (180deg=-3.05!) USER MOD Single : A 57 GLN : amide:sc= -2.51 K(o=-2.5,f=-0.57) USER MOD Single : A 59 ASN : amide:sc= -0.993 K(o=-0.99,f=-2.6!) USER MOD Single : A 60 THR OG1 : rot 180:sc= -0.216 USER MOD Single : A 64 SER OG : rot -29:sc= -1.34! USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= -0.575 K(o=-0.57,f=-3.5!) USER MOD Single : A 69 ASN : amide:sc= -0.303 X(o=-0.3,f=-0.074) USER MOD Single : A 70 THR OG1 : rot -41:sc= 0.666 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 ASN : amide:sc= -4.56! K(o=-4.6!,f=-0.87) USER MOD Single : A 82 LYS NZ :NH3+ 166:sc= 0.746 (180deg=0.303) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 TYR OH : rot 180:sc= -0.918 USER MOD Single : A 94 ASN : amide:sc= -3.36! C(o=-3.4!,f=-13!) USER MOD Single : A 99 THR OG1 : rot 170:sc= -0.222 USER MOD Single : A 101 CYS SG : rot 180:sc= -0.679 USER MOD Single : A 103 THR OG1 : rot 130:sc= -1.5! USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 112 ASN : amide:sc= 0 K(o=0,f=-0.82) USER MOD Single : A 113 GLN : amide:sc= -0.605 K(o=-0.61,f=-5.9!) USER MOD Single : A 114 THR OG1 : rot 36:sc= 0.997 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 37.376 -20.297 0.994 1.00 0.42 N ATOM 2 CA MET A 1 38.268 -20.937 -0.011 1.00 15.45 C ATOM 3 C MET A 1 37.850 -20.562 -1.440 1.00 20.30 C ATOM 4 O MET A 1 36.848 -19.877 -1.645 1.00 14.10 O ATOM 5 CB MET A 1 38.239 -22.464 0.151 1.00 44.25 C ATOM 6 CG MET A 1 36.868 -23.080 -0.113 1.00 2.34 C ATOM 7 SD MET A 1 35.612 -22.513 1.053 1.00 15.52 S ATOM 8 CE MET A 1 36.170 -23.298 2.567 1.00 41.31 C ATOM 0 H1 MET A 1 37.922 -20.075 1.851 1.00 0.42 H new ATOM 0 H2 MET A 1 36.980 -19.420 0.599 1.00 0.42 H new ATOM 0 H3 MET A 1 36.602 -20.948 1.236 1.00 0.42 H new ATOM 0 HA MET A 1 39.281 -20.573 0.160 1.00 15.45 H new ATOM 0 HB2 MET A 1 38.965 -22.907 -0.531 1.00 44.25 H new ATOM 0 HB3 MET A 1 38.554 -22.720 1.163 1.00 44.25 H new ATOM 0 HG2 MET A 1 36.553 -22.834 -1.127 1.00 2.34 H new ATOM 0 HG3 MET A 1 36.945 -24.166 -0.057 1.00 2.34 H new ATOM 0 HE1 MET A 1 35.371 -23.269 3.308 1.00 41.31 H new ATOM 0 HE2 MET A 1 36.437 -24.335 2.362 1.00 41.31 H new ATOM 0 HE3 MET A 1 37.041 -22.768 2.952 1.00 41.31 H new ATOM 20 N GLY A 2 38.630 -21.012 -2.421 1.00 63.42 N ATOM 21 CA GLY A 2 38.283 -20.803 -3.824 1.00 30.41 C ATOM 22 C GLY A 2 38.238 -19.336 -4.249 1.00 21.14 C ATOM 23 O GLY A 2 39.277 -18.685 -4.371 1.00 12.25 O ATOM 0 H GLY A 2 39.501 -21.521 -2.271 1.00 63.42 H new ATOM 0 HA2 GLY A 2 39.007 -21.328 -4.447 1.00 30.41 H new ATOM 0 HA3 GLY A 2 37.310 -21.255 -4.017 1.00 30.41 H new ATOM 27 N HIS A 3 37.029 -18.816 -4.467 1.00 21.20 N ATOM 28 CA HIS A 3 36.842 -17.470 -5.030 1.00 50.41 C ATOM 29 C HIS A 3 36.733 -16.388 -3.933 1.00 14.40 C ATOM 30 O HIS A 3 36.592 -15.204 -4.236 1.00 5.15 O ATOM 31 CB HIS A 3 35.586 -17.471 -5.919 1.00 65.34 C ATOM 32 CG HIS A 3 35.386 -16.217 -6.722 1.00 73.43 C ATOM 33 ND1 HIS A 3 36.073 -15.948 -7.887 1.00 43.52 N ATOM 34 CD2 HIS A 3 34.550 -15.165 -6.536 1.00 72.54 C ATOM 35 CE1 HIS A 3 35.672 -14.794 -8.379 1.00 1.13 C ATOM 36 NE2 HIS A 3 34.750 -14.299 -7.581 1.00 34.10 N ATOM 0 H HIS A 3 36.158 -19.306 -4.262 1.00 21.20 H new ATOM 0 HA HIS A 3 37.720 -17.221 -5.626 1.00 50.41 H new ATOM 0 HB2 HIS A 3 35.641 -18.319 -6.602 1.00 65.34 H new ATOM 0 HB3 HIS A 3 34.711 -17.626 -5.288 1.00 65.34 H new ATOM 0 HD2 HIS A 3 33.857 -15.034 -5.718 1.00 72.54 H new ATOM 0 HE1 HIS A 3 36.038 -14.332 -9.284 1.00 1.13 H new ATOM 0 HE2 HIS A 3 34.262 -13.414 -7.718 1.00 34.10 H new ATOM 45 N HIS A 4 36.780 -16.808 -2.663 1.00 2.31 N ATOM 46 CA HIS A 4 36.759 -15.887 -1.506 1.00 72.21 C ATOM 47 C HIS A 4 35.371 -15.266 -1.240 1.00 10.33 C ATOM 48 O HIS A 4 35.180 -14.599 -0.222 1.00 20.04 O ATOM 49 CB HIS A 4 37.801 -14.763 -1.661 1.00 24.21 C ATOM 50 CG HIS A 4 39.219 -15.210 -1.474 1.00 73.02 C ATOM 51 ND1 HIS A 4 39.968 -14.877 -0.367 1.00 12.31 N ATOM 52 CD2 HIS A 4 40.032 -15.957 -2.258 1.00 42.34 C ATOM 53 CE1 HIS A 4 41.174 -15.395 -0.476 1.00 1.15 C ATOM 54 NE2 HIS A 4 41.241 -16.057 -1.613 1.00 12.05 N ATOM 0 H HIS A 4 36.834 -17.793 -2.402 1.00 2.31 H new ATOM 0 HA HIS A 4 37.012 -16.505 -0.644 1.00 72.21 H new ATOM 0 HB2 HIS A 4 37.699 -14.322 -2.653 1.00 24.21 H new ATOM 0 HB3 HIS A 4 37.581 -13.977 -0.938 1.00 24.21 H new ATOM 0 HD2 HIS A 4 39.777 -16.393 -3.213 1.00 42.34 H new ATOM 0 HE1 HIS A 4 41.972 -15.294 0.244 1.00 1.15 H new ATOM 0 HE2 HIS A 4 42.057 -16.562 -1.958 1.00 12.05 H new ATOM 63 N HIS A 5 34.408 -15.490 -2.131 1.00 42.35 N ATOM 64 CA HIS A 5 33.074 -14.901 -1.965 1.00 72.44 C ATOM 65 C HIS A 5 32.337 -15.536 -0.773 1.00 15.33 C ATOM 66 O HIS A 5 31.994 -16.720 -0.799 1.00 40.23 O ATOM 67 CB HIS A 5 32.249 -15.065 -3.249 1.00 43.41 C ATOM 68 CG HIS A 5 30.951 -14.311 -3.221 1.00 1.31 C ATOM 69 ND1 HIS A 5 30.862 -12.961 -3.485 1.00 50.14 N ATOM 70 CD2 HIS A 5 29.687 -14.720 -2.953 1.00 54.44 C ATOM 71 CE1 HIS A 5 29.608 -12.574 -3.377 1.00 30.12 C ATOM 72 NE2 HIS A 5 28.874 -13.620 -3.059 1.00 23.43 N ATOM 0 H HIS A 5 34.519 -16.066 -2.965 1.00 42.35 H new ATOM 0 HA HIS A 5 33.198 -13.837 -1.763 1.00 72.44 H new ATOM 0 HB2 HIS A 5 32.841 -14.725 -4.099 1.00 43.41 H new ATOM 0 HB3 HIS A 5 32.043 -16.124 -3.408 1.00 43.41 H new ATOM 0 HD2 HIS A 5 29.378 -15.724 -2.703 1.00 54.44 H new ATOM 0 HE1 HIS A 5 29.243 -11.568 -3.524 1.00 30.12 H new ATOM 0 HE2 HIS A 5 27.864 -13.613 -2.915 1.00 23.43 H new ATOM 81 N HIS A 6 32.106 -14.733 0.269 1.00 12.05 N ATOM 82 CA HIS A 6 31.452 -15.198 1.502 1.00 23.33 C ATOM 83 C HIS A 6 30.099 -15.882 1.209 1.00 53.12 C ATOM 84 O HIS A 6 29.075 -15.220 1.023 1.00 74.45 O ATOM 85 CB HIS A 6 31.261 -14.011 2.461 1.00 35.03 C ATOM 86 CG HIS A 6 30.829 -14.398 3.844 1.00 35.03 C ATOM 87 ND1 HIS A 6 29.571 -14.136 4.345 1.00 14.21 N ATOM 88 CD2 HIS A 6 31.504 -15.016 4.843 1.00 62.44 C ATOM 89 CE1 HIS A 6 29.492 -14.574 5.584 1.00 33.01 C ATOM 90 NE2 HIS A 6 30.649 -15.110 5.913 1.00 31.52 N ATOM 0 H HIS A 6 32.364 -13.746 0.285 1.00 12.05 H new ATOM 0 HA HIS A 6 32.095 -15.944 1.970 1.00 23.33 H new ATOM 0 HB2 HIS A 6 32.198 -13.458 2.527 1.00 35.03 H new ATOM 0 HB3 HIS A 6 30.520 -13.333 2.038 1.00 35.03 H new ATOM 0 HD2 HIS A 6 32.524 -15.369 4.805 1.00 62.44 H new ATOM 0 HE1 HIS A 6 28.624 -14.505 6.223 1.00 33.01 H new ATOM 0 HE2 HIS A 6 30.873 -15.527 6.816 1.00 31.52 H new ATOM 99 N HIS A 7 30.111 -17.216 1.157 1.00 73.21 N ATOM 100 CA HIS A 7 28.921 -18.003 0.798 1.00 51.34 C ATOM 101 C HIS A 7 28.308 -18.720 2.018 1.00 23.44 C ATOM 102 O HIS A 7 27.283 -19.397 1.902 1.00 54.21 O ATOM 103 CB HIS A 7 29.297 -19.027 -0.284 1.00 52.33 C ATOM 104 CG HIS A 7 28.125 -19.767 -0.855 1.00 74.22 C ATOM 105 ND1 HIS A 7 27.811 -21.066 -0.515 1.00 44.21 N ATOM 106 CD2 HIS A 7 27.188 -19.383 -1.754 1.00 22.53 C ATOM 107 CE1 HIS A 7 26.738 -21.446 -1.177 1.00 51.51 C ATOM 108 NE2 HIS A 7 26.341 -20.446 -1.936 1.00 53.32 N ATOM 0 H HIS A 7 30.936 -17.780 1.360 1.00 73.21 H new ATOM 0 HA HIS A 7 28.165 -17.316 0.417 1.00 51.34 H new ATOM 0 HB2 HIS A 7 29.818 -18.513 -1.092 1.00 52.33 H new ATOM 0 HB3 HIS A 7 29.997 -19.747 0.139 1.00 52.33 H new ATOM 0 HD2 HIS A 7 27.120 -18.420 -2.237 1.00 22.53 H new ATOM 0 HE1 HIS A 7 26.264 -22.414 -1.109 1.00 51.51 H new ATOM 0 HE2 HIS A 7 25.533 -20.460 -2.559 1.00 53.32 H new ATOM 117 N HIS A 8 28.938 -18.585 3.182 1.00 45.34 N ATOM 118 CA HIS A 8 28.423 -19.200 4.413 1.00 15.12 C ATOM 119 C HIS A 8 28.155 -18.137 5.492 1.00 75.44 C ATOM 120 O HIS A 8 29.055 -17.747 6.239 1.00 2.43 O ATOM 121 CB HIS A 8 29.406 -20.260 4.929 1.00 4.04 C ATOM 122 CG HIS A 8 28.867 -21.075 6.065 1.00 61.10 C ATOM 123 ND1 HIS A 8 28.007 -22.135 5.882 1.00 54.05 N ATOM 124 CD2 HIS A 8 29.061 -20.981 7.405 1.00 3.13 C ATOM 125 CE1 HIS A 8 27.692 -22.654 7.051 1.00 34.25 C ATOM 126 NE2 HIS A 8 28.318 -21.974 7.988 1.00 12.13 N ATOM 0 H HIS A 8 29.803 -18.058 3.304 1.00 45.34 H new ATOM 0 HA HIS A 8 27.475 -19.686 4.181 1.00 15.12 H new ATOM 0 HB2 HIS A 8 29.672 -20.927 4.109 1.00 4.04 H new ATOM 0 HB3 HIS A 8 30.324 -19.767 5.250 1.00 4.04 H new ATOM 0 HD2 HIS A 8 29.683 -20.260 7.915 1.00 3.13 H new ATOM 0 HE1 HIS A 8 27.033 -23.494 7.213 1.00 34.25 H new ATOM 0 HE2 HIS A 8 28.259 -22.157 8.990 1.00 12.13 H new ATOM 135 N SER A 9 26.911 -17.666 5.559 1.00 51.03 N ATOM 136 CA SER A 9 26.523 -16.602 6.500 1.00 1.32 C ATOM 137 C SER A 9 25.973 -17.167 7.814 1.00 45.40 C ATOM 138 O SER A 9 26.212 -16.604 8.880 1.00 43.43 O ATOM 139 CB SER A 9 25.465 -15.686 5.869 1.00 61.11 C ATOM 140 OG SER A 9 24.262 -16.396 5.602 1.00 73.20 O ATOM 0 H SER A 9 26.147 -18.002 4.972 1.00 51.03 H new ATOM 0 HA SER A 9 27.426 -16.033 6.722 1.00 1.32 H new ATOM 0 HB2 SER A 9 25.257 -14.852 6.539 1.00 61.11 H new ATOM 0 HB3 SER A 9 25.853 -15.262 4.943 1.00 61.11 H new ATOM 0 HG SER A 9 23.605 -15.788 5.202 1.00 73.20 H new ATOM 146 N HIS A 10 25.226 -18.273 7.727 1.00 0.31 N ATOM 147 CA HIS A 10 24.560 -18.869 8.898 1.00 71.24 C ATOM 148 C HIS A 10 23.496 -17.901 9.464 1.00 31.32 C ATOM 149 O HIS A 10 23.143 -17.952 10.644 1.00 23.43 O ATOM 150 CB HIS A 10 25.604 -19.253 9.970 1.00 34.22 C ATOM 151 CG HIS A 10 25.070 -20.069 11.119 1.00 21.03 C ATOM 152 ND1 HIS A 10 25.772 -20.255 12.292 1.00 70.32 N ATOM 153 CD2 HIS A 10 23.912 -20.761 11.271 1.00 64.42 C ATOM 154 CE1 HIS A 10 25.076 -21.017 13.109 1.00 2.55 C ATOM 155 NE2 HIS A 10 23.946 -21.336 12.517 1.00 1.15 N ATOM 0 H HIS A 10 25.065 -18.778 6.855 1.00 0.31 H new ATOM 0 HA HIS A 10 24.048 -19.780 8.589 1.00 71.24 H new ATOM 0 HB2 HIS A 10 26.406 -19.813 9.489 1.00 34.22 H new ATOM 0 HB3 HIS A 10 26.046 -18.340 10.368 1.00 34.22 H new ATOM 0 HD2 HIS A 10 23.114 -20.844 10.548 1.00 64.42 H new ATOM 0 HE1 HIS A 10 25.381 -21.327 14.097 1.00 2.55 H new ATOM 0 HE2 HIS A 10 23.212 -21.918 12.920 1.00 1.15 H new ATOM 164 N GLU A 11 22.988 -17.023 8.598 1.00 22.43 N ATOM 165 CA GLU A 11 21.919 -16.083 8.960 1.00 35.22 C ATOM 166 C GLU A 11 20.541 -16.633 8.556 1.00 13.55 C ATOM 167 O GLU A 11 20.443 -17.550 7.737 1.00 62.41 O ATOM 168 CB GLU A 11 22.155 -14.722 8.286 1.00 31.55 C ATOM 169 CG GLU A 11 23.453 -14.037 8.704 1.00 41.02 C ATOM 170 CD GLU A 11 23.644 -12.681 8.039 1.00 73.11 C ATOM 171 OE1 GLU A 11 22.979 -11.705 8.454 1.00 70.24 O ATOM 172 OE2 GLU A 11 24.461 -12.573 7.102 1.00 23.40 O ATOM 0 H GLU A 11 23.302 -16.941 7.631 1.00 22.43 H new ATOM 0 HA GLU A 11 21.936 -15.955 10.042 1.00 35.22 H new ATOM 0 HB2 GLU A 11 22.161 -14.860 7.205 1.00 31.55 H new ATOM 0 HB3 GLU A 11 21.318 -14.064 8.518 1.00 31.55 H new ATOM 0 HG2 GLU A 11 23.459 -13.910 9.787 1.00 41.02 H new ATOM 0 HG3 GLU A 11 24.296 -14.681 8.454 1.00 41.02 H new ATOM 179 N HIS A 12 19.478 -16.066 9.125 1.00 24.32 N ATOM 180 CA HIS A 12 18.109 -16.521 8.843 1.00 61.13 C ATOM 181 C HIS A 12 17.424 -15.625 7.800 1.00 41.34 C ATOM 182 O HIS A 12 17.279 -14.420 8.006 1.00 31.30 O ATOM 183 CB HIS A 12 17.271 -16.530 10.130 1.00 12.33 C ATOM 184 CG HIS A 12 17.851 -17.371 11.232 1.00 65.22 C ATOM 185 ND1 HIS A 12 18.023 -16.909 12.520 1.00 30.43 N ATOM 186 CD2 HIS A 12 18.283 -18.656 11.238 1.00 43.21 C ATOM 187 CE1 HIS A 12 18.541 -17.865 13.266 1.00 10.43 C ATOM 188 NE2 HIS A 12 18.706 -18.935 12.514 1.00 53.02 N ATOM 0 H HIS A 12 19.534 -15.290 9.785 1.00 24.32 H new ATOM 0 HA HIS A 12 18.178 -17.533 8.443 1.00 61.13 H new ATOM 0 HB2 HIS A 12 17.162 -15.506 10.487 1.00 12.33 H new ATOM 0 HB3 HIS A 12 16.270 -16.894 9.897 1.00 12.33 H new ATOM 0 HD2 HIS A 12 18.293 -19.333 10.397 1.00 43.21 H new ATOM 0 HE1 HIS A 12 18.788 -17.785 14.314 1.00 10.43 H new ATOM 0 HE2 HIS A 12 19.087 -19.827 12.829 1.00 53.02 H new ATOM 197 N LYS A 13 17.007 -16.216 6.680 1.00 13.33 N ATOM 198 CA LYS A 13 16.244 -15.484 5.658 1.00 4.34 C ATOM 199 C LYS A 13 14.821 -16.049 5.512 1.00 30.12 C ATOM 200 O LYS A 13 14.638 -17.226 5.193 1.00 21.12 O ATOM 201 CB LYS A 13 16.964 -15.527 4.300 1.00 11.13 C ATOM 202 CG LYS A 13 18.312 -14.808 4.285 1.00 51.12 C ATOM 203 CD LYS A 13 18.837 -14.617 2.863 1.00 54.21 C ATOM 204 CE LYS A 13 19.146 -15.944 2.174 1.00 4.35 C ATOM 205 NZ LYS A 13 20.317 -16.632 2.782 1.00 21.52 N ATOM 0 H LYS A 13 17.182 -17.195 6.454 1.00 13.33 H new ATOM 0 HA LYS A 13 16.172 -14.447 5.987 1.00 4.34 H new ATOM 0 HB2 LYS A 13 17.116 -16.568 4.015 1.00 11.13 H new ATOM 0 HB3 LYS A 13 16.318 -15.081 3.544 1.00 11.13 H new ATOM 0 HG2 LYS A 13 18.211 -13.836 4.769 1.00 51.12 H new ATOM 0 HG3 LYS A 13 19.036 -15.380 4.866 1.00 51.12 H new ATOM 0 HD2 LYS A 13 18.099 -14.069 2.277 1.00 54.21 H new ATOM 0 HD3 LYS A 13 19.739 -14.006 2.891 1.00 54.21 H new ATOM 0 HE2 LYS A 13 18.273 -16.594 2.233 1.00 4.35 H new ATOM 0 HE3 LYS A 13 19.340 -15.766 1.116 1.00 4.35 H new ATOM 0 HZ1 LYS A 13 20.564 -17.466 2.212 1.00 21.52 H new ATOM 0 HZ2 LYS A 13 21.127 -15.980 2.810 1.00 21.52 H new ATOM 0 HZ3 LYS A 13 20.080 -16.932 3.749 1.00 21.52 H new ATOM 219 N ARG A 14 13.819 -15.200 5.737 1.00 30.42 N ATOM 220 CA ARG A 14 12.409 -15.604 5.645 1.00 61.31 C ATOM 221 C ARG A 14 11.704 -14.882 4.483 1.00 1.34 C ATOM 222 O ARG A 14 11.751 -13.653 4.386 1.00 3.44 O ATOM 223 CB ARG A 14 11.680 -15.288 6.962 1.00 73.04 C ATOM 224 CG ARG A 14 10.242 -15.804 7.022 1.00 62.35 C ATOM 225 CD ARG A 14 10.188 -17.329 7.088 1.00 20.42 C ATOM 226 NE ARG A 14 8.815 -17.837 7.072 1.00 2.42 N ATOM 227 CZ ARG A 14 8.392 -18.829 7.811 1.00 72.21 C ATOM 228 NH1 ARG A 14 9.159 -19.358 8.711 1.00 42.25 N ATOM 229 NH2 ARG A 14 7.183 -19.271 7.668 1.00 41.10 N ATOM 0 H ARG A 14 13.955 -14.220 5.986 1.00 30.42 H new ATOM 0 HA ARG A 14 12.378 -16.678 5.460 1.00 61.31 H new ATOM 0 HB2 ARG A 14 12.244 -15.720 7.789 1.00 73.04 H new ATOM 0 HB3 ARG A 14 11.673 -14.208 7.110 1.00 73.04 H new ATOM 0 HG2 ARG A 14 9.742 -15.385 7.895 1.00 62.35 H new ATOM 0 HG3 ARG A 14 9.695 -15.459 6.145 1.00 62.35 H new ATOM 0 HD2 ARG A 14 10.738 -17.747 6.244 1.00 20.42 H new ATOM 0 HD3 ARG A 14 10.689 -17.669 7.995 1.00 20.42 H new ATOM 0 HE ARG A 14 8.147 -17.389 6.445 1.00 2.42 H new ATOM 0 HH11 ARG A 14 10.104 -19.001 8.849 1.00 42.25 H new ATOM 0 HH12 ARG A 14 8.818 -20.132 9.281 1.00 42.25 H new ATOM 0 HH21 ARG A 14 6.562 -18.845 6.980 1.00 41.10 H new ATOM 0 HH22 ARG A 14 6.851 -20.045 8.244 1.00 41.10 H new ATOM 243 N ALA A 15 11.051 -15.646 3.611 1.00 2.21 N ATOM 244 CA ALA A 15 10.308 -15.071 2.482 1.00 42.12 C ATOM 245 C ALA A 15 9.038 -14.336 2.961 1.00 43.34 C ATOM 246 O ALA A 15 8.343 -14.809 3.865 1.00 41.41 O ATOM 247 CB ALA A 15 9.950 -16.164 1.478 1.00 22.13 C ATOM 0 H ALA A 15 11.018 -16.664 3.660 1.00 2.21 H new ATOM 0 HA ALA A 15 10.949 -14.338 1.992 1.00 42.12 H new ATOM 0 HB1 ALA A 15 9.399 -15.727 0.645 1.00 22.13 H new ATOM 0 HB2 ALA A 15 10.863 -16.629 1.105 1.00 22.13 H new ATOM 0 HB3 ALA A 15 9.332 -16.918 1.966 1.00 22.13 H new ATOM 253 N PRO A 16 8.716 -13.171 2.355 1.00 3.50 N ATOM 254 CA PRO A 16 7.567 -12.346 2.771 1.00 43.30 C ATOM 255 C PRO A 16 6.208 -13.040 2.576 1.00 50.31 C ATOM 256 O PRO A 16 5.938 -13.629 1.530 1.00 53.22 O ATOM 257 CB PRO A 16 7.676 -11.098 1.876 1.00 0.31 C ATOM 258 CG PRO A 16 8.476 -11.539 0.698 1.00 73.32 C ATOM 259 CD PRO A 16 9.442 -12.568 1.222 1.00 33.20 C ATOM 0 HA PRO A 16 7.603 -12.130 3.839 1.00 43.30 H new ATOM 0 HB2 PRO A 16 6.691 -10.742 1.574 1.00 0.31 H new ATOM 0 HB3 PRO A 16 8.165 -10.277 2.401 1.00 0.31 H new ATOM 0 HG2 PRO A 16 7.834 -11.962 -0.074 1.00 73.32 H new ATOM 0 HG3 PRO A 16 9.005 -10.699 0.248 1.00 73.32 H new ATOM 0 HD2 PRO A 16 9.690 -13.310 0.463 1.00 33.20 H new ATOM 0 HD3 PRO A 16 10.380 -12.113 1.542 1.00 33.20 H new ATOM 267 N MET A 17 5.355 -12.954 3.595 1.00 63.33 N ATOM 268 CA MET A 17 4.016 -13.553 3.549 1.00 31.40 C ATOM 269 C MET A 17 2.931 -12.549 3.974 1.00 33.53 C ATOM 270 O MET A 17 2.997 -11.976 5.064 1.00 41.34 O ATOM 271 CB MET A 17 3.973 -14.792 4.457 1.00 50.44 C ATOM 272 CG MET A 17 2.575 -15.353 4.682 1.00 72.20 C ATOM 273 SD MET A 17 1.723 -15.740 3.140 1.00 43.00 S ATOM 274 CE MET A 17 0.132 -16.282 3.768 1.00 31.52 C ATOM 0 H MET A 17 5.566 -12.473 4.469 1.00 63.33 H new ATOM 0 HA MET A 17 3.811 -13.845 2.519 1.00 31.40 H new ATOM 0 HB2 MET A 17 4.599 -15.570 4.020 1.00 50.44 H new ATOM 0 HB3 MET A 17 4.409 -14.536 5.423 1.00 50.44 H new ATOM 0 HG2 MET A 17 2.644 -16.255 5.291 1.00 72.20 H new ATOM 0 HG3 MET A 17 1.985 -14.631 5.247 1.00 72.20 H new ATOM 0 HE1 MET A 17 -0.597 -16.285 2.958 1.00 31.52 H new ATOM 0 HE2 MET A 17 0.226 -17.288 4.176 1.00 31.52 H new ATOM 0 HE3 MET A 17 -0.200 -15.602 4.552 1.00 31.52 H new ATOM 284 N PHE A 18 1.936 -12.338 3.108 1.00 13.41 N ATOM 285 CA PHE A 18 0.776 -11.511 3.458 1.00 75.44 C ATOM 286 C PHE A 18 -0.128 -12.242 4.458 1.00 43.43 C ATOM 287 O PHE A 18 -0.875 -13.154 4.095 1.00 45.20 O ATOM 288 CB PHE A 18 -0.046 -11.144 2.208 1.00 73.20 C ATOM 289 CG PHE A 18 0.503 -9.989 1.403 1.00 2.40 C ATOM 290 CD1 PHE A 18 0.206 -8.679 1.754 1.00 42.24 C ATOM 291 CD2 PHE A 18 1.295 -10.212 0.287 1.00 31.31 C ATOM 292 CE1 PHE A 18 0.692 -7.620 1.011 1.00 64.14 C ATOM 293 CE2 PHE A 18 1.786 -9.155 -0.457 1.00 54.23 C ATOM 294 CZ PHE A 18 1.481 -7.858 -0.095 1.00 11.14 C ATOM 0 H PHE A 18 1.909 -12.725 2.165 1.00 13.41 H new ATOM 0 HA PHE A 18 1.155 -10.596 3.912 1.00 75.44 H new ATOM 0 HB2 PHE A 18 -0.110 -12.020 1.563 1.00 73.20 H new ATOM 0 HB3 PHE A 18 -1.063 -10.902 2.518 1.00 73.20 H new ATOM 0 HD1 PHE A 18 -0.412 -8.485 2.618 1.00 42.24 H new ATOM 0 HD2 PHE A 18 1.531 -11.225 -0.005 1.00 31.31 H new ATOM 0 HE1 PHE A 18 0.454 -6.606 1.296 1.00 64.14 H new ATOM 0 HE2 PHE A 18 2.407 -9.344 -1.320 1.00 54.23 H new ATOM 0 HZ PHE A 18 1.860 -7.031 -0.677 1.00 11.14 H new ATOM 304 N ILE A 19 -0.062 -11.833 5.716 1.00 21.03 N ATOM 305 CA ILE A 19 -0.910 -12.409 6.758 1.00 32.24 C ATOM 306 C ILE A 19 -2.342 -11.854 6.650 1.00 4.54 C ATOM 307 O ILE A 19 -3.319 -12.550 6.925 1.00 14.14 O ATOM 308 CB ILE A 19 -0.337 -12.121 8.172 1.00 53.42 C ATOM 309 CG1 ILE A 19 1.173 -12.423 8.212 1.00 72.23 C ATOM 310 CG2 ILE A 19 -1.073 -12.950 9.223 1.00 45.11 C ATOM 311 CD1 ILE A 19 1.834 -12.087 9.535 1.00 30.14 C ATOM 0 H ILE A 19 0.570 -11.103 6.044 1.00 21.03 H new ATOM 0 HA ILE A 19 -0.932 -13.489 6.611 1.00 32.24 H new ATOM 0 HB ILE A 19 -0.485 -11.065 8.397 1.00 53.42 H new ATOM 0 HG12 ILE A 19 1.327 -13.481 7.999 1.00 72.23 H new ATOM 0 HG13 ILE A 19 1.666 -11.862 7.418 1.00 72.23 H new ATOM 0 HG21 ILE A 19 -0.660 -12.737 10.209 1.00 45.11 H new ATOM 0 HG22 ILE A 19 -2.133 -12.695 9.211 1.00 45.11 H new ATOM 0 HG23 ILE A 19 -0.952 -14.010 9.000 1.00 45.11 H new ATOM 0 HD11 ILE A 19 2.896 -12.328 9.483 1.00 30.14 H new ATOM 0 HD12 ILE A 19 1.713 -11.024 9.742 1.00 30.14 H new ATOM 0 HD13 ILE A 19 1.369 -12.667 10.332 1.00 30.14 H new ATOM 323 N TYR A 20 -2.444 -10.597 6.220 1.00 43.14 N ATOM 324 CA TYR A 20 -3.735 -9.917 6.033 1.00 12.12 C ATOM 325 C TYR A 20 -3.761 -9.155 4.702 1.00 3.11 C ATOM 326 O TYR A 20 -2.735 -8.643 4.255 1.00 15.50 O ATOM 327 CB TYR A 20 -3.995 -8.923 7.176 1.00 11.51 C ATOM 328 CG TYR A 20 -4.186 -9.564 8.534 1.00 52.32 C ATOM 329 CD1 TYR A 20 -3.100 -9.870 9.341 1.00 51.50 C ATOM 330 CD2 TYR A 20 -5.458 -9.853 9.010 1.00 4.14 C ATOM 331 CE1 TYR A 20 -3.274 -10.445 10.582 1.00 32.24 C ATOM 332 CE2 TYR A 20 -5.641 -10.426 10.251 1.00 1.33 C ATOM 333 CZ TYR A 20 -4.546 -10.720 11.034 1.00 24.34 C ATOM 334 OH TYR A 20 -4.721 -11.293 12.275 1.00 51.34 O ATOM 0 H TYR A 20 -1.637 -10.017 5.990 1.00 43.14 H new ATOM 0 HA TYR A 20 -4.511 -10.682 6.030 1.00 12.12 H new ATOM 0 HB2 TYR A 20 -3.159 -8.226 7.232 1.00 11.51 H new ATOM 0 HB3 TYR A 20 -4.883 -8.337 6.937 1.00 11.51 H new ATOM 0 HD1 TYR A 20 -2.101 -9.654 8.991 1.00 51.50 H new ATOM 0 HD2 TYR A 20 -6.318 -9.625 8.398 1.00 4.14 H new ATOM 0 HE1 TYR A 20 -2.417 -10.679 11.197 1.00 32.24 H new ATOM 0 HE2 TYR A 20 -6.637 -10.643 10.607 1.00 1.33 H new ATOM 0 HH TYR A 20 -5.678 -11.421 12.444 1.00 51.34 H new ATOM 344 N LYS A 21 -4.929 -9.097 4.069 1.00 20.41 N ATOM 345 CA LYS A 21 -5.131 -8.248 2.887 1.00 15.44 C ATOM 346 C LYS A 21 -5.830 -6.932 3.280 1.00 1.42 C ATOM 347 O LYS A 21 -6.643 -6.909 4.206 1.00 63.33 O ATOM 348 CB LYS A 21 -5.957 -8.987 1.818 1.00 41.11 C ATOM 349 CG LYS A 21 -7.338 -9.442 2.293 1.00 3.42 C ATOM 350 CD LYS A 21 -8.139 -10.093 1.162 1.00 40.11 C ATOM 351 CE LYS A 21 -9.453 -10.689 1.659 1.00 11.15 C ATOM 352 NZ LYS A 21 -10.253 -11.273 0.547 1.00 3.11 N ATOM 0 H LYS A 21 -5.754 -9.626 4.351 1.00 20.41 H new ATOM 0 HA LYS A 21 -4.152 -8.014 2.468 1.00 15.44 H new ATOM 0 HB2 LYS A 21 -6.080 -8.333 0.954 1.00 41.11 H new ATOM 0 HB3 LYS A 21 -5.396 -9.859 1.481 1.00 41.11 H new ATOM 0 HG2 LYS A 21 -7.226 -10.150 3.114 1.00 3.42 H new ATOM 0 HG3 LYS A 21 -7.889 -8.586 2.683 1.00 3.42 H new ATOM 0 HD2 LYS A 21 -8.347 -9.351 0.391 1.00 40.11 H new ATOM 0 HD3 LYS A 21 -7.539 -10.876 0.697 1.00 40.11 H new ATOM 0 HE2 LYS A 21 -9.244 -11.460 2.400 1.00 11.15 H new ATOM 0 HE3 LYS A 21 -10.036 -9.916 2.159 1.00 11.15 H new ATOM 0 HZ1 LYS A 21 -11.138 -11.667 0.926 1.00 3.11 H new ATOM 0 HZ2 LYS A 21 -10.474 -10.532 -0.148 1.00 3.11 H new ATOM 0 HZ3 LYS A 21 -9.707 -12.028 0.086 1.00 3.11 H new ATOM 366 N PRO A 22 -5.521 -5.812 2.596 1.00 54.35 N ATOM 367 CA PRO A 22 -6.174 -4.525 2.858 1.00 3.52 C ATOM 368 C PRO A 22 -7.563 -4.427 2.202 1.00 11.42 C ATOM 369 O PRO A 22 -7.740 -4.780 1.033 1.00 32.43 O ATOM 370 CB PRO A 22 -5.210 -3.486 2.253 1.00 70.40 C ATOM 371 CG PRO A 22 -4.097 -4.259 1.602 1.00 74.01 C ATOM 372 CD PRO A 22 -4.526 -5.701 1.526 1.00 73.32 C ATOM 0 HA PRO A 22 -6.354 -4.376 3.923 1.00 3.52 H new ATOM 0 HB2 PRO A 22 -5.724 -2.859 1.524 1.00 70.40 H new ATOM 0 HB3 PRO A 22 -4.821 -2.823 3.026 1.00 70.40 H new ATOM 0 HG2 PRO A 22 -3.891 -3.868 0.606 1.00 74.01 H new ATOM 0 HG3 PRO A 22 -3.177 -4.163 2.178 1.00 74.01 H new ATOM 0 HD2 PRO A 22 -4.953 -5.943 0.553 1.00 73.32 H new ATOM 0 HD3 PRO A 22 -3.688 -6.379 1.684 1.00 73.32 H new ATOM 380 N GLN A 23 -8.543 -3.936 2.957 1.00 44.42 N ATOM 381 CA GLN A 23 -9.932 -3.865 2.485 1.00 24.33 C ATOM 382 C GLN A 23 -10.256 -2.495 1.866 1.00 71.14 C ATOM 383 O GLN A 23 -9.741 -1.467 2.303 1.00 13.12 O ATOM 384 CB GLN A 23 -10.894 -4.184 3.641 1.00 45.24 C ATOM 385 CG GLN A 23 -10.766 -5.617 4.155 1.00 70.41 C ATOM 386 CD GLN A 23 -11.635 -5.906 5.370 1.00 33.30 C ATOM 387 OE1 GLN A 23 -12.691 -5.311 5.560 1.00 51.10 O ATOM 388 NE2 GLN A 23 -11.201 -6.832 6.202 1.00 25.11 N ATOM 0 H GLN A 23 -8.404 -3.579 3.902 1.00 44.42 H new ATOM 0 HA GLN A 23 -10.060 -4.609 1.699 1.00 24.33 H new ATOM 0 HB2 GLN A 23 -10.706 -3.493 4.462 1.00 45.24 H new ATOM 0 HB3 GLN A 23 -11.918 -4.014 3.310 1.00 45.24 H new ATOM 0 HG2 GLN A 23 -11.033 -6.307 3.355 1.00 70.41 H new ATOM 0 HG3 GLN A 23 -9.724 -5.812 4.409 1.00 70.41 H new ATOM 0 HE21 GLN A 23 -10.319 -7.310 6.018 1.00 25.11 H new ATOM 0 HE22 GLN A 23 -11.747 -7.070 7.030 1.00 25.11 H new ATOM 397 N SER A 24 -11.118 -2.498 0.845 1.00 33.04 N ATOM 398 CA SER A 24 -11.442 -1.280 0.076 1.00 10.51 C ATOM 399 C SER A 24 -11.951 -0.129 0.960 1.00 10.53 C ATOM 400 O SER A 24 -12.876 -0.296 1.760 1.00 34.31 O ATOM 401 CB SER A 24 -12.487 -1.590 -1.005 1.00 41.54 C ATOM 402 OG SER A 24 -13.699 -2.070 -0.439 1.00 33.44 O ATOM 0 H SER A 24 -11.610 -3.333 0.526 1.00 33.04 H new ATOM 0 HA SER A 24 -10.510 -0.952 -0.385 1.00 10.51 H new ATOM 0 HB2 SER A 24 -12.688 -0.690 -1.586 1.00 41.54 H new ATOM 0 HB3 SER A 24 -12.088 -2.333 -1.695 1.00 41.54 H new ATOM 0 HG SER A 24 -13.792 -1.728 0.475 1.00 33.44 H new ATOM 408 N LYS A 25 -11.349 1.048 0.784 1.00 63.53 N ATOM 409 CA LYS A 25 -11.717 2.247 1.546 1.00 13.30 C ATOM 410 C LYS A 25 -12.268 3.339 0.611 1.00 72.03 C ATOM 411 O LYS A 25 -11.684 3.620 -0.435 1.00 43.15 O ATOM 412 CB LYS A 25 -10.492 2.785 2.304 1.00 22.42 C ATOM 413 CG LYS A 25 -9.810 1.776 3.241 1.00 10.44 C ATOM 414 CD LYS A 25 -10.463 1.695 4.626 1.00 60.41 C ATOM 415 CE LYS A 25 -11.816 0.988 4.611 1.00 21.43 C ATOM 416 NZ LYS A 25 -12.395 0.877 5.978 1.00 34.35 N ATOM 0 H LYS A 25 -10.596 1.199 0.113 1.00 63.53 H new ATOM 0 HA LYS A 25 -12.494 1.974 2.260 1.00 13.30 H new ATOM 0 HB2 LYS A 25 -9.759 3.135 1.577 1.00 22.42 H new ATOM 0 HB3 LYS A 25 -10.798 3.652 2.890 1.00 22.42 H new ATOM 0 HG2 LYS A 25 -9.832 0.789 2.779 1.00 10.44 H new ATOM 0 HG3 LYS A 25 -8.761 2.050 3.357 1.00 10.44 H new ATOM 0 HD2 LYS A 25 -9.793 1.170 5.307 1.00 60.41 H new ATOM 0 HD3 LYS A 25 -10.591 2.703 5.020 1.00 60.41 H new ATOM 0 HE2 LYS A 25 -12.505 1.535 3.967 1.00 21.43 H new ATOM 0 HE3 LYS A 25 -11.702 -0.008 4.182 1.00 21.43 H new ATOM 0 HZ1 LYS A 25 -13.313 0.392 5.928 1.00 34.35 H new ATOM 0 HZ2 LYS A 25 -11.749 0.334 6.586 1.00 34.35 H new ATOM 0 HZ3 LYS A 25 -12.528 1.828 6.377 1.00 34.35 H new ATOM 430 N LYS A 26 -13.393 3.948 0.985 1.00 4.41 N ATOM 431 CA LYS A 26 -14.012 4.998 0.161 1.00 4.11 C ATOM 432 C LYS A 26 -14.213 6.314 0.936 1.00 30.22 C ATOM 433 O LYS A 26 -14.908 6.356 1.955 1.00 50.13 O ATOM 434 CB LYS A 26 -15.337 4.490 -0.428 1.00 13.10 C ATOM 435 CG LYS A 26 -16.300 3.879 0.587 1.00 64.42 C ATOM 436 CD LYS A 26 -17.398 3.072 -0.110 1.00 72.55 C ATOM 437 CE LYS A 26 -16.810 1.909 -0.916 1.00 61.33 C ATOM 438 NZ LYS A 26 -17.840 1.204 -1.725 1.00 31.24 N ATOM 0 H LYS A 26 -13.896 3.737 1.847 1.00 4.41 H new ATOM 0 HA LYS A 26 -13.326 5.226 -0.655 1.00 4.11 H new ATOM 0 HB2 LYS A 26 -15.837 5.320 -0.928 1.00 13.10 H new ATOM 0 HB3 LYS A 26 -15.116 3.744 -1.192 1.00 13.10 H new ATOM 0 HG2 LYS A 26 -15.750 3.234 1.272 1.00 64.42 H new ATOM 0 HG3 LYS A 26 -16.751 4.670 1.187 1.00 64.42 H new ATOM 0 HD2 LYS A 26 -18.095 2.686 0.633 1.00 72.55 H new ATOM 0 HD3 LYS A 26 -17.967 3.725 -0.772 1.00 72.55 H new ATOM 0 HE2 LYS A 26 -16.028 2.286 -1.576 1.00 61.33 H new ATOM 0 HE3 LYS A 26 -16.338 1.200 -0.235 1.00 61.33 H new ATOM 0 HZ1 LYS A 26 -17.395 0.426 -2.252 1.00 31.24 H new ATOM 0 HZ2 LYS A 26 -18.573 0.820 -1.095 1.00 31.24 H new ATOM 0 HZ3 LYS A 26 -18.273 1.872 -2.394 1.00 31.24 H new ATOM 452 N VAL A 27 -13.594 7.389 0.432 1.00 21.14 N ATOM 453 CA VAL A 27 -13.628 8.709 1.086 1.00 74.51 C ATOM 454 C VAL A 27 -14.036 9.829 0.103 1.00 11.25 C ATOM 455 O VAL A 27 -14.253 9.581 -1.084 1.00 71.23 O ATOM 456 CB VAL A 27 -12.242 9.063 1.697 1.00 64.22 C ATOM 457 CG1 VAL A 27 -11.825 8.040 2.753 1.00 31.12 C ATOM 458 CG2 VAL A 27 -11.178 9.170 0.604 1.00 51.42 C ATOM 0 H VAL A 27 -13.058 7.372 -0.435 1.00 21.14 H new ATOM 0 HA VAL A 27 -14.376 8.644 1.876 1.00 74.51 H new ATOM 0 HB VAL A 27 -12.333 10.033 2.186 1.00 64.22 H new ATOM 0 HG11 VAL A 27 -10.852 8.315 3.161 1.00 31.12 H new ATOM 0 HG12 VAL A 27 -12.564 8.023 3.555 1.00 31.12 H new ATOM 0 HG13 VAL A 27 -11.761 7.052 2.297 1.00 31.12 H new ATOM 0 HG21 VAL A 27 -10.217 9.418 1.055 1.00 51.42 H new ATOM 0 HG22 VAL A 27 -11.098 8.218 0.080 1.00 51.42 H new ATOM 0 HG23 VAL A 27 -11.460 9.950 -0.103 1.00 51.42 H new ATOM 468 N LEU A 28 -14.150 11.060 0.611 1.00 10.23 N ATOM 469 CA LEU A 28 -14.422 12.237 -0.235 1.00 5.31 C ATOM 470 C LEU A 28 -13.117 12.938 -0.659 1.00 11.21 C ATOM 471 O LEU A 28 -12.076 12.786 -0.014 1.00 13.44 O ATOM 472 CB LEU A 28 -15.326 13.238 0.508 1.00 72.24 C ATOM 473 CG LEU A 28 -16.790 12.807 0.712 1.00 53.42 C ATOM 474 CD1 LEU A 28 -17.521 13.786 1.627 1.00 23.21 C ATOM 475 CD2 LEU A 28 -17.512 12.707 -0.630 1.00 13.32 C ATOM 0 H LEU A 28 -14.059 11.272 1.604 1.00 10.23 H new ATOM 0 HA LEU A 28 -14.932 11.885 -1.132 1.00 5.31 H new ATOM 0 HB2 LEU A 28 -14.887 13.436 1.486 1.00 72.24 H new ATOM 0 HB3 LEU A 28 -15.319 14.180 -0.041 1.00 72.24 H new ATOM 0 HG LEU A 28 -16.789 11.825 1.185 1.00 53.42 H new ATOM 0 HD11 LEU A 28 -18.553 13.461 1.757 1.00 23.21 H new ATOM 0 HD12 LEU A 28 -17.026 13.816 2.597 1.00 23.21 H new ATOM 0 HD13 LEU A 28 -17.507 14.781 1.181 1.00 23.21 H new ATOM 0 HD21 LEU A 28 -18.545 12.401 -0.465 1.00 13.32 H new ATOM 0 HD22 LEU A 28 -17.495 13.678 -1.125 1.00 13.32 H new ATOM 0 HD23 LEU A 28 -17.011 11.970 -1.258 1.00 13.32 H new ATOM 487 N GLU A 29 -13.184 13.710 -1.746 1.00 40.42 N ATOM 488 CA GLU A 29 -12.017 14.454 -2.246 1.00 41.02 C ATOM 489 C GLU A 29 -11.475 15.443 -1.198 1.00 51.12 C ATOM 490 O GLU A 29 -12.128 16.429 -0.868 1.00 3.04 O ATOM 491 CB GLU A 29 -12.371 15.220 -3.530 1.00 31.02 C ATOM 492 CG GLU A 29 -12.846 14.334 -4.673 1.00 13.21 C ATOM 493 CD GLU A 29 -13.048 15.113 -5.963 1.00 0.32 C ATOM 494 OE1 GLU A 29 -13.969 15.958 -6.013 1.00 53.41 O ATOM 495 OE2 GLU A 29 -12.289 14.881 -6.928 1.00 51.21 O ATOM 0 H GLU A 29 -14.031 13.839 -2.299 1.00 40.42 H new ATOM 0 HA GLU A 29 -11.241 13.719 -2.460 1.00 41.02 H new ATOM 0 HB2 GLU A 29 -13.149 15.949 -3.302 1.00 31.02 H new ATOM 0 HB3 GLU A 29 -11.496 15.780 -3.859 1.00 31.02 H new ATOM 0 HG2 GLU A 29 -12.118 13.540 -4.841 1.00 13.21 H new ATOM 0 HG3 GLU A 29 -13.783 13.853 -4.391 1.00 13.21 H new ATOM 502 N GLY A 30 -10.275 15.179 -0.685 1.00 2.34 N ATOM 503 CA GLY A 30 -9.667 16.059 0.313 1.00 34.55 C ATOM 504 C GLY A 30 -9.451 15.384 1.665 1.00 42.42 C ATOM 505 O GLY A 30 -8.851 15.971 2.571 1.00 24.21 O ATOM 0 H GLY A 30 -9.708 14.371 -0.940 1.00 2.34 H new ATOM 0 HA2 GLY A 30 -8.709 16.416 -0.064 1.00 34.55 H new ATOM 0 HA3 GLY A 30 -10.302 16.934 0.450 1.00 34.55 H new ATOM 509 N ASP A 31 -9.951 14.160 1.816 1.00 23.01 N ATOM 510 CA ASP A 31 -9.739 13.388 3.046 1.00 70.32 C ATOM 511 C ASP A 31 -8.485 12.507 2.947 1.00 32.43 C ATOM 512 O ASP A 31 -7.831 12.436 1.902 1.00 2.31 O ATOM 513 CB ASP A 31 -10.960 12.516 3.356 1.00 21.44 C ATOM 514 CG ASP A 31 -12.190 13.339 3.693 1.00 74.14 C ATOM 515 OD1 ASP A 31 -12.168 14.070 4.702 1.00 22.31 O ATOM 516 OD2 ASP A 31 -13.190 13.261 2.954 1.00 42.03 O ATOM 0 H ASP A 31 -10.505 13.679 1.107 1.00 23.01 H new ATOM 0 HA ASP A 31 -9.594 14.102 3.857 1.00 70.32 H new ATOM 0 HB2 ASP A 31 -11.176 11.880 2.497 1.00 21.44 H new ATOM 0 HB3 ASP A 31 -10.728 11.855 4.192 1.00 21.44 H new ATOM 521 N SER A 32 -8.158 11.842 4.049 1.00 63.51 N ATOM 522 CA SER A 32 -7.017 10.922 4.102 1.00 33.12 C ATOM 523 C SER A 32 -7.478 9.478 4.327 1.00 23.40 C ATOM 524 O SER A 32 -8.603 9.231 4.772 1.00 1.44 O ATOM 525 CB SER A 32 -6.047 11.333 5.219 1.00 62.44 C ATOM 526 OG SER A 32 -5.479 12.611 4.974 1.00 70.12 O ATOM 0 H SER A 32 -8.669 11.921 4.928 1.00 63.51 H new ATOM 0 HA SER A 32 -6.505 10.976 3.141 1.00 33.12 H new ATOM 0 HB2 SER A 32 -6.574 11.345 6.173 1.00 62.44 H new ATOM 0 HB3 SER A 32 -5.253 10.591 5.303 1.00 62.44 H new ATOM 0 HG SER A 32 -4.868 12.843 5.704 1.00 70.12 H new ATOM 532 N VAL A 33 -6.607 8.528 4.012 1.00 22.31 N ATOM 533 CA VAL A 33 -6.903 7.107 4.188 1.00 31.05 C ATOM 534 C VAL A 33 -5.623 6.308 4.475 1.00 11.23 C ATOM 535 O VAL A 33 -4.521 6.727 4.105 1.00 34.53 O ATOM 536 CB VAL A 33 -7.591 6.524 2.927 1.00 21.22 C ATOM 537 CG1 VAL A 33 -6.632 6.514 1.736 1.00 0.25 C ATOM 538 CG2 VAL A 33 -8.134 5.125 3.202 1.00 53.43 C ATOM 0 H VAL A 33 -5.680 8.716 3.629 1.00 22.31 H new ATOM 0 HA VAL A 33 -7.578 7.021 5.040 1.00 31.05 H new ATOM 0 HB VAL A 33 -8.433 7.169 2.674 1.00 21.22 H new ATOM 0 HG11 VAL A 33 -7.139 6.100 0.864 1.00 0.25 H new ATOM 0 HG12 VAL A 33 -6.310 7.533 1.519 1.00 0.25 H new ATOM 0 HG13 VAL A 33 -5.762 5.902 1.974 1.00 0.25 H new ATOM 0 HG21 VAL A 33 -8.612 4.737 2.303 1.00 53.43 H new ATOM 0 HG22 VAL A 33 -7.314 4.467 3.490 1.00 53.43 H new ATOM 0 HG23 VAL A 33 -8.864 5.170 4.010 1.00 53.43 H new ATOM 548 N LYS A 34 -5.765 5.162 5.137 1.00 25.44 N ATOM 549 CA LYS A 34 -4.632 4.264 5.371 1.00 63.11 C ATOM 550 C LYS A 34 -4.966 2.813 4.979 1.00 34.00 C ATOM 551 O LYS A 34 -5.869 2.187 5.546 1.00 65.44 O ATOM 552 CB LYS A 34 -4.185 4.334 6.839 1.00 43.00 C ATOM 553 CG LYS A 34 -5.307 4.117 7.849 1.00 62.02 C ATOM 554 CD LYS A 34 -4.779 4.084 9.281 1.00 65.13 C ATOM 555 CE LYS A 34 -5.912 3.991 10.296 1.00 64.23 C ATOM 556 NZ LYS A 34 -6.783 2.810 10.057 1.00 11.30 N ATOM 0 H LYS A 34 -6.651 4.832 5.521 1.00 25.44 H new ATOM 0 HA LYS A 34 -3.811 4.597 4.736 1.00 63.11 H new ATOM 0 HB2 LYS A 34 -3.411 3.585 7.007 1.00 43.00 H new ATOM 0 HB3 LYS A 34 -3.731 5.308 7.022 1.00 43.00 H new ATOM 0 HG2 LYS A 34 -6.044 4.914 7.751 1.00 62.02 H new ATOM 0 HG3 LYS A 34 -5.819 3.181 7.628 1.00 62.02 H new ATOM 0 HD2 LYS A 34 -4.110 3.232 9.403 1.00 65.13 H new ATOM 0 HD3 LYS A 34 -4.191 4.981 9.473 1.00 65.13 H new ATOM 0 HE2 LYS A 34 -5.494 3.935 11.301 1.00 64.23 H new ATOM 0 HE3 LYS A 34 -6.513 4.899 10.251 1.00 64.23 H new ATOM 0 HZ1 LYS A 34 -7.421 2.679 10.868 1.00 11.30 H new ATOM 0 HZ2 LYS A 34 -7.345 2.962 9.196 1.00 11.30 H new ATOM 0 HZ3 LYS A 34 -6.193 1.962 9.940 1.00 11.30 H new ATOM 570 N LEU A 35 -4.230 2.291 4.003 1.00 2.22 N ATOM 571 CA LEU A 35 -4.341 0.883 3.598 1.00 64.14 C ATOM 572 C LEU A 35 -3.274 0.056 4.331 1.00 42.25 C ATOM 573 O LEU A 35 -2.080 0.224 4.086 1.00 71.53 O ATOM 574 CB LEU A 35 -4.161 0.762 2.076 1.00 21.31 C ATOM 575 CG LEU A 35 -5.182 1.542 1.229 1.00 21.01 C ATOM 576 CD1 LEU A 35 -4.846 1.447 -0.258 1.00 51.11 C ATOM 577 CD2 LEU A 35 -6.602 1.043 1.493 1.00 54.34 C ATOM 0 H LEU A 35 -3.542 2.823 3.470 1.00 2.22 H new ATOM 0 HA LEU A 35 -5.328 0.503 3.862 1.00 64.14 H new ATOM 0 HB2 LEU A 35 -3.160 1.106 1.817 1.00 21.31 H new ATOM 0 HB3 LEU A 35 -4.216 -0.292 1.803 1.00 21.31 H new ATOM 0 HG LEU A 35 -5.128 2.590 1.522 1.00 21.01 H new ATOM 0 HD11 LEU A 35 -5.583 2.007 -0.834 1.00 51.11 H new ATOM 0 HD12 LEU A 35 -3.855 1.864 -0.434 1.00 51.11 H new ATOM 0 HD13 LEU A 35 -4.860 0.402 -0.568 1.00 51.11 H new ATOM 0 HD21 LEU A 35 -7.306 1.609 0.883 1.00 54.34 H new ATOM 0 HD22 LEU A 35 -6.669 -0.014 1.238 1.00 54.34 H new ATOM 0 HD23 LEU A 35 -6.845 1.178 2.547 1.00 54.34 H new ATOM 589 N GLU A 36 -3.697 -0.841 5.221 1.00 1.40 N ATOM 590 CA GLU A 36 -2.757 -1.501 6.143 1.00 13.24 C ATOM 591 C GLU A 36 -2.890 -3.036 6.155 1.00 64.14 C ATOM 592 O GLU A 36 -3.996 -3.584 6.146 1.00 72.35 O ATOM 593 CB GLU A 36 -2.958 -0.938 7.556 1.00 74.23 C ATOM 594 CG GLU A 36 -4.371 -1.129 8.101 1.00 42.42 C ATOM 595 CD GLU A 36 -4.621 -0.330 9.367 1.00 45.24 C ATOM 596 OE1 GLU A 36 -3.828 -0.457 10.321 1.00 22.34 O ATOM 597 OE2 GLU A 36 -5.616 0.422 9.418 1.00 1.14 O ATOM 0 H GLU A 36 -4.670 -1.128 5.327 1.00 1.40 H new ATOM 0 HA GLU A 36 -1.749 -1.288 5.786 1.00 13.24 H new ATOM 0 HB2 GLU A 36 -2.250 -1.418 8.232 1.00 74.23 H new ATOM 0 HB3 GLU A 36 -2.722 0.126 7.550 1.00 74.23 H new ATOM 0 HG2 GLU A 36 -5.093 -0.833 7.340 1.00 42.42 H new ATOM 0 HG3 GLU A 36 -4.538 -2.187 8.304 1.00 42.42 H new ATOM 604 N CYS A 37 -1.743 -3.717 6.193 1.00 12.44 N ATOM 605 CA CYS A 37 -1.689 -5.188 6.234 1.00 73.23 C ATOM 606 C CYS A 37 -0.440 -5.678 6.988 1.00 63.21 C ATOM 607 O CYS A 37 0.443 -4.890 7.329 1.00 70.55 O ATOM 608 CB CYS A 37 -1.683 -5.757 4.810 1.00 21.03 C ATOM 609 SG CYS A 37 -0.252 -5.263 3.815 1.00 73.31 S ATOM 0 H CYS A 37 -0.826 -3.271 6.196 1.00 12.44 H new ATOM 0 HA CYS A 37 -2.574 -5.540 6.764 1.00 73.23 H new ATOM 0 HB2 CYS A 37 -1.713 -6.845 4.866 1.00 21.03 H new ATOM 0 HB3 CYS A 37 -2.592 -5.439 4.300 1.00 21.03 H new ATOM 0 HG CYS A 37 -0.525 -5.421 2.554 1.00 73.31 H new ATOM 615 N GLN A 38 -0.374 -6.982 7.254 1.00 61.10 N ATOM 616 CA GLN A 38 0.786 -7.586 7.933 1.00 13.15 C ATOM 617 C GLN A 38 1.596 -8.471 6.969 1.00 74.20 C ATOM 618 O GLN A 38 1.042 -9.367 6.328 1.00 1.23 O ATOM 619 CB GLN A 38 0.325 -8.430 9.131 1.00 24.42 C ATOM 620 CG GLN A 38 -0.301 -7.628 10.274 1.00 3.21 C ATOM 621 CD GLN A 38 0.696 -6.757 11.028 1.00 40.55 C ATOM 622 OE1 GLN A 38 0.347 -5.701 11.544 1.00 54.44 O ATOM 623 NE2 GLN A 38 1.938 -7.196 11.117 1.00 14.43 N ATOM 0 H GLN A 38 -1.109 -7.647 7.012 1.00 61.10 H new ATOM 0 HA GLN A 38 1.424 -6.774 8.282 1.00 13.15 H new ATOM 0 HB2 GLN A 38 -0.399 -9.166 8.782 1.00 24.42 H new ATOM 0 HB3 GLN A 38 1.180 -8.983 9.519 1.00 24.42 H new ATOM 0 HG2 GLN A 38 -1.092 -6.995 9.871 1.00 3.21 H new ATOM 0 HG3 GLN A 38 -0.771 -8.318 10.975 1.00 3.21 H new ATOM 0 HE21 GLN A 38 2.200 -8.078 10.678 1.00 14.43 H new ATOM 0 HE22 GLN A 38 2.636 -6.653 11.625 1.00 14.43 H new ATOM 632 N ILE A 39 2.903 -8.217 6.873 1.00 51.45 N ATOM 633 CA ILE A 39 3.805 -9.025 6.039 1.00 34.34 C ATOM 634 C ILE A 39 4.998 -9.547 6.857 1.00 23.11 C ATOM 635 O ILE A 39 5.785 -8.766 7.393 1.00 5.35 O ATOM 636 CB ILE A 39 4.352 -8.213 4.832 1.00 42.45 C ATOM 637 CG1 ILE A 39 3.200 -7.693 3.959 1.00 52.34 C ATOM 638 CG2 ILE A 39 5.316 -9.065 4.002 1.00 4.24 C ATOM 639 CD1 ILE A 39 3.660 -6.879 2.765 1.00 60.51 C ATOM 0 H ILE A 39 3.366 -7.453 7.365 1.00 51.45 H new ATOM 0 HA ILE A 39 3.216 -9.864 5.670 1.00 34.34 H new ATOM 0 HB ILE A 39 4.900 -7.354 5.219 1.00 42.45 H new ATOM 0 HG12 ILE A 39 2.613 -8.540 3.605 1.00 52.34 H new ATOM 0 HG13 ILE A 39 2.539 -7.081 4.572 1.00 52.34 H new ATOM 0 HG21 ILE A 39 5.688 -8.479 3.162 1.00 4.24 H new ATOM 0 HG22 ILE A 39 6.154 -9.378 4.625 1.00 4.24 H new ATOM 0 HG23 ILE A 39 4.793 -9.945 3.627 1.00 4.24 H new ATOM 0 HD11 ILE A 39 2.792 -6.546 2.196 1.00 60.51 H new ATOM 0 HD12 ILE A 39 4.222 -6.011 3.111 1.00 60.51 H new ATOM 0 HD13 ILE A 39 4.297 -7.494 2.129 1.00 60.51 H new ATOM 651 N SER A 40 5.134 -10.868 6.944 1.00 32.31 N ATOM 652 CA SER A 40 6.247 -11.479 7.690 1.00 12.23 C ATOM 653 C SER A 40 7.432 -11.799 6.766 1.00 70.31 C ATOM 654 O SER A 40 7.400 -12.772 6.009 1.00 33.33 O ATOM 655 CB SER A 40 5.778 -12.762 8.393 1.00 14.04 C ATOM 656 OG SER A 40 6.861 -13.444 9.011 1.00 1.41 O ATOM 0 H SER A 40 4.496 -11.537 6.513 1.00 32.31 H new ATOM 0 HA SER A 40 6.580 -10.758 8.436 1.00 12.23 H new ATOM 0 HB2 SER A 40 5.028 -12.513 9.144 1.00 14.04 H new ATOM 0 HB3 SER A 40 5.298 -13.420 7.669 1.00 14.04 H new ATOM 0 HG SER A 40 6.529 -14.255 9.450 1.00 1.41 H new ATOM 662 N ALA A 41 8.461 -10.951 6.810 1.00 11.05 N ATOM 663 CA ALA A 41 9.693 -11.162 6.031 1.00 65.23 C ATOM 664 C ALA A 41 10.951 -10.943 6.884 1.00 55.34 C ATOM 665 O ALA A 41 10.939 -10.150 7.825 1.00 61.40 O ATOM 666 CB ALA A 41 9.714 -10.238 4.819 1.00 34.13 C ATOM 0 H ALA A 41 8.470 -10.105 7.379 1.00 11.05 H new ATOM 0 HA ALA A 41 9.697 -12.199 5.695 1.00 65.23 H new ATOM 0 HB1 ALA A 41 10.630 -10.403 4.251 1.00 34.13 H new ATOM 0 HB2 ALA A 41 8.852 -10.448 4.186 1.00 34.13 H new ATOM 0 HB3 ALA A 41 9.676 -9.201 5.152 1.00 34.13 H new ATOM 672 N ILE A 42 12.035 -11.647 6.549 1.00 54.13 N ATOM 673 CA ILE A 42 13.340 -11.437 7.199 1.00 51.44 C ATOM 674 C ILE A 42 14.480 -11.498 6.164 1.00 12.21 C ATOM 675 O ILE A 42 14.743 -12.558 5.591 1.00 21.34 O ATOM 676 CB ILE A 42 13.619 -12.491 8.308 1.00 71.24 C ATOM 677 CG1 ILE A 42 12.521 -12.459 9.388 1.00 23.11 C ATOM 678 CG2 ILE A 42 14.998 -12.259 8.936 1.00 74.51 C ATOM 679 CD1 ILE A 42 12.718 -13.474 10.495 1.00 62.41 C ATOM 0 H ILE A 42 12.039 -12.370 5.830 1.00 54.13 H new ATOM 0 HA ILE A 42 13.302 -10.449 7.658 1.00 51.44 H new ATOM 0 HB ILE A 42 13.610 -13.478 7.846 1.00 71.24 H new ATOM 0 HG12 ILE A 42 12.485 -11.461 9.826 1.00 23.11 H new ATOM 0 HG13 ILE A 42 11.555 -12.635 8.915 1.00 23.11 H new ATOM 0 HG21 ILE A 42 15.176 -13.006 9.710 1.00 74.51 H new ATOM 0 HG22 ILE A 42 15.766 -12.343 8.168 1.00 74.51 H new ATOM 0 HG23 ILE A 42 15.034 -11.263 9.378 1.00 74.51 H new ATOM 0 HD11 ILE A 42 11.905 -13.389 11.216 1.00 62.41 H new ATOM 0 HD12 ILE A 42 12.724 -14.478 10.071 1.00 62.41 H new ATOM 0 HD13 ILE A 42 13.668 -13.286 10.996 1.00 62.41 H new ATOM 691 N PRO A 43 15.161 -10.366 5.873 1.00 52.11 N ATOM 692 CA PRO A 43 14.844 -9.040 6.449 1.00 32.42 C ATOM 693 C PRO A 43 13.624 -8.366 5.775 1.00 42.01 C ATOM 694 O PRO A 43 13.065 -8.905 4.817 1.00 20.42 O ATOM 695 CB PRO A 43 16.127 -8.248 6.168 1.00 45.23 C ATOM 696 CG PRO A 43 16.657 -8.837 4.906 1.00 43.21 C ATOM 697 CD PRO A 43 16.320 -10.305 4.959 1.00 33.43 C ATOM 0 HA PRO A 43 14.569 -9.098 7.502 1.00 32.42 H new ATOM 0 HB2 PRO A 43 15.920 -7.184 6.054 1.00 45.23 H new ATOM 0 HB3 PRO A 43 16.842 -8.348 6.984 1.00 45.23 H new ATOM 0 HG2 PRO A 43 16.204 -8.364 4.034 1.00 43.21 H new ATOM 0 HG3 PRO A 43 17.734 -8.686 4.827 1.00 43.21 H new ATOM 0 HD2 PRO A 43 16.072 -10.695 3.972 1.00 33.43 H new ATOM 0 HD3 PRO A 43 17.157 -10.895 5.334 1.00 33.43 H new ATOM 705 N PRO A 44 13.174 -7.193 6.287 1.00 51.41 N ATOM 706 CA PRO A 44 12.078 -6.417 5.663 1.00 4.41 C ATOM 707 C PRO A 44 12.266 -6.214 4.144 1.00 21.34 C ATOM 708 O PRO A 44 13.356 -5.867 3.684 1.00 11.51 O ATOM 709 CB PRO A 44 12.141 -5.075 6.405 1.00 74.55 C ATOM 710 CG PRO A 44 12.687 -5.421 7.750 1.00 43.34 C ATOM 711 CD PRO A 44 13.668 -6.542 7.520 1.00 2.04 C ATOM 0 HA PRO A 44 11.119 -6.929 5.747 1.00 4.41 H new ATOM 0 HB2 PRO A 44 12.784 -4.364 5.886 1.00 74.55 H new ATOM 0 HB3 PRO A 44 11.155 -4.617 6.482 1.00 74.55 H new ATOM 0 HG2 PRO A 44 13.177 -4.561 8.206 1.00 43.34 H new ATOM 0 HG3 PRO A 44 11.891 -5.731 8.427 1.00 43.34 H new ATOM 0 HD2 PRO A 44 14.683 -6.166 7.395 1.00 2.04 H new ATOM 0 HD3 PRO A 44 13.686 -7.237 8.360 1.00 2.04 H new ATOM 719 N PRO A 45 11.196 -6.422 3.343 1.00 24.35 N ATOM 720 CA PRO A 45 11.271 -6.355 1.879 1.00 54.32 C ATOM 721 C PRO A 45 10.986 -4.954 1.304 1.00 43.21 C ATOM 722 O PRO A 45 10.506 -4.058 2.004 1.00 63.54 O ATOM 723 CB PRO A 45 10.169 -7.336 1.476 1.00 75.33 C ATOM 724 CG PRO A 45 9.112 -7.160 2.519 1.00 53.35 C ATOM 725 CD PRO A 45 9.825 -6.743 3.793 1.00 31.42 C ATOM 0 HA PRO A 45 12.268 -6.586 1.503 1.00 54.32 H new ATOM 0 HB2 PRO A 45 9.785 -7.114 0.480 1.00 75.33 H new ATOM 0 HB3 PRO A 45 10.539 -8.361 1.454 1.00 75.33 H new ATOM 0 HG2 PRO A 45 8.389 -6.403 2.214 1.00 53.35 H new ATOM 0 HG3 PRO A 45 8.559 -8.087 2.670 1.00 53.35 H new ATOM 0 HD2 PRO A 45 9.344 -5.881 4.256 1.00 31.42 H new ATOM 0 HD3 PRO A 45 9.824 -7.544 4.532 1.00 31.42 H new ATOM 733 N LYS A 46 11.290 -4.778 0.018 1.00 22.00 N ATOM 734 CA LYS A 46 10.982 -3.532 -0.693 1.00 74.30 C ATOM 735 C LYS A 46 9.520 -3.545 -1.176 1.00 33.23 C ATOM 736 O LYS A 46 9.059 -4.531 -1.757 1.00 73.13 O ATOM 737 CB LYS A 46 11.938 -3.353 -1.882 1.00 74.14 C ATOM 738 CG LYS A 46 11.794 -2.019 -2.611 1.00 11.24 C ATOM 739 CD LYS A 46 12.141 -0.828 -1.716 1.00 14.40 C ATOM 740 CE LYS A 46 12.039 0.494 -2.470 1.00 65.33 C ATOM 741 NZ LYS A 46 12.299 1.662 -1.586 1.00 53.45 N ATOM 0 H LYS A 46 11.751 -5.484 -0.556 1.00 22.00 H new ATOM 0 HA LYS A 46 11.115 -2.693 -0.010 1.00 74.30 H new ATOM 0 HB2 LYS A 46 12.964 -3.450 -1.526 1.00 74.14 H new ATOM 0 HB3 LYS A 46 11.770 -4.162 -2.593 1.00 74.14 H new ATOM 0 HG2 LYS A 46 12.443 -2.014 -3.487 1.00 11.24 H new ATOM 0 HG3 LYS A 46 10.771 -1.913 -2.972 1.00 11.24 H new ATOM 0 HD2 LYS A 46 11.469 -0.810 -0.858 1.00 14.40 H new ATOM 0 HD3 LYS A 46 13.152 -0.948 -1.327 1.00 14.40 H new ATOM 0 HE2 LYS A 46 12.753 0.497 -3.294 1.00 65.33 H new ATOM 0 HE3 LYS A 46 11.045 0.585 -2.908 1.00 65.33 H new ATOM 0 HZ1 LYS A 46 12.220 2.540 -2.138 1.00 53.45 H new ATOM 0 HZ2 LYS A 46 11.603 1.675 -0.814 1.00 53.45 H new ATOM 0 HZ3 LYS A 46 13.257 1.589 -1.187 1.00 53.45 H new ATOM 755 N LEU A 47 8.797 -2.450 -0.935 1.00 2.31 N ATOM 756 CA LEU A 47 7.354 -2.386 -1.215 1.00 62.44 C ATOM 757 C LEU A 47 7.049 -1.589 -2.495 1.00 41.42 C ATOM 758 O LEU A 47 7.356 -0.400 -2.584 1.00 62.00 O ATOM 759 CB LEU A 47 6.636 -1.737 -0.023 1.00 64.43 C ATOM 760 CG LEU A 47 6.889 -2.407 1.339 1.00 54.40 C ATOM 761 CD1 LEU A 47 6.302 -1.572 2.473 1.00 22.12 C ATOM 762 CD2 LEU A 47 6.319 -3.825 1.359 1.00 13.44 C ATOM 0 H LEU A 47 9.185 -1.591 -0.545 1.00 2.31 H new ATOM 0 HA LEU A 47 6.997 -3.404 -1.368 1.00 62.44 H new ATOM 0 HB2 LEU A 47 6.943 -0.693 0.041 1.00 64.43 H new ATOM 0 HB3 LEU A 47 5.564 -1.742 -0.219 1.00 64.43 H new ATOM 0 HG LEU A 47 7.967 -2.471 1.489 1.00 54.40 H new ATOM 0 HD11 LEU A 47 6.494 -2.066 3.426 1.00 22.12 H new ATOM 0 HD12 LEU A 47 6.766 -0.586 2.476 1.00 22.12 H new ATOM 0 HD13 LEU A 47 5.227 -1.467 2.329 1.00 22.12 H new ATOM 0 HD21 LEU A 47 6.509 -4.280 2.331 1.00 13.44 H new ATOM 0 HD22 LEU A 47 5.244 -3.788 1.180 1.00 13.44 H new ATOM 0 HD23 LEU A 47 6.796 -4.420 0.580 1.00 13.44 H new ATOM 774 N PHE A 48 6.436 -2.246 -3.478 1.00 60.43 N ATOM 775 CA PHE A 48 6.033 -1.581 -4.728 1.00 21.30 C ATOM 776 C PHE A 48 4.507 -1.460 -4.829 1.00 65.35 C ATOM 777 O PHE A 48 3.781 -2.407 -4.537 1.00 12.33 O ATOM 778 CB PHE A 48 6.572 -2.350 -5.942 1.00 22.43 C ATOM 779 CG PHE A 48 8.078 -2.380 -6.012 1.00 44.14 C ATOM 780 CD1 PHE A 48 8.776 -1.351 -6.625 1.00 14.15 C ATOM 781 CD2 PHE A 48 8.794 -3.429 -5.454 1.00 44.14 C ATOM 782 CE1 PHE A 48 10.156 -1.369 -6.681 1.00 40.14 C ATOM 783 CE2 PHE A 48 10.174 -3.451 -5.511 1.00 61.22 C ATOM 784 CZ PHE A 48 10.856 -2.420 -6.123 1.00 13.35 C ATOM 0 H PHE A 48 6.205 -3.239 -3.438 1.00 60.43 H new ATOM 0 HA PHE A 48 6.458 -0.577 -4.719 1.00 21.30 H new ATOM 0 HB2 PHE A 48 6.197 -3.373 -5.911 1.00 22.43 H new ATOM 0 HB3 PHE A 48 6.182 -1.895 -6.853 1.00 22.43 H new ATOM 0 HD1 PHE A 48 8.235 -0.526 -7.064 1.00 14.15 H new ATOM 0 HD2 PHE A 48 8.267 -4.237 -4.970 1.00 44.14 H new ATOM 0 HE1 PHE A 48 10.687 -0.561 -7.161 1.00 40.14 H new ATOM 0 HE2 PHE A 48 10.719 -4.276 -5.076 1.00 61.22 H new ATOM 0 HZ PHE A 48 11.935 -2.435 -6.166 1.00 13.35 H new ATOM 794 N TRP A 49 4.028 -0.289 -5.249 1.00 23.31 N ATOM 795 CA TRP A 49 2.587 -0.043 -5.416 1.00 40.50 C ATOM 796 C TRP A 49 2.269 0.526 -6.808 1.00 61.12 C ATOM 797 O TRP A 49 2.872 1.510 -7.238 1.00 24.22 O ATOM 798 CB TRP A 49 2.083 0.939 -4.344 1.00 71.22 C ATOM 799 CG TRP A 49 2.096 0.395 -2.943 1.00 73.32 C ATOM 800 CD1 TRP A 49 3.172 0.284 -2.110 1.00 45.42 C ATOM 801 CD2 TRP A 49 0.970 -0.096 -2.205 1.00 31.03 C ATOM 802 NE1 TRP A 49 2.784 -0.249 -0.906 1.00 43.31 N ATOM 803 CE2 TRP A 49 1.437 -0.488 -0.938 1.00 62.33 C ATOM 804 CE3 TRP A 49 -0.388 -0.240 -2.498 1.00 60.24 C ATOM 805 CZ2 TRP A 49 0.593 -1.015 0.037 1.00 61.03 C ATOM 806 CZ3 TRP A 49 -1.226 -0.763 -1.531 1.00 44.24 C ATOM 807 CH2 TRP A 49 -0.734 -1.145 -0.276 1.00 63.51 C ATOM 0 H TRP A 49 4.617 0.511 -5.482 1.00 23.31 H new ATOM 0 HA TRP A 49 2.080 -1.002 -5.307 1.00 40.50 H new ATOM 0 HB2 TRP A 49 2.697 1.839 -4.376 1.00 71.22 H new ATOM 0 HB3 TRP A 49 1.065 1.239 -4.594 1.00 71.22 H new ATOM 0 HD1 TRP A 49 4.182 0.573 -2.362 1.00 45.42 H new ATOM 0 HE1 TRP A 49 3.400 -0.437 -0.115 1.00 43.31 H new ATOM 0 HE3 TRP A 49 -0.776 0.052 -3.463 1.00 60.24 H new ATOM 0 HZ2 TRP A 49 0.971 -1.310 1.005 1.00 61.03 H new ATOM 0 HZ3 TRP A 49 -2.278 -0.879 -1.747 1.00 44.24 H new ATOM 0 HH2 TRP A 49 -1.414 -1.550 0.459 1.00 63.51 H new ATOM 818 N LYS A 50 1.322 -0.092 -7.509 1.00 65.11 N ATOM 819 CA LYS A 50 0.821 0.449 -8.781 1.00 60.20 C ATOM 820 C LYS A 50 -0.694 0.672 -8.710 1.00 11.11 C ATOM 821 O LYS A 50 -1.442 -0.229 -8.343 1.00 64.15 O ATOM 822 CB LYS A 50 1.153 -0.493 -9.950 1.00 62.25 C ATOM 823 CG LYS A 50 0.650 0.001 -11.306 1.00 22.53 C ATOM 824 CD LYS A 50 0.864 -1.017 -12.432 1.00 51.41 C ATOM 825 CE LYS A 50 2.330 -1.423 -12.598 1.00 14.00 C ATOM 826 NZ LYS A 50 2.738 -2.501 -11.651 1.00 54.31 N ATOM 0 H LYS A 50 0.883 -0.967 -7.223 1.00 65.11 H new ATOM 0 HA LYS A 50 1.315 1.405 -8.954 1.00 60.20 H new ATOM 0 HB2 LYS A 50 2.234 -0.626 -10.001 1.00 62.25 H new ATOM 0 HB3 LYS A 50 0.720 -1.473 -9.748 1.00 62.25 H new ATOM 0 HG2 LYS A 50 -0.412 0.233 -11.231 1.00 22.53 H new ATOM 0 HG3 LYS A 50 1.162 0.929 -11.561 1.00 22.53 H new ATOM 0 HD2 LYS A 50 0.267 -1.906 -12.229 1.00 51.41 H new ATOM 0 HD3 LYS A 50 0.501 -0.596 -13.369 1.00 51.41 H new ATOM 0 HE2 LYS A 50 2.496 -1.761 -13.621 1.00 14.00 H new ATOM 0 HE3 LYS A 50 2.964 -0.550 -12.444 1.00 14.00 H new ATOM 0 HZ1 LYS A 50 3.478 -2.142 -11.014 1.00 54.31 H new ATOM 0 HZ2 LYS A 50 1.915 -2.801 -11.091 1.00 54.31 H new ATOM 0 HZ3 LYS A 50 3.107 -3.313 -12.187 1.00 54.31 H new ATOM 840 N ARG A 51 -1.139 1.868 -9.067 1.00 31.34 N ATOM 841 CA ARG A 51 -2.562 2.209 -9.037 1.00 44.45 C ATOM 842 C ARG A 51 -3.115 2.413 -10.447 1.00 63.35 C ATOM 843 O ARG A 51 -2.724 3.357 -11.124 1.00 4.31 O ATOM 844 CB ARG A 51 -2.773 3.502 -8.247 1.00 52.32 C ATOM 845 CG ARG A 51 -4.214 4.005 -8.269 1.00 41.25 C ATOM 846 CD ARG A 51 -4.316 5.452 -7.808 1.00 24.41 C ATOM 847 NE ARG A 51 -3.671 6.375 -8.743 1.00 13.54 N ATOM 848 CZ ARG A 51 -3.251 7.565 -8.422 1.00 31.12 C ATOM 849 NH1 ARG A 51 -3.298 7.972 -7.192 1.00 65.51 N ATOM 850 NH2 ARG A 51 -2.774 8.346 -9.332 1.00 63.44 N ATOM 0 H ARG A 51 -0.534 2.626 -9.383 1.00 31.34 H new ATOM 0 HA ARG A 51 -3.087 1.380 -8.563 1.00 44.45 H new ATOM 0 HB2 ARG A 51 -2.470 3.339 -7.213 1.00 52.32 H new ATOM 0 HB3 ARG A 51 -2.121 4.276 -8.652 1.00 52.32 H new ATOM 0 HG2 ARG A 51 -4.614 3.916 -9.279 1.00 41.25 H new ATOM 0 HG3 ARG A 51 -4.829 3.375 -7.626 1.00 41.25 H new ATOM 0 HD2 ARG A 51 -5.366 5.724 -7.698 1.00 24.41 H new ATOM 0 HD3 ARG A 51 -3.856 5.552 -6.825 1.00 24.41 H new ATOM 0 HE ARG A 51 -3.542 6.067 -9.707 1.00 13.54 H new ATOM 0 HH11 ARG A 51 -3.666 7.358 -6.465 1.00 65.51 H new ATOM 0 HH12 ARG A 51 -2.966 8.906 -6.951 1.00 65.51 H new ATOM 0 HH21 ARG A 51 -2.726 8.031 -10.301 1.00 63.44 H new ATOM 0 HH22 ARG A 51 -2.445 9.278 -9.082 1.00 63.44 H new ATOM 864 N ASN A 52 -4.029 1.545 -10.875 1.00 23.44 N ATOM 865 CA ASN A 52 -4.763 1.758 -12.132 1.00 64.04 C ATOM 866 C ASN A 52 -3.794 2.030 -13.311 1.00 10.23 C ATOM 867 O ASN A 52 -3.947 3.000 -14.056 1.00 32.45 O ATOM 868 CB ASN A 52 -5.751 2.920 -11.918 1.00 64.45 C ATOM 869 CG ASN A 52 -6.738 3.118 -13.053 1.00 14.11 C ATOM 870 OD1 ASN A 52 -7.042 2.206 -13.812 1.00 62.03 O ATOM 871 ND2 ASN A 52 -7.280 4.314 -13.142 1.00 61.03 N ATOM 0 H ASN A 52 -4.282 0.691 -10.378 1.00 23.44 H new ATOM 0 HA ASN A 52 -5.316 0.858 -12.399 1.00 64.04 H new ATOM 0 HB2 ASN A 52 -6.306 2.745 -10.996 1.00 64.45 H new ATOM 0 HB3 ASN A 52 -5.185 3.841 -11.779 1.00 64.45 H new ATOM 0 HD21 ASN A 52 -7.978 4.505 -13.861 1.00 61.03 H new ATOM 0 HD22 ASN A 52 -7.002 5.049 -12.492 1.00 61.03 H new ATOM 878 N ASN A 53 -2.786 1.152 -13.442 1.00 23.34 N ATOM 879 CA ASN A 53 -1.751 1.239 -14.495 1.00 35.05 C ATOM 880 C ASN A 53 -0.698 2.336 -14.214 1.00 1.14 C ATOM 881 O ASN A 53 0.264 2.491 -14.972 1.00 4.01 O ATOM 882 CB ASN A 53 -2.377 1.447 -15.889 1.00 63.34 C ATOM 883 CG ASN A 53 -3.302 0.310 -16.297 1.00 13.41 C ATOM 884 OD1 ASN A 53 -3.940 -0.325 -15.464 1.00 72.44 O ATOM 885 ND2 ASN A 53 -3.385 0.043 -17.584 1.00 12.20 N ATOM 0 H ASN A 53 -2.662 0.355 -12.818 1.00 23.34 H new ATOM 0 HA ASN A 53 -1.233 0.280 -14.482 1.00 35.05 H new ATOM 0 HB2 ASN A 53 -2.935 2.383 -15.895 1.00 63.34 H new ATOM 0 HB3 ASN A 53 -1.582 1.545 -16.628 1.00 63.34 H new ATOM 0 HD21 ASN A 53 -3.992 -0.709 -17.911 1.00 12.20 H new ATOM 0 HD22 ASN A 53 -2.842 0.588 -18.254 1.00 12.20 H new ATOM 892 N GLU A 54 -0.866 3.083 -13.126 1.00 61.05 N ATOM 893 CA GLU A 54 0.080 4.150 -12.759 1.00 23.10 C ATOM 894 C GLU A 54 1.064 3.687 -11.674 1.00 10.54 C ATOM 895 O GLU A 54 0.663 3.117 -10.660 1.00 13.32 O ATOM 896 CB GLU A 54 -0.679 5.384 -12.245 1.00 61.25 C ATOM 897 CG GLU A 54 -1.767 5.896 -13.184 1.00 60.44 C ATOM 898 CD GLU A 54 -2.530 7.080 -12.604 1.00 3.45 C ATOM 899 OE1 GLU A 54 -3.286 6.887 -11.627 1.00 4.31 O ATOM 900 OE2 GLU A 54 -2.371 8.211 -13.115 1.00 64.21 O ATOM 0 H GLU A 54 -1.647 2.974 -12.479 1.00 61.05 H new ATOM 0 HA GLU A 54 0.643 4.403 -13.657 1.00 23.10 H new ATOM 0 HB2 GLU A 54 -1.132 5.142 -11.283 1.00 61.25 H new ATOM 0 HB3 GLU A 54 0.037 6.187 -12.067 1.00 61.25 H new ATOM 0 HG2 GLU A 54 -1.316 6.188 -14.132 1.00 60.44 H new ATOM 0 HG3 GLU A 54 -2.466 5.088 -13.399 1.00 60.44 H new ATOM 907 N MET A 55 2.353 3.942 -11.884 1.00 34.23 N ATOM 908 CA MET A 55 3.364 3.656 -10.864 1.00 61.32 C ATOM 909 C MET A 55 3.276 4.702 -9.740 1.00 4.12 C ATOM 910 O MET A 55 3.558 5.881 -9.959 1.00 34.34 O ATOM 911 CB MET A 55 4.767 3.667 -11.492 1.00 43.23 C ATOM 912 CG MET A 55 5.906 3.292 -10.537 1.00 2.33 C ATOM 913 SD MET A 55 6.270 1.518 -10.491 1.00 34.21 S ATOM 914 CE MET A 55 4.818 0.853 -9.676 1.00 55.01 C ATOM 0 H MET A 55 2.723 4.344 -12.745 1.00 34.23 H new ATOM 0 HA MET A 55 3.179 2.667 -10.445 1.00 61.32 H new ATOM 0 HB2 MET A 55 4.777 2.976 -12.335 1.00 43.23 H new ATOM 0 HB3 MET A 55 4.962 4.662 -11.893 1.00 43.23 H new ATOM 0 HG2 MET A 55 6.807 3.830 -10.832 1.00 2.33 H new ATOM 0 HG3 MET A 55 5.649 3.627 -9.532 1.00 2.33 H new ATOM 0 HE1 MET A 55 5.095 -0.033 -9.105 1.00 55.01 H new ATOM 0 HE2 MET A 55 4.403 1.603 -9.003 1.00 55.01 H new ATOM 0 HE3 MET A 55 4.072 0.584 -10.424 1.00 55.01 H new ATOM 924 N VAL A 56 2.871 4.272 -8.547 1.00 1.14 N ATOM 925 CA VAL A 56 2.647 5.194 -7.429 1.00 42.13 C ATOM 926 C VAL A 56 3.961 5.803 -6.910 1.00 13.12 C ATOM 927 O VAL A 56 4.919 5.090 -6.603 1.00 21.42 O ATOM 928 CB VAL A 56 1.909 4.493 -6.259 1.00 74.01 C ATOM 929 CG1 VAL A 56 1.653 5.466 -5.107 1.00 3.20 C ATOM 930 CG2 VAL A 56 0.598 3.871 -6.742 1.00 35.00 C ATOM 0 H VAL A 56 2.691 3.293 -8.327 1.00 1.14 H new ATOM 0 HA VAL A 56 2.023 5.999 -7.816 1.00 42.13 H new ATOM 0 HB VAL A 56 2.552 3.695 -5.888 1.00 74.01 H new ATOM 0 HG11 VAL A 56 1.134 4.947 -4.301 1.00 3.20 H new ATOM 0 HG12 VAL A 56 2.604 5.851 -4.738 1.00 3.20 H new ATOM 0 HG13 VAL A 56 1.038 6.294 -5.460 1.00 3.20 H new ATOM 0 HG21 VAL A 56 0.096 3.384 -5.906 1.00 35.00 H new ATOM 0 HG22 VAL A 56 -0.047 4.650 -7.148 1.00 35.00 H new ATOM 0 HG23 VAL A 56 0.809 3.134 -7.517 1.00 35.00 H new ATOM 940 N GLN A 57 4.002 7.132 -6.834 1.00 73.42 N ATOM 941 CA GLN A 57 5.146 7.843 -6.254 1.00 21.13 C ATOM 942 C GLN A 57 4.828 8.329 -4.828 1.00 1.35 C ATOM 943 O GLN A 57 3.720 8.777 -4.547 1.00 74.21 O ATOM 944 CB GLN A 57 5.585 9.004 -7.172 1.00 1.23 C ATOM 945 CG GLN A 57 4.449 9.821 -7.804 1.00 54.52 C ATOM 946 CD GLN A 57 3.816 10.840 -6.866 1.00 14.41 C ATOM 947 OE1 GLN A 57 4.278 11.970 -6.757 1.00 71.42 O ATOM 948 NE2 GLN A 57 2.740 10.466 -6.206 1.00 43.23 N ATOM 0 H GLN A 57 3.255 7.742 -7.167 1.00 73.42 H new ATOM 0 HA GLN A 57 5.983 7.149 -6.178 1.00 21.13 H new ATOM 0 HB2 GLN A 57 6.216 9.680 -6.595 1.00 1.23 H new ATOM 0 HB3 GLN A 57 6.203 8.596 -7.972 1.00 1.23 H new ATOM 0 HG2 GLN A 57 4.835 10.341 -8.680 1.00 54.52 H new ATOM 0 HG3 GLN A 57 3.676 9.137 -8.154 1.00 54.52 H new ATOM 0 HE21 GLN A 57 2.378 9.519 -6.316 1.00 43.23 H new ATOM 0 HE22 GLN A 57 2.269 11.123 -5.585 1.00 43.23 H new ATOM 957 N PHE A 58 5.805 8.221 -3.929 1.00 3.44 N ATOM 958 CA PHE A 58 5.595 8.525 -2.504 1.00 31.21 C ATOM 959 C PHE A 58 6.299 9.828 -2.085 1.00 32.30 C ATOM 960 O PHE A 58 6.383 10.147 -0.898 1.00 4.23 O ATOM 961 CB PHE A 58 6.113 7.358 -1.652 1.00 11.01 C ATOM 962 CG PHE A 58 5.587 6.013 -2.094 1.00 11.12 C ATOM 963 CD1 PHE A 58 4.320 5.590 -1.721 1.00 23.21 C ATOM 964 CD2 PHE A 58 6.358 5.174 -2.890 1.00 2.03 C ATOM 965 CE1 PHE A 58 3.834 4.362 -2.130 1.00 63.22 C ATOM 966 CE2 PHE A 58 5.876 3.945 -3.301 1.00 11.13 C ATOM 967 CZ PHE A 58 4.611 3.539 -2.919 1.00 5.22 C ATOM 0 H PHE A 58 6.754 7.925 -4.157 1.00 3.44 H new ATOM 0 HA PHE A 58 4.526 8.662 -2.344 1.00 31.21 H new ATOM 0 HB2 PHE A 58 7.202 7.345 -1.691 1.00 11.01 H new ATOM 0 HB3 PHE A 58 5.834 7.525 -0.612 1.00 11.01 H new ATOM 0 HD1 PHE A 58 3.705 6.228 -1.103 1.00 23.21 H new ATOM 0 HD2 PHE A 58 7.347 5.486 -3.192 1.00 2.03 H new ATOM 0 HE1 PHE A 58 2.845 4.047 -1.832 1.00 63.22 H new ATOM 0 HE2 PHE A 58 6.487 3.304 -3.919 1.00 11.13 H new ATOM 0 HZ PHE A 58 4.232 2.579 -3.238 1.00 5.22 H new ATOM 977 N ASN A 59 6.788 10.585 -3.064 1.00 71.11 N ATOM 978 CA ASN A 59 7.534 11.828 -2.804 1.00 32.34 C ATOM 979 C ASN A 59 6.611 13.063 -2.750 1.00 74.12 C ATOM 980 O ASN A 59 6.983 14.152 -3.194 1.00 33.50 O ATOM 981 CB ASN A 59 8.603 12.016 -3.889 1.00 1.12 C ATOM 982 CG ASN A 59 8.014 11.986 -5.290 1.00 72.34 C ATOM 983 OD1 ASN A 59 7.937 10.938 -5.924 1.00 61.40 O ATOM 984 ND2 ASN A 59 7.581 13.127 -5.782 1.00 50.35 N ATOM 0 H ASN A 59 6.683 10.363 -4.054 1.00 71.11 H new ATOM 0 HA ASN A 59 8.005 11.737 -1.825 1.00 32.34 H new ATOM 0 HB2 ASN A 59 9.114 12.966 -3.732 1.00 1.12 H new ATOM 0 HB3 ASN A 59 9.354 11.231 -3.796 1.00 1.12 H new ATOM 0 HD21 ASN A 59 7.168 13.156 -6.714 1.00 50.35 H new ATOM 0 HD22 ASN A 59 7.658 13.982 -5.231 1.00 50.35 H new ATOM 991 N THR A 60 5.421 12.901 -2.176 1.00 11.54 N ATOM 992 CA THR A 60 4.424 13.987 -2.124 1.00 45.40 C ATOM 993 C THR A 60 3.648 14.006 -0.800 1.00 21.30 C ATOM 994 O THR A 60 3.653 13.033 -0.049 1.00 21.33 O ATOM 995 CB THR A 60 3.408 13.877 -3.292 1.00 21.25 C ATOM 996 OG1 THR A 60 2.274 14.730 -3.054 1.00 41.33 O ATOM 997 CG2 THR A 60 2.934 12.441 -3.482 1.00 23.22 C ATOM 0 H THR A 60 5.116 12.031 -1.738 1.00 11.54 H new ATOM 0 HA THR A 60 4.990 14.915 -2.211 1.00 45.40 H new ATOM 0 HB THR A 60 3.917 14.196 -4.201 1.00 21.25 H new ATOM 0 HG1 THR A 60 1.643 14.651 -3.800 1.00 41.33 H new ATOM 0 HG21 THR A 60 2.224 12.399 -4.308 1.00 23.22 H new ATOM 0 HG22 THR A 60 3.789 11.802 -3.705 1.00 23.22 H new ATOM 0 HG23 THR A 60 2.450 12.094 -2.569 1.00 23.22 H new ATOM 1005 N ASP A 61 2.972 15.121 -0.530 1.00 23.21 N ATOM 1006 CA ASP A 61 2.149 15.266 0.673 1.00 75.01 C ATOM 1007 C ASP A 61 0.897 14.380 0.590 1.00 33.42 C ATOM 1008 O ASP A 61 0.354 13.950 1.607 1.00 44.33 O ATOM 1009 CB ASP A 61 1.750 16.738 0.851 1.00 1.04 C ATOM 1010 CG ASP A 61 1.009 16.997 2.153 1.00 61.23 C ATOM 1011 OD1 ASP A 61 1.636 16.873 3.230 1.00 52.23 O ATOM 1012 OD2 ASP A 61 -0.188 17.349 2.112 1.00 54.33 O ATOM 0 H ASP A 61 2.977 15.944 -1.132 1.00 23.21 H new ATOM 0 HA ASP A 61 2.732 14.945 1.536 1.00 75.01 H new ATOM 0 HB2 ASP A 61 2.646 17.358 0.819 1.00 1.04 H new ATOM 0 HB3 ASP A 61 1.121 17.042 0.014 1.00 1.04 H new ATOM 1017 N ARG A 62 0.459 14.096 -0.636 1.00 44.52 N ATOM 1018 CA ARG A 62 -0.748 13.296 -0.859 1.00 70.03 C ATOM 1019 C ARG A 62 -0.485 11.784 -0.785 1.00 74.30 C ATOM 1020 O ARG A 62 -1.411 11.004 -0.586 1.00 42.20 O ATOM 1021 CB ARG A 62 -1.381 13.649 -2.215 1.00 0.31 C ATOM 1022 CG ARG A 62 -2.016 15.037 -2.252 1.00 5.40 C ATOM 1023 CD ARG A 62 -2.700 15.317 -3.588 1.00 23.14 C ATOM 1024 NE ARG A 62 -3.687 16.390 -3.476 1.00 65.22 N ATOM 1025 CZ ARG A 62 -4.089 17.137 -4.462 1.00 12.33 C ATOM 1026 NH1 ARG A 62 -3.559 17.031 -5.638 1.00 15.44 N ATOM 1027 NH2 ARG A 62 -5.019 18.010 -4.262 1.00 22.22 N ATOM 0 H ARG A 62 0.921 14.407 -1.491 1.00 44.52 H new ATOM 0 HA ARG A 62 -1.438 13.543 -0.052 1.00 70.03 H new ATOM 0 HB2 ARG A 62 -0.617 13.588 -2.990 1.00 0.31 H new ATOM 0 HB3 ARG A 62 -2.140 12.905 -2.456 1.00 0.31 H new ATOM 0 HG2 ARG A 62 -2.745 15.124 -1.446 1.00 5.40 H new ATOM 0 HG3 ARG A 62 -1.250 15.791 -2.072 1.00 5.40 H new ATOM 0 HD2 ARG A 62 -1.950 15.589 -4.331 1.00 23.14 H new ATOM 0 HD3 ARG A 62 -3.188 14.410 -3.944 1.00 23.14 H new ATOM 0 HE ARG A 62 -4.090 16.566 -2.556 1.00 65.22 H new ATOM 0 HH11 ARG A 62 -2.814 16.354 -5.803 1.00 15.44 H new ATOM 0 HH12 ARG A 62 -3.886 17.625 -6.400 1.00 15.44 H new ATOM 0 HH21 ARG A 62 -5.433 18.110 -3.335 1.00 22.22 H new ATOM 0 HH22 ARG A 62 -5.339 18.599 -5.031 1.00 22.22 H new ATOM 1041 N ILE A 63 0.769 11.363 -0.945 1.00 73.15 N ATOM 1042 CA ILE A 63 1.103 9.929 -0.931 1.00 24.44 C ATOM 1043 C ILE A 63 2.339 9.645 -0.064 1.00 20.45 C ATOM 1044 O ILE A 63 3.406 10.223 -0.272 1.00 54.32 O ATOM 1045 CB ILE A 63 1.365 9.380 -2.360 1.00 72.54 C ATOM 1046 CG1 ILE A 63 0.174 9.662 -3.297 1.00 75.21 C ATOM 1047 CG2 ILE A 63 1.661 7.880 -2.315 1.00 54.03 C ATOM 1048 CD1 ILE A 63 -1.115 8.971 -2.891 1.00 13.31 C ATOM 0 H ILE A 63 1.567 11.983 -1.085 1.00 73.15 H new ATOM 0 HA ILE A 63 0.236 9.423 -0.507 1.00 24.44 H new ATOM 0 HB ILE A 63 2.237 9.898 -2.758 1.00 72.54 H new ATOM 0 HG12 ILE A 63 0.001 10.738 -3.332 1.00 75.21 H new ATOM 0 HG13 ILE A 63 0.439 9.348 -4.307 1.00 75.21 H new ATOM 0 HG21 ILE A 63 1.842 7.514 -3.326 1.00 54.03 H new ATOM 0 HG22 ILE A 63 2.544 7.702 -1.701 1.00 54.03 H new ATOM 0 HG23 ILE A 63 0.808 7.354 -1.886 1.00 54.03 H new ATOM 0 HD11 ILE A 63 -1.902 9.222 -3.602 1.00 13.31 H new ATOM 0 HD12 ILE A 63 -0.963 7.892 -2.884 1.00 13.31 H new ATOM 0 HD13 ILE A 63 -1.407 9.302 -1.895 1.00 13.31 H new ATOM 1060 N SER A 64 2.189 8.737 0.896 1.00 42.13 N ATOM 1061 CA SER A 64 3.299 8.328 1.768 1.00 4.04 C ATOM 1062 C SER A 64 3.154 6.861 2.194 1.00 12.33 C ATOM 1063 O SER A 64 2.045 6.350 2.327 1.00 45.01 O ATOM 1064 CB SER A 64 3.381 9.231 3.010 1.00 60.25 C ATOM 1065 OG SER A 64 2.158 9.256 3.735 1.00 13.40 O ATOM 0 H SER A 64 1.307 8.265 1.095 1.00 42.13 H new ATOM 0 HA SER A 64 4.222 8.433 1.198 1.00 4.04 H new ATOM 0 HB2 SER A 64 4.181 8.879 3.661 1.00 60.25 H new ATOM 0 HB3 SER A 64 3.642 10.244 2.704 1.00 60.25 H new ATOM 0 HG SER A 64 1.411 9.098 3.121 1.00 13.40 H new ATOM 1071 N LEU A 65 4.283 6.191 2.408 1.00 24.34 N ATOM 1072 CA LEU A 65 4.292 4.761 2.751 1.00 54.54 C ATOM 1073 C LEU A 65 5.298 4.461 3.872 1.00 74.10 C ATOM 1074 O LEU A 65 6.435 4.932 3.837 1.00 11.12 O ATOM 1075 CB LEU A 65 4.642 3.936 1.503 1.00 53.42 C ATOM 1076 CG LEU A 65 4.742 2.411 1.710 1.00 11.24 C ATOM 1077 CD1 LEU A 65 3.392 1.820 2.105 1.00 0.24 C ATOM 1078 CD2 LEU A 65 5.280 1.735 0.451 1.00 52.22 C ATOM 0 H LEU A 65 5.210 6.612 2.351 1.00 24.34 H new ATOM 0 HA LEU A 65 3.299 4.489 3.109 1.00 54.54 H new ATOM 0 HB2 LEU A 65 3.889 4.131 0.739 1.00 53.42 H new ATOM 0 HB3 LEU A 65 5.594 4.293 1.110 1.00 53.42 H new ATOM 0 HG LEU A 65 5.439 2.226 2.527 1.00 11.24 H new ATOM 0 HD11 LEU A 65 3.493 0.744 2.244 1.00 0.24 H new ATOM 0 HD12 LEU A 65 3.053 2.276 3.035 1.00 0.24 H new ATOM 0 HD13 LEU A 65 2.664 2.017 1.318 1.00 0.24 H new ATOM 0 HD21 LEU A 65 5.344 0.659 0.615 1.00 52.22 H new ATOM 0 HD22 LEU A 65 4.609 1.936 -0.385 1.00 52.22 H new ATOM 0 HD23 LEU A 65 6.271 2.127 0.223 1.00 52.22 H new ATOM 1090 N TYR A 66 4.883 3.674 4.866 1.00 61.12 N ATOM 1091 CA TYR A 66 5.791 3.277 5.950 1.00 30.14 C ATOM 1092 C TYR A 66 5.546 1.823 6.384 1.00 62.00 C ATOM 1093 O TYR A 66 4.463 1.266 6.175 1.00 22.34 O ATOM 1094 CB TYR A 66 5.656 4.228 7.156 1.00 4.34 C ATOM 1095 CG TYR A 66 4.509 3.915 8.105 1.00 64.44 C ATOM 1096 CD1 TYR A 66 3.217 4.367 7.855 1.00 61.43 C ATOM 1097 CD2 TYR A 66 4.729 3.169 9.262 1.00 31.43 C ATOM 1098 CE1 TYR A 66 2.183 4.085 8.730 1.00 74.02 C ATOM 1099 CE2 TYR A 66 3.700 2.886 10.138 1.00 33.31 C ATOM 1100 CZ TYR A 66 2.430 3.344 9.868 1.00 65.23 C ATOM 1101 OH TYR A 66 1.402 3.063 10.741 1.00 44.32 O ATOM 0 H TYR A 66 3.937 3.301 4.946 1.00 61.12 H new ATOM 0 HA TYR A 66 6.809 3.346 5.566 1.00 30.14 H new ATOM 0 HB2 TYR A 66 6.588 4.208 7.720 1.00 4.34 H new ATOM 0 HB3 TYR A 66 5.531 5.245 6.784 1.00 4.34 H new ATOM 0 HD1 TYR A 66 3.018 4.946 6.965 1.00 61.43 H new ATOM 0 HD2 TYR A 66 5.723 2.806 9.477 1.00 31.43 H new ATOM 0 HE1 TYR A 66 1.186 4.444 8.523 1.00 74.02 H new ATOM 0 HE2 TYR A 66 3.890 2.308 11.030 1.00 33.31 H new ATOM 0 HH TYR A 66 1.745 2.532 11.490 1.00 44.32 H new ATOM 1111 N GLN A 67 6.566 1.215 6.983 1.00 71.25 N ATOM 1112 CA GLN A 67 6.468 -0.150 7.509 1.00 13.34 C ATOM 1113 C GLN A 67 6.849 -0.190 8.999 1.00 21.11 C ATOM 1114 O GLN A 67 7.931 0.252 9.393 1.00 72.32 O ATOM 1115 CB GLN A 67 7.357 -1.107 6.696 1.00 51.20 C ATOM 1116 CG GLN A 67 8.793 -0.619 6.517 1.00 42.04 C ATOM 1117 CD GLN A 67 9.693 -1.656 5.867 1.00 51.10 C ATOM 1118 OE1 GLN A 67 10.333 -2.450 6.545 1.00 52.31 O ATOM 1119 NE2 GLN A 67 9.750 -1.655 4.550 1.00 51.44 N ATOM 0 H GLN A 67 7.479 1.648 7.119 1.00 71.25 H new ATOM 0 HA GLN A 67 5.433 -0.478 7.415 1.00 13.34 H new ATOM 0 HB2 GLN A 67 7.373 -2.079 7.189 1.00 51.20 H new ATOM 0 HB3 GLN A 67 6.909 -1.256 5.713 1.00 51.20 H new ATOM 0 HG2 GLN A 67 8.791 0.285 5.909 1.00 42.04 H new ATOM 0 HG3 GLN A 67 9.203 -0.348 7.490 1.00 42.04 H new ATOM 0 HE21 GLN A 67 9.203 -0.979 4.016 1.00 51.44 H new ATOM 0 HE22 GLN A 67 10.341 -2.330 4.065 1.00 51.44 H new ATOM 1128 N ASP A 68 5.947 -0.713 9.822 1.00 71.42 N ATOM 1129 CA ASP A 68 6.156 -0.789 11.270 1.00 65.54 C ATOM 1130 C ASP A 68 7.133 -1.927 11.637 1.00 65.43 C ATOM 1131 O ASP A 68 7.315 -2.877 10.874 1.00 22.34 O ATOM 1132 CB ASP A 68 4.801 -1.000 11.962 1.00 75.04 C ATOM 1133 CG ASP A 68 4.873 -0.828 13.468 1.00 63.44 C ATOM 1134 OD1 ASP A 68 5.351 -1.753 14.153 1.00 34.43 O ATOM 1135 OD2 ASP A 68 4.459 0.235 13.974 1.00 53.43 O ATOM 0 H ASP A 68 5.054 -1.095 9.510 1.00 71.42 H new ATOM 0 HA ASP A 68 6.601 0.146 11.611 1.00 65.54 H new ATOM 0 HB2 ASP A 68 4.077 -0.294 11.555 1.00 75.04 H new ATOM 0 HB3 ASP A 68 4.434 -2.000 11.733 1.00 75.04 H new ATOM 1140 N ASN A 69 7.733 -1.831 12.826 1.00 74.13 N ATOM 1141 CA ASN A 69 8.698 -2.834 13.309 1.00 54.12 C ATOM 1142 C ASN A 69 8.098 -4.248 13.327 1.00 53.54 C ATOM 1143 O ASN A 69 8.805 -5.236 13.135 1.00 54.33 O ATOM 1144 CB ASN A 69 9.179 -2.478 14.719 1.00 13.44 C ATOM 1145 CG ASN A 69 9.748 -1.076 14.803 1.00 51.31 C ATOM 1146 OD1 ASN A 69 10.928 -0.856 14.553 1.00 1.01 O ATOM 1147 ND2 ASN A 69 8.920 -0.119 15.173 1.00 73.23 N ATOM 0 H ASN A 69 7.569 -1.065 13.479 1.00 74.13 H new ATOM 0 HA ASN A 69 9.538 -2.826 12.615 1.00 54.12 H new ATOM 0 HB2 ASN A 69 8.347 -2.571 15.417 1.00 13.44 H new ATOM 0 HB3 ASN A 69 9.939 -3.194 15.031 1.00 13.44 H new ATOM 0 HD21 ASN A 69 9.255 0.840 15.259 1.00 73.23 H new ATOM 0 HD22 ASN A 69 7.944 -0.338 15.373 1.00 73.23 H new ATOM 1154 N THR A 70 6.790 -4.333 13.559 1.00 22.13 N ATOM 1155 CA THR A 70 6.094 -5.627 13.639 1.00 44.43 C ATOM 1156 C THR A 70 5.823 -6.236 12.250 1.00 32.32 C ATOM 1157 O THR A 70 5.203 -7.296 12.135 1.00 34.44 O ATOM 1158 CB THR A 70 4.752 -5.493 14.405 1.00 52.45 C ATOM 1159 OG1 THR A 70 4.174 -6.788 14.635 1.00 23.32 O ATOM 1160 CG2 THR A 70 3.756 -4.626 13.638 1.00 54.22 C ATOM 0 H THR A 70 6.185 -3.523 13.696 1.00 22.13 H new ATOM 0 HA THR A 70 6.761 -6.297 14.182 1.00 44.43 H new ATOM 0 HB THR A 70 4.968 -5.013 15.360 1.00 52.45 H new ATOM 0 HG1 THR A 70 4.285 -7.343 13.835 1.00 23.32 H new ATOM 0 HG21 THR A 70 2.827 -4.553 14.203 1.00 54.22 H new ATOM 0 HG22 THR A 70 4.174 -3.629 13.497 1.00 54.22 H new ATOM 0 HG23 THR A 70 3.555 -5.076 12.666 1.00 54.22 H new ATOM 1168 N GLY A 71 6.298 -5.571 11.194 1.00 43.15 N ATOM 1169 CA GLY A 71 6.063 -6.045 9.831 1.00 73.10 C ATOM 1170 C GLY A 71 4.732 -5.560 9.265 1.00 62.51 C ATOM 1171 O GLY A 71 4.149 -6.194 8.385 1.00 5.21 O ATOM 0 H GLY A 71 6.843 -4.711 11.256 1.00 43.15 H new ATOM 0 HA2 GLY A 71 6.874 -5.705 9.187 1.00 73.10 H new ATOM 0 HA3 GLY A 71 6.083 -7.135 9.820 1.00 73.10 H new ATOM 1175 N ARG A 72 4.248 -4.434 9.776 1.00 11.50 N ATOM 1176 CA ARG A 72 2.958 -3.883 9.355 1.00 64.43 C ATOM 1177 C ARG A 72 3.131 -2.819 8.261 1.00 12.21 C ATOM 1178 O ARG A 72 3.727 -1.770 8.492 1.00 72.20 O ATOM 1179 CB ARG A 72 2.233 -3.283 10.568 1.00 1.11 C ATOM 1180 CG ARG A 72 0.792 -2.863 10.291 1.00 10.13 C ATOM 1181 CD ARG A 72 0.091 -2.404 11.563 1.00 1.42 C ATOM 1182 NE ARG A 72 -1.347 -2.236 11.368 1.00 3.03 N ATOM 1183 CZ ARG A 72 -2.233 -3.154 11.650 1.00 61.52 C ATOM 1184 NH1 ARG A 72 -1.866 -4.310 12.104 1.00 62.23 N ATOM 1185 NH2 ARG A 72 -3.487 -2.915 11.472 1.00 13.33 N ATOM 0 H ARG A 72 4.729 -3.880 10.485 1.00 11.50 H new ATOM 0 HA ARG A 72 2.361 -4.693 8.937 1.00 64.43 H new ATOM 0 HB2 ARG A 72 2.238 -4.013 11.377 1.00 1.11 H new ATOM 0 HB3 ARG A 72 2.792 -2.415 10.918 1.00 1.11 H new ATOM 0 HG2 ARG A 72 0.781 -2.057 9.557 1.00 10.13 H new ATOM 0 HG3 ARG A 72 0.246 -3.699 9.854 1.00 10.13 H new ATOM 0 HD2 ARG A 72 0.266 -3.131 12.356 1.00 1.42 H new ATOM 0 HD3 ARG A 72 0.524 -1.460 11.895 1.00 1.42 H new ATOM 0 HE ARG A 72 -1.679 -1.349 10.989 1.00 3.03 H new ATOM 0 HH11 ARG A 72 -0.876 -4.512 12.245 1.00 62.23 H new ATOM 0 HH12 ARG A 72 -2.567 -5.019 12.321 1.00 62.23 H new ATOM 0 HH21 ARG A 72 -3.787 -2.010 11.111 1.00 13.33 H new ATOM 0 HH22 ARG A 72 -4.179 -3.631 11.692 1.00 13.33 H new ATOM 1199 N VAL A 73 2.598 -3.091 7.075 1.00 74.22 N ATOM 1200 CA VAL A 73 2.693 -2.155 5.951 1.00 72.03 C ATOM 1201 C VAL A 73 1.452 -1.258 5.888 1.00 10.35 C ATOM 1202 O VAL A 73 0.325 -1.743 5.944 1.00 54.11 O ATOM 1203 CB VAL A 73 2.845 -2.907 4.606 1.00 70.52 C ATOM 1204 CG1 VAL A 73 2.867 -1.931 3.430 1.00 4.00 C ATOM 1205 CG2 VAL A 73 4.103 -3.773 4.623 1.00 20.44 C ATOM 0 H VAL A 73 2.094 -3.952 6.863 1.00 74.22 H new ATOM 0 HA VAL A 73 3.578 -1.540 6.114 1.00 72.03 H new ATOM 0 HB VAL A 73 1.980 -3.558 4.477 1.00 70.52 H new ATOM 0 HG11 VAL A 73 2.975 -2.486 2.498 1.00 4.00 H new ATOM 0 HG12 VAL A 73 1.936 -1.365 3.410 1.00 4.00 H new ATOM 0 HG13 VAL A 73 3.706 -1.245 3.542 1.00 4.00 H new ATOM 0 HG21 VAL A 73 4.198 -4.296 3.671 1.00 20.44 H new ATOM 0 HG22 VAL A 73 4.978 -3.141 4.778 1.00 20.44 H new ATOM 0 HG23 VAL A 73 4.033 -4.501 5.432 1.00 20.44 H new ATOM 1215 N THR A 74 1.661 0.055 5.804 1.00 15.11 N ATOM 1216 CA THR A 74 0.544 1.007 5.758 1.00 12.24 C ATOM 1217 C THR A 74 0.777 2.117 4.725 1.00 64.13 C ATOM 1218 O THR A 74 1.738 2.883 4.829 1.00 64.50 O ATOM 1219 CB THR A 74 0.299 1.653 7.144 1.00 40.33 C ATOM 1220 OG1 THR A 74 0.043 0.634 8.127 1.00 13.52 O ATOM 1221 CG2 THR A 74 -0.877 2.624 7.108 1.00 42.50 C ATOM 0 H THR A 74 2.585 0.485 5.766 1.00 15.11 H new ATOM 0 HA THR A 74 -0.335 0.433 5.463 1.00 12.24 H new ATOM 0 HB THR A 74 1.198 2.209 7.412 1.00 40.33 H new ATOM 0 HG1 THR A 74 -0.109 1.052 9.000 1.00 13.52 H new ATOM 0 HG21 THR A 74 -1.020 3.059 8.097 1.00 42.50 H new ATOM 0 HG22 THR A 74 -0.672 3.417 6.389 1.00 42.50 H new ATOM 0 HG23 THR A 74 -1.780 2.091 6.812 1.00 42.50 H new ATOM 1229 N LEU A 75 -0.105 2.193 3.732 1.00 52.02 N ATOM 1230 CA LEU A 75 -0.059 3.255 2.724 1.00 63.41 C ATOM 1231 C LEU A 75 -0.934 4.445 3.148 1.00 11.01 C ATOM 1232 O LEU A 75 -2.163 4.340 3.195 1.00 2.15 O ATOM 1233 CB LEU A 75 -0.528 2.711 1.367 1.00 13.44 C ATOM 1234 CG LEU A 75 -0.485 3.715 0.199 1.00 24.23 C ATOM 1235 CD1 LEU A 75 0.941 4.210 -0.044 1.00 25.32 C ATOM 1236 CD2 LEU A 75 -1.062 3.092 -1.069 1.00 70.05 C ATOM 0 H LEU A 75 -0.867 1.527 3.601 1.00 52.02 H new ATOM 0 HA LEU A 75 0.970 3.601 2.633 1.00 63.41 H new ATOM 0 HB2 LEU A 75 0.089 1.851 1.107 1.00 13.44 H new ATOM 0 HB3 LEU A 75 -1.550 2.349 1.474 1.00 13.44 H new ATOM 0 HG LEU A 75 -1.099 4.574 0.469 1.00 24.23 H new ATOM 0 HD11 LEU A 75 0.944 4.917 -0.873 1.00 25.32 H new ATOM 0 HD12 LEU A 75 1.313 4.702 0.854 1.00 25.32 H new ATOM 0 HD13 LEU A 75 1.584 3.364 -0.287 1.00 25.32 H new ATOM 0 HD21 LEU A 75 -1.022 3.818 -1.881 1.00 70.05 H new ATOM 0 HD22 LEU A 75 -0.479 2.212 -1.340 1.00 70.05 H new ATOM 0 HD23 LEU A 75 -2.098 2.801 -0.893 1.00 70.05 H new ATOM 1248 N LEU A 76 -0.289 5.565 3.470 1.00 60.33 N ATOM 1249 CA LEU A 76 -0.993 6.778 3.903 1.00 43.22 C ATOM 1250 C LEU A 76 -1.250 7.722 2.720 1.00 13.31 C ATOM 1251 O LEU A 76 -0.329 8.381 2.223 1.00 33.22 O ATOM 1252 CB LEU A 76 -0.178 7.512 4.979 1.00 52.42 C ATOM 1253 CG LEU A 76 0.119 6.708 6.255 1.00 32.23 C ATOM 1254 CD1 LEU A 76 1.037 7.499 7.185 1.00 51.31 C ATOM 1255 CD2 LEU A 76 -1.175 6.328 6.971 1.00 63.45 C ATOM 0 H LEU A 76 0.726 5.661 3.440 1.00 60.33 H new ATOM 0 HA LEU A 76 -1.954 6.475 4.319 1.00 43.22 H new ATOM 0 HB2 LEU A 76 0.769 7.825 4.540 1.00 52.42 H new ATOM 0 HB3 LEU A 76 -0.714 8.418 5.259 1.00 52.42 H new ATOM 0 HG LEU A 76 0.629 5.789 5.968 1.00 32.23 H new ATOM 0 HD11 LEU A 76 1.236 6.914 8.083 1.00 51.31 H new ATOM 0 HD12 LEU A 76 1.976 7.712 6.675 1.00 51.31 H new ATOM 0 HD13 LEU A 76 0.554 8.436 7.462 1.00 51.31 H new ATOM 0 HD21 LEU A 76 -0.940 5.760 7.871 1.00 63.45 H new ATOM 0 HD22 LEU A 76 -1.718 7.232 7.245 1.00 63.45 H new ATOM 0 HD23 LEU A 76 -1.792 5.720 6.309 1.00 63.45 H new ATOM 1267 N ILE A 77 -2.501 7.779 2.275 1.00 50.44 N ATOM 1268 CA ILE A 77 -2.898 8.654 1.165 1.00 2.21 C ATOM 1269 C ILE A 77 -3.707 9.856 1.678 1.00 24.41 C ATOM 1270 O ILE A 77 -4.786 9.694 2.248 1.00 22.32 O ATOM 1271 CB ILE A 77 -3.730 7.876 0.115 1.00 31.35 C ATOM 1272 CG1 ILE A 77 -2.914 6.691 -0.425 1.00 50.41 C ATOM 1273 CG2 ILE A 77 -4.176 8.796 -1.022 1.00 10.42 C ATOM 1274 CD1 ILE A 77 -3.671 5.808 -1.395 1.00 63.24 C ATOM 0 H ILE A 77 -3.265 7.228 2.665 1.00 50.44 H new ATOM 0 HA ILE A 77 -1.986 9.018 0.691 1.00 2.21 H new ATOM 0 HB ILE A 77 -4.628 7.491 0.598 1.00 31.35 H new ATOM 0 HG12 ILE A 77 -2.022 7.074 -0.920 1.00 50.41 H new ATOM 0 HG13 ILE A 77 -2.577 6.084 0.415 1.00 50.41 H new ATOM 0 HG21 ILE A 77 -4.758 8.225 -1.745 1.00 10.42 H new ATOM 0 HG22 ILE A 77 -4.789 9.602 -0.619 1.00 10.42 H new ATOM 0 HG23 ILE A 77 -3.299 9.218 -1.514 1.00 10.42 H new ATOM 0 HD11 ILE A 77 -3.025 4.996 -1.729 1.00 63.24 H new ATOM 0 HD12 ILE A 77 -4.549 5.393 -0.900 1.00 63.24 H new ATOM 0 HD13 ILE A 77 -3.985 6.399 -2.256 1.00 63.24 H new ATOM 1286 N LYS A 78 -3.172 11.055 1.478 1.00 44.42 N ATOM 1287 CA LYS A 78 -3.785 12.287 1.985 1.00 71.00 C ATOM 1288 C LYS A 78 -4.308 13.181 0.848 1.00 63.42 C ATOM 1289 O LYS A 78 -3.805 13.126 -0.272 1.00 24.41 O ATOM 1290 CB LYS A 78 -2.750 13.065 2.806 1.00 63.42 C ATOM 1291 CG LYS A 78 -2.115 12.254 3.929 1.00 54.22 C ATOM 1292 CD LYS A 78 -1.061 13.065 4.673 1.00 21.20 C ATOM 1293 CE LYS A 78 -0.391 12.257 5.777 1.00 71.33 C ATOM 1294 NZ LYS A 78 0.625 13.057 6.508 1.00 32.42 N ATOM 0 H LYS A 78 -2.305 11.205 0.963 1.00 44.42 H new ATOM 0 HA LYS A 78 -4.636 12.006 2.606 1.00 71.00 H new ATOM 0 HB2 LYS A 78 -1.965 13.420 2.139 1.00 63.42 H new ATOM 0 HB3 LYS A 78 -3.228 13.946 3.233 1.00 63.42 H new ATOM 0 HG2 LYS A 78 -2.887 11.930 4.627 1.00 54.22 H new ATOM 0 HG3 LYS A 78 -1.660 11.354 3.517 1.00 54.22 H new ATOM 0 HD2 LYS A 78 -0.305 13.411 3.968 1.00 21.20 H new ATOM 0 HD3 LYS A 78 -1.524 13.952 5.104 1.00 21.20 H new ATOM 0 HE2 LYS A 78 -1.147 11.902 6.478 1.00 71.33 H new ATOM 0 HE3 LYS A 78 0.083 11.375 5.346 1.00 71.33 H new ATOM 0 HZ1 LYS A 78 1.058 12.472 7.251 1.00 32.42 H new ATOM 0 HZ2 LYS A 78 1.360 13.374 5.844 1.00 32.42 H new ATOM 0 HZ3 LYS A 78 0.169 13.885 6.941 1.00 32.42 H new ATOM 1308 N ASP A 79 -5.328 13.992 1.147 1.00 61.44 N ATOM 1309 CA ASP A 79 -5.828 15.016 0.213 1.00 21.33 C ATOM 1310 C ASP A 79 -6.201 14.403 -1.153 1.00 11.14 C ATOM 1311 O ASP A 79 -6.096 15.053 -2.195 1.00 63.44 O ATOM 1312 CB ASP A 79 -4.758 16.109 0.045 1.00 75.01 C ATOM 1313 CG ASP A 79 -5.341 17.456 -0.345 1.00 21.21 C ATOM 1314 OD1 ASP A 79 -5.913 18.132 0.537 1.00 43.42 O ATOM 1315 OD2 ASP A 79 -5.207 17.862 -1.520 1.00 63.12 O ATOM 0 H ASP A 79 -5.829 13.961 2.035 1.00 61.44 H new ATOM 0 HA ASP A 79 -6.737 15.454 0.626 1.00 21.33 H new ATOM 0 HB2 ASP A 79 -4.205 16.215 0.979 1.00 75.01 H new ATOM 0 HB3 ASP A 79 -4.042 15.795 -0.715 1.00 75.01 H new ATOM 1320 N VAL A 80 -6.665 13.156 -1.129 1.00 40.40 N ATOM 1321 CA VAL A 80 -6.927 12.396 -2.355 1.00 62.24 C ATOM 1322 C VAL A 80 -8.178 12.906 -3.106 1.00 1.31 C ATOM 1323 O VAL A 80 -9.170 13.300 -2.492 1.00 55.02 O ATOM 1324 CB VAL A 80 -7.089 10.885 -2.033 1.00 61.40 C ATOM 1325 CG1 VAL A 80 -8.393 10.615 -1.300 1.00 10.54 C ATOM 1326 CG2 VAL A 80 -7.006 10.037 -3.295 1.00 11.14 C ATOM 0 H VAL A 80 -6.869 12.645 -0.270 1.00 40.40 H new ATOM 0 HA VAL A 80 -6.066 12.542 -3.008 1.00 62.24 H new ATOM 0 HB VAL A 80 -6.264 10.604 -1.379 1.00 61.40 H new ATOM 0 HG11 VAL A 80 -8.478 9.549 -1.089 1.00 10.54 H new ATOM 0 HG12 VAL A 80 -8.406 11.173 -0.364 1.00 10.54 H new ATOM 0 HG13 VAL A 80 -9.232 10.929 -1.921 1.00 10.54 H new ATOM 0 HG21 VAL A 80 -7.123 8.985 -3.035 1.00 11.14 H new ATOM 0 HG22 VAL A 80 -7.798 10.331 -3.984 1.00 11.14 H new ATOM 0 HG23 VAL A 80 -6.037 10.187 -3.771 1.00 11.14 H new ATOM 1336 N ASN A 81 -8.113 12.909 -4.441 1.00 14.31 N ATOM 1337 CA ASN A 81 -9.261 13.289 -5.284 1.00 1.41 C ATOM 1338 C ASN A 81 -9.626 12.159 -6.268 1.00 44.14 C ATOM 1339 O ASN A 81 -8.942 11.139 -6.319 1.00 65.11 O ATOM 1340 CB ASN A 81 -8.963 14.605 -6.031 1.00 21.32 C ATOM 1341 CG ASN A 81 -7.599 14.636 -6.715 1.00 14.14 C ATOM 1342 OD1 ASN A 81 -6.950 15.677 -6.774 1.00 42.42 O ATOM 1343 ND2 ASN A 81 -7.161 13.521 -7.267 1.00 73.21 N ATOM 0 H ASN A 81 -7.277 12.653 -4.966 1.00 14.31 H new ATOM 0 HA ASN A 81 -10.124 13.450 -4.638 1.00 1.41 H new ATOM 0 HB2 ASN A 81 -9.737 14.769 -6.780 1.00 21.32 H new ATOM 0 HB3 ASN A 81 -9.023 15.433 -5.325 1.00 21.32 H new ATOM 0 HD21 ASN A 81 -6.266 13.511 -7.756 1.00 73.21 H new ATOM 0 HD22 ASN A 81 -7.718 12.668 -7.205 1.00 73.21 H new ATOM 1350 N LYS A 82 -10.694 12.347 -7.054 1.00 22.31 N ATOM 1351 CA LYS A 82 -11.135 11.332 -8.035 1.00 21.40 C ATOM 1352 C LYS A 82 -9.968 10.769 -8.870 1.00 3.22 C ATOM 1353 O LYS A 82 -9.873 9.560 -9.076 1.00 20.24 O ATOM 1354 CB LYS A 82 -12.193 11.920 -8.977 1.00 12.32 C ATOM 1355 CG LYS A 82 -13.558 12.166 -8.340 1.00 63.03 C ATOM 1356 CD LYS A 82 -14.270 10.855 -7.998 1.00 53.30 C ATOM 1357 CE LYS A 82 -15.773 11.049 -7.846 1.00 2.44 C ATOM 1358 NZ LYS A 82 -16.487 9.759 -7.651 1.00 50.40 N ATOM 0 H LYS A 82 -11.271 13.188 -7.034 1.00 22.31 H new ATOM 0 HA LYS A 82 -11.562 10.510 -7.460 1.00 21.40 H new ATOM 0 HB2 LYS A 82 -11.819 12.863 -9.375 1.00 12.32 H new ATOM 0 HB3 LYS A 82 -12.320 11.245 -9.823 1.00 12.32 H new ATOM 0 HG2 LYS A 82 -13.435 12.760 -7.434 1.00 63.03 H new ATOM 0 HG3 LYS A 82 -14.177 12.749 -9.022 1.00 63.03 H new ATOM 0 HD2 LYS A 82 -14.076 10.121 -8.780 1.00 53.30 H new ATOM 0 HD3 LYS A 82 -13.861 10.450 -7.073 1.00 53.30 H new ATOM 0 HE2 LYS A 82 -15.969 11.703 -6.997 1.00 2.44 H new ATOM 0 HE3 LYS A 82 -16.165 11.549 -8.732 1.00 2.44 H new ATOM 0 HZ1 LYS A 82 -17.455 9.945 -7.319 1.00 50.40 H new ATOM 0 HZ2 LYS A 82 -16.524 9.243 -8.553 1.00 50.40 H new ATOM 0 HZ3 LYS A 82 -15.983 9.186 -6.944 1.00 50.40 H new ATOM 1372 N LYS A 83 -9.088 11.658 -9.339 1.00 22.21 N ATOM 1373 CA LYS A 83 -7.924 11.266 -10.157 1.00 64.14 C ATOM 1374 C LYS A 83 -7.063 10.178 -9.487 1.00 62.23 C ATOM 1375 O LYS A 83 -6.442 9.360 -10.165 1.00 71.24 O ATOM 1376 CB LYS A 83 -7.049 12.499 -10.444 1.00 1.25 C ATOM 1377 CG LYS A 83 -7.707 13.531 -11.357 1.00 34.12 C ATOM 1378 CD LYS A 83 -7.916 12.979 -12.759 1.00 44.02 C ATOM 1379 CE LYS A 83 -8.475 14.032 -13.710 1.00 64.32 C ATOM 1380 NZ LYS A 83 -8.569 13.523 -15.104 1.00 24.23 N ATOM 0 H LYS A 83 -9.156 12.661 -9.168 1.00 22.21 H new ATOM 0 HA LYS A 83 -8.315 10.849 -11.085 1.00 64.14 H new ATOM 0 HB2 LYS A 83 -6.792 12.977 -9.499 1.00 1.25 H new ATOM 0 HB3 LYS A 83 -6.115 12.170 -10.899 1.00 1.25 H new ATOM 0 HG2 LYS A 83 -8.666 13.832 -10.936 1.00 34.12 H new ATOM 0 HG3 LYS A 83 -7.085 14.425 -11.405 1.00 34.12 H new ATOM 0 HD2 LYS A 83 -6.968 12.607 -13.147 1.00 44.02 H new ATOM 0 HD3 LYS A 83 -8.598 12.130 -12.716 1.00 44.02 H new ATOM 0 HE2 LYS A 83 -9.463 14.342 -13.369 1.00 64.32 H new ATOM 0 HE3 LYS A 83 -7.838 14.916 -13.688 1.00 64.32 H new ATOM 0 HZ1 LYS A 83 -8.953 14.267 -15.720 1.00 24.23 H new ATOM 0 HZ2 LYS A 83 -7.623 13.251 -15.439 1.00 24.23 H new ATOM 0 HZ3 LYS A 83 -9.197 12.694 -15.129 1.00 24.23 H new ATOM 1394 N ASP A 84 -7.038 10.172 -8.158 1.00 64.12 N ATOM 1395 CA ASP A 84 -6.175 9.260 -7.404 1.00 52.45 C ATOM 1396 C ASP A 84 -6.895 7.978 -6.957 1.00 60.43 C ATOM 1397 O ASP A 84 -6.301 7.136 -6.280 1.00 4.14 O ATOM 1398 CB ASP A 84 -5.561 9.978 -6.201 1.00 12.44 C ATOM 1399 CG ASP A 84 -4.580 11.054 -6.635 1.00 63.40 C ATOM 1400 OD1 ASP A 84 -3.459 10.700 -7.064 1.00 74.32 O ATOM 1401 OD2 ASP A 84 -4.934 12.248 -6.574 1.00 15.31 O ATOM 0 H ASP A 84 -7.606 10.789 -7.577 1.00 64.12 H new ATOM 0 HA ASP A 84 -5.382 8.948 -8.084 1.00 52.45 H new ATOM 0 HB2 ASP A 84 -6.353 10.427 -5.601 1.00 12.44 H new ATOM 0 HB3 ASP A 84 -5.051 9.254 -5.566 1.00 12.44 H new ATOM 1406 N ALA A 85 -8.169 7.821 -7.315 1.00 12.31 N ATOM 1407 CA ALA A 85 -8.881 6.579 -6.998 1.00 3.42 C ATOM 1408 C ALA A 85 -8.556 5.494 -8.035 1.00 72.43 C ATOM 1409 O ALA A 85 -8.431 5.774 -9.226 1.00 5.34 O ATOM 1410 CB ALA A 85 -10.385 6.828 -6.948 1.00 25.22 C ATOM 0 H ALA A 85 -8.721 8.519 -7.813 1.00 12.31 H new ATOM 0 HA ALA A 85 -8.552 6.233 -6.018 1.00 3.42 H new ATOM 0 HB1 ALA A 85 -10.900 5.897 -6.712 1.00 25.22 H new ATOM 0 HB2 ALA A 85 -10.606 7.570 -6.180 1.00 25.22 H new ATOM 0 HB3 ALA A 85 -10.725 7.195 -7.916 1.00 25.22 H new ATOM 1416 N GLY A 86 -8.418 4.257 -7.575 1.00 35.24 N ATOM 1417 CA GLY A 86 -8.078 3.162 -8.474 1.00 12.11 C ATOM 1418 C GLY A 86 -7.870 1.836 -7.749 1.00 14.41 C ATOM 1419 O GLY A 86 -8.124 1.723 -6.547 1.00 71.34 O ATOM 0 H GLY A 86 -8.534 3.989 -6.598 1.00 35.24 H new ATOM 0 HA2 GLY A 86 -8.872 3.045 -9.212 1.00 12.11 H new ATOM 0 HA3 GLY A 86 -7.170 3.417 -9.021 1.00 12.11 H new ATOM 1423 N TRP A 87 -7.402 0.832 -8.483 1.00 33.13 N ATOM 1424 CA TRP A 87 -6.970 -0.437 -7.884 1.00 73.34 C ATOM 1425 C TRP A 87 -5.443 -0.461 -7.696 1.00 72.43 C ATOM 1426 O TRP A 87 -4.686 -0.260 -8.649 1.00 74.22 O ATOM 1427 CB TRP A 87 -7.408 -1.625 -8.757 1.00 22.42 C ATOM 1428 CG TRP A 87 -8.846 -2.018 -8.581 1.00 11.34 C ATOM 1429 CD1 TRP A 87 -9.940 -1.403 -9.113 1.00 50.41 C ATOM 1430 CD2 TRP A 87 -9.337 -3.130 -7.824 1.00 55.54 C ATOM 1431 NE1 TRP A 87 -11.084 -2.058 -8.724 1.00 12.42 N ATOM 1432 CE2 TRP A 87 -10.739 -3.125 -7.937 1.00 20.31 C ATOM 1433 CE3 TRP A 87 -8.725 -4.130 -7.062 1.00 3.25 C ATOM 1434 CZ2 TRP A 87 -11.538 -4.081 -7.314 1.00 2.03 C ATOM 1435 CZ3 TRP A 87 -9.516 -5.078 -6.446 1.00 52.23 C ATOM 1436 CH2 TRP A 87 -10.911 -5.050 -6.576 1.00 30.32 C ATOM 0 H TRP A 87 -7.310 0.868 -9.498 1.00 33.13 H new ATOM 0 HA TRP A 87 -7.444 -0.524 -6.906 1.00 73.34 H new ATOM 0 HB2 TRP A 87 -7.236 -1.375 -9.804 1.00 22.42 H new ATOM 0 HB3 TRP A 87 -6.777 -2.483 -8.526 1.00 22.42 H new ATOM 0 HD1 TRP A 87 -9.912 -0.529 -9.747 1.00 50.41 H new ATOM 0 HE1 TRP A 87 -12.035 -1.793 -8.980 1.00 12.42 H new ATOM 0 HE3 TRP A 87 -7.651 -4.160 -6.957 1.00 3.25 H new ATOM 0 HZ2 TRP A 87 -12.614 -4.059 -7.409 1.00 2.03 H new ATOM 0 HZ3 TRP A 87 -9.053 -5.854 -5.854 1.00 52.23 H new ATOM 0 HH2 TRP A 87 -11.504 -5.807 -6.085 1.00 30.32 H new ATOM 1447 N TYR A 88 -5.001 -0.705 -6.464 1.00 62.21 N ATOM 1448 CA TYR A 88 -3.568 -0.771 -6.133 1.00 61.45 C ATOM 1449 C TYR A 88 -3.042 -2.220 -6.127 1.00 24.25 C ATOM 1450 O TYR A 88 -3.658 -3.113 -5.551 1.00 33.31 O ATOM 1451 CB TYR A 88 -3.311 -0.133 -4.757 1.00 44.22 C ATOM 1452 CG TYR A 88 -3.496 1.376 -4.716 1.00 63.31 C ATOM 1453 CD1 TYR A 88 -4.766 1.947 -4.731 1.00 55.23 C ATOM 1454 CD2 TYR A 88 -2.396 2.227 -4.653 1.00 13.34 C ATOM 1455 CE1 TYR A 88 -4.931 3.319 -4.689 1.00 14.23 C ATOM 1456 CE2 TYR A 88 -2.556 3.599 -4.610 1.00 75.33 C ATOM 1457 CZ TYR A 88 -3.823 4.141 -4.627 1.00 64.22 C ATOM 1458 OH TYR A 88 -3.983 5.509 -4.592 1.00 3.21 O ATOM 0 H TYR A 88 -5.617 -0.863 -5.667 1.00 62.21 H new ATOM 0 HA TYR A 88 -3.034 -0.219 -6.907 1.00 61.45 H new ATOM 0 HB2 TYR A 88 -3.982 -0.588 -4.029 1.00 44.22 H new ATOM 0 HB3 TYR A 88 -2.294 -0.370 -4.445 1.00 44.22 H new ATOM 0 HD1 TYR A 88 -5.636 1.308 -4.776 1.00 55.23 H new ATOM 0 HD2 TYR A 88 -1.401 1.808 -4.637 1.00 13.34 H new ATOM 0 HE1 TYR A 88 -5.923 3.746 -4.705 1.00 14.23 H new ATOM 0 HE2 TYR A 88 -1.691 4.244 -4.563 1.00 75.33 H new ATOM 0 HH TYR A 88 -3.104 5.940 -4.548 1.00 3.21 H new ATOM 1468 N THR A 89 -1.902 -2.437 -6.774 1.00 72.04 N ATOM 1469 CA THR A 89 -1.206 -3.731 -6.729 1.00 15.33 C ATOM 1470 C THR A 89 0.096 -3.612 -5.928 1.00 43.13 C ATOM 1471 O THR A 89 1.044 -2.950 -6.364 1.00 50.20 O ATOM 1472 CB THR A 89 -0.871 -4.262 -8.146 1.00 54.43 C ATOM 1473 OG1 THR A 89 -2.075 -4.477 -8.894 1.00 23.25 O ATOM 1474 CG2 THR A 89 -0.080 -5.568 -8.081 1.00 21.35 C ATOM 0 H THR A 89 -1.432 -1.732 -7.342 1.00 72.04 H new ATOM 0 HA THR A 89 -1.883 -4.435 -6.246 1.00 15.33 H new ATOM 0 HB THR A 89 -0.258 -3.509 -8.641 1.00 54.43 H new ATOM 0 HG1 THR A 89 -1.850 -4.811 -9.787 1.00 23.25 H new ATOM 0 HG21 THR A 89 0.138 -5.912 -9.092 1.00 21.35 H new ATOM 0 HG22 THR A 89 0.854 -5.401 -7.545 1.00 21.35 H new ATOM 0 HG23 THR A 89 -0.667 -6.324 -7.559 1.00 21.35 H new ATOM 1482 N VAL A 90 0.134 -4.249 -4.762 1.00 54.21 N ATOM 1483 CA VAL A 90 1.304 -4.184 -3.878 1.00 45.13 C ATOM 1484 C VAL A 90 2.198 -5.433 -4.006 1.00 52.14 C ATOM 1485 O VAL A 90 1.718 -6.569 -3.942 1.00 24.35 O ATOM 1486 CB VAL A 90 0.882 -3.995 -2.397 1.00 34.21 C ATOM 1487 CG1 VAL A 90 -0.093 -5.083 -1.954 1.00 31.22 C ATOM 1488 CG2 VAL A 90 2.109 -3.960 -1.483 1.00 21.04 C ATOM 0 H VAL A 90 -0.632 -4.819 -4.402 1.00 54.21 H new ATOM 0 HA VAL A 90 1.883 -3.317 -4.197 1.00 45.13 H new ATOM 0 HB VAL A 90 0.368 -3.037 -2.318 1.00 34.21 H new ATOM 0 HG11 VAL A 90 -0.369 -4.922 -0.912 1.00 31.22 H new ATOM 0 HG12 VAL A 90 -0.987 -5.046 -2.576 1.00 31.22 H new ATOM 0 HG13 VAL A 90 0.380 -6.060 -2.057 1.00 31.22 H new ATOM 0 HG21 VAL A 90 1.789 -3.827 -0.450 1.00 21.04 H new ATOM 0 HG22 VAL A 90 2.658 -4.897 -1.575 1.00 21.04 H new ATOM 0 HG23 VAL A 90 2.755 -3.131 -1.773 1.00 21.04 H new ATOM 1498 N SER A 91 3.498 -5.210 -4.184 1.00 2.32 N ATOM 1499 CA SER A 91 4.478 -6.302 -4.305 1.00 64.14 C ATOM 1500 C SER A 91 5.633 -6.123 -3.309 1.00 62.20 C ATOM 1501 O SER A 91 6.338 -5.115 -3.340 1.00 60.43 O ATOM 1502 CB SER A 91 5.042 -6.366 -5.732 1.00 65.31 C ATOM 1503 OG SER A 91 4.019 -6.614 -6.685 1.00 11.42 O ATOM 0 H SER A 91 3.906 -4.277 -4.249 1.00 2.32 H new ATOM 0 HA SER A 91 3.960 -7.234 -4.079 1.00 64.14 H new ATOM 0 HB2 SER A 91 5.542 -5.427 -5.969 1.00 65.31 H new ATOM 0 HB3 SER A 91 5.795 -7.152 -5.792 1.00 65.31 H new ATOM 0 HG SER A 91 4.410 -6.647 -7.583 1.00 11.42 H new ATOM 1509 N ALA A 92 5.814 -7.101 -2.424 1.00 14.41 N ATOM 1510 CA ALA A 92 6.911 -7.077 -1.447 1.00 12.21 C ATOM 1511 C ALA A 92 8.027 -8.050 -1.855 1.00 30.34 C ATOM 1512 O ALA A 92 7.815 -9.264 -1.890 1.00 74.32 O ATOM 1513 CB ALA A 92 6.381 -7.427 -0.061 1.00 55.23 C ATOM 0 H ALA A 92 5.215 -7.924 -2.360 1.00 14.41 H new ATOM 0 HA ALA A 92 7.331 -6.072 -1.422 1.00 12.21 H new ATOM 0 HB1 ALA A 92 7.200 -7.407 0.658 1.00 55.23 H new ATOM 0 HB2 ALA A 92 5.623 -6.701 0.233 1.00 55.23 H new ATOM 0 HB3 ALA A 92 5.940 -8.424 -0.081 1.00 55.23 H new ATOM 1519 N VAL A 93 9.215 -7.522 -2.158 1.00 61.04 N ATOM 1520 CA VAL A 93 10.314 -8.352 -2.673 1.00 62.25 C ATOM 1521 C VAL A 93 11.512 -8.451 -1.703 1.00 13.13 C ATOM 1522 O VAL A 93 12.156 -7.454 -1.363 1.00 64.20 O ATOM 1523 CB VAL A 93 10.798 -7.842 -4.057 1.00 3.03 C ATOM 1524 CG1 VAL A 93 11.288 -6.398 -3.976 1.00 74.32 C ATOM 1525 CG2 VAL A 93 11.884 -8.755 -4.626 1.00 32.44 C ATOM 0 H VAL A 93 9.443 -6.533 -2.058 1.00 61.04 H new ATOM 0 HA VAL A 93 9.902 -9.356 -2.778 1.00 62.25 H new ATOM 0 HB VAL A 93 9.945 -7.866 -4.735 1.00 3.03 H new ATOM 0 HG11 VAL A 93 11.620 -6.071 -4.961 1.00 74.32 H new ATOM 0 HG12 VAL A 93 10.475 -5.757 -3.635 1.00 74.32 H new ATOM 0 HG13 VAL A 93 12.119 -6.335 -3.274 1.00 74.32 H new ATOM 0 HG21 VAL A 93 12.206 -8.376 -5.596 1.00 32.44 H new ATOM 0 HG22 VAL A 93 12.734 -8.778 -3.944 1.00 32.44 H new ATOM 0 HG23 VAL A 93 11.487 -9.763 -4.744 1.00 32.44 H new ATOM 1535 N ASN A 94 11.762 -9.670 -1.232 1.00 3.41 N ATOM 1536 CA ASN A 94 12.973 -10.014 -0.477 1.00 75.34 C ATOM 1537 C ASN A 94 13.828 -10.982 -1.321 1.00 44.22 C ATOM 1538 O ASN A 94 13.288 -11.714 -2.150 1.00 34.31 O ATOM 1539 CB ASN A 94 12.569 -10.654 0.868 1.00 65.34 C ATOM 1540 CG ASN A 94 13.740 -10.986 1.789 1.00 63.52 C ATOM 1541 OD1 ASN A 94 14.833 -11.314 1.351 1.00 72.02 O ATOM 1542 ND2 ASN A 94 13.515 -10.904 3.083 1.00 45.23 N ATOM 0 H ASN A 94 11.126 -10.457 -1.363 1.00 3.41 H new ATOM 0 HA ASN A 94 13.562 -9.121 -0.267 1.00 75.34 H new ATOM 0 HB2 ASN A 94 11.894 -9.976 1.390 1.00 65.34 H new ATOM 0 HB3 ASN A 94 12.011 -11.568 0.667 1.00 65.34 H new ATOM 0 HD21 ASN A 94 14.261 -11.116 3.745 1.00 45.23 H new ATOM 0 HD22 ASN A 94 12.594 -10.628 3.424 1.00 45.23 H new ATOM 1549 N GLU A 95 15.149 -11.005 -1.119 1.00 4.12 N ATOM 1550 CA GLU A 95 16.010 -11.930 -1.874 1.00 61.30 C ATOM 1551 C GLU A 95 15.602 -13.393 -1.608 1.00 51.35 C ATOM 1552 O GLU A 95 15.810 -14.274 -2.446 1.00 73.32 O ATOM 1553 CB GLU A 95 17.501 -11.720 -1.536 1.00 21.44 C ATOM 1554 CG GLU A 95 17.900 -12.126 -0.120 1.00 53.20 C ATOM 1555 CD GLU A 95 19.402 -12.016 0.113 1.00 33.21 C ATOM 1556 OE1 GLU A 95 20.128 -13.007 -0.130 1.00 72.12 O ATOM 1557 OE2 GLU A 95 19.868 -10.937 0.539 1.00 32.23 O ATOM 0 H GLU A 95 15.641 -10.408 -0.454 1.00 4.12 H new ATOM 0 HA GLU A 95 15.873 -11.714 -2.934 1.00 61.30 H new ATOM 0 HB2 GLU A 95 18.103 -12.288 -2.245 1.00 21.44 H new ATOM 0 HB3 GLU A 95 17.747 -10.668 -1.680 1.00 21.44 H new ATOM 0 HG2 GLU A 95 17.376 -11.494 0.598 1.00 53.20 H new ATOM 0 HG3 GLU A 95 17.580 -13.151 0.065 1.00 53.20 H new ATOM 1564 N ALA A 96 15.020 -13.636 -0.433 1.00 41.12 N ATOM 1565 CA ALA A 96 14.492 -14.960 -0.071 1.00 73.42 C ATOM 1566 C ALA A 96 13.212 -15.314 -0.856 1.00 44.11 C ATOM 1567 O ALA A 96 12.915 -16.489 -1.070 1.00 52.43 O ATOM 1568 CB ALA A 96 14.222 -15.021 1.430 1.00 41.20 C ATOM 0 H ALA A 96 14.900 -12.929 0.292 1.00 41.12 H new ATOM 0 HA ALA A 96 15.249 -15.697 -0.338 1.00 73.42 H new ATOM 0 HB1 ALA A 96 13.831 -16.005 1.690 1.00 41.20 H new ATOM 0 HB2 ALA A 96 15.150 -14.844 1.974 1.00 41.20 H new ATOM 0 HB3 ALA A 96 13.492 -14.258 1.700 1.00 41.20 H new ATOM 1574 N GLY A 97 12.458 -14.296 -1.279 1.00 51.34 N ATOM 1575 CA GLY A 97 11.203 -14.530 -1.992 1.00 65.33 C ATOM 1576 C GLY A 97 10.377 -13.259 -2.192 1.00 64.41 C ATOM 1577 O GLY A 97 10.681 -12.212 -1.619 1.00 74.12 O ATOM 0 H GLY A 97 12.692 -13.313 -1.142 1.00 51.34 H new ATOM 0 HA2 GLY A 97 11.422 -14.970 -2.965 1.00 65.33 H new ATOM 0 HA3 GLY A 97 10.609 -15.258 -1.439 1.00 65.33 H new ATOM 1581 N VAL A 98 9.316 -13.354 -2.990 1.00 31.51 N ATOM 1582 CA VAL A 98 8.460 -12.199 -3.302 1.00 74.04 C ATOM 1583 C VAL A 98 6.965 -12.582 -3.283 1.00 14.54 C ATOM 1584 O VAL A 98 6.593 -13.703 -3.637 1.00 62.00 O ATOM 1585 CB VAL A 98 8.827 -11.596 -4.685 1.00 71.14 C ATOM 1586 CG1 VAL A 98 8.695 -12.645 -5.786 1.00 65.30 C ATOM 1587 CG2 VAL A 98 7.971 -10.367 -4.999 1.00 44.13 C ATOM 0 H VAL A 98 9.023 -14.222 -3.438 1.00 31.51 H new ATOM 0 HA VAL A 98 8.635 -11.451 -2.529 1.00 74.04 H new ATOM 0 HB VAL A 98 9.868 -11.275 -4.643 1.00 71.14 H new ATOM 0 HG11 VAL A 98 8.957 -12.200 -6.746 1.00 65.30 H new ATOM 0 HG12 VAL A 98 9.366 -13.478 -5.577 1.00 65.30 H new ATOM 0 HG13 VAL A 98 7.668 -13.007 -5.822 1.00 65.30 H new ATOM 0 HG21 VAL A 98 8.252 -9.968 -5.974 1.00 44.13 H new ATOM 0 HG22 VAL A 98 6.919 -10.650 -5.012 1.00 44.13 H new ATOM 0 HG23 VAL A 98 8.132 -9.606 -4.235 1.00 44.13 H new ATOM 1597 N THR A 99 6.115 -11.643 -2.864 1.00 11.23 N ATOM 1598 CA THR A 99 4.660 -11.871 -2.804 1.00 20.24 C ATOM 1599 C THR A 99 3.873 -10.623 -3.235 1.00 15.50 C ATOM 1600 O THR A 99 4.276 -9.494 -2.943 1.00 60.24 O ATOM 1601 CB THR A 99 4.208 -12.299 -1.386 1.00 5.00 C ATOM 1602 OG1 THR A 99 2.785 -12.492 -1.357 1.00 42.15 O ATOM 1603 CG2 THR A 99 4.611 -11.265 -0.333 1.00 4.43 C ATOM 0 H THR A 99 6.405 -10.714 -2.559 1.00 11.23 H new ATOM 0 HA THR A 99 4.445 -12.681 -3.501 1.00 20.24 H new ATOM 0 HB THR A 99 4.708 -13.238 -1.148 1.00 5.00 H new ATOM 0 HG1 THR A 99 2.529 -12.914 -0.510 1.00 42.15 H new ATOM 0 HG21 THR A 99 4.278 -11.598 0.650 1.00 4.43 H new ATOM 0 HG22 THR A 99 5.695 -11.152 -0.330 1.00 4.43 H new ATOM 0 HG23 THR A 99 4.147 -10.307 -0.568 1.00 4.43 H new ATOM 1611 N THR A 100 2.752 -10.833 -3.929 1.00 1.51 N ATOM 1612 CA THR A 100 1.947 -9.726 -4.484 1.00 71.11 C ATOM 1613 C THR A 100 0.456 -9.845 -4.104 1.00 4.33 C ATOM 1614 O THR A 100 -0.098 -10.947 -4.038 1.00 61.15 O ATOM 1615 CB THR A 100 2.072 -9.674 -6.032 1.00 40.34 C ATOM 1616 OG1 THR A 100 3.438 -9.433 -6.409 1.00 33.41 O ATOM 1617 CG2 THR A 100 1.186 -8.585 -6.631 1.00 44.44 C ATOM 0 H THR A 100 2.375 -11.760 -4.124 1.00 1.51 H new ATOM 0 HA THR A 100 2.342 -8.807 -4.050 1.00 71.11 H new ATOM 0 HB THR A 100 1.743 -10.638 -6.420 1.00 40.34 H new ATOM 0 HG1 THR A 100 3.593 -8.468 -6.477 1.00 33.41 H new ATOM 0 HG21 THR A 100 1.300 -8.579 -7.715 1.00 44.44 H new ATOM 0 HG22 THR A 100 0.145 -8.782 -6.377 1.00 44.44 H new ATOM 0 HG23 THR A 100 1.480 -7.615 -6.230 1.00 44.44 H new ATOM 1625 N CYS A 101 -0.188 -8.700 -3.865 1.00 44.42 N ATOM 1626 CA CYS A 101 -1.625 -8.650 -3.539 1.00 2.51 C ATOM 1627 C CYS A 101 -2.304 -7.429 -4.182 1.00 53.12 C ATOM 1628 O CYS A 101 -1.641 -6.467 -4.571 1.00 70.35 O ATOM 1629 CB CYS A 101 -1.834 -8.607 -2.019 1.00 14.43 C ATOM 1630 SG CYS A 101 -3.568 -8.488 -1.514 1.00 31.20 S ATOM 0 H CYS A 101 0.263 -7.785 -3.890 1.00 44.42 H new ATOM 0 HA CYS A 101 -2.081 -9.554 -3.942 1.00 2.51 H new ATOM 0 HB2 CYS A 101 -1.399 -9.504 -1.578 1.00 14.43 H new ATOM 0 HB3 CYS A 101 -1.289 -7.755 -1.612 1.00 14.43 H new ATOM 0 HG CYS A 101 -3.641 -8.460 -0.216 1.00 31.20 H new ATOM 1636 N ASN A 102 -3.634 -7.477 -4.283 1.00 51.04 N ATOM 1637 CA ASN A 102 -4.419 -6.380 -4.877 1.00 62.44 C ATOM 1638 C ASN A 102 -5.278 -5.656 -3.824 1.00 64.42 C ATOM 1639 O ASN A 102 -5.698 -6.251 -2.829 1.00 75.02 O ATOM 1640 CB ASN A 102 -5.313 -6.918 -6.003 1.00 21.12 C ATOM 1641 CG ASN A 102 -4.509 -7.554 -7.125 1.00 3.45 C ATOM 1642 OD1 ASN A 102 -4.257 -8.755 -7.122 1.00 43.44 O ATOM 1643 ND2 ASN A 102 -4.098 -6.757 -8.091 1.00 4.52 N ATOM 0 H ASN A 102 -4.196 -8.265 -3.961 1.00 51.04 H new ATOM 0 HA ASN A 102 -3.715 -5.656 -5.287 1.00 62.44 H new ATOM 0 HB2 ASN A 102 -6.006 -7.653 -5.594 1.00 21.12 H new ATOM 0 HB3 ASN A 102 -5.914 -6.104 -6.407 1.00 21.12 H new ATOM 0 HD21 ASN A 102 -3.553 -7.134 -8.866 1.00 4.52 H new ATOM 0 HD22 ASN A 102 -4.325 -5.763 -8.063 1.00 4.52 H new ATOM 1650 N THR A 103 -5.520 -4.365 -4.049 1.00 31.32 N ATOM 1651 CA THR A 103 -6.314 -3.529 -3.130 1.00 42.14 C ATOM 1652 C THR A 103 -7.160 -2.503 -3.905 1.00 74.40 C ATOM 1653 O THR A 103 -6.766 -2.057 -4.978 1.00 14.01 O ATOM 1654 CB THR A 103 -5.401 -2.781 -2.126 1.00 15.51 C ATOM 1655 OG1 THR A 103 -4.575 -3.722 -1.431 1.00 33.53 O ATOM 1656 CG2 THR A 103 -6.218 -1.980 -1.112 1.00 65.33 C ATOM 0 H THR A 103 -5.176 -3.865 -4.868 1.00 31.32 H new ATOM 0 HA THR A 103 -6.977 -4.197 -2.581 1.00 42.14 H new ATOM 0 HB THR A 103 -4.783 -2.084 -2.692 1.00 15.51 H new ATOM 0 HG1 THR A 103 -3.641 -3.428 -1.468 1.00 33.53 H new ATOM 0 HG21 THR A 103 -5.544 -1.469 -0.424 1.00 65.33 H new ATOM 0 HG22 THR A 103 -6.828 -1.244 -1.636 1.00 65.33 H new ATOM 0 HG23 THR A 103 -6.865 -2.655 -0.552 1.00 65.33 H new ATOM 1664 N ARG A 104 -8.327 -2.140 -3.372 1.00 64.23 N ATOM 1665 CA ARG A 104 -9.204 -1.149 -4.026 1.00 43.03 C ATOM 1666 C ARG A 104 -9.345 0.139 -3.189 1.00 2.44 C ATOM 1667 O ARG A 104 -9.442 0.088 -1.962 1.00 73.34 O ATOM 1668 CB ARG A 104 -10.592 -1.759 -4.286 1.00 11.42 C ATOM 1669 CG ARG A 104 -11.599 -0.770 -4.871 1.00 55.04 C ATOM 1670 CD ARG A 104 -12.954 -1.419 -5.150 1.00 73.44 C ATOM 1671 NE ARG A 104 -13.957 -0.430 -5.528 1.00 71.42 N ATOM 1672 CZ ARG A 104 -14.964 -0.651 -6.325 1.00 52.04 C ATOM 1673 NH1 ARG A 104 -15.127 -1.810 -6.879 1.00 64.35 N ATOM 1674 NH2 ARG A 104 -15.798 0.304 -6.573 1.00 3.14 N ATOM 0 H ARG A 104 -8.692 -2.511 -2.495 1.00 64.23 H new ATOM 0 HA ARG A 104 -8.740 -0.878 -4.974 1.00 43.03 H new ATOM 0 HB2 ARG A 104 -10.486 -2.602 -4.968 1.00 11.42 H new ATOM 0 HB3 ARG A 104 -10.986 -2.154 -3.350 1.00 11.42 H new ATOM 0 HG2 ARG A 104 -11.732 0.061 -4.179 1.00 55.04 H new ATOM 0 HG3 ARG A 104 -11.201 -0.354 -5.796 1.00 55.04 H new ATOM 0 HD2 ARG A 104 -12.848 -2.154 -5.948 1.00 73.44 H new ATOM 0 HD3 ARG A 104 -13.289 -1.957 -4.263 1.00 73.44 H new ATOM 0 HE ARG A 104 -13.863 0.508 -5.138 1.00 71.42 H new ATOM 0 HH11 ARG A 104 -14.463 -2.562 -6.693 1.00 64.35 H new ATOM 0 HH12 ARG A 104 -15.919 -1.971 -7.501 1.00 64.35 H new ATOM 0 HH21 ARG A 104 -15.665 1.221 -6.146 1.00 3.14 H new ATOM 0 HH22 ARG A 104 -16.589 0.141 -7.196 1.00 3.14 H new ATOM 1688 N LEU A 105 -9.352 1.291 -3.866 1.00 5.32 N ATOM 1689 CA LEU A 105 -9.556 2.591 -3.207 1.00 53.32 C ATOM 1690 C LEU A 105 -10.569 3.451 -3.987 1.00 45.02 C ATOM 1691 O LEU A 105 -10.373 3.735 -5.171 1.00 0.54 O ATOM 1692 CB LEU A 105 -8.224 3.347 -3.085 1.00 23.24 C ATOM 1693 CG LEU A 105 -8.307 4.709 -2.371 1.00 23.00 C ATOM 1694 CD1 LEU A 105 -8.657 4.530 -0.896 1.00 12.30 C ATOM 1695 CD2 LEU A 105 -7.001 5.480 -2.532 1.00 0.13 C ATOM 0 H LEU A 105 -9.218 1.353 -4.875 1.00 5.32 H new ATOM 0 HA LEU A 105 -9.953 2.401 -2.210 1.00 53.32 H new ATOM 0 HB2 LEU A 105 -7.514 2.716 -2.549 1.00 23.24 H new ATOM 0 HB3 LEU A 105 -7.820 3.503 -4.085 1.00 23.24 H new ATOM 0 HG LEU A 105 -9.104 5.290 -2.836 1.00 23.00 H new ATOM 0 HD11 LEU A 105 -8.710 5.506 -0.414 1.00 12.30 H new ATOM 0 HD12 LEU A 105 -9.621 4.030 -0.809 1.00 12.30 H new ATOM 0 HD13 LEU A 105 -7.890 3.926 -0.411 1.00 12.30 H new ATOM 0 HD21 LEU A 105 -7.079 6.439 -2.021 1.00 0.13 H new ATOM 0 HD22 LEU A 105 -6.183 4.904 -2.099 1.00 0.13 H new ATOM 0 HD23 LEU A 105 -6.806 5.648 -3.591 1.00 0.13 H new ATOM 1707 N ASP A 106 -11.642 3.868 -3.317 1.00 22.11 N ATOM 1708 CA ASP A 106 -12.697 4.670 -3.950 1.00 0.25 C ATOM 1709 C ASP A 106 -12.719 6.113 -3.416 1.00 10.35 C ATOM 1710 O ASP A 106 -12.514 6.358 -2.224 1.00 14.33 O ATOM 1711 CB ASP A 106 -14.060 4.023 -3.702 1.00 4.44 C ATOM 1712 CG ASP A 106 -14.169 2.631 -4.294 1.00 14.23 C ATOM 1713 OD1 ASP A 106 -13.775 1.659 -3.619 1.00 11.22 O ATOM 1714 OD2 ASP A 106 -14.657 2.502 -5.437 1.00 71.23 O ATOM 0 H ASP A 106 -11.807 3.664 -2.331 1.00 22.11 H new ATOM 0 HA ASP A 106 -12.484 4.706 -5.018 1.00 0.25 H new ATOM 0 HB2 ASP A 106 -14.242 3.971 -2.629 1.00 4.44 H new ATOM 0 HB3 ASP A 106 -14.839 4.655 -4.127 1.00 4.44 H new ATOM 1719 N VAL A 107 -12.983 7.069 -4.306 1.00 32.53 N ATOM 1720 CA VAL A 107 -13.118 8.477 -3.921 1.00 43.01 C ATOM 1721 C VAL A 107 -14.394 9.094 -4.520 1.00 61.40 C ATOM 1722 O VAL A 107 -14.750 8.829 -5.669 1.00 45.34 O ATOM 1723 CB VAL A 107 -11.888 9.314 -4.363 1.00 61.31 C ATOM 1724 CG1 VAL A 107 -12.049 10.775 -3.950 1.00 62.31 C ATOM 1725 CG2 VAL A 107 -10.595 8.732 -3.788 1.00 63.33 C ATOM 0 H VAL A 107 -13.108 6.895 -5.303 1.00 32.53 H new ATOM 0 HA VAL A 107 -13.182 8.500 -2.833 1.00 43.01 H new ATOM 0 HB VAL A 107 -11.826 9.270 -5.450 1.00 61.31 H new ATOM 0 HG11 VAL A 107 -11.175 11.342 -4.270 1.00 62.31 H new ATOM 0 HG12 VAL A 107 -12.942 11.189 -4.418 1.00 62.31 H new ATOM 0 HG13 VAL A 107 -12.145 10.838 -2.866 1.00 62.31 H new ATOM 0 HG21 VAL A 107 -9.748 9.337 -4.112 1.00 63.33 H new ATOM 0 HG22 VAL A 107 -10.647 8.735 -2.699 1.00 63.33 H new ATOM 0 HG23 VAL A 107 -10.467 7.709 -4.142 1.00 63.33 H new ATOM 1735 N THR A 108 -15.077 9.915 -3.731 1.00 43.03 N ATOM 1736 CA THR A 108 -16.305 10.592 -4.170 1.00 20.33 C ATOM 1737 C THR A 108 -16.108 12.113 -4.213 1.00 4.50 C ATOM 1738 O THR A 108 -15.402 12.683 -3.378 1.00 63.43 O ATOM 1739 CB THR A 108 -17.494 10.247 -3.238 1.00 54.11 C ATOM 1740 OG1 THR A 108 -17.817 8.852 -3.343 1.00 42.11 O ATOM 1741 CG2 THR A 108 -18.737 11.080 -3.553 1.00 40.31 C ATOM 0 H THR A 108 -14.803 10.133 -2.773 1.00 43.03 H new ATOM 0 HA THR A 108 -16.532 10.237 -5.175 1.00 20.33 H new ATOM 0 HB THR A 108 -17.181 10.483 -2.221 1.00 54.11 H new ATOM 0 HG1 THR A 108 -18.568 8.645 -2.749 1.00 42.11 H new ATOM 0 HG21 THR A 108 -19.543 10.802 -2.874 1.00 40.31 H new ATOM 0 HG22 THR A 108 -18.507 12.138 -3.429 1.00 40.31 H new ATOM 0 HG23 THR A 108 -19.049 10.894 -4.581 1.00 40.31 H new ATOM 1749 N ALA A 109 -16.749 12.767 -5.182 1.00 30.42 N ATOM 1750 CA ALA A 109 -16.569 14.206 -5.400 1.00 61.42 C ATOM 1751 C ALA A 109 -17.314 15.045 -4.352 1.00 13.31 C ATOM 1752 O ALA A 109 -18.520 14.879 -4.153 1.00 31.54 O ATOM 1753 CB ALA A 109 -17.028 14.584 -6.807 1.00 11.24 C ATOM 0 H ALA A 109 -17.399 12.324 -5.831 1.00 30.42 H new ATOM 0 HA ALA A 109 -15.506 14.425 -5.295 1.00 61.42 H new ATOM 0 HB1 ALA A 109 -16.890 15.655 -6.959 1.00 11.24 H new ATOM 0 HB2 ALA A 109 -16.440 14.034 -7.542 1.00 11.24 H new ATOM 0 HB3 ALA A 109 -18.082 14.333 -6.925 1.00 11.24 H new ATOM 1759 N ARG A 110 -16.593 15.951 -3.687 1.00 54.42 N ATOM 1760 CA ARG A 110 -17.205 16.829 -2.684 1.00 75.24 C ATOM 1761 C ARG A 110 -18.106 17.894 -3.329 1.00 25.52 C ATOM 1762 O ARG A 110 -17.688 18.607 -4.242 1.00 11.42 O ATOM 1763 CB ARG A 110 -16.141 17.528 -1.823 1.00 63.54 C ATOM 1764 CG ARG A 110 -15.503 16.630 -0.768 1.00 3.13 C ATOM 1765 CD ARG A 110 -14.699 17.437 0.246 1.00 34.04 C ATOM 1766 NE ARG A 110 -14.135 16.591 1.293 1.00 75.43 N ATOM 1767 CZ ARG A 110 -13.225 16.981 2.137 1.00 1.12 C ATOM 1768 NH1 ARG A 110 -12.750 18.184 2.095 1.00 43.03 N ATOM 1769 NH2 ARG A 110 -12.787 16.163 3.026 1.00 61.54 N ATOM 0 H ARG A 110 -15.593 16.096 -3.823 1.00 54.42 H new ATOM 0 HA ARG A 110 -17.816 16.187 -2.049 1.00 75.24 H new ATOM 0 HB2 ARG A 110 -15.359 17.916 -2.476 1.00 63.54 H new ATOM 0 HB3 ARG A 110 -16.596 18.385 -1.327 1.00 63.54 H new ATOM 0 HG2 ARG A 110 -16.280 16.067 -0.251 1.00 3.13 H new ATOM 0 HG3 ARG A 110 -14.852 15.903 -1.254 1.00 3.13 H new ATOM 0 HD2 ARG A 110 -13.895 17.965 -0.266 1.00 34.04 H new ATOM 0 HD3 ARG A 110 -15.340 18.194 0.697 1.00 34.04 H new ATOM 0 HE ARG A 110 -14.476 15.633 1.368 1.00 75.43 H new ATOM 0 HH11 ARG A 110 -13.089 18.842 1.393 1.00 43.03 H new ATOM 0 HH12 ARG A 110 -12.037 18.474 2.764 1.00 43.03 H new ATOM 0 HH21 ARG A 110 -13.153 15.212 3.068 1.00 61.54 H new ATOM 0 HH22 ARG A 110 -12.074 16.465 3.689 1.00 61.54 H new ATOM 1783 N PRO A 111 -19.358 18.016 -2.849 1.00 3.21 N ATOM 1784 CA PRO A 111 -20.289 19.049 -3.305 1.00 44.32 C ATOM 1785 C PRO A 111 -20.155 20.358 -2.504 1.00 21.51 C ATOM 1786 O PRO A 111 -20.893 21.321 -2.734 1.00 63.54 O ATOM 1787 CB PRO A 111 -21.646 18.391 -3.055 1.00 71.35 C ATOM 1788 CG PRO A 111 -21.438 17.547 -1.837 1.00 51.24 C ATOM 1789 CD PRO A 111 -19.979 17.140 -1.832 1.00 64.32 C ATOM 0 HA PRO A 111 -20.118 19.347 -4.339 1.00 44.32 H new ATOM 0 HB2 PRO A 111 -22.424 19.137 -2.892 1.00 71.35 H new ATOM 0 HB3 PRO A 111 -21.957 17.787 -3.907 1.00 71.35 H new ATOM 0 HG2 PRO A 111 -21.687 18.104 -0.934 1.00 51.24 H new ATOM 0 HG3 PRO A 111 -22.084 16.670 -1.859 1.00 51.24 H new ATOM 0 HD2 PRO A 111 -19.528 17.286 -0.851 1.00 64.32 H new ATOM 0 HD3 PRO A 111 -19.858 16.087 -2.085 1.00 64.32 H new ATOM 1797 N ASN A 112 -19.219 20.378 -1.557 1.00 41.33 N ATOM 1798 CA ASN A 112 -19.034 21.522 -0.657 1.00 3.14 C ATOM 1799 C ASN A 112 -17.557 21.947 -0.579 1.00 50.14 C ATOM 1800 O ASN A 112 -16.660 21.106 -0.499 1.00 35.30 O ATOM 1801 CB ASN A 112 -19.560 21.155 0.736 1.00 24.22 C ATOM 1802 CG ASN A 112 -19.417 22.273 1.752 1.00 33.14 C ATOM 1803 OD1 ASN A 112 -19.441 23.449 1.410 1.00 32.53 O ATOM 1804 ND2 ASN A 112 -19.284 21.912 3.012 1.00 23.23 N ATOM 0 H ASN A 112 -18.570 19.609 -1.390 1.00 41.33 H new ATOM 0 HA ASN A 112 -19.594 22.370 -1.052 1.00 3.14 H new ATOM 0 HB2 ASN A 112 -20.612 20.879 0.657 1.00 24.22 H new ATOM 0 HB3 ASN A 112 -19.026 20.276 1.097 1.00 24.22 H new ATOM 0 HD21 ASN A 112 -19.197 22.622 3.739 1.00 23.23 H new ATOM 0 HD22 ASN A 112 -19.268 20.923 3.260 1.00 23.23 H new ATOM 1811 N GLN A 113 -17.321 23.258 -0.605 1.00 70.42 N ATOM 1812 CA GLN A 113 -15.966 23.820 -0.532 1.00 70.12 C ATOM 1813 C GLN A 113 -15.565 24.140 0.917 1.00 72.24 C ATOM 1814 O GLN A 113 -16.394 24.536 1.736 1.00 44.13 O ATOM 1815 CB GLN A 113 -15.879 25.093 -1.396 1.00 14.34 C ATOM 1816 CG GLN A 113 -14.585 25.900 -1.224 1.00 4.04 C ATOM 1817 CD GLN A 113 -13.332 25.168 -1.691 1.00 74.14 C ATOM 1818 OE1 GLN A 113 -13.248 23.944 -1.659 1.00 2.32 O ATOM 1819 NE2 GLN A 113 -12.337 25.916 -2.118 1.00 15.20 N ATOM 0 H GLN A 113 -18.057 23.960 -0.677 1.00 70.42 H new ATOM 0 HA GLN A 113 -15.271 23.072 -0.913 1.00 70.12 H new ATOM 0 HB2 GLN A 113 -15.978 24.811 -2.444 1.00 14.34 H new ATOM 0 HB3 GLN A 113 -16.726 25.736 -1.157 1.00 14.34 H new ATOM 0 HG2 GLN A 113 -14.675 26.834 -1.778 1.00 4.04 H new ATOM 0 HG3 GLN A 113 -14.470 26.163 -0.172 1.00 4.04 H new ATOM 0 HE21 GLN A 113 -12.433 26.931 -2.134 1.00 15.20 H new ATOM 0 HE22 GLN A 113 -11.470 25.480 -2.433 1.00 15.20 H new ATOM 1828 N THR A 114 -14.282 23.963 1.225 1.00 51.41 N ATOM 1829 CA THR A 114 -13.748 24.281 2.555 1.00 14.24 C ATOM 1830 C THR A 114 -13.354 25.761 2.657 1.00 10.34 C ATOM 1831 O THR A 114 -12.314 26.169 2.144 1.00 42.40 O ATOM 1832 CB THR A 114 -12.507 23.416 2.887 1.00 31.45 C ATOM 1833 OG1 THR A 114 -11.449 23.679 1.947 1.00 31.32 O ATOM 1834 CG2 THR A 114 -12.851 21.930 2.866 1.00 52.30 C ATOM 0 H THR A 114 -13.588 23.600 0.572 1.00 51.41 H new ATOM 0 HA THR A 114 -14.542 24.065 3.270 1.00 14.24 H new ATOM 0 HB THR A 114 -12.175 23.681 3.891 1.00 31.45 H new ATOM 0 HG1 THR A 114 -11.454 24.629 1.706 1.00 31.32 H new ATOM 0 HG21 THR A 114 -11.961 21.347 3.103 1.00 52.30 H new ATOM 0 HG22 THR A 114 -13.626 21.725 3.605 1.00 52.30 H new ATOM 0 HG23 THR A 114 -13.213 21.654 1.875 1.00 52.30 H new ATOM 1842 N LEU A 115 -14.194 26.567 3.308 1.00 25.03 N ATOM 1843 CA LEU A 115 -13.905 27.997 3.502 1.00 73.10 C ATOM 1844 C LEU A 115 -12.758 28.202 4.512 1.00 74.33 C ATOM 1845 O LEU A 115 -12.928 27.946 5.711 1.00 52.41 O ATOM 1846 CB LEU A 115 -15.161 28.751 3.983 1.00 30.03 C ATOM 1847 CG LEU A 115 -16.283 28.935 2.938 1.00 41.10 C ATOM 1848 CD1 LEU A 115 -16.913 27.600 2.554 1.00 4.52 C ATOM 1849 CD2 LEU A 115 -17.347 29.905 3.455 1.00 23.41 C ATOM 0 H LEU A 115 -15.079 26.259 3.711 1.00 25.03 H new ATOM 0 HA LEU A 115 -13.597 28.401 2.538 1.00 73.10 H new ATOM 0 HB2 LEU A 115 -15.574 28.219 4.840 1.00 30.03 H new ATOM 0 HB3 LEU A 115 -14.856 29.736 4.336 1.00 30.03 H new ATOM 0 HG LEU A 115 -15.833 29.359 2.040 1.00 41.10 H new ATOM 0 HD11 LEU A 115 -17.699 27.767 1.817 1.00 4.52 H new ATOM 0 HD12 LEU A 115 -16.151 26.946 2.130 1.00 4.52 H new ATOM 0 HD13 LEU A 115 -17.341 27.131 3.440 1.00 4.52 H new ATOM 0 HD21 LEU A 115 -18.129 30.021 2.704 1.00 23.41 H new ATOM 0 HD22 LEU A 115 -17.782 29.512 4.374 1.00 23.41 H new ATOM 0 HD23 LEU A 115 -16.889 30.874 3.656 1.00 23.41 H new ATOM 1861 N PRO A 116 -11.572 28.656 4.046 1.00 44.04 N ATOM 1862 CA PRO A 116 -10.403 28.894 4.922 1.00 51.41 C ATOM 1863 C PRO A 116 -10.677 29.935 6.028 1.00 42.31 C ATOM 1864 O PRO A 116 -10.804 31.142 5.704 1.00 37.91 O ATOM 1865 CB PRO A 116 -9.318 29.398 3.952 1.00 44.11 C ATOM 1866 CG PRO A 116 -9.758 28.925 2.606 1.00 4.21 C ATOM 1867 CD PRO A 116 -11.262 28.961 2.635 1.00 40.25 C ATOM 1868 OXT PRO A 116 -10.748 29.541 7.216 1.00 37.91 O ATOM 0 HA PRO A 116 -10.121 27.991 5.464 1.00 51.41 H new ATOM 0 HB2 PRO A 116 -9.235 30.484 3.982 1.00 44.11 H new ATOM 0 HB3 PRO A 116 -8.338 28.996 4.211 1.00 44.11 H new ATOM 0 HG2 PRO A 116 -9.366 29.567 1.818 1.00 4.21 H new ATOM 0 HG3 PRO A 116 -9.394 27.917 2.407 1.00 4.21 H new ATOM 0 HD2 PRO A 116 -11.649 29.936 2.338 1.00 40.25 H new ATOM 0 HD3 PRO A 116 -11.697 28.226 1.958 1.00 40.25 H new TER 1876 PRO A 116