USER MOD reduce.3.24.130724 H: found=0, std=0, add=956, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 956 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 90 HIS : no HE2:sc= 1.04 K(o=-2.2,f=-6.4!) USER MOD Set 1.2: A 95 GLN : amide:sc= -3.22 K(o=-2.2,f=-3.8!) USER MOD Set 2.1: A 36 GLN : amide:sc= 0 X(o=0.51,f=0.22) USER MOD Set 2.2: A 57 SER OG : rot -80:sc= 0.509 USER MOD Set 3.1: A 30 GLN : amide:sc= 0.579 K(o=2.6,f=-0.087) USER MOD Set 3.2: A 54 SER OG : rot -80:sc= 1.28 USER MOD Set 3.3: A 63 HIS : no HD1:sc= 0.72 K(o=2.6,f=-7.9!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -174:sc= 0 (180deg=-0.0646) USER MOD Single : A 3 HIS : no HD1:sc= -0.0358 X(o=-0.036,f=0) USER MOD Single : A 4 HIS : no HE2:sc= 0.604 K(o=0.6,f=-3.2!) 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 X(o=0,f=-0.0078) USER MOD Single : A 7 HIS : no HE2:sc= -0.674 K(o=-0.67,f=-3.3!) USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=-0.01) USER MOD Single : A 9 SER OG : rot -40:sc= 0.831 USER MOD Single : A 10 HIS : no HE2:sc= 1.28 K(o=1.3,f=-4.1!) USER MOD Single : A 11 MET CE :methyl 164:sc= -0.0435 (180deg=-0.364) USER MOD Single : A 12 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.0113) USER MOD Single : A 17 GLN : amide:sc= 1.12! K(o=1.1!,f=-1.8) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 HIS : no HD1:sc= 0.47 K(o=0.47,f=-3.6!) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ -133:sc= -0.0164 (180deg=-0.181) USER MOD Single : A 44 SER OG : rot 170:sc= 0.373 USER MOD Single : A 45 HIS : no HD1:sc= -0.218 X(o=-0.22,f=0.0083) USER MOD Single : A 47 LYS NZ :NH3+ -171:sc= 0.817 (180deg=0.548) USER MOD Single : A 51 TYR OH : rot -102:sc= 0.989 USER MOD Single : A 56 TYR OH : rot -76:sc= 0.1 USER MOD Single : A 60 GLN : amide:sc= 0.254 K(o=0.25,f=-3.8!) USER MOD Single : A 67 GLN : amide:sc= -0.903 K(o=-0.9,f=-10!) USER MOD Single : A 68 TYR OH : rot 180:sc= -0.017 USER MOD Single : A 71 ASN : amide:sc= -0.0579 X(o=-0.058,f=0) USER MOD Single : A 72 MET CE :methyl -121:sc= -1.66 (180deg=-2.04) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot 180:sc= -0.27 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 GLN :FLIP amide:sc= 0 F(o=-2!,f=0) USER MOD Single : A 89 HIS : no HD1:sc= -0.235 X(o=-0.23,f=-0.023) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot 180:sc= -0.0921 USER MOD Single : A 93 THR OG1 : rot -64:sc= 1.2 USER MOD Single : A 94 LYS NZ :NH3+ 168:sc= 0.719 (180deg=0.263) USER MOD Single : A 98 THR OG1 : rot -135:sc= 0.53 USER MOD Single : A 99 LYS NZ :NH3+ 171:sc= -0.0268 (180deg=-0.147) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 107 ASN : amide:sc= -0.313 X(o=-0.31,f=-0.68) USER MOD Single : A 111 LYS NZ :NH3+ -123:sc= 2.71 (180deg=1.07) USER MOD Single : A 113 LYS NZ :NH3+ 144:sc= 0.968 (180deg=-0.811!) USER MOD Single : A 114 LYS NZ :NH3+ -167:sc= 1.17 (180deg=1.11) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 7.686 -18.628 -30.406 1.00 22.33 N ATOM 2 CA MET A 1 7.002 -17.689 -29.475 1.00 41.31 C ATOM 3 C MET A 1 7.430 -17.944 -28.022 1.00 74.25 C ATOM 4 O MET A 1 7.966 -17.055 -27.360 1.00 12.22 O ATOM 5 CB MET A 1 5.481 -17.816 -29.609 1.00 23.23 C ATOM 6 CG MET A 1 4.955 -17.446 -30.988 1.00 41.43 C ATOM 7 SD MET A 1 5.421 -15.773 -31.472 1.00 72.21 S ATOM 8 CE MET A 1 4.637 -15.655 -33.079 1.00 70.15 C ATOM 0 H1 MET A 1 7.459 -18.370 -31.388 1.00 22.33 H new ATOM 0 H2 MET A 1 8.714 -18.572 -30.262 1.00 22.33 H new ATOM 0 H3 MET A 1 7.363 -19.599 -30.220 1.00 22.33 H new ATOM 0 HA MET A 1 7.296 -16.674 -29.744 1.00 41.31 H new ATOM 0 HB2 MET A 1 5.190 -18.841 -29.382 1.00 23.23 H new ATOM 0 HB3 MET A 1 5.005 -17.177 -28.865 1.00 23.23 H new ATOM 0 HG2 MET A 1 5.338 -18.154 -31.723 1.00 41.43 H new ATOM 0 HG3 MET A 1 3.869 -17.535 -30.996 1.00 41.43 H new ATOM 0 HE1 MET A 1 4.835 -14.673 -33.509 1.00 70.15 H new ATOM 0 HE2 MET A 1 5.037 -16.427 -33.737 1.00 70.15 H new ATOM 0 HE3 MET A 1 3.561 -15.793 -32.970 1.00 70.15 H new ATOM 20 N GLY A 2 7.162 -19.151 -27.523 1.00 50.13 N ATOM 21 CA GLY A 2 7.652 -19.564 -26.210 1.00 44.31 C ATOM 22 C GLY A 2 7.203 -18.670 -25.056 1.00 52.35 C ATOM 23 O GLY A 2 6.187 -17.978 -25.144 1.00 71.21 O ATOM 0 H GLY A 2 6.609 -19.858 -28.008 1.00 50.13 H new ATOM 0 HA2 GLY A 2 7.317 -20.583 -26.015 1.00 44.31 H new ATOM 0 HA3 GLY A 2 8.742 -19.586 -26.233 1.00 44.31 H new ATOM 27 N HIS A 3 7.990 -18.662 -23.983 1.00 44.11 N ATOM 28 CA HIS A 3 7.655 -17.922 -22.758 1.00 14.01 C ATOM 29 C HIS A 3 8.029 -16.429 -22.868 1.00 72.21 C ATOM 30 O HIS A 3 8.502 -15.823 -21.907 1.00 61.34 O ATOM 31 CB HIS A 3 8.379 -18.560 -21.560 1.00 5.22 C ATOM 32 CG HIS A 3 8.063 -20.012 -21.370 1.00 33.34 C ATOM 33 ND1 HIS A 3 7.217 -20.481 -20.385 1.00 34.34 N ATOM 34 CD2 HIS A 3 8.497 -21.108 -22.037 1.00 64.24 C ATOM 35 CE1 HIS A 3 7.144 -21.795 -20.458 1.00 52.33 C ATOM 36 NE2 HIS A 3 7.909 -22.198 -21.449 1.00 42.35 N ATOM 0 H HIS A 3 8.876 -19.165 -23.933 1.00 44.11 H new ATOM 0 HA HIS A 3 6.576 -17.979 -22.614 1.00 14.01 H new ATOM 0 HB2 HIS A 3 9.455 -18.446 -21.694 1.00 5.22 H new ATOM 0 HB3 HIS A 3 8.111 -18.017 -20.654 1.00 5.22 H new ATOM 0 HD2 HIS A 3 9.178 -21.121 -22.875 1.00 64.24 H new ATOM 0 HE1 HIS A 3 6.556 -22.432 -19.814 1.00 52.33 H new ATOM 0 HE2 HIS A 3 8.044 -23.168 -21.735 1.00 42.35 H new ATOM 45 N HIS A 4 7.776 -15.842 -24.037 1.00 73.24 N ATOM 46 CA HIS A 4 8.096 -14.433 -24.297 1.00 25.12 C ATOM 47 C HIS A 4 7.459 -13.496 -23.251 1.00 2.13 C ATOM 48 O HIS A 4 6.293 -13.652 -22.888 1.00 11.45 O ATOM 49 CB HIS A 4 7.639 -14.048 -25.710 1.00 53.42 C ATOM 50 CG HIS A 4 6.171 -14.252 -25.955 1.00 73.03 C ATOM 51 ND1 HIS A 4 5.619 -15.484 -26.244 1.00 23.32 N ATOM 52 CD2 HIS A 4 5.138 -13.375 -25.956 1.00 71.14 C ATOM 53 CE1 HIS A 4 4.319 -15.353 -26.413 1.00 34.44 C ATOM 54 NE2 HIS A 4 4.004 -14.088 -26.243 1.00 32.11 N ATOM 0 H HIS A 4 7.347 -16.323 -24.827 1.00 73.24 H new ATOM 0 HA HIS A 4 9.177 -14.315 -24.221 1.00 25.12 H new ATOM 0 HB2 HIS A 4 7.884 -13.001 -25.887 1.00 53.42 H new ATOM 0 HB3 HIS A 4 8.203 -14.635 -26.435 1.00 53.42 H new ATOM 0 HD1 HIS A 4 6.137 -16.360 -26.316 1.00 23.32 H new ATOM 0 HD2 HIS A 4 5.198 -12.313 -25.766 1.00 71.14 H new ATOM 0 HE1 HIS A 4 3.629 -16.149 -26.651 1.00 34.44 H new ATOM 63 N HIS A 5 8.235 -12.526 -22.772 1.00 22.32 N ATOM 64 CA HIS A 5 7.785 -11.618 -21.709 1.00 31.03 C ATOM 65 C HIS A 5 7.399 -10.231 -22.260 1.00 53.40 C ATOM 66 O HIS A 5 7.732 -9.888 -23.396 1.00 74.43 O ATOM 67 CB HIS A 5 8.892 -11.464 -20.659 1.00 45.23 C ATOM 68 CG HIS A 5 9.431 -12.771 -20.158 1.00 21.10 C ATOM 69 ND1 HIS A 5 10.560 -13.367 -20.676 1.00 70.23 N ATOM 70 CD2 HIS A 5 8.991 -13.597 -19.180 1.00 62.11 C ATOM 71 CE1 HIS A 5 10.791 -14.498 -20.043 1.00 61.15 C ATOM 72 NE2 HIS A 5 9.856 -14.662 -19.132 1.00 64.45 N ATOM 0 H HIS A 5 9.183 -12.345 -23.102 1.00 22.32 H new ATOM 0 HA HIS A 5 6.895 -12.055 -21.255 1.00 31.03 H new ATOM 0 HB2 HIS A 5 9.709 -10.884 -21.087 1.00 45.23 H new ATOM 0 HB3 HIS A 5 8.504 -10.893 -19.815 1.00 45.23 H new ATOM 0 HD2 HIS A 5 8.123 -13.447 -18.555 1.00 62.11 H new ATOM 0 HE1 HIS A 5 11.609 -15.176 -20.238 1.00 61.15 H new ATOM 0 HE2 HIS A 5 9.785 -15.454 -18.493 1.00 64.45 H new ATOM 81 N HIS A 6 6.692 -9.445 -21.447 1.00 62.54 N ATOM 82 CA HIS A 6 6.342 -8.064 -21.803 1.00 0.14 C ATOM 83 C HIS A 6 7.455 -7.079 -21.405 1.00 13.34 C ATOM 84 O HIS A 6 7.676 -6.071 -22.079 1.00 54.34 O ATOM 85 CB HIS A 6 5.024 -7.652 -21.129 1.00 60.31 C ATOM 86 CG HIS A 6 3.827 -8.409 -21.623 1.00 30.34 C ATOM 87 ND1 HIS A 6 2.986 -9.123 -20.793 1.00 21.41 N ATOM 88 CD2 HIS A 6 3.316 -8.541 -22.869 1.00 1.01 C ATOM 89 CE1 HIS A 6 2.016 -9.659 -21.504 1.00 20.34 C ATOM 90 NE2 HIS A 6 2.190 -9.322 -22.767 1.00 31.11 N ATOM 0 H HIS A 6 6.348 -9.740 -20.533 1.00 62.54 H new ATOM 0 HA HIS A 6 6.222 -8.027 -22.886 1.00 0.14 H new ATOM 0 HB2 HIS A 6 5.116 -7.799 -20.053 1.00 60.31 H new ATOM 0 HB3 HIS A 6 4.861 -6.587 -21.292 1.00 60.31 H new ATOM 0 HD2 HIS A 6 3.718 -8.112 -23.775 1.00 1.01 H new ATOM 0 HE1 HIS A 6 1.214 -10.271 -21.118 1.00 20.34 H new ATOM 0 HE2 HIS A 6 1.587 -9.596 -23.542 1.00 31.11 H new ATOM 99 N HIS A 7 8.140 -7.365 -20.292 1.00 33.34 N ATOM 100 CA HIS A 7 9.246 -6.517 -19.824 1.00 4.15 C ATOM 101 C HIS A 7 10.074 -7.207 -18.724 1.00 41.24 C ATOM 102 O HIS A 7 9.527 -7.789 -17.792 1.00 63.51 O ATOM 103 CB HIS A 7 8.715 -5.159 -19.324 1.00 25.03 C ATOM 104 CG HIS A 7 7.734 -5.232 -18.181 1.00 43.01 C ATOM 105 ND1 HIS A 7 7.446 -4.150 -17.381 1.00 25.51 N ATOM 106 CD2 HIS A 7 6.970 -6.253 -17.708 1.00 3.03 C ATOM 107 CE1 HIS A 7 6.559 -4.494 -16.472 1.00 23.02 C ATOM 108 NE2 HIS A 7 6.250 -5.762 -16.646 1.00 21.34 N ATOM 0 H HIS A 7 7.950 -8.173 -19.700 1.00 33.34 H new ATOM 0 HA HIS A 7 9.906 -6.347 -20.675 1.00 4.15 H new ATOM 0 HB2 HIS A 7 9.563 -4.547 -19.015 1.00 25.03 H new ATOM 0 HB3 HIS A 7 8.238 -4.645 -20.158 1.00 25.03 H new ATOM 0 HD1 HIS A 7 7.858 -3.222 -17.478 1.00 25.51 H new ATOM 0 HD2 HIS A 7 6.936 -7.261 -18.095 1.00 3.03 H new ATOM 0 HE1 HIS A 7 6.152 -3.845 -15.711 1.00 23.02 H new ATOM 117 N HIS A 8 11.398 -7.135 -18.849 1.00 20.53 N ATOM 118 CA HIS A 8 12.310 -7.706 -17.847 1.00 32.31 C ATOM 119 C HIS A 8 13.213 -6.612 -17.249 1.00 72.32 C ATOM 120 O HIS A 8 13.985 -5.983 -17.967 1.00 2.41 O ATOM 121 CB HIS A 8 13.165 -8.811 -18.486 1.00 25.44 C ATOM 122 CG HIS A 8 14.044 -9.538 -17.514 1.00 63.20 C ATOM 123 ND1 HIS A 8 15.354 -9.188 -17.271 1.00 45.11 N ATOM 124 CD2 HIS A 8 13.793 -10.607 -16.718 1.00 42.35 C ATOM 125 CE1 HIS A 8 15.868 -10.004 -16.375 1.00 24.44 C ATOM 126 NE2 HIS A 8 14.943 -10.873 -16.024 1.00 31.45 N ATOM 0 H HIS A 8 11.869 -6.686 -19.635 1.00 20.53 H new ATOM 0 HA HIS A 8 11.716 -8.138 -17.041 1.00 32.31 H new ATOM 0 HB2 HIS A 8 12.507 -9.530 -18.973 1.00 25.44 H new ATOM 0 HB3 HIS A 8 13.788 -8.370 -19.265 1.00 25.44 H new ATOM 0 HD2 HIS A 8 12.861 -11.147 -16.645 1.00 42.35 H new ATOM 0 HE1 HIS A 8 16.877 -9.967 -15.993 1.00 24.44 H new ATOM 0 HE2 HIS A 8 15.064 -11.624 -15.344 1.00 31.45 H new ATOM 135 N SER A 9 13.096 -6.379 -15.939 1.00 2.23 N ATOM 136 CA SER A 9 13.867 -5.324 -15.243 1.00 34.10 C ATOM 137 C SER A 9 13.514 -3.920 -15.776 1.00 1.54 C ATOM 138 O SER A 9 14.292 -2.972 -15.650 1.00 4.43 O ATOM 139 CB SER A 9 15.380 -5.575 -15.366 1.00 21.52 C ATOM 140 OG SER A 9 16.124 -4.630 -14.607 1.00 22.23 O ATOM 0 H SER A 9 12.472 -6.906 -15.328 1.00 2.23 H new ATOM 0 HA SER A 9 13.592 -5.364 -14.189 1.00 34.10 H new ATOM 0 HB2 SER A 9 15.612 -6.583 -15.024 1.00 21.52 H new ATOM 0 HB3 SER A 9 15.676 -5.518 -16.413 1.00 21.52 H new ATOM 0 HG SER A 9 15.714 -3.744 -14.695 1.00 22.23 H new ATOM 146 N HIS A 10 12.323 -3.797 -16.365 1.00 41.11 N ATOM 147 CA HIS A 10 11.816 -2.516 -16.873 1.00 23.42 C ATOM 148 C HIS A 10 10.481 -2.172 -16.200 1.00 55.31 C ATOM 149 O HIS A 10 9.463 -2.816 -16.452 1.00 55.10 O ATOM 150 CB HIS A 10 11.645 -2.569 -18.401 1.00 1.11 C ATOM 151 CG HIS A 10 12.939 -2.498 -19.164 1.00 60.42 C ATOM 152 ND1 HIS A 10 13.876 -3.510 -19.170 1.00 61.21 N ATOM 153 CD2 HIS A 10 13.448 -1.523 -19.957 1.00 71.40 C ATOM 154 CE1 HIS A 10 14.896 -3.165 -19.927 1.00 33.03 C ATOM 155 NE2 HIS A 10 14.663 -1.968 -20.415 1.00 32.34 N ATOM 0 H HIS A 10 11.683 -4.579 -16.504 1.00 41.11 H new ATOM 0 HA HIS A 10 12.541 -1.738 -16.635 1.00 23.42 H new ATOM 0 HB2 HIS A 10 11.129 -3.491 -18.667 1.00 1.11 H new ATOM 0 HB3 HIS A 10 11.005 -1.744 -18.714 1.00 1.11 H new ATOM 0 HD1 HIS A 10 13.791 -4.392 -18.665 1.00 61.21 H new ATOM 0 HD2 HIS A 10 12.985 -0.575 -20.185 1.00 71.40 H new ATOM 0 HE1 HIS A 10 15.775 -3.764 -20.115 1.00 33.03 H new ATOM 164 N MET A 11 10.490 -1.157 -15.345 1.00 34.24 N ATOM 165 CA MET A 11 9.317 -0.808 -14.538 1.00 52.22 C ATOM 166 C MET A 11 8.324 0.089 -15.306 1.00 72.30 C ATOM 167 O MET A 11 8.721 0.906 -16.137 1.00 32.44 O ATOM 168 CB MET A 11 9.771 -0.107 -13.247 1.00 23.25 C ATOM 169 CG MET A 11 8.630 0.252 -12.302 1.00 22.41 C ATOM 170 SD MET A 11 7.686 -1.195 -11.779 1.00 13.43 S ATOM 171 CE MET A 11 8.923 -2.083 -10.832 1.00 45.22 C ATOM 0 H MET A 11 11.299 -0.555 -15.189 1.00 34.24 H new ATOM 0 HA MET A 11 8.794 -1.733 -14.296 1.00 52.22 H new ATOM 0 HB2 MET A 11 10.474 -0.754 -12.722 1.00 23.25 H new ATOM 0 HB3 MET A 11 10.311 0.803 -13.510 1.00 23.25 H new ATOM 0 HG2 MET A 11 9.034 0.755 -11.424 1.00 22.41 H new ATOM 0 HG3 MET A 11 7.963 0.959 -12.795 1.00 22.41 H new ATOM 0 HE1 MET A 11 8.436 -2.838 -10.215 1.00 45.22 H new ATOM 0 HE2 MET A 11 9.624 -2.567 -11.512 1.00 45.22 H new ATOM 0 HE3 MET A 11 9.462 -1.384 -10.192 1.00 45.22 H new ATOM 181 N LYS A 12 7.030 -0.102 -15.038 1.00 61.44 N ATOM 182 CA LYS A 12 5.977 0.800 -15.534 1.00 12.25 C ATOM 183 C LYS A 12 5.720 1.924 -14.511 1.00 75.11 C ATOM 184 O LYS A 12 5.977 1.746 -13.321 1.00 12.31 O ATOM 185 CB LYS A 12 4.669 0.017 -15.790 1.00 43.42 C ATOM 186 CG LYS A 12 4.659 -0.821 -17.069 1.00 34.10 C ATOM 187 CD LYS A 12 4.686 0.055 -18.323 1.00 5.14 C ATOM 188 CE LYS A 12 4.345 -0.733 -19.589 1.00 62.24 C ATOM 189 NZ LYS A 12 5.294 -1.851 -19.837 1.00 30.30 N ATOM 0 H LYS A 12 6.680 -0.878 -14.476 1.00 61.44 H new ATOM 0 HA LYS A 12 6.312 1.239 -16.474 1.00 12.25 H new ATOM 0 HB2 LYS A 12 4.485 -0.641 -14.941 1.00 43.42 H new ATOM 0 HB3 LYS A 12 3.841 0.725 -15.831 1.00 43.42 H new ATOM 0 HG2 LYS A 12 5.521 -1.488 -17.073 1.00 34.10 H new ATOM 0 HG3 LYS A 12 3.769 -1.450 -17.084 1.00 34.10 H new ATOM 0 HD2 LYS A 12 3.977 0.875 -18.206 1.00 5.14 H new ATOM 0 HD3 LYS A 12 5.675 0.501 -18.431 1.00 5.14 H new ATOM 0 HE2 LYS A 12 3.334 -1.131 -19.504 1.00 62.24 H new ATOM 0 HE3 LYS A 12 4.351 -0.059 -20.445 1.00 62.24 H new ATOM 0 HZ1 LYS A 12 5.030 -2.343 -20.715 1.00 30.30 H new ATOM 0 HZ2 LYS A 12 6.259 -1.474 -19.929 1.00 30.30 H new ATOM 0 HZ3 LYS A 12 5.258 -2.520 -19.041 1.00 30.30 H new ATOM 203 N PRO A 13 5.213 3.097 -14.946 1.00 43.52 N ATOM 204 CA PRO A 13 4.904 4.206 -14.020 1.00 34.45 C ATOM 205 C PRO A 13 3.792 3.843 -13.015 1.00 3.15 C ATOM 206 O PRO A 13 3.013 2.914 -13.242 1.00 64.54 O ATOM 207 CB PRO A 13 4.453 5.339 -14.956 1.00 75.40 C ATOM 208 CG PRO A 13 4.012 4.649 -16.202 1.00 3.23 C ATOM 209 CD PRO A 13 4.910 3.449 -16.347 1.00 3.21 C ATOM 0 HA PRO A 13 5.760 4.471 -13.399 1.00 34.45 H new ATOM 0 HB2 PRO A 13 3.641 5.917 -14.515 1.00 75.40 H new ATOM 0 HB3 PRO A 13 5.268 6.035 -15.156 1.00 75.40 H new ATOM 0 HG2 PRO A 13 2.966 4.349 -16.133 1.00 3.23 H new ATOM 0 HG3 PRO A 13 4.098 5.308 -17.066 1.00 3.23 H new ATOM 0 HD2 PRO A 13 4.413 2.633 -16.871 1.00 3.21 H new ATOM 0 HD3 PRO A 13 5.813 3.685 -16.909 1.00 3.21 H new ATOM 217 N LEU A 14 3.721 4.589 -11.909 1.00 54.44 N ATOM 218 CA LEU A 14 2.747 4.324 -10.837 1.00 5.24 C ATOM 219 C LEU A 14 1.319 4.138 -11.381 1.00 11.33 C ATOM 220 O LEU A 14 0.604 3.220 -10.977 1.00 24.33 O ATOM 221 CB LEU A 14 2.772 5.466 -9.810 1.00 24.41 C ATOM 222 CG LEU A 14 1.859 5.280 -8.583 1.00 33.33 C ATOM 223 CD1 LEU A 14 2.247 4.027 -7.800 1.00 13.42 C ATOM 224 CD2 LEU A 14 1.906 6.517 -7.685 1.00 43.24 C ATOM 0 H LEU A 14 4.329 5.388 -11.729 1.00 54.44 H new ATOM 0 HA LEU A 14 3.038 3.390 -10.356 1.00 5.24 H new ATOM 0 HB2 LEU A 14 3.797 5.594 -9.461 1.00 24.41 H new ATOM 0 HB3 LEU A 14 2.489 6.390 -10.314 1.00 24.41 H new ATOM 0 HG LEU A 14 0.836 5.152 -8.937 1.00 33.33 H new ATOM 0 HD11 LEU A 14 1.588 3.918 -6.939 1.00 13.42 H new ATOM 0 HD12 LEU A 14 2.152 3.152 -8.443 1.00 13.42 H new ATOM 0 HD13 LEU A 14 3.278 4.116 -7.459 1.00 13.42 H new ATOM 0 HD21 LEU A 14 1.255 6.366 -6.824 1.00 43.24 H new ATOM 0 HD22 LEU A 14 2.928 6.680 -7.343 1.00 43.24 H new ATOM 0 HD23 LEU A 14 1.569 7.388 -8.247 1.00 43.24 H new ATOM 236 N ALA A 15 0.916 5.005 -12.306 1.00 30.44 N ATOM 237 CA ALA A 15 -0.419 4.932 -12.913 1.00 15.11 C ATOM 238 C ALA A 15 -0.658 3.589 -13.628 1.00 34.41 C ATOM 239 O ALA A 15 -1.766 3.050 -13.605 1.00 72.51 O ATOM 240 CB ALA A 15 -0.614 6.087 -13.889 1.00 21.24 C ATOM 0 H ALA A 15 1.493 5.770 -12.655 1.00 30.44 H new ATOM 0 HA ALA A 15 -1.149 5.008 -12.107 1.00 15.11 H new ATOM 0 HB1 ALA A 15 -1.607 6.024 -14.334 1.00 21.24 H new ATOM 0 HB2 ALA A 15 -0.514 7.033 -13.357 1.00 21.24 H new ATOM 0 HB3 ALA A 15 0.140 6.031 -14.675 1.00 21.24 H new ATOM 246 N GLU A 16 0.390 3.045 -14.242 1.00 52.43 N ATOM 247 CA GLU A 16 0.283 1.794 -15.010 1.00 40.43 C ATOM 248 C GLU A 16 0.513 0.547 -14.139 1.00 70.31 C ATOM 249 O GLU A 16 0.490 -0.578 -14.637 1.00 0.35 O ATOM 250 CB GLU A 16 1.275 1.810 -16.183 1.00 11.41 C ATOM 251 CG GLU A 16 0.980 2.881 -17.231 1.00 14.31 C ATOM 252 CD GLU A 16 -0.308 2.627 -18.005 1.00 0.33 C ATOM 253 OE1 GLU A 16 -1.393 2.996 -17.508 1.00 12.42 O ATOM 254 OE2 GLU A 16 -0.240 2.075 -19.125 1.00 41.33 O ATOM 0 H GLU A 16 1.327 3.447 -14.226 1.00 52.43 H new ATOM 0 HA GLU A 16 -0.737 1.736 -15.391 1.00 40.43 H new ATOM 0 HB2 GLU A 16 2.281 1.965 -15.793 1.00 11.41 H new ATOM 0 HB3 GLU A 16 1.268 0.832 -16.665 1.00 11.41 H new ATOM 0 HG2 GLU A 16 0.915 3.852 -16.740 1.00 14.31 H new ATOM 0 HG3 GLU A 16 1.813 2.933 -17.932 1.00 14.31 H new ATOM 261 N GLN A 17 0.731 0.745 -12.840 1.00 11.12 N ATOM 262 CA GLN A 17 0.887 -0.380 -11.909 1.00 73.21 C ATOM 263 C GLN A 17 -0.460 -1.069 -11.639 1.00 44.11 C ATOM 264 O GLN A 17 -1.443 -0.416 -11.275 1.00 34.32 O ATOM 265 CB GLN A 17 1.510 0.098 -10.590 1.00 42.23 C ATOM 266 CG GLN A 17 2.960 0.549 -10.719 1.00 33.01 C ATOM 267 CD GLN A 17 3.898 -0.579 -11.120 1.00 35.12 C ATOM 268 OE1 GLN A 17 3.667 -1.744 -10.814 1.00 52.11 O ATOM 269 NE2 GLN A 17 4.967 -0.243 -11.808 1.00 22.24 N ATOM 0 H GLN A 17 0.804 1.666 -12.407 1.00 11.12 H new ATOM 0 HA GLN A 17 1.554 -1.107 -12.372 1.00 73.21 H new ATOM 0 HB2 GLN A 17 0.917 0.924 -10.198 1.00 42.23 H new ATOM 0 HB3 GLN A 17 1.455 -0.709 -9.860 1.00 42.23 H new ATOM 0 HG2 GLN A 17 3.022 1.347 -11.459 1.00 33.01 H new ATOM 0 HG3 GLN A 17 3.290 0.969 -9.769 1.00 33.01 H new ATOM 0 HE21 GLN A 17 5.133 0.734 -12.048 1.00 22.24 H new ATOM 0 HE22 GLN A 17 5.631 -0.960 -12.102 1.00 22.24 H new ATOM 278 N ASP A 18 -0.497 -2.387 -11.814 1.00 43.32 N ATOM 279 CA ASP A 18 -1.734 -3.164 -11.661 1.00 43.34 C ATOM 280 C ASP A 18 -2.293 -3.119 -10.224 1.00 63.52 C ATOM 281 O ASP A 18 -3.504 -3.193 -10.021 1.00 1.22 O ATOM 282 CB ASP A 18 -1.507 -4.615 -12.120 1.00 74.41 C ATOM 283 CG ASP A 18 -0.265 -5.250 -11.512 1.00 12.22 C ATOM 284 OD1 ASP A 18 0.859 -4.819 -11.862 1.00 34.35 O ATOM 285 OD2 ASP A 18 -0.400 -6.192 -10.706 1.00 43.33 O ATOM 0 H ASP A 18 0.318 -2.947 -12.064 1.00 43.32 H new ATOM 0 HA ASP A 18 -2.488 -2.701 -12.297 1.00 43.34 H new ATOM 0 HB2 ASP A 18 -2.379 -5.213 -11.856 1.00 74.41 H new ATOM 0 HB3 ASP A 18 -1.423 -4.636 -13.207 1.00 74.41 H new ATOM 290 N TRP A 19 -1.415 -2.980 -9.236 1.00 54.21 N ATOM 291 CA TRP A 19 -1.844 -2.875 -7.831 1.00 12.34 C ATOM 292 C TRP A 19 -2.266 -1.435 -7.455 1.00 20.24 C ATOM 293 O TRP A 19 -2.817 -1.197 -6.378 1.00 41.12 O ATOM 294 CB TRP A 19 -0.739 -3.397 -6.890 1.00 32.40 C ATOM 295 CG TRP A 19 0.656 -2.970 -7.269 1.00 72.01 C ATOM 296 CD1 TRP A 19 1.580 -3.714 -7.948 1.00 4.32 C ATOM 297 CD2 TRP A 19 1.284 -1.711 -6.990 1.00 61.22 C ATOM 298 NE1 TRP A 19 2.741 -2.998 -8.104 1.00 11.10 N ATOM 299 CE2 TRP A 19 2.585 -1.766 -7.527 1.00 13.54 C ATOM 300 CE3 TRP A 19 0.874 -0.547 -6.339 1.00 21.51 C ATOM 301 CZ2 TRP A 19 3.475 -0.697 -7.434 1.00 73.53 C ATOM 302 CZ3 TRP A 19 1.756 0.512 -6.249 1.00 22.11 C ATOM 303 CH2 TRP A 19 3.043 0.431 -6.791 1.00 20.54 C ATOM 0 H TRP A 19 -0.405 -2.937 -9.373 1.00 54.21 H new ATOM 0 HA TRP A 19 -2.728 -3.502 -7.710 1.00 12.34 H new ATOM 0 HB2 TRP A 19 -0.949 -3.052 -5.877 1.00 32.40 H new ATOM 0 HB3 TRP A 19 -0.780 -4.486 -6.871 1.00 32.40 H new ATOM 0 HD1 TRP A 19 1.420 -4.719 -8.309 1.00 4.32 H new ATOM 0 HE1 TRP A 19 3.583 -3.330 -8.574 1.00 11.10 H new ATOM 0 HE3 TRP A 19 -0.116 -0.475 -5.913 1.00 21.51 H new ATOM 0 HZ2 TRP A 19 4.468 -0.757 -7.854 1.00 73.53 H new ATOM 0 HZ3 TRP A 19 1.446 1.419 -5.751 1.00 22.11 H new ATOM 0 HH2 TRP A 19 3.709 1.276 -6.700 1.00 20.54 H new ATOM 314 N TYR A 20 -2.014 -0.481 -8.351 1.00 71.24 N ATOM 315 CA TYR A 20 -2.455 0.913 -8.164 1.00 72.43 C ATOM 316 C TYR A 20 -3.802 1.148 -8.872 1.00 5.21 C ATOM 317 O TYR A 20 -3.888 1.055 -10.094 1.00 23.14 O ATOM 318 CB TYR A 20 -1.393 1.882 -8.710 1.00 31.24 C ATOM 319 CG TYR A 20 -1.812 3.346 -8.685 1.00 52.35 C ATOM 320 CD1 TYR A 20 -1.766 4.087 -7.508 1.00 22.14 C ATOM 321 CD2 TYR A 20 -2.250 3.984 -9.841 1.00 61.24 C ATOM 322 CE1 TYR A 20 -2.144 5.418 -7.487 1.00 44.42 C ATOM 323 CE2 TYR A 20 -2.627 5.313 -9.827 1.00 64.23 C ATOM 324 CZ TYR A 20 -2.572 6.027 -8.648 1.00 71.43 C ATOM 325 OH TYR A 20 -2.951 7.354 -8.630 1.00 22.11 O ATOM 0 H TYR A 20 -1.505 -0.643 -9.220 1.00 71.24 H new ATOM 0 HA TYR A 20 -2.585 1.098 -7.098 1.00 72.43 H new ATOM 0 HB2 TYR A 20 -0.479 1.767 -8.127 1.00 31.24 H new ATOM 0 HB3 TYR A 20 -1.154 1.601 -9.736 1.00 31.24 H new ATOM 0 HD1 TYR A 20 -1.430 3.616 -6.596 1.00 22.14 H new ATOM 0 HD2 TYR A 20 -2.296 3.430 -10.767 1.00 61.24 H new ATOM 0 HE1 TYR A 20 -2.104 5.978 -6.564 1.00 44.42 H new ATOM 0 HE2 TYR A 20 -2.963 5.791 -10.735 1.00 64.23 H new ATOM 0 HH TYR A 20 -3.225 7.628 -9.530 1.00 22.11 H new ATOM 335 N HIS A 21 -4.850 1.460 -8.107 1.00 72.02 N ATOM 336 CA HIS A 21 -6.207 1.597 -8.677 1.00 4.44 C ATOM 337 C HIS A 21 -6.641 3.065 -8.856 1.00 12.45 C ATOM 338 O HIS A 21 -7.743 3.332 -9.341 1.00 13.12 O ATOM 339 CB HIS A 21 -7.224 0.843 -7.807 1.00 20.11 C ATOM 340 CG HIS A 21 -7.075 -0.654 -7.870 1.00 63.50 C ATOM 341 ND1 HIS A 21 -8.039 -1.491 -8.393 1.00 2.11 N ATOM 342 CD2 HIS A 21 -6.062 -1.463 -7.476 1.00 4.35 C ATOM 343 CE1 HIS A 21 -7.628 -2.740 -8.316 1.00 61.40 C ATOM 344 NE2 HIS A 21 -6.433 -2.753 -7.766 1.00 70.22 N ATOM 0 H HIS A 21 -4.795 1.623 -7.102 1.00 72.02 H new ATOM 0 HA HIS A 21 -6.176 1.157 -9.674 1.00 4.44 H new ATOM 0 HB2 HIS A 21 -7.116 1.168 -6.772 1.00 20.11 H new ATOM 0 HB3 HIS A 21 -8.232 1.114 -8.123 1.00 20.11 H new ATOM 0 HD2 HIS A 21 -5.135 -1.151 -7.019 1.00 4.35 H new ATOM 0 HE1 HIS A 21 -8.179 -3.607 -8.648 1.00 61.40 H new ATOM 0 HE2 HIS A 21 -5.873 -3.586 -7.584 1.00 70.22 H new ATOM 353 N GLY A 22 -5.780 4.007 -8.480 1.00 13.42 N ATOM 354 CA GLY A 22 -6.087 5.425 -8.672 1.00 60.34 C ATOM 355 C GLY A 22 -6.751 6.081 -7.463 1.00 34.11 C ATOM 356 O GLY A 22 -6.672 5.571 -6.344 1.00 34.34 O ATOM 0 H GLY A 22 -4.876 3.820 -8.046 1.00 13.42 H new ATOM 0 HA2 GLY A 22 -5.165 5.959 -8.903 1.00 60.34 H new ATOM 0 HA3 GLY A 22 -6.742 5.532 -9.537 1.00 60.34 H new ATOM 360 N ALA A 23 -7.403 7.219 -7.688 1.00 33.12 N ATOM 361 CA ALA A 23 -8.084 7.953 -6.614 1.00 5.15 C ATOM 362 C ALA A 23 -9.498 7.402 -6.372 1.00 23.23 C ATOM 363 O ALA A 23 -10.458 7.808 -7.029 1.00 60.20 O ATOM 364 CB ALA A 23 -8.139 9.448 -6.934 1.00 33.12 C ATOM 0 H ALA A 23 -7.477 7.657 -8.606 1.00 33.12 H new ATOM 0 HA ALA A 23 -7.509 7.814 -5.699 1.00 5.15 H new ATOM 0 HB1 ALA A 23 -8.647 9.975 -6.126 1.00 33.12 H new ATOM 0 HB2 ALA A 23 -7.125 9.835 -7.038 1.00 33.12 H new ATOM 0 HB3 ALA A 23 -8.683 9.601 -7.866 1.00 33.12 H new ATOM 370 N ILE A 24 -9.620 6.463 -5.433 1.00 74.31 N ATOM 371 CA ILE A 24 -10.915 5.842 -5.110 1.00 22.30 C ATOM 372 C ILE A 24 -11.297 6.070 -3.634 1.00 30.41 C ATOM 373 O ILE A 24 -10.431 6.317 -2.791 1.00 40.25 O ATOM 374 CB ILE A 24 -10.899 4.313 -5.390 1.00 22.15 C ATOM 375 CG1 ILE A 24 -9.954 3.584 -4.420 1.00 54.52 C ATOM 376 CG2 ILE A 24 -10.494 4.031 -6.834 1.00 65.13 C ATOM 377 CD1 ILE A 24 -9.943 2.083 -4.605 1.00 71.10 C ATOM 0 H ILE A 24 -8.839 6.112 -4.879 1.00 74.31 H new ATOM 0 HA ILE A 24 -11.655 6.319 -5.753 1.00 22.30 H new ATOM 0 HB ILE A 24 -11.909 3.936 -5.233 1.00 22.15 H new ATOM 0 HG12 ILE A 24 -8.942 3.966 -4.554 1.00 54.52 H new ATOM 0 HG13 ILE A 24 -10.248 3.814 -3.396 1.00 54.52 H new ATOM 0 HG21 ILE A 24 -10.490 2.955 -7.007 1.00 65.13 H new ATOM 0 HG22 ILE A 24 -11.205 4.504 -7.511 1.00 65.13 H new ATOM 0 HG23 ILE A 24 -9.497 4.432 -7.017 1.00 65.13 H new ATOM 0 HD11 ILE A 24 -9.255 1.633 -3.889 1.00 71.10 H new ATOM 0 HD12 ILE A 24 -10.946 1.689 -4.442 1.00 71.10 H new ATOM 0 HD13 ILE A 24 -9.619 1.844 -5.618 1.00 71.10 H new ATOM 389 N PRO A 25 -12.602 5.997 -3.305 1.00 71.11 N ATOM 390 CA PRO A 25 -13.073 6.115 -1.914 1.00 10.33 C ATOM 391 C PRO A 25 -12.599 4.949 -1.025 1.00 64.03 C ATOM 392 O PRO A 25 -12.278 3.858 -1.514 1.00 11.02 O ATOM 393 CB PRO A 25 -14.606 6.118 -2.051 1.00 32.12 C ATOM 394 CG PRO A 25 -14.874 5.448 -3.357 1.00 34.24 C ATOM 395 CD PRO A 25 -13.720 5.811 -4.251 1.00 14.10 C ATOM 0 HA PRO A 25 -12.679 7.007 -1.427 1.00 10.33 H new ATOM 0 HB2 PRO A 25 -15.078 5.582 -1.227 1.00 32.12 H new ATOM 0 HB3 PRO A 25 -15.002 7.133 -2.039 1.00 32.12 H new ATOM 0 HG2 PRO A 25 -14.948 4.368 -3.234 1.00 34.24 H new ATOM 0 HG3 PRO A 25 -15.819 5.786 -3.783 1.00 34.24 H new ATOM 0 HD2 PRO A 25 -13.508 5.023 -4.974 1.00 14.10 H new ATOM 0 HD3 PRO A 25 -13.922 6.719 -4.819 1.00 14.10 H new ATOM 403 N ARG A 26 -12.571 5.184 0.285 1.00 12.41 N ATOM 404 CA ARG A 26 -12.076 4.198 1.248 1.00 61.24 C ATOM 405 C ARG A 26 -12.897 2.900 1.201 1.00 64.01 C ATOM 406 O ARG A 26 -12.335 1.801 1.192 1.00 41.24 O ATOM 407 CB ARG A 26 -12.119 4.784 2.668 1.00 24.15 C ATOM 408 CG ARG A 26 -11.460 3.899 3.723 1.00 41.44 C ATOM 409 CD ARG A 26 -11.689 4.421 5.141 1.00 3.33 C ATOM 410 NE ARG A 26 -13.094 4.334 5.541 1.00 75.41 N ATOM 411 CZ ARG A 26 -13.497 4.075 6.756 1.00 12.21 C ATOM 412 NH1 ARG A 26 -12.647 3.945 7.725 1.00 73.51 N ATOM 413 NH2 ARG A 26 -14.756 3.960 7.007 1.00 21.23 N ATOM 0 H ARG A 26 -12.888 6.056 0.708 1.00 12.41 H new ATOM 0 HA ARG A 26 -11.047 3.958 0.979 1.00 61.24 H new ATOM 0 HB2 ARG A 26 -11.626 5.756 2.664 1.00 24.15 H new ATOM 0 HB3 ARG A 26 -13.158 4.955 2.949 1.00 24.15 H new ATOM 0 HG2 ARG A 26 -11.855 2.886 3.643 1.00 41.44 H new ATOM 0 HG3 ARG A 26 -10.389 3.840 3.528 1.00 41.44 H new ATOM 0 HD2 ARG A 26 -11.078 3.850 5.840 1.00 3.33 H new ATOM 0 HD3 ARG A 26 -11.359 5.458 5.203 1.00 3.33 H new ATOM 0 HE ARG A 26 -13.804 4.485 4.825 1.00 75.41 H new ATOM 0 HH11 ARG A 26 -11.648 4.045 7.544 1.00 73.51 H new ATOM 0 HH12 ARG A 26 -12.977 3.743 8.669 1.00 73.51 H new ATOM 0 HH21 ARG A 26 -15.438 4.071 6.257 1.00 21.23 H new ATOM 0 HH22 ARG A 26 -15.070 3.758 7.956 1.00 21.23 H new ATOM 427 N ILE A 27 -14.223 3.038 1.164 1.00 22.13 N ATOM 428 CA ILE A 27 -15.128 1.882 1.165 1.00 50.34 C ATOM 429 C ILE A 27 -14.807 0.911 0.013 1.00 31.05 C ATOM 430 O ILE A 27 -14.490 -0.252 0.244 1.00 24.10 O ATOM 431 CB ILE A 27 -16.610 2.333 1.065 1.00 13.34 C ATOM 432 CG1 ILE A 27 -16.964 3.283 2.227 1.00 12.11 C ATOM 433 CG2 ILE A 27 -17.547 1.122 1.051 1.00 43.53 C ATOM 434 CD1 ILE A 27 -18.383 3.814 2.183 1.00 13.22 C ATOM 0 H ILE A 27 -14.698 3.940 1.133 1.00 22.13 H new ATOM 0 HA ILE A 27 -14.977 1.361 2.111 1.00 50.34 H new ATOM 0 HB ILE A 27 -16.741 2.873 0.127 1.00 13.34 H new ATOM 0 HG12 ILE A 27 -16.813 2.758 3.170 1.00 12.11 H new ATOM 0 HG13 ILE A 27 -16.272 4.125 2.217 1.00 12.11 H new ATOM 0 HG21 ILE A 27 -18.580 1.462 0.980 1.00 43.53 H new ATOM 0 HG22 ILE A 27 -17.313 0.491 0.193 1.00 43.53 H new ATOM 0 HG23 ILE A 27 -17.415 0.550 1.969 1.00 43.53 H new ATOM 0 HD11 ILE A 27 -18.551 4.474 3.034 1.00 13.22 H new ATOM 0 HD12 ILE A 27 -18.535 4.370 1.258 1.00 13.22 H new ATOM 0 HD13 ILE A 27 -19.085 2.981 2.225 1.00 13.22 H new ATOM 446 N GLU A 28 -14.848 1.408 -1.220 1.00 14.44 N ATOM 447 CA GLU A 28 -14.561 0.581 -2.404 1.00 54.42 C ATOM 448 C GLU A 28 -13.166 -0.066 -2.332 1.00 15.34 C ATOM 449 O GLU A 28 -12.965 -1.191 -2.796 1.00 44.43 O ATOM 450 CB GLU A 28 -14.671 1.434 -3.672 1.00 24.51 C ATOM 451 CG GLU A 28 -16.059 2.020 -3.898 1.00 44.11 C ATOM 452 CD GLU A 28 -17.085 0.976 -4.314 1.00 55.24 C ATOM 453 OE1 GLU A 28 -17.077 0.572 -5.498 1.00 21.15 O ATOM 454 OE2 GLU A 28 -17.908 0.564 -3.469 1.00 31.22 O ATOM 0 H GLU A 28 -15.077 2.379 -1.433 1.00 14.44 H new ATOM 0 HA GLU A 28 -15.297 -0.223 -2.431 1.00 54.42 H new ATOM 0 HB2 GLU A 28 -13.948 2.248 -3.616 1.00 24.51 H new ATOM 0 HB3 GLU A 28 -14.399 0.825 -4.534 1.00 24.51 H new ATOM 0 HG2 GLU A 28 -16.395 2.507 -2.983 1.00 44.11 H new ATOM 0 HG3 GLU A 28 -16.001 2.791 -4.666 1.00 44.11 H new ATOM 461 N ALA A 29 -12.211 0.652 -1.742 1.00 4.32 N ATOM 462 CA ALA A 29 -10.841 0.151 -1.593 1.00 13.22 C ATOM 463 C ALA A 29 -10.772 -1.048 -0.640 1.00 15.40 C ATOM 464 O ALA A 29 -10.050 -2.014 -0.883 1.00 44.52 O ATOM 465 CB ALA A 29 -9.935 1.264 -1.091 1.00 25.41 C ATOM 0 H ALA A 29 -12.359 1.585 -1.358 1.00 4.32 H new ATOM 0 HA ALA A 29 -10.503 -0.185 -2.573 1.00 13.22 H new ATOM 0 HB1 ALA A 29 -8.919 0.885 -0.983 1.00 25.41 H new ATOM 0 HB2 ALA A 29 -9.941 2.088 -1.805 1.00 25.41 H new ATOM 0 HB3 ALA A 29 -10.295 1.618 -0.125 1.00 25.41 H new ATOM 471 N GLN A 30 -11.527 -0.977 0.449 1.00 15.05 N ATOM 472 CA GLN A 30 -11.523 -2.038 1.459 1.00 12.40 C ATOM 473 C GLN A 30 -12.491 -3.182 1.107 1.00 3.01 C ATOM 474 O GLN A 30 -12.295 -4.320 1.526 1.00 61.34 O ATOM 475 CB GLN A 30 -11.833 -1.456 2.848 1.00 41.10 C ATOM 476 CG GLN A 30 -13.171 -0.739 2.957 1.00 62.32 C ATOM 477 CD GLN A 30 -13.377 -0.106 4.326 1.00 62.22 C ATOM 478 OE1 GLN A 30 -12.418 0.298 4.984 1.00 42.15 O ATOM 479 NE2 GLN A 30 -14.616 -0.010 4.762 1.00 65.44 N ATOM 0 H GLN A 30 -12.151 -0.198 0.659 1.00 15.05 H new ATOM 0 HA GLN A 30 -10.522 -2.470 1.477 1.00 12.40 H new ATOM 0 HB2 GLN A 30 -11.810 -2.265 3.578 1.00 41.10 H new ATOM 0 HB3 GLN A 30 -11.040 -0.759 3.119 1.00 41.10 H new ATOM 0 HG2 GLN A 30 -13.231 0.033 2.190 1.00 62.32 H new ATOM 0 HG3 GLN A 30 -13.977 -1.446 2.761 1.00 62.32 H new ATOM 0 HE21 GLN A 30 -15.386 -0.356 4.190 1.00 65.44 H new ATOM 0 HE22 GLN A 30 -14.805 0.410 5.672 1.00 65.44 H new ATOM 488 N GLU A 31 -13.540 -2.875 0.350 1.00 1.25 N ATOM 489 CA GLU A 31 -14.538 -3.881 -0.043 1.00 33.32 C ATOM 490 C GLU A 31 -13.990 -4.896 -1.060 1.00 65.34 C ATOM 491 O GLU A 31 -14.474 -6.028 -1.136 1.00 74.05 O ATOM 492 CB GLU A 31 -15.789 -3.193 -0.602 1.00 62.02 C ATOM 493 CG GLU A 31 -16.554 -2.394 0.446 1.00 33.33 C ATOM 494 CD GLU A 31 -17.080 -3.271 1.575 1.00 43.30 C ATOM 495 OE1 GLU A 31 -16.354 -3.475 2.575 1.00 23.32 O ATOM 496 OE2 GLU A 31 -18.219 -3.768 1.461 1.00 75.44 O ATOM 0 H GLU A 31 -13.727 -1.938 -0.007 1.00 1.25 H new ATOM 0 HA GLU A 31 -14.797 -4.441 0.855 1.00 33.32 H new ATOM 0 HB2 GLU A 31 -15.497 -2.528 -1.415 1.00 62.02 H new ATOM 0 HB3 GLU A 31 -16.450 -3.947 -1.029 1.00 62.02 H new ATOM 0 HG2 GLU A 31 -15.902 -1.625 0.860 1.00 33.33 H new ATOM 0 HG3 GLU A 31 -17.389 -1.880 -0.031 1.00 33.33 H new ATOM 503 N LEU A 32 -12.987 -4.497 -1.840 1.00 23.03 N ATOM 504 CA LEU A 32 -12.368 -5.409 -2.811 1.00 12.25 C ATOM 505 C LEU A 32 -11.375 -6.365 -2.118 1.00 11.14 C ATOM 506 O LEU A 32 -10.992 -7.393 -2.678 1.00 14.42 O ATOM 507 CB LEU A 32 -11.687 -4.613 -3.943 1.00 3.11 C ATOM 508 CG LEU A 32 -10.459 -3.760 -3.553 1.00 45.42 C ATOM 509 CD1 LEU A 32 -9.173 -4.586 -3.598 1.00 62.23 C ATOM 510 CD2 LEU A 32 -10.346 -2.535 -4.460 1.00 33.14 C ATOM 0 H LEU A 32 -12.586 -3.559 -1.823 1.00 23.03 H new ATOM 0 HA LEU A 32 -13.153 -6.021 -3.256 1.00 12.25 H new ATOM 0 HB2 LEU A 32 -11.380 -5.317 -4.716 1.00 3.11 H new ATOM 0 HB3 LEU A 32 -12.431 -3.953 -4.390 1.00 3.11 H new ATOM 0 HG LEU A 32 -10.600 -3.419 -2.527 1.00 45.42 H new ATOM 0 HD11 LEU A 32 -8.327 -3.958 -3.319 1.00 62.23 H new ATOM 0 HD12 LEU A 32 -9.252 -5.420 -2.901 1.00 62.23 H new ATOM 0 HD13 LEU A 32 -9.022 -4.970 -4.607 1.00 62.23 H new ATOM 0 HD21 LEU A 32 -9.475 -1.947 -4.170 1.00 33.14 H new ATOM 0 HD22 LEU A 32 -10.237 -2.858 -5.495 1.00 33.14 H new ATOM 0 HD23 LEU A 32 -11.245 -1.926 -4.362 1.00 33.14 H new ATOM 522 N LEU A 33 -10.972 -6.009 -0.899 1.00 33.01 N ATOM 523 CA LEU A 33 -10.075 -6.844 -0.089 1.00 72.23 C ATOM 524 C LEU A 33 -10.856 -8.008 0.545 1.00 2.24 C ATOM 525 O LEU A 33 -11.781 -7.785 1.331 1.00 71.15 O ATOM 526 CB LEU A 33 -9.428 -5.985 1.005 1.00 2.34 C ATOM 527 CG LEU A 33 -8.675 -4.740 0.507 1.00 2.14 C ATOM 528 CD1 LEU A 33 -8.135 -3.926 1.680 1.00 72.52 C ATOM 529 CD2 LEU A 33 -7.549 -5.133 -0.441 1.00 4.32 C ATOM 0 H LEU A 33 -11.254 -5.141 -0.444 1.00 33.01 H new ATOM 0 HA LEU A 33 -9.297 -7.259 -0.730 1.00 72.23 H new ATOM 0 HB2 LEU A 33 -10.205 -5.665 1.699 1.00 2.34 H new ATOM 0 HB3 LEU A 33 -8.733 -6.608 1.569 1.00 2.34 H new ATOM 0 HG LEU A 33 -9.380 -4.116 -0.042 1.00 2.14 H new ATOM 0 HD11 LEU A 33 -7.606 -3.051 1.303 1.00 72.52 H new ATOM 0 HD12 LEU A 33 -8.963 -3.605 2.312 1.00 72.52 H new ATOM 0 HD13 LEU A 33 -7.449 -4.540 2.264 1.00 72.52 H new ATOM 0 HD21 LEU A 33 -7.030 -4.237 -0.781 1.00 4.32 H new ATOM 0 HD22 LEU A 33 -6.846 -5.784 0.079 1.00 4.32 H new ATOM 0 HD23 LEU A 33 -7.964 -5.660 -1.300 1.00 4.32 H new ATOM 541 N LYS A 34 -10.484 -9.251 0.221 1.00 25.32 N ATOM 542 CA LYS A 34 -11.286 -10.416 0.635 1.00 51.24 C ATOM 543 C LYS A 34 -10.455 -11.546 1.283 1.00 54.00 C ATOM 544 O LYS A 34 -10.998 -12.356 2.040 1.00 4.10 O ATOM 545 CB LYS A 34 -12.072 -10.935 -0.576 1.00 25.24 C ATOM 546 CG LYS A 34 -11.200 -11.295 -1.783 1.00 51.11 C ATOM 547 CD LYS A 34 -11.958 -11.118 -3.099 1.00 43.14 C ATOM 548 CE LYS A 34 -13.278 -11.881 -3.109 1.00 21.02 C ATOM 549 NZ LYS A 34 -14.074 -11.600 -4.331 1.00 3.21 N ATOM 0 H LYS A 34 -9.648 -9.478 -0.317 1.00 25.32 H new ATOM 0 HA LYS A 34 -11.969 -10.081 1.416 1.00 51.24 H new ATOM 0 HB2 LYS A 34 -12.640 -11.816 -0.276 1.00 25.24 H new ATOM 0 HB3 LYS A 34 -12.795 -10.177 -0.877 1.00 25.24 H new ATOM 0 HG2 LYS A 34 -10.309 -10.667 -1.789 1.00 51.11 H new ATOM 0 HG3 LYS A 34 -10.862 -12.327 -1.693 1.00 51.11 H new ATOM 0 HD2 LYS A 34 -12.151 -10.058 -3.266 1.00 43.14 H new ATOM 0 HD3 LYS A 34 -11.335 -11.462 -3.925 1.00 43.14 H new ATOM 0 HE2 LYS A 34 -13.079 -12.951 -3.044 1.00 21.02 H new ATOM 0 HE3 LYS A 34 -13.860 -11.611 -2.228 1.00 21.02 H new ATOM 0 HZ1 LYS A 34 -14.963 -12.138 -4.298 1.00 3.21 H new ATOM 0 HZ2 LYS A 34 -14.287 -10.583 -4.381 1.00 3.21 H new ATOM 0 HZ3 LYS A 34 -13.530 -11.881 -5.172 1.00 3.21 H new ATOM 563 N LYS A 35 -9.157 -11.611 0.994 1.00 34.02 N ATOM 564 CA LYS A 35 -8.277 -12.617 1.613 1.00 73.34 C ATOM 565 C LYS A 35 -6.980 -11.973 2.132 1.00 73.33 C ATOM 566 O LYS A 35 -6.478 -11.009 1.551 1.00 33.43 O ATOM 567 CB LYS A 35 -7.956 -13.746 0.619 1.00 21.10 C ATOM 568 CG LYS A 35 -7.195 -13.288 -0.625 1.00 71.01 C ATOM 569 CD LYS A 35 -6.952 -14.429 -1.610 1.00 50.04 C ATOM 570 CE LYS A 35 -6.088 -15.532 -1.009 1.00 61.31 C ATOM 571 NZ LYS A 35 -4.749 -15.031 -0.588 1.00 24.33 N ATOM 0 H LYS A 35 -8.687 -10.985 0.340 1.00 34.02 H new ATOM 0 HA LYS A 35 -8.807 -13.046 2.463 1.00 73.34 H new ATOM 0 HB2 LYS A 35 -7.369 -14.509 1.130 1.00 21.10 H new ATOM 0 HB3 LYS A 35 -8.888 -14.217 0.308 1.00 21.10 H new ATOM 0 HG2 LYS A 35 -7.757 -12.497 -1.121 1.00 71.01 H new ATOM 0 HG3 LYS A 35 -6.238 -12.860 -0.326 1.00 71.01 H new ATOM 0 HD2 LYS A 35 -7.909 -14.848 -1.922 1.00 50.04 H new ATOM 0 HD3 LYS A 35 -6.469 -14.038 -2.505 1.00 50.04 H new ATOM 0 HE2 LYS A 35 -6.599 -15.964 -0.149 1.00 61.31 H new ATOM 0 HE3 LYS A 35 -5.962 -16.331 -1.739 1.00 61.31 H new ATOM 0 HZ1 LYS A 35 -4.012 -15.678 -0.933 1.00 24.33 H new ATOM 0 HZ2 LYS A 35 -4.592 -14.083 -0.987 1.00 24.33 H new ATOM 0 HZ3 LYS A 35 -4.708 -14.981 0.450 1.00 24.33 H new ATOM 585 N GLN A 36 -6.445 -12.504 3.235 1.00 74.11 N ATOM 586 CA GLN A 36 -5.238 -11.939 3.856 1.00 30.31 C ATOM 587 C GLN A 36 -4.087 -11.817 2.846 1.00 73.34 C ATOM 588 O GLN A 36 -3.561 -12.821 2.359 1.00 53.23 O ATOM 589 CB GLN A 36 -4.782 -12.777 5.059 1.00 60.50 C ATOM 590 CG GLN A 36 -3.571 -12.183 5.784 1.00 44.33 C ATOM 591 CD GLN A 36 -3.154 -12.971 7.016 1.00 74.52 C ATOM 592 OE1 GLN A 36 -3.313 -14.185 7.080 1.00 43.25 O ATOM 593 NE2 GLN A 36 -2.626 -12.284 8.007 1.00 54.31 N ATOM 0 H GLN A 36 -6.824 -13.320 3.716 1.00 74.11 H new ATOM 0 HA GLN A 36 -5.503 -10.940 4.204 1.00 30.31 H new ATOM 0 HB2 GLN A 36 -5.609 -12.870 5.763 1.00 60.50 H new ATOM 0 HB3 GLN A 36 -4.537 -13.784 4.720 1.00 60.50 H new ATOM 0 HG2 GLN A 36 -2.731 -12.135 5.092 1.00 44.33 H new ATOM 0 HG3 GLN A 36 -3.800 -11.159 6.078 1.00 44.33 H new ATOM 0 HE21 GLN A 36 -2.508 -11.275 7.922 1.00 54.31 H new ATOM 0 HE22 GLN A 36 -2.335 -12.761 8.860 1.00 54.31 H new ATOM 602 N GLY A 37 -3.713 -10.583 2.540 1.00 14.10 N ATOM 603 CA GLY A 37 -2.662 -10.328 1.568 1.00 44.21 C ATOM 604 C GLY A 37 -3.052 -9.271 0.548 1.00 62.13 C ATOM 605 O GLY A 37 -2.228 -8.436 0.175 1.00 14.34 O ATOM 0 H GLY A 37 -4.122 -9.744 2.951 1.00 14.10 H new ATOM 0 HA2 GLY A 37 -1.760 -10.009 2.090 1.00 44.21 H new ATOM 0 HA3 GLY A 37 -2.419 -11.256 1.050 1.00 44.21 H new ATOM 609 N ASP A 38 -4.316 -9.300 0.111 1.00 52.05 N ATOM 610 CA ASP A 38 -4.812 -8.343 -0.887 1.00 0.11 C ATOM 611 C ASP A 38 -4.464 -6.900 -0.496 1.00 62.12 C ATOM 612 O ASP A 38 -4.844 -6.431 0.579 1.00 13.53 O ATOM 613 CB ASP A 38 -6.334 -8.467 -1.051 1.00 11.45 C ATOM 614 CG ASP A 38 -6.788 -9.846 -1.499 1.00 22.35 C ATOM 615 OD1 ASP A 38 -6.017 -10.539 -2.201 1.00 71.01 O ATOM 616 OD2 ASP A 38 -7.929 -10.229 -1.161 1.00 63.44 O ATOM 0 H ASP A 38 -5.013 -9.973 0.431 1.00 52.05 H new ATOM 0 HA ASP A 38 -4.324 -8.581 -1.832 1.00 0.11 H new ATOM 0 HB2 ASP A 38 -6.814 -8.226 -0.102 1.00 11.45 H new ATOM 0 HB3 ASP A 38 -6.674 -7.728 -1.777 1.00 11.45 H new ATOM 621 N PHE A 39 -3.738 -6.205 -1.366 1.00 65.12 N ATOM 622 CA PHE A 39 -3.368 -4.811 -1.119 1.00 14.14 C ATOM 623 C PHE A 39 -3.462 -3.972 -2.399 1.00 52.54 C ATOM 624 O PHE A 39 -3.273 -4.479 -3.508 1.00 44.12 O ATOM 625 CB PHE A 39 -1.947 -4.720 -0.534 1.00 34.43 C ATOM 626 CG PHE A 39 -0.851 -5.150 -1.481 1.00 33.12 C ATOM 627 CD1 PHE A 39 -0.533 -6.493 -1.640 1.00 10.14 C ATOM 628 CD2 PHE A 39 -0.130 -4.209 -2.207 1.00 62.31 C ATOM 629 CE1 PHE A 39 0.475 -6.885 -2.498 1.00 74.42 C ATOM 630 CE2 PHE A 39 0.879 -4.598 -3.067 1.00 62.34 C ATOM 631 CZ PHE A 39 1.182 -5.937 -3.212 1.00 42.44 C ATOM 0 H PHE A 39 -3.393 -6.582 -2.249 1.00 65.12 H new ATOM 0 HA PHE A 39 -4.076 -4.408 -0.394 1.00 14.14 H new ATOM 0 HB2 PHE A 39 -1.760 -3.692 -0.225 1.00 34.43 H new ATOM 0 HB3 PHE A 39 -1.897 -5.337 0.363 1.00 34.43 H new ATOM 0 HD1 PHE A 39 -1.081 -7.240 -1.085 1.00 10.14 H new ATOM 0 HD2 PHE A 39 -0.362 -3.160 -2.097 1.00 62.31 H new ATOM 0 HE1 PHE A 39 0.711 -7.933 -2.611 1.00 74.42 H new ATOM 0 HE2 PHE A 39 1.430 -3.855 -3.625 1.00 62.34 H new ATOM 0 HZ PHE A 39 1.971 -6.243 -3.883 1.00 42.44 H new ATOM 641 N LEU A 40 -3.767 -2.689 -2.235 1.00 40.33 N ATOM 642 CA LEU A 40 -3.780 -1.746 -3.357 1.00 74.33 C ATOM 643 C LEU A 40 -3.337 -0.349 -2.911 1.00 70.40 C ATOM 644 O LEU A 40 -3.499 0.029 -1.747 1.00 61.54 O ATOM 645 CB LEU A 40 -5.179 -1.647 -3.991 1.00 0.13 C ATOM 646 CG LEU A 40 -6.263 -0.966 -3.127 1.00 74.54 C ATOM 647 CD1 LEU A 40 -7.406 -0.457 -3.997 1.00 72.32 C ATOM 648 CD2 LEU A 40 -6.794 -1.921 -2.058 1.00 20.45 C ATOM 0 H LEU A 40 -4.010 -2.274 -1.335 1.00 40.33 H new ATOM 0 HA LEU A 40 -3.078 -2.129 -4.098 1.00 74.33 H new ATOM 0 HB2 LEU A 40 -5.094 -1.100 -4.930 1.00 0.13 H new ATOM 0 HB3 LEU A 40 -5.517 -2.653 -4.238 1.00 0.13 H new ATOM 0 HG LEU A 40 -5.803 -0.115 -2.626 1.00 74.54 H new ATOM 0 HD11 LEU A 40 -8.158 0.019 -3.368 1.00 72.32 H new ATOM 0 HD12 LEU A 40 -7.022 0.268 -4.715 1.00 72.32 H new ATOM 0 HD13 LEU A 40 -7.857 -1.293 -4.532 1.00 72.32 H new ATOM 0 HD21 LEU A 40 -7.556 -1.415 -1.464 1.00 20.45 H new ATOM 0 HD22 LEU A 40 -7.230 -2.797 -2.537 1.00 20.45 H new ATOM 0 HD23 LEU A 40 -5.975 -2.232 -1.409 1.00 20.45 H new ATOM 660 N VAL A 41 -2.783 0.419 -3.846 1.00 63.22 N ATOM 661 CA VAL A 41 -2.425 1.814 -3.580 1.00 65.15 C ATOM 662 C VAL A 41 -3.438 2.764 -4.231 1.00 14.21 C ATOM 663 O VAL A 41 -3.736 2.661 -5.426 1.00 3.33 O ATOM 664 CB VAL A 41 -0.996 2.144 -4.085 1.00 30.13 C ATOM 665 CG1 VAL A 41 -0.660 3.622 -3.861 1.00 52.10 C ATOM 666 CG2 VAL A 41 0.030 1.245 -3.399 1.00 51.03 C ATOM 0 H VAL A 41 -2.572 0.102 -4.792 1.00 63.22 H new ATOM 0 HA VAL A 41 -2.444 1.954 -2.499 1.00 65.15 H new ATOM 0 HB VAL A 41 -0.961 1.954 -5.158 1.00 30.13 H new ATOM 0 HG11 VAL A 41 0.347 3.825 -4.224 1.00 52.10 H new ATOM 0 HG12 VAL A 41 -1.373 4.243 -4.403 1.00 52.10 H new ATOM 0 HG13 VAL A 41 -0.715 3.850 -2.797 1.00 52.10 H new ATOM 0 HG21 VAL A 41 1.028 1.488 -3.763 1.00 51.03 H new ATOM 0 HG22 VAL A 41 -0.011 1.402 -2.321 1.00 51.03 H new ATOM 0 HG23 VAL A 41 -0.194 0.202 -3.622 1.00 51.03 H new ATOM 676 N ARG A 42 -3.978 3.675 -3.430 1.00 4.22 N ATOM 677 CA ARG A 42 -4.991 4.628 -3.896 1.00 2.13 C ATOM 678 C ARG A 42 -4.619 6.068 -3.519 1.00 24.34 C ATOM 679 O ARG A 42 -3.975 6.307 -2.498 1.00 75.41 O ATOM 680 CB ARG A 42 -6.358 4.269 -3.293 1.00 31.52 C ATOM 681 CG ARG A 42 -6.323 4.099 -1.775 1.00 32.13 C ATOM 682 CD ARG A 42 -7.692 3.759 -1.196 1.00 11.24 C ATOM 683 NE ARG A 42 -8.597 4.906 -1.196 1.00 25.23 N ATOM 684 CZ ARG A 42 -8.843 5.652 -0.153 1.00 41.15 C ATOM 685 NH1 ARG A 42 -8.274 5.405 0.986 1.00 51.14 N ATOM 686 NH2 ARG A 42 -9.653 6.655 -0.257 1.00 30.32 N ATOM 0 H ARG A 42 -3.732 3.778 -2.446 1.00 4.22 H new ATOM 0 HA ARG A 42 -5.040 4.565 -4.983 1.00 2.13 H new ATOM 0 HB2 ARG A 42 -7.076 5.049 -3.548 1.00 31.52 H new ATOM 0 HB3 ARG A 42 -6.716 3.345 -3.747 1.00 31.52 H new ATOM 0 HG2 ARG A 42 -5.616 3.310 -1.517 1.00 32.13 H new ATOM 0 HG3 ARG A 42 -5.956 5.018 -1.318 1.00 32.13 H new ATOM 0 HD2 ARG A 42 -8.137 2.949 -1.774 1.00 11.24 H new ATOM 0 HD3 ARG A 42 -7.572 3.394 -0.176 1.00 11.24 H new ATOM 0 HE ARG A 42 -9.068 5.140 -2.070 1.00 25.23 H new ATOM 0 HH11 ARG A 42 -7.627 4.621 1.074 1.00 51.14 H new ATOM 0 HH12 ARG A 42 -8.474 5.994 1.794 1.00 51.14 H new ATOM 0 HH21 ARG A 42 -10.097 6.861 -1.152 1.00 30.32 H new ATOM 0 HH22 ARG A 42 -9.847 7.240 0.556 1.00 30.32 H new ATOM 700 N GLU A 43 -5.030 7.021 -4.351 1.00 63.31 N ATOM 701 CA GLU A 43 -4.810 8.440 -4.066 1.00 51.40 C ATOM 702 C GLU A 43 -6.011 9.017 -3.304 1.00 63.04 C ATOM 703 O GLU A 43 -7.157 8.874 -3.735 1.00 54.45 O ATOM 704 CB GLU A 43 -4.579 9.216 -5.373 1.00 20.01 C ATOM 705 CG GLU A 43 -4.157 10.669 -5.160 1.00 0.23 C ATOM 706 CD GLU A 43 -3.906 11.407 -6.467 1.00 43.15 C ATOM 707 OE1 GLU A 43 -2.897 11.104 -7.143 1.00 14.53 O ATOM 708 OE2 GLU A 43 -4.713 12.290 -6.828 1.00 20.10 O ATOM 0 H GLU A 43 -5.517 6.839 -5.228 1.00 63.31 H new ATOM 0 HA GLU A 43 -3.921 8.541 -3.443 1.00 51.40 H new ATOM 0 HB2 GLU A 43 -3.812 8.706 -5.957 1.00 20.01 H new ATOM 0 HB3 GLU A 43 -5.495 9.196 -5.963 1.00 20.01 H new ATOM 0 HG2 GLU A 43 -4.932 11.189 -4.597 1.00 0.23 H new ATOM 0 HG3 GLU A 43 -3.252 10.695 -4.554 1.00 0.23 H new ATOM 715 N SER A 44 -5.752 9.643 -2.161 1.00 23.23 N ATOM 716 CA SER A 44 -6.819 10.219 -1.337 1.00 1.14 C ATOM 717 C SER A 44 -7.486 11.405 -2.040 1.00 4.24 C ATOM 718 O SER A 44 -6.856 12.434 -2.280 1.00 34.43 O ATOM 719 CB SER A 44 -6.269 10.674 0.023 1.00 23.23 C ATOM 720 OG SER A 44 -7.291 11.238 0.833 1.00 62.25 O ATOM 0 H SER A 44 -4.814 9.767 -1.780 1.00 23.23 H new ATOM 0 HA SER A 44 -7.566 9.441 -1.181 1.00 1.14 H new ATOM 0 HB2 SER A 44 -5.821 9.825 0.539 1.00 23.23 H new ATOM 0 HB3 SER A 44 -5.477 11.408 -0.130 1.00 23.23 H new ATOM 0 HG SER A 44 -6.952 11.369 1.743 1.00 62.25 H new ATOM 726 N HIS A 45 -8.770 11.263 -2.365 1.00 53.14 N ATOM 727 CA HIS A 45 -9.510 12.346 -3.015 1.00 12.15 C ATOM 728 C HIS A 45 -9.933 13.404 -1.980 1.00 50.24 C ATOM 729 O HIS A 45 -10.294 14.527 -2.335 1.00 70.32 O ATOM 730 CB HIS A 45 -10.734 11.793 -3.763 1.00 35.45 C ATOM 731 CG HIS A 45 -11.195 12.666 -4.896 1.00 53.43 C ATOM 732 ND1 HIS A 45 -12.049 12.228 -5.883 1.00 1.42 N ATOM 733 CD2 HIS A 45 -10.904 13.953 -5.206 1.00 53.32 C ATOM 734 CE1 HIS A 45 -12.264 13.201 -6.745 1.00 74.21 C ATOM 735 NE2 HIS A 45 -11.580 14.258 -6.362 1.00 4.34 N ATOM 0 H HIS A 45 -9.316 10.419 -2.192 1.00 53.14 H new ATOM 0 HA HIS A 45 -8.855 12.823 -3.744 1.00 12.15 H new ATOM 0 HB2 HIS A 45 -10.494 10.804 -4.153 1.00 35.45 H new ATOM 0 HB3 HIS A 45 -11.554 11.667 -3.056 1.00 35.45 H new ATOM 0 HD2 HIS A 45 -10.260 14.616 -4.647 1.00 53.32 H new ATOM 0 HE1 HIS A 45 -12.896 13.141 -7.619 1.00 74.21 H new ATOM 0 HE2 HIS A 45 -11.556 15.156 -6.844 1.00 4.34 H new ATOM 744 N GLY A 46 -9.897 13.026 -0.701 1.00 32.44 N ATOM 745 CA GLY A 46 -10.149 13.976 0.380 1.00 50.11 C ATOM 746 C GLY A 46 -8.896 14.756 0.764 1.00 41.21 C ATOM 747 O GLY A 46 -8.975 15.888 1.242 1.00 2.43 O ATOM 0 H GLY A 46 -9.697 12.075 -0.391 1.00 32.44 H new ATOM 0 HA2 GLY A 46 -10.930 14.673 0.075 1.00 50.11 H new ATOM 0 HA3 GLY A 46 -10.523 13.440 1.252 1.00 50.11 H new ATOM 751 N LYS A 47 -7.736 14.133 0.560 1.00 21.51 N ATOM 752 CA LYS A 47 -6.436 14.778 0.777 1.00 21.12 C ATOM 753 C LYS A 47 -5.593 14.695 -0.513 1.00 61.33 C ATOM 754 O LYS A 47 -4.764 13.796 -0.673 1.00 14.33 O ATOM 755 CB LYS A 47 -5.707 14.101 1.950 1.00 75.13 C ATOM 756 CG LYS A 47 -4.343 14.698 2.290 1.00 25.11 C ATOM 757 CD LYS A 47 -4.446 16.113 2.846 1.00 22.21 C ATOM 758 CE LYS A 47 -3.079 16.644 3.266 1.00 42.23 C ATOM 759 NZ LYS A 47 -2.443 15.792 4.310 1.00 3.11 N ATOM 0 H LYS A 47 -7.668 13.167 0.240 1.00 21.51 H new ATOM 0 HA LYS A 47 -6.587 15.828 1.026 1.00 21.12 H new ATOM 0 HB2 LYS A 47 -6.342 14.156 2.834 1.00 75.13 H new ATOM 0 HB3 LYS A 47 -5.577 13.044 1.717 1.00 75.13 H new ATOM 0 HG2 LYS A 47 -3.843 14.060 3.019 1.00 25.11 H new ATOM 0 HG3 LYS A 47 -3.721 14.707 1.395 1.00 25.11 H new ATOM 0 HD2 LYS A 47 -4.879 16.771 2.093 1.00 22.21 H new ATOM 0 HD3 LYS A 47 -5.121 16.121 3.702 1.00 22.21 H new ATOM 0 HE2 LYS A 47 -2.427 16.695 2.394 1.00 42.23 H new ATOM 0 HE3 LYS A 47 -3.186 17.661 3.644 1.00 42.23 H new ATOM 0 HZ1 LYS A 47 -1.593 16.267 4.675 1.00 3.11 H new ATOM 0 HZ2 LYS A 47 -3.115 15.638 5.089 1.00 3.11 H new ATOM 0 HZ3 LYS A 47 -2.177 14.876 3.896 1.00 3.11 H new ATOM 773 N PRO A 48 -5.820 15.630 -1.463 1.00 70.55 N ATOM 774 CA PRO A 48 -5.190 15.592 -2.802 1.00 42.43 C ATOM 775 C PRO A 48 -3.658 15.427 -2.773 1.00 31.40 C ATOM 776 O PRO A 48 -2.953 16.177 -2.095 1.00 23.14 O ATOM 777 CB PRO A 48 -5.573 16.951 -3.404 1.00 60.20 C ATOM 778 CG PRO A 48 -6.843 17.319 -2.715 1.00 4.42 C ATOM 779 CD PRO A 48 -6.706 16.802 -1.307 1.00 3.25 C ATOM 0 HA PRO A 48 -5.533 14.729 -3.372 1.00 42.43 H new ATOM 0 HB2 PRO A 48 -4.796 17.696 -3.229 1.00 60.20 H new ATOM 0 HB3 PRO A 48 -5.712 16.882 -4.483 1.00 60.20 H new ATOM 0 HG2 PRO A 48 -6.994 18.398 -2.723 1.00 4.42 H new ATOM 0 HG3 PRO A 48 -7.703 16.873 -3.214 1.00 4.42 H new ATOM 0 HD2 PRO A 48 -6.271 17.550 -0.644 1.00 3.25 H new ATOM 0 HD3 PRO A 48 -7.671 16.524 -0.884 1.00 3.25 H new ATOM 787 N GLY A 49 -3.155 14.439 -3.514 1.00 25.02 N ATOM 788 CA GLY A 49 -1.713 14.212 -3.605 1.00 61.53 C ATOM 789 C GLY A 49 -1.186 13.202 -2.587 1.00 31.25 C ATOM 790 O GLY A 49 -0.070 12.695 -2.727 1.00 61.45 O ATOM 0 H GLY A 49 -3.721 13.787 -4.057 1.00 25.02 H new ATOM 0 HA2 GLY A 49 -1.472 13.863 -4.609 1.00 61.53 H new ATOM 0 HA3 GLY A 49 -1.195 15.161 -3.464 1.00 61.53 H new ATOM 794 N GLU A 50 -1.985 12.901 -1.567 1.00 4.42 N ATOM 795 CA GLU A 50 -1.586 11.953 -0.518 1.00 33.52 C ATOM 796 C GLU A 50 -2.081 10.533 -0.838 1.00 21.02 C ATOM 797 O GLU A 50 -3.253 10.325 -1.140 1.00 65.41 O ATOM 798 CB GLU A 50 -2.142 12.416 0.835 1.00 30.21 C ATOM 799 CG GLU A 50 -1.714 11.559 2.021 1.00 55.11 C ATOM 800 CD GLU A 50 -2.273 12.076 3.338 1.00 25.31 C ATOM 801 OE1 GLU A 50 -1.731 13.071 3.874 1.00 35.12 O ATOM 802 OE2 GLU A 50 -3.258 11.503 3.842 1.00 10.01 O ATOM 0 H GLU A 50 -2.916 13.298 -1.440 1.00 4.42 H new ATOM 0 HA GLU A 50 -0.497 11.926 -0.472 1.00 33.52 H new ATOM 0 HB2 GLU A 50 -1.824 13.443 1.012 1.00 30.21 H new ATOM 0 HB3 GLU A 50 -3.231 12.424 0.783 1.00 30.21 H new ATOM 0 HG2 GLU A 50 -2.048 10.533 1.865 1.00 55.11 H new ATOM 0 HG3 GLU A 50 -0.626 11.535 2.075 1.00 55.11 H new ATOM 809 N TYR A 51 -1.181 9.556 -0.765 1.00 61.44 N ATOM 810 CA TYR A 51 -1.515 8.167 -1.109 1.00 63.43 C ATOM 811 C TYR A 51 -1.692 7.289 0.138 1.00 64.11 C ATOM 812 O TYR A 51 -0.968 7.427 1.123 1.00 43.25 O ATOM 813 CB TYR A 51 -0.436 7.579 -2.024 1.00 4.45 C ATOM 814 CG TYR A 51 -0.382 8.248 -3.387 1.00 35.41 C ATOM 815 CD1 TYR A 51 0.224 9.492 -3.554 1.00 22.33 C ATOM 816 CD2 TYR A 51 -0.949 7.644 -4.506 1.00 64.51 C ATOM 817 CE1 TYR A 51 0.265 10.107 -4.790 1.00 50.42 C ATOM 818 CE2 TYR A 51 -0.913 8.257 -5.743 1.00 0.33 C ATOM 819 CZ TYR A 51 -0.306 9.486 -5.879 1.00 53.04 C ATOM 820 OH TYR A 51 -0.278 10.097 -7.111 1.00 10.31 O ATOM 0 H TYR A 51 -0.214 9.695 -0.471 1.00 61.44 H new ATOM 0 HA TYR A 51 -2.470 8.179 -1.634 1.00 63.43 H new ATOM 0 HB2 TYR A 51 0.535 7.676 -1.539 1.00 4.45 H new ATOM 0 HB3 TYR A 51 -0.621 6.513 -2.156 1.00 4.45 H new ATOM 0 HD1 TYR A 51 0.669 9.984 -2.702 1.00 22.33 H new ATOM 0 HD2 TYR A 51 -1.425 6.680 -4.405 1.00 64.51 H new ATOM 0 HE1 TYR A 51 0.742 11.069 -4.902 1.00 50.42 H new ATOM 0 HE2 TYR A 51 -1.359 7.775 -6.600 1.00 0.33 H new ATOM 0 HH TYR A 51 -1.152 10.501 -7.296 1.00 10.31 H new ATOM 830 N VAL A 52 -2.665 6.381 0.081 1.00 73.23 N ATOM 831 CA VAL A 52 -2.952 5.468 1.192 1.00 73.12 C ATOM 832 C VAL A 52 -2.935 4.001 0.728 1.00 35.54 C ATOM 833 O VAL A 52 -3.583 3.640 -0.257 1.00 22.43 O ATOM 834 CB VAL A 52 -4.331 5.776 1.837 1.00 1.31 C ATOM 835 CG1 VAL A 52 -4.591 4.861 3.035 1.00 53.51 C ATOM 836 CG2 VAL A 52 -4.427 7.247 2.244 1.00 40.40 C ATOM 0 H VAL A 52 -3.273 6.256 -0.728 1.00 73.23 H new ATOM 0 HA VAL A 52 -2.168 5.621 1.933 1.00 73.12 H new ATOM 0 HB VAL A 52 -5.102 5.581 1.091 1.00 1.31 H new ATOM 0 HG11 VAL A 52 -5.563 5.097 3.469 1.00 53.51 H new ATOM 0 HG12 VAL A 52 -4.582 3.821 2.707 1.00 53.51 H new ATOM 0 HG13 VAL A 52 -3.813 5.012 3.784 1.00 53.51 H new ATOM 0 HG21 VAL A 52 -5.402 7.437 2.693 1.00 40.40 H new ATOM 0 HG22 VAL A 52 -3.644 7.477 2.966 1.00 40.40 H new ATOM 0 HG23 VAL A 52 -4.304 7.877 1.363 1.00 40.40 H new ATOM 846 N LEU A 53 -2.191 3.165 1.443 1.00 1.01 N ATOM 847 CA LEU A 53 -2.153 1.727 1.168 1.00 35.21 C ATOM 848 C LEU A 53 -3.274 1.005 1.931 1.00 44.42 C ATOM 849 O LEU A 53 -3.467 1.227 3.126 1.00 44.41 O ATOM 850 CB LEU A 53 -0.792 1.146 1.578 1.00 50.10 C ATOM 851 CG LEU A 53 -0.601 -0.358 1.303 1.00 3.44 C ATOM 852 CD1 LEU A 53 -0.595 -0.643 -0.199 1.00 73.22 C ATOM 853 CD2 LEU A 53 0.682 -0.869 1.953 1.00 20.54 C ATOM 0 H LEU A 53 -1.602 3.457 2.223 1.00 1.01 H new ATOM 0 HA LEU A 53 -2.300 1.577 0.098 1.00 35.21 H new ATOM 0 HB2 LEU A 53 -0.010 1.695 1.054 1.00 50.10 H new ATOM 0 HB3 LEU A 53 -0.647 1.324 2.644 1.00 50.10 H new ATOM 0 HG LEU A 53 -1.443 -0.890 1.745 1.00 3.44 H new ATOM 0 HD11 LEU A 53 -0.459 -1.711 -0.366 1.00 73.22 H new ATOM 0 HD12 LEU A 53 -1.543 -0.326 -0.633 1.00 73.22 H new ATOM 0 HD13 LEU A 53 0.221 -0.095 -0.670 1.00 73.22 H new ATOM 0 HD21 LEU A 53 0.796 -1.933 1.746 1.00 20.54 H new ATOM 0 HD22 LEU A 53 1.536 -0.327 1.548 1.00 20.54 H new ATOM 0 HD23 LEU A 53 0.631 -0.713 3.031 1.00 20.54 H new ATOM 865 N SER A 54 -4.022 0.154 1.236 1.00 41.42 N ATOM 866 CA SER A 54 -5.110 -0.611 1.864 1.00 34.44 C ATOM 867 C SER A 54 -4.904 -2.115 1.662 1.00 44.45 C ATOM 868 O SER A 54 -4.906 -2.600 0.534 1.00 64.02 O ATOM 869 CB SER A 54 -6.469 -0.163 1.303 1.00 20.34 C ATOM 870 OG SER A 54 -6.734 1.195 1.645 1.00 32.41 O ATOM 0 H SER A 54 -3.900 -0.028 0.240 1.00 41.42 H new ATOM 0 HA SER A 54 -5.098 -0.413 2.936 1.00 34.44 H new ATOM 0 HB2 SER A 54 -6.476 -0.278 0.219 1.00 20.34 H new ATOM 0 HB3 SER A 54 -7.259 -0.803 1.696 1.00 20.34 H new ATOM 0 HG SER A 54 -7.067 1.242 2.566 1.00 32.41 H new ATOM 876 N VAL A 55 -4.722 -2.839 2.767 1.00 32.35 N ATOM 877 CA VAL A 55 -4.392 -4.272 2.727 1.00 63.20 C ATOM 878 C VAL A 55 -5.260 -5.089 3.708 1.00 21.32 C ATOM 879 O VAL A 55 -5.674 -4.591 4.754 1.00 1.34 O ATOM 880 CB VAL A 55 -2.889 -4.486 3.049 1.00 34.45 C ATOM 881 CG1 VAL A 55 -2.529 -3.865 4.397 1.00 22.15 C ATOM 882 CG2 VAL A 55 -2.516 -5.970 3.013 1.00 42.12 C ATOM 0 H VAL A 55 -4.797 -2.457 3.710 1.00 32.35 H new ATOM 0 HA VAL A 55 -4.603 -4.628 1.719 1.00 63.20 H new ATOM 0 HB VAL A 55 -2.309 -3.982 2.276 1.00 34.45 H new ATOM 0 HG11 VAL A 55 -1.471 -4.027 4.601 1.00 22.15 H new ATOM 0 HG12 VAL A 55 -2.733 -2.795 4.371 1.00 22.15 H new ATOM 0 HG13 VAL A 55 -3.126 -4.329 5.182 1.00 22.15 H new ATOM 0 HG21 VAL A 55 -1.457 -6.085 3.243 1.00 42.12 H new ATOM 0 HG22 VAL A 55 -3.108 -6.512 3.750 1.00 42.12 H new ATOM 0 HG23 VAL A 55 -2.717 -6.372 2.020 1.00 42.12 H new ATOM 892 N TYR A 56 -5.537 -6.345 3.358 1.00 64.22 N ATOM 893 CA TYR A 56 -6.387 -7.221 4.180 1.00 60.22 C ATOM 894 C TYR A 56 -5.551 -8.081 5.153 1.00 53.51 C ATOM 895 O TYR A 56 -4.729 -8.893 4.728 1.00 41.32 O ATOM 896 CB TYR A 56 -7.213 -8.132 3.260 1.00 44.11 C ATOM 897 CG TYR A 56 -8.441 -8.744 3.914 1.00 13.41 C ATOM 898 CD1 TYR A 56 -9.650 -8.058 3.935 1.00 45.23 C ATOM 899 CD2 TYR A 56 -8.397 -10.009 4.491 1.00 41.51 C ATOM 900 CE1 TYR A 56 -10.777 -8.611 4.510 1.00 73.41 C ATOM 901 CE2 TYR A 56 -9.520 -10.567 5.070 1.00 33.31 C ATOM 902 CZ TYR A 56 -10.707 -9.865 5.075 1.00 35.34 C ATOM 903 OH TYR A 56 -11.831 -10.419 5.646 1.00 34.45 O ATOM 0 H TYR A 56 -5.185 -6.785 2.507 1.00 64.22 H new ATOM 0 HA TYR A 56 -7.046 -6.592 4.778 1.00 60.22 H new ATOM 0 HB2 TYR A 56 -7.529 -7.557 2.390 1.00 44.11 H new ATOM 0 HB3 TYR A 56 -6.573 -8.935 2.896 1.00 44.11 H new ATOM 0 HD1 TYR A 56 -9.709 -7.074 3.493 1.00 45.23 H new ATOM 0 HD2 TYR A 56 -7.470 -10.563 4.486 1.00 41.51 H new ATOM 0 HE1 TYR A 56 -11.708 -8.063 4.517 1.00 73.41 H new ATOM 0 HE2 TYR A 56 -9.469 -11.549 5.517 1.00 33.31 H new ATOM 0 HH TYR A 56 -11.992 -10.006 6.520 1.00 34.45 H new ATOM 913 N SER A 57 -5.761 -7.894 6.458 1.00 32.52 N ATOM 914 CA SER A 57 -5.062 -8.694 7.481 1.00 31.12 C ATOM 915 C SER A 57 -5.941 -8.921 8.721 1.00 62.53 C ATOM 916 O SER A 57 -6.653 -8.016 9.156 1.00 74.34 O ATOM 917 CB SER A 57 -3.747 -8.021 7.906 1.00 3.14 C ATOM 918 OG SER A 57 -3.044 -8.814 8.858 1.00 35.42 O ATOM 0 H SER A 57 -6.406 -7.200 6.836 1.00 32.52 H new ATOM 0 HA SER A 57 -4.841 -9.661 7.028 1.00 31.12 H new ATOM 0 HB2 SER A 57 -3.119 -7.859 7.030 1.00 3.14 H new ATOM 0 HB3 SER A 57 -3.959 -7.040 8.332 1.00 3.14 H new ATOM 0 HG SER A 57 -3.429 -8.674 9.748 1.00 35.42 H new ATOM 924 N ASP A 58 -5.884 -10.137 9.282 1.00 11.22 N ATOM 925 CA ASP A 58 -6.631 -10.493 10.507 1.00 72.01 C ATOM 926 C ASP A 58 -8.156 -10.437 10.290 1.00 34.41 C ATOM 927 O ASP A 58 -8.926 -10.329 11.247 1.00 12.31 O ATOM 928 CB ASP A 58 -6.238 -9.563 11.667 1.00 44.42 C ATOM 929 CG ASP A 58 -4.743 -9.538 11.923 1.00 71.20 C ATOM 930 OD1 ASP A 58 -4.203 -10.539 12.431 1.00 53.12 O ATOM 931 OD2 ASP A 58 -4.103 -8.504 11.632 1.00 51.01 O ATOM 0 H ASP A 58 -5.323 -10.901 8.905 1.00 11.22 H new ATOM 0 HA ASP A 58 -6.365 -11.520 10.758 1.00 72.01 H new ATOM 0 HB2 ASP A 58 -6.581 -8.552 11.448 1.00 44.42 H new ATOM 0 HB3 ASP A 58 -6.751 -9.884 12.573 1.00 44.42 H new ATOM 936 N GLY A 59 -8.588 -10.532 9.037 1.00 54.14 N ATOM 937 CA GLY A 59 -10.006 -10.374 8.714 1.00 53.43 C ATOM 938 C GLY A 59 -10.428 -8.909 8.602 1.00 61.40 C ATOM 939 O GLY A 59 -11.551 -8.604 8.196 1.00 21.33 O ATOM 0 H GLY A 59 -7.986 -10.716 8.234 1.00 54.14 H new ATOM 0 HA2 GLY A 59 -10.218 -10.882 7.773 1.00 53.43 H new ATOM 0 HA3 GLY A 59 -10.606 -10.862 9.482 1.00 53.43 H new ATOM 943 N GLN A 60 -9.524 -8.000 8.960 1.00 31.34 N ATOM 944 CA GLN A 60 -9.787 -6.559 8.887 1.00 44.35 C ATOM 945 C GLN A 60 -9.081 -5.929 7.679 1.00 20.21 C ATOM 946 O GLN A 60 -8.105 -6.474 7.161 1.00 41.41 O ATOM 947 CB GLN A 60 -9.306 -5.865 10.172 1.00 42.14 C ATOM 948 CG GLN A 60 -9.950 -6.398 11.448 1.00 63.41 C ATOM 949 CD GLN A 60 -9.524 -5.625 12.687 1.00 41.01 C ATOM 950 OE1 GLN A 60 -8.519 -5.934 13.317 1.00 52.45 O ATOM 951 NE2 GLN A 60 -10.285 -4.608 13.048 1.00 1.02 N ATOM 0 H GLN A 60 -8.594 -8.236 9.307 1.00 31.34 H new ATOM 0 HA GLN A 60 -10.863 -6.423 8.776 1.00 44.35 H new ATOM 0 HB2 GLN A 60 -8.225 -5.978 10.250 1.00 42.14 H new ATOM 0 HB3 GLN A 60 -9.511 -4.797 10.094 1.00 42.14 H new ATOM 0 HG2 GLN A 60 -11.035 -6.351 11.350 1.00 63.41 H new ATOM 0 HG3 GLN A 60 -9.687 -7.448 11.572 1.00 63.41 H new ATOM 0 HE21 GLN A 60 -11.116 -4.374 12.504 1.00 1.02 H new ATOM 0 HE22 GLN A 60 -10.042 -4.056 13.871 1.00 1.02 H new ATOM 960 N ARG A 61 -9.575 -4.779 7.225 1.00 54.53 N ATOM 961 CA ARG A 61 -8.904 -4.028 6.162 1.00 3.35 C ATOM 962 C ARG A 61 -8.012 -2.930 6.760 1.00 71.23 C ATOM 963 O ARG A 61 -8.499 -1.889 7.200 1.00 44.43 O ATOM 964 CB ARG A 61 -9.915 -3.400 5.192 1.00 15.53 C ATOM 965 CG ARG A 61 -10.728 -4.406 4.374 1.00 40.01 C ATOM 966 CD ARG A 61 -11.940 -4.952 5.130 1.00 43.43 C ATOM 967 NE ARG A 61 -13.137 -4.962 4.289 1.00 63.32 N ATOM 968 CZ ARG A 61 -14.033 -5.907 4.279 1.00 53.31 C ATOM 969 NH1 ARG A 61 -13.881 -6.972 5.000 1.00 35.14 N ATOM 970 NH2 ARG A 61 -15.087 -5.789 3.539 1.00 62.21 N ATOM 0 H ARG A 61 -10.432 -4.348 7.573 1.00 54.53 H new ATOM 0 HA ARG A 61 -8.286 -4.732 5.605 1.00 3.35 H new ATOM 0 HB2 ARG A 61 -10.603 -2.775 5.761 1.00 15.53 H new ATOM 0 HB3 ARG A 61 -9.380 -2.743 4.506 1.00 15.53 H new ATOM 0 HG2 ARG A 61 -11.066 -3.929 3.454 1.00 40.01 H new ATOM 0 HG3 ARG A 61 -10.083 -5.236 4.085 1.00 40.01 H new ATOM 0 HD2 ARG A 61 -11.729 -5.964 5.476 1.00 43.43 H new ATOM 0 HD3 ARG A 61 -12.122 -4.344 6.016 1.00 43.43 H new ATOM 0 HE ARG A 61 -13.281 -4.169 3.663 1.00 63.32 H new ATOM 0 HH11 ARG A 61 -13.052 -7.078 5.585 1.00 35.14 H new ATOM 0 HH12 ARG A 61 -14.590 -7.705 4.983 1.00 35.14 H new ATOM 0 HH21 ARG A 61 -15.216 -4.956 2.964 1.00 62.21 H new ATOM 0 HH22 ARG A 61 -15.789 -6.529 3.530 1.00 62.21 H new ATOM 984 N ARG A 62 -6.708 -3.173 6.762 1.00 71.35 N ATOM 985 CA ARG A 62 -5.740 -2.228 7.322 1.00 23.43 C ATOM 986 C ARG A 62 -5.495 -1.060 6.355 1.00 12.15 C ATOM 987 O ARG A 62 -5.368 -1.258 5.145 1.00 31.12 O ATOM 988 CB ARG A 62 -4.413 -2.944 7.609 1.00 61.15 C ATOM 989 CG ARG A 62 -4.550 -4.199 8.468 1.00 21.24 C ATOM 990 CD ARG A 62 -5.011 -3.889 9.889 1.00 12.24 C ATOM 991 NE ARG A 62 -5.077 -5.103 10.701 1.00 21.42 N ATOM 992 CZ ARG A 62 -5.812 -5.242 11.770 1.00 63.10 C ATOM 993 NH1 ARG A 62 -6.503 -4.254 12.243 1.00 55.41 N ATOM 994 NH2 ARG A 62 -5.838 -6.377 12.382 1.00 51.04 N ATOM 0 H ARG A 62 -6.290 -4.022 6.380 1.00 71.35 H new ATOM 0 HA ARG A 62 -6.149 -1.832 8.252 1.00 23.43 H new ATOM 0 HB2 ARG A 62 -3.948 -3.215 6.661 1.00 61.15 H new ATOM 0 HB3 ARG A 62 -3.738 -2.248 8.108 1.00 61.15 H new ATOM 0 HG2 ARG A 62 -5.261 -4.880 8.000 1.00 21.24 H new ATOM 0 HG3 ARG A 62 -3.591 -4.716 8.506 1.00 21.24 H new ATOM 0 HD2 ARG A 62 -4.325 -3.178 10.349 1.00 12.24 H new ATOM 0 HD3 ARG A 62 -5.992 -3.414 9.860 1.00 12.24 H new ATOM 0 HE ARG A 62 -4.508 -5.898 10.411 1.00 21.42 H new ATOM 0 HH11 ARG A 62 -6.479 -3.346 11.778 1.00 55.41 H new ATOM 0 HH12 ARG A 62 -7.071 -4.384 13.080 1.00 55.41 H new ATOM 0 HH21 ARG A 62 -5.286 -7.159 12.030 1.00 51.04 H new ATOM 0 HH22 ARG A 62 -6.410 -6.492 13.218 1.00 51.04 H new ATOM 1008 N HIS A 63 -5.436 0.157 6.887 1.00 63.52 N ATOM 1009 CA HIS A 63 -5.168 1.344 6.067 1.00 44.31 C ATOM 1010 C HIS A 63 -3.931 2.096 6.580 1.00 1.21 C ATOM 1011 O HIS A 63 -3.916 2.590 7.709 1.00 54.15 O ATOM 1012 CB HIS A 63 -6.389 2.275 6.062 1.00 63.11 C ATOM 1013 CG HIS A 63 -7.657 1.608 5.608 1.00 74.03 C ATOM 1014 ND1 HIS A 63 -7.883 1.229 4.300 1.00 11.21 N ATOM 1015 CD2 HIS A 63 -8.773 1.253 6.295 1.00 74.11 C ATOM 1016 CE1 HIS A 63 -9.075 0.675 4.202 1.00 63.51 C ATOM 1017 NE2 HIS A 63 -9.635 0.676 5.392 1.00 63.45 N ATOM 0 H HIS A 63 -5.569 0.352 7.879 1.00 63.52 H new ATOM 0 HA HIS A 63 -4.970 1.015 5.047 1.00 44.31 H new ATOM 0 HB2 HIS A 63 -6.537 2.671 7.067 1.00 63.11 H new ATOM 0 HB3 HIS A 63 -6.184 3.125 5.412 1.00 63.11 H new ATOM 0 HD2 HIS A 63 -8.950 1.397 7.351 1.00 74.11 H new ATOM 0 HE1 HIS A 63 -9.517 0.286 3.297 1.00 63.51 H new ATOM 0 HE2 HIS A 63 -10.561 0.308 5.610 1.00 63.45 H new ATOM 1026 N PHE A 64 -2.900 2.181 5.745 1.00 32.41 N ATOM 1027 CA PHE A 64 -1.654 2.870 6.104 1.00 64.33 C ATOM 1028 C PHE A 64 -1.386 4.046 5.155 1.00 4.43 C ATOM 1029 O PHE A 64 -1.271 3.864 3.944 1.00 40.21 O ATOM 1030 CB PHE A 64 -0.472 1.890 6.056 1.00 75.14 C ATOM 1031 CG PHE A 64 -0.650 0.670 6.930 1.00 33.11 C ATOM 1032 CD1 PHE A 64 -0.649 0.787 8.313 1.00 42.52 C ATOM 1033 CD2 PHE A 64 -0.824 -0.590 6.369 1.00 11.41 C ATOM 1034 CE1 PHE A 64 -0.817 -0.327 9.117 1.00 42.14 C ATOM 1035 CE2 PHE A 64 -0.991 -1.704 7.171 1.00 15.22 C ATOM 1036 CZ PHE A 64 -0.988 -1.572 8.545 1.00 73.03 C ATOM 0 H PHE A 64 -2.899 1.780 4.807 1.00 32.41 H new ATOM 0 HA PHE A 64 -1.762 3.256 7.117 1.00 64.33 H new ATOM 0 HB2 PHE A 64 -0.322 1.568 5.026 1.00 75.14 H new ATOM 0 HB3 PHE A 64 0.434 2.414 6.361 1.00 75.14 H new ATOM 0 HD1 PHE A 64 -0.516 1.758 8.767 1.00 42.52 H new ATOM 0 HD2 PHE A 64 -0.829 -0.700 5.295 1.00 11.41 H new ATOM 0 HE1 PHE A 64 -0.814 -0.222 10.192 1.00 42.14 H new ATOM 0 HE2 PHE A 64 -1.124 -2.677 6.722 1.00 15.22 H new ATOM 0 HZ PHE A 64 -1.119 -2.442 9.172 1.00 73.03 H new ATOM 1046 N ILE A 65 -1.292 5.249 5.711 1.00 75.40 N ATOM 1047 CA ILE A 65 -1.038 6.451 4.912 1.00 50.44 C ATOM 1048 C ILE A 65 0.457 6.607 4.596 1.00 33.25 C ATOM 1049 O ILE A 65 1.311 6.339 5.441 1.00 33.55 O ATOM 1050 CB ILE A 65 -1.544 7.721 5.641 1.00 64.54 C ATOM 1051 CG1 ILE A 65 -3.049 7.603 5.942 1.00 42.11 C ATOM 1052 CG2 ILE A 65 -1.254 8.970 4.810 1.00 63.31 C ATOM 1053 CD1 ILE A 65 -3.619 8.785 6.704 1.00 23.13 C ATOM 0 H ILE A 65 -1.387 5.422 6.712 1.00 75.40 H new ATOM 0 HA ILE A 65 -1.585 6.334 3.976 1.00 50.44 H new ATOM 0 HB ILE A 65 -1.011 7.812 6.587 1.00 64.54 H new ATOM 0 HG12 ILE A 65 -3.590 7.494 5.002 1.00 42.11 H new ATOM 0 HG13 ILE A 65 -3.224 6.694 6.517 1.00 42.11 H new ATOM 0 HG21 ILE A 65 -1.617 9.851 5.339 1.00 63.31 H new ATOM 0 HG22 ILE A 65 -0.179 9.059 4.650 1.00 63.31 H new ATOM 0 HG23 ILE A 65 -1.759 8.892 3.847 1.00 63.31 H new ATOM 0 HD11 ILE A 65 -4.683 8.627 6.877 1.00 23.13 H new ATOM 0 HD12 ILE A 65 -3.106 8.883 7.661 1.00 23.13 H new ATOM 0 HD13 ILE A 65 -3.478 9.696 6.122 1.00 23.13 H new ATOM 1065 N ILE A 66 0.766 7.033 3.373 1.00 22.11 N ATOM 1066 CA ILE A 66 2.151 7.295 2.971 1.00 52.24 C ATOM 1067 C ILE A 66 2.537 8.757 3.253 1.00 73.12 C ATOM 1068 O ILE A 66 2.023 9.676 2.610 1.00 41.51 O ATOM 1069 CB ILE A 66 2.368 6.999 1.462 1.00 60.51 C ATOM 1070 CG1 ILE A 66 1.947 5.559 1.124 1.00 65.34 C ATOM 1071 CG2 ILE A 66 3.826 7.241 1.074 1.00 3.31 C ATOM 1072 CD1 ILE A 66 2.107 5.197 -0.342 1.00 53.42 C ATOM 0 H ILE A 66 0.077 7.205 2.641 1.00 22.11 H new ATOM 0 HA ILE A 66 2.785 6.631 3.559 1.00 52.24 H new ATOM 0 HB ILE A 66 1.742 7.679 0.885 1.00 60.51 H new ATOM 0 HG12 ILE A 66 2.538 4.868 1.725 1.00 65.34 H new ATOM 0 HG13 ILE A 66 0.905 5.419 1.411 1.00 65.34 H new ATOM 0 HG21 ILE A 66 3.960 7.029 0.013 1.00 3.31 H new ATOM 0 HG22 ILE A 66 4.087 8.280 1.272 1.00 3.31 H new ATOM 0 HG23 ILE A 66 4.472 6.587 1.660 1.00 3.31 H new ATOM 0 HD11 ILE A 66 1.789 4.166 -0.499 1.00 53.42 H new ATOM 0 HD12 ILE A 66 1.494 5.862 -0.950 1.00 53.42 H new ATOM 0 HD13 ILE A 66 3.153 5.302 -0.631 1.00 53.42 H new ATOM 1084 N GLN A 67 3.436 8.973 4.214 1.00 2.30 N ATOM 1085 CA GLN A 67 3.899 10.330 4.537 1.00 34.02 C ATOM 1086 C GLN A 67 5.100 10.723 3.667 1.00 62.13 C ATOM 1087 O GLN A 67 6.055 9.958 3.522 1.00 40.41 O ATOM 1088 CB GLN A 67 4.297 10.464 6.019 1.00 32.22 C ATOM 1089 CG GLN A 67 3.242 9.987 7.015 1.00 53.55 C ATOM 1090 CD GLN A 67 3.218 8.479 7.161 1.00 54.43 C ATOM 1091 OE1 GLN A 67 4.236 7.817 6.989 1.00 2.14 O ATOM 1092 NE2 GLN A 67 2.075 7.922 7.498 1.00 43.44 N ATOM 0 H GLN A 67 3.857 8.236 4.780 1.00 2.30 H new ATOM 0 HA GLN A 67 3.062 10.999 4.335 1.00 34.02 H new ATOM 0 HB2 GLN A 67 5.214 9.900 6.186 1.00 32.22 H new ATOM 0 HB3 GLN A 67 4.524 11.510 6.226 1.00 32.22 H new ATOM 0 HG2 GLN A 67 3.435 10.439 7.988 1.00 53.55 H new ATOM 0 HG3 GLN A 67 2.260 10.333 6.692 1.00 53.55 H new ATOM 0 HE21 GLN A 67 1.246 8.501 7.634 1.00 43.44 H new ATOM 0 HE22 GLN A 67 2.018 6.911 7.624 1.00 43.44 H new ATOM 1101 N TYR A 68 5.043 11.913 3.087 1.00 45.54 N ATOM 1102 CA TYR A 68 6.170 12.455 2.328 1.00 42.40 C ATOM 1103 C TYR A 68 7.147 13.185 3.267 1.00 75.23 C ATOM 1104 O TYR A 68 6.919 14.335 3.643 1.00 21.43 O ATOM 1105 CB TYR A 68 5.650 13.402 1.240 1.00 63.10 C ATOM 1106 CG TYR A 68 6.732 13.972 0.341 1.00 31.55 C ATOM 1107 CD1 TYR A 68 7.413 13.158 -0.556 1.00 63.12 C ATOM 1108 CD2 TYR A 68 7.058 15.322 0.376 1.00 71.25 C ATOM 1109 CE1 TYR A 68 8.386 13.671 -1.390 1.00 3.21 C ATOM 1110 CE2 TYR A 68 8.034 15.841 -0.454 1.00 23.13 C ATOM 1111 CZ TYR A 68 8.694 15.010 -1.334 1.00 72.42 C ATOM 1112 OH TYR A 68 9.661 15.526 -2.170 1.00 72.14 O ATOM 0 H TYR A 68 4.228 12.526 3.125 1.00 45.54 H new ATOM 0 HA TYR A 68 6.709 11.636 1.852 1.00 42.40 H new ATOM 0 HB2 TYR A 68 4.926 12.867 0.625 1.00 63.10 H new ATOM 0 HB3 TYR A 68 5.117 14.226 1.715 1.00 63.10 H new ATOM 0 HD1 TYR A 68 7.177 12.105 -0.601 1.00 63.12 H new ATOM 0 HD2 TYR A 68 6.541 15.976 1.062 1.00 71.25 H new ATOM 0 HE1 TYR A 68 8.903 13.024 -2.083 1.00 3.21 H new ATOM 0 HE2 TYR A 68 8.278 16.892 -0.413 1.00 23.13 H new ATOM 0 HH TYR A 68 9.757 16.487 -2.005 1.00 72.14 H new ATOM 1122 N VAL A 69 8.219 12.500 3.662 1.00 43.32 N ATOM 1123 CA VAL A 69 9.201 13.055 4.611 1.00 74.11 C ATOM 1124 C VAL A 69 10.632 12.895 4.078 1.00 11.24 C ATOM 1125 O VAL A 69 10.976 11.853 3.517 1.00 4.13 O ATOM 1126 CB VAL A 69 9.101 12.366 5.999 1.00 43.05 C ATOM 1127 CG1 VAL A 69 10.058 13.010 7.001 1.00 12.22 C ATOM 1128 CG2 VAL A 69 7.669 12.401 6.525 1.00 55.01 C ATOM 0 H VAL A 69 8.436 11.556 3.342 1.00 43.32 H new ATOM 0 HA VAL A 69 8.970 14.114 4.722 1.00 74.11 H new ATOM 0 HB VAL A 69 9.392 11.323 5.874 1.00 43.05 H new ATOM 0 HG11 VAL A 69 9.968 12.508 7.965 1.00 12.22 H new ATOM 0 HG12 VAL A 69 11.082 12.917 6.638 1.00 12.22 H new ATOM 0 HG13 VAL A 69 9.808 14.065 7.116 1.00 12.22 H new ATOM 0 HG21 VAL A 69 7.627 11.912 7.498 1.00 55.01 H new ATOM 0 HG22 VAL A 69 7.343 13.436 6.625 1.00 55.01 H new ATOM 0 HG23 VAL A 69 7.013 11.880 5.828 1.00 55.01 H new ATOM 1138 N ASP A 70 11.457 13.935 4.250 1.00 1.35 N ATOM 1139 CA ASP A 70 12.855 13.921 3.784 1.00 73.23 C ATOM 1140 C ASP A 70 12.937 13.672 2.265 1.00 24.44 C ATOM 1141 O ASP A 70 13.885 13.049 1.779 1.00 43.34 O ATOM 1142 CB ASP A 70 13.667 12.852 4.533 1.00 23.43 C ATOM 1143 CG ASP A 70 13.645 13.034 6.041 1.00 73.22 C ATOM 1144 OD1 ASP A 70 13.828 14.174 6.514 1.00 21.01 O ATOM 1145 OD2 ASP A 70 13.471 12.028 6.762 1.00 45.35 O ATOM 0 H ASP A 70 11.182 14.802 4.711 1.00 1.35 H new ATOM 0 HA ASP A 70 13.280 14.902 3.995 1.00 73.23 H new ATOM 0 HB2 ASP A 70 13.273 11.866 4.286 1.00 23.43 H new ATOM 0 HB3 ASP A 70 14.700 12.879 4.185 1.00 23.43 H new ATOM 1150 N ASN A 71 11.945 14.176 1.529 1.00 42.45 N ATOM 1151 CA ASN A 71 11.856 13.982 0.071 1.00 51.14 C ATOM 1152 C ASN A 71 11.624 12.500 -0.290 1.00 13.43 C ATOM 1153 O ASN A 71 11.836 12.088 -1.434 1.00 71.24 O ATOM 1154 CB ASN A 71 13.119 14.506 -0.631 1.00 41.24 C ATOM 1155 CG ASN A 71 13.351 15.987 -0.386 1.00 3.23 C ATOM 1156 OD1 ASN A 71 12.891 16.837 -1.142 1.00 3.53 O ATOM 1157 ND2 ASN A 71 14.076 16.311 0.666 1.00 13.04 N ATOM 0 H ASN A 71 11.181 14.728 1.919 1.00 42.45 H new ATOM 0 HA ASN A 71 10.997 14.555 -0.280 1.00 51.14 H new ATOM 0 HB2 ASN A 71 13.985 13.944 -0.281 1.00 41.24 H new ATOM 0 HB3 ASN A 71 13.035 14.328 -1.703 1.00 41.24 H new ATOM 0 HD21 ASN A 71 14.268 17.292 0.870 1.00 13.04 H new ATOM 0 HD22 ASN A 71 14.445 15.581 1.276 1.00 13.04 H new ATOM 1164 N MET A 72 11.176 11.710 0.685 1.00 64.02 N ATOM 1165 CA MET A 72 10.921 10.280 0.480 1.00 52.04 C ATOM 1166 C MET A 72 9.493 9.897 0.896 1.00 11.52 C ATOM 1167 O MET A 72 8.876 10.556 1.734 1.00 22.45 O ATOM 1168 CB MET A 72 11.924 9.442 1.283 1.00 54.22 C ATOM 1169 CG MET A 72 13.383 9.726 0.948 1.00 20.41 C ATOM 1170 SD MET A 72 14.523 8.715 1.915 1.00 2.11 S ATOM 1171 CE MET A 72 14.073 9.195 3.585 1.00 60.20 C ATOM 0 H MET A 72 10.980 12.036 1.631 1.00 64.02 H new ATOM 0 HA MET A 72 11.037 10.076 -0.584 1.00 52.04 H new ATOM 0 HB2 MET A 72 11.765 9.624 2.346 1.00 54.22 H new ATOM 0 HB3 MET A 72 11.721 8.386 1.107 1.00 54.22 H new ATOM 0 HG2 MET A 72 13.551 9.543 -0.113 1.00 20.41 H new ATOM 0 HG3 MET A 72 13.595 10.780 1.127 1.00 20.41 H new ATOM 0 HE1 MET A 72 14.944 9.611 4.091 1.00 60.20 H new ATOM 0 HE2 MET A 72 13.283 9.945 3.548 1.00 60.20 H new ATOM 0 HE3 MET A 72 13.718 8.321 4.132 1.00 60.20 H new ATOM 1181 N TYR A 73 8.977 8.830 0.300 1.00 33.05 N ATOM 1182 CA TYR A 73 7.658 8.296 0.651 1.00 24.11 C ATOM 1183 C TYR A 73 7.794 7.123 1.638 1.00 1.43 C ATOM 1184 O TYR A 73 8.499 6.149 1.366 1.00 4.13 O ATOM 1185 CB TYR A 73 6.916 7.847 -0.617 1.00 11.14 C ATOM 1186 CG TYR A 73 6.670 8.979 -1.601 1.00 12.15 C ATOM 1187 CD1 TYR A 73 5.609 9.861 -1.423 1.00 13.44 C ATOM 1188 CD2 TYR A 73 7.507 9.174 -2.694 1.00 2.32 C ATOM 1189 CE1 TYR A 73 5.389 10.899 -2.307 1.00 52.11 C ATOM 1190 CE2 TYR A 73 7.293 10.212 -3.580 1.00 42.40 C ATOM 1191 CZ TYR A 73 6.234 11.072 -3.382 1.00 52.40 C ATOM 1192 OH TYR A 73 6.020 12.111 -4.264 1.00 60.10 O ATOM 0 H TYR A 73 9.454 8.310 -0.436 1.00 33.05 H new ATOM 0 HA TYR A 73 7.081 9.084 1.135 1.00 24.11 H new ATOM 0 HB2 TYR A 73 7.494 7.065 -1.110 1.00 11.14 H new ATOM 0 HB3 TYR A 73 5.960 7.407 -0.334 1.00 11.14 H new ATOM 0 HD1 TYR A 73 4.947 9.732 -0.580 1.00 13.44 H new ATOM 0 HD2 TYR A 73 8.338 8.503 -2.853 1.00 2.32 H new ATOM 0 HE1 TYR A 73 4.558 11.572 -2.157 1.00 52.11 H new ATOM 0 HE2 TYR A 73 7.953 10.349 -4.424 1.00 42.40 H new ATOM 0 HH TYR A 73 6.705 12.092 -4.964 1.00 60.10 H new ATOM 1202 N ARG A 74 7.110 7.221 2.777 1.00 65.25 N ATOM 1203 CA ARG A 74 7.253 6.237 3.863 1.00 2.20 C ATOM 1204 C ARG A 74 5.923 5.963 4.587 1.00 35.52 C ATOM 1205 O ARG A 74 4.940 6.673 4.392 1.00 70.23 O ATOM 1206 CB ARG A 74 8.295 6.741 4.876 1.00 44.15 C ATOM 1207 CG ARG A 74 8.186 8.240 5.173 1.00 33.32 C ATOM 1208 CD ARG A 74 8.275 8.543 6.660 1.00 75.41 C ATOM 1209 NE ARG A 74 7.098 8.068 7.386 1.00 32.11 N ATOM 1210 CZ ARG A 74 7.029 7.974 8.683 1.00 33.22 C ATOM 1211 NH1 ARG A 74 8.048 8.288 9.421 1.00 21.13 N ATOM 1212 NH2 ARG A 74 5.940 7.561 9.241 1.00 34.32 N ATOM 0 H ARG A 74 6.449 7.971 2.977 1.00 65.25 H new ATOM 0 HA ARG A 74 7.579 5.299 3.414 1.00 2.20 H new ATOM 0 HB2 ARG A 74 8.183 6.185 5.807 1.00 44.15 H new ATOM 0 HB3 ARG A 74 9.293 6.526 4.495 1.00 44.15 H new ATOM 0 HG2 ARG A 74 8.981 8.770 4.648 1.00 33.32 H new ATOM 0 HG3 ARG A 74 7.240 8.617 4.784 1.00 33.32 H new ATOM 0 HD2 ARG A 74 9.169 8.075 7.073 1.00 75.41 H new ATOM 0 HD3 ARG A 74 8.382 9.618 6.805 1.00 75.41 H new ATOM 0 HE ARG A 74 6.280 7.793 6.843 1.00 32.11 H new ATOM 0 HH11 ARG A 74 8.912 8.612 8.986 1.00 21.13 H new ATOM 0 HH12 ARG A 74 7.985 8.211 10.436 1.00 21.13 H new ATOM 0 HH21 ARG A 74 5.136 7.309 8.666 1.00 34.32 H new ATOM 0 HH22 ARG A 74 5.884 7.487 10.257 1.00 34.32 H new ATOM 1226 N PHE A 75 5.915 4.929 5.436 1.00 71.50 N ATOM 1227 CA PHE A 75 4.724 4.566 6.227 1.00 44.34 C ATOM 1228 C PHE A 75 4.939 4.815 7.730 1.00 62.21 C ATOM 1229 O PHE A 75 4.190 5.558 8.369 1.00 12.51 O ATOM 1230 CB PHE A 75 4.364 3.090 6.009 1.00 33.34 C ATOM 1231 CG PHE A 75 3.854 2.773 4.626 1.00 75.14 C ATOM 1232 CD1 PHE A 75 2.531 3.021 4.290 1.00 54.13 C ATOM 1233 CD2 PHE A 75 4.690 2.213 3.669 1.00 53.43 C ATOM 1234 CE1 PHE A 75 2.052 2.719 3.030 1.00 40.01 C ATOM 1235 CE2 PHE A 75 4.213 1.912 2.405 1.00 40.43 C ATOM 1236 CZ PHE A 75 2.894 2.165 2.087 1.00 20.41 C ATOM 0 H PHE A 75 6.721 4.324 5.596 1.00 71.50 H new ATOM 0 HA PHE A 75 3.907 5.201 5.885 1.00 44.34 H new ATOM 0 HB2 PHE A 75 5.245 2.480 6.207 1.00 33.34 H new ATOM 0 HB3 PHE A 75 3.607 2.801 6.738 1.00 33.34 H new ATOM 0 HD1 PHE A 75 1.867 3.456 5.023 1.00 54.13 H new ATOM 0 HD2 PHE A 75 5.722 2.010 3.913 1.00 53.43 H new ATOM 0 HE1 PHE A 75 1.019 2.916 2.783 1.00 40.01 H new ATOM 0 HE2 PHE A 75 4.873 1.479 1.668 1.00 40.43 H new ATOM 0 HZ PHE A 75 2.521 1.930 1.101 1.00 20.41 H new ATOM 1246 N GLU A 76 5.960 4.174 8.298 1.00 44.51 N ATOM 1247 CA GLU A 76 6.238 4.279 9.738 1.00 54.44 C ATOM 1248 C GLU A 76 7.679 4.745 10.004 1.00 71.52 C ATOM 1249 O GLU A 76 7.911 5.657 10.799 1.00 53.00 O ATOM 1250 CB GLU A 76 5.987 2.925 10.422 1.00 34.33 C ATOM 1251 CG GLU A 76 6.167 2.942 11.942 1.00 34.23 C ATOM 1252 CD GLU A 76 5.221 3.907 12.645 1.00 0.24 C ATOM 1253 OE1 GLU A 76 4.008 3.627 12.694 1.00 0.24 O ATOM 1254 OE2 GLU A 76 5.688 4.953 13.152 1.00 11.14 O ATOM 0 H GLU A 76 6.610 3.576 7.787 1.00 44.51 H new ATOM 0 HA GLU A 76 5.564 5.027 10.155 1.00 54.44 H new ATOM 0 HB2 GLU A 76 4.973 2.598 10.192 1.00 34.33 H new ATOM 0 HB3 GLU A 76 6.665 2.185 9.996 1.00 34.33 H new ATOM 0 HG2 GLU A 76 6.007 1.937 12.332 1.00 34.23 H new ATOM 0 HG3 GLU A 76 7.196 3.215 12.177 1.00 34.23 H new ATOM 1261 N GLY A 77 8.641 4.117 9.336 1.00 45.24 N ATOM 1262 CA GLY A 77 10.043 4.482 9.517 1.00 15.23 C ATOM 1263 C GLY A 77 10.662 5.106 8.266 1.00 40.34 C ATOM 1264 O GLY A 77 10.355 6.246 7.916 1.00 11.04 O ATOM 0 H GLY A 77 8.479 3.361 8.671 1.00 45.24 H new ATOM 0 HA2 GLY A 77 10.126 5.184 10.346 1.00 15.23 H new ATOM 0 HA3 GLY A 77 10.612 3.594 9.793 1.00 15.23 H new ATOM 1268 N THR A 78 11.530 4.354 7.593 1.00 12.35 N ATOM 1269 CA THR A 78 12.187 4.826 6.362 1.00 35.04 C ATOM 1270 C THR A 78 11.314 4.591 5.118 1.00 75.35 C ATOM 1271 O THR A 78 10.252 3.964 5.193 1.00 45.54 O ATOM 1272 CB THR A 78 13.562 4.134 6.160 1.00 62.42 C ATOM 1273 OG1 THR A 78 14.198 4.613 4.962 1.00 75.22 O ATOM 1274 CG2 THR A 78 13.409 2.617 6.084 1.00 22.34 C ATOM 0 H THR A 78 11.800 3.412 7.875 1.00 12.35 H new ATOM 0 HA THR A 78 12.336 5.899 6.483 1.00 35.04 H new ATOM 0 HB THR A 78 14.184 4.380 7.021 1.00 62.42 H new ATOM 0 HG1 THR A 78 15.064 4.168 4.851 1.00 75.22 H new ATOM 0 HG21 THR A 78 14.388 2.159 5.942 1.00 22.34 H new ATOM 0 HG22 THR A 78 12.967 2.249 7.010 1.00 22.34 H new ATOM 0 HG23 THR A 78 12.763 2.358 5.245 1.00 22.34 H new ATOM 1282 N GLY A 79 11.767 5.096 3.970 1.00 24.21 N ATOM 1283 CA GLY A 79 11.010 4.954 2.732 1.00 70.20 C ATOM 1284 C GLY A 79 11.860 5.142 1.475 1.00 2.24 C ATOM 1285 O GLY A 79 13.090 5.205 1.548 1.00 31.43 O ATOM 0 H GLY A 79 12.647 5.602 3.874 1.00 24.21 H new ATOM 0 HA2 GLY A 79 10.551 3.966 2.707 1.00 70.20 H new ATOM 0 HA3 GLY A 79 10.199 5.682 2.725 1.00 70.20 H new ATOM 1289 N PHE A 80 11.197 5.242 0.323 1.00 43.03 N ATOM 1290 CA PHE A 80 11.882 5.377 -0.974 1.00 43.51 C ATOM 1291 C PHE A 80 11.465 6.660 -1.704 1.00 55.32 C ATOM 1292 O PHE A 80 10.381 7.191 -1.476 1.00 15.44 O ATOM 1293 CB PHE A 80 11.593 4.150 -1.857 1.00 5.03 C ATOM 1294 CG PHE A 80 12.313 2.899 -1.411 1.00 24.22 C ATOM 1295 CD1 PHE A 80 11.853 2.154 -0.333 1.00 72.31 C ATOM 1296 CD2 PHE A 80 13.455 2.472 -2.071 1.00 10.20 C ATOM 1297 CE1 PHE A 80 12.519 1.013 0.075 1.00 3.20 C ATOM 1298 CE2 PHE A 80 14.125 1.334 -1.669 1.00 24.11 C ATOM 1299 CZ PHE A 80 13.657 0.604 -0.595 1.00 24.51 C ATOM 0 H PHE A 80 10.179 5.232 0.256 1.00 43.03 H new ATOM 0 HA PHE A 80 12.953 5.438 -0.778 1.00 43.51 H new ATOM 0 HB2 PHE A 80 10.520 3.960 -1.860 1.00 5.03 H new ATOM 0 HB3 PHE A 80 11.879 4.377 -2.884 1.00 5.03 H new ATOM 0 HD1 PHE A 80 10.964 2.470 0.193 1.00 72.31 H new ATOM 0 HD2 PHE A 80 13.826 3.038 -2.912 1.00 10.20 H new ATOM 0 HE1 PHE A 80 12.151 0.443 0.915 1.00 3.20 H new ATOM 0 HE2 PHE A 80 15.014 1.015 -2.194 1.00 24.11 H new ATOM 0 HZ PHE A 80 14.180 -0.286 -0.278 1.00 24.51 H new ATOM 1309 N SER A 81 12.335 7.149 -2.590 1.00 22.31 N ATOM 1310 CA SER A 81 12.074 8.392 -3.339 1.00 43.23 C ATOM 1311 C SER A 81 10.824 8.290 -4.226 1.00 73.32 C ATOM 1312 O SER A 81 10.207 9.300 -4.556 1.00 64.30 O ATOM 1313 CB SER A 81 13.282 8.762 -4.211 1.00 21.03 C ATOM 1314 OG SER A 81 14.451 8.947 -3.427 1.00 71.10 O ATOM 0 H SER A 81 13.228 6.707 -2.810 1.00 22.31 H new ATOM 0 HA SER A 81 11.899 9.171 -2.596 1.00 43.23 H new ATOM 0 HB2 SER A 81 13.456 7.976 -4.946 1.00 21.03 H new ATOM 0 HB3 SER A 81 13.066 9.675 -4.766 1.00 21.03 H new ATOM 0 HG SER A 81 15.203 9.180 -4.011 1.00 71.10 H new ATOM 1320 N ASN A 82 10.460 7.070 -4.624 1.00 44.01 N ATOM 1321 CA ASN A 82 9.275 6.859 -5.469 1.00 64.44 C ATOM 1322 C ASN A 82 8.319 5.820 -4.866 1.00 20.03 C ATOM 1323 O ASN A 82 8.749 4.820 -4.288 1.00 74.20 O ATOM 1324 CB ASN A 82 9.681 6.435 -6.887 1.00 54.11 C ATOM 1325 CG ASN A 82 10.382 7.550 -7.641 1.00 5.24 C ATOM 1326 OD1 ASN A 82 9.740 8.391 -8.263 1.00 33.44 O ATOM 1327 ND2 ASN A 82 11.700 7.558 -7.609 1.00 23.14 N ATOM 0 H ASN A 82 10.962 6.216 -4.379 1.00 44.01 H new ATOM 0 HA ASN A 82 8.748 7.812 -5.520 1.00 64.44 H new ATOM 0 HB2 ASN A 82 10.339 5.568 -6.831 1.00 54.11 H new ATOM 0 HB3 ASN A 82 8.794 6.127 -7.440 1.00 54.11 H new ATOM 0 HD21 ASN A 82 12.218 8.279 -8.112 1.00 23.14 H new ATOM 0 HD22 ASN A 82 12.202 6.843 -7.082 1.00 23.14 H new ATOM 1334 N ILE A 83 7.020 6.064 -5.036 1.00 4.04 N ATOM 1335 CA ILE A 83 5.975 5.183 -4.499 1.00 23.02 C ATOM 1336 C ILE A 83 6.049 3.754 -5.086 1.00 11.54 C ATOM 1337 O ILE A 83 6.009 2.779 -4.332 1.00 33.14 O ATOM 1338 CB ILE A 83 4.564 5.779 -4.744 1.00 74.11 C ATOM 1339 CG1 ILE A 83 4.466 7.178 -4.109 1.00 42.20 C ATOM 1340 CG2 ILE A 83 3.475 4.853 -4.198 1.00 43.21 C ATOM 1341 CD1 ILE A 83 3.150 7.877 -4.363 1.00 44.22 C ATOM 0 H ILE A 83 6.661 6.871 -5.546 1.00 4.04 H new ATOM 0 HA ILE A 83 6.153 5.111 -3.426 1.00 23.02 H new ATOM 0 HB ILE A 83 4.408 5.872 -5.819 1.00 74.11 H new ATOM 0 HG12 ILE A 83 4.617 7.089 -3.033 1.00 42.20 H new ATOM 0 HG13 ILE A 83 5.275 7.798 -4.494 1.00 42.20 H new ATOM 0 HG21 ILE A 83 2.496 5.294 -4.383 1.00 43.21 H new ATOM 0 HG22 ILE A 83 3.537 3.885 -4.696 1.00 43.21 H new ATOM 0 HG23 ILE A 83 3.616 4.719 -3.126 1.00 43.21 H new ATOM 0 HD11 ILE A 83 3.159 8.856 -3.884 1.00 44.22 H new ATOM 0 HD12 ILE A 83 3.005 8.000 -5.436 1.00 44.22 H new ATOM 0 HD13 ILE A 83 2.336 7.280 -3.953 1.00 44.22 H new ATOM 1353 N PRO A 84 6.153 3.593 -6.436 1.00 71.05 N ATOM 1354 CA PRO A 84 6.293 2.262 -7.055 1.00 14.25 C ATOM 1355 C PRO A 84 7.472 1.466 -6.469 1.00 31.44 C ATOM 1356 O PRO A 84 7.352 0.274 -6.204 1.00 4.45 O ATOM 1357 CB PRO A 84 6.521 2.568 -8.551 1.00 3.04 C ATOM 1358 CG PRO A 84 6.857 4.024 -8.609 1.00 31.43 C ATOM 1359 CD PRO A 84 6.129 4.657 -7.458 1.00 41.13 C ATOM 0 HA PRO A 84 5.417 1.638 -6.875 1.00 14.25 H new ATOM 0 HB2 PRO A 84 7.330 1.961 -8.958 1.00 3.04 H new ATOM 0 HB3 PRO A 84 5.630 2.346 -9.138 1.00 3.04 H new ATOM 0 HG2 PRO A 84 7.932 4.181 -8.526 1.00 31.43 H new ATOM 0 HG3 PRO A 84 6.544 4.460 -9.558 1.00 31.43 H new ATOM 0 HD2 PRO A 84 6.628 5.562 -7.112 1.00 41.13 H new ATOM 0 HD3 PRO A 84 5.111 4.937 -7.727 1.00 41.13 H new ATOM 1367 N GLN A 85 8.598 2.145 -6.254 1.00 31.43 N ATOM 1368 CA GLN A 85 9.791 1.512 -5.676 1.00 11.22 C ATOM 1369 C GLN A 85 9.560 1.129 -4.204 1.00 72.43 C ATOM 1370 O GLN A 85 9.982 0.067 -3.752 1.00 33.52 O ATOM 1371 CB GLN A 85 10.997 2.457 -5.803 1.00 32.32 C ATOM 1372 CG GLN A 85 11.336 2.844 -7.247 1.00 54.00 C ATOM 1373 CD GLN A 85 12.199 1.826 -7.996 1.00 44.23 C ATOM 1374 OE1 GLN A 85 12.154 0.563 -7.611 1.00 24.53 O flip ATOM 1375 NE2 GLN A 85 12.927 2.185 -8.918 1.00 0.54 N flip ATOM 0 H GLN A 85 8.713 3.135 -6.471 1.00 31.43 H new ATOM 0 HA GLN A 85 9.996 0.595 -6.229 1.00 11.22 H new ATOM 0 HB2 GLN A 85 10.797 3.364 -5.232 1.00 32.32 H new ATOM 0 HB3 GLN A 85 11.867 1.981 -5.351 1.00 32.32 H new ATOM 0 HG2 GLN A 85 10.407 2.987 -7.798 1.00 54.00 H new ATOM 0 HG3 GLN A 85 11.854 3.803 -7.240 1.00 54.00 H new ATOM 0 HE21 GLN A 85 12.947 3.165 -9.200 1.00 0.54 H new ATOM 0 HE22 GLN A 85 13.511 1.503 -9.402 1.00 0.54 H new ATOM 1384 N LEU A 86 8.889 2.008 -3.463 1.00 20.22 N ATOM 1385 CA LEU A 86 8.527 1.743 -2.063 1.00 43.30 C ATOM 1386 C LEU A 86 7.717 0.436 -1.927 1.00 31.32 C ATOM 1387 O LEU A 86 8.109 -0.489 -1.198 1.00 44.53 O ATOM 1388 CB LEU A 86 7.714 2.926 -1.513 1.00 33.42 C ATOM 1389 CG LEU A 86 7.248 2.800 -0.052 1.00 53.43 C ATOM 1390 CD1 LEU A 86 8.439 2.774 0.905 1.00 52.35 C ATOM 1391 CD2 LEU A 86 6.291 3.936 0.303 1.00 14.22 C ATOM 0 H LEU A 86 8.581 2.917 -3.807 1.00 20.22 H new ATOM 0 HA LEU A 86 9.445 1.626 -1.487 1.00 43.30 H new ATOM 0 HB2 LEU A 86 8.316 3.830 -1.605 1.00 33.42 H new ATOM 0 HB3 LEU A 86 6.836 3.063 -2.144 1.00 33.42 H new ATOM 0 HG LEU A 86 6.716 1.855 0.054 1.00 53.43 H new ATOM 0 HD11 LEU A 86 8.080 2.684 1.930 1.00 52.35 H new ATOM 0 HD12 LEU A 86 9.077 1.923 0.668 1.00 52.35 H new ATOM 0 HD13 LEU A 86 9.010 3.696 0.800 1.00 52.35 H new ATOM 0 HD21 LEU A 86 5.971 3.832 1.340 1.00 14.22 H new ATOM 0 HD22 LEU A 86 6.798 4.892 0.174 1.00 14.22 H new ATOM 0 HD23 LEU A 86 5.420 3.896 -0.351 1.00 14.22 H new ATOM 1403 N ILE A 87 6.591 0.366 -2.635 1.00 45.52 N ATOM 1404 CA ILE A 87 5.704 -0.802 -2.581 1.00 3.01 C ATOM 1405 C ILE A 87 6.379 -2.057 -3.161 1.00 1.43 C ATOM 1406 O ILE A 87 6.415 -3.108 -2.511 1.00 11.51 O ATOM 1407 CB ILE A 87 4.382 -0.527 -3.343 1.00 72.03 C ATOM 1408 CG1 ILE A 87 3.682 0.721 -2.772 1.00 2.31 C ATOM 1409 CG2 ILE A 87 3.453 -1.744 -3.286 1.00 0.41 C ATOM 1410 CD1 ILE A 87 3.316 0.606 -1.304 1.00 43.03 C ATOM 0 H ILE A 87 6.267 1.107 -3.257 1.00 45.52 H new ATOM 0 HA ILE A 87 5.483 -0.985 -1.529 1.00 3.01 H new ATOM 0 HB ILE A 87 4.624 -0.339 -4.389 1.00 72.03 H new ATOM 0 HG12 ILE A 87 4.334 1.584 -2.907 1.00 2.31 H new ATOM 0 HG13 ILE A 87 2.776 0.912 -3.348 1.00 2.31 H new ATOM 0 HG21 ILE A 87 2.533 -1.525 -3.828 1.00 0.41 H new ATOM 0 HG22 ILE A 87 3.948 -2.601 -3.743 1.00 0.41 H new ATOM 0 HG23 ILE A 87 3.216 -1.973 -2.247 1.00 0.41 H new ATOM 0 HD11 ILE A 87 2.828 1.524 -0.978 1.00 43.03 H new ATOM 0 HD12 ILE A 87 2.638 -0.236 -1.163 1.00 43.03 H new ATOM 0 HD13 ILE A 87 4.219 0.447 -0.715 1.00 43.03 H new ATOM 1422 N ASP A 88 6.933 -1.935 -4.370 1.00 51.04 N ATOM 1423 CA ASP A 88 7.602 -3.057 -5.037 1.00 34.12 C ATOM 1424 C ASP A 88 8.709 -3.663 -4.157 1.00 54.44 C ATOM 1425 O ASP A 88 8.765 -4.878 -3.974 1.00 51.04 O ATOM 1426 CB ASP A 88 8.185 -2.595 -6.379 1.00 44.12 C ATOM 1427 CG ASP A 88 8.876 -3.715 -7.140 1.00 74.45 C ATOM 1428 OD1 ASP A 88 8.192 -4.442 -7.890 1.00 20.14 O ATOM 1429 OD2 ASP A 88 10.110 -3.863 -6.999 1.00 43.13 O ATOM 0 H ASP A 88 6.932 -1.069 -4.909 1.00 51.04 H new ATOM 0 HA ASP A 88 6.858 -3.834 -5.213 1.00 34.12 H new ATOM 0 HB2 ASP A 88 7.385 -2.184 -6.995 1.00 44.12 H new ATOM 0 HB3 ASP A 88 8.897 -1.789 -6.202 1.00 44.12 H new ATOM 1434 N HIS A 89 9.572 -2.810 -3.601 1.00 23.52 N ATOM 1435 CA HIS A 89 10.682 -3.280 -2.764 1.00 53.32 C ATOM 1436 C HIS A 89 10.180 -4.095 -1.561 1.00 74.30 C ATOM 1437 O HIS A 89 10.772 -5.113 -1.205 1.00 32.13 O ATOM 1438 CB HIS A 89 11.537 -2.105 -2.276 1.00 54.01 C ATOM 1439 CG HIS A 89 12.846 -2.529 -1.681 1.00 62.40 C ATOM 1440 ND1 HIS A 89 13.029 -2.778 -0.335 1.00 64.25 N ATOM 1441 CD2 HIS A 89 14.047 -2.750 -2.265 1.00 34.42 C ATOM 1442 CE1 HIS A 89 14.282 -3.127 -0.121 1.00 42.45 C ATOM 1443 NE2 HIS A 89 14.918 -3.119 -1.272 1.00 54.41 N ATOM 0 H HIS A 89 9.526 -1.797 -3.713 1.00 23.52 H new ATOM 0 HA HIS A 89 11.297 -3.932 -3.385 1.00 53.32 H new ATOM 0 HB2 HIS A 89 11.727 -1.432 -3.112 1.00 54.01 H new ATOM 0 HB3 HIS A 89 10.975 -1.540 -1.533 1.00 54.01 H new ATOM 0 HD2 HIS A 89 14.276 -2.654 -3.316 1.00 34.42 H new ATOM 0 HE1 HIS A 89 14.713 -3.377 0.837 1.00 42.45 H new ATOM 0 HE2 HIS A 89 15.902 -3.350 -1.405 1.00 54.41 H new ATOM 1452 N HIS A 90 9.097 -3.643 -0.925 1.00 24.22 N ATOM 1453 CA HIS A 90 8.510 -4.395 0.196 1.00 74.22 C ATOM 1454 C HIS A 90 7.947 -5.751 -0.260 1.00 43.51 C ATOM 1455 O HIS A 90 8.094 -6.755 0.439 1.00 70.13 O ATOM 1456 CB HIS A 90 7.425 -3.572 0.902 1.00 11.00 C ATOM 1457 CG HIS A 90 7.981 -2.511 1.802 1.00 32.03 C ATOM 1458 ND1 HIS A 90 8.047 -1.183 1.451 1.00 33.21 N ATOM 1459 CD2 HIS A 90 8.507 -2.591 3.050 1.00 44.40 C ATOM 1460 CE1 HIS A 90 8.591 -0.497 2.433 1.00 34.24 C ATOM 1461 NE2 HIS A 90 8.883 -1.322 3.416 1.00 5.42 N ATOM 0 H HIS A 90 8.613 -2.776 -1.158 1.00 24.22 H new ATOM 0 HA HIS A 90 9.312 -4.592 0.907 1.00 74.22 H new ATOM 0 HB2 HIS A 90 6.787 -3.105 0.152 1.00 11.00 H new ATOM 0 HB3 HIS A 90 6.793 -4.241 1.487 1.00 11.00 H new ATOM 0 HD1 HIS A 90 7.724 -0.791 0.567 1.00 33.21 H new ATOM 0 HD2 HIS A 90 8.611 -3.486 3.645 1.00 44.40 H new ATOM 0 HE1 HIS A 90 8.769 0.568 2.433 1.00 34.24 H new ATOM 1470 N TYR A 91 7.324 -5.782 -1.436 1.00 53.04 N ATOM 1471 CA TYR A 91 6.777 -7.028 -1.993 1.00 42.32 C ATOM 1472 C TYR A 91 7.901 -8.028 -2.330 1.00 4.01 C ATOM 1473 O TYR A 91 7.831 -9.206 -1.966 1.00 13.11 O ATOM 1474 CB TYR A 91 5.943 -6.722 -3.248 1.00 43.43 C ATOM 1475 CG TYR A 91 5.246 -7.937 -3.844 1.00 62.32 C ATOM 1476 CD1 TYR A 91 5.912 -8.792 -4.719 1.00 14.35 C ATOM 1477 CD2 TYR A 91 3.922 -8.230 -3.526 1.00 1.33 C ATOM 1478 CE1 TYR A 91 5.281 -9.896 -5.259 1.00 31.14 C ATOM 1479 CE2 TYR A 91 3.286 -9.334 -4.062 1.00 12.13 C ATOM 1480 CZ TYR A 91 3.969 -10.163 -4.928 1.00 35.32 C ATOM 1481 OH TYR A 91 3.340 -11.271 -5.455 1.00 15.12 O ATOM 0 H TYR A 91 7.183 -4.962 -2.025 1.00 53.04 H new ATOM 0 HA TYR A 91 6.135 -7.485 -1.240 1.00 42.32 H new ATOM 0 HB2 TYR A 91 5.192 -5.972 -2.998 1.00 43.43 H new ATOM 0 HB3 TYR A 91 6.593 -6.282 -4.004 1.00 43.43 H new ATOM 0 HD1 TYR A 91 6.940 -8.588 -4.980 1.00 14.35 H new ATOM 0 HD2 TYR A 91 3.383 -7.584 -2.849 1.00 1.33 H new ATOM 0 HE1 TYR A 91 5.813 -10.547 -5.937 1.00 31.14 H new ATOM 0 HE2 TYR A 91 2.259 -9.547 -3.804 1.00 12.13 H new ATOM 0 HH TYR A 91 2.420 -11.315 -5.121 1.00 15.12 H new ATOM 1491 N THR A 92 8.934 -7.545 -3.021 1.00 1.23 N ATOM 1492 CA THR A 92 10.069 -8.389 -3.430 1.00 41.54 C ATOM 1493 C THR A 92 10.825 -8.955 -2.221 1.00 51.41 C ATOM 1494 O THR A 92 11.073 -10.160 -2.140 1.00 2.42 O ATOM 1495 CB THR A 92 11.068 -7.610 -4.315 1.00 3.53 C ATOM 1496 OG1 THR A 92 11.582 -6.475 -3.600 1.00 22.35 O ATOM 1497 CG2 THR A 92 10.405 -7.147 -5.608 1.00 20.14 C ATOM 0 H THR A 92 9.013 -6.571 -3.312 1.00 1.23 H new ATOM 0 HA THR A 92 9.641 -9.212 -4.003 1.00 41.54 H new ATOM 0 HB THR A 92 11.890 -8.280 -4.568 1.00 3.53 H new ATOM 0 HG1 THR A 92 12.215 -5.989 -4.169 1.00 22.35 H new ATOM 0 HG21 THR A 92 11.129 -6.601 -6.213 1.00 20.14 H new ATOM 0 HG22 THR A 92 10.047 -8.014 -6.164 1.00 20.14 H new ATOM 0 HG23 THR A 92 9.564 -6.495 -5.372 1.00 20.14 H new ATOM 1505 N THR A 93 11.206 -8.082 -1.290 1.00 54.50 N ATOM 1506 CA THR A 93 11.869 -8.514 -0.046 1.00 23.14 C ATOM 1507 C THR A 93 10.896 -9.245 0.889 1.00 10.24 C ATOM 1508 O THR A 93 11.317 -9.905 1.842 1.00 42.02 O ATOM 1509 CB THR A 93 12.490 -7.322 0.724 1.00 55.20 C ATOM 1510 OG1 THR A 93 11.466 -6.392 1.120 1.00 12.21 O ATOM 1511 CG2 THR A 93 13.534 -6.604 -0.128 1.00 25.02 C ATOM 0 H THR A 93 11.071 -7.074 -1.366 1.00 54.50 H new ATOM 0 HA THR A 93 12.663 -9.196 -0.351 1.00 23.14 H new ATOM 0 HB THR A 93 12.979 -7.718 1.614 1.00 55.20 H new ATOM 0 HG1 THR A 93 11.050 -6.004 0.322 1.00 12.21 H new ATOM 0 HG21 THR A 93 13.954 -5.771 0.436 1.00 25.02 H new ATOM 0 HG22 THR A 93 14.329 -7.301 -0.393 1.00 25.02 H new ATOM 0 HG23 THR A 93 13.065 -6.226 -1.037 1.00 25.02 H new ATOM 1519 N LYS A 94 9.596 -9.107 0.610 1.00 30.31 N ATOM 1520 CA LYS A 94 8.532 -9.729 1.409 1.00 12.25 C ATOM 1521 C LYS A 94 8.548 -9.199 2.854 1.00 34.14 C ATOM 1522 O LYS A 94 8.105 -9.870 3.792 1.00 51.13 O ATOM 1523 CB LYS A 94 8.667 -11.264 1.387 1.00 40.43 C ATOM 1524 CG LYS A 94 7.329 -11.999 1.403 1.00 11.35 C ATOM 1525 CD LYS A 94 6.497 -11.649 0.170 1.00 54.54 C ATOM 1526 CE LYS A 94 5.192 -12.430 0.110 1.00 70.13 C ATOM 1527 NZ LYS A 94 4.434 -12.121 -1.132 1.00 1.55 N ATOM 0 H LYS A 94 9.250 -8.560 -0.178 1.00 30.31 H new ATOM 0 HA LYS A 94 7.573 -9.463 0.965 1.00 12.25 H new ATOM 0 HB2 LYS A 94 9.222 -11.558 0.496 1.00 40.43 H new ATOM 0 HB3 LYS A 94 9.255 -11.580 2.248 1.00 40.43 H new ATOM 0 HG2 LYS A 94 7.501 -13.075 1.436 1.00 11.35 H new ATOM 0 HG3 LYS A 94 6.777 -11.737 2.305 1.00 11.35 H new ATOM 0 HD2 LYS A 94 6.278 -10.581 0.174 1.00 54.54 H new ATOM 0 HD3 LYS A 94 7.080 -11.852 -0.728 1.00 54.54 H new ATOM 0 HE2 LYS A 94 5.403 -13.499 0.154 1.00 70.13 H new ATOM 0 HE3 LYS A 94 4.582 -12.190 0.980 1.00 70.13 H new ATOM 0 HZ1 LYS A 94 3.661 -12.807 -1.246 1.00 1.55 H new ATOM 0 HZ2 LYS A 94 4.039 -11.161 -1.068 1.00 1.55 H new ATOM 0 HZ3 LYS A 94 5.072 -12.179 -1.951 1.00 1.55 H new ATOM 1541 N GLN A 95 9.041 -7.973 3.012 1.00 0.21 N ATOM 1542 CA GLN A 95 9.193 -7.348 4.329 1.00 31.12 C ATOM 1543 C GLN A 95 7.941 -6.524 4.691 1.00 42.45 C ATOM 1544 O GLN A 95 7.332 -5.888 3.828 1.00 32.33 O ATOM 1545 CB GLN A 95 10.464 -6.470 4.331 1.00 44.22 C ATOM 1546 CG GLN A 95 11.107 -6.283 5.705 1.00 72.12 C ATOM 1547 CD GLN A 95 10.360 -5.317 6.608 1.00 65.14 C ATOM 1548 OE1 GLN A 95 10.325 -5.483 7.821 1.00 43.45 O ATOM 1549 NE2 GLN A 95 9.792 -4.279 6.032 1.00 12.01 N ATOM 0 H GLN A 95 9.346 -7.385 2.236 1.00 0.21 H new ATOM 0 HA GLN A 95 9.299 -8.123 5.088 1.00 31.12 H new ATOM 0 HB2 GLN A 95 11.198 -6.915 3.659 1.00 44.22 H new ATOM 0 HB3 GLN A 95 10.213 -5.490 3.926 1.00 44.22 H new ATOM 0 HG2 GLN A 95 11.171 -7.252 6.200 1.00 72.12 H new ATOM 0 HG3 GLN A 95 12.128 -5.925 5.572 1.00 72.12 H new ATOM 0 HE21 GLN A 95 9.839 -4.169 5.019 1.00 12.01 H new ATOM 0 HE22 GLN A 95 9.305 -3.584 6.599 1.00 12.01 H new ATOM 1558 N VAL A 96 7.574 -6.534 5.974 1.00 62.32 N ATOM 1559 CA VAL A 96 6.325 -5.914 6.444 1.00 72.42 C ATOM 1560 C VAL A 96 6.267 -4.391 6.203 1.00 23.23 C ATOM 1561 O VAL A 96 7.292 -3.712 6.108 1.00 62.02 O ATOM 1562 CB VAL A 96 6.095 -6.187 7.956 1.00 42.23 C ATOM 1563 CG1 VAL A 96 6.096 -7.687 8.241 1.00 12.23 C ATOM 1564 CG2 VAL A 96 7.143 -5.472 8.809 1.00 21.31 C ATOM 0 H VAL A 96 8.126 -6.967 6.714 1.00 62.32 H new ATOM 0 HA VAL A 96 5.536 -6.378 5.852 1.00 72.42 H new ATOM 0 HB VAL A 96 5.116 -5.789 8.224 1.00 42.23 H new ATOM 0 HG11 VAL A 96 5.933 -7.855 9.306 1.00 12.23 H new ATOM 0 HG12 VAL A 96 5.299 -8.166 7.672 1.00 12.23 H new ATOM 0 HG13 VAL A 96 7.056 -8.112 7.949 1.00 12.23 H new ATOM 0 HG21 VAL A 96 6.958 -5.680 9.863 1.00 21.31 H new ATOM 0 HG22 VAL A 96 8.137 -5.827 8.538 1.00 21.31 H new ATOM 0 HG23 VAL A 96 7.082 -4.398 8.635 1.00 21.31 H new ATOM 1574 N ILE A 97 5.047 -3.865 6.106 1.00 33.11 N ATOM 1575 CA ILE A 97 4.830 -2.422 5.950 1.00 74.34 C ATOM 1576 C ILE A 97 5.112 -1.669 7.262 1.00 4.54 C ATOM 1577 O ILE A 97 6.028 -0.849 7.337 1.00 14.23 O ATOM 1578 CB ILE A 97 3.383 -2.124 5.473 1.00 51.35 C ATOM 1579 CG1 ILE A 97 3.136 -2.758 4.095 1.00 35.14 C ATOM 1580 CG2 ILE A 97 3.118 -0.620 5.428 1.00 32.44 C ATOM 1581 CD1 ILE A 97 4.059 -2.241 3.008 1.00 21.13 C ATOM 0 H ILE A 97 4.189 -4.416 6.132 1.00 33.11 H new ATOM 0 HA ILE A 97 5.529 -2.071 5.192 1.00 74.34 H new ATOM 0 HB ILE A 97 2.690 -2.564 6.190 1.00 51.35 H new ATOM 0 HG12 ILE A 97 3.255 -3.838 4.176 1.00 35.14 H new ATOM 0 HG13 ILE A 97 2.103 -2.572 3.800 1.00 35.14 H new ATOM 0 HG21 ILE A 97 2.097 -0.440 5.091 1.00 32.44 H new ATOM 0 HG22 ILE A 97 3.251 -0.197 6.424 1.00 32.44 H new ATOM 0 HG23 ILE A 97 3.817 -0.148 4.737 1.00 32.44 H new ATOM 0 HD11 ILE A 97 3.824 -2.735 2.065 1.00 21.13 H new ATOM 0 HD12 ILE A 97 3.924 -1.165 2.897 1.00 21.13 H new ATOM 0 HD13 ILE A 97 5.094 -2.451 3.279 1.00 21.13 H new ATOM 1593 N THR A 98 4.314 -1.948 8.294 1.00 2.52 N ATOM 1594 CA THR A 98 4.530 -1.362 9.624 1.00 51.11 C ATOM 1595 C THR A 98 4.770 -2.457 10.672 1.00 45.43 C ATOM 1596 O THR A 98 3.947 -3.359 10.849 1.00 43.55 O ATOM 1597 CB THR A 98 3.333 -0.490 10.087 1.00 33.31 C ATOM 1598 OG1 THR A 98 2.152 -1.297 10.232 1.00 63.04 O ATOM 1599 CG2 THR A 98 3.058 0.643 9.102 1.00 32.25 C ATOM 0 H THR A 98 3.512 -2.575 8.238 1.00 2.52 H new ATOM 0 HA THR A 98 5.411 -0.726 9.536 1.00 51.11 H new ATOM 0 HB THR A 98 3.596 -0.054 11.051 1.00 33.31 H new ATOM 0 HG1 THR A 98 1.389 -0.836 9.824 1.00 63.04 H new ATOM 0 HG21 THR A 98 2.214 1.235 9.455 1.00 32.25 H new ATOM 0 HG22 THR A 98 3.940 1.279 9.023 1.00 32.25 H new ATOM 0 HG23 THR A 98 2.824 0.225 8.123 1.00 32.25 H new ATOM 1607 N LYS A 99 5.903 -2.368 11.368 1.00 75.43 N ATOM 1608 CA LYS A 99 6.263 -3.333 12.419 1.00 73.34 C ATOM 1609 C LYS A 99 5.160 -3.457 13.483 1.00 43.33 C ATOM 1610 O LYS A 99 4.968 -4.520 14.077 1.00 52.53 O ATOM 1611 CB LYS A 99 7.577 -2.902 13.088 1.00 43.54 C ATOM 1612 CG LYS A 99 8.767 -2.845 12.137 1.00 72.43 C ATOM 1613 CD LYS A 99 9.151 -4.232 11.627 1.00 75.13 C ATOM 1614 CE LYS A 99 10.280 -4.172 10.605 1.00 54.40 C ATOM 1615 NZ LYS A 99 11.488 -3.488 11.136 1.00 51.14 N ATOM 0 H LYS A 99 6.596 -1.633 11.225 1.00 75.43 H new ATOM 0 HA LYS A 99 6.385 -4.308 11.948 1.00 73.34 H new ATOM 0 HB2 LYS A 99 7.438 -1.919 13.539 1.00 43.54 H new ATOM 0 HB3 LYS A 99 7.805 -3.595 13.898 1.00 43.54 H new ATOM 0 HG2 LYS A 99 8.526 -2.200 11.292 1.00 72.43 H new ATOM 0 HG3 LYS A 99 9.619 -2.396 12.647 1.00 72.43 H new ATOM 0 HD2 LYS A 99 9.455 -4.856 12.467 1.00 75.13 H new ATOM 0 HD3 LYS A 99 8.279 -4.707 11.177 1.00 75.13 H new ATOM 0 HE2 LYS A 99 10.544 -5.184 10.299 1.00 54.40 H new ATOM 0 HE3 LYS A 99 9.932 -3.650 9.714 1.00 54.40 H new ATOM 0 HZ1 LYS A 99 12.275 -3.605 10.467 1.00 51.14 H new ATOM 0 HZ2 LYS A 99 11.287 -2.475 11.261 1.00 51.14 H new ATOM 0 HZ3 LYS A 99 11.748 -3.905 12.053 1.00 51.14 H new ATOM 1629 N LYS A 100 4.435 -2.365 13.702 1.00 70.42 N ATOM 1630 CA LYS A 100 3.389 -2.302 14.726 1.00 34.31 C ATOM 1631 C LYS A 100 2.220 -3.265 14.433 1.00 41.21 C ATOM 1632 O LYS A 100 1.652 -3.858 15.352 1.00 22.13 O ATOM 1633 CB LYS A 100 2.873 -0.861 14.835 1.00 43.05 C ATOM 1634 CG LYS A 100 1.969 -0.612 16.036 1.00 42.03 C ATOM 1635 CD LYS A 100 1.521 0.844 16.102 1.00 35.44 C ATOM 1636 CE LYS A 100 0.736 1.137 17.371 1.00 2.04 C ATOM 1637 NZ LYS A 100 0.295 2.553 17.430 1.00 64.52 N ATOM 0 H LYS A 100 4.553 -1.498 13.178 1.00 70.42 H new ATOM 0 HA LYS A 100 3.829 -2.617 15.672 1.00 34.31 H new ATOM 0 HB2 LYS A 100 3.726 -0.184 14.890 1.00 43.05 H new ATOM 0 HB3 LYS A 100 2.327 -0.612 13.925 1.00 43.05 H new ATOM 0 HG2 LYS A 100 1.095 -1.261 15.976 1.00 42.03 H new ATOM 0 HG3 LYS A 100 2.498 -0.873 16.952 1.00 42.03 H new ATOM 0 HD2 LYS A 100 2.394 1.495 16.056 1.00 35.44 H new ATOM 0 HD3 LYS A 100 0.905 1.075 15.233 1.00 35.44 H new ATOM 0 HE2 LYS A 100 -0.134 0.483 17.420 1.00 2.04 H new ATOM 0 HE3 LYS A 100 1.353 0.912 18.241 1.00 2.04 H new ATOM 0 HZ1 LYS A 100 -0.237 2.715 18.309 1.00 64.52 H new ATOM 0 HZ2 LYS A 100 1.127 3.177 17.409 1.00 64.52 H new ATOM 0 HZ3 LYS A 100 -0.314 2.761 16.613 1.00 64.52 H new ATOM 1651 N SER A 101 1.866 -3.423 13.156 1.00 20.34 N ATOM 1652 CA SER A 101 0.738 -4.296 12.766 1.00 11.20 C ATOM 1653 C SER A 101 1.212 -5.622 12.148 1.00 61.12 C ATOM 1654 O SER A 101 0.446 -6.586 12.068 1.00 44.31 O ATOM 1655 CB SER A 101 -0.188 -3.570 11.777 1.00 23.10 C ATOM 1656 OG SER A 101 -0.765 -2.412 12.364 1.00 64.42 O ATOM 0 H SER A 101 2.335 -2.965 12.374 1.00 20.34 H new ATOM 0 HA SER A 101 0.191 -4.530 13.679 1.00 11.20 H new ATOM 0 HB2 SER A 101 0.376 -3.287 10.888 1.00 23.10 H new ATOM 0 HB3 SER A 101 -0.978 -4.247 11.451 1.00 23.10 H new ATOM 0 HG SER A 101 -1.347 -1.970 11.711 1.00 64.42 H new ATOM 1662 N GLY A 102 2.467 -5.656 11.688 1.00 2.33 N ATOM 1663 CA GLY A 102 3.038 -6.875 11.108 1.00 65.44 C ATOM 1664 C GLY A 102 2.307 -7.361 9.856 1.00 3.14 C ATOM 1665 O GLY A 102 1.871 -8.514 9.786 1.00 22.01 O ATOM 0 H GLY A 102 3.103 -4.859 11.706 1.00 2.33 H new ATOM 0 HA2 GLY A 102 4.084 -6.693 10.860 1.00 65.44 H new ATOM 0 HA3 GLY A 102 3.021 -7.666 11.858 1.00 65.44 H new ATOM 1669 N VAL A 103 2.171 -6.481 8.865 1.00 52.51 N ATOM 1670 CA VAL A 103 1.468 -6.820 7.619 1.00 44.22 C ATOM 1671 C VAL A 103 2.438 -6.985 6.436 1.00 22.03 C ATOM 1672 O VAL A 103 3.241 -6.095 6.156 1.00 35.43 O ATOM 1673 CB VAL A 103 0.418 -5.743 7.261 1.00 20.22 C ATOM 1674 CG1 VAL A 103 -0.388 -6.164 6.034 1.00 34.31 C ATOM 1675 CG2 VAL A 103 -0.500 -5.475 8.450 1.00 15.44 C ATOM 0 H VAL A 103 2.536 -5.529 8.896 1.00 52.51 H new ATOM 0 HA VAL A 103 0.969 -7.773 7.797 1.00 44.22 H new ATOM 0 HB VAL A 103 0.941 -4.818 7.020 1.00 20.22 H new ATOM 0 HG11 VAL A 103 -1.121 -5.393 5.798 1.00 34.31 H new ATOM 0 HG12 VAL A 103 0.283 -6.297 5.186 1.00 34.31 H new ATOM 0 HG13 VAL A 103 -0.902 -7.103 6.241 1.00 34.31 H new ATOM 0 HG21 VAL A 103 -1.233 -4.714 8.180 1.00 15.44 H new ATOM 0 HG22 VAL A 103 -1.016 -6.395 8.726 1.00 15.44 H new ATOM 0 HG23 VAL A 103 0.092 -5.124 9.295 1.00 15.44 H new ATOM 1685 N VAL A 104 2.344 -8.118 5.739 1.00 53.13 N ATOM 1686 CA VAL A 104 3.209 -8.407 4.582 1.00 74.25 C ATOM 1687 C VAL A 104 2.452 -8.214 3.254 1.00 53.23 C ATOM 1688 O VAL A 104 1.225 -8.311 3.211 1.00 32.32 O ATOM 1689 CB VAL A 104 3.756 -9.859 4.652 1.00 0.32 C ATOM 1690 CG1 VAL A 104 4.799 -10.114 3.563 1.00 63.52 C ATOM 1691 CG2 VAL A 104 4.331 -10.154 6.038 1.00 25.44 C ATOM 0 H VAL A 104 1.675 -8.858 5.953 1.00 53.13 H new ATOM 0 HA VAL A 104 4.041 -7.704 4.618 1.00 74.25 H new ATOM 0 HB VAL A 104 2.922 -10.539 4.476 1.00 0.32 H new ATOM 0 HG11 VAL A 104 5.162 -11.139 3.640 1.00 63.52 H new ATOM 0 HG12 VAL A 104 4.347 -9.961 2.583 1.00 63.52 H new ATOM 0 HG13 VAL A 104 5.633 -9.424 3.689 1.00 63.52 H new ATOM 0 HG21 VAL A 104 4.709 -11.176 6.065 1.00 25.44 H new ATOM 0 HG22 VAL A 104 5.145 -9.461 6.249 1.00 25.44 H new ATOM 0 HG23 VAL A 104 3.550 -10.036 6.789 1.00 25.44 H new ATOM 1701 N LEU A 105 3.187 -7.941 2.171 1.00 62.41 N ATOM 1702 CA LEU A 105 2.579 -7.762 0.845 1.00 35.13 C ATOM 1703 C LEU A 105 2.603 -9.068 0.026 1.00 5.14 C ATOM 1704 O LEU A 105 3.668 -9.550 -0.378 1.00 0.02 O ATOM 1705 CB LEU A 105 3.300 -6.652 0.065 1.00 31.01 C ATOM 1706 CG LEU A 105 3.276 -5.261 0.718 1.00 0.44 C ATOM 1707 CD1 LEU A 105 3.955 -4.232 -0.184 1.00 45.32 C ATOM 1708 CD2 LEU A 105 1.841 -4.843 1.040 1.00 72.21 C ATOM 0 H LEU A 105 4.202 -7.839 2.185 1.00 62.41 H new ATOM 0 HA LEU A 105 1.539 -7.477 1.003 1.00 35.13 H new ATOM 0 HB2 LEU A 105 4.339 -6.949 -0.078 1.00 31.01 H new ATOM 0 HB3 LEU A 105 2.850 -6.577 -0.925 1.00 31.01 H new ATOM 0 HG LEU A 105 3.832 -5.310 1.654 1.00 0.44 H new ATOM 0 HD11 LEU A 105 3.928 -3.254 0.296 1.00 45.32 H new ATOM 0 HD12 LEU A 105 4.991 -4.524 -0.354 1.00 45.32 H new ATOM 0 HD13 LEU A 105 3.431 -4.183 -1.139 1.00 45.32 H new ATOM 0 HD21 LEU A 105 1.845 -3.856 1.502 1.00 72.21 H new ATOM 0 HD22 LEU A 105 1.256 -4.812 0.121 1.00 72.21 H new ATOM 0 HD23 LEU A 105 1.398 -5.563 1.727 1.00 72.21 H new ATOM 1720 N LEU A 106 1.423 -9.642 -0.206 1.00 41.11 N ATOM 1721 CA LEU A 106 1.280 -10.849 -1.035 1.00 12.51 C ATOM 1722 C LEU A 106 -0.002 -10.792 -1.884 1.00 50.34 C ATOM 1723 O LEU A 106 -0.941 -10.085 -1.540 1.00 42.10 O ATOM 1724 CB LEU A 106 1.286 -12.127 -0.169 1.00 55.41 C ATOM 1725 CG LEU A 106 0.288 -12.159 1.006 1.00 20.42 C ATOM 1726 CD1 LEU A 106 0.043 -13.591 1.471 1.00 11.14 C ATOM 1727 CD2 LEU A 106 0.787 -11.315 2.176 1.00 31.15 C ATOM 0 H LEU A 106 0.542 -9.290 0.170 1.00 41.11 H new ATOM 0 HA LEU A 106 2.138 -10.884 -1.706 1.00 12.51 H new ATOM 0 HB2 LEU A 106 1.081 -12.980 -0.816 1.00 55.41 H new ATOM 0 HB3 LEU A 106 2.291 -12.265 0.231 1.00 55.41 H new ATOM 0 HG LEU A 106 -0.652 -11.737 0.649 1.00 20.42 H new ATOM 0 HD11 LEU A 106 -0.664 -13.588 2.300 1.00 11.14 H new ATOM 0 HD12 LEU A 106 -0.366 -14.176 0.647 1.00 11.14 H new ATOM 0 HD13 LEU A 106 0.984 -14.033 1.798 1.00 11.14 H new ATOM 0 HD21 LEU A 106 0.063 -11.357 2.990 1.00 31.15 H new ATOM 0 HD22 LEU A 106 1.745 -11.703 2.522 1.00 31.15 H new ATOM 0 HD23 LEU A 106 0.910 -10.281 1.853 1.00 31.15 H new ATOM 1739 N ASN A 107 -0.017 -11.549 -2.990 1.00 33.44 N ATOM 1740 CA ASN A 107 -1.164 -11.611 -3.926 1.00 22.22 C ATOM 1741 C ASN A 107 -1.886 -10.254 -4.129 1.00 31.55 C ATOM 1742 O ASN A 107 -2.956 -10.014 -3.570 1.00 71.01 O ATOM 1743 CB ASN A 107 -2.169 -12.706 -3.508 1.00 20.23 C ATOM 1744 CG ASN A 107 -2.569 -12.652 -2.039 1.00 23.22 C ATOM 1745 OD1 ASN A 107 -1.983 -13.327 -1.201 1.00 11.52 O ATOM 1746 ND2 ASN A 107 -3.569 -11.859 -1.710 1.00 53.35 N ATOM 0 H ASN A 107 0.766 -12.140 -3.268 1.00 33.44 H new ATOM 0 HA ASN A 107 -0.735 -11.872 -4.893 1.00 22.22 H new ATOM 0 HB2 ASN A 107 -3.065 -12.615 -4.122 1.00 20.23 H new ATOM 0 HB3 ASN A 107 -1.735 -13.683 -3.720 1.00 20.23 H new ATOM 0 HD21 ASN A 107 -3.872 -11.797 -0.738 1.00 53.35 H new ATOM 0 HD22 ASN A 107 -4.040 -11.308 -2.427 1.00 53.35 H new ATOM 1753 N PRO A 108 -1.317 -9.357 -4.961 1.00 74.22 N ATOM 1754 CA PRO A 108 -1.913 -8.035 -5.226 1.00 11.31 C ATOM 1755 C PRO A 108 -3.170 -8.108 -6.112 1.00 71.25 C ATOM 1756 O PRO A 108 -3.361 -9.067 -6.864 1.00 34.42 O ATOM 1757 CB PRO A 108 -0.785 -7.284 -5.949 1.00 25.54 C ATOM 1758 CG PRO A 108 0.005 -8.357 -6.621 1.00 2.03 C ATOM 1759 CD PRO A 108 -0.063 -9.559 -5.713 1.00 72.41 C ATOM 0 HA PRO A 108 -2.254 -7.553 -4.309 1.00 11.31 H new ATOM 0 HB2 PRO A 108 -1.182 -6.571 -6.672 1.00 25.54 H new ATOM 0 HB3 PRO A 108 -0.171 -6.719 -5.248 1.00 25.54 H new ATOM 0 HG2 PRO A 108 -0.407 -8.587 -7.603 1.00 2.03 H new ATOM 0 HG3 PRO A 108 1.037 -8.043 -6.774 1.00 2.03 H new ATOM 0 HD2 PRO A 108 -0.082 -10.489 -6.281 1.00 72.41 H new ATOM 0 HD3 PRO A 108 0.799 -9.608 -5.048 1.00 72.41 H new ATOM 1767 N ILE A 109 -4.031 -7.096 -6.008 1.00 35.22 N ATOM 1768 CA ILE A 109 -5.248 -7.028 -6.826 1.00 22.02 C ATOM 1769 C ILE A 109 -5.008 -6.192 -8.100 1.00 63.11 C ATOM 1770 O ILE A 109 -4.809 -4.979 -8.017 1.00 4.03 O ATOM 1771 CB ILE A 109 -6.426 -6.418 -6.022 1.00 10.14 C ATOM 1772 CG1 ILE A 109 -6.693 -7.239 -4.747 1.00 3.13 C ATOM 1773 CG2 ILE A 109 -7.688 -6.338 -6.885 1.00 5.43 C ATOM 1774 CD1 ILE A 109 -7.113 -8.671 -5.012 1.00 64.53 C ATOM 0 H ILE A 109 -3.911 -6.312 -5.367 1.00 35.22 H new ATOM 0 HA ILE A 109 -5.506 -8.047 -7.112 1.00 22.02 H new ATOM 0 HB ILE A 109 -6.150 -5.405 -5.728 1.00 10.14 H new ATOM 0 HG12 ILE A 109 -5.791 -7.243 -4.135 1.00 3.13 H new ATOM 0 HG13 ILE A 109 -7.471 -6.745 -4.165 1.00 3.13 H new ATOM 0 HG21 ILE A 109 -8.501 -5.907 -6.301 1.00 5.43 H new ATOM 0 HG22 ILE A 109 -7.494 -5.711 -7.755 1.00 5.43 H new ATOM 0 HG23 ILE A 109 -7.968 -7.339 -7.214 1.00 5.43 H new ATOM 0 HD11 ILE A 109 -7.282 -9.182 -4.064 1.00 64.53 H new ATOM 0 HD12 ILE A 109 -8.033 -8.678 -5.597 1.00 64.53 H new ATOM 0 HD13 ILE A 109 -6.327 -9.184 -5.566 1.00 64.53 H new ATOM 1786 N PRO A 110 -5.015 -6.829 -9.291 1.00 52.22 N ATOM 1787 CA PRO A 110 -4.772 -6.136 -10.573 1.00 72.14 C ATOM 1788 C PRO A 110 -5.900 -5.162 -10.973 1.00 35.32 C ATOM 1789 O PRO A 110 -7.019 -5.228 -10.454 1.00 73.25 O ATOM 1790 CB PRO A 110 -4.665 -7.287 -11.597 1.00 74.22 C ATOM 1791 CG PRO A 110 -4.516 -8.533 -10.784 1.00 5.02 C ATOM 1792 CD PRO A 110 -5.237 -8.269 -9.493 1.00 70.25 C ATOM 0 HA PRO A 110 -3.883 -5.508 -10.514 1.00 72.14 H new ATOM 0 HB2 PRO A 110 -5.552 -7.334 -12.228 1.00 74.22 H new ATOM 0 HB3 PRO A 110 -3.810 -7.146 -12.258 1.00 74.22 H new ATOM 0 HG2 PRO A 110 -4.944 -9.391 -11.302 1.00 5.02 H new ATOM 0 HG3 PRO A 110 -3.465 -8.760 -10.605 1.00 5.02 H new ATOM 0 HD2 PRO A 110 -6.298 -8.510 -9.564 1.00 70.25 H new ATOM 0 HD3 PRO A 110 -4.830 -8.861 -8.673 1.00 70.25 H new ATOM 1800 N LYS A 111 -5.600 -4.263 -11.914 1.00 44.02 N ATOM 1801 CA LYS A 111 -6.576 -3.270 -12.389 1.00 52.54 C ATOM 1802 C LYS A 111 -6.481 -3.072 -13.907 1.00 2.13 C ATOM 1803 O LYS A 111 -5.629 -3.662 -14.573 1.00 52.41 O ATOM 1804 CB LYS A 111 -6.360 -1.924 -11.661 1.00 72.31 C ATOM 1805 CG LYS A 111 -5.021 -1.230 -11.959 1.00 13.11 C ATOM 1806 CD LYS A 111 -5.068 -0.372 -13.230 1.00 43.12 C ATOM 1807 CE LYS A 111 -3.710 0.234 -13.574 1.00 10.31 C ATOM 1808 NZ LYS A 111 -3.225 1.158 -12.517 1.00 41.20 N ATOM 0 H LYS A 111 -4.687 -4.200 -12.365 1.00 44.02 H new ATOM 0 HA LYS A 111 -7.574 -3.645 -12.163 1.00 52.54 H new ATOM 0 HB2 LYS A 111 -7.171 -1.248 -11.932 1.00 72.31 H new ATOM 0 HB3 LYS A 111 -6.433 -2.094 -10.587 1.00 72.31 H new ATOM 0 HG2 LYS A 111 -4.746 -0.602 -11.112 1.00 13.11 H new ATOM 0 HG3 LYS A 111 -4.241 -1.984 -12.063 1.00 13.11 H new ATOM 0 HD2 LYS A 111 -5.412 -0.983 -14.065 1.00 43.12 H new ATOM 0 HD3 LYS A 111 -5.797 0.428 -13.098 1.00 43.12 H new ATOM 0 HE2 LYS A 111 -2.983 -0.565 -13.717 1.00 10.31 H new ATOM 0 HE3 LYS A 111 -3.783 0.772 -14.519 1.00 10.31 H new ATOM 0 HZ1 LYS A 111 -3.045 2.095 -12.931 1.00 41.20 H new ATOM 0 HZ2 LYS A 111 -3.945 1.241 -11.771 1.00 41.20 H new ATOM 0 HZ3 LYS A 111 -2.345 0.786 -12.108 1.00 41.20 H new ATOM 1822 N ASP A 112 -7.359 -2.227 -14.440 1.00 30.24 N ATOM 1823 CA ASP A 112 -7.290 -1.809 -15.842 1.00 44.23 C ATOM 1824 C ASP A 112 -7.932 -0.418 -16.006 1.00 62.02 C ATOM 1825 O ASP A 112 -8.800 -0.031 -15.221 1.00 23.24 O ATOM 1826 CB ASP A 112 -7.970 -2.844 -16.750 1.00 42.14 C ATOM 1827 CG ASP A 112 -7.593 -2.690 -18.217 1.00 71.42 C ATOM 1828 OD1 ASP A 112 -6.676 -1.893 -18.530 1.00 54.21 O ATOM 1829 OD2 ASP A 112 -8.211 -3.363 -19.066 1.00 70.22 O ATOM 0 H ASP A 112 -8.133 -1.814 -13.920 1.00 30.24 H new ATOM 0 HA ASP A 112 -6.244 -1.744 -16.141 1.00 44.23 H new ATOM 0 HB2 ASP A 112 -7.700 -3.846 -16.415 1.00 42.14 H new ATOM 0 HB3 ASP A 112 -9.051 -2.754 -16.647 1.00 42.14 H new ATOM 1834 N LYS A 113 -7.513 0.328 -17.028 1.00 55.15 N ATOM 1835 CA LYS A 113 -7.916 1.739 -17.171 1.00 65.24 C ATOM 1836 C LYS A 113 -9.039 1.947 -18.210 1.00 34.45 C ATOM 1837 O LYS A 113 -9.243 3.062 -18.698 1.00 24.14 O ATOM 1838 CB LYS A 113 -6.698 2.631 -17.505 1.00 24.41 C ATOM 1839 CG LYS A 113 -5.775 2.110 -18.612 1.00 61.33 C ATOM 1840 CD LYS A 113 -4.712 1.148 -18.076 1.00 22.00 C ATOM 1841 CE LYS A 113 -3.693 0.776 -19.148 1.00 12.24 C ATOM 1842 NZ LYS A 113 -2.918 1.956 -19.609 1.00 63.03 N ATOM 0 H LYS A 113 -6.899 -0.012 -17.768 1.00 55.15 H new ATOM 0 HA LYS A 113 -8.323 2.038 -16.205 1.00 65.24 H new ATOM 0 HB2 LYS A 113 -7.062 3.617 -17.795 1.00 24.41 H new ATOM 0 HB3 LYS A 113 -6.108 2.763 -16.598 1.00 24.41 H new ATOM 0 HG2 LYS A 113 -6.371 1.603 -19.371 1.00 61.33 H new ATOM 0 HG3 LYS A 113 -5.286 2.953 -19.101 1.00 61.33 H new ATOM 0 HD2 LYS A 113 -4.199 1.607 -17.231 1.00 22.00 H new ATOM 0 HD3 LYS A 113 -5.194 0.244 -17.704 1.00 22.00 H new ATOM 0 HE2 LYS A 113 -3.009 0.024 -18.754 1.00 12.24 H new ATOM 0 HE3 LYS A 113 -4.207 0.325 -19.997 1.00 12.24 H new ATOM 0 HZ1 LYS A 113 -1.938 1.671 -19.810 1.00 63.03 H new ATOM 0 HZ2 LYS A 113 -3.351 2.340 -20.473 1.00 63.03 H new ATOM 0 HZ3 LYS A 113 -2.921 2.685 -18.867 1.00 63.03 H new ATOM 1856 N LYS A 114 -9.778 0.886 -18.530 1.00 62.20 N ATOM 1857 CA LYS A 114 -10.983 1.005 -19.371 1.00 72.11 C ATOM 1858 C LYS A 114 -12.189 0.390 -18.650 1.00 62.43 C ATOM 1859 O LYS A 114 -12.029 -0.358 -17.681 1.00 73.14 O ATOM 1860 CB LYS A 114 -10.806 0.317 -20.741 1.00 32.41 C ATOM 1861 CG LYS A 114 -9.424 0.465 -21.374 1.00 72.52 C ATOM 1862 CD LYS A 114 -8.484 -0.646 -20.914 1.00 24.40 C ATOM 1863 CE LYS A 114 -7.135 -0.597 -21.614 1.00 34.33 C ATOM 1864 NZ LYS A 114 -6.311 -1.791 -21.294 1.00 5.12 N ATOM 0 H LYS A 114 -9.570 -0.065 -18.225 1.00 62.20 H new ATOM 0 HA LYS A 114 -11.150 2.068 -19.546 1.00 72.11 H new ATOM 0 HB2 LYS A 114 -11.023 -0.745 -20.626 1.00 32.41 H new ATOM 0 HB3 LYS A 114 -11.548 0.721 -21.430 1.00 32.41 H new ATOM 0 HG2 LYS A 114 -9.514 0.442 -22.460 1.00 72.52 H new ATOM 0 HG3 LYS A 114 -9.002 1.435 -21.110 1.00 72.52 H new ATOM 0 HD2 LYS A 114 -8.334 -0.567 -19.837 1.00 24.40 H new ATOM 0 HD3 LYS A 114 -8.951 -1.613 -21.101 1.00 24.40 H new ATOM 0 HE2 LYS A 114 -7.285 -0.536 -22.692 1.00 34.33 H new ATOM 0 HE3 LYS A 114 -6.601 0.305 -21.315 1.00 34.33 H new ATOM 0 HZ1 LYS A 114 -5.330 -1.628 -21.600 1.00 5.12 H new ATOM 0 HZ2 LYS A 114 -6.330 -1.961 -20.268 1.00 5.12 H new ATOM 0 HZ3 LYS A 114 -6.695 -2.621 -21.790 1.00 5.12 H new ATOM 1878 N TRP A 115 -13.394 0.690 -19.125 1.00 54.33 N ATOM 1879 CA TRP A 115 -14.609 0.118 -18.535 1.00 23.25 C ATOM 1880 C TRP A 115 -14.855 -1.305 -19.060 1.00 63.22 C ATOM 1881 O TRP A 115 -15.790 -1.555 -19.825 1.00 54.05 O ATOM 1882 CB TRP A 115 -15.825 1.016 -18.816 1.00 74.23 C ATOM 1883 CG TRP A 115 -15.686 2.406 -18.258 1.00 2.43 C ATOM 1884 CD1 TRP A 115 -15.279 3.523 -18.932 1.00 20.40 C ATOM 1885 CD2 TRP A 115 -15.943 2.822 -16.909 1.00 12.12 C ATOM 1886 NE1 TRP A 115 -15.278 4.607 -18.089 1.00 70.12 N ATOM 1887 CE2 TRP A 115 -15.679 4.204 -16.843 1.00 3.14 C ATOM 1888 CE3 TRP A 115 -16.376 2.164 -15.751 1.00 64.42 C ATOM 1889 CZ2 TRP A 115 -15.830 4.937 -15.668 1.00 24.25 C ATOM 1890 CZ3 TRP A 115 -16.524 2.894 -14.585 1.00 20.00 C ATOM 1891 CH2 TRP A 115 -16.252 4.267 -14.552 1.00 33.14 C ATOM 0 H TRP A 115 -13.559 1.320 -19.910 1.00 54.33 H new ATOM 0 HA TRP A 115 -14.466 0.062 -17.456 1.00 23.25 H new ATOM 0 HB2 TRP A 115 -15.979 1.079 -19.893 1.00 74.23 H new ATOM 0 HB3 TRP A 115 -16.716 0.551 -18.394 1.00 74.23 H new ATOM 0 HD1 TRP A 115 -14.999 3.549 -19.975 1.00 20.40 H new ATOM 0 HE1 TRP A 115 -15.020 5.559 -18.349 1.00 70.12 H new ATOM 0 HE3 TRP A 115 -16.591 1.106 -15.768 1.00 64.42 H new ATOM 0 HZ2 TRP A 115 -15.621 5.996 -15.639 1.00 24.25 H new ATOM 0 HZ3 TRP A 115 -16.855 2.396 -13.685 1.00 20.00 H new ATOM 0 HH2 TRP A 115 -16.378 4.809 -13.626 1.00 33.14 H new ATOM 1902 N ILE A 116 -13.986 -2.234 -18.654 1.00 54.43 N ATOM 1903 CA ILE A 116 -14.067 -3.636 -19.097 1.00 12.23 C ATOM 1904 C ILE A 116 -14.551 -4.561 -17.959 1.00 2.33 C ATOM 1905 O ILE A 116 -13.740 -4.908 -17.068 1.00 37.87 O ATOM 1906 CB ILE A 116 -12.697 -4.130 -19.638 1.00 51.25 C ATOM 1907 CG1 ILE A 116 -12.218 -3.224 -20.788 1.00 72.31 C ATOM 1908 CG2 ILE A 116 -12.789 -5.585 -20.104 1.00 65.52 C ATOM 1909 CD1 ILE A 116 -10.880 -3.625 -21.377 1.00 63.34 C ATOM 1910 OXT ILE A 116 -15.748 -4.929 -17.960 1.00 37.87 O ATOM 0 H ILE A 116 -13.213 -2.043 -18.016 1.00 54.43 H new ATOM 0 HA ILE A 116 -14.798 -3.677 -19.905 1.00 12.23 H new ATOM 0 HB ILE A 116 -11.970 -4.079 -18.828 1.00 51.25 H new ATOM 0 HG12 ILE A 116 -12.968 -3.232 -21.579 1.00 72.31 H new ATOM 0 HG13 ILE A 116 -12.150 -2.199 -20.424 1.00 72.31 H new ATOM 0 HG21 ILE A 116 -11.818 -5.909 -20.479 1.00 65.52 H new ATOM 0 HG22 ILE A 116 -13.084 -6.217 -19.267 1.00 65.52 H new ATOM 0 HG23 ILE A 116 -13.530 -5.666 -20.899 1.00 65.52 H new ATOM 0 HD11 ILE A 116 -10.615 -2.937 -22.180 1.00 63.34 H new ATOM 0 HD12 ILE A 116 -10.115 -3.589 -20.601 1.00 63.34 H new ATOM 0 HD13 ILE A 116 -10.946 -4.638 -21.774 1.00 63.34 H new TER 1922 ILE A 116