USER MOD reduce.3.24.130724 H: found=0, std=0, add=956, rem=0, adj=27 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 54 SER OG : rot -74:sc= 1.28 USER MOD Set 1.2: A 63 HIS : no HD1:sc= 1.07 K(o=2.3,f=-4.7!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -170:sc= 0 (180deg=-0.0726) USER MOD Single : A 3 HIS : no HD1:sc= -0.836 X(o=-0.84,f=-1.1) USER MOD Single : A 4 HIS : no HD1:sc= -0.0301 X(o=-0.03,f=0) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 6 HIS : no HD1:sc= -0.0299 X(o=-0.03,f=-0.24) USER MOD Single : A 7 HIS : no HD1:sc= -0.0321 X(o=-0.032,f=-0.43) USER MOD Single : A 8 HIS : no HD1:sc= -0.0182 X(o=-0.018,f=-0.046) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ -166:sc= 0.876 (180deg=0.199) USER MOD Single : A 17 GLN : amide:sc= -1.31! X(o=-1.3!,f=-1.4) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 HIS : no HD1:sc= -0.925 K(o=-0.92,f=-5.8!) USER MOD Single : A 30 GLN : amide:sc= 0.214 X(o=0.21,f=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0.259 (180deg=0.259) USER MOD Single : A 35 LYS NZ :NH3+ 146:sc= 1.19 (180deg=0.725) USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 SER OG : rot 163:sc= 0.229 USER MOD Single : A 45 HIS : no HD1:sc= -0.996 K(o=-1,f=-2.4!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 TYR OH : rot -118:sc= 0.509 USER MOD Single : A 56 TYR OH : rot 100:sc= 0.0176 USER MOD Single : A 57 SER OG : rot -80:sc= 0.57 USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 GLN : amide:sc= -0.881 K(o=-0.88,f=-2.7) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= 0 K(o=0,f=-0.81) USER MOD Single : A 72 MET CE :methyl -143:sc= -0.106 (180deg=-0.589) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 ASN : amide:sc= -0.0572 X(o=-0.057,f=0) USER MOD Single : A 85 GLN : amide:sc= -0.188 X(o=-0.19,f=-0.021) USER MOD Single : A 89 HIS : no HD1:sc= -0.0791 X(o=-0.079,f=0) USER MOD Single : A 90 HIS : no HE2:sc= 0.918 K(o=0.92,f=-2.8!) USER MOD Single : A 91 TYR OH : rot 80:sc= -0.392 USER MOD Single : A 92 THR OG1 : rot 180:sc=-0.00405 USER MOD Single : A 93 THR OG1 : rot -86:sc= 1.18 USER MOD Single : A 94 LYS NZ :NH3+ -169:sc= -0.0113 (180deg=-0.151) USER MOD Single : A 95 GLN :FLIP amide:sc= -0.307 F(o=-0.87,f=-0.31) USER MOD Single : A 98 THR OG1 : rot -127:sc= 0.146 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 SER OG : rot 170:sc= -0.0557 USER MOD Single : A 107 ASN :FLIP amide:sc= -0.893 F(o=-1.4,f=-0.89) USER MOD Single : A 111 LYS NZ :NH3+ 178:sc= 1.65 (180deg=1.63) USER MOD Single : A 113 LYS NZ :NH3+ 142:sc= -2.33! (180deg=-4.36!) USER MOD Single : A 114 LYS NZ :NH3+ 165:sc= -0.0428 (180deg=-0.315) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.673 0.178 -27.020 1.00 0.00 N ATOM 2 CA MET A 1 2.598 1.116 -27.717 1.00 52.33 C ATOM 3 C MET A 1 3.069 0.556 -29.070 1.00 52.35 C ATOM 4 O MET A 1 4.165 -0.002 -29.176 1.00 61.04 O ATOM 5 CB MET A 1 3.807 1.441 -26.824 1.00 11.01 C ATOM 6 CG MET A 1 3.443 2.238 -25.580 1.00 12.01 C ATOM 7 SD MET A 1 2.727 3.845 -25.982 1.00 24.24 S ATOM 8 CE MET A 1 2.378 4.487 -24.345 1.00 71.10 C ATOM 0 H1 MET A 1 1.247 0.656 -26.201 1.00 0.00 H new ATOM 0 H2 MET A 1 0.923 -0.121 -27.675 1.00 0.00 H new ATOM 0 H3 MET A 1 2.203 -0.656 -26.697 1.00 0.00 H new ATOM 0 HA MET A 1 2.044 2.034 -27.915 1.00 52.33 H new ATOM 0 HB2 MET A 1 4.287 0.510 -26.522 1.00 11.01 H new ATOM 0 HB3 MET A 1 4.538 2.003 -27.405 1.00 11.01 H new ATOM 0 HG2 MET A 1 2.735 1.667 -24.980 1.00 12.01 H new ATOM 0 HG3 MET A 1 4.335 2.382 -24.970 1.00 12.01 H new ATOM 0 HE1 MET A 1 1.931 5.477 -24.430 1.00 71.10 H new ATOM 0 HE2 MET A 1 1.686 3.819 -23.832 1.00 71.10 H new ATOM 0 HE3 MET A 1 3.305 4.555 -23.776 1.00 71.10 H new ATOM 20 N GLY A 2 2.217 0.682 -30.092 1.00 34.32 N ATOM 21 CA GLY A 2 2.566 0.243 -31.445 1.00 4.22 C ATOM 22 C GLY A 2 3.082 -1.194 -31.525 1.00 71.35 C ATOM 23 O GLY A 2 3.926 -1.505 -32.364 1.00 45.22 O ATOM 0 H GLY A 2 1.283 1.083 -30.008 1.00 34.32 H new ATOM 0 HA2 GLY A 2 1.688 0.338 -32.083 1.00 4.22 H new ATOM 0 HA3 GLY A 2 3.326 0.913 -31.847 1.00 4.22 H new ATOM 27 N HIS A 3 2.575 -2.064 -30.641 1.00 1.44 N ATOM 28 CA HIS A 3 2.989 -3.481 -30.552 1.00 21.32 C ATOM 29 C HIS A 3 4.522 -3.672 -30.581 1.00 15.04 C ATOM 30 O HIS A 3 5.014 -4.748 -30.923 1.00 61.13 O ATOM 31 CB HIS A 3 2.305 -4.338 -31.641 1.00 20.42 C ATOM 32 CG HIS A 3 2.674 -3.996 -33.058 1.00 13.23 C ATOM 33 ND1 HIS A 3 1.919 -3.153 -33.846 1.00 4.52 N ATOM 34 CD2 HIS A 3 3.709 -4.401 -33.835 1.00 61.22 C ATOM 35 CE1 HIS A 3 2.469 -3.058 -35.039 1.00 14.12 C ATOM 36 NE2 HIS A 3 3.553 -3.803 -35.062 1.00 53.40 N ATOM 0 H HIS A 3 1.860 -1.807 -29.960 1.00 1.44 H new ATOM 0 HA HIS A 3 2.653 -3.830 -29.576 1.00 21.32 H new ATOM 0 HB2 HIS A 3 2.550 -5.385 -31.462 1.00 20.42 H new ATOM 0 HB3 HIS A 3 1.225 -4.240 -31.531 1.00 20.42 H new ATOM 0 HD2 HIS A 3 4.506 -5.069 -33.544 1.00 61.22 H new ATOM 0 HE1 HIS A 3 2.093 -2.467 -35.861 1.00 14.12 H new ATOM 0 HE2 HIS A 3 4.176 -3.918 -35.861 1.00 53.40 H new ATOM 45 N HIS A 4 5.267 -2.639 -30.186 1.00 23.21 N ATOM 46 CA HIS A 4 6.731 -2.725 -30.102 1.00 70.21 C ATOM 47 C HIS A 4 7.163 -3.515 -28.856 1.00 45.41 C ATOM 48 O HIS A 4 6.868 -3.125 -27.726 1.00 1.33 O ATOM 49 CB HIS A 4 7.366 -1.324 -30.093 1.00 24.14 C ATOM 50 CG HIS A 4 7.369 -0.647 -31.431 1.00 32.31 C ATOM 51 ND1 HIS A 4 8.417 -0.751 -32.317 1.00 55.35 N ATOM 52 CD2 HIS A 4 6.457 0.157 -32.030 1.00 51.34 C ATOM 53 CE1 HIS A 4 8.155 -0.045 -33.396 1.00 14.00 C ATOM 54 NE2 HIS A 4 6.972 0.515 -33.250 1.00 42.11 N ATOM 0 H HIS A 4 4.884 -1.732 -29.919 1.00 23.21 H new ATOM 0 HA HIS A 4 7.084 -3.256 -30.986 1.00 70.21 H new ATOM 0 HB2 HIS A 4 6.828 -0.697 -29.381 1.00 24.14 H new ATOM 0 HB3 HIS A 4 8.393 -1.404 -29.735 1.00 24.14 H new ATOM 0 HD2 HIS A 4 5.503 0.459 -31.623 1.00 51.34 H new ATOM 0 HE1 HIS A 4 8.801 0.058 -34.256 1.00 14.00 H new ATOM 0 HE2 HIS A 4 6.513 1.117 -33.933 1.00 42.11 H new ATOM 63 N HIS A 5 7.864 -4.622 -29.079 1.00 24.24 N ATOM 64 CA HIS A 5 8.282 -5.526 -28.001 1.00 33.21 C ATOM 65 C HIS A 5 9.596 -5.052 -27.352 1.00 5.45 C ATOM 66 O HIS A 5 10.532 -4.655 -28.049 1.00 4.45 O ATOM 67 CB HIS A 5 8.455 -6.942 -28.566 1.00 3.21 C ATOM 68 CG HIS A 5 7.303 -7.381 -29.423 1.00 61.42 C ATOM 69 ND1 HIS A 5 7.281 -7.231 -30.797 1.00 30.02 N ATOM 70 CD2 HIS A 5 6.119 -7.954 -29.098 1.00 5.33 C ATOM 71 CE1 HIS A 5 6.141 -7.690 -31.271 1.00 34.40 C ATOM 72 NE2 HIS A 5 5.420 -8.135 -30.265 1.00 24.41 N ATOM 0 H HIS A 5 8.160 -4.922 -30.008 1.00 24.24 H new ATOM 0 HA HIS A 5 7.511 -5.527 -27.230 1.00 33.21 H new ATOM 0 HB2 HIS A 5 9.372 -6.982 -29.153 1.00 3.21 H new ATOM 0 HB3 HIS A 5 8.574 -7.644 -27.740 1.00 3.21 H new ATOM 0 HD2 HIS A 5 5.787 -8.219 -28.105 1.00 5.33 H new ATOM 0 HE1 HIS A 5 5.848 -7.699 -32.310 1.00 34.40 H new ATOM 0 HE2 HIS A 5 4.491 -8.548 -30.340 1.00 24.41 H new ATOM 81 N HIS A 6 9.664 -5.087 -26.019 1.00 3.01 N ATOM 82 CA HIS A 6 10.868 -4.651 -25.293 1.00 60.32 C ATOM 83 C HIS A 6 11.235 -5.605 -24.143 1.00 4.20 C ATOM 84 O HIS A 6 10.419 -6.417 -23.709 1.00 4.32 O ATOM 85 CB HIS A 6 10.669 -3.233 -24.742 1.00 71.01 C ATOM 86 CG HIS A 6 10.380 -2.211 -25.801 1.00 23.01 C ATOM 87 ND1 HIS A 6 11.195 -2.008 -26.892 1.00 3.31 N ATOM 88 CD2 HIS A 6 9.358 -1.335 -25.931 1.00 52.50 C ATOM 89 CE1 HIS A 6 10.692 -1.053 -27.643 1.00 43.42 C ATOM 90 NE2 HIS A 6 9.576 -0.623 -27.086 1.00 73.14 N ATOM 0 H HIS A 6 8.905 -5.411 -25.419 1.00 3.01 H new ATOM 0 HA HIS A 6 11.692 -4.660 -26.006 1.00 60.32 H new ATOM 0 HB2 HIS A 6 9.848 -3.243 -24.025 1.00 71.01 H new ATOM 0 HB3 HIS A 6 11.565 -2.935 -24.197 1.00 71.01 H new ATOM 0 HD2 HIS A 6 8.525 -1.217 -25.253 1.00 52.50 H new ATOM 0 HE1 HIS A 6 11.121 -0.682 -28.562 1.00 43.42 H new ATOM 0 HE2 HIS A 6 8.975 0.115 -27.452 1.00 73.14 H new ATOM 99 N HIS A 7 12.478 -5.497 -23.661 1.00 70.42 N ATOM 100 CA HIS A 7 12.944 -6.297 -22.521 1.00 24.32 C ATOM 101 C HIS A 7 12.137 -5.986 -21.246 1.00 14.03 C ATOM 102 O HIS A 7 11.744 -4.845 -21.013 1.00 63.41 O ATOM 103 CB HIS A 7 14.445 -6.068 -22.277 1.00 30.23 C ATOM 104 CG HIS A 7 14.828 -4.628 -22.095 1.00 3.04 C ATOM 105 ND1 HIS A 7 15.243 -3.829 -23.135 1.00 3.42 N ATOM 106 CD2 HIS A 7 14.867 -3.845 -20.987 1.00 25.43 C ATOM 107 CE1 HIS A 7 15.520 -2.624 -22.683 1.00 40.33 C ATOM 108 NE2 HIS A 7 15.300 -2.604 -21.383 1.00 3.34 N ATOM 0 H HIS A 7 13.180 -4.863 -24.042 1.00 70.42 H new ATOM 0 HA HIS A 7 12.786 -7.347 -22.767 1.00 24.32 H new ATOM 0 HB2 HIS A 7 14.747 -6.627 -21.391 1.00 30.23 H new ATOM 0 HB3 HIS A 7 15.005 -6.477 -23.118 1.00 30.23 H new ATOM 0 HD2 HIS A 7 14.606 -4.143 -19.982 1.00 25.43 H new ATOM 0 HE1 HIS A 7 15.869 -1.792 -23.277 1.00 40.33 H new ATOM 0 HE2 HIS A 7 15.430 -1.798 -20.772 1.00 3.34 H new ATOM 117 N HIS A 8 11.916 -7.009 -20.418 1.00 62.32 N ATOM 118 CA HIS A 8 11.027 -6.898 -19.248 1.00 34.11 C ATOM 119 C HIS A 8 11.508 -5.873 -18.200 1.00 24.23 C ATOM 120 O HIS A 8 10.690 -5.214 -17.557 1.00 42.43 O ATOM 121 CB HIS A 8 10.829 -8.279 -18.590 1.00 61.23 C ATOM 122 CG HIS A 8 12.093 -8.933 -18.100 1.00 21.35 C ATOM 123 ND1 HIS A 8 12.769 -9.895 -18.820 1.00 3.42 N ATOM 124 CD2 HIS A 8 12.789 -8.781 -16.945 1.00 71.40 C ATOM 125 CE1 HIS A 8 13.817 -10.304 -18.137 1.00 21.22 C ATOM 126 NE2 HIS A 8 13.854 -9.646 -17.000 1.00 62.12 N ATOM 0 H HIS A 8 12.340 -7.930 -20.533 1.00 62.32 H new ATOM 0 HA HIS A 8 10.074 -6.527 -19.626 1.00 34.11 H new ATOM 0 HB2 HIS A 8 10.144 -8.170 -17.749 1.00 61.23 H new ATOM 0 HB3 HIS A 8 10.349 -8.943 -19.309 1.00 61.23 H new ATOM 0 HD2 HIS A 8 12.550 -8.107 -16.136 1.00 71.40 H new ATOM 0 HE1 HIS A 8 14.526 -11.053 -18.457 1.00 21.22 H new ATOM 0 HE2 HIS A 8 14.561 -9.760 -16.274 1.00 62.12 H new ATOM 135 N SER A 9 12.824 -5.731 -18.030 1.00 65.11 N ATOM 136 CA SER A 9 13.374 -4.873 -16.959 1.00 64.52 C ATOM 137 C SER A 9 13.231 -3.376 -17.268 1.00 74.12 C ATOM 138 O SER A 9 13.966 -2.828 -18.094 1.00 63.04 O ATOM 139 CB SER A 9 14.851 -5.203 -16.698 1.00 51.30 C ATOM 140 OG SER A 9 15.380 -4.421 -15.634 1.00 51.23 O ATOM 0 H SER A 9 13.528 -6.190 -18.608 1.00 65.11 H new ATOM 0 HA SER A 9 12.787 -5.086 -16.066 1.00 64.52 H new ATOM 0 HB2 SER A 9 14.951 -6.261 -16.458 1.00 51.30 H new ATOM 0 HB3 SER A 9 15.430 -5.025 -17.604 1.00 51.30 H new ATOM 0 HG SER A 9 16.321 -4.656 -15.492 1.00 51.23 H new ATOM 146 N HIS A 10 12.263 -2.730 -16.610 1.00 72.13 N ATOM 147 CA HIS A 10 12.101 -1.267 -16.663 1.00 61.52 C ATOM 148 C HIS A 10 10.957 -0.822 -15.728 1.00 3.41 C ATOM 149 O HIS A 10 9.776 -1.014 -16.041 1.00 12.14 O ATOM 150 CB HIS A 10 11.834 -0.784 -18.101 1.00 3.44 C ATOM 151 CG HIS A 10 12.167 0.664 -18.320 1.00 41.21 C ATOM 152 ND1 HIS A 10 11.269 1.695 -18.131 1.00 13.10 N ATOM 153 CD2 HIS A 10 13.323 1.251 -18.715 1.00 20.12 C ATOM 154 CE1 HIS A 10 11.859 2.843 -18.401 1.00 33.34 C ATOM 155 NE2 HIS A 10 13.100 2.602 -18.756 1.00 30.00 N ATOM 0 H HIS A 10 11.571 -3.201 -16.027 1.00 72.13 H new ATOM 0 HA HIS A 10 13.033 -0.814 -16.325 1.00 61.52 H new ATOM 0 HB2 HIS A 10 12.417 -1.391 -18.794 1.00 3.44 H new ATOM 0 HB3 HIS A 10 10.783 -0.947 -18.341 1.00 3.44 H new ATOM 0 HD2 HIS A 10 14.248 0.747 -18.953 1.00 20.12 H new ATOM 0 HE1 HIS A 10 11.399 3.818 -18.340 1.00 33.34 H new ATOM 0 HE2 HIS A 10 13.788 3.308 -19.020 1.00 30.00 H new ATOM 164 N MET A 11 11.324 -0.235 -14.586 1.00 20.21 N ATOM 165 CA MET A 11 10.362 0.152 -13.536 1.00 61.40 C ATOM 166 C MET A 11 9.226 1.048 -14.070 1.00 43.45 C ATOM 167 O MET A 11 9.476 2.098 -14.669 1.00 0.54 O ATOM 168 CB MET A 11 11.091 0.874 -12.392 1.00 3.01 C ATOM 169 CG MET A 11 12.163 0.033 -11.709 1.00 42.35 C ATOM 170 SD MET A 11 13.490 -0.455 -12.833 1.00 60.44 S ATOM 171 CE MET A 11 14.575 -1.347 -11.718 1.00 34.14 C ATOM 0 H MET A 11 12.293 -0.012 -14.358 1.00 20.21 H new ATOM 0 HA MET A 11 9.907 -0.769 -13.170 1.00 61.40 H new ATOM 0 HB2 MET A 11 11.551 1.781 -12.784 1.00 3.01 H new ATOM 0 HB3 MET A 11 10.358 1.184 -11.647 1.00 3.01 H new ATOM 0 HG2 MET A 11 12.586 0.597 -10.878 1.00 42.35 H new ATOM 0 HG3 MET A 11 11.703 -0.861 -11.287 1.00 42.35 H new ATOM 0 HE1 MET A 11 15.443 -1.711 -12.268 1.00 34.14 H new ATOM 0 HE2 MET A 11 14.904 -0.681 -10.920 1.00 34.14 H new ATOM 0 HE3 MET A 11 14.038 -2.192 -11.287 1.00 34.14 H new ATOM 181 N LYS A 12 7.983 0.633 -13.831 1.00 23.35 N ATOM 182 CA LYS A 12 6.807 1.389 -14.285 1.00 62.41 C ATOM 183 C LYS A 12 6.481 2.557 -13.344 1.00 44.35 C ATOM 184 O LYS A 12 6.648 2.454 -12.127 1.00 45.22 O ATOM 185 CB LYS A 12 5.580 0.468 -14.377 1.00 54.33 C ATOM 186 CG LYS A 12 5.756 -0.712 -15.325 1.00 21.42 C ATOM 187 CD LYS A 12 6.044 -0.259 -16.753 1.00 14.14 C ATOM 188 CE LYS A 12 6.350 -1.444 -17.663 1.00 4.31 C ATOM 189 NZ LYS A 12 7.435 -2.298 -17.109 1.00 32.23 N ATOM 0 H LYS A 12 7.759 -0.224 -13.325 1.00 23.35 H new ATOM 0 HA LYS A 12 7.047 1.791 -15.269 1.00 62.41 H new ATOM 0 HB2 LYS A 12 5.349 0.089 -13.382 1.00 54.33 H new ATOM 0 HB3 LYS A 12 4.722 1.056 -14.702 1.00 54.33 H new ATOM 0 HG2 LYS A 12 6.573 -1.342 -14.973 1.00 21.42 H new ATOM 0 HG3 LYS A 12 4.854 -1.324 -15.314 1.00 21.42 H new ATOM 0 HD2 LYS A 12 5.186 0.288 -17.143 1.00 14.14 H new ATOM 0 HD3 LYS A 12 6.889 0.430 -16.754 1.00 14.14 H new ATOM 0 HE2 LYS A 12 5.449 -2.042 -17.797 1.00 4.31 H new ATOM 0 HE3 LYS A 12 6.641 -1.080 -18.649 1.00 4.31 H new ATOM 0 HZ1 LYS A 12 7.779 -2.945 -17.847 1.00 32.23 H new ATOM 0 HZ2 LYS A 12 8.219 -1.696 -16.784 1.00 32.23 H new ATOM 0 HZ3 LYS A 12 7.067 -2.850 -16.308 1.00 32.23 H new ATOM 203 N PRO A 13 6.003 3.688 -13.899 1.00 54.20 N ATOM 204 CA PRO A 13 5.522 4.820 -13.090 1.00 75.33 C ATOM 205 C PRO A 13 4.293 4.448 -12.237 1.00 21.32 C ATOM 206 O PRO A 13 3.590 3.476 -12.530 1.00 4.31 O ATOM 207 CB PRO A 13 5.171 5.889 -14.142 1.00 22.42 C ATOM 208 CG PRO A 13 4.967 5.129 -15.411 1.00 62.02 C ATOM 209 CD PRO A 13 5.912 3.961 -15.345 1.00 3.33 C ATOM 0 HA PRO A 13 6.265 5.157 -12.367 1.00 75.33 H new ATOM 0 HB2 PRO A 13 4.272 6.438 -13.862 1.00 22.42 H new ATOM 0 HB3 PRO A 13 5.973 6.620 -14.244 1.00 22.42 H new ATOM 0 HG2 PRO A 13 3.935 4.792 -15.503 1.00 62.02 H new ATOM 0 HG3 PRO A 13 5.177 5.754 -16.279 1.00 62.02 H new ATOM 0 HD2 PRO A 13 5.529 3.101 -15.895 1.00 3.33 H new ATOM 0 HD3 PRO A 13 6.885 4.205 -15.772 1.00 3.33 H new ATOM 217 N LEU A 14 4.038 5.225 -11.184 1.00 64.42 N ATOM 218 CA LEU A 14 2.951 4.931 -10.238 1.00 3.53 C ATOM 219 C LEU A 14 1.604 4.710 -10.948 1.00 21.31 C ATOM 220 O LEU A 14 0.882 3.761 -10.644 1.00 74.34 O ATOM 221 CB LEU A 14 2.817 6.068 -9.215 1.00 50.33 C ATOM 222 CG LEU A 14 1.720 5.875 -8.155 1.00 64.11 C ATOM 223 CD1 LEU A 14 1.985 4.628 -7.312 1.00 42.55 C ATOM 224 CD2 LEU A 14 1.600 7.120 -7.279 1.00 43.00 C ATOM 0 H LEU A 14 4.569 6.067 -10.961 1.00 64.42 H new ATOM 0 HA LEU A 14 3.211 4.004 -9.728 1.00 3.53 H new ATOM 0 HB2 LEU A 14 3.773 6.191 -8.706 1.00 50.33 H new ATOM 0 HB3 LEU A 14 2.621 6.996 -9.752 1.00 50.33 H new ATOM 0 HG LEU A 14 0.769 5.728 -8.668 1.00 64.11 H new ATOM 0 HD11 LEU A 14 1.194 4.515 -6.570 1.00 42.55 H new ATOM 0 HD12 LEU A 14 2.005 3.750 -7.957 1.00 42.55 H new ATOM 0 HD13 LEU A 14 2.945 4.728 -6.806 1.00 42.55 H new ATOM 0 HD21 LEU A 14 0.819 6.967 -6.534 1.00 43.00 H new ATOM 0 HD22 LEU A 14 2.550 7.304 -6.777 1.00 43.00 H new ATOM 0 HD23 LEU A 14 1.345 7.979 -7.900 1.00 43.00 H new ATOM 236 N ALA A 15 1.279 5.582 -11.897 1.00 10.43 N ATOM 237 CA ALA A 15 0.004 5.510 -12.622 1.00 14.35 C ATOM 238 C ALA A 15 -0.168 4.186 -13.396 1.00 11.02 C ATOM 239 O ALA A 15 -1.293 3.768 -13.682 1.00 34.14 O ATOM 240 CB ALA A 15 -0.125 6.696 -13.570 1.00 62.41 C ATOM 0 H ALA A 15 1.881 6.353 -12.187 1.00 10.43 H new ATOM 0 HA ALA A 15 -0.791 5.546 -11.877 1.00 14.35 H new ATOM 0 HB1 ALA A 15 -1.074 6.634 -14.103 1.00 62.41 H new ATOM 0 HB2 ALA A 15 -0.090 7.624 -12.999 1.00 62.41 H new ATOM 0 HB3 ALA A 15 0.696 6.680 -14.287 1.00 62.41 H new ATOM 246 N GLU A 16 0.944 3.536 -13.739 1.00 75.35 N ATOM 247 CA GLU A 16 0.914 2.265 -14.479 1.00 72.24 C ATOM 248 C GLU A 16 0.770 1.057 -13.538 1.00 23.43 C ATOM 249 O GLU A 16 0.236 0.012 -13.930 1.00 44.43 O ATOM 250 CB GLU A 16 2.190 2.122 -15.329 1.00 62.34 C ATOM 251 CG GLU A 16 2.272 3.104 -16.494 1.00 21.20 C ATOM 252 CD GLU A 16 1.165 2.900 -17.515 1.00 2.43 C ATOM 253 OE1 GLU A 16 1.327 2.043 -18.408 1.00 15.21 O ATOM 254 OE2 GLU A 16 0.128 3.590 -17.431 1.00 12.55 O ATOM 0 H GLU A 16 1.883 3.867 -13.517 1.00 75.35 H new ATOM 0 HA GLU A 16 0.040 2.282 -15.130 1.00 72.24 H new ATOM 0 HB2 GLU A 16 3.060 2.262 -14.687 1.00 62.34 H new ATOM 0 HB3 GLU A 16 2.242 1.106 -15.719 1.00 62.34 H new ATOM 0 HG2 GLU A 16 2.222 4.122 -16.109 1.00 21.20 H new ATOM 0 HG3 GLU A 16 3.239 2.997 -16.986 1.00 21.20 H new ATOM 261 N GLN A 17 1.233 1.212 -12.298 1.00 63.03 N ATOM 262 CA GLN A 17 1.196 0.130 -11.307 1.00 71.33 C ATOM 263 C GLN A 17 -0.238 -0.388 -11.090 1.00 71.40 C ATOM 264 O GLN A 17 -1.133 0.365 -10.714 1.00 40.24 O ATOM 265 CB GLN A 17 1.792 0.612 -9.976 1.00 51.22 C ATOM 266 CG GLN A 17 3.262 1.022 -10.067 1.00 11.35 C ATOM 267 CD GLN A 17 4.183 -0.127 -10.451 1.00 24.12 C ATOM 268 OE1 GLN A 17 3.921 -1.287 -10.147 1.00 45.42 O ATOM 269 NE2 GLN A 17 5.278 0.186 -11.113 1.00 75.42 N ATOM 0 H GLN A 17 1.641 2.080 -11.952 1.00 63.03 H new ATOM 0 HA GLN A 17 1.795 -0.696 -11.691 1.00 71.33 H new ATOM 0 HB2 GLN A 17 1.210 1.460 -9.615 1.00 51.22 H new ATOM 0 HB3 GLN A 17 1.692 -0.182 -9.236 1.00 51.22 H new ATOM 0 HG2 GLN A 17 3.365 1.822 -10.800 1.00 11.35 H new ATOM 0 HG3 GLN A 17 3.579 1.428 -9.106 1.00 11.35 H new ATOM 0 HE21 GLN A 17 5.469 1.159 -11.352 1.00 75.42 H new ATOM 0 HE22 GLN A 17 5.935 -0.545 -11.387 1.00 75.42 H new ATOM 278 N ASP A 18 -0.436 -1.686 -11.322 1.00 63.22 N ATOM 279 CA ASP A 18 -1.768 -2.299 -11.263 1.00 63.12 C ATOM 280 C ASP A 18 -2.421 -2.202 -9.871 1.00 42.21 C ATOM 281 O ASP A 18 -3.646 -2.146 -9.762 1.00 1.13 O ATOM 282 CB ASP A 18 -1.683 -3.759 -11.717 1.00 63.12 C ATOM 283 CG ASP A 18 -1.360 -3.870 -13.195 1.00 32.30 C ATOM 284 OD1 ASP A 18 -2.305 -3.882 -14.014 1.00 13.13 O ATOM 285 OD2 ASP A 18 -0.165 -3.916 -13.552 1.00 14.13 O ATOM 0 H ASP A 18 0.313 -2.339 -11.554 1.00 63.22 H new ATOM 0 HA ASP A 18 -2.411 -1.735 -11.939 1.00 63.12 H new ATOM 0 HB2 ASP A 18 -0.918 -4.276 -11.138 1.00 63.12 H new ATOM 0 HB3 ASP A 18 -2.630 -4.259 -11.513 1.00 63.12 H new ATOM 290 N TRP A 19 -1.619 -2.181 -8.812 1.00 61.34 N ATOM 291 CA TRP A 19 -2.163 -2.052 -7.453 1.00 31.43 C ATOM 292 C TRP A 19 -2.613 -0.611 -7.141 1.00 11.54 C ATOM 293 O TRP A 19 -3.289 -0.369 -6.138 1.00 33.42 O ATOM 294 CB TRP A 19 -1.163 -2.567 -6.400 1.00 63.34 C ATOM 295 CG TRP A 19 0.268 -2.202 -6.671 1.00 74.41 C ATOM 296 CD1 TRP A 19 1.219 -3.009 -7.226 1.00 22.45 C ATOM 297 CD2 TRP A 19 0.915 -0.951 -6.397 1.00 32.22 C ATOM 298 NE1 TRP A 19 2.410 -2.340 -7.319 1.00 25.40 N ATOM 299 CE2 TRP A 19 2.252 -1.077 -6.817 1.00 22.32 C ATOM 300 CE3 TRP A 19 0.494 0.260 -5.844 1.00 63.42 C ATOM 301 CZ2 TRP A 19 3.170 -0.039 -6.698 1.00 52.35 C ATOM 302 CZ3 TRP A 19 1.408 1.291 -5.726 1.00 35.15 C ATOM 303 CH2 TRP A 19 2.733 1.136 -6.151 1.00 2.51 C ATOM 0 H TRP A 19 -0.602 -2.250 -8.860 1.00 61.34 H new ATOM 0 HA TRP A 19 -3.053 -2.679 -7.405 1.00 31.43 H new ATOM 0 HB2 TRP A 19 -1.447 -2.173 -5.424 1.00 63.34 H new ATOM 0 HB3 TRP A 19 -1.243 -3.652 -6.341 1.00 63.34 H new ATOM 0 HD1 TRP A 19 1.056 -4.028 -7.545 1.00 22.45 H new ATOM 0 HE1 TRP A 19 3.275 -2.722 -7.701 1.00 25.40 H new ATOM 0 HE3 TRP A 19 -0.526 0.389 -5.515 1.00 63.42 H new ATOM 0 HZ2 TRP A 19 4.192 -0.157 -7.026 1.00 52.35 H new ATOM 0 HZ3 TRP A 19 1.094 2.232 -5.299 1.00 35.15 H new ATOM 0 HH2 TRP A 19 3.423 1.960 -6.045 1.00 2.51 H new ATOM 314 N TYR A 20 -2.258 0.339 -8.005 1.00 3.15 N ATOM 315 CA TYR A 20 -2.728 1.722 -7.868 1.00 50.23 C ATOM 316 C TYR A 20 -4.060 1.912 -8.614 1.00 41.34 C ATOM 317 O TYR A 20 -4.106 1.916 -9.843 1.00 10.21 O ATOM 318 CB TYR A 20 -1.669 2.703 -8.396 1.00 55.13 C ATOM 319 CG TYR A 20 -2.092 4.162 -8.344 1.00 62.14 C ATOM 320 CD1 TYR A 20 -2.316 4.798 -7.127 1.00 23.20 C ATOM 321 CD2 TYR A 20 -2.272 4.903 -9.511 1.00 22.34 C ATOM 322 CE1 TYR A 20 -2.704 6.126 -7.074 1.00 13.30 C ATOM 323 CE2 TYR A 20 -2.659 6.230 -9.464 1.00 22.42 C ATOM 324 CZ TYR A 20 -2.874 6.837 -8.244 1.00 2.43 C ATOM 325 OH TYR A 20 -3.268 8.163 -8.197 1.00 42.43 O ATOM 0 H TYR A 20 -1.648 0.180 -8.807 1.00 3.15 H new ATOM 0 HA TYR A 20 -2.893 1.930 -6.811 1.00 50.23 H new ATOM 0 HB2 TYR A 20 -0.755 2.580 -7.816 1.00 55.13 H new ATOM 0 HB3 TYR A 20 -1.430 2.442 -9.427 1.00 55.13 H new ATOM 0 HD1 TYR A 20 -2.185 4.246 -6.208 1.00 23.20 H new ATOM 0 HD2 TYR A 20 -2.106 4.432 -10.469 1.00 22.34 H new ATOM 0 HE1 TYR A 20 -2.873 6.604 -6.120 1.00 13.30 H new ATOM 0 HE2 TYR A 20 -2.792 6.789 -10.379 1.00 22.42 H new ATOM 0 HH TYR A 20 -3.340 8.515 -9.109 1.00 42.43 H new ATOM 335 N HIS A 21 -5.146 2.064 -7.860 1.00 21.04 N ATOM 336 CA HIS A 21 -6.494 2.163 -8.445 1.00 13.23 C ATOM 337 C HIS A 21 -6.980 3.619 -8.550 1.00 72.40 C ATOM 338 O HIS A 21 -8.180 3.875 -8.630 1.00 64.34 O ATOM 339 CB HIS A 21 -7.480 1.339 -7.608 1.00 63.21 C ATOM 340 CG HIS A 21 -7.274 -0.144 -7.712 1.00 74.14 C ATOM 341 ND1 HIS A 21 -8.262 -1.007 -8.123 1.00 31.40 N ATOM 342 CD2 HIS A 21 -6.193 -0.921 -7.447 1.00 33.34 C ATOM 343 CE1 HIS A 21 -7.805 -2.241 -8.112 1.00 43.32 C ATOM 344 NE2 HIS A 21 -6.551 -2.222 -7.708 1.00 23.22 N ATOM 0 H HIS A 21 -5.126 2.122 -6.842 1.00 21.04 H new ATOM 0 HA HIS A 21 -6.443 1.767 -9.459 1.00 13.23 H new ATOM 0 HB2 HIS A 21 -7.391 1.636 -6.563 1.00 63.21 H new ATOM 0 HB3 HIS A 21 -8.496 1.578 -7.922 1.00 63.21 H new ATOM 0 HD2 HIS A 21 -5.230 -0.580 -7.096 1.00 33.34 H new ATOM 0 HE1 HIS A 21 -8.365 -3.122 -8.388 1.00 43.32 H new ATOM 0 HE2 HIS A 21 -5.947 -3.037 -7.606 1.00 23.22 H new ATOM 353 N GLY A 22 -6.046 4.565 -8.582 1.00 23.33 N ATOM 354 CA GLY A 22 -6.415 5.976 -8.634 1.00 52.22 C ATOM 355 C GLY A 22 -6.979 6.491 -7.315 1.00 42.44 C ATOM 356 O GLY A 22 -6.533 6.083 -6.241 1.00 2.02 O ATOM 0 H GLY A 22 -5.042 4.385 -8.573 1.00 23.33 H new ATOM 0 HA2 GLY A 22 -5.539 6.566 -8.904 1.00 52.22 H new ATOM 0 HA3 GLY A 22 -7.154 6.124 -9.422 1.00 52.22 H new ATOM 360 N ALA A 23 -7.960 7.385 -7.386 1.00 54.54 N ATOM 361 CA ALA A 23 -8.571 7.948 -6.181 1.00 21.40 C ATOM 362 C ALA A 23 -9.992 7.410 -5.950 1.00 24.33 C ATOM 363 O ALA A 23 -10.978 8.129 -6.117 1.00 1.51 O ATOM 364 CB ALA A 23 -8.570 9.473 -6.251 1.00 2.32 C ATOM 0 H ALA A 23 -8.350 7.736 -8.261 1.00 54.54 H new ATOM 0 HA ALA A 23 -7.970 7.634 -5.328 1.00 21.40 H new ATOM 0 HB1 ALA A 23 -9.027 9.879 -5.349 1.00 2.32 H new ATOM 0 HB2 ALA A 23 -7.544 9.833 -6.331 1.00 2.32 H new ATOM 0 HB3 ALA A 23 -9.138 9.798 -7.123 1.00 2.32 H new ATOM 370 N ILE A 24 -10.092 6.135 -5.577 1.00 73.25 N ATOM 371 CA ILE A 24 -11.388 5.514 -5.270 1.00 71.11 C ATOM 372 C ILE A 24 -11.718 5.619 -3.767 1.00 42.41 C ATOM 373 O ILE A 24 -10.814 5.672 -2.931 1.00 53.01 O ATOM 374 CB ILE A 24 -11.421 4.022 -5.700 1.00 44.14 C ATOM 375 CG1 ILE A 24 -10.432 3.187 -4.869 1.00 73.04 C ATOM 376 CG2 ILE A 24 -11.116 3.885 -7.191 1.00 21.04 C ATOM 377 CD1 ILE A 24 -10.469 1.704 -5.178 1.00 53.21 C ATOM 0 H ILE A 24 -9.293 5.508 -5.479 1.00 73.25 H new ATOM 0 HA ILE A 24 -12.140 6.061 -5.838 1.00 71.11 H new ATOM 0 HB ILE A 24 -12.425 3.640 -5.516 1.00 44.14 H new ATOM 0 HG12 ILE A 24 -9.422 3.559 -5.042 1.00 73.04 H new ATOM 0 HG13 ILE A 24 -10.648 3.333 -3.811 1.00 73.04 H new ATOM 0 HG21 ILE A 24 -11.144 2.832 -7.473 1.00 21.04 H new ATOM 0 HG22 ILE A 24 -11.861 4.435 -7.767 1.00 21.04 H new ATOM 0 HG23 ILE A 24 -10.126 4.290 -7.398 1.00 21.04 H new ATOM 0 HD11 ILE A 24 -9.744 1.184 -4.552 1.00 53.21 H new ATOM 0 HD12 ILE A 24 -11.467 1.315 -4.977 1.00 53.21 H new ATOM 0 HD13 ILE A 24 -10.222 1.545 -6.228 1.00 53.21 H new ATOM 389 N PRO A 25 -13.016 5.669 -3.401 1.00 43.21 N ATOM 390 CA PRO A 25 -13.446 5.727 -1.984 1.00 55.03 C ATOM 391 C PRO A 25 -12.990 4.505 -1.156 1.00 30.22 C ATOM 392 O PRO A 25 -12.702 3.437 -1.705 1.00 12.05 O ATOM 393 CB PRO A 25 -14.982 5.770 -2.082 1.00 71.32 C ATOM 394 CG PRO A 25 -15.273 6.245 -3.468 1.00 54.12 C ATOM 395 CD PRO A 25 -14.165 5.702 -4.327 1.00 41.32 C ATOM 0 HA PRO A 25 -13.007 6.581 -1.469 1.00 55.03 H new ATOM 0 HB2 PRO A 25 -15.416 4.786 -1.904 1.00 71.32 H new ATOM 0 HB3 PRO A 25 -15.405 6.444 -1.338 1.00 71.32 H new ATOM 0 HG2 PRO A 25 -16.244 5.886 -3.809 1.00 54.12 H new ATOM 0 HG3 PRO A 25 -15.303 7.334 -3.510 1.00 54.12 H new ATOM 0 HD2 PRO A 25 -14.402 4.710 -4.713 1.00 41.32 H new ATOM 0 HD3 PRO A 25 -13.971 6.341 -5.188 1.00 41.32 H new ATOM 403 N ARG A 26 -12.943 4.666 0.174 1.00 53.01 N ATOM 404 CA ARG A 26 -12.531 3.575 1.073 1.00 70.44 C ATOM 405 C ARG A 26 -13.403 2.329 0.871 1.00 44.23 C ATOM 406 O ARG A 26 -12.905 1.201 0.881 1.00 61.12 O ATOM 407 CB ARG A 26 -12.606 4.013 2.547 1.00 61.11 C ATOM 408 CG ARG A 26 -12.119 2.939 3.526 1.00 62.04 C ATOM 409 CD ARG A 26 -12.509 3.241 4.973 1.00 21.41 C ATOM 410 NE ARG A 26 -11.936 4.490 5.467 1.00 53.41 N ATOM 411 CZ ARG A 26 -11.575 4.688 6.708 1.00 33.43 C ATOM 412 NH1 ARG A 26 -11.656 3.740 7.586 1.00 33.45 N ATOM 413 NH2 ARG A 26 -11.124 5.843 7.069 1.00 53.24 N ATOM 0 H ARG A 26 -13.183 5.535 0.650 1.00 53.01 H new ATOM 0 HA ARG A 26 -11.498 3.329 0.825 1.00 70.44 H new ATOM 0 HB2 ARG A 26 -12.008 4.915 2.681 1.00 61.11 H new ATOM 0 HB3 ARG A 26 -13.636 4.274 2.789 1.00 61.11 H new ATOM 0 HG2 ARG A 26 -12.534 1.974 3.236 1.00 62.04 H new ATOM 0 HG3 ARG A 26 -11.035 2.854 3.456 1.00 62.04 H new ATOM 0 HD2 ARG A 26 -13.595 3.291 5.048 1.00 21.41 H new ATOM 0 HD3 ARG A 26 -12.182 2.420 5.611 1.00 21.41 H new ATOM 0 HE ARG A 26 -11.810 5.254 4.804 1.00 53.41 H new ATOM 0 HH11 ARG A 26 -12.006 2.821 7.314 1.00 33.45 H new ATOM 0 HH12 ARG A 26 -11.370 3.912 8.550 1.00 33.45 H new ATOM 0 HH21 ARG A 26 -11.050 6.598 6.387 1.00 53.24 H new ATOM 0 HH22 ARG A 26 -10.842 6.001 8.036 1.00 53.24 H new ATOM 427 N ILE A 27 -14.708 2.545 0.696 1.00 5.41 N ATOM 428 CA ILE A 27 -15.657 1.453 0.448 1.00 43.54 C ATOM 429 C ILE A 27 -15.200 0.574 -0.729 1.00 63.11 C ATOM 430 O ILE A 27 -15.001 -0.629 -0.582 1.00 73.14 O ATOM 431 CB ILE A 27 -17.076 2.001 0.158 1.00 3.43 C ATOM 432 CG1 ILE A 27 -17.560 2.872 1.330 1.00 20.33 C ATOM 433 CG2 ILE A 27 -18.061 0.859 -0.109 1.00 74.04 C ATOM 434 CD1 ILE A 27 -18.905 3.529 1.097 1.00 32.12 C ATOM 0 H ILE A 27 -15.136 3.471 0.721 1.00 5.41 H new ATOM 0 HA ILE A 27 -15.688 0.845 1.352 1.00 43.54 H new ATOM 0 HB ILE A 27 -17.028 2.618 -0.739 1.00 3.43 H new ATOM 0 HG12 ILE A 27 -17.619 2.255 2.227 1.00 20.33 H new ATOM 0 HG13 ILE A 27 -16.818 3.646 1.524 1.00 20.33 H new ATOM 0 HG21 ILE A 27 -19.050 1.271 -0.310 1.00 74.04 H new ATOM 0 HG22 ILE A 27 -17.726 0.283 -0.972 1.00 74.04 H new ATOM 0 HG23 ILE A 27 -18.109 0.209 0.764 1.00 74.04 H new ATOM 0 HD11 ILE A 27 -19.175 4.125 1.969 1.00 32.12 H new ATOM 0 HD12 ILE A 27 -18.848 4.174 0.220 1.00 32.12 H new ATOM 0 HD13 ILE A 27 -19.662 2.761 0.934 1.00 32.12 H new ATOM 446 N GLU A 28 -15.000 1.199 -1.885 1.00 64.30 N ATOM 447 CA GLU A 28 -14.560 0.492 -3.092 1.00 52.42 C ATOM 448 C GLU A 28 -13.239 -0.264 -2.863 1.00 23.21 C ATOM 449 O GLU A 28 -12.994 -1.310 -3.469 1.00 51.53 O ATOM 450 CB GLU A 28 -14.418 1.498 -4.242 1.00 40.43 C ATOM 451 CG GLU A 28 -15.736 2.175 -4.616 1.00 43.13 C ATOM 452 CD GLU A 28 -16.673 1.255 -5.379 1.00 42.10 C ATOM 453 OE1 GLU A 28 -17.379 0.446 -4.739 1.00 12.04 O ATOM 454 OE2 GLU A 28 -16.699 1.327 -6.626 1.00 41.12 O ATOM 0 H GLU A 28 -15.136 2.201 -2.016 1.00 64.30 H new ATOM 0 HA GLU A 28 -15.311 -0.255 -3.349 1.00 52.42 H new ATOM 0 HB2 GLU A 28 -13.692 2.261 -3.961 1.00 40.43 H new ATOM 0 HB3 GLU A 28 -14.019 0.985 -5.117 1.00 40.43 H new ATOM 0 HG2 GLU A 28 -16.232 2.521 -3.709 1.00 43.13 H new ATOM 0 HG3 GLU A 28 -15.527 3.057 -5.221 1.00 43.13 H new ATOM 461 N ALA A 29 -12.395 0.270 -1.980 1.00 14.11 N ATOM 462 CA ALA A 29 -11.136 -0.383 -1.615 1.00 14.32 C ATOM 463 C ALA A 29 -11.376 -1.654 -0.776 1.00 43.10 C ATOM 464 O ALA A 29 -10.842 -2.717 -1.081 1.00 54.23 O ATOM 465 CB ALA A 29 -10.231 0.594 -0.865 1.00 62.54 C ATOM 0 H ALA A 29 -12.561 1.156 -1.502 1.00 14.11 H new ATOM 0 HA ALA A 29 -10.640 -0.689 -2.536 1.00 14.32 H new ATOM 0 HB1 ALA A 29 -9.299 0.096 -0.600 1.00 62.54 H new ATOM 0 HB2 ALA A 29 -10.015 1.452 -1.502 1.00 62.54 H new ATOM 0 HB3 ALA A 29 -10.733 0.932 0.042 1.00 62.54 H new ATOM 471 N GLN A 30 -12.201 -1.547 0.270 1.00 52.13 N ATOM 472 CA GLN A 30 -12.449 -2.684 1.172 1.00 54.32 C ATOM 473 C GLN A 30 -13.276 -3.795 0.505 1.00 51.32 C ATOM 474 O GLN A 30 -13.081 -4.976 0.793 1.00 41.44 O ATOM 475 CB GLN A 30 -13.156 -2.227 2.459 1.00 71.54 C ATOM 476 CG GLN A 30 -14.467 -1.483 2.226 1.00 60.31 C ATOM 477 CD GLN A 30 -15.303 -1.357 3.487 1.00 62.25 C ATOM 478 OE1 GLN A 30 -15.129 -0.433 4.277 1.00 43.42 O ATOM 479 NE2 GLN A 30 -16.242 -2.262 3.670 1.00 1.12 N ATOM 0 H GLN A 30 -12.706 -0.695 0.515 1.00 52.13 H new ATOM 0 HA GLN A 30 -11.470 -3.093 1.420 1.00 54.32 H new ATOM 0 HB2 GLN A 30 -13.353 -3.100 3.081 1.00 71.54 H new ATOM 0 HB3 GLN A 30 -12.481 -1.582 3.021 1.00 71.54 H new ATOM 0 HG2 GLN A 30 -14.251 -0.488 1.838 1.00 60.31 H new ATOM 0 HG3 GLN A 30 -15.045 -2.004 1.463 1.00 60.31 H new ATOM 0 HE21 GLN A 30 -16.361 -3.017 2.995 1.00 1.12 H new ATOM 0 HE22 GLN A 30 -16.851 -2.208 4.487 1.00 1.12 H new ATOM 488 N GLU A 31 -14.190 -3.412 -0.385 1.00 63.41 N ATOM 489 CA GLU A 31 -15.087 -4.372 -1.042 1.00 15.34 C ATOM 490 C GLU A 31 -14.324 -5.397 -1.902 1.00 32.44 C ATOM 491 O GLU A 31 -14.824 -6.493 -2.162 1.00 3.30 O ATOM 492 CB GLU A 31 -16.129 -3.630 -1.895 1.00 23.44 C ATOM 493 CG GLU A 31 -17.065 -2.738 -1.084 1.00 45.02 C ATOM 494 CD GLU A 31 -17.823 -3.502 -0.006 1.00 41.41 C ATOM 495 OE1 GLU A 31 -18.801 -4.201 -0.340 1.00 43.03 O ATOM 496 OE2 GLU A 31 -17.437 -3.417 1.183 1.00 31.21 O ATOM 0 H GLU A 31 -14.332 -2.443 -0.671 1.00 63.41 H new ATOM 0 HA GLU A 31 -15.594 -4.929 -0.254 1.00 15.34 H new ATOM 0 HB2 GLU A 31 -15.611 -3.020 -2.635 1.00 23.44 H new ATOM 0 HB3 GLU A 31 -16.723 -4.361 -2.444 1.00 23.44 H new ATOM 0 HG2 GLU A 31 -16.486 -1.940 -0.618 1.00 45.02 H new ATOM 0 HG3 GLU A 31 -17.779 -2.263 -1.756 1.00 45.02 H new ATOM 503 N LEU A 32 -13.117 -5.047 -2.346 1.00 30.42 N ATOM 504 CA LEU A 32 -12.286 -5.989 -3.108 1.00 64.14 C ATOM 505 C LEU A 32 -11.322 -6.760 -2.180 1.00 43.24 C ATOM 506 O LEU A 32 -10.772 -7.793 -2.559 1.00 13.54 O ATOM 507 CB LEU A 32 -11.534 -5.255 -4.242 1.00 21.42 C ATOM 508 CG LEU A 32 -10.471 -4.222 -3.820 1.00 71.11 C ATOM 509 CD1 LEU A 32 -9.125 -4.894 -3.562 1.00 52.55 C ATOM 510 CD2 LEU A 32 -10.335 -3.126 -4.876 1.00 24.11 C ATOM 0 H LEU A 32 -12.694 -4.131 -2.196 1.00 30.42 H new ATOM 0 HA LEU A 32 -12.940 -6.728 -3.571 1.00 64.14 H new ATOM 0 HB2 LEU A 32 -11.049 -6.004 -4.868 1.00 21.42 H new ATOM 0 HB3 LEU A 32 -12.271 -4.748 -4.865 1.00 21.42 H new ATOM 0 HG LEU A 32 -10.800 -3.762 -2.888 1.00 71.11 H new ATOM 0 HD11 LEU A 32 -8.394 -4.142 -3.266 1.00 52.55 H new ATOM 0 HD12 LEU A 32 -9.232 -5.629 -2.765 1.00 52.55 H new ATOM 0 HD13 LEU A 32 -8.786 -5.391 -4.471 1.00 52.55 H new ATOM 0 HD21 LEU A 32 -9.580 -2.407 -4.559 1.00 24.11 H new ATOM 0 HD22 LEU A 32 -10.037 -3.571 -5.825 1.00 24.11 H new ATOM 0 HD23 LEU A 32 -11.291 -2.618 -4.998 1.00 24.11 H new ATOM 522 N LEU A 33 -11.144 -6.255 -0.956 1.00 3.35 N ATOM 523 CA LEU A 33 -10.316 -6.921 0.061 1.00 21.52 C ATOM 524 C LEU A 33 -11.155 -7.938 0.852 1.00 61.44 C ATOM 525 O LEU A 33 -12.025 -7.546 1.631 1.00 42.43 O ATOM 526 CB LEU A 33 -9.742 -5.880 1.039 1.00 13.43 C ATOM 527 CG LEU A 33 -8.993 -4.699 0.402 1.00 24.31 C ATOM 528 CD1 LEU A 33 -8.553 -3.701 1.468 1.00 35.04 C ATOM 529 CD2 LEU A 33 -7.793 -5.183 -0.399 1.00 23.34 C ATOM 0 H LEU A 33 -11.565 -5.381 -0.641 1.00 3.35 H new ATOM 0 HA LEU A 33 -9.502 -7.438 -0.446 1.00 21.52 H new ATOM 0 HB2 LEU A 33 -10.561 -5.484 1.639 1.00 13.43 H new ATOM 0 HB3 LEU A 33 -9.063 -6.389 1.723 1.00 13.43 H new ATOM 0 HG LEU A 33 -9.678 -4.197 -0.281 1.00 24.31 H new ATOM 0 HD11 LEU A 33 -8.025 -2.873 0.995 1.00 35.04 H new ATOM 0 HD12 LEU A 33 -9.429 -3.320 1.993 1.00 35.04 H new ATOM 0 HD13 LEU A 33 -7.891 -4.196 2.178 1.00 35.04 H new ATOM 0 HD21 LEU A 33 -7.280 -4.328 -0.839 1.00 23.34 H new ATOM 0 HD22 LEU A 33 -7.108 -5.717 0.259 1.00 23.34 H new ATOM 0 HD23 LEU A 33 -8.130 -5.851 -1.191 1.00 23.34 H new ATOM 541 N LYS A 34 -10.905 -9.236 0.664 1.00 34.20 N ATOM 542 CA LYS A 34 -11.713 -10.263 1.348 1.00 54.21 C ATOM 543 C LYS A 34 -10.909 -11.517 1.748 1.00 1.14 C ATOM 544 O LYS A 34 -11.408 -12.362 2.498 1.00 33.33 O ATOM 545 CB LYS A 34 -12.922 -10.637 0.479 1.00 65.01 C ATOM 546 CG LYS A 34 -12.566 -11.084 -0.939 1.00 31.42 C ATOM 547 CD LYS A 34 -13.757 -10.934 -1.886 1.00 14.13 C ATOM 548 CE LYS A 34 -14.172 -9.471 -2.029 1.00 70.11 C ATOM 549 NZ LYS A 34 -15.368 -9.305 -2.893 1.00 21.22 N ATOM 0 H LYS A 34 -10.169 -9.601 0.060 1.00 34.20 H new ATOM 0 HA LYS A 34 -12.056 -9.825 2.285 1.00 54.21 H new ATOM 0 HB2 LYS A 34 -13.474 -11.437 0.971 1.00 65.01 H new ATOM 0 HB3 LYS A 34 -13.591 -9.778 0.419 1.00 65.01 H new ATOM 0 HG2 LYS A 34 -11.728 -10.493 -1.309 1.00 31.42 H new ATOM 0 HG3 LYS A 34 -12.240 -12.124 -0.923 1.00 31.42 H new ATOM 0 HD2 LYS A 34 -13.499 -11.338 -2.865 1.00 14.13 H new ATOM 0 HD3 LYS A 34 -14.598 -11.518 -1.511 1.00 14.13 H new ATOM 0 HE2 LYS A 34 -14.379 -9.057 -1.042 1.00 70.11 H new ATOM 0 HE3 LYS A 34 -13.343 -8.900 -2.447 1.00 70.11 H new ATOM 0 HZ1 LYS A 34 -15.611 -8.296 -2.960 1.00 21.22 H new ATOM 0 HZ2 LYS A 34 -15.164 -9.675 -3.843 1.00 21.22 H new ATOM 0 HZ3 LYS A 34 -16.168 -9.827 -2.482 1.00 21.22 H new ATOM 563 N LYS A 35 -9.680 -11.644 1.258 1.00 70.43 N ATOM 564 CA LYS A 35 -8.782 -12.718 1.701 1.00 30.32 C ATOM 565 C LYS A 35 -7.416 -12.148 2.106 1.00 1.45 C ATOM 566 O LYS A 35 -7.018 -11.073 1.649 1.00 64.43 O ATOM 567 CB LYS A 35 -8.610 -13.789 0.610 1.00 62.51 C ATOM 568 CG LYS A 35 -7.982 -13.271 -0.678 1.00 24.32 C ATOM 569 CD LYS A 35 -7.669 -14.403 -1.653 1.00 41.01 C ATOM 570 CE LYS A 35 -7.102 -13.873 -2.965 1.00 12.34 C ATOM 571 NZ LYS A 35 -5.949 -12.961 -2.748 1.00 63.22 N ATOM 0 H LYS A 35 -9.279 -11.022 0.556 1.00 70.43 H new ATOM 0 HA LYS A 35 -9.237 -13.192 2.571 1.00 30.32 H new ATOM 0 HB2 LYS A 35 -7.993 -14.597 1.003 1.00 62.51 H new ATOM 0 HB3 LYS A 35 -9.586 -14.217 0.379 1.00 62.51 H new ATOM 0 HG2 LYS A 35 -8.659 -12.560 -1.152 1.00 24.32 H new ATOM 0 HG3 LYS A 35 -7.065 -12.730 -0.443 1.00 24.32 H new ATOM 0 HD2 LYS A 35 -6.954 -15.089 -1.198 1.00 41.01 H new ATOM 0 HD3 LYS A 35 -8.576 -14.974 -1.852 1.00 41.01 H new ATOM 0 HE2 LYS A 35 -6.789 -14.710 -3.589 1.00 12.34 H new ATOM 0 HE3 LYS A 35 -7.884 -13.345 -3.510 1.00 12.34 H new ATOM 0 HZ1 LYS A 35 -5.267 -13.073 -3.525 1.00 63.22 H new ATOM 0 HZ2 LYS A 35 -6.285 -11.977 -2.721 1.00 63.22 H new ATOM 0 HZ3 LYS A 35 -5.487 -13.194 -1.846 1.00 63.22 H new ATOM 585 N GLN A 36 -6.697 -12.865 2.967 1.00 23.23 N ATOM 586 CA GLN A 36 -5.412 -12.390 3.481 1.00 14.32 C ATOM 587 C GLN A 36 -4.396 -12.178 2.349 1.00 4.15 C ATOM 588 O GLN A 36 -3.904 -13.137 1.748 1.00 5.22 O ATOM 589 CB GLN A 36 -4.853 -13.376 4.516 1.00 63.12 C ATOM 590 CG GLN A 36 -3.547 -12.914 5.150 1.00 74.11 C ATOM 591 CD GLN A 36 -3.025 -13.883 6.195 1.00 31.25 C ATOM 592 OE1 GLN A 36 -2.257 -14.793 5.894 1.00 60.42 O ATOM 593 NE2 GLN A 36 -3.443 -13.702 7.431 1.00 1.14 N ATOM 0 H GLN A 36 -6.981 -13.777 3.324 1.00 23.23 H new ATOM 0 HA GLN A 36 -5.583 -11.427 3.962 1.00 14.32 H new ATOM 0 HB2 GLN A 36 -5.595 -13.527 5.300 1.00 63.12 H new ATOM 0 HB3 GLN A 36 -4.694 -14.342 4.037 1.00 63.12 H new ATOM 0 HG2 GLN A 36 -2.795 -12.787 4.371 1.00 74.11 H new ATOM 0 HG3 GLN A 36 -3.697 -11.937 5.610 1.00 74.11 H new ATOM 0 HE21 GLN A 36 -4.081 -12.936 7.647 1.00 1.14 H new ATOM 0 HE22 GLN A 36 -3.129 -14.328 8.172 1.00 1.14 H new ATOM 602 N GLY A 37 -4.100 -10.916 2.050 1.00 5.50 N ATOM 603 CA GLY A 37 -3.126 -10.607 1.014 1.00 41.45 C ATOM 604 C GLY A 37 -3.565 -9.499 0.068 1.00 12.34 C ATOM 605 O GLY A 37 -2.734 -8.734 -0.412 1.00 5.34 O ATOM 0 H GLY A 37 -4.515 -10.103 2.505 1.00 5.50 H new ATOM 0 HA2 GLY A 37 -2.187 -10.318 1.486 1.00 41.45 H new ATOM 0 HA3 GLY A 37 -2.927 -11.509 0.435 1.00 41.45 H new ATOM 609 N ASP A 38 -4.867 -9.423 -0.214 1.00 43.01 N ATOM 610 CA ASP A 38 -5.400 -8.388 -1.110 1.00 70.03 C ATOM 611 C ASP A 38 -4.956 -6.988 -0.655 1.00 64.33 C ATOM 612 O ASP A 38 -5.176 -6.613 0.496 1.00 23.21 O ATOM 613 CB ASP A 38 -6.939 -8.429 -1.145 1.00 74.10 C ATOM 614 CG ASP A 38 -7.513 -9.784 -1.525 1.00 63.52 C ATOM 615 OD1 ASP A 38 -6.933 -10.467 -2.397 1.00 4.23 O ATOM 616 OD2 ASP A 38 -8.556 -10.166 -0.953 1.00 64.45 O ATOM 0 H ASP A 38 -5.570 -10.060 0.161 1.00 43.01 H new ATOM 0 HA ASP A 38 -5.008 -8.590 -2.107 1.00 70.03 H new ATOM 0 HB2 ASP A 38 -7.322 -8.146 -0.165 1.00 74.10 H new ATOM 0 HB3 ASP A 38 -7.296 -7.683 -1.855 1.00 74.10 H new ATOM 621 N PHE A 39 -4.331 -6.217 -1.547 1.00 13.24 N ATOM 622 CA PHE A 39 -3.956 -4.837 -1.213 1.00 24.12 C ATOM 623 C PHE A 39 -3.993 -3.910 -2.435 1.00 21.01 C ATOM 624 O PHE A 39 -3.789 -4.342 -3.573 1.00 53.51 O ATOM 625 CB PHE A 39 -2.570 -4.778 -0.540 1.00 71.42 C ATOM 626 CG PHE A 39 -1.390 -5.021 -1.454 1.00 3.43 C ATOM 627 CD1 PHE A 39 -0.918 -6.307 -1.680 1.00 23.11 C ATOM 628 CD2 PHE A 39 -0.737 -3.958 -2.067 1.00 24.03 C ATOM 629 CE1 PHE A 39 0.175 -6.526 -2.498 1.00 20.42 C ATOM 630 CE2 PHE A 39 0.353 -4.175 -2.888 1.00 33.24 C ATOM 631 CZ PHE A 39 0.811 -5.460 -3.102 1.00 73.04 C ATOM 0 H PHE A 39 -4.077 -6.514 -2.489 1.00 13.24 H new ATOM 0 HA PHE A 39 -4.703 -4.479 -0.505 1.00 24.12 H new ATOM 0 HB2 PHE A 39 -2.452 -3.799 -0.076 1.00 71.42 H new ATOM 0 HB3 PHE A 39 -2.544 -5.516 0.262 1.00 71.42 H new ATOM 0 HD1 PHE A 39 -1.410 -7.146 -1.211 1.00 23.11 H new ATOM 0 HD2 PHE A 39 -1.086 -2.950 -1.899 1.00 24.03 H new ATOM 0 HE1 PHE A 39 0.531 -7.532 -2.665 1.00 20.42 H new ATOM 0 HE2 PHE A 39 0.847 -3.340 -3.362 1.00 33.24 H new ATOM 0 HZ PHE A 39 1.665 -5.631 -3.741 1.00 73.04 H new ATOM 641 N LEU A 40 -4.256 -2.629 -2.178 1.00 31.30 N ATOM 642 CA LEU A 40 -4.256 -1.602 -3.223 1.00 41.30 C ATOM 643 C LEU A 40 -3.855 -0.234 -2.653 1.00 23.04 C ATOM 644 O LEU A 40 -4.042 0.040 -1.464 1.00 72.55 O ATOM 645 CB LEU A 40 -5.642 -1.481 -3.883 1.00 40.34 C ATOM 646 CG LEU A 40 -6.748 -0.854 -3.005 1.00 34.14 C ATOM 647 CD1 LEU A 40 -7.904 -0.353 -3.864 1.00 11.44 C ATOM 648 CD2 LEU A 40 -7.258 -1.850 -1.969 1.00 52.51 C ATOM 0 H LEU A 40 -4.474 -2.274 -1.247 1.00 31.30 H new ATOM 0 HA LEU A 40 -3.526 -1.909 -3.972 1.00 41.30 H new ATOM 0 HB2 LEU A 40 -5.542 -0.885 -4.790 1.00 40.34 H new ATOM 0 HB3 LEU A 40 -5.967 -2.475 -4.189 1.00 40.34 H new ATOM 0 HG LEU A 40 -6.310 -0.005 -2.480 1.00 34.14 H new ATOM 0 HD11 LEU A 40 -8.670 0.084 -3.224 1.00 11.44 H new ATOM 0 HD12 LEU A 40 -7.539 0.402 -4.561 1.00 11.44 H new ATOM 0 HD13 LEU A 40 -8.330 -1.186 -4.423 1.00 11.44 H new ATOM 0 HD21 LEU A 40 -8.035 -1.381 -1.366 1.00 52.51 H new ATOM 0 HD22 LEU A 40 -7.669 -2.723 -2.475 1.00 52.51 H new ATOM 0 HD23 LEU A 40 -6.435 -2.158 -1.324 1.00 52.51 H new ATOM 660 N VAL A 41 -3.307 0.622 -3.506 1.00 64.41 N ATOM 661 CA VAL A 41 -3.003 2.007 -3.136 1.00 12.03 C ATOM 662 C VAL A 41 -3.965 2.975 -3.841 1.00 53.31 C ATOM 663 O VAL A 41 -4.158 2.905 -5.060 1.00 4.10 O ATOM 664 CB VAL A 41 -1.541 2.385 -3.491 1.00 15.24 C ATOM 665 CG1 VAL A 41 -1.258 3.858 -3.187 1.00 40.11 C ATOM 666 CG2 VAL A 41 -0.555 1.484 -2.749 1.00 4.44 C ATOM 0 H VAL A 41 -3.061 0.383 -4.467 1.00 64.41 H new ATOM 0 HA VAL A 41 -3.128 2.089 -2.056 1.00 12.03 H new ATOM 0 HB VAL A 41 -1.409 2.234 -4.562 1.00 15.24 H new ATOM 0 HG11 VAL A 41 -0.225 4.091 -3.447 1.00 40.11 H new ATOM 0 HG12 VAL A 41 -1.930 4.486 -3.772 1.00 40.11 H new ATOM 0 HG13 VAL A 41 -1.417 4.047 -2.125 1.00 40.11 H new ATOM 0 HG21 VAL A 41 0.464 1.766 -3.012 1.00 4.44 H new ATOM 0 HG22 VAL A 41 -0.697 1.597 -1.674 1.00 4.44 H new ATOM 0 HG23 VAL A 41 -0.728 0.445 -3.031 1.00 4.44 H new ATOM 676 N ARG A 42 -4.584 3.862 -3.068 1.00 54.43 N ATOM 677 CA ARG A 42 -5.491 4.876 -3.621 1.00 51.40 C ATOM 678 C ARG A 42 -5.006 6.287 -3.261 1.00 54.14 C ATOM 679 O ARG A 42 -4.132 6.448 -2.413 1.00 70.44 O ATOM 680 CB ARG A 42 -6.914 4.674 -3.078 1.00 33.12 C ATOM 681 CG ARG A 42 -7.060 5.032 -1.599 1.00 61.40 C ATOM 682 CD ARG A 42 -8.500 4.898 -1.113 1.00 43.01 C ATOM 683 NE ARG A 42 -8.707 5.575 0.172 1.00 4.10 N ATOM 684 CZ ARG A 42 -9.646 6.461 0.392 1.00 22.44 C ATOM 685 NH1 ARG A 42 -10.472 6.793 -0.546 1.00 4.33 N ATOM 686 NH2 ARG A 42 -9.754 7.024 1.553 1.00 54.40 N ATOM 0 H ARG A 42 -4.477 3.903 -2.054 1.00 54.43 H new ATOM 0 HA ARG A 42 -5.499 4.767 -4.705 1.00 51.40 H new ATOM 0 HB2 ARG A 42 -7.606 5.282 -3.661 1.00 33.12 H new ATOM 0 HB3 ARG A 42 -7.205 3.633 -3.222 1.00 33.12 H new ATOM 0 HG2 ARG A 42 -6.416 4.384 -1.005 1.00 61.40 H new ATOM 0 HG3 ARG A 42 -6.718 6.054 -1.439 1.00 61.40 H new ATOM 0 HD2 ARG A 42 -9.176 5.318 -1.858 1.00 43.01 H new ATOM 0 HD3 ARG A 42 -8.753 3.843 -1.013 1.00 43.01 H new ATOM 0 HE ARG A 42 -8.080 5.341 0.942 1.00 4.10 H new ATOM 0 HH11 ARG A 42 -10.396 6.364 -1.468 1.00 4.33 H new ATOM 0 HH12 ARG A 42 -11.200 7.484 -0.364 1.00 4.33 H new ATOM 0 HH21 ARG A 42 -9.106 6.778 2.301 1.00 54.40 H new ATOM 0 HH22 ARG A 42 -10.487 7.713 1.719 1.00 54.40 H new ATOM 700 N GLU A 43 -5.576 7.306 -3.898 1.00 70.44 N ATOM 701 CA GLU A 43 -5.271 8.696 -3.538 1.00 31.23 C ATOM 702 C GLU A 43 -6.497 9.367 -2.888 1.00 21.11 C ATOM 703 O GLU A 43 -7.640 9.045 -3.216 1.00 25.45 O ATOM 704 CB GLU A 43 -4.802 9.485 -4.772 1.00 73.45 C ATOM 705 CG GLU A 43 -4.042 10.764 -4.429 1.00 15.43 C ATOM 706 CD GLU A 43 -3.505 11.489 -5.653 1.00 33.52 C ATOM 707 OE1 GLU A 43 -2.969 10.820 -6.564 1.00 11.24 O ATOM 708 OE2 GLU A 43 -3.594 12.734 -5.703 1.00 14.52 O ATOM 0 H GLU A 43 -6.246 7.202 -4.660 1.00 70.44 H new ATOM 0 HA GLU A 43 -4.459 8.694 -2.810 1.00 31.23 H new ATOM 0 HB2 GLU A 43 -4.163 8.845 -5.380 1.00 73.45 H new ATOM 0 HB3 GLU A 43 -5.669 9.740 -5.381 1.00 73.45 H new ATOM 0 HG2 GLU A 43 -4.702 11.434 -3.878 1.00 15.43 H new ATOM 0 HG3 GLU A 43 -3.212 10.519 -3.767 1.00 15.43 H new ATOM 715 N SER A 44 -6.249 10.286 -1.962 1.00 45.32 N ATOM 716 CA SER A 44 -7.320 10.929 -1.183 1.00 71.42 C ATOM 717 C SER A 44 -8.029 12.043 -1.969 1.00 42.14 C ATOM 718 O SER A 44 -7.385 12.876 -2.608 1.00 23.43 O ATOM 719 CB SER A 44 -6.744 11.506 0.120 1.00 53.14 C ATOM 720 OG SER A 44 -7.749 12.117 0.918 1.00 53.54 O ATOM 0 H SER A 44 -5.311 10.610 -1.726 1.00 45.32 H new ATOM 0 HA SER A 44 -8.061 10.162 -0.960 1.00 71.42 H new ATOM 0 HB2 SER A 44 -6.263 10.710 0.688 1.00 53.14 H new ATOM 0 HB3 SER A 44 -5.973 12.239 -0.117 1.00 53.14 H new ATOM 0 HG SER A 44 -7.418 12.227 1.834 1.00 53.54 H new ATOM 726 N HIS A 45 -9.364 12.057 -1.916 1.00 21.31 N ATOM 727 CA HIS A 45 -10.150 13.137 -2.530 1.00 72.22 C ATOM 728 C HIS A 45 -10.061 14.421 -1.689 1.00 4.12 C ATOM 729 O HIS A 45 -9.988 15.529 -2.228 1.00 42.54 O ATOM 730 CB HIS A 45 -11.624 12.731 -2.689 1.00 40.11 C ATOM 731 CG HIS A 45 -11.878 11.727 -3.774 1.00 74.35 C ATOM 732 ND1 HIS A 45 -12.876 10.777 -3.701 1.00 3.13 N ATOM 733 CD2 HIS A 45 -11.288 11.551 -4.981 1.00 2.41 C ATOM 734 CE1 HIS A 45 -12.889 10.067 -4.810 1.00 2.45 C ATOM 735 NE2 HIS A 45 -11.938 10.512 -5.600 1.00 25.22 N ATOM 0 H HIS A 45 -9.923 11.338 -1.457 1.00 21.31 H new ATOM 0 HA HIS A 45 -9.730 13.325 -3.518 1.00 72.22 H new ATOM 0 HB2 HIS A 45 -11.980 12.323 -1.743 1.00 40.11 H new ATOM 0 HB3 HIS A 45 -12.214 13.625 -2.893 1.00 40.11 H new ATOM 0 HD2 HIS A 45 -10.462 12.121 -5.381 1.00 2.41 H new ATOM 0 HE1 HIS A 45 -13.567 9.256 -5.033 1.00 2.45 H new ATOM 0 HE2 HIS A 45 -11.718 10.144 -6.526 1.00 25.22 H new ATOM 744 N GLY A 46 -10.073 14.258 -0.369 1.00 43.03 N ATOM 745 CA GLY A 46 -9.973 15.399 0.534 1.00 40.11 C ATOM 746 C GLY A 46 -8.580 16.024 0.552 1.00 54.42 C ATOM 747 O GLY A 46 -8.437 17.244 0.649 1.00 45.31 O ATOM 0 H GLY A 46 -10.150 13.353 0.096 1.00 43.03 H new ATOM 0 HA2 GLY A 46 -10.701 16.155 0.238 1.00 40.11 H new ATOM 0 HA3 GLY A 46 -10.236 15.081 1.543 1.00 40.11 H new ATOM 751 N LYS A 47 -7.550 15.189 0.454 1.00 51.00 N ATOM 752 CA LYS A 47 -6.161 15.659 0.464 1.00 14.04 C ATOM 753 C LYS A 47 -5.398 15.178 -0.786 1.00 31.52 C ATOM 754 O LYS A 47 -4.880 14.061 -0.820 1.00 22.11 O ATOM 755 CB LYS A 47 -5.458 15.170 1.743 1.00 51.42 C ATOM 756 CG LYS A 47 -4.055 15.734 1.955 1.00 72.40 C ATOM 757 CD LYS A 47 -4.071 17.245 2.176 1.00 2.44 C ATOM 758 CE LYS A 47 -2.672 17.796 2.440 1.00 50.01 C ATOM 759 NZ LYS A 47 -2.687 19.266 2.667 1.00 34.41 N ATOM 0 H LYS A 47 -7.648 14.178 0.366 1.00 51.00 H new ATOM 0 HA LYS A 47 -6.166 16.749 0.449 1.00 14.04 H new ATOM 0 HB2 LYS A 47 -6.074 15.432 2.603 1.00 51.42 H new ATOM 0 HB3 LYS A 47 -5.397 14.082 1.715 1.00 51.42 H new ATOM 0 HG2 LYS A 47 -3.595 15.247 2.815 1.00 72.40 H new ATOM 0 HG3 LYS A 47 -3.436 15.501 1.088 1.00 72.40 H new ATOM 0 HD2 LYS A 47 -4.495 17.736 1.300 1.00 2.44 H new ATOM 0 HD3 LYS A 47 -4.720 17.482 3.019 1.00 2.44 H new ATOM 0 HE2 LYS A 47 -2.245 17.299 3.311 1.00 50.01 H new ATOM 0 HE3 LYS A 47 -2.026 17.566 1.593 1.00 50.01 H new ATOM 0 HZ1 LYS A 47 -1.718 19.600 2.842 1.00 34.41 H new ATOM 0 HZ2 LYS A 47 -3.071 19.743 1.826 1.00 34.41 H new ATOM 0 HZ3 LYS A 47 -3.283 19.484 3.491 1.00 34.41 H new ATOM 773 N PRO A 48 -5.340 16.010 -1.845 1.00 15.11 N ATOM 774 CA PRO A 48 -4.610 15.672 -3.083 1.00 64.51 C ATOM 775 C PRO A 48 -3.120 15.381 -2.828 1.00 14.34 C ATOM 776 O PRO A 48 -2.405 16.206 -2.253 1.00 3.23 O ATOM 777 CB PRO A 48 -4.777 16.928 -3.956 1.00 35.41 C ATOM 778 CG PRO A 48 -5.989 17.607 -3.412 1.00 24.13 C ATOM 779 CD PRO A 48 -5.982 17.335 -1.932 1.00 63.44 C ATOM 0 HA PRO A 48 -4.997 14.764 -3.546 1.00 64.51 H new ATOM 0 HB2 PRO A 48 -3.900 17.573 -3.894 1.00 35.41 H new ATOM 0 HB3 PRO A 48 -4.907 16.666 -5.006 1.00 35.41 H new ATOM 0 HG2 PRO A 48 -5.960 18.678 -3.613 1.00 24.13 H new ATOM 0 HG3 PRO A 48 -6.896 17.220 -3.876 1.00 24.13 H new ATOM 0 HD2 PRO A 48 -5.421 18.093 -1.384 1.00 63.44 H new ATOM 0 HD3 PRO A 48 -6.990 17.324 -1.518 1.00 63.44 H new ATOM 787 N GLY A 49 -2.655 14.214 -3.269 1.00 61.51 N ATOM 788 CA GLY A 49 -1.280 13.802 -2.999 1.00 70.04 C ATOM 789 C GLY A 49 -1.158 12.858 -1.802 1.00 53.35 C ATOM 790 O GLY A 49 -0.094 12.284 -1.565 1.00 41.44 O ATOM 0 H GLY A 49 -3.203 13.544 -3.809 1.00 61.51 H new ATOM 0 HA2 GLY A 49 -0.874 13.311 -3.884 1.00 70.04 H new ATOM 0 HA3 GLY A 49 -0.671 14.688 -2.819 1.00 70.04 H new ATOM 794 N GLU A 50 -2.243 12.701 -1.044 1.00 51.12 N ATOM 795 CA GLU A 50 -2.271 11.782 0.101 1.00 22.14 C ATOM 796 C GLU A 50 -2.691 10.373 -0.349 1.00 23.31 C ATOM 797 O GLU A 50 -3.862 10.121 -0.635 1.00 54.22 O ATOM 798 CB GLU A 50 -3.230 12.312 1.180 1.00 2.43 C ATOM 799 CG GLU A 50 -3.398 11.393 2.386 1.00 32.01 C ATOM 800 CD GLU A 50 -4.322 11.982 3.444 1.00 23.44 C ATOM 801 OE1 GLU A 50 -5.560 11.931 3.259 1.00 31.31 O ATOM 802 OE2 GLU A 50 -3.819 12.502 4.462 1.00 0.43 O ATOM 0 H GLU A 50 -3.119 13.199 -1.201 1.00 51.12 H new ATOM 0 HA GLU A 50 -1.269 11.720 0.524 1.00 22.14 H new ATOM 0 HB2 GLU A 50 -2.868 13.281 1.525 1.00 2.43 H new ATOM 0 HB3 GLU A 50 -4.208 12.480 0.728 1.00 2.43 H new ATOM 0 HG2 GLU A 50 -3.795 10.433 2.055 1.00 32.01 H new ATOM 0 HG3 GLU A 50 -2.421 11.198 2.829 1.00 32.01 H new ATOM 809 N TYR A 51 -1.726 9.464 -0.435 1.00 51.42 N ATOM 810 CA TYR A 51 -1.987 8.096 -0.897 1.00 42.14 C ATOM 811 C TYR A 51 -2.272 7.146 0.273 1.00 45.54 C ATOM 812 O TYR A 51 -1.466 7.010 1.190 1.00 73.41 O ATOM 813 CB TYR A 51 -0.797 7.591 -1.723 1.00 42.23 C ATOM 814 CG TYR A 51 -0.586 8.380 -3.000 1.00 32.41 C ATOM 815 CD1 TYR A 51 0.116 9.582 -2.992 1.00 15.04 C ATOM 816 CD2 TYR A 51 -1.107 7.934 -4.208 1.00 52.25 C ATOM 817 CE1 TYR A 51 0.289 10.314 -4.151 1.00 12.14 C ATOM 818 CE2 TYR A 51 -0.942 8.663 -5.366 1.00 10.41 C ATOM 819 CZ TYR A 51 -0.242 9.851 -5.333 1.00 1.03 C ATOM 820 OH TYR A 51 -0.093 10.587 -6.489 1.00 65.21 O ATOM 0 H TYR A 51 -0.752 9.646 -0.191 1.00 51.42 H new ATOM 0 HA TYR A 51 -2.879 8.115 -1.523 1.00 42.14 H new ATOM 0 HB2 TYR A 51 0.107 7.643 -1.117 1.00 42.23 H new ATOM 0 HB3 TYR A 51 -0.954 6.542 -1.972 1.00 42.23 H new ATOM 0 HD1 TYR A 51 0.532 9.948 -2.065 1.00 15.04 H new ATOM 0 HD2 TYR A 51 -1.650 7.001 -4.240 1.00 52.25 H new ATOM 0 HE1 TYR A 51 0.838 11.244 -4.129 1.00 12.14 H new ATOM 0 HE2 TYR A 51 -1.359 8.305 -6.296 1.00 10.41 H new ATOM 0 HH TYR A 51 -0.975 10.857 -6.821 1.00 65.21 H new ATOM 830 N VAL A 52 -3.425 6.485 0.231 1.00 23.35 N ATOM 831 CA VAL A 52 -3.839 5.565 1.295 1.00 70.43 C ATOM 832 C VAL A 52 -3.749 4.095 0.842 1.00 34.24 C ATOM 833 O VAL A 52 -4.412 3.684 -0.115 1.00 74.45 O ATOM 834 CB VAL A 52 -5.289 5.861 1.760 1.00 44.42 C ATOM 835 CG1 VAL A 52 -5.697 4.932 2.906 1.00 2.10 C ATOM 836 CG2 VAL A 52 -5.439 7.329 2.165 1.00 23.44 C ATOM 0 H VAL A 52 -4.096 6.568 -0.533 1.00 23.35 H new ATOM 0 HA VAL A 52 -3.153 5.722 2.127 1.00 70.43 H new ATOM 0 HB VAL A 52 -5.959 5.671 0.921 1.00 44.42 H new ATOM 0 HG11 VAL A 52 -6.718 5.160 3.214 1.00 2.10 H new ATOM 0 HG12 VAL A 52 -5.642 3.896 2.572 1.00 2.10 H new ATOM 0 HG13 VAL A 52 -5.023 5.077 3.750 1.00 2.10 H new ATOM 0 HG21 VAL A 52 -6.463 7.515 2.488 1.00 23.44 H new ATOM 0 HG22 VAL A 52 -4.755 7.552 2.983 1.00 23.44 H new ATOM 0 HG23 VAL A 52 -5.206 7.967 1.313 1.00 23.44 H new ATOM 846 N LEU A 53 -2.938 3.315 1.548 1.00 64.30 N ATOM 847 CA LEU A 53 -2.803 1.876 1.290 1.00 31.43 C ATOM 848 C LEU A 53 -3.869 1.086 2.065 1.00 0.41 C ATOM 849 O LEU A 53 -4.146 1.376 3.230 1.00 60.51 O ATOM 850 CB LEU A 53 -1.399 1.400 1.706 1.00 55.11 C ATOM 851 CG LEU A 53 -1.141 -0.116 1.585 1.00 53.44 C ATOM 852 CD1 LEU A 53 -1.169 -0.561 0.125 1.00 43.13 C ATOM 853 CD2 LEU A 53 0.186 -0.492 2.241 1.00 3.44 C ATOM 0 H LEU A 53 -2.356 3.655 2.313 1.00 64.30 H new ATOM 0 HA LEU A 53 -2.945 1.700 0.224 1.00 31.43 H new ATOM 0 HB2 LEU A 53 -0.663 1.924 1.097 1.00 55.11 H new ATOM 0 HB3 LEU A 53 -1.227 1.697 2.740 1.00 55.11 H new ATOM 0 HG LEU A 53 -1.941 -0.637 2.110 1.00 53.44 H new ATOM 0 HD11 LEU A 53 -0.984 -1.634 0.068 1.00 43.13 H new ATOM 0 HD12 LEU A 53 -2.145 -0.338 -0.305 1.00 43.13 H new ATOM 0 HD13 LEU A 53 -0.397 -0.030 -0.432 1.00 43.13 H new ATOM 0 HD21 LEU A 53 0.348 -1.565 2.144 1.00 3.44 H new ATOM 0 HD22 LEU A 53 0.999 0.044 1.751 1.00 3.44 H new ATOM 0 HD23 LEU A 53 0.159 -0.223 3.297 1.00 3.44 H new ATOM 865 N SER A 54 -4.475 0.101 1.411 1.00 70.22 N ATOM 866 CA SER A 54 -5.484 -0.752 2.051 1.00 1.41 C ATOM 867 C SER A 54 -5.214 -2.233 1.766 1.00 73.50 C ATOM 868 O SER A 54 -5.298 -2.682 0.623 1.00 64.44 O ATOM 869 CB SER A 54 -6.892 -0.368 1.575 1.00 70.24 C ATOM 870 OG SER A 54 -7.204 0.975 1.927 1.00 61.32 O ATOM 0 H SER A 54 -4.288 -0.131 0.435 1.00 70.22 H new ATOM 0 HA SER A 54 -5.422 -0.596 3.128 1.00 1.41 H new ATOM 0 HB2 SER A 54 -6.959 -0.489 0.494 1.00 70.24 H new ATOM 0 HB3 SER A 54 -7.625 -1.043 2.017 1.00 70.24 H new ATOM 0 HG SER A 54 -7.391 1.026 2.888 1.00 61.32 H new ATOM 876 N VAL A 55 -4.882 -2.983 2.813 1.00 32.45 N ATOM 877 CA VAL A 55 -4.558 -4.408 2.689 1.00 4.11 C ATOM 878 C VAL A 55 -5.369 -5.263 3.676 1.00 42.05 C ATOM 879 O VAL A 55 -5.566 -4.881 4.830 1.00 41.23 O ATOM 880 CB VAL A 55 -3.040 -4.649 2.915 1.00 32.15 C ATOM 881 CG1 VAL A 55 -2.576 -4.015 4.222 1.00 43.45 C ATOM 882 CG2 VAL A 55 -2.707 -6.143 2.884 1.00 25.32 C ATOM 0 H VAL A 55 -4.829 -2.627 3.767 1.00 32.45 H new ATOM 0 HA VAL A 55 -4.824 -4.710 1.676 1.00 4.11 H new ATOM 0 HB VAL A 55 -2.501 -4.170 2.097 1.00 32.15 H new ATOM 0 HG11 VAL A 55 -1.510 -4.198 4.357 1.00 43.45 H new ATOM 0 HG12 VAL A 55 -2.759 -2.941 4.190 1.00 43.45 H new ATOM 0 HG13 VAL A 55 -3.127 -4.452 5.054 1.00 43.45 H new ATOM 0 HG21 VAL A 55 -1.638 -6.281 3.045 1.00 25.32 H new ATOM 0 HG22 VAL A 55 -3.261 -6.656 3.670 1.00 25.32 H new ATOM 0 HG23 VAL A 55 -2.984 -6.558 1.915 1.00 25.32 H new ATOM 892 N TYR A 56 -5.844 -6.418 3.217 1.00 34.11 N ATOM 893 CA TYR A 56 -6.602 -7.332 4.076 1.00 31.10 C ATOM 894 C TYR A 56 -5.654 -8.211 4.908 1.00 50.53 C ATOM 895 O TYR A 56 -5.069 -9.172 4.403 1.00 63.53 O ATOM 896 CB TYR A 56 -7.536 -8.214 3.237 1.00 64.25 C ATOM 897 CG TYR A 56 -8.589 -8.944 4.059 1.00 73.23 C ATOM 898 CD1 TYR A 56 -8.306 -10.156 4.685 1.00 71.23 C ATOM 899 CD2 TYR A 56 -9.868 -8.416 4.207 1.00 3.52 C ATOM 900 CE1 TYR A 56 -9.265 -10.815 5.430 1.00 74.14 C ATOM 901 CE2 TYR A 56 -10.830 -9.069 4.950 1.00 24.42 C ATOM 902 CZ TYR A 56 -10.526 -10.270 5.559 1.00 51.32 C ATOM 903 OH TYR A 56 -11.486 -10.927 6.299 1.00 62.42 O ATOM 0 H TYR A 56 -5.720 -6.745 2.259 1.00 34.11 H new ATOM 0 HA TYR A 56 -7.206 -6.731 4.756 1.00 31.10 H new ATOM 0 HB2 TYR A 56 -8.035 -7.594 2.492 1.00 64.25 H new ATOM 0 HB3 TYR A 56 -6.939 -8.947 2.694 1.00 64.25 H new ATOM 0 HD1 TYR A 56 -7.321 -10.588 4.586 1.00 71.23 H new ATOM 0 HD2 TYR A 56 -10.112 -7.478 3.731 1.00 3.52 H new ATOM 0 HE1 TYR A 56 -9.028 -11.753 5.910 1.00 74.14 H new ATOM 0 HE2 TYR A 56 -11.817 -8.642 5.055 1.00 24.42 H new ATOM 0 HH TYR A 56 -11.547 -10.522 7.189 1.00 62.42 H new ATOM 913 N SER A 57 -5.509 -7.874 6.184 1.00 61.41 N ATOM 914 CA SER A 57 -4.611 -8.601 7.092 1.00 31.22 C ATOM 915 C SER A 57 -5.234 -8.735 8.479 1.00 20.31 C ATOM 916 O SER A 57 -5.921 -7.827 8.946 1.00 64.20 O ATOM 917 CB SER A 57 -3.256 -7.892 7.212 1.00 72.05 C ATOM 918 OG SER A 57 -2.380 -8.599 8.081 1.00 4.43 O ATOM 0 H SER A 57 -6.003 -7.097 6.622 1.00 61.41 H new ATOM 0 HA SER A 57 -4.456 -9.594 6.670 1.00 31.22 H new ATOM 0 HB2 SER A 57 -2.800 -7.803 6.226 1.00 72.05 H new ATOM 0 HB3 SER A 57 -3.405 -6.879 7.587 1.00 72.05 H new ATOM 0 HG SER A 57 -2.602 -8.387 9.012 1.00 4.43 H new ATOM 924 N ASP A 58 -5.015 -9.886 9.119 1.00 64.11 N ATOM 925 CA ASP A 58 -5.541 -10.154 10.467 1.00 62.33 C ATOM 926 C ASP A 58 -7.077 -10.285 10.471 1.00 24.11 C ATOM 927 O ASP A 58 -7.700 -10.346 11.530 1.00 11.32 O ATOM 928 CB ASP A 58 -5.105 -9.048 11.442 1.00 64.24 C ATOM 929 CG ASP A 58 -3.601 -8.823 11.444 1.00 14.33 C ATOM 930 OD1 ASP A 58 -2.873 -9.628 12.060 1.00 74.52 O ATOM 931 OD2 ASP A 58 -3.137 -7.829 10.840 1.00 64.14 O ATOM 0 H ASP A 58 -4.473 -10.655 8.725 1.00 64.11 H new ATOM 0 HA ASP A 58 -5.126 -11.108 10.793 1.00 62.33 H new ATOM 0 HB2 ASP A 58 -5.607 -8.117 11.176 1.00 64.24 H new ATOM 0 HB3 ASP A 58 -5.430 -9.309 12.449 1.00 64.24 H new ATOM 936 N GLY A 59 -7.675 -10.355 9.280 1.00 54.43 N ATOM 937 CA GLY A 59 -9.132 -10.394 9.159 1.00 62.25 C ATOM 938 C GLY A 59 -9.745 -9.006 8.990 1.00 75.45 C ATOM 939 O GLY A 59 -10.938 -8.868 8.713 1.00 52.32 O ATOM 0 H GLY A 59 -7.176 -10.386 8.391 1.00 54.43 H new ATOM 0 HA2 GLY A 59 -9.405 -11.014 8.305 1.00 62.25 H new ATOM 0 HA3 GLY A 59 -9.554 -10.868 10.045 1.00 62.25 H new ATOM 943 N GLN A 60 -8.915 -7.981 9.142 1.00 14.23 N ATOM 944 CA GLN A 60 -9.357 -6.589 9.061 1.00 3.32 C ATOM 945 C GLN A 60 -8.728 -5.869 7.861 1.00 24.50 C ATOM 946 O GLN A 60 -7.683 -6.281 7.348 1.00 54.51 O ATOM 947 CB GLN A 60 -8.980 -5.856 10.356 1.00 13.03 C ATOM 948 CG GLN A 60 -9.606 -6.460 11.608 1.00 70.33 C ATOM 949 CD GLN A 60 -9.146 -5.780 12.888 1.00 21.21 C ATOM 950 OE1 GLN A 60 -9.747 -4.818 13.350 1.00 74.42 O ATOM 951 NE2 GLN A 60 -8.083 -6.285 13.481 1.00 2.34 N ATOM 0 H GLN A 60 -7.917 -8.088 9.325 1.00 14.23 H new ATOM 0 HA GLN A 60 -10.439 -6.584 8.929 1.00 3.32 H new ATOM 0 HB2 GLN A 60 -7.895 -5.862 10.464 1.00 13.03 H new ATOM 0 HB3 GLN A 60 -9.286 -4.813 10.275 1.00 13.03 H new ATOM 0 HG2 GLN A 60 -10.691 -6.390 11.535 1.00 70.33 H new ATOM 0 HG3 GLN A 60 -9.358 -7.520 11.657 1.00 70.33 H new ATOM 0 HE21 GLN A 60 -7.604 -7.087 13.072 1.00 2.34 H new ATOM 0 HE22 GLN A 60 -7.740 -5.874 14.349 1.00 2.34 H new ATOM 960 N ARG A 61 -9.364 -4.794 7.408 1.00 71.34 N ATOM 961 CA ARG A 61 -8.773 -3.954 6.366 1.00 23.02 C ATOM 962 C ARG A 61 -7.764 -2.967 6.977 1.00 4.35 C ATOM 963 O ARG A 61 -8.140 -1.952 7.567 1.00 51.30 O ATOM 964 CB ARG A 61 -9.861 -3.189 5.588 1.00 51.42 C ATOM 965 CG ARG A 61 -10.552 -3.991 4.484 1.00 1.24 C ATOM 966 CD ARG A 61 -11.452 -5.100 5.016 1.00 24.31 C ATOM 967 NE ARG A 61 -12.219 -5.723 3.935 1.00 5.23 N ATOM 968 CZ ARG A 61 -13.473 -6.069 4.021 1.00 73.34 C ATOM 969 NH1 ARG A 61 -14.102 -5.993 5.148 1.00 72.14 N ATOM 970 NH2 ARG A 61 -14.085 -6.521 2.978 1.00 33.42 N ATOM 0 H ARG A 61 -10.278 -4.484 7.739 1.00 71.34 H new ATOM 0 HA ARG A 61 -8.248 -4.606 5.667 1.00 23.02 H new ATOM 0 HB2 ARG A 61 -10.617 -2.845 6.294 1.00 51.42 H new ATOM 0 HB3 ARG A 61 -9.412 -2.301 5.144 1.00 51.42 H new ATOM 0 HG2 ARG A 61 -11.146 -3.314 3.870 1.00 1.24 H new ATOM 0 HG3 ARG A 61 -9.794 -4.428 3.834 1.00 1.24 H new ATOM 0 HD2 ARG A 61 -10.846 -5.855 5.517 1.00 24.31 H new ATOM 0 HD3 ARG A 61 -12.134 -4.692 5.762 1.00 24.31 H new ATOM 0 HE ARG A 61 -11.738 -5.899 3.053 1.00 5.23 H new ATOM 0 HH11 ARG A 61 -13.617 -5.660 5.981 1.00 72.14 H new ATOM 0 HH12 ARG A 61 -15.083 -6.266 5.204 1.00 72.14 H new ATOM 0 HH21 ARG A 61 -13.587 -6.606 2.092 1.00 33.42 H new ATOM 0 HH22 ARG A 61 -15.066 -6.793 3.040 1.00 33.42 H new ATOM 984 N ARG A 62 -6.481 -3.272 6.823 1.00 33.04 N ATOM 985 CA ARG A 62 -5.408 -2.413 7.326 1.00 52.44 C ATOM 986 C ARG A 62 -5.205 -1.199 6.406 1.00 12.33 C ATOM 987 O ARG A 62 -4.941 -1.355 5.213 1.00 15.35 O ATOM 988 CB ARG A 62 -4.104 -3.216 7.418 1.00 23.31 C ATOM 989 CG ARG A 62 -4.138 -4.375 8.416 1.00 31.24 C ATOM 990 CD ARG A 62 -4.141 -3.889 9.863 1.00 2.31 C ATOM 991 NE ARG A 62 -3.872 -4.976 10.801 1.00 70.23 N ATOM 992 CZ ARG A 62 -4.064 -4.906 12.090 1.00 73.54 C ATOM 993 NH1 ARG A 62 -4.543 -3.837 12.640 1.00 30.34 N ATOM 994 NH2 ARG A 62 -3.769 -5.917 12.831 1.00 64.54 N ATOM 0 H ARG A 62 -6.153 -4.114 6.350 1.00 33.04 H new ATOM 0 HA ARG A 62 -5.687 -2.054 8.316 1.00 52.44 H new ATOM 0 HB2 ARG A 62 -3.866 -3.611 6.430 1.00 23.31 H new ATOM 0 HB3 ARG A 62 -3.295 -2.540 7.694 1.00 23.31 H new ATOM 0 HG2 ARG A 62 -5.026 -4.981 8.236 1.00 31.24 H new ATOM 0 HG3 ARG A 62 -3.274 -5.019 8.252 1.00 31.24 H new ATOM 0 HD2 ARG A 62 -3.390 -3.109 9.986 1.00 2.31 H new ATOM 0 HD3 ARG A 62 -5.107 -3.441 10.094 1.00 2.31 H new ATOM 0 HE ARG A 62 -3.509 -5.851 10.422 1.00 70.23 H new ATOM 0 HH11 ARG A 62 -4.778 -3.029 12.064 1.00 30.34 H new ATOM 0 HH12 ARG A 62 -4.685 -3.803 13.649 1.00 30.34 H new ATOM 0 HH21 ARG A 62 -3.388 -6.764 12.410 1.00 64.54 H new ATOM 0 HH22 ARG A 62 -3.916 -5.870 13.839 1.00 64.54 H new ATOM 1008 N HIS A 63 -5.331 0.007 6.961 1.00 24.05 N ATOM 1009 CA HIS A 63 -5.163 1.236 6.172 1.00 24.43 C ATOM 1010 C HIS A 63 -3.923 2.023 6.619 1.00 11.02 C ATOM 1011 O HIS A 63 -3.840 2.479 7.761 1.00 43.42 O ATOM 1012 CB HIS A 63 -6.414 2.118 6.289 1.00 74.10 C ATOM 1013 CG HIS A 63 -7.684 1.409 5.923 1.00 4.22 C ATOM 1014 ND1 HIS A 63 -8.003 1.046 4.630 1.00 12.13 N ATOM 1015 CD2 HIS A 63 -8.723 0.996 6.691 1.00 74.31 C ATOM 1016 CE1 HIS A 63 -9.174 0.442 4.621 1.00 25.43 C ATOM 1017 NE2 HIS A 63 -9.631 0.400 5.854 1.00 65.23 N ATOM 0 H HIS A 63 -5.547 0.163 7.946 1.00 24.05 H new ATOM 0 HA HIS A 63 -5.023 0.947 5.130 1.00 24.43 H new ATOM 0 HB2 HIS A 63 -6.495 2.486 7.312 1.00 74.10 H new ATOM 0 HB3 HIS A 63 -6.296 2.990 5.645 1.00 74.10 H new ATOM 0 HD2 HIS A 63 -8.817 1.114 7.760 1.00 74.31 H new ATOM 0 HE1 HIS A 63 -9.674 0.048 3.749 1.00 25.43 H new ATOM 0 HE2 HIS A 63 -10.519 -0.011 6.142 1.00 65.23 H new ATOM 1026 N PHE A 64 -2.966 2.186 5.707 1.00 41.20 N ATOM 1027 CA PHE A 64 -1.728 2.924 5.991 1.00 42.25 C ATOM 1028 C PHE A 64 -1.528 4.078 4.993 1.00 42.12 C ATOM 1029 O PHE A 64 -1.438 3.856 3.790 1.00 11.14 O ATOM 1030 CB PHE A 64 -0.513 1.982 5.926 1.00 25.24 C ATOM 1031 CG PHE A 64 -0.583 0.810 6.876 1.00 63.20 C ATOM 1032 CD1 PHE A 64 -0.347 0.981 8.234 1.00 4.14 C ATOM 1033 CD2 PHE A 64 -0.881 -0.464 6.409 1.00 71.20 C ATOM 1034 CE1 PHE A 64 -0.405 -0.092 9.103 1.00 34.54 C ATOM 1035 CE2 PHE A 64 -0.938 -1.539 7.275 1.00 43.03 C ATOM 1036 CZ PHE A 64 -0.702 -1.353 8.622 1.00 72.40 C ATOM 0 H PHE A 64 -3.022 1.816 4.758 1.00 41.20 H new ATOM 0 HA PHE A 64 -1.815 3.338 6.995 1.00 42.25 H new ATOM 0 HB2 PHE A 64 -0.415 1.604 4.908 1.00 25.24 H new ATOM 0 HB3 PHE A 64 0.389 2.556 6.141 1.00 25.24 H new ATOM 0 HD1 PHE A 64 -0.115 1.964 8.615 1.00 4.14 H new ATOM 0 HD2 PHE A 64 -1.070 -0.616 5.357 1.00 71.20 H new ATOM 0 HE1 PHE A 64 -0.218 0.055 10.157 1.00 34.54 H new ATOM 0 HE2 PHE A 64 -1.167 -2.525 6.898 1.00 43.03 H new ATOM 0 HZ PHE A 64 -0.749 -2.192 9.300 1.00 72.40 H new ATOM 1046 N ILE A 65 -1.465 5.307 5.493 1.00 31.04 N ATOM 1047 CA ILE A 65 -1.220 6.477 4.637 1.00 31.34 C ATOM 1048 C ILE A 65 0.277 6.619 4.314 1.00 42.45 C ATOM 1049 O ILE A 65 1.127 6.371 5.167 1.00 1.33 O ATOM 1050 CB ILE A 65 -1.734 7.780 5.306 1.00 54.12 C ATOM 1051 CG1 ILE A 65 -3.239 7.666 5.615 1.00 25.41 C ATOM 1052 CG2 ILE A 65 -1.454 8.993 4.416 1.00 71.01 C ATOM 1053 CD1 ILE A 65 -3.829 8.902 6.269 1.00 53.51 C ATOM 0 H ILE A 65 -1.579 5.526 6.483 1.00 31.04 H new ATOM 0 HA ILE A 65 -1.770 6.320 3.709 1.00 31.34 H new ATOM 0 HB ILE A 65 -1.199 7.920 6.245 1.00 54.12 H new ATOM 0 HG12 ILE A 65 -3.776 7.466 4.688 1.00 25.41 H new ATOM 0 HG13 ILE A 65 -3.402 6.809 6.268 1.00 25.41 H new ATOM 0 HG21 ILE A 65 -1.822 9.895 4.904 1.00 71.01 H new ATOM 0 HG22 ILE A 65 -0.380 9.083 4.250 1.00 71.01 H new ATOM 0 HG23 ILE A 65 -1.959 8.866 3.459 1.00 71.01 H new ATOM 0 HD11 ILE A 65 -4.891 8.743 6.455 1.00 53.51 H new ATOM 0 HD12 ILE A 65 -3.320 9.092 7.214 1.00 53.51 H new ATOM 0 HD13 ILE A 65 -3.700 9.760 5.609 1.00 53.51 H new ATOM 1065 N ILE A 66 0.591 6.995 3.075 1.00 4.35 N ATOM 1066 CA ILE A 66 1.980 7.207 2.654 1.00 14.12 C ATOM 1067 C ILE A 66 2.426 8.648 2.940 1.00 43.31 C ATOM 1068 O ILE A 66 1.953 9.591 2.300 1.00 12.31 O ATOM 1069 CB ILE A 66 2.165 6.924 1.136 1.00 32.10 C ATOM 1070 CG1 ILE A 66 1.627 5.531 0.777 1.00 41.23 C ATOM 1071 CG2 ILE A 66 3.637 7.053 0.744 1.00 52.21 C ATOM 1072 CD1 ILE A 66 1.756 5.174 -0.691 1.00 11.20 C ATOM 0 H ILE A 66 -0.098 7.160 2.341 1.00 4.35 H new ATOM 0 HA ILE A 66 2.592 6.510 3.227 1.00 14.12 H new ATOM 0 HB ILE A 66 1.595 7.664 0.575 1.00 32.10 H new ATOM 0 HG12 ILE A 66 2.158 4.785 1.369 1.00 41.23 H new ATOM 0 HG13 ILE A 66 0.576 5.475 1.062 1.00 41.23 H new ATOM 0 HG21 ILE A 66 3.749 6.852 -0.321 1.00 52.21 H new ATOM 0 HG22 ILE A 66 3.984 8.063 0.961 1.00 52.21 H new ATOM 0 HG23 ILE A 66 4.229 6.336 1.313 1.00 52.21 H new ATOM 0 HD11 ILE A 66 1.353 4.175 -0.859 1.00 11.20 H new ATOM 0 HD12 ILE A 66 1.201 5.895 -1.291 1.00 11.20 H new ATOM 0 HD13 ILE A 66 2.807 5.195 -0.979 1.00 11.20 H new ATOM 1084 N GLN A 67 3.339 8.821 3.896 1.00 24.25 N ATOM 1085 CA GLN A 67 3.861 10.153 4.219 1.00 50.21 C ATOM 1086 C GLN A 67 5.081 10.498 3.354 1.00 43.15 C ATOM 1087 O GLN A 67 6.109 9.816 3.399 1.00 35.41 O ATOM 1088 CB GLN A 67 4.231 10.262 5.713 1.00 71.32 C ATOM 1089 CG GLN A 67 3.042 10.120 6.669 1.00 74.24 C ATOM 1090 CD GLN A 67 2.511 8.701 6.753 1.00 1.30 C ATOM 1091 OE1 GLN A 67 3.254 7.738 6.621 1.00 23.22 O ATOM 1092 NE2 GLN A 67 1.218 8.560 6.960 1.00 25.41 N ATOM 0 H GLN A 67 3.731 8.064 4.457 1.00 24.25 H new ATOM 0 HA GLN A 67 3.068 10.869 4.003 1.00 50.21 H new ATOM 0 HB2 GLN A 67 4.967 9.493 5.950 1.00 71.32 H new ATOM 0 HB3 GLN A 67 4.709 11.226 5.887 1.00 71.32 H new ATOM 0 HG2 GLN A 67 3.342 10.448 7.664 1.00 74.24 H new ATOM 0 HG3 GLN A 67 2.240 10.783 6.343 1.00 74.24 H new ATOM 0 HE21 GLN A 67 0.626 9.384 7.066 1.00 25.41 H new ATOM 0 HE22 GLN A 67 0.809 7.627 7.014 1.00 25.41 H new ATOM 1101 N TYR A 68 4.958 11.557 2.554 1.00 60.45 N ATOM 1102 CA TYR A 68 6.079 12.046 1.749 1.00 40.44 C ATOM 1103 C TYR A 68 6.992 12.945 2.597 1.00 4.42 C ATOM 1104 O TYR A 68 6.716 14.132 2.796 1.00 13.31 O ATOM 1105 CB TYR A 68 5.558 12.806 0.518 1.00 23.05 C ATOM 1106 CG TYR A 68 6.643 13.177 -0.477 1.00 14.35 C ATOM 1107 CD1 TYR A 68 7.409 12.191 -1.089 1.00 73.02 C ATOM 1108 CD2 TYR A 68 6.891 14.504 -0.813 1.00 65.15 C ATOM 1109 CE1 TYR A 68 8.390 12.515 -2.003 1.00 72.24 C ATOM 1110 CE2 TYR A 68 7.873 14.834 -1.728 1.00 11.11 C ATOM 1111 CZ TYR A 68 8.618 13.834 -2.320 1.00 74.01 C ATOM 1112 OH TYR A 68 9.600 14.156 -3.232 1.00 20.11 O ATOM 0 H TYR A 68 4.096 12.092 2.446 1.00 60.45 H new ATOM 0 HA TYR A 68 6.663 11.193 1.404 1.00 40.44 H new ATOM 0 HB2 TYR A 68 4.810 12.194 0.014 1.00 23.05 H new ATOM 0 HB3 TYR A 68 5.056 13.715 0.849 1.00 23.05 H new ATOM 0 HD1 TYR A 68 7.233 11.154 -0.845 1.00 73.02 H new ATOM 0 HD2 TYR A 68 6.308 15.288 -0.352 1.00 65.15 H new ATOM 0 HE1 TYR A 68 8.977 11.736 -2.468 1.00 72.24 H new ATOM 0 HE2 TYR A 68 8.056 15.868 -1.978 1.00 11.11 H new ATOM 0 HH TYR A 68 9.634 15.129 -3.346 1.00 20.11 H new ATOM 1122 N VAL A 69 8.072 12.359 3.115 1.00 71.43 N ATOM 1123 CA VAL A 69 8.995 13.061 4.016 1.00 4.40 C ATOM 1124 C VAL A 69 10.450 12.886 3.553 1.00 21.20 C ATOM 1125 O VAL A 69 10.822 11.824 3.052 1.00 72.12 O ATOM 1126 CB VAL A 69 8.857 12.542 5.471 1.00 11.42 C ATOM 1127 CG1 VAL A 69 9.713 13.366 6.430 1.00 13.04 C ATOM 1128 CG2 VAL A 69 7.395 12.538 5.918 1.00 13.23 C ATOM 0 H VAL A 69 8.333 11.391 2.925 1.00 71.43 H new ATOM 0 HA VAL A 69 8.733 14.119 3.989 1.00 4.40 H new ATOM 0 HB VAL A 69 9.219 11.514 5.492 1.00 11.42 H new ATOM 0 HG11 VAL A 69 9.598 12.981 7.443 1.00 13.04 H new ATOM 0 HG12 VAL A 69 10.760 13.298 6.133 1.00 13.04 H new ATOM 0 HG13 VAL A 69 9.394 14.408 6.399 1.00 13.04 H new ATOM 0 HG21 VAL A 69 7.329 12.169 6.942 1.00 13.23 H new ATOM 0 HG22 VAL A 69 6.997 13.552 5.871 1.00 13.23 H new ATOM 0 HG23 VAL A 69 6.815 11.890 5.261 1.00 13.23 H new ATOM 1138 N ASP A 70 11.268 13.932 3.717 1.00 20.34 N ATOM 1139 CA ASP A 70 12.672 13.906 3.271 1.00 65.33 C ATOM 1140 C ASP A 70 12.774 13.596 1.763 1.00 43.53 C ATOM 1141 O ASP A 70 13.765 13.031 1.298 1.00 30.22 O ATOM 1142 CB ASP A 70 13.474 12.881 4.088 1.00 75.52 C ATOM 1143 CG ASP A 70 13.414 13.156 5.582 1.00 12.31 C ATOM 1144 OD1 ASP A 70 13.753 14.282 5.996 1.00 4.22 O ATOM 1145 OD2 ASP A 70 13.039 12.248 6.351 1.00 71.13 O ATOM 0 H ASP A 70 10.985 14.809 4.155 1.00 20.34 H new ATOM 0 HA ASP A 70 13.097 14.896 3.437 1.00 65.33 H new ATOM 0 HB2 ASP A 70 13.089 11.881 3.890 1.00 75.52 H new ATOM 0 HB3 ASP A 70 14.514 12.893 3.761 1.00 75.52 H new ATOM 1150 N ASN A 71 11.739 13.996 1.012 1.00 45.11 N ATOM 1151 CA ASN A 71 11.654 13.738 -0.436 1.00 50.35 C ATOM 1152 C ASN A 71 11.569 12.233 -0.757 1.00 43.11 C ATOM 1153 O ASN A 71 11.892 11.803 -1.867 1.00 20.35 O ATOM 1154 CB ASN A 71 12.834 14.386 -1.174 1.00 11.01 C ATOM 1155 CG ASN A 71 12.836 15.900 -1.041 1.00 55.42 C ATOM 1156 OD1 ASN A 71 11.789 16.528 -0.918 1.00 1.15 O ATOM 1157 ND2 ASN A 71 14.005 16.499 -1.070 1.00 33.25 N ATOM 0 H ASN A 71 10.939 14.506 1.387 1.00 45.11 H new ATOM 0 HA ASN A 71 10.729 14.193 -0.789 1.00 50.35 H new ATOM 0 HB2 ASN A 71 13.769 13.988 -0.780 1.00 11.01 H new ATOM 0 HB3 ASN A 71 12.792 14.116 -2.229 1.00 11.01 H new ATOM 0 HD21 ASN A 71 14.060 17.514 -0.989 1.00 33.25 H new ATOM 0 HD22 ASN A 71 14.858 15.949 -1.173 1.00 33.25 H new ATOM 1164 N MET A 72 11.106 11.441 0.213 1.00 50.54 N ATOM 1165 CA MET A 72 10.872 10.003 0.013 1.00 15.10 C ATOM 1166 C MET A 72 9.489 9.585 0.537 1.00 5.50 C ATOM 1167 O MET A 72 8.948 10.193 1.461 1.00 55.24 O ATOM 1168 CB MET A 72 11.956 9.172 0.715 1.00 63.33 C ATOM 1169 CG MET A 72 13.364 9.410 0.185 1.00 4.00 C ATOM 1170 SD MET A 72 14.586 8.328 0.956 1.00 44.10 S ATOM 1171 CE MET A 72 14.427 8.797 2.678 1.00 51.40 C ATOM 0 H MET A 72 10.883 11.771 1.152 1.00 50.54 H new ATOM 0 HA MET A 72 10.912 9.814 -1.060 1.00 15.10 H new ATOM 0 HB2 MET A 72 11.938 9.398 1.781 1.00 63.33 H new ATOM 0 HB3 MET A 72 11.713 8.115 0.609 1.00 63.33 H new ATOM 0 HG2 MET A 72 13.374 9.253 -0.894 1.00 4.00 H new ATOM 0 HG3 MET A 72 13.643 10.449 0.358 1.00 4.00 H new ATOM 0 HE1 MET A 72 15.409 8.783 3.151 1.00 51.40 H new ATOM 0 HE2 MET A 72 14.007 9.801 2.744 1.00 51.40 H new ATOM 0 HE3 MET A 72 13.768 8.094 3.187 1.00 51.40 H new ATOM 1181 N TYR A 73 8.923 8.543 -0.063 1.00 10.44 N ATOM 1182 CA TYR A 73 7.639 7.989 0.378 1.00 14.13 C ATOM 1183 C TYR A 73 7.853 6.873 1.410 1.00 54.01 C ATOM 1184 O TYR A 73 8.611 5.930 1.165 1.00 22.43 O ATOM 1185 CB TYR A 73 6.860 7.436 -0.822 1.00 15.21 C ATOM 1186 CG TYR A 73 6.526 8.475 -1.878 1.00 74.25 C ATOM 1187 CD1 TYR A 73 5.411 9.298 -1.746 1.00 40.15 C ATOM 1188 CD2 TYR A 73 7.320 8.627 -3.010 1.00 74.42 C ATOM 1189 CE1 TYR A 73 5.101 10.240 -2.708 1.00 3.00 C ATOM 1190 CE2 TYR A 73 7.015 9.566 -3.978 1.00 24.35 C ATOM 1191 CZ TYR A 73 5.905 10.369 -3.822 1.00 12.30 C ATOM 1192 OH TYR A 73 5.597 11.307 -4.782 1.00 3.23 O ATOM 0 H TYR A 73 9.333 8.059 -0.862 1.00 10.44 H new ATOM 0 HA TYR A 73 7.066 8.791 0.842 1.00 14.13 H new ATOM 0 HB2 TYR A 73 7.443 6.639 -1.284 1.00 15.21 H new ATOM 0 HB3 TYR A 73 5.934 6.987 -0.464 1.00 15.21 H new ATOM 0 HD1 TYR A 73 4.778 9.198 -0.877 1.00 40.15 H new ATOM 0 HD2 TYR A 73 8.191 8.000 -3.135 1.00 74.42 H new ATOM 0 HE1 TYR A 73 4.234 10.872 -2.589 1.00 3.00 H new ATOM 0 HE2 TYR A 73 7.642 9.670 -4.851 1.00 24.35 H new ATOM 0 HH TYR A 73 6.263 11.270 -5.500 1.00 3.23 H new ATOM 1202 N ARG A 74 7.190 6.976 2.562 1.00 50.43 N ATOM 1203 CA ARG A 74 7.310 5.954 3.609 1.00 70.04 C ATOM 1204 C ARG A 74 6.084 5.932 4.535 1.00 43.31 C ATOM 1205 O ARG A 74 5.389 6.933 4.687 1.00 12.54 O ATOM 1206 CB ARG A 74 8.592 6.186 4.426 1.00 35.24 C ATOM 1207 CG ARG A 74 8.634 7.510 5.186 1.00 64.32 C ATOM 1208 CD ARG A 74 10.028 7.786 5.743 1.00 24.13 C ATOM 1209 NE ARG A 74 10.049 8.928 6.651 1.00 22.01 N ATOM 1210 CZ ARG A 74 10.987 9.835 6.672 1.00 3.32 C ATOM 1211 NH1 ARG A 74 11.952 9.823 5.809 1.00 54.00 N ATOM 1212 NH2 ARG A 74 10.947 10.768 7.560 1.00 35.45 N ATOM 0 H ARG A 74 6.568 7.750 2.796 1.00 50.43 H new ATOM 0 HA ARG A 74 7.364 4.982 3.118 1.00 70.04 H new ATOM 0 HB2 ARG A 74 8.705 5.370 5.139 1.00 35.24 H new ATOM 0 HB3 ARG A 74 9.448 6.142 3.753 1.00 35.24 H new ATOM 0 HG2 ARG A 74 8.338 8.322 4.522 1.00 64.32 H new ATOM 0 HG3 ARG A 74 7.912 7.486 6.002 1.00 64.32 H new ATOM 0 HD2 ARG A 74 10.388 6.901 6.268 1.00 24.13 H new ATOM 0 HD3 ARG A 74 10.716 7.969 4.918 1.00 24.13 H new ATOM 0 HE ARG A 74 9.279 9.024 7.313 1.00 22.01 H new ATOM 0 HH11 ARG A 74 11.989 9.095 5.095 1.00 54.00 H new ATOM 0 HH12 ARG A 74 12.675 10.541 5.843 1.00 54.00 H new ATOM 0 HH21 ARG A 74 10.186 10.793 8.239 1.00 35.45 H new ATOM 0 HH22 ARG A 74 11.676 11.481 7.584 1.00 35.45 H new ATOM 1226 N PHE A 75 5.822 4.768 5.132 1.00 5.14 N ATOM 1227 CA PHE A 75 4.710 4.604 6.081 1.00 35.42 C ATOM 1228 C PHE A 75 5.180 4.751 7.538 1.00 74.23 C ATOM 1229 O PHE A 75 4.411 5.141 8.419 1.00 34.30 O ATOM 1230 CB PHE A 75 4.073 3.217 5.914 1.00 74.10 C ATOM 1231 CG PHE A 75 3.520 2.938 4.540 1.00 62.23 C ATOM 1232 CD1 PHE A 75 2.208 3.256 4.228 1.00 63.43 C ATOM 1233 CD2 PHE A 75 4.305 2.331 3.567 1.00 30.53 C ATOM 1234 CE1 PHE A 75 1.689 2.977 2.981 1.00 34.11 C ATOM 1235 CE2 PHE A 75 3.790 2.053 2.315 1.00 61.20 C ATOM 1236 CZ PHE A 75 2.481 2.376 2.022 1.00 62.13 C ATOM 0 H PHE A 75 6.365 3.919 4.977 1.00 5.14 H new ATOM 0 HA PHE A 75 3.983 5.387 5.864 1.00 35.42 H new ATOM 0 HB2 PHE A 75 4.819 2.459 6.151 1.00 74.10 H new ATOM 0 HB3 PHE A 75 3.269 3.112 6.642 1.00 74.10 H new ATOM 0 HD1 PHE A 75 1.583 3.729 4.971 1.00 63.43 H new ATOM 0 HD2 PHE A 75 5.329 2.074 3.792 1.00 30.53 H new ATOM 0 HE1 PHE A 75 0.663 3.228 2.754 1.00 34.11 H new ATOM 0 HE2 PHE A 75 4.411 1.583 1.567 1.00 61.20 H new ATOM 0 HZ PHE A 75 2.076 2.159 1.044 1.00 62.13 H new ATOM 1246 N GLU A 76 6.444 4.416 7.787 1.00 14.14 N ATOM 1247 CA GLU A 76 6.983 4.372 9.151 1.00 10.54 C ATOM 1248 C GLU A 76 8.453 4.828 9.198 1.00 64.41 C ATOM 1249 O GLU A 76 8.752 5.960 9.579 1.00 0.24 O ATOM 1250 CB GLU A 76 6.846 2.943 9.704 1.00 21.01 C ATOM 1251 CG GLU A 76 7.400 2.754 11.111 1.00 40.51 C ATOM 1252 CD GLU A 76 7.348 1.306 11.569 1.00 55.25 C ATOM 1253 OE1 GLU A 76 8.228 0.519 11.155 1.00 2.01 O ATOM 1254 OE2 GLU A 76 6.430 0.945 12.339 1.00 32.53 O ATOM 0 H GLU A 76 7.118 4.170 7.062 1.00 14.14 H new ATOM 0 HA GLU A 76 6.411 5.063 9.770 1.00 10.54 H new ATOM 0 HB2 GLU A 76 5.792 2.666 9.702 1.00 21.01 H new ATOM 0 HB3 GLU A 76 7.358 2.256 9.030 1.00 21.01 H new ATOM 0 HG2 GLU A 76 8.432 3.104 11.141 1.00 40.51 H new ATOM 0 HG3 GLU A 76 6.833 3.372 11.807 1.00 40.51 H new ATOM 1261 N GLY A 77 9.365 3.938 8.809 1.00 43.11 N ATOM 1262 CA GLY A 77 10.789 4.267 8.807 1.00 35.13 C ATOM 1263 C GLY A 77 11.430 4.095 7.435 1.00 62.43 C ATOM 1264 O GLY A 77 11.867 5.069 6.819 1.00 20.43 O ATOM 0 H GLY A 77 9.146 2.993 8.494 1.00 43.11 H new ATOM 0 HA2 GLY A 77 10.920 5.297 9.138 1.00 35.13 H new ATOM 0 HA3 GLY A 77 11.305 3.632 9.527 1.00 35.13 H new ATOM 1268 N THR A 78 11.482 2.855 6.953 1.00 65.42 N ATOM 1269 CA THR A 78 12.063 2.558 5.636 1.00 12.44 C ATOM 1270 C THR A 78 11.278 3.243 4.503 1.00 34.34 C ATOM 1271 O THR A 78 10.086 2.982 4.311 1.00 2.44 O ATOM 1272 CB THR A 78 12.106 1.034 5.357 1.00 11.51 C ATOM 1273 OG1 THR A 78 12.826 0.351 6.398 1.00 15.51 O ATOM 1274 CG2 THR A 78 12.762 0.743 4.010 1.00 10.12 C ATOM 0 H THR A 78 11.130 2.037 7.451 1.00 65.42 H new ATOM 0 HA THR A 78 13.081 2.948 5.659 1.00 12.44 H new ATOM 0 HB THR A 78 11.078 0.672 5.333 1.00 11.51 H new ATOM 0 HG1 THR A 78 12.843 -0.610 6.208 1.00 15.51 H new ATOM 0 HG21 THR A 78 12.779 -0.333 3.839 1.00 10.12 H new ATOM 0 HG22 THR A 78 12.194 1.228 3.216 1.00 10.12 H new ATOM 0 HG23 THR A 78 13.782 1.127 4.012 1.00 10.12 H new ATOM 1282 N GLY A 79 11.952 4.115 3.753 1.00 54.54 N ATOM 1283 CA GLY A 79 11.293 4.841 2.667 1.00 13.13 C ATOM 1284 C GLY A 79 12.073 4.816 1.358 1.00 44.13 C ATOM 1285 O GLY A 79 13.288 4.609 1.351 1.00 31.31 O ATOM 0 H GLY A 79 12.941 4.334 3.875 1.00 54.54 H new ATOM 0 HA2 GLY A 79 10.305 4.411 2.500 1.00 13.13 H new ATOM 0 HA3 GLY A 79 11.143 5.877 2.972 1.00 13.13 H new ATOM 1289 N PHE A 80 11.368 5.030 0.246 1.00 63.44 N ATOM 1290 CA PHE A 80 11.987 5.041 -1.090 1.00 3.35 C ATOM 1291 C PHE A 80 11.571 6.283 -1.893 1.00 23.50 C ATOM 1292 O PHE A 80 10.541 6.899 -1.617 1.00 23.35 O ATOM 1293 CB PHE A 80 11.616 3.767 -1.871 1.00 43.21 C ATOM 1294 CG PHE A 80 12.264 2.514 -1.336 1.00 52.23 C ATOM 1295 CD1 PHE A 80 11.760 1.876 -0.212 1.00 23.35 C ATOM 1296 CD2 PHE A 80 13.385 1.978 -1.953 1.00 65.11 C ATOM 1297 CE1 PHE A 80 12.356 0.733 0.281 1.00 30.52 C ATOM 1298 CE2 PHE A 80 13.984 0.835 -1.463 1.00 55.53 C ATOM 1299 CZ PHE A 80 13.470 0.212 -0.343 1.00 12.14 C ATOM 0 H PHE A 80 10.362 5.199 0.240 1.00 63.44 H new ATOM 0 HA PHE A 80 13.067 5.072 -0.948 1.00 3.35 H new ATOM 0 HB2 PHE A 80 10.533 3.642 -1.851 1.00 43.21 H new ATOM 0 HB3 PHE A 80 11.902 3.896 -2.915 1.00 43.21 H new ATOM 0 HD1 PHE A 80 10.889 2.279 0.284 1.00 23.35 H new ATOM 0 HD2 PHE A 80 13.794 2.461 -2.828 1.00 65.11 H new ATOM 0 HE1 PHE A 80 11.950 0.247 1.156 1.00 30.52 H new ATOM 0 HE2 PHE A 80 14.855 0.428 -1.956 1.00 55.53 H new ATOM 0 HZ PHE A 80 13.939 -0.681 0.043 1.00 12.14 H new ATOM 1309 N SER A 81 12.375 6.638 -2.895 1.00 45.10 N ATOM 1310 CA SER A 81 12.104 7.816 -3.738 1.00 3.42 C ATOM 1311 C SER A 81 10.781 7.678 -4.502 1.00 21.32 C ATOM 1312 O SER A 81 10.044 8.647 -4.675 1.00 15.12 O ATOM 1313 CB SER A 81 13.247 8.028 -4.742 1.00 75.30 C ATOM 1314 OG SER A 81 14.502 8.130 -4.089 1.00 21.10 O ATOM 0 H SER A 81 13.222 6.130 -3.148 1.00 45.10 H new ATOM 0 HA SER A 81 12.029 8.677 -3.074 1.00 3.42 H new ATOM 0 HB2 SER A 81 13.270 7.198 -5.449 1.00 75.30 H new ATOM 0 HB3 SER A 81 13.062 8.934 -5.319 1.00 75.30 H new ATOM 0 HG SER A 81 15.208 8.263 -4.756 1.00 21.10 H new ATOM 1320 N ASN A 82 10.489 6.463 -4.961 1.00 20.24 N ATOM 1321 CA ASN A 82 9.282 6.196 -5.752 1.00 51.00 C ATOM 1322 C ASN A 82 8.344 5.205 -5.042 1.00 52.23 C ATOM 1323 O ASN A 82 8.788 4.166 -4.551 1.00 30.02 O ATOM 1324 CB ASN A 82 9.681 5.631 -7.120 1.00 32.34 C ATOM 1325 CG ASN A 82 10.531 6.598 -7.924 1.00 42.01 C ATOM 1326 OD1 ASN A 82 10.027 7.341 -8.758 1.00 33.50 O ATOM 1327 ND2 ASN A 82 11.826 6.607 -7.672 1.00 22.34 N ATOM 0 H ASN A 82 11.072 5.642 -4.800 1.00 20.24 H new ATOM 0 HA ASN A 82 8.746 7.137 -5.875 1.00 51.00 H new ATOM 0 HB2 ASN A 82 10.231 4.700 -6.979 1.00 32.34 H new ATOM 0 HB3 ASN A 82 8.781 5.387 -7.685 1.00 32.34 H new ATOM 0 HD21 ASN A 82 12.440 7.246 -8.178 1.00 22.34 H new ATOM 0 HD22 ASN A 82 12.214 5.975 -6.971 1.00 22.34 H new ATOM 1334 N ILE A 83 7.044 5.525 -5.011 1.00 23.34 N ATOM 1335 CA ILE A 83 6.030 4.621 -4.436 1.00 42.25 C ATOM 1336 C ILE A 83 6.105 3.197 -5.039 1.00 53.22 C ATOM 1337 O ILE A 83 6.101 2.212 -4.293 1.00 53.15 O ATOM 1338 CB ILE A 83 4.590 5.190 -4.608 1.00 52.35 C ATOM 1339 CG1 ILE A 83 4.446 6.519 -3.848 1.00 32.41 C ATOM 1340 CG2 ILE A 83 3.538 4.182 -4.139 1.00 4.04 C ATOM 1341 CD1 ILE A 83 3.060 7.128 -3.924 1.00 5.15 C ATOM 0 H ILE A 83 6.667 6.400 -5.375 1.00 23.34 H new ATOM 0 HA ILE A 83 6.255 4.551 -3.372 1.00 42.25 H new ATOM 0 HB ILE A 83 4.423 5.376 -5.669 1.00 52.35 H new ATOM 0 HG12 ILE A 83 4.703 6.356 -2.801 1.00 32.41 H new ATOM 0 HG13 ILE A 83 5.167 7.233 -4.246 1.00 32.41 H new ATOM 0 HG21 ILE A 83 2.543 4.607 -4.271 1.00 4.04 H new ATOM 0 HG22 ILE A 83 3.623 3.268 -4.726 1.00 4.04 H new ATOM 0 HG23 ILE A 83 3.698 3.953 -3.085 1.00 4.04 H new ATOM 0 HD11 ILE A 83 3.042 8.062 -3.363 1.00 5.15 H new ATOM 0 HD12 ILE A 83 2.806 7.325 -4.965 1.00 5.15 H new ATOM 0 HD13 ILE A 83 2.334 6.435 -3.498 1.00 5.15 H new ATOM 1353 N PRO A 84 6.172 3.049 -6.392 1.00 54.24 N ATOM 1354 CA PRO A 84 6.343 1.732 -7.031 1.00 5.53 C ATOM 1355 C PRO A 84 7.516 0.931 -6.439 1.00 61.43 C ATOM 1356 O PRO A 84 7.406 -0.269 -6.215 1.00 33.45 O ATOM 1357 CB PRO A 84 6.600 2.071 -8.517 1.00 3.34 C ATOM 1358 CG PRO A 84 6.822 3.549 -8.563 1.00 33.34 C ATOM 1359 CD PRO A 84 6.057 4.117 -7.400 1.00 21.01 C ATOM 0 HA PRO A 84 5.471 1.096 -6.877 1.00 5.53 H new ATOM 0 HB2 PRO A 84 7.468 1.533 -8.897 1.00 3.34 H new ATOM 0 HB3 PRO A 84 5.751 1.783 -9.137 1.00 3.34 H new ATOM 0 HG2 PRO A 84 7.883 3.787 -8.486 1.00 33.34 H new ATOM 0 HG3 PRO A 84 6.468 3.968 -9.505 1.00 33.34 H new ATOM 0 HD2 PRO A 84 6.488 5.054 -7.049 1.00 21.01 H new ATOM 0 HD3 PRO A 84 5.018 4.321 -7.658 1.00 21.01 H new ATOM 1367 N GLN A 85 8.635 1.609 -6.172 1.00 23.32 N ATOM 1368 CA GLN A 85 9.824 0.959 -5.597 1.00 2.12 C ATOM 1369 C GLN A 85 9.630 0.631 -4.107 1.00 21.01 C ATOM 1370 O GLN A 85 10.123 -0.388 -3.617 1.00 3.44 O ATOM 1371 CB GLN A 85 11.053 1.857 -5.789 1.00 32.04 C ATOM 1372 CG GLN A 85 11.514 1.956 -7.241 1.00 62.44 C ATOM 1373 CD GLN A 85 12.178 0.677 -7.732 1.00 40.41 C ATOM 1374 OE1 GLN A 85 13.390 0.516 -7.626 1.00 34.12 O ATOM 1375 NE2 GLN A 85 11.396 -0.245 -8.262 1.00 22.33 N ATOM 0 H GLN A 85 8.746 2.608 -6.343 1.00 23.32 H new ATOM 0 HA GLN A 85 9.978 0.016 -6.122 1.00 2.12 H new ATOM 0 HB2 GLN A 85 10.824 2.857 -5.420 1.00 32.04 H new ATOM 0 HB3 GLN A 85 11.872 1.473 -5.181 1.00 32.04 H new ATOM 0 HG2 GLN A 85 10.658 2.183 -7.876 1.00 62.44 H new ATOM 0 HG3 GLN A 85 12.214 2.786 -7.341 1.00 62.44 H new ATOM 0 HE21 GLN A 85 10.392 -0.081 -8.336 1.00 22.33 H new ATOM 0 HE22 GLN A 85 11.796 -1.121 -8.597 1.00 22.33 H new ATOM 1384 N LEU A 86 8.920 1.500 -3.394 1.00 20.14 N ATOM 1385 CA LEU A 86 8.569 1.255 -1.989 1.00 1.43 C ATOM 1386 C LEU A 86 7.809 -0.076 -1.842 1.00 35.14 C ATOM 1387 O LEU A 86 8.216 -0.969 -1.079 1.00 63.14 O ATOM 1388 CB LEU A 86 7.717 2.422 -1.462 1.00 61.02 C ATOM 1389 CG LEU A 86 7.229 2.301 -0.006 1.00 10.45 C ATOM 1390 CD1 LEU A 86 8.405 2.239 0.965 1.00 25.22 C ATOM 1391 CD2 LEU A 86 6.300 3.463 0.344 1.00 24.41 C ATOM 0 H LEU A 86 8.573 2.385 -3.763 1.00 20.14 H new ATOM 0 HA LEU A 86 9.485 1.186 -1.402 1.00 1.43 H new ATOM 0 HB2 LEU A 86 8.298 3.340 -1.554 1.00 61.02 H new ATOM 0 HB3 LEU A 86 6.846 2.530 -2.108 1.00 61.02 H new ATOM 0 HG LEU A 86 6.670 1.370 0.087 1.00 10.45 H new ATOM 0 HD11 LEU A 86 8.030 2.154 1.985 1.00 25.22 H new ATOM 0 HD12 LEU A 86 9.024 1.372 0.732 1.00 25.22 H new ATOM 0 HD13 LEU A 86 9.002 3.146 0.872 1.00 25.22 H new ATOM 0 HD21 LEU A 86 5.964 3.362 1.376 1.00 24.41 H new ATOM 0 HD22 LEU A 86 6.836 4.405 0.227 1.00 24.41 H new ATOM 0 HD23 LEU A 86 5.437 3.452 -0.321 1.00 24.41 H new ATOM 1403 N ILE A 87 6.716 -0.205 -2.596 1.00 42.13 N ATOM 1404 CA ILE A 87 5.900 -1.423 -2.595 1.00 63.33 C ATOM 1405 C ILE A 87 6.674 -2.620 -3.179 1.00 10.41 C ATOM 1406 O ILE A 87 6.767 -3.674 -2.549 1.00 23.33 O ATOM 1407 CB ILE A 87 4.591 -1.216 -3.404 1.00 23.23 C ATOM 1408 CG1 ILE A 87 3.754 -0.075 -2.794 1.00 65.14 C ATOM 1409 CG2 ILE A 87 3.777 -2.509 -3.473 1.00 4.33 C ATOM 1410 CD1 ILE A 87 3.317 -0.320 -1.360 1.00 41.21 C ATOM 0 H ILE A 87 6.372 0.525 -3.220 1.00 42.13 H new ATOM 0 HA ILE A 87 5.651 -1.639 -1.556 1.00 63.33 H new ATOM 0 HB ILE A 87 4.862 -0.938 -4.422 1.00 23.23 H new ATOM 0 HG12 ILE A 87 4.335 0.847 -2.832 1.00 65.14 H new ATOM 0 HG13 ILE A 87 2.868 0.080 -3.410 1.00 65.14 H new ATOM 0 HG21 ILE A 87 2.866 -2.335 -4.045 1.00 4.33 H new ATOM 0 HG22 ILE A 87 4.368 -3.285 -3.959 1.00 4.33 H new ATOM 0 HG23 ILE A 87 3.516 -2.829 -2.464 1.00 4.33 H new ATOM 0 HD11 ILE A 87 2.733 0.530 -1.007 1.00 41.21 H new ATOM 0 HD12 ILE A 87 2.707 -1.222 -1.315 1.00 41.21 H new ATOM 0 HD13 ILE A 87 4.196 -0.444 -0.728 1.00 41.21 H new ATOM 1422 N ASP A 88 7.248 -2.433 -4.370 1.00 71.52 N ATOM 1423 CA ASP A 88 7.984 -3.497 -5.068 1.00 35.34 C ATOM 1424 C ASP A 88 9.077 -4.118 -4.183 1.00 34.14 C ATOM 1425 O ASP A 88 9.143 -5.337 -4.027 1.00 63.21 O ATOM 1426 CB ASP A 88 8.608 -2.940 -6.356 1.00 44.22 C ATOM 1427 CG ASP A 88 9.273 -4.016 -7.201 1.00 42.13 C ATOM 1428 OD1 ASP A 88 8.579 -4.635 -8.038 1.00 21.14 O ATOM 1429 OD2 ASP A 88 10.491 -4.244 -7.033 1.00 43.44 O ATOM 0 H ASP A 88 7.218 -1.548 -4.877 1.00 71.52 H new ATOM 0 HA ASP A 88 7.272 -4.285 -5.313 1.00 35.34 H new ATOM 0 HB2 ASP A 88 7.835 -2.447 -6.946 1.00 44.22 H new ATOM 0 HB3 ASP A 88 9.345 -2.180 -6.098 1.00 44.22 H new ATOM 1434 N HIS A 89 9.926 -3.278 -3.590 1.00 22.22 N ATOM 1435 CA HIS A 89 11.038 -3.776 -2.778 1.00 54.13 C ATOM 1436 C HIS A 89 10.543 -4.485 -1.505 1.00 62.03 C ATOM 1437 O HIS A 89 11.150 -5.454 -1.061 1.00 10.20 O ATOM 1438 CB HIS A 89 12.012 -2.649 -2.419 1.00 44.44 C ATOM 1439 CG HIS A 89 13.305 -3.153 -1.852 1.00 73.35 C ATOM 1440 ND1 HIS A 89 14.306 -3.696 -2.626 1.00 63.51 N ATOM 1441 CD2 HIS A 89 13.753 -3.207 -0.576 1.00 20.42 C ATOM 1442 CE1 HIS A 89 15.310 -4.062 -1.854 1.00 31.02 C ATOM 1443 NE2 HIS A 89 15.002 -3.777 -0.606 1.00 70.02 N ATOM 0 H HIS A 89 9.867 -2.262 -3.655 1.00 22.22 H new ATOM 0 HA HIS A 89 11.570 -4.510 -3.383 1.00 54.13 H new ATOM 0 HB2 HIS A 89 12.219 -2.057 -3.310 1.00 44.44 H new ATOM 0 HB3 HIS A 89 11.539 -1.984 -1.697 1.00 44.44 H new ATOM 0 HD2 HIS A 89 13.226 -2.865 0.303 1.00 20.42 H new ATOM 0 HE1 HIS A 89 16.230 -4.518 -2.189 1.00 31.02 H new ATOM 0 HE2 HIS A 89 15.594 -3.951 0.206 1.00 70.02 H new ATOM 1452 N HIS A 90 9.451 -4.000 -0.908 1.00 63.52 N ATOM 1453 CA HIS A 90 8.848 -4.696 0.242 1.00 65.45 C ATOM 1454 C HIS A 90 8.172 -6.005 -0.193 1.00 72.43 C ATOM 1455 O HIS A 90 8.109 -6.968 0.573 1.00 20.23 O ATOM 1456 CB HIS A 90 7.846 -3.788 0.972 1.00 62.10 C ATOM 1457 CG HIS A 90 8.494 -2.848 1.940 1.00 64.40 C ATOM 1458 ND1 HIS A 90 8.817 -1.546 1.633 1.00 43.43 N ATOM 1459 CD2 HIS A 90 8.897 -3.038 3.219 1.00 33.43 C ATOM 1460 CE1 HIS A 90 9.392 -0.978 2.675 1.00 4.52 C ATOM 1461 NE2 HIS A 90 9.453 -1.861 3.652 1.00 32.43 N ATOM 0 H HIS A 90 8.971 -3.146 -1.191 1.00 63.52 H new ATOM 0 HA HIS A 90 9.652 -4.945 0.935 1.00 65.45 H new ATOM 0 HB2 HIS A 90 7.286 -3.211 0.236 1.00 62.10 H new ATOM 0 HB3 HIS A 90 7.126 -4.409 1.506 1.00 62.10 H new ATOM 0 HD1 HIS A 90 8.639 -1.091 0.738 1.00 43.43 H new ATOM 0 HD2 HIS A 90 8.799 -3.948 3.792 1.00 33.43 H new ATOM 0 HE1 HIS A 90 9.752 0.039 2.720 1.00 4.52 H new ATOM 1470 N TYR A 91 7.684 -6.035 -1.430 1.00 33.44 N ATOM 1471 CA TYR A 91 7.048 -7.228 -1.991 1.00 44.22 C ATOM 1472 C TYR A 91 8.092 -8.326 -2.252 1.00 42.03 C ATOM 1473 O TYR A 91 7.892 -9.490 -1.893 1.00 14.52 O ATOM 1474 CB TYR A 91 6.323 -6.864 -3.294 1.00 4.23 C ATOM 1475 CG TYR A 91 5.421 -7.957 -3.832 1.00 65.41 C ATOM 1476 CD1 TYR A 91 5.908 -8.942 -4.689 1.00 24.11 C ATOM 1477 CD2 TYR A 91 4.077 -7.997 -3.485 1.00 23.24 C ATOM 1478 CE1 TYR A 91 5.078 -9.932 -5.178 1.00 43.42 C ATOM 1479 CE2 TYR A 91 3.246 -8.984 -3.971 1.00 41.33 C ATOM 1480 CZ TYR A 91 3.749 -9.949 -4.817 1.00 54.15 C ATOM 1481 OH TYR A 91 2.915 -10.932 -5.301 1.00 73.22 O ATOM 0 H TYR A 91 7.717 -5.241 -2.069 1.00 33.44 H new ATOM 0 HA TYR A 91 6.323 -7.610 -1.272 1.00 44.22 H new ATOM 0 HB2 TYR A 91 5.727 -5.967 -3.126 1.00 4.23 H new ATOM 0 HB3 TYR A 91 7.066 -6.616 -4.052 1.00 4.23 H new ATOM 0 HD1 TYR A 91 6.949 -8.931 -4.975 1.00 24.11 H new ATOM 0 HD2 TYR A 91 3.676 -7.243 -2.824 1.00 23.24 H new ATOM 0 HE1 TYR A 91 5.470 -10.690 -5.841 1.00 43.42 H new ATOM 0 HE2 TYR A 91 2.203 -9.001 -3.690 1.00 41.33 H new ATOM 0 HH TYR A 91 3.041 -11.753 -4.781 1.00 73.22 H new ATOM 1491 N THR A 92 9.210 -7.945 -2.873 1.00 3.35 N ATOM 1492 CA THR A 92 10.297 -8.884 -3.175 1.00 3.52 C ATOM 1493 C THR A 92 10.984 -9.387 -1.898 1.00 34.02 C ATOM 1494 O THR A 92 11.230 -10.585 -1.744 1.00 70.42 O ATOM 1495 CB THR A 92 11.363 -8.246 -4.098 1.00 4.41 C ATOM 1496 OG1 THR A 92 11.920 -7.073 -3.483 1.00 10.13 O ATOM 1497 CG2 THR A 92 10.766 -7.877 -5.450 1.00 52.23 C ATOM 0 H THR A 92 9.389 -6.988 -3.179 1.00 3.35 H new ATOM 0 HA THR A 92 9.836 -9.727 -3.689 1.00 3.52 H new ATOM 0 HB THR A 92 12.152 -8.982 -4.254 1.00 4.41 H new ATOM 0 HG1 THR A 92 12.593 -6.681 -4.077 1.00 10.13 H new ATOM 0 HG21 THR A 92 11.537 -7.431 -6.078 1.00 52.23 H new ATOM 0 HG22 THR A 92 10.378 -8.774 -5.933 1.00 52.23 H new ATOM 0 HG23 THR A 92 9.956 -7.162 -5.307 1.00 52.23 H new ATOM 1505 N THR A 93 11.300 -8.471 -0.981 1.00 41.13 N ATOM 1506 CA THR A 93 11.908 -8.849 0.307 1.00 75.02 C ATOM 1507 C THR A 93 10.898 -9.534 1.237 1.00 74.41 C ATOM 1508 O THR A 93 11.280 -10.116 2.253 1.00 61.23 O ATOM 1509 CB THR A 93 12.510 -7.636 1.055 1.00 21.22 C ATOM 1510 OG1 THR A 93 11.488 -6.671 1.340 1.00 2.12 O ATOM 1511 CG2 THR A 93 13.618 -6.980 0.239 1.00 3.40 C ATOM 0 H THR A 93 11.149 -7.469 -1.099 1.00 41.13 H new ATOM 0 HA THR A 93 12.707 -9.546 0.054 1.00 75.02 H new ATOM 0 HB THR A 93 12.937 -8.000 1.990 1.00 21.22 H new ATOM 0 HG1 THR A 93 11.384 -6.069 0.574 1.00 2.12 H new ATOM 0 HG21 THR A 93 14.022 -6.131 0.790 1.00 3.40 H new ATOM 0 HG22 THR A 93 14.412 -7.704 0.055 1.00 3.40 H new ATOM 0 HG23 THR A 93 13.214 -6.636 -0.713 1.00 3.40 H new ATOM 1519 N LYS A 94 9.611 -9.446 0.892 1.00 21.21 N ATOM 1520 CA LYS A 94 8.538 -10.090 1.664 1.00 23.01 C ATOM 1521 C LYS A 94 8.533 -9.578 3.121 1.00 25.24 C ATOM 1522 O LYS A 94 8.300 -10.332 4.068 1.00 42.32 O ATOM 1523 CB LYS A 94 8.707 -11.623 1.612 1.00 50.23 C ATOM 1524 CG LYS A 94 7.483 -12.415 2.071 1.00 72.51 C ATOM 1525 CD LYS A 94 6.264 -12.136 1.196 1.00 63.14 C ATOM 1526 CE LYS A 94 5.060 -12.976 1.612 1.00 50.22 C ATOM 1527 NZ LYS A 94 5.288 -14.428 1.394 1.00 72.14 N ATOM 0 H LYS A 94 9.282 -8.931 0.076 1.00 21.21 H new ATOM 0 HA LYS A 94 7.576 -9.832 1.221 1.00 23.01 H new ATOM 0 HB2 LYS A 94 8.949 -11.914 0.590 1.00 50.23 H new ATOM 0 HB3 LYS A 94 9.558 -11.903 2.233 1.00 50.23 H new ATOM 0 HG2 LYS A 94 7.710 -13.481 2.048 1.00 72.51 H new ATOM 0 HG3 LYS A 94 7.253 -12.161 3.106 1.00 72.51 H new ATOM 0 HD2 LYS A 94 6.007 -11.078 1.258 1.00 63.14 H new ATOM 0 HD3 LYS A 94 6.509 -12.344 0.155 1.00 63.14 H new ATOM 0 HE2 LYS A 94 4.841 -12.798 2.665 1.00 50.22 H new ATOM 0 HE3 LYS A 94 4.184 -12.658 1.046 1.00 50.22 H new ATOM 0 HZ1 LYS A 94 4.391 -14.942 1.511 1.00 72.14 H new ATOM 0 HZ2 LYS A 94 5.652 -14.582 0.432 1.00 72.14 H new ATOM 0 HZ3 LYS A 94 5.980 -14.778 2.086 1.00 72.14 H new ATOM 1541 N GLN A 95 8.788 -8.281 3.293 1.00 60.12 N ATOM 1542 CA GLN A 95 8.841 -7.668 4.626 1.00 53.35 C ATOM 1543 C GLN A 95 7.625 -6.776 4.906 1.00 74.31 C ATOM 1544 O GLN A 95 6.884 -6.398 3.997 1.00 64.44 O ATOM 1545 CB GLN A 95 10.147 -6.874 4.803 1.00 60.24 C ATOM 1546 CG GLN A 95 11.387 -7.759 4.881 1.00 11.40 C ATOM 1547 CD GLN A 95 11.323 -8.757 6.030 1.00 1.24 C ATOM 1548 OE1 GLN A 95 10.722 -9.905 5.790 1.00 51.24 O flip ATOM 1549 NE2 GLN A 95 11.795 -8.497 7.132 1.00 52.32 N flip ATOM 0 H GLN A 95 8.962 -7.631 2.526 1.00 60.12 H new ATOM 0 HA GLN A 95 8.817 -8.479 5.354 1.00 53.35 H new ATOM 0 HB2 GLN A 95 10.257 -6.179 3.970 1.00 60.24 H new ATOM 0 HB3 GLN A 95 10.079 -6.275 5.711 1.00 60.24 H new ATOM 0 HG2 GLN A 95 11.503 -8.299 3.941 1.00 11.40 H new ATOM 0 HG3 GLN A 95 12.270 -7.131 4.999 1.00 11.40 H new ATOM 0 HE21 GLN A 95 12.255 -7.601 7.291 1.00 52.32 H new ATOM 0 HE22 GLN A 95 11.727 -9.177 7.889 1.00 52.32 H new ATOM 1558 N VAL A 96 7.445 -6.438 6.181 1.00 44.15 N ATOM 1559 CA VAL A 96 6.260 -5.709 6.648 1.00 41.34 C ATOM 1560 C VAL A 96 6.274 -4.220 6.264 1.00 22.50 C ATOM 1561 O VAL A 96 7.324 -3.630 6.009 1.00 54.02 O ATOM 1562 CB VAL A 96 6.113 -5.831 8.186 1.00 44.24 C ATOM 1563 CG1 VAL A 96 5.947 -7.290 8.597 1.00 54.45 C ATOM 1564 CG2 VAL A 96 7.306 -5.196 8.899 1.00 41.23 C ATOM 0 H VAL A 96 8.112 -6.659 6.920 1.00 44.15 H new ATOM 0 HA VAL A 96 5.409 -6.172 6.148 1.00 41.34 H new ATOM 0 HB VAL A 96 5.216 -5.290 8.486 1.00 44.24 H new ATOM 0 HG11 VAL A 96 5.845 -7.354 9.680 1.00 54.45 H new ATOM 0 HG12 VAL A 96 5.055 -7.702 8.124 1.00 54.45 H new ATOM 0 HG13 VAL A 96 6.821 -7.859 8.281 1.00 54.45 H new ATOM 0 HG21 VAL A 96 7.180 -5.294 9.977 1.00 41.23 H new ATOM 0 HG22 VAL A 96 8.223 -5.700 8.594 1.00 41.23 H new ATOM 0 HG23 VAL A 96 7.367 -4.140 8.636 1.00 41.23 H new ATOM 1574 N ILE A 97 5.081 -3.630 6.227 1.00 10.41 N ATOM 1575 CA ILE A 97 4.913 -2.192 5.991 1.00 71.52 C ATOM 1576 C ILE A 97 5.328 -1.373 7.226 1.00 23.44 C ATOM 1577 O ILE A 97 6.185 -0.494 7.143 1.00 53.53 O ATOM 1578 CB ILE A 97 3.439 -1.871 5.626 1.00 50.25 C ATOM 1579 CG1 ILE A 97 3.052 -2.544 4.299 1.00 20.40 C ATOM 1580 CG2 ILE A 97 3.203 -0.365 5.544 1.00 62.03 C ATOM 1581 CD1 ILE A 97 3.859 -2.058 3.112 1.00 3.04 C ATOM 0 H ILE A 97 4.203 -4.132 6.359 1.00 10.41 H new ATOM 0 HA ILE A 97 5.560 -1.916 5.158 1.00 71.52 H new ATOM 0 HB ILE A 97 2.807 -2.269 6.419 1.00 50.25 H new ATOM 0 HG12 ILE A 97 3.180 -3.622 4.397 1.00 20.40 H new ATOM 0 HG13 ILE A 97 1.994 -2.365 4.106 1.00 20.40 H new ATOM 0 HG21 ILE A 97 2.161 -0.173 5.287 1.00 62.03 H new ATOM 0 HG22 ILE A 97 3.429 0.092 6.508 1.00 62.03 H new ATOM 0 HG23 ILE A 97 3.850 0.064 4.779 1.00 62.03 H new ATOM 0 HD11 ILE A 97 3.530 -2.577 2.212 1.00 3.04 H new ATOM 0 HD12 ILE A 97 3.712 -0.985 2.987 1.00 3.04 H new ATOM 0 HD13 ILE A 97 4.916 -2.262 3.283 1.00 3.04 H new ATOM 1593 N THR A 98 4.703 -1.664 8.368 1.00 20.42 N ATOM 1594 CA THR A 98 5.043 -1.004 9.640 1.00 62.10 C ATOM 1595 C THR A 98 5.331 -2.033 10.739 1.00 60.13 C ATOM 1596 O THR A 98 4.582 -2.998 10.913 1.00 34.33 O ATOM 1597 CB THR A 98 3.908 -0.075 10.147 1.00 64.51 C ATOM 1598 OG1 THR A 98 2.726 -0.845 10.425 1.00 3.23 O ATOM 1599 CG2 THR A 98 3.576 1.013 9.131 1.00 72.11 C ATOM 0 H THR A 98 3.956 -2.354 8.443 1.00 20.42 H new ATOM 0 HA THR A 98 5.931 -0.407 9.434 1.00 62.10 H new ATOM 0 HB THR A 98 4.260 0.405 11.060 1.00 64.51 H new ATOM 0 HG1 THR A 98 1.962 -0.454 9.952 1.00 3.23 H new ATOM 0 HG21 THR A 98 2.777 1.644 9.521 1.00 72.11 H new ATOM 0 HG22 THR A 98 4.461 1.621 8.947 1.00 72.11 H new ATOM 0 HG23 THR A 98 3.252 0.553 8.198 1.00 72.11 H new ATOM 1607 N LYS A 99 6.407 -1.815 11.488 1.00 40.31 N ATOM 1608 CA LYS A 99 6.754 -2.678 12.622 1.00 74.43 C ATOM 1609 C LYS A 99 5.772 -2.489 13.787 1.00 74.33 C ATOM 1610 O LYS A 99 5.705 -3.314 14.699 1.00 20.43 O ATOM 1611 CB LYS A 99 8.189 -2.390 13.088 1.00 40.34 C ATOM 1612 CG LYS A 99 9.263 -2.895 12.127 1.00 71.02 C ATOM 1613 CD LYS A 99 9.303 -4.423 12.079 1.00 24.43 C ATOM 1614 CE LYS A 99 10.372 -4.937 11.121 1.00 64.31 C ATOM 1615 NZ LYS A 99 10.519 -6.417 11.175 1.00 61.42 N ATOM 0 H LYS A 99 7.059 -1.046 11.333 1.00 40.31 H new ATOM 0 HA LYS A 99 6.687 -3.714 12.289 1.00 74.43 H new ATOM 0 HB2 LYS A 99 8.309 -1.315 13.220 1.00 40.34 H new ATOM 0 HB3 LYS A 99 8.343 -2.850 14.064 1.00 40.34 H new ATOM 0 HG2 LYS A 99 9.071 -2.504 11.128 1.00 71.02 H new ATOM 0 HG3 LYS A 99 10.237 -2.515 12.436 1.00 71.02 H new ATOM 0 HD2 LYS A 99 9.495 -4.812 13.079 1.00 24.43 H new ATOM 0 HD3 LYS A 99 8.328 -4.802 11.771 1.00 24.43 H new ATOM 0 HE2 LYS A 99 10.119 -4.637 10.104 1.00 64.31 H new ATOM 0 HE3 LYS A 99 11.327 -4.471 11.363 1.00 64.31 H new ATOM 0 HZ1 LYS A 99 11.257 -6.717 10.506 1.00 61.42 H new ATOM 0 HZ2 LYS A 99 10.787 -6.704 12.138 1.00 61.42 H new ATOM 0 HZ3 LYS A 99 9.616 -6.865 10.918 1.00 61.42 H new ATOM 1629 N LYS A 100 5.024 -1.387 13.759 1.00 3.42 N ATOM 1630 CA LYS A 100 3.975 -1.131 14.753 1.00 2.34 C ATOM 1631 C LYS A 100 2.736 -2.023 14.531 1.00 63.01 C ATOM 1632 O LYS A 100 1.962 -2.261 15.462 1.00 55.31 O ATOM 1633 CB LYS A 100 3.586 0.355 14.737 1.00 51.11 C ATOM 1634 CG LYS A 100 4.691 1.269 15.263 1.00 14.54 C ATOM 1635 CD LYS A 100 4.343 2.750 15.128 1.00 11.22 C ATOM 1636 CE LYS A 100 4.248 3.185 13.669 1.00 41.44 C ATOM 1637 NZ LYS A 100 4.153 4.663 13.539 1.00 52.04 N ATOM 0 H LYS A 100 5.123 -0.653 13.058 1.00 3.42 H new ATOM 0 HA LYS A 100 4.378 -1.384 15.734 1.00 2.34 H new ATOM 0 HB2 LYS A 100 3.335 0.648 13.718 1.00 51.11 H new ATOM 0 HB3 LYS A 100 2.689 0.496 15.339 1.00 51.11 H new ATOM 0 HG2 LYS A 100 4.880 1.038 16.311 1.00 14.54 H new ATOM 0 HG3 LYS A 100 5.614 1.066 14.721 1.00 14.54 H new ATOM 0 HD2 LYS A 100 3.394 2.946 15.627 1.00 11.22 H new ATOM 0 HD3 LYS A 100 5.100 3.348 15.636 1.00 11.22 H new ATOM 0 HE2 LYS A 100 5.123 2.828 13.125 1.00 41.44 H new ATOM 0 HE3 LYS A 100 3.375 2.723 13.208 1.00 41.44 H new ATOM 0 HZ1 LYS A 100 4.090 4.920 12.533 1.00 52.04 H new ATOM 0 HZ2 LYS A 100 3.305 5.001 14.036 1.00 52.04 H new ATOM 0 HZ3 LYS A 100 4.998 5.103 13.956 1.00 52.04 H new ATOM 1651 N SER A 101 2.550 -2.516 13.300 1.00 54.35 N ATOM 1652 CA SER A 101 1.441 -3.441 12.993 1.00 41.33 C ATOM 1653 C SER A 101 1.968 -4.843 12.648 1.00 60.03 C ATOM 1654 O SER A 101 1.686 -5.815 13.349 1.00 62.52 O ATOM 1655 CB SER A 101 0.592 -2.911 11.825 1.00 53.55 C ATOM 1656 OG SER A 101 -0.503 -3.769 11.529 1.00 71.21 O ATOM 0 H SER A 101 3.146 -2.295 12.503 1.00 54.35 H new ATOM 0 HA SER A 101 0.818 -3.509 13.885 1.00 41.33 H new ATOM 0 HB2 SER A 101 0.218 -1.917 12.071 1.00 53.55 H new ATOM 0 HB3 SER A 101 1.219 -2.805 10.940 1.00 53.55 H new ATOM 0 HG SER A 101 -1.106 -3.324 10.897 1.00 71.21 H new ATOM 1662 N GLY A 102 2.748 -4.937 11.571 1.00 25.15 N ATOM 1663 CA GLY A 102 3.287 -6.222 11.134 1.00 1.00 C ATOM 1664 C GLY A 102 2.529 -6.826 9.952 1.00 52.33 C ATOM 1665 O GLY A 102 2.180 -8.008 9.966 1.00 41.41 O ATOM 0 H GLY A 102 3.019 -4.144 10.990 1.00 25.15 H new ATOM 0 HA2 GLY A 102 4.334 -6.094 10.858 1.00 1.00 H new ATOM 0 HA3 GLY A 102 3.261 -6.922 11.969 1.00 1.00 H new ATOM 1669 N VAL A 103 2.276 -6.015 8.923 1.00 3.20 N ATOM 1670 CA VAL A 103 1.555 -6.473 7.724 1.00 33.20 C ATOM 1671 C VAL A 103 2.503 -6.648 6.522 1.00 15.32 C ATOM 1672 O VAL A 103 3.273 -5.747 6.197 1.00 20.12 O ATOM 1673 CB VAL A 103 0.431 -5.481 7.335 1.00 73.31 C ATOM 1674 CG1 VAL A 103 -0.318 -5.968 6.095 1.00 74.24 C ATOM 1675 CG2 VAL A 103 -0.531 -5.270 8.501 1.00 44.54 C ATOM 0 H VAL A 103 2.558 -5.035 8.892 1.00 3.20 H new ATOM 0 HA VAL A 103 1.118 -7.440 7.974 1.00 33.20 H new ATOM 0 HB VAL A 103 0.892 -4.522 7.097 1.00 73.31 H new ATOM 0 HG11 VAL A 103 -1.103 -5.255 5.841 1.00 74.24 H new ATOM 0 HG12 VAL A 103 0.378 -6.055 5.260 1.00 74.24 H new ATOM 0 HG13 VAL A 103 -0.764 -6.942 6.298 1.00 74.24 H new ATOM 0 HG21 VAL A 103 -1.312 -4.570 8.206 1.00 44.54 H new ATOM 0 HG22 VAL A 103 -0.983 -6.223 8.777 1.00 44.54 H new ATOM 0 HG23 VAL A 103 0.014 -4.867 9.354 1.00 44.54 H new ATOM 1685 N VAL A 104 2.427 -7.803 5.857 1.00 25.13 N ATOM 1686 CA VAL A 104 3.298 -8.112 4.708 1.00 73.04 C ATOM 1687 C VAL A 104 2.543 -7.981 3.369 1.00 55.21 C ATOM 1688 O VAL A 104 1.330 -8.180 3.310 1.00 32.35 O ATOM 1689 CB VAL A 104 3.881 -9.546 4.827 1.00 54.34 C ATOM 1690 CG1 VAL A 104 4.905 -9.819 3.728 1.00 44.53 C ATOM 1691 CG2 VAL A 104 4.499 -9.767 6.208 1.00 31.24 C ATOM 0 H VAL A 104 1.769 -8.547 6.092 1.00 25.13 H new ATOM 0 HA VAL A 104 4.111 -7.386 4.722 1.00 73.04 H new ATOM 0 HB VAL A 104 3.059 -10.251 4.702 1.00 54.34 H new ATOM 0 HG11 VAL A 104 5.295 -10.831 3.838 1.00 44.53 H new ATOM 0 HG12 VAL A 104 4.428 -9.718 2.753 1.00 44.53 H new ATOM 0 HG13 VAL A 104 5.724 -9.104 3.808 1.00 44.53 H new ATOM 0 HG21 VAL A 104 4.901 -10.778 6.269 1.00 31.24 H new ATOM 0 HG22 VAL A 104 5.302 -9.047 6.367 1.00 31.24 H new ATOM 0 HG23 VAL A 104 3.735 -9.634 6.974 1.00 31.24 H new ATOM 1701 N LEU A 105 3.274 -7.654 2.298 1.00 54.42 N ATOM 1702 CA LEU A 105 2.680 -7.490 0.961 1.00 34.34 C ATOM 1703 C LEU A 105 2.772 -8.777 0.122 1.00 34.43 C ATOM 1704 O LEU A 105 3.861 -9.310 -0.106 1.00 33.35 O ATOM 1705 CB LEU A 105 3.372 -6.345 0.206 1.00 35.23 C ATOM 1706 CG LEU A 105 3.227 -4.953 0.834 1.00 14.32 C ATOM 1707 CD1 LEU A 105 3.990 -3.921 0.009 1.00 75.32 C ATOM 1708 CD2 LEU A 105 1.752 -4.566 0.956 1.00 0.02 C ATOM 0 H LEU A 105 4.281 -7.497 2.328 1.00 54.42 H new ATOM 0 HA LEU A 105 1.626 -7.257 1.109 1.00 34.34 H new ATOM 0 HB2 LEU A 105 4.434 -6.578 0.124 1.00 35.23 H new ATOM 0 HB3 LEU A 105 2.974 -6.310 -0.808 1.00 35.23 H new ATOM 0 HG LEU A 105 3.653 -4.978 1.837 1.00 14.32 H new ATOM 0 HD11 LEU A 105 3.879 -2.937 0.465 1.00 75.32 H new ATOM 0 HD12 LEU A 105 5.046 -4.189 -0.023 1.00 75.32 H new ATOM 0 HD13 LEU A 105 3.590 -3.898 -1.005 1.00 75.32 H new ATOM 0 HD21 LEU A 105 1.672 -3.575 1.404 1.00 0.02 H new ATOM 0 HD22 LEU A 105 1.296 -4.555 -0.034 1.00 0.02 H new ATOM 0 HD23 LEU A 105 1.236 -5.291 1.585 1.00 0.02 H new ATOM 1720 N LEU A 106 1.620 -9.269 -0.328 1.00 4.24 N ATOM 1721 CA LEU A 106 1.552 -10.425 -1.231 1.00 73.23 C ATOM 1722 C LEU A 106 0.417 -10.249 -2.259 1.00 65.02 C ATOM 1723 O LEU A 106 -0.542 -9.529 -1.999 1.00 65.43 O ATOM 1724 CB LEU A 106 1.353 -11.735 -0.443 1.00 43.52 C ATOM 1725 CG LEU A 106 0.111 -11.786 0.473 1.00 53.43 C ATOM 1726 CD1 LEU A 106 -0.263 -13.229 0.807 1.00 51.11 C ATOM 1727 CD2 LEU A 106 0.350 -10.996 1.763 1.00 34.03 C ATOM 0 H LEU A 106 0.709 -8.883 -0.081 1.00 4.24 H new ATOM 0 HA LEU A 106 2.501 -10.485 -1.763 1.00 73.23 H new ATOM 0 HB2 LEU A 106 1.291 -12.559 -1.154 1.00 43.52 H new ATOM 0 HB3 LEU A 106 2.239 -11.908 0.168 1.00 43.52 H new ATOM 0 HG LEU A 106 -0.717 -11.328 -0.068 1.00 53.43 H new ATOM 0 HD11 LEU A 106 -1.141 -13.237 1.453 1.00 51.11 H new ATOM 0 HD12 LEU A 106 -0.485 -13.770 -0.113 1.00 51.11 H new ATOM 0 HD13 LEU A 106 0.569 -13.711 1.320 1.00 51.11 H new ATOM 0 HD21 LEU A 106 -0.539 -11.047 2.391 1.00 34.03 H new ATOM 0 HD22 LEU A 106 1.198 -11.422 2.299 1.00 34.03 H new ATOM 0 HD23 LEU A 106 0.562 -9.955 1.518 1.00 34.03 H new ATOM 1739 N ASN A 107 0.554 -10.909 -3.418 1.00 72.40 N ATOM 1740 CA ASN A 107 -0.453 -10.896 -4.511 1.00 3.13 C ATOM 1741 C ASN A 107 -1.242 -9.564 -4.652 1.00 53.11 C ATOM 1742 O ASN A 107 -2.311 -9.389 -4.065 1.00 32.10 O ATOM 1743 CB ASN A 107 -1.404 -12.118 -4.413 1.00 63.34 C ATOM 1744 CG ASN A 107 -1.993 -12.393 -3.027 1.00 54.30 C ATOM 1745 OD1 ASN A 107 -2.319 -11.368 -2.268 1.00 72.45 O flip ATOM 1746 ND2 ASN A 107 -2.184 -13.545 -2.645 1.00 63.14 N flip ATOM 0 H ASN A 107 1.374 -11.476 -3.634 1.00 72.40 H new ATOM 0 HA ASN A 107 0.124 -10.975 -5.433 1.00 3.13 H new ATOM 0 HB2 ASN A 107 -2.226 -11.972 -5.114 1.00 63.34 H new ATOM 0 HB3 ASN A 107 -0.860 -13.005 -4.739 1.00 63.34 H new ATOM 0 HD21 ASN A 107 -1.927 -14.330 -3.243 1.00 63.14 H new ATOM 0 HD22 ASN A 107 -2.600 -13.716 -1.730 1.00 63.14 H new ATOM 1753 N PRO A 108 -0.722 -8.608 -5.457 1.00 52.22 N ATOM 1754 CA PRO A 108 -1.378 -7.304 -5.678 1.00 24.12 C ATOM 1755 C PRO A 108 -2.674 -7.407 -6.508 1.00 45.15 C ATOM 1756 O PRO A 108 -2.770 -8.216 -7.436 1.00 12.33 O ATOM 1757 CB PRO A 108 -0.319 -6.484 -6.448 1.00 33.35 C ATOM 1758 CG PRO A 108 0.950 -7.273 -6.351 1.00 40.40 C ATOM 1759 CD PRO A 108 0.535 -8.709 -6.210 1.00 24.41 C ATOM 0 HA PRO A 108 -1.687 -6.857 -4.733 1.00 24.12 H new ATOM 0 HB2 PRO A 108 -0.613 -6.342 -7.488 1.00 33.35 H new ATOM 0 HB3 PRO A 108 -0.198 -5.492 -6.012 1.00 33.35 H new ATOM 0 HG2 PRO A 108 1.567 -7.130 -7.238 1.00 40.40 H new ATOM 0 HG3 PRO A 108 1.544 -6.953 -5.495 1.00 40.40 H new ATOM 0 HD2 PRO A 108 0.389 -9.186 -7.179 1.00 24.41 H new ATOM 0 HD3 PRO A 108 1.282 -9.296 -5.675 1.00 24.41 H new ATOM 1767 N ILE A 109 -3.661 -6.570 -6.181 1.00 1.52 N ATOM 1768 CA ILE A 109 -4.940 -6.561 -6.904 1.00 61.23 C ATOM 1769 C ILE A 109 -4.879 -5.656 -8.153 1.00 41.52 C ATOM 1770 O ILE A 109 -4.679 -4.441 -8.037 1.00 11.43 O ATOM 1771 CB ILE A 109 -6.095 -6.090 -5.984 1.00 11.33 C ATOM 1772 CG1 ILE A 109 -6.208 -7.010 -4.751 1.00 23.42 C ATOM 1773 CG2 ILE A 109 -7.417 -6.053 -6.756 1.00 2.10 C ATOM 1774 CD1 ILE A 109 -6.465 -8.468 -5.087 1.00 44.54 C ATOM 0 H ILE A 109 -3.602 -5.890 -5.423 1.00 1.52 H new ATOM 0 HA ILE A 109 -5.131 -7.585 -7.224 1.00 61.23 H new ATOM 0 HB ILE A 109 -5.874 -5.080 -5.640 1.00 11.33 H new ATOM 0 HG12 ILE A 109 -5.287 -6.939 -4.172 1.00 23.42 H new ATOM 0 HG13 ILE A 109 -7.014 -6.648 -4.113 1.00 23.42 H new ATOM 0 HG21 ILE A 109 -8.216 -5.720 -6.094 1.00 2.10 H new ATOM 0 HG22 ILE A 109 -7.329 -5.362 -7.595 1.00 2.10 H new ATOM 0 HG23 ILE A 109 -7.648 -7.050 -7.130 1.00 2.10 H new ATOM 0 HD11 ILE A 109 -6.531 -9.047 -4.166 1.00 44.54 H new ATOM 0 HD12 ILE A 109 -7.401 -8.555 -5.638 1.00 44.54 H new ATOM 0 HD13 ILE A 109 -5.647 -8.850 -5.698 1.00 44.54 H new ATOM 1786 N PRO A 110 -5.060 -6.238 -9.365 1.00 74.02 N ATOM 1787 CA PRO A 110 -5.002 -5.481 -10.635 1.00 12.33 C ATOM 1788 C PRO A 110 -5.951 -4.267 -10.670 1.00 44.41 C ATOM 1789 O PRO A 110 -7.010 -4.271 -10.040 1.00 71.21 O ATOM 1790 CB PRO A 110 -5.415 -6.523 -11.688 1.00 0.34 C ATOM 1791 CG PRO A 110 -5.078 -7.838 -11.071 1.00 61.02 C ATOM 1792 CD PRO A 110 -5.328 -7.673 -9.595 1.00 53.54 C ATOM 0 HA PRO A 110 -4.013 -5.051 -10.797 1.00 12.33 H new ATOM 0 HB2 PRO A 110 -6.478 -6.454 -11.918 1.00 0.34 H new ATOM 0 HB3 PRO A 110 -4.877 -6.375 -12.624 1.00 0.34 H new ATOM 0 HG2 PRO A 110 -5.696 -8.635 -11.486 1.00 61.02 H new ATOM 0 HG3 PRO A 110 -4.039 -8.106 -11.264 1.00 61.02 H new ATOM 0 HD2 PRO A 110 -6.351 -7.939 -9.328 1.00 53.54 H new ATOM 0 HD3 PRO A 110 -4.668 -8.306 -9.002 1.00 53.54 H new ATOM 1800 N LYS A 111 -5.561 -3.231 -11.415 1.00 44.42 N ATOM 1801 CA LYS A 111 -6.344 -1.990 -11.490 1.00 23.23 C ATOM 1802 C LYS A 111 -7.645 -2.171 -12.289 1.00 75.52 C ATOM 1803 O LYS A 111 -7.712 -2.966 -13.230 1.00 74.31 O ATOM 1804 CB LYS A 111 -5.496 -0.844 -12.082 1.00 74.33 C ATOM 1805 CG LYS A 111 -4.806 -1.169 -13.409 1.00 60.40 C ATOM 1806 CD LYS A 111 -4.005 0.026 -13.930 1.00 13.22 C ATOM 1807 CE LYS A 111 -3.225 -0.302 -15.202 1.00 72.12 C ATOM 1808 NZ LYS A 111 -2.113 -1.260 -14.952 1.00 13.10 N ATOM 0 H LYS A 111 -4.709 -3.224 -11.976 1.00 44.42 H new ATOM 0 HA LYS A 111 -6.626 -1.727 -10.471 1.00 23.23 H new ATOM 0 HB2 LYS A 111 -6.138 0.025 -12.227 1.00 74.33 H new ATOM 0 HB3 LYS A 111 -4.736 -0.561 -11.354 1.00 74.33 H new ATOM 0 HG2 LYS A 111 -4.142 -2.023 -13.276 1.00 60.40 H new ATOM 0 HG3 LYS A 111 -5.553 -1.458 -14.148 1.00 60.40 H new ATOM 0 HD2 LYS A 111 -4.684 0.856 -14.128 1.00 13.22 H new ATOM 0 HD3 LYS A 111 -3.311 0.359 -13.158 1.00 13.22 H new ATOM 0 HE2 LYS A 111 -3.904 -0.723 -15.944 1.00 72.12 H new ATOM 0 HE3 LYS A 111 -2.821 0.618 -15.625 1.00 72.12 H new ATOM 0 HZ1 LYS A 111 -1.634 -1.478 -15.849 1.00 13.10 H new ATOM 0 HZ2 LYS A 111 -1.432 -0.836 -14.290 1.00 13.10 H new ATOM 0 HZ3 LYS A 111 -2.495 -2.136 -14.542 1.00 13.10 H new ATOM 1822 N ASP A 112 -8.677 -1.427 -11.900 1.00 5.15 N ATOM 1823 CA ASP A 112 -9.995 -1.525 -12.535 1.00 10.45 C ATOM 1824 C ASP A 112 -10.099 -0.597 -13.757 1.00 22.31 C ATOM 1825 O ASP A 112 -10.099 0.628 -13.626 1.00 20.03 O ATOM 1826 CB ASP A 112 -11.125 -1.211 -11.529 1.00 60.45 C ATOM 1827 CG ASP A 112 -10.615 -0.684 -10.195 1.00 11.35 C ATOM 1828 OD1 ASP A 112 -9.924 0.355 -10.181 1.00 72.53 O ATOM 1829 OD2 ASP A 112 -10.895 -1.308 -9.148 1.00 64.01 O ATOM 0 H ASP A 112 -8.628 -0.745 -11.144 1.00 5.15 H new ATOM 0 HA ASP A 112 -10.113 -2.554 -12.876 1.00 10.45 H new ATOM 0 HB2 ASP A 112 -11.799 -0.476 -11.968 1.00 60.45 H new ATOM 0 HB3 ASP A 112 -11.709 -2.115 -11.355 1.00 60.45 H new ATOM 1834 N LYS A 113 -10.192 -1.195 -14.942 1.00 31.34 N ATOM 1835 CA LYS A 113 -10.352 -0.445 -16.196 1.00 5.45 C ATOM 1836 C LYS A 113 -11.789 0.070 -16.372 1.00 60.42 C ATOM 1837 O LYS A 113 -12.070 0.860 -17.276 1.00 61.45 O ATOM 1838 CB LYS A 113 -9.968 -1.339 -17.385 1.00 62.12 C ATOM 1839 CG LYS A 113 -8.475 -1.644 -17.476 1.00 61.15 C ATOM 1840 CD LYS A 113 -7.652 -0.408 -17.858 1.00 43.33 C ATOM 1841 CE LYS A 113 -7.811 -0.021 -19.333 1.00 4.40 C ATOM 1842 NZ LYS A 113 -9.177 0.475 -19.668 1.00 63.43 N ATOM 0 H LYS A 113 -10.159 -2.207 -15.066 1.00 31.34 H new ATOM 0 HA LYS A 113 -9.692 0.422 -16.156 1.00 5.45 H new ATOM 0 HB2 LYS A 113 -10.516 -2.278 -17.312 1.00 62.12 H new ATOM 0 HB3 LYS A 113 -10.286 -0.855 -18.308 1.00 62.12 H new ATOM 0 HG2 LYS A 113 -8.126 -2.029 -16.518 1.00 61.15 H new ATOM 0 HG3 LYS A 113 -8.311 -2.429 -18.214 1.00 61.15 H new ATOM 0 HD2 LYS A 113 -7.954 0.432 -17.232 1.00 43.33 H new ATOM 0 HD3 LYS A 113 -6.599 -0.599 -17.649 1.00 43.33 H new ATOM 0 HE2 LYS A 113 -7.081 0.750 -19.580 1.00 4.40 H new ATOM 0 HE3 LYS A 113 -7.583 -0.886 -19.955 1.00 4.40 H new ATOM 0 HZ1 LYS A 113 -9.105 1.256 -20.351 1.00 63.43 H new ATOM 0 HZ2 LYS A 113 -9.735 -0.298 -20.083 1.00 63.43 H new ATOM 0 HZ3 LYS A 113 -9.645 0.814 -18.803 1.00 63.43 H new ATOM 1856 N LYS A 114 -12.696 -0.382 -15.510 1.00 65.24 N ATOM 1857 CA LYS A 114 -14.102 0.022 -15.588 1.00 74.51 C ATOM 1858 C LYS A 114 -14.307 1.450 -15.062 1.00 72.31 C ATOM 1859 O LYS A 114 -14.586 1.667 -13.884 1.00 2.12 O ATOM 1860 CB LYS A 114 -15.006 -0.971 -14.832 1.00 30.51 C ATOM 1861 CG LYS A 114 -15.193 -2.314 -15.543 1.00 4.54 C ATOM 1862 CD LYS A 114 -13.888 -3.101 -15.654 1.00 63.32 C ATOM 1863 CE LYS A 114 -14.054 -4.362 -16.498 1.00 34.31 C ATOM 1864 NZ LYS A 114 -14.423 -4.045 -17.907 1.00 55.53 N ATOM 0 H LYS A 114 -12.485 -1.028 -14.749 1.00 65.24 H new ATOM 0 HA LYS A 114 -14.386 0.010 -16.640 1.00 74.51 H new ATOM 0 HB2 LYS A 114 -14.582 -1.151 -13.844 1.00 30.51 H new ATOM 0 HB3 LYS A 114 -15.984 -0.513 -14.681 1.00 30.51 H new ATOM 0 HG2 LYS A 114 -15.928 -2.909 -15.002 1.00 4.54 H new ATOM 0 HG3 LYS A 114 -15.596 -2.141 -16.541 1.00 4.54 H new ATOM 0 HD2 LYS A 114 -13.118 -2.468 -16.095 1.00 63.32 H new ATOM 0 HD3 LYS A 114 -13.543 -3.374 -14.657 1.00 63.32 H new ATOM 0 HE2 LYS A 114 -13.125 -4.932 -16.486 1.00 34.31 H new ATOM 0 HE3 LYS A 114 -14.822 -4.996 -16.056 1.00 34.31 H new ATOM 0 HZ1 LYS A 114 -14.280 -4.886 -18.501 1.00 55.53 H new ATOM 0 HZ2 LYS A 114 -15.422 -3.758 -17.948 1.00 55.53 H new ATOM 0 HZ3 LYS A 114 -13.825 -3.269 -18.256 1.00 55.53 H new ATOM 1878 N TRP A 115 -14.154 2.416 -15.962 1.00 23.52 N ATOM 1879 CA TRP A 115 -14.374 3.838 -15.655 1.00 31.44 C ATOM 1880 C TRP A 115 -15.868 4.172 -15.491 1.00 64.10 C ATOM 1881 O TRP A 115 -16.228 5.316 -15.227 1.00 12.14 O ATOM 1882 CB TRP A 115 -13.766 4.703 -16.774 1.00 55.10 C ATOM 1883 CG TRP A 115 -14.189 4.277 -18.157 1.00 70.13 C ATOM 1884 CD1 TRP A 115 -13.505 3.445 -19.000 1.00 63.15 C ATOM 1885 CD2 TRP A 115 -15.393 4.647 -18.853 1.00 52.23 C ATOM 1886 NE1 TRP A 115 -14.206 3.278 -20.170 1.00 65.23 N ATOM 1887 CE2 TRP A 115 -15.366 4.002 -20.104 1.00 3.33 C ATOM 1888 CE3 TRP A 115 -16.488 5.456 -18.536 1.00 73.42 C ATOM 1889 CZ2 TRP A 115 -16.392 4.145 -21.038 1.00 54.12 C ATOM 1890 CZ3 TRP A 115 -17.503 5.598 -19.464 1.00 11.41 C ATOM 1891 CH2 TRP A 115 -17.451 4.943 -20.701 1.00 61.23 C ATOM 0 H TRP A 115 -13.874 2.242 -16.927 1.00 23.52 H new ATOM 0 HA TRP A 115 -13.886 4.053 -14.705 1.00 31.44 H new ATOM 0 HB2 TRP A 115 -14.055 5.742 -16.618 1.00 55.10 H new ATOM 0 HB3 TRP A 115 -12.679 4.661 -16.706 1.00 55.10 H new ATOM 0 HD1 TRP A 115 -12.553 2.986 -18.778 1.00 63.15 H new ATOM 0 HE1 TRP A 115 -13.910 2.706 -20.961 1.00 65.23 H new ATOM 0 HE3 TRP A 115 -16.540 5.961 -17.583 1.00 73.42 H new ATOM 0 HZ2 TRP A 115 -16.352 3.643 -21.994 1.00 54.12 H new ATOM 0 HZ3 TRP A 115 -18.351 6.225 -19.231 1.00 11.41 H new ATOM 0 HH2 TRP A 115 -18.262 5.070 -21.402 1.00 61.23 H new ATOM 1902 N ILE A 116 -16.728 3.166 -15.656 1.00 60.42 N ATOM 1903 CA ILE A 116 -18.188 3.353 -15.597 1.00 11.35 C ATOM 1904 C ILE A 116 -18.718 3.592 -14.155 1.00 64.13 C ATOM 1905 O ILE A 116 -18.760 2.636 -13.349 1.00 38.09 O ATOM 1906 CB ILE A 116 -18.925 2.152 -16.253 1.00 34.02 C ATOM 1907 CG1 ILE A 116 -18.391 0.811 -15.709 1.00 11.21 C ATOM 1908 CG2 ILE A 116 -18.786 2.208 -17.776 1.00 63.25 C ATOM 1909 CD1 ILE A 116 -19.089 -0.405 -16.277 1.00 42.41 C ATOM 1910 OXT ILE A 116 -19.111 4.743 -13.844 1.00 38.09 O ATOM 0 H ILE A 116 -16.440 2.204 -15.833 1.00 60.42 H new ATOM 0 HA ILE A 116 -18.402 4.260 -16.163 1.00 11.35 H new ATOM 0 HB ILE A 116 -19.982 2.222 -15.997 1.00 34.02 H new ATOM 0 HG12 ILE A 116 -17.325 0.741 -15.927 1.00 11.21 H new ATOM 0 HG13 ILE A 116 -18.495 0.803 -14.624 1.00 11.21 H new ATOM 0 HG21 ILE A 116 -19.307 1.360 -18.220 1.00 63.25 H new ATOM 0 HG22 ILE A 116 -19.220 3.136 -18.147 1.00 63.25 H new ATOM 0 HG23 ILE A 116 -17.731 2.167 -18.047 1.00 63.25 H new ATOM 0 HD11 ILE A 116 -18.656 -1.308 -15.845 1.00 42.41 H new ATOM 0 HD12 ILE A 116 -20.151 -0.360 -16.036 1.00 42.41 H new ATOM 0 HD13 ILE A 116 -18.963 -0.424 -17.360 1.00 42.41 H new TER 1922 ILE A 116