USER MOD reduce.3.24.130724 H: found=0, std=0, add=834, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 834 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 16 ASN : amide:sc= -1.29 X(o=1.6,f=1.9) USER MOD Set 1.2: A 58 THR OG1 : rot 177:sc= 2 USER MOD Set 1.3: A 79 TYR OH : rot 30:sc= 0.907 USER MOD Set 2.1: A 59 SER OG : rot 86:sc= 0.574 USER MOD Set 2.2: A 97 THR OG1 : rot 180:sc= 0.59 USER MOD Set 3.1: A 18 ASN : amide:sc= -0.12 K(o=0.15,f=-0.7) USER MOD Set 3.2: A 24 THR OG1 : rot -160:sc= 1.07 USER MOD Set 3.3: A 27 TYR OH : rot 50:sc= 0.47 USER MOD Set 3.4: A 50 LYS NZ :NH3+ -158:sc= -1.27 (180deg=-2.44!) USER MOD Set 4.1: A 35 SER OG : rot 180:sc= 0.501 USER MOD Set 4.2: A 39 LYS NZ :NH3+ -154:sc= 0.553 (180deg=0) USER MOD Set 5.1: A 13 GLN : amide:sc= -0.724 K(o=-0.69,f=-0.047) USER MOD Set 5.2: A 30 THR OG1 : rot -76:sc= 0.0304 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 3 HIS : no HD1:sc= -0.809 K(o=-0.81,f=-0.22) USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 6 HIS : no HD1:sc= -0.0255 X(o=-0.025,f=-0.45) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 9 SER OG : rot 42:sc= 0.19 USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 ASN : amide:sc= 0.422 X(o=0.42,f=0) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 LYS NZ :NH3+ -155:sc= -0.773 (180deg=-1.84!) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.0174 USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc=-0.00753 USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=-0.087) USER MOD Single : A 45 LYS NZ :NH3+ 174:sc= 0.279 (180deg=0.256) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.044) USER MOD Single : A 51 GLN : amide:sc= -0.877 K(o=-0.88,f=-5.2!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot 38:sc= 0.249 USER MOD Single : A 61 THR OG1 : rot -150:sc= -1.14 USER MOD Single : A 64 THR OG1 : rot -85:sc= -0.117 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ -128:sc= -0.0415 (180deg=-0.642) USER MOD Single : A 70 LYS NZ :NH3+ 146:sc= 0.906 (180deg=0.18) USER MOD Single : A 77 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0996) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 ASN : amide:sc= -0.132 K(o=-0.13,f=-0.68) USER MOD Single : A 88 ASN : amide:sc= -0.0257 K(o=-0.026,f=-0.53) USER MOD Single : A 90 THR OG1 : rot -0:sc= 0.668 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 GLN : amide:sc= -0.174 X(o=-0.17,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -3.517 37.708 -7.743 1.00 44.03 N ATOM 2 CA MET A 1 -3.180 36.268 -7.846 1.00 54.13 C ATOM 3 C MET A 1 -1.653 36.097 -7.751 1.00 34.11 C ATOM 4 O MET A 1 -0.934 36.274 -8.739 1.00 72.44 O ATOM 5 CB MET A 1 -3.763 35.674 -9.170 1.00 3.21 C ATOM 6 CG MET A 1 -3.513 34.173 -9.389 1.00 42.14 C ATOM 7 SD MET A 1 -4.155 33.155 -8.041 1.00 2.24 S ATOM 8 CE MET A 1 -3.636 31.516 -8.553 1.00 63.23 C ATOM 0 H1 MET A 1 -4.548 37.829 -7.807 1.00 44.03 H new ATOM 0 H2 MET A 1 -3.181 38.079 -6.831 1.00 44.03 H new ATOM 0 H3 MET A 1 -3.059 38.228 -8.519 1.00 44.03 H new ATOM 0 HA MET A 1 -3.631 35.715 -7.022 1.00 54.13 H new ATOM 0 HB2 MET A 1 -4.838 35.851 -9.184 1.00 3.21 H new ATOM 0 HB3 MET A 1 -3.338 36.222 -10.011 1.00 3.21 H new ATOM 0 HG2 MET A 1 -3.978 33.864 -10.325 1.00 42.14 H new ATOM 0 HG3 MET A 1 -2.442 33.999 -9.492 1.00 42.14 H new ATOM 0 HE1 MET A 1 -3.964 30.784 -7.815 1.00 63.23 H new ATOM 0 HE2 MET A 1 -4.079 31.280 -9.520 1.00 63.23 H new ATOM 0 HE3 MET A 1 -2.549 31.487 -8.635 1.00 63.23 H new ATOM 20 N HIS A 2 -1.162 35.837 -6.521 1.00 24.10 N ATOM 21 CA HIS A 2 0.252 35.514 -6.245 1.00 14.43 C ATOM 22 C HIS A 2 0.309 34.355 -5.236 1.00 61.22 C ATOM 23 O HIS A 2 0.028 34.540 -4.041 1.00 14.21 O ATOM 24 CB HIS A 2 1.031 36.747 -5.702 1.00 2.22 C ATOM 25 CG HIS A 2 1.254 37.837 -6.727 1.00 34.21 C ATOM 26 ND1 HIS A 2 0.874 39.148 -6.541 1.00 65.34 N ATOM 27 CD2 HIS A 2 1.843 37.794 -7.950 1.00 41.45 C ATOM 28 CE1 HIS A 2 1.199 39.851 -7.609 1.00 10.31 C ATOM 29 NE2 HIS A 2 1.794 39.058 -8.475 1.00 10.35 N ATOM 0 H HIS A 2 -1.743 35.846 -5.683 1.00 24.10 H new ATOM 0 HA HIS A 2 0.731 35.220 -7.179 1.00 14.43 H new ATOM 0 HB2 HIS A 2 0.485 37.165 -4.856 1.00 2.22 H new ATOM 0 HB3 HIS A 2 1.998 36.415 -5.324 1.00 2.22 H new ATOM 0 HD2 HIS A 2 2.272 36.922 -8.422 1.00 41.45 H new ATOM 0 HE1 HIS A 2 1.008 40.905 -7.750 1.00 10.31 H new ATOM 0 HE2 HIS A 2 2.158 39.338 -9.386 1.00 10.35 H new ATOM 38 N HIS A 3 0.644 33.161 -5.743 1.00 40.11 N ATOM 39 CA HIS A 3 0.678 31.925 -4.949 1.00 44.24 C ATOM 40 C HIS A 3 1.936 31.871 -4.044 1.00 14.01 C ATOM 41 O HIS A 3 3.029 31.497 -4.481 1.00 3.20 O ATOM 42 CB HIS A 3 0.561 30.666 -5.871 1.00 1.40 C ATOM 43 CG HIS A 3 1.712 30.424 -6.834 1.00 71.33 C ATOM 44 ND1 HIS A 3 2.244 29.172 -7.072 1.00 52.22 N ATOM 45 CD2 HIS A 3 2.437 31.281 -7.606 1.00 63.02 C ATOM 46 CE1 HIS A 3 3.238 29.272 -7.931 1.00 75.31 C ATOM 47 NE2 HIS A 3 3.373 30.538 -8.270 1.00 3.13 N ATOM 0 H HIS A 3 0.900 33.024 -6.721 1.00 40.11 H new ATOM 0 HA HIS A 3 -0.188 31.923 -4.287 1.00 44.24 H new ATOM 0 HB2 HIS A 3 0.456 29.786 -5.236 1.00 1.40 H new ATOM 0 HB3 HIS A 3 -0.358 30.752 -6.451 1.00 1.40 H new ATOM 0 HD2 HIS A 3 2.298 32.349 -7.680 1.00 63.02 H new ATOM 0 HE1 HIS A 3 3.841 28.454 -8.296 1.00 75.31 H new ATOM 0 HE2 HIS A 3 4.065 30.905 -8.923 1.00 3.13 H new ATOM 56 N HIS A 4 1.767 32.293 -2.782 1.00 54.34 N ATOM 57 CA HIS A 4 2.843 32.261 -1.765 1.00 14.24 C ATOM 58 C HIS A 4 3.053 30.831 -1.222 1.00 64.20 C ATOM 59 O HIS A 4 3.981 30.587 -0.457 1.00 60.54 O ATOM 60 CB HIS A 4 2.527 33.252 -0.621 1.00 23.01 C ATOM 61 CG HIS A 4 2.370 34.680 -1.089 1.00 64.13 C ATOM 62 ND1 HIS A 4 1.177 35.372 -1.030 1.00 73.35 N ATOM 63 CD2 HIS A 4 3.264 35.539 -1.645 1.00 63.25 C ATOM 64 CE1 HIS A 4 1.345 36.581 -1.528 1.00 30.31 C ATOM 65 NE2 HIS A 4 2.598 36.706 -1.906 1.00 53.42 N ATOM 0 H HIS A 4 0.884 32.666 -2.432 1.00 54.34 H new ATOM 0 HA HIS A 4 3.774 32.570 -2.239 1.00 14.24 H new ATOM 0 HB2 HIS A 4 1.610 32.938 -0.122 1.00 23.01 H new ATOM 0 HB3 HIS A 4 3.325 33.206 0.120 1.00 23.01 H new ATOM 0 HD2 HIS A 4 4.306 35.338 -1.844 1.00 63.25 H new ATOM 0 HE1 HIS A 4 0.582 37.341 -1.611 1.00 30.31 H new ATOM 0 HE2 HIS A 4 3.008 37.540 -2.327 1.00 53.42 H new ATOM 74 N HIS A 5 2.182 29.891 -1.636 1.00 33.11 N ATOM 75 CA HIS A 5 2.347 28.450 -1.357 1.00 50.13 C ATOM 76 C HIS A 5 3.341 27.852 -2.388 1.00 52.33 C ATOM 77 O HIS A 5 2.981 26.969 -3.173 1.00 65.41 O ATOM 78 CB HIS A 5 0.967 27.716 -1.419 1.00 5.44 C ATOM 79 CG HIS A 5 -0.039 28.135 -0.371 1.00 52.13 C ATOM 80 ND1 HIS A 5 -0.395 27.331 0.696 1.00 42.05 N ATOM 81 CD2 HIS A 5 -0.798 29.253 -0.253 1.00 22.23 C ATOM 82 CE1 HIS A 5 -1.321 27.938 1.412 1.00 61.50 C ATOM 83 NE2 HIS A 5 -1.582 29.099 0.860 1.00 41.02 N ATOM 0 H HIS A 5 1.343 30.109 -2.174 1.00 33.11 H new ATOM 0 HA HIS A 5 2.745 28.314 -0.351 1.00 50.13 H new ATOM 0 HB2 HIS A 5 0.530 27.882 -2.404 1.00 5.44 H new ATOM 0 HB3 HIS A 5 1.140 26.644 -1.324 1.00 5.44 H new ATOM 0 HD2 HIS A 5 -0.786 30.107 -0.914 1.00 22.23 H new ATOM 0 HE1 HIS A 5 -1.787 27.545 2.304 1.00 61.50 H new ATOM 0 HE2 HIS A 5 -2.260 29.779 1.204 1.00 41.02 H new ATOM 92 N HIS A 6 4.591 28.369 -2.393 1.00 22.13 N ATOM 93 CA HIS A 6 5.649 27.926 -3.331 1.00 1.44 C ATOM 94 C HIS A 6 6.222 26.565 -2.875 1.00 43.31 C ATOM 95 O HIS A 6 7.279 26.487 -2.227 1.00 35.13 O ATOM 96 CB HIS A 6 6.754 29.015 -3.440 1.00 52.42 C ATOM 97 CG HIS A 6 7.945 28.646 -4.290 1.00 41.25 C ATOM 98 ND1 HIS A 6 9.111 28.140 -3.754 1.00 51.34 N ATOM 99 CD2 HIS A 6 8.150 28.715 -5.625 1.00 43.14 C ATOM 100 CE1 HIS A 6 9.975 27.907 -4.716 1.00 44.41 C ATOM 101 NE2 HIS A 6 9.419 28.246 -5.861 1.00 64.42 N ATOM 0 H HIS A 6 4.894 29.101 -1.751 1.00 22.13 H new ATOM 0 HA HIS A 6 5.224 27.789 -4.325 1.00 1.44 H new ATOM 0 HB2 HIS A 6 6.307 29.923 -3.845 1.00 52.42 H new ATOM 0 HB3 HIS A 6 7.105 29.254 -2.436 1.00 52.42 H new ATOM 0 HD2 HIS A 6 7.449 29.071 -6.365 1.00 43.14 H new ATOM 0 HE1 HIS A 6 10.970 27.506 -4.590 1.00 44.41 H new ATOM 0 HE2 HIS A 6 9.861 28.172 -6.777 1.00 64.42 H new ATOM 110 N HIS A 7 5.452 25.508 -3.157 1.00 73.23 N ATOM 111 CA HIS A 7 5.804 24.107 -2.866 1.00 33.11 C ATOM 112 C HIS A 7 5.190 23.217 -3.947 1.00 22.42 C ATOM 113 O HIS A 7 4.226 23.615 -4.620 1.00 0.41 O ATOM 114 CB HIS A 7 5.303 23.655 -1.460 1.00 72.01 C ATOM 115 CG HIS A 7 5.962 24.358 -0.300 1.00 21.04 C ATOM 116 ND1 HIS A 7 7.201 23.996 0.197 1.00 53.51 N ATOM 117 CD2 HIS A 7 5.582 25.441 0.419 1.00 71.41 C ATOM 118 CE1 HIS A 7 7.547 24.825 1.161 1.00 41.32 C ATOM 119 NE2 HIS A 7 6.584 25.709 1.314 1.00 2.33 N ATOM 0 H HIS A 7 4.541 25.602 -3.606 1.00 73.23 H new ATOM 0 HA HIS A 7 6.890 24.018 -2.863 1.00 33.11 H new ATOM 0 HB2 HIS A 7 4.227 23.819 -1.403 1.00 72.01 H new ATOM 0 HB3 HIS A 7 5.468 22.582 -1.358 1.00 72.01 H new ATOM 0 HD2 HIS A 7 4.660 25.992 0.307 1.00 71.41 H new ATOM 0 HE1 HIS A 7 8.465 24.786 1.729 1.00 41.32 H new ATOM 0 HE2 HIS A 7 6.584 26.472 1.991 1.00 2.33 H new ATOM 128 N ARG A 8 5.768 22.025 -4.121 1.00 23.31 N ATOM 129 CA ARG A 8 5.317 21.043 -5.118 1.00 21.31 C ATOM 130 C ARG A 8 4.625 19.860 -4.438 1.00 70.11 C ATOM 131 O ARG A 8 5.185 19.237 -3.530 1.00 64.45 O ATOM 132 CB ARG A 8 6.507 20.561 -5.991 1.00 51.33 C ATOM 133 CG ARG A 8 7.116 21.632 -6.935 1.00 34.22 C ATOM 134 CD ARG A 8 6.130 22.165 -7.997 1.00 70.35 C ATOM 135 NE ARG A 8 5.103 23.052 -7.433 1.00 24.04 N ATOM 136 CZ ARG A 8 4.011 23.494 -8.069 1.00 52.02 C ATOM 137 NH1 ARG A 8 3.755 23.151 -9.334 1.00 64.23 N ATOM 138 NH2 ARG A 8 3.151 24.265 -7.422 1.00 24.13 N ATOM 0 H ARG A 8 6.568 21.710 -3.572 1.00 23.31 H new ATOM 0 HA ARG A 8 4.592 21.528 -5.772 1.00 21.31 H new ATOM 0 HB2 ARG A 8 7.293 20.192 -5.332 1.00 51.33 H new ATOM 0 HB3 ARG A 8 6.175 19.716 -6.594 1.00 51.33 H new ATOM 0 HG2 ARG A 8 7.475 22.468 -6.335 1.00 34.22 H new ATOM 0 HG3 ARG A 8 7.983 21.206 -7.440 1.00 34.22 H new ATOM 0 HD2 ARG A 8 6.687 22.704 -8.764 1.00 70.35 H new ATOM 0 HD3 ARG A 8 5.644 21.322 -8.489 1.00 70.35 H new ATOM 0 HE ARG A 8 5.234 23.359 -6.469 1.00 24.04 H new ATOM 0 HH11 ARG A 8 4.398 22.539 -9.837 1.00 64.23 H new ATOM 0 HH12 ARG A 8 2.916 23.501 -9.797 1.00 64.23 H new ATOM 0 HH21 ARG A 8 3.324 24.517 -6.449 1.00 24.13 H new ATOM 0 HH22 ARG A 8 2.316 24.607 -7.897 1.00 24.13 H new ATOM 152 N SER A 9 3.387 19.581 -4.871 1.00 73.43 N ATOM 153 CA SER A 9 2.611 18.424 -4.421 1.00 31.23 C ATOM 154 C SER A 9 3.051 17.168 -5.210 1.00 30.22 C ATOM 155 O SER A 9 2.693 16.998 -6.388 1.00 13.15 O ATOM 156 CB SER A 9 1.097 18.720 -4.590 1.00 51.14 C ATOM 157 OG SER A 9 0.794 19.181 -5.903 1.00 13.22 O ATOM 0 H SER A 9 2.894 20.160 -5.551 1.00 73.43 H new ATOM 0 HA SER A 9 2.795 18.231 -3.364 1.00 31.23 H new ATOM 0 HB2 SER A 9 0.524 17.817 -4.380 1.00 51.14 H new ATOM 0 HB3 SER A 9 0.789 19.470 -3.861 1.00 51.14 H new ATOM 0 HG SER A 9 1.294 18.652 -6.559 1.00 13.22 H new ATOM 163 N GLY A 10 3.890 16.335 -4.564 1.00 13.44 N ATOM 164 CA GLY A 10 4.357 15.075 -5.144 1.00 44.02 C ATOM 165 C GLY A 10 3.249 14.025 -5.173 1.00 64.24 C ATOM 166 O GLY A 10 2.480 13.909 -4.204 1.00 62.33 O ATOM 0 H GLY A 10 4.257 16.521 -3.631 1.00 13.44 H new ATOM 0 HA2 GLY A 10 4.718 15.252 -6.157 1.00 44.02 H new ATOM 0 HA3 GLY A 10 5.201 14.698 -4.566 1.00 44.02 H new ATOM 170 N ASP A 11 3.169 13.268 -6.281 1.00 74.41 N ATOM 171 CA ASP A 11 2.119 12.250 -6.489 1.00 23.13 C ATOM 172 C ASP A 11 2.409 10.982 -5.684 1.00 21.10 C ATOM 173 O ASP A 11 3.569 10.685 -5.351 1.00 54.34 O ATOM 174 CB ASP A 11 1.962 11.909 -7.997 1.00 70.42 C ATOM 175 CG ASP A 11 1.425 13.093 -8.816 1.00 51.21 C ATOM 176 OD1 ASP A 11 0.234 13.420 -8.668 1.00 33.32 O ATOM 177 OD2 ASP A 11 2.189 13.716 -9.591 1.00 55.32 O ATOM 0 H ASP A 11 3.827 13.342 -7.057 1.00 74.41 H new ATOM 0 HA ASP A 11 1.179 12.672 -6.132 1.00 23.13 H new ATOM 0 HB2 ASP A 11 2.927 11.602 -8.399 1.00 70.42 H new ATOM 0 HB3 ASP A 11 1.287 11.060 -8.106 1.00 70.42 H new ATOM 182 N ILE A 12 1.332 10.247 -5.381 1.00 52.12 N ATOM 183 CA ILE A 12 1.400 9.012 -4.606 1.00 32.31 C ATOM 184 C ILE A 12 1.839 7.856 -5.534 1.00 62.51 C ATOM 185 O ILE A 12 1.057 7.372 -6.364 1.00 12.11 O ATOM 186 CB ILE A 12 0.009 8.695 -3.947 1.00 14.42 C ATOM 187 CG1 ILE A 12 -0.472 9.871 -3.038 1.00 43.31 C ATOM 188 CG2 ILE A 12 0.053 7.374 -3.155 1.00 62.42 C ATOM 189 CD1 ILE A 12 -1.892 9.725 -2.495 1.00 54.01 C ATOM 0 H ILE A 12 0.386 10.498 -5.670 1.00 52.12 H new ATOM 0 HA ILE A 12 2.129 9.128 -3.804 1.00 32.31 H new ATOM 0 HB ILE A 12 -0.714 8.579 -4.754 1.00 14.42 H new ATOM 0 HG12 ILE A 12 0.215 9.965 -2.197 1.00 43.31 H new ATOM 0 HG13 ILE A 12 -0.410 10.799 -3.606 1.00 43.31 H new ATOM 0 HG21 ILE A 12 -0.924 7.183 -2.711 1.00 62.42 H new ATOM 0 HG22 ILE A 12 0.313 6.556 -3.826 1.00 62.42 H new ATOM 0 HG23 ILE A 12 0.801 7.448 -2.366 1.00 62.42 H new ATOM 0 HD11 ILE A 12 -2.135 10.589 -1.876 1.00 54.01 H new ATOM 0 HD12 ILE A 12 -2.595 9.664 -3.326 1.00 54.01 H new ATOM 0 HD13 ILE A 12 -1.961 8.818 -1.895 1.00 54.01 H new ATOM 201 N GLN A 13 3.111 7.462 -5.409 1.00 61.11 N ATOM 202 CA GLN A 13 3.694 6.332 -6.133 1.00 15.04 C ATOM 203 C GLN A 13 3.507 5.051 -5.305 1.00 22.33 C ATOM 204 O GLN A 13 3.977 4.952 -4.167 1.00 3.21 O ATOM 205 CB GLN A 13 5.191 6.623 -6.422 1.00 74.10 C ATOM 206 CG GLN A 13 5.988 5.508 -7.133 1.00 34.53 C ATOM 207 CD GLN A 13 5.359 5.039 -8.445 1.00 12.42 C ATOM 208 OE1 GLN A 13 5.576 5.628 -9.504 1.00 53.11 O ATOM 209 NE2 GLN A 13 4.612 3.948 -8.391 1.00 24.32 N ATOM 0 H GLN A 13 3.774 7.929 -4.790 1.00 61.11 H new ATOM 0 HA GLN A 13 3.192 6.190 -7.090 1.00 15.04 H new ATOM 0 HB2 GLN A 13 5.251 7.525 -7.030 1.00 74.10 H new ATOM 0 HB3 GLN A 13 5.684 6.843 -5.475 1.00 74.10 H new ATOM 0 HG2 GLN A 13 6.997 5.867 -7.333 1.00 34.53 H new ATOM 0 HG3 GLN A 13 6.081 4.655 -6.460 1.00 34.53 H new ATOM 0 HE21 GLN A 13 4.452 3.484 -7.497 1.00 24.32 H new ATOM 0 HE22 GLN A 13 4.197 3.572 -9.243 1.00 24.32 H new ATOM 218 N VAL A 14 2.818 4.083 -5.903 1.00 43.12 N ATOM 219 CA VAL A 14 2.417 2.830 -5.266 1.00 13.25 C ATOM 220 C VAL A 14 3.335 1.749 -5.817 1.00 11.24 C ATOM 221 O VAL A 14 3.321 1.511 -7.021 1.00 41.41 O ATOM 222 CB VAL A 14 0.914 2.479 -5.612 1.00 61.34 C ATOM 223 CG1 VAL A 14 0.384 1.307 -4.757 1.00 71.12 C ATOM 224 CG2 VAL A 14 0.007 3.724 -5.497 1.00 35.52 C ATOM 0 H VAL A 14 2.513 4.150 -6.874 1.00 43.12 H new ATOM 0 HA VAL A 14 2.494 2.910 -4.182 1.00 13.25 H new ATOM 0 HB VAL A 14 0.890 2.149 -6.651 1.00 61.34 H new ATOM 0 HG11 VAL A 14 -0.651 1.099 -5.027 1.00 71.12 H new ATOM 0 HG12 VAL A 14 0.991 0.420 -4.939 1.00 71.12 H new ATOM 0 HG13 VAL A 14 0.437 1.573 -3.701 1.00 71.12 H new ATOM 0 HG21 VAL A 14 -1.019 3.450 -5.741 1.00 35.52 H new ATOM 0 HG22 VAL A 14 0.047 4.111 -4.479 1.00 35.52 H new ATOM 0 HG23 VAL A 14 0.352 4.491 -6.190 1.00 35.52 H new ATOM 234 N GLN A 15 4.182 1.158 -4.983 1.00 60.24 N ATOM 235 CA GLN A 15 5.124 0.119 -5.424 1.00 74.42 C ATOM 236 C GLN A 15 4.906 -1.147 -4.608 1.00 0.24 C ATOM 237 O GLN A 15 5.299 -1.204 -3.450 1.00 63.52 O ATOM 238 CB GLN A 15 6.587 0.642 -5.287 1.00 63.20 C ATOM 239 CG GLN A 15 6.922 1.827 -6.220 1.00 53.34 C ATOM 240 CD GLN A 15 8.310 2.430 -5.988 1.00 72.31 C ATOM 241 OE1 GLN A 15 8.466 3.373 -5.217 1.00 23.12 O ATOM 242 NE2 GLN A 15 9.324 1.886 -6.641 1.00 45.15 N ATOM 0 H GLN A 15 4.241 1.378 -3.989 1.00 60.24 H new ATOM 0 HA GLN A 15 4.949 -0.120 -6.473 1.00 74.42 H new ATOM 0 HB2 GLN A 15 6.758 0.947 -4.254 1.00 63.20 H new ATOM 0 HB3 GLN A 15 7.275 -0.177 -5.496 1.00 63.20 H new ATOM 0 HG2 GLN A 15 6.851 1.492 -7.255 1.00 53.34 H new ATOM 0 HG3 GLN A 15 6.172 2.606 -6.085 1.00 53.34 H new ATOM 0 HE21 GLN A 15 9.162 1.103 -7.275 1.00 45.15 H new ATOM 0 HE22 GLN A 15 10.268 2.249 -6.511 1.00 45.15 H new ATOM 251 N ASN A 16 4.278 -2.160 -5.219 1.00 40.30 N ATOM 252 CA ASN A 16 4.091 -3.478 -4.598 1.00 62.25 C ATOM 253 C ASN A 16 5.082 -4.448 -5.223 1.00 14.12 C ATOM 254 O ASN A 16 5.170 -4.543 -6.445 1.00 75.54 O ATOM 255 CB ASN A 16 2.644 -3.999 -4.784 1.00 62.31 C ATOM 256 CG ASN A 16 2.439 -5.417 -4.222 1.00 30.22 C ATOM 257 OD1 ASN A 16 2.564 -6.412 -4.933 1.00 63.10 O ATOM 258 ND2 ASN A 16 2.163 -5.520 -2.939 1.00 53.13 N ATOM 0 H ASN A 16 3.885 -2.089 -6.158 1.00 40.30 H new ATOM 0 HA ASN A 16 4.266 -3.392 -3.526 1.00 62.25 H new ATOM 0 HB2 ASN A 16 1.952 -3.316 -4.292 1.00 62.31 H new ATOM 0 HB3 ASN A 16 2.396 -3.995 -5.845 1.00 62.31 H new ATOM 0 HD21 ASN A 16 2.048 -6.440 -2.514 1.00 53.13 H new ATOM 0 HD22 ASN A 16 2.064 -4.680 -2.370 1.00 53.13 H new ATOM 265 N ASN A 17 5.802 -5.174 -4.375 1.00 15.31 N ATOM 266 CA ASN A 17 6.803 -6.150 -4.790 1.00 70.04 C ATOM 267 C ASN A 17 6.181 -7.538 -4.676 1.00 74.33 C ATOM 268 O ASN A 17 5.913 -8.020 -3.577 1.00 11.33 O ATOM 269 CB ASN A 17 8.068 -6.028 -3.896 1.00 13.01 C ATOM 270 CG ASN A 17 9.132 -7.116 -4.109 1.00 5.13 C ATOM 271 OD1 ASN A 17 9.775 -7.559 -3.154 1.00 43.52 O ATOM 272 ND2 ASN A 17 9.356 -7.533 -5.350 1.00 43.52 N ATOM 0 H ASN A 17 5.705 -5.100 -3.362 1.00 15.31 H new ATOM 0 HA ASN A 17 7.112 -5.971 -5.820 1.00 70.04 H new ATOM 0 HB2 ASN A 17 8.526 -5.055 -4.075 1.00 13.01 H new ATOM 0 HB3 ASN A 17 7.757 -6.047 -2.851 1.00 13.01 H new ATOM 0 HD21 ASN A 17 10.073 -8.235 -5.530 1.00 43.52 H new ATOM 0 HD22 ASN A 17 8.811 -7.151 -6.123 1.00 43.52 H new ATOM 279 N ASN A 18 5.932 -8.152 -5.829 1.00 50.44 N ATOM 280 CA ASN A 18 5.374 -9.495 -5.932 1.00 40.03 C ATOM 281 C ASN A 18 6.116 -10.191 -7.071 1.00 34.31 C ATOM 282 O ASN A 18 5.989 -9.795 -8.238 1.00 15.13 O ATOM 283 CB ASN A 18 3.853 -9.418 -6.214 1.00 40.14 C ATOM 284 CG ASN A 18 3.179 -10.786 -6.378 1.00 1.22 C ATOM 285 OD1 ASN A 18 2.654 -11.355 -5.424 1.00 62.44 O ATOM 286 ND2 ASN A 18 3.193 -11.324 -7.593 1.00 10.44 N ATOM 0 H ASN A 18 6.116 -7.721 -6.735 1.00 50.44 H new ATOM 0 HA ASN A 18 5.497 -10.053 -5.004 1.00 40.03 H new ATOM 0 HB2 ASN A 18 3.369 -8.882 -5.398 1.00 40.14 H new ATOM 0 HB3 ASN A 18 3.691 -8.834 -7.120 1.00 40.14 H new ATOM 0 HD21 ASN A 18 2.760 -12.234 -7.753 1.00 10.44 H new ATOM 0 HD22 ASN A 18 3.637 -10.827 -8.366 1.00 10.44 H new ATOM 293 N THR A 19 6.891 -11.223 -6.728 1.00 21.11 N ATOM 294 CA THR A 19 7.754 -11.922 -7.680 1.00 45.12 C ATOM 295 C THR A 19 7.810 -13.424 -7.331 1.00 54.10 C ATOM 296 O THR A 19 8.092 -13.808 -6.190 1.00 63.12 O ATOM 297 CB THR A 19 9.185 -11.268 -7.724 1.00 24.13 C ATOM 298 OG1 THR A 19 10.023 -11.939 -8.682 1.00 24.42 O ATOM 299 CG2 THR A 19 9.874 -11.245 -6.340 1.00 62.32 C ATOM 0 H THR A 19 6.937 -11.597 -5.780 1.00 21.11 H new ATOM 0 HA THR A 19 7.335 -11.828 -8.682 1.00 45.12 H new ATOM 0 HB THR A 19 9.043 -10.232 -8.031 1.00 24.13 H new ATOM 0 HG1 THR A 19 10.907 -11.517 -8.696 1.00 24.42 H new ATOM 0 HG21 THR A 19 10.857 -10.783 -6.431 1.00 62.32 H new ATOM 0 HG22 THR A 19 9.266 -10.671 -5.641 1.00 62.32 H new ATOM 0 HG23 THR A 19 9.985 -12.265 -5.972 1.00 62.32 H new ATOM 307 N CYS A 20 7.475 -14.255 -8.326 1.00 10.41 N ATOM 308 CA CYS A 20 7.504 -15.728 -8.242 1.00 5.30 C ATOM 309 C CYS A 20 7.845 -16.296 -9.633 1.00 5.24 C ATOM 310 O CYS A 20 7.909 -15.531 -10.609 1.00 12.24 O ATOM 311 CB CYS A 20 6.140 -16.265 -7.742 1.00 20.51 C ATOM 312 SG CYS A 20 5.753 -15.830 -5.998 1.00 22.45 S ATOM 0 H CYS A 20 7.168 -13.916 -9.238 1.00 10.41 H new ATOM 0 HA CYS A 20 8.265 -16.045 -7.528 1.00 5.30 H new ATOM 0 HB2 CYS A 20 5.351 -15.876 -8.386 1.00 20.51 H new ATOM 0 HB3 CYS A 20 6.129 -17.350 -7.845 1.00 20.51 H new ATOM 317 N ASN A 21 8.066 -17.625 -9.731 1.00 65.33 N ATOM 318 CA ASN A 21 8.320 -18.291 -11.028 1.00 44.11 C ATOM 319 C ASN A 21 7.031 -18.280 -11.881 1.00 15.15 C ATOM 320 O ASN A 21 6.195 -19.189 -11.791 1.00 54.30 O ATOM 321 CB ASN A 21 8.845 -19.736 -10.823 1.00 52.32 C ATOM 322 CG ASN A 21 10.193 -19.792 -10.092 1.00 31.42 C ATOM 323 OD1 ASN A 21 10.243 -19.885 -8.864 1.00 61.02 O ATOM 324 ND2 ASN A 21 11.293 -19.707 -10.835 1.00 63.43 N ATOM 0 H ASN A 21 8.074 -18.257 -8.930 1.00 65.33 H new ATOM 0 HA ASN A 21 9.096 -17.739 -11.559 1.00 44.11 H new ATOM 0 HB2 ASN A 21 8.108 -20.306 -10.257 1.00 52.32 H new ATOM 0 HB3 ASN A 21 8.945 -20.220 -11.794 1.00 52.32 H new ATOM 0 HD21 ASN A 21 12.211 -19.718 -10.390 1.00 63.43 H new ATOM 0 HD22 ASN A 21 11.219 -19.631 -11.849 1.00 63.43 H new ATOM 331 N GLY A 22 6.868 -17.200 -12.656 1.00 51.12 N ATOM 332 CA GLY A 22 5.674 -16.976 -13.465 1.00 15.53 C ATOM 333 C GLY A 22 5.613 -15.540 -13.956 1.00 14.30 C ATOM 334 O GLY A 22 6.242 -14.656 -13.355 1.00 1.22 O ATOM 0 H GLY A 22 7.564 -16.459 -12.736 1.00 51.12 H new ATOM 0 HA2 GLY A 22 5.674 -17.656 -14.317 1.00 15.53 H new ATOM 0 HA3 GLY A 22 4.784 -17.202 -12.877 1.00 15.53 H new ATOM 338 N LYS A 23 4.868 -15.301 -15.049 1.00 51.35 N ATOM 339 CA LYS A 23 4.750 -13.964 -15.655 1.00 34.05 C ATOM 340 C LYS A 23 3.770 -13.106 -14.831 1.00 64.43 C ATOM 341 O LYS A 23 2.585 -12.987 -15.161 1.00 4.34 O ATOM 342 CB LYS A 23 4.325 -14.064 -17.154 1.00 72.33 C ATOM 343 CG LYS A 23 5.270 -14.931 -18.023 1.00 44.24 C ATOM 344 CD LYS A 23 4.967 -14.878 -19.549 1.00 34.04 C ATOM 345 CE LYS A 23 5.546 -13.634 -20.266 1.00 30.03 C ATOM 346 NZ LYS A 23 4.960 -12.346 -19.798 1.00 50.21 N ATOM 0 H LYS A 23 4.335 -16.023 -15.534 1.00 51.35 H new ATOM 0 HA LYS A 23 5.724 -13.475 -15.639 1.00 34.05 H new ATOM 0 HB2 LYS A 23 3.318 -14.477 -17.208 1.00 72.33 H new ATOM 0 HB3 LYS A 23 4.280 -13.060 -17.576 1.00 72.33 H new ATOM 0 HG2 LYS A 23 6.297 -14.606 -17.857 1.00 44.24 H new ATOM 0 HG3 LYS A 23 5.205 -15.966 -17.687 1.00 44.24 H new ATOM 0 HD2 LYS A 23 5.369 -15.775 -20.020 1.00 34.04 H new ATOM 0 HD3 LYS A 23 3.887 -14.898 -19.695 1.00 34.04 H new ATOM 0 HE2 LYS A 23 6.625 -13.608 -20.115 1.00 30.03 H new ATOM 0 HE3 LYS A 23 5.376 -13.732 -21.338 1.00 30.03 H new ATOM 0 HZ1 LYS A 23 5.044 -11.633 -20.550 1.00 50.21 H new ATOM 0 HZ2 LYS A 23 3.956 -12.486 -19.564 1.00 50.21 H new ATOM 0 HZ3 LYS A 23 5.470 -12.020 -18.952 1.00 50.21 H new ATOM 360 N THR A 24 4.286 -12.563 -13.719 1.00 13.14 N ATOM 361 CA THR A 24 3.520 -11.754 -12.772 1.00 40.33 C ATOM 362 C THR A 24 4.410 -10.590 -12.288 1.00 11.44 C ATOM 363 O THR A 24 5.187 -10.722 -11.336 1.00 60.40 O ATOM 364 CB THR A 24 2.941 -12.632 -11.587 1.00 42.45 C ATOM 365 OG1 THR A 24 2.244 -11.814 -10.632 1.00 42.31 O ATOM 366 CG2 THR A 24 4.008 -13.476 -10.859 1.00 23.44 C ATOM 0 H THR A 24 5.264 -12.678 -13.452 1.00 13.14 H new ATOM 0 HA THR A 24 2.644 -11.333 -13.265 1.00 40.33 H new ATOM 0 HB THR A 24 2.248 -13.330 -12.057 1.00 42.45 H new ATOM 0 HG1 THR A 24 2.175 -12.293 -9.780 1.00 42.31 H new ATOM 0 HG21 THR A 24 3.536 -14.050 -10.061 1.00 23.44 H new ATOM 0 HG22 THR A 24 4.478 -14.158 -11.567 1.00 23.44 H new ATOM 0 HG23 THR A 24 4.765 -12.817 -10.433 1.00 23.44 H new ATOM 374 N PHE A 25 4.321 -9.460 -13.017 1.00 52.44 N ATOM 375 CA PHE A 25 5.099 -8.244 -12.721 1.00 15.53 C ATOM 376 C PHE A 25 4.641 -7.602 -11.399 1.00 42.12 C ATOM 377 O PHE A 25 3.560 -7.904 -10.886 1.00 61.22 O ATOM 378 CB PHE A 25 4.987 -7.217 -13.880 1.00 55.31 C ATOM 379 CG PHE A 25 5.586 -7.690 -15.206 1.00 71.33 C ATOM 380 CD1 PHE A 25 6.965 -7.877 -15.339 1.00 41.14 C ATOM 381 CD2 PHE A 25 4.779 -7.930 -16.321 1.00 5.51 C ATOM 382 CE1 PHE A 25 7.512 -8.289 -16.539 1.00 43.43 C ATOM 383 CE2 PHE A 25 5.331 -8.344 -17.521 1.00 23.51 C ATOM 384 CZ PHE A 25 6.695 -8.523 -17.630 1.00 53.24 C ATOM 0 H PHE A 25 3.708 -9.366 -13.827 1.00 52.44 H new ATOM 0 HA PHE A 25 6.143 -8.539 -12.618 1.00 15.53 H new ATOM 0 HB2 PHE A 25 3.935 -6.977 -14.036 1.00 55.31 H new ATOM 0 HB3 PHE A 25 5.483 -6.294 -13.580 1.00 55.31 H new ATOM 0 HD1 PHE A 25 7.611 -7.697 -14.493 1.00 41.14 H new ATOM 0 HD2 PHE A 25 3.711 -7.791 -16.246 1.00 5.51 H new ATOM 0 HE1 PHE A 25 8.579 -8.429 -16.625 1.00 43.43 H new ATOM 0 HE2 PHE A 25 4.693 -8.527 -18.373 1.00 23.51 H new ATOM 0 HZ PHE A 25 7.124 -8.846 -18.567 1.00 53.24 H new ATOM 394 N ASP A 26 5.488 -6.715 -10.874 1.00 73.03 N ATOM 395 CA ASP A 26 5.246 -5.993 -9.617 1.00 65.44 C ATOM 396 C ASP A 26 4.181 -4.900 -9.848 1.00 0.41 C ATOM 397 O ASP A 26 4.239 -4.181 -10.856 1.00 21.01 O ATOM 398 CB ASP A 26 6.588 -5.398 -9.118 1.00 61.33 C ATOM 399 CG ASP A 26 7.683 -6.478 -8.989 1.00 21.44 C ATOM 400 OD1 ASP A 26 8.356 -6.777 -10.000 1.00 41.02 O ATOM 401 OD2 ASP A 26 7.858 -7.050 -7.901 1.00 24.12 O ATOM 0 H ASP A 26 6.375 -6.472 -11.314 1.00 73.03 H new ATOM 0 HA ASP A 26 4.864 -6.667 -8.850 1.00 65.44 H new ATOM 0 HB2 ASP A 26 6.921 -4.624 -9.809 1.00 61.33 H new ATOM 0 HB3 ASP A 26 6.435 -4.918 -8.151 1.00 61.33 H new ATOM 406 N TYR A 27 3.201 -4.785 -8.927 1.00 52.43 N ATOM 407 CA TYR A 27 1.985 -3.970 -9.152 1.00 72.33 C ATOM 408 C TYR A 27 2.240 -2.512 -8.750 1.00 53.13 C ATOM 409 O TYR A 27 1.944 -2.086 -7.622 1.00 0.35 O ATOM 410 CB TYR A 27 0.770 -4.589 -8.400 1.00 23.34 C ATOM 411 CG TYR A 27 0.713 -6.118 -8.518 1.00 71.44 C ATOM 412 CD1 TYR A 27 0.654 -6.752 -9.764 1.00 4.12 C ATOM 413 CD2 TYR A 27 0.774 -6.929 -7.387 1.00 13.04 C ATOM 414 CE1 TYR A 27 0.665 -8.134 -9.864 1.00 43.53 C ATOM 415 CE2 TYR A 27 0.774 -8.301 -7.485 1.00 14.22 C ATOM 416 CZ TYR A 27 0.724 -8.901 -8.722 1.00 42.20 C ATOM 417 OH TYR A 27 0.749 -10.276 -8.814 1.00 2.24 O ATOM 0 H TYR A 27 3.227 -5.247 -8.018 1.00 52.43 H new ATOM 0 HA TYR A 27 1.740 -3.973 -10.214 1.00 72.33 H new ATOM 0 HB2 TYR A 27 0.821 -4.312 -7.347 1.00 23.34 H new ATOM 0 HB3 TYR A 27 -0.152 -4.164 -8.797 1.00 23.34 H new ATOM 0 HD1 TYR A 27 0.599 -6.155 -10.662 1.00 4.12 H new ATOM 0 HD2 TYR A 27 0.822 -6.470 -6.411 1.00 13.04 H new ATOM 0 HE1 TYR A 27 0.627 -8.608 -10.834 1.00 43.53 H new ATOM 0 HE2 TYR A 27 0.813 -8.907 -6.592 1.00 14.22 H new ATOM 0 HH TYR A 27 1.436 -10.548 -9.458 1.00 2.24 H new ATOM 427 N THR A 28 2.874 -1.776 -9.674 1.00 63.24 N ATOM 428 CA THR A 28 3.165 -0.356 -9.520 1.00 24.12 C ATOM 429 C THR A 28 2.074 0.510 -10.176 1.00 65.30 C ATOM 430 O THR A 28 1.634 0.232 -11.296 1.00 41.23 O ATOM 431 CB THR A 28 4.575 -0.008 -10.105 1.00 52.21 C ATOM 432 OG1 THR A 28 4.796 -0.689 -11.351 1.00 33.40 O ATOM 433 CG2 THR A 28 5.696 -0.356 -9.117 1.00 40.14 C ATOM 0 H THR A 28 3.201 -2.162 -10.560 1.00 63.24 H new ATOM 0 HA THR A 28 3.174 -0.133 -8.453 1.00 24.12 H new ATOM 0 HB THR A 28 4.594 1.068 -10.280 1.00 52.21 H new ATOM 0 HG1 THR A 28 5.682 -0.455 -11.699 1.00 33.40 H new ATOM 0 HG21 THR A 28 6.660 -0.101 -9.556 1.00 40.14 H new ATOM 0 HG22 THR A 28 5.557 0.209 -8.195 1.00 40.14 H new ATOM 0 HG23 THR A 28 5.668 -1.423 -8.897 1.00 40.14 H new ATOM 441 N TYR A 29 1.641 1.555 -9.451 1.00 42.31 N ATOM 442 CA TYR A 29 0.608 2.515 -9.894 1.00 22.11 C ATOM 443 C TYR A 29 1.076 3.940 -9.560 1.00 53.13 C ATOM 444 O TYR A 29 1.885 4.116 -8.658 1.00 25.11 O ATOM 445 CB TYR A 29 -0.742 2.237 -9.171 1.00 43.41 C ATOM 446 CG TYR A 29 -1.283 0.811 -9.344 1.00 65.14 C ATOM 447 CD1 TYR A 29 -1.992 0.447 -10.490 1.00 45.43 C ATOM 448 CD2 TYR A 29 -1.096 -0.168 -8.360 1.00 30.21 C ATOM 449 CE1 TYR A 29 -2.491 -0.830 -10.643 1.00 2.22 C ATOM 450 CE2 TYR A 29 -1.594 -1.450 -8.514 1.00 71.31 C ATOM 451 CZ TYR A 29 -2.290 -1.777 -9.659 1.00 40.11 C ATOM 452 OH TYR A 29 -2.799 -3.051 -9.818 1.00 63.20 O ATOM 0 H TYR A 29 2.005 1.763 -8.521 1.00 42.31 H new ATOM 0 HA TYR A 29 0.459 2.406 -10.968 1.00 22.11 H new ATOM 0 HB2 TYR A 29 -0.616 2.436 -8.107 1.00 43.41 H new ATOM 0 HB3 TYR A 29 -1.488 2.941 -9.541 1.00 43.41 H new ATOM 0 HD1 TYR A 29 -2.153 1.177 -11.270 1.00 45.43 H new ATOM 0 HD2 TYR A 29 -0.551 0.083 -7.462 1.00 30.21 H new ATOM 0 HE1 TYR A 29 -3.041 -1.090 -11.536 1.00 2.22 H new ATOM 0 HE2 TYR A 29 -1.439 -2.190 -7.743 1.00 71.31 H new ATOM 0 HH TYR A 29 -2.569 -3.595 -9.036 1.00 63.20 H new ATOM 462 N THR A 30 0.568 4.952 -10.270 1.00 72.23 N ATOM 463 CA THR A 30 0.810 6.364 -9.931 1.00 43.32 C ATOM 464 C THR A 30 -0.538 7.091 -9.882 1.00 63.24 C ATOM 465 O THR A 30 -1.197 7.267 -10.915 1.00 31.53 O ATOM 466 CB THR A 30 1.784 7.047 -10.951 1.00 2.31 C ATOM 467 OG1 THR A 30 3.008 6.288 -11.038 1.00 13.23 O ATOM 468 CG2 THR A 30 2.111 8.501 -10.558 1.00 34.34 C ATOM 0 H THR A 30 -0.020 4.820 -11.093 1.00 72.23 H new ATOM 0 HA THR A 30 1.295 6.420 -8.956 1.00 43.32 H new ATOM 0 HB THR A 30 1.282 7.068 -11.918 1.00 2.31 H new ATOM 0 HG1 THR A 30 3.558 6.462 -10.246 1.00 13.23 H new ATOM 0 HG21 THR A 30 2.789 8.933 -11.294 1.00 34.34 H new ATOM 0 HG22 THR A 30 1.191 9.085 -10.525 1.00 34.34 H new ATOM 0 HG23 THR A 30 2.585 8.515 -9.576 1.00 34.34 H new ATOM 476 N VAL A 31 -0.964 7.462 -8.670 1.00 50.33 N ATOM 477 CA VAL A 31 -2.256 8.127 -8.434 1.00 33.23 C ATOM 478 C VAL A 31 -2.019 9.568 -7.935 1.00 70.14 C ATOM 479 O VAL A 31 -1.019 9.840 -7.251 1.00 70.31 O ATOM 480 CB VAL A 31 -3.140 7.305 -7.413 1.00 24.10 C ATOM 481 CG1 VAL A 31 -3.308 5.836 -7.869 1.00 64.41 C ATOM 482 CG2 VAL A 31 -2.584 7.348 -5.980 1.00 13.24 C ATOM 0 H VAL A 31 -0.422 7.310 -7.819 1.00 50.33 H new ATOM 0 HA VAL A 31 -2.805 8.171 -9.375 1.00 33.23 H new ATOM 0 HB VAL A 31 -4.117 7.788 -7.403 1.00 24.10 H new ATOM 0 HG11 VAL A 31 -3.921 5.298 -7.145 1.00 64.41 H new ATOM 0 HG12 VAL A 31 -3.793 5.811 -8.845 1.00 64.41 H new ATOM 0 HG13 VAL A 31 -2.329 5.362 -7.938 1.00 64.41 H new ATOM 0 HG21 VAL A 31 -3.230 6.767 -5.322 1.00 13.24 H new ATOM 0 HG22 VAL A 31 -1.579 6.926 -5.967 1.00 13.24 H new ATOM 0 HG23 VAL A 31 -2.548 8.381 -5.634 1.00 13.24 H new ATOM 492 N THR A 32 -2.920 10.488 -8.303 1.00 12.21 N ATOM 493 CA THR A 32 -2.850 11.902 -7.878 1.00 33.24 C ATOM 494 C THR A 32 -3.846 12.176 -6.730 1.00 11.12 C ATOM 495 O THR A 32 -3.703 13.150 -5.985 1.00 54.52 O ATOM 496 CB THR A 32 -3.099 12.883 -9.084 1.00 14.43 C ATOM 497 OG1 THR A 32 -2.926 14.242 -8.660 1.00 4.02 O ATOM 498 CG2 THR A 32 -4.495 12.737 -9.712 1.00 62.43 C ATOM 0 H THR A 32 -3.718 10.279 -8.902 1.00 12.21 H new ATOM 0 HA THR A 32 -1.841 12.087 -7.510 1.00 33.24 H new ATOM 0 HB THR A 32 -2.366 12.615 -9.845 1.00 14.43 H new ATOM 0 HG1 THR A 32 -3.082 14.843 -9.418 1.00 4.02 H new ATOM 0 HG21 THR A 32 -4.599 13.442 -10.537 1.00 62.43 H new ATOM 0 HG22 THR A 32 -4.621 11.721 -10.086 1.00 62.43 H new ATOM 0 HG23 THR A 32 -5.256 12.944 -8.960 1.00 62.43 H new ATOM 506 N THR A 33 -4.844 11.290 -6.587 1.00 24.30 N ATOM 507 CA THR A 33 -5.913 11.416 -5.590 1.00 51.44 C ATOM 508 C THR A 33 -5.858 10.206 -4.630 1.00 43.34 C ATOM 509 O THR A 33 -5.564 9.078 -5.057 1.00 22.31 O ATOM 510 CB THR A 33 -7.308 11.497 -6.306 1.00 23.02 C ATOM 511 OG1 THR A 33 -7.217 12.392 -7.433 1.00 32.12 O ATOM 512 CG2 THR A 33 -8.421 11.985 -5.370 1.00 50.42 C ATOM 0 H THR A 33 -4.930 10.457 -7.169 1.00 24.30 H new ATOM 0 HA THR A 33 -5.774 12.331 -5.014 1.00 51.44 H new ATOM 0 HB THR A 33 -7.565 10.488 -6.630 1.00 23.02 H new ATOM 0 HG1 THR A 33 -8.087 12.442 -7.882 1.00 32.12 H new ATOM 0 HG21 THR A 33 -9.364 12.023 -5.915 1.00 50.42 H new ATOM 0 HG22 THR A 33 -8.515 11.299 -4.528 1.00 50.42 H new ATOM 0 HG23 THR A 33 -8.175 12.981 -5.001 1.00 50.42 H new ATOM 520 N GLU A 34 -6.147 10.454 -3.342 1.00 30.00 N ATOM 521 CA GLU A 34 -6.104 9.428 -2.281 1.00 31.40 C ATOM 522 C GLU A 34 -7.197 8.351 -2.465 1.00 40.23 C ATOM 523 O GLU A 34 -7.029 7.201 -2.042 1.00 51.55 O ATOM 524 CB GLU A 34 -6.239 10.118 -0.907 1.00 50.14 C ATOM 525 CG GLU A 34 -5.082 11.072 -0.548 1.00 12.20 C ATOM 526 CD GLU A 34 -5.286 11.770 0.808 1.00 41.51 C ATOM 527 OE1 GLU A 34 -5.519 11.070 1.818 1.00 64.12 O ATOM 528 OE2 GLU A 34 -5.231 13.016 0.875 1.00 24.11 O ATOM 0 H GLU A 34 -6.419 11.377 -3.003 1.00 30.00 H new ATOM 0 HA GLU A 34 -5.146 8.911 -2.342 1.00 31.40 H new ATOM 0 HB2 GLU A 34 -7.173 10.679 -0.888 1.00 50.14 H new ATOM 0 HB3 GLU A 34 -6.312 9.351 -0.136 1.00 50.14 H new ATOM 0 HG2 GLU A 34 -4.148 10.511 -0.526 1.00 12.20 H new ATOM 0 HG3 GLU A 34 -4.983 11.826 -1.329 1.00 12.20 H new ATOM 535 N SER A 35 -8.312 8.736 -3.104 1.00 25.40 N ATOM 536 CA SER A 35 -9.388 7.798 -3.458 1.00 62.43 C ATOM 537 C SER A 35 -8.898 6.762 -4.485 1.00 73.21 C ATOM 538 O SER A 35 -9.195 5.566 -4.359 1.00 21.31 O ATOM 539 CB SER A 35 -10.602 8.560 -4.009 1.00 54.54 C ATOM 540 OG SER A 35 -11.654 7.668 -4.347 1.00 75.14 O ATOM 0 H SER A 35 -8.493 9.699 -3.388 1.00 25.40 H new ATOM 0 HA SER A 35 -9.687 7.268 -2.554 1.00 62.43 H new ATOM 0 HB2 SER A 35 -10.953 9.277 -3.267 1.00 54.54 H new ATOM 0 HB3 SER A 35 -10.308 9.131 -4.890 1.00 54.54 H new ATOM 0 HG SER A 35 -12.416 8.177 -4.694 1.00 75.14 H new ATOM 546 N GLU A 36 -8.115 7.235 -5.479 1.00 23.15 N ATOM 547 CA GLU A 36 -7.537 6.375 -6.525 1.00 53.15 C ATOM 548 C GLU A 36 -6.568 5.351 -5.908 1.00 14.03 C ATOM 549 O GLU A 36 -6.457 4.235 -6.395 1.00 55.20 O ATOM 550 CB GLU A 36 -6.782 7.213 -7.580 1.00 10.41 C ATOM 551 CG GLU A 36 -7.605 8.291 -8.301 1.00 55.33 C ATOM 552 CD GLU A 36 -6.763 9.047 -9.339 1.00 40.21 C ATOM 553 OE1 GLU A 36 -5.893 9.844 -8.941 1.00 12.34 O ATOM 554 OE2 GLU A 36 -6.936 8.822 -10.552 1.00 64.34 O ATOM 0 H GLU A 36 -7.869 8.220 -5.575 1.00 23.15 H new ATOM 0 HA GLU A 36 -8.361 5.852 -7.011 1.00 53.15 H new ATOM 0 HB2 GLU A 36 -5.935 7.696 -7.093 1.00 10.41 H new ATOM 0 HB3 GLU A 36 -6.374 6.535 -8.329 1.00 10.41 H new ATOM 0 HG2 GLU A 36 -8.460 7.828 -8.793 1.00 55.33 H new ATOM 0 HG3 GLU A 36 -8.001 8.996 -7.570 1.00 55.33 H new ATOM 561 N LEU A 37 -5.881 5.763 -4.829 1.00 10.22 N ATOM 562 CA LEU A 37 -4.962 4.896 -4.068 1.00 33.30 C ATOM 563 C LEU A 37 -5.713 3.684 -3.480 1.00 32.33 C ATOM 564 O LEU A 37 -5.227 2.549 -3.529 1.00 41.23 O ATOM 565 CB LEU A 37 -4.274 5.725 -2.954 1.00 11.25 C ATOM 566 CG LEU A 37 -3.294 4.959 -2.013 1.00 54.52 C ATOM 567 CD1 LEU A 37 -2.165 4.276 -2.799 1.00 71.25 C ATOM 568 CD2 LEU A 37 -2.723 5.901 -0.945 1.00 24.23 C ATOM 0 H LEU A 37 -5.947 6.711 -4.458 1.00 10.22 H new ATOM 0 HA LEU A 37 -4.196 4.509 -4.740 1.00 33.30 H new ATOM 0 HB2 LEU A 37 -3.725 6.540 -3.426 1.00 11.25 H new ATOM 0 HB3 LEU A 37 -5.051 6.179 -2.339 1.00 11.25 H new ATOM 0 HG LEU A 37 -3.863 4.174 -1.515 1.00 54.52 H new ATOM 0 HD11 LEU A 37 -1.504 3.754 -2.107 1.00 71.25 H new ATOM 0 HD12 LEU A 37 -2.592 3.561 -3.502 1.00 71.25 H new ATOM 0 HD13 LEU A 37 -1.596 5.028 -3.346 1.00 71.25 H new ATOM 0 HD21 LEU A 37 -2.042 5.348 -0.299 1.00 24.23 H new ATOM 0 HD22 LEU A 37 -2.183 6.715 -1.429 1.00 24.23 H new ATOM 0 HD23 LEU A 37 -3.538 6.310 -0.348 1.00 24.23 H new ATOM 580 N GLN A 38 -6.920 3.944 -2.967 1.00 52.04 N ATOM 581 CA GLN A 38 -7.801 2.906 -2.405 1.00 11.33 C ATOM 582 C GLN A 38 -8.366 1.993 -3.517 1.00 43.54 C ATOM 583 O GLN A 38 -8.584 0.802 -3.292 1.00 1.32 O ATOM 584 CB GLN A 38 -8.945 3.573 -1.600 1.00 42.11 C ATOM 585 CG GLN A 38 -8.457 4.558 -0.510 1.00 41.21 C ATOM 586 CD GLN A 38 -9.597 5.287 0.212 1.00 64.45 C ATOM 587 OE1 GLN A 38 -10.688 4.740 0.393 1.00 12.13 O ATOM 588 NE2 GLN A 38 -9.370 6.533 0.600 1.00 73.20 N ATOM 0 H GLN A 38 -7.318 4.882 -2.928 1.00 52.04 H new ATOM 0 HA GLN A 38 -7.217 2.277 -1.733 1.00 11.33 H new ATOM 0 HB2 GLN A 38 -9.598 4.106 -2.291 1.00 42.11 H new ATOM 0 HB3 GLN A 38 -9.546 2.795 -1.129 1.00 42.11 H new ATOM 0 HG2 GLN A 38 -7.864 4.011 0.223 1.00 41.21 H new ATOM 0 HG3 GLN A 38 -7.797 5.295 -0.967 1.00 41.21 H new ATOM 0 HE21 GLN A 38 -8.458 6.960 0.437 1.00 73.20 H new ATOM 0 HE22 GLN A 38 -10.107 7.066 1.062 1.00 73.20 H new ATOM 597 N LYS A 39 -8.580 2.570 -4.719 1.00 60.34 N ATOM 598 CA LYS A 39 -9.059 1.826 -5.908 1.00 24.24 C ATOM 599 C LYS A 39 -7.963 0.886 -6.457 1.00 51.41 C ATOM 600 O LYS A 39 -8.247 -0.259 -6.836 1.00 31.11 O ATOM 601 CB LYS A 39 -9.531 2.810 -7.040 1.00 15.14 C ATOM 602 CG LYS A 39 -11.060 3.094 -7.152 1.00 71.23 C ATOM 603 CD LYS A 39 -11.605 4.187 -6.198 1.00 5.44 C ATOM 604 CE LYS A 39 -11.831 3.709 -4.760 1.00 44.23 C ATOM 605 NZ LYS A 39 -12.399 4.795 -3.911 1.00 64.52 N ATOM 0 H LYS A 39 -8.426 3.563 -4.894 1.00 60.34 H new ATOM 0 HA LYS A 39 -9.910 1.223 -5.591 1.00 24.24 H new ATOM 0 HB2 LYS A 39 -9.021 3.762 -6.893 1.00 15.14 H new ATOM 0 HB3 LYS A 39 -9.191 2.411 -7.996 1.00 15.14 H new ATOM 0 HG2 LYS A 39 -11.284 3.387 -8.178 1.00 71.23 H new ATOM 0 HG3 LYS A 39 -11.600 2.167 -6.960 1.00 71.23 H new ATOM 0 HD2 LYS A 39 -10.907 5.024 -6.185 1.00 5.44 H new ATOM 0 HD3 LYS A 39 -12.547 4.564 -6.596 1.00 5.44 H new ATOM 0 HE2 LYS A 39 -12.507 2.854 -4.761 1.00 44.23 H new ATOM 0 HE3 LYS A 39 -10.887 3.368 -4.335 1.00 44.23 H new ATOM 0 HZ1 LYS A 39 -12.142 4.629 -2.917 1.00 64.52 H new ATOM 0 HZ2 LYS A 39 -12.017 5.712 -4.219 1.00 64.52 H new ATOM 0 HZ3 LYS A 39 -13.435 4.803 -4.004 1.00 64.52 H new ATOM 619 N VAL A 40 -6.713 1.379 -6.526 1.00 61.33 N ATOM 620 CA VAL A 40 -5.597 0.593 -7.078 1.00 4.25 C ATOM 621 C VAL A 40 -5.152 -0.501 -6.095 1.00 72.30 C ATOM 622 O VAL A 40 -4.632 -1.517 -6.519 1.00 44.43 O ATOM 623 CB VAL A 40 -4.378 1.476 -7.525 1.00 33.35 C ATOM 624 CG1 VAL A 40 -4.795 2.496 -8.609 1.00 33.33 C ATOM 625 CG2 VAL A 40 -3.686 2.170 -6.337 1.00 0.25 C ATOM 0 H VAL A 40 -6.452 2.312 -6.208 1.00 61.33 H new ATOM 0 HA VAL A 40 -5.978 0.117 -7.982 1.00 4.25 H new ATOM 0 HB VAL A 40 -3.643 0.801 -7.962 1.00 33.35 H new ATOM 0 HG11 VAL A 40 -3.930 3.093 -8.899 1.00 33.33 H new ATOM 0 HG12 VAL A 40 -5.178 1.965 -9.481 1.00 33.33 H new ATOM 0 HG13 VAL A 40 -5.572 3.150 -8.213 1.00 33.33 H new ATOM 0 HG21 VAL A 40 -2.850 2.768 -6.701 1.00 0.25 H new ATOM 0 HG22 VAL A 40 -4.400 2.817 -5.827 1.00 0.25 H new ATOM 0 HG23 VAL A 40 -3.317 1.417 -5.640 1.00 0.25 H new ATOM 635 N LEU A 41 -5.376 -0.276 -4.787 1.00 65.41 N ATOM 636 CA LEU A 41 -5.166 -1.297 -3.735 1.00 4.41 C ATOM 637 C LEU A 41 -6.291 -2.357 -3.758 1.00 23.14 C ATOM 638 O LEU A 41 -6.048 -3.541 -3.480 1.00 52.15 O ATOM 639 CB LEU A 41 -5.056 -0.612 -2.329 1.00 41.14 C ATOM 640 CG LEU A 41 -3.607 -0.437 -1.762 1.00 24.41 C ATOM 641 CD1 LEU A 41 -2.908 -1.803 -1.584 1.00 72.42 C ATOM 642 CD2 LEU A 41 -2.752 0.529 -2.620 1.00 54.24 C ATOM 0 H LEU A 41 -5.708 0.618 -4.426 1.00 65.41 H new ATOM 0 HA LEU A 41 -4.228 -1.814 -3.936 1.00 4.41 H new ATOM 0 HB2 LEU A 41 -5.523 0.371 -2.388 1.00 41.14 H new ATOM 0 HB3 LEU A 41 -5.636 -1.197 -1.615 1.00 41.14 H new ATOM 0 HG LEU A 41 -3.704 0.021 -0.778 1.00 24.41 H new ATOM 0 HD11 LEU A 41 -1.904 -1.649 -1.189 1.00 72.42 H new ATOM 0 HD12 LEU A 41 -3.481 -2.417 -0.889 1.00 72.42 H new ATOM 0 HD13 LEU A 41 -2.845 -2.308 -2.548 1.00 72.42 H new ATOM 0 HD21 LEU A 41 -1.756 0.617 -2.186 1.00 54.24 H new ATOM 0 HD22 LEU A 41 -2.672 0.140 -3.635 1.00 54.24 H new ATOM 0 HD23 LEU A 41 -3.225 1.511 -2.644 1.00 54.24 H new ATOM 654 N ASN A 42 -7.515 -1.899 -4.088 1.00 61.30 N ATOM 655 CA ASN A 42 -8.714 -2.759 -4.248 1.00 62.13 C ATOM 656 C ASN A 42 -8.448 -3.873 -5.280 1.00 1.42 C ATOM 657 O ASN A 42 -8.652 -5.057 -4.987 1.00 21.22 O ATOM 658 CB ASN A 42 -9.937 -1.877 -4.666 1.00 24.45 C ATOM 659 CG ASN A 42 -11.207 -2.640 -5.081 1.00 12.50 C ATOM 660 OD1 ASN A 42 -11.502 -3.730 -4.591 1.00 73.10 O ATOM 661 ND2 ASN A 42 -11.975 -2.053 -5.989 1.00 60.01 N ATOM 0 H ASN A 42 -7.705 -0.911 -4.254 1.00 61.30 H new ATOM 0 HA ASN A 42 -8.942 -3.241 -3.297 1.00 62.13 H new ATOM 0 HB2 ASN A 42 -10.187 -1.220 -3.833 1.00 24.45 H new ATOM 0 HB3 ASN A 42 -9.633 -1.239 -5.496 1.00 24.45 H new ATOM 0 HD21 ASN A 42 -12.835 -2.505 -6.299 1.00 60.01 H new ATOM 0 HD22 ASN A 42 -11.705 -1.149 -6.378 1.00 60.01 H new ATOM 668 N GLU A 43 -7.958 -3.476 -6.469 1.00 2.34 N ATOM 669 CA GLU A 43 -7.655 -4.415 -7.569 1.00 5.32 C ATOM 670 C GLU A 43 -6.341 -5.190 -7.311 1.00 14.13 C ATOM 671 O GLU A 43 -6.228 -6.365 -7.687 1.00 35.34 O ATOM 672 CB GLU A 43 -7.596 -3.647 -8.921 1.00 43.44 C ATOM 673 CG GLU A 43 -6.527 -2.537 -8.987 1.00 34.04 C ATOM 674 CD GLU A 43 -6.542 -1.747 -10.304 1.00 21.01 C ATOM 675 OE1 GLU A 43 -6.179 -2.324 -11.349 1.00 14.55 O ATOM 676 OE2 GLU A 43 -6.909 -0.553 -10.302 1.00 44.32 O ATOM 0 H GLU A 43 -7.761 -2.501 -6.695 1.00 2.34 H new ATOM 0 HA GLU A 43 -8.456 -5.153 -7.619 1.00 5.32 H new ATOM 0 HB2 GLU A 43 -7.407 -4.362 -9.721 1.00 43.44 H new ATOM 0 HB3 GLU A 43 -8.573 -3.203 -9.114 1.00 43.44 H new ATOM 0 HG2 GLU A 43 -6.680 -1.847 -8.157 1.00 34.04 H new ATOM 0 HG3 GLU A 43 -5.542 -2.984 -8.852 1.00 34.04 H new ATOM 683 N LEU A 44 -5.372 -4.519 -6.649 1.00 43.21 N ATOM 684 CA LEU A 44 -4.037 -5.089 -6.300 1.00 64.43 C ATOM 685 C LEU A 44 -4.176 -6.353 -5.429 1.00 40.02 C ATOM 686 O LEU A 44 -3.366 -7.285 -5.538 1.00 62.41 O ATOM 687 CB LEU A 44 -3.210 -3.974 -5.594 1.00 74.23 C ATOM 688 CG LEU A 44 -1.730 -4.250 -5.129 1.00 75.51 C ATOM 689 CD1 LEU A 44 -0.926 -2.928 -5.051 1.00 51.23 C ATOM 690 CD2 LEU A 44 -1.691 -4.947 -3.753 1.00 64.04 C ATOM 0 H LEU A 44 -5.489 -3.555 -6.336 1.00 43.21 H new ATOM 0 HA LEU A 44 -3.516 -5.408 -7.202 1.00 64.43 H new ATOM 0 HB2 LEU A 44 -3.181 -3.119 -6.269 1.00 74.23 H new ATOM 0 HB3 LEU A 44 -3.772 -3.666 -4.712 1.00 74.23 H new ATOM 0 HG LEU A 44 -1.278 -4.910 -5.869 1.00 75.51 H new ATOM 0 HD11 LEU A 44 0.093 -3.140 -4.728 1.00 51.23 H new ATOM 0 HD12 LEU A 44 -0.905 -2.457 -6.034 1.00 51.23 H new ATOM 0 HD13 LEU A 44 -1.400 -2.255 -4.336 1.00 51.23 H new ATOM 0 HD21 LEU A 44 -0.655 -5.122 -3.463 1.00 64.04 H new ATOM 0 HD22 LEU A 44 -2.173 -4.312 -3.010 1.00 64.04 H new ATOM 0 HD23 LEU A 44 -2.217 -5.900 -3.813 1.00 64.04 H new ATOM 702 N LYS A 45 -5.216 -6.358 -4.575 1.00 42.44 N ATOM 703 CA LYS A 45 -5.568 -7.492 -3.700 1.00 32.32 C ATOM 704 C LYS A 45 -5.751 -8.800 -4.492 1.00 74.22 C ATOM 705 O LYS A 45 -5.187 -9.847 -4.141 1.00 41.40 O ATOM 706 CB LYS A 45 -6.870 -7.144 -2.925 1.00 43.02 C ATOM 707 CG LYS A 45 -7.326 -8.221 -1.930 1.00 62.24 C ATOM 708 CD LYS A 45 -8.496 -7.766 -1.031 1.00 3.51 C ATOM 709 CE LYS A 45 -9.732 -7.321 -1.826 1.00 61.32 C ATOM 710 NZ LYS A 45 -10.828 -6.837 -0.936 1.00 42.32 N ATOM 0 H LYS A 45 -5.845 -5.562 -4.472 1.00 42.44 H new ATOM 0 HA LYS A 45 -4.746 -7.656 -3.003 1.00 32.32 H new ATOM 0 HB2 LYS A 45 -6.718 -6.210 -2.385 1.00 43.02 H new ATOM 0 HB3 LYS A 45 -7.670 -6.970 -3.644 1.00 43.02 H new ATOM 0 HG2 LYS A 45 -7.626 -9.112 -2.482 1.00 62.24 H new ATOM 0 HG3 LYS A 45 -6.483 -8.505 -1.301 1.00 62.24 H new ATOM 0 HD2 LYS A 45 -8.775 -8.584 -0.367 1.00 3.51 H new ATOM 0 HD3 LYS A 45 -8.162 -6.942 -0.400 1.00 3.51 H new ATOM 0 HE2 LYS A 45 -9.451 -6.527 -2.518 1.00 61.32 H new ATOM 0 HE3 LYS A 45 -10.095 -8.155 -2.427 1.00 61.32 H new ATOM 0 HZ1 LYS A 45 -11.602 -6.453 -1.515 1.00 42.32 H new ATOM 0 HZ2 LYS A 45 -11.185 -7.628 -0.363 1.00 42.32 H new ATOM 0 HZ3 LYS A 45 -10.463 -6.092 -0.309 1.00 42.32 H new ATOM 724 N ASP A 46 -6.506 -8.694 -5.588 1.00 24.03 N ATOM 725 CA ASP A 46 -6.810 -9.813 -6.493 1.00 62.13 C ATOM 726 C ASP A 46 -5.536 -10.319 -7.189 1.00 33.54 C ATOM 727 O ASP A 46 -5.377 -11.518 -7.439 1.00 42.34 O ATOM 728 CB ASP A 46 -7.831 -9.344 -7.558 1.00 72.21 C ATOM 729 CG ASP A 46 -9.150 -8.826 -6.956 1.00 71.12 C ATOM 730 OD1 ASP A 46 -9.173 -7.684 -6.451 1.00 53.50 O ATOM 731 OD2 ASP A 46 -10.166 -9.555 -6.993 1.00 72.23 O ATOM 0 H ASP A 46 -6.932 -7.814 -5.879 1.00 24.03 H new ATOM 0 HA ASP A 46 -7.229 -10.632 -5.908 1.00 62.13 H new ATOM 0 HB2 ASP A 46 -7.380 -8.555 -8.159 1.00 72.21 H new ATOM 0 HB3 ASP A 46 -8.049 -10.173 -8.231 1.00 72.21 H new ATOM 736 N TYR A 47 -4.630 -9.376 -7.481 1.00 72.55 N ATOM 737 CA TYR A 47 -3.396 -9.659 -8.215 1.00 22.12 C ATOM 738 C TYR A 47 -2.370 -10.427 -7.349 1.00 1.43 C ATOM 739 O TYR A 47 -1.663 -11.303 -7.862 1.00 43.11 O ATOM 740 CB TYR A 47 -2.798 -8.349 -8.770 1.00 70.02 C ATOM 741 CG TYR A 47 -3.666 -7.648 -9.826 1.00 13.23 C ATOM 742 CD1 TYR A 47 -4.215 -8.360 -10.896 1.00 30.35 C ATOM 743 CD2 TYR A 47 -3.924 -6.279 -9.766 1.00 33.11 C ATOM 744 CE1 TYR A 47 -4.988 -7.733 -11.855 1.00 65.24 C ATOM 745 CE2 TYR A 47 -4.698 -5.647 -10.721 1.00 21.14 C ATOM 746 CZ TYR A 47 -5.229 -6.376 -11.765 1.00 63.31 C ATOM 747 OH TYR A 47 -6.009 -5.750 -12.723 1.00 11.21 O ATOM 0 H TYR A 47 -4.735 -8.397 -7.214 1.00 72.55 H new ATOM 0 HA TYR A 47 -3.644 -10.311 -9.053 1.00 22.12 H new ATOM 0 HB2 TYR A 47 -2.631 -7.661 -7.941 1.00 70.02 H new ATOM 0 HB3 TYR A 47 -1.823 -8.566 -9.206 1.00 70.02 H new ATOM 0 HD1 TYR A 47 -4.032 -9.421 -10.975 1.00 30.35 H new ATOM 0 HD2 TYR A 47 -3.510 -5.699 -8.955 1.00 33.11 H new ATOM 0 HE1 TYR A 47 -5.403 -8.303 -12.673 1.00 65.24 H new ATOM 0 HE2 TYR A 47 -4.886 -4.586 -10.650 1.00 21.14 H new ATOM 0 HH TYR A 47 -6.082 -4.796 -12.513 1.00 11.21 H new ATOM 757 N ILE A 48 -2.286 -10.104 -6.041 1.00 73.11 N ATOM 758 CA ILE A 48 -1.419 -10.851 -5.091 1.00 40.11 C ATOM 759 C ILE A 48 -2.006 -12.261 -4.852 1.00 41.43 C ATOM 760 O ILE A 48 -1.278 -13.263 -4.884 1.00 1.42 O ATOM 761 CB ILE A 48 -1.237 -10.097 -3.709 1.00 73.41 C ATOM 762 CG1 ILE A 48 -0.522 -8.725 -3.921 1.00 4.50 C ATOM 763 CG2 ILE A 48 -0.465 -10.968 -2.675 1.00 73.21 C ATOM 764 CD1 ILE A 48 -0.242 -7.955 -2.639 1.00 72.21 C ATOM 0 H ILE A 48 -2.804 -9.335 -5.615 1.00 73.11 H new ATOM 0 HA ILE A 48 -0.430 -10.928 -5.543 1.00 40.11 H new ATOM 0 HB ILE A 48 -2.231 -9.911 -3.302 1.00 73.41 H new ATOM 0 HG12 ILE A 48 0.421 -8.897 -4.440 1.00 4.50 H new ATOM 0 HG13 ILE A 48 -1.137 -8.106 -4.575 1.00 4.50 H new ATOM 0 HG21 ILE A 48 -0.360 -10.416 -1.741 1.00 73.21 H new ATOM 0 HG22 ILE A 48 -1.017 -11.890 -2.492 1.00 73.21 H new ATOM 0 HG23 ILE A 48 0.523 -11.208 -3.067 1.00 73.21 H new ATOM 0 HD11 ILE A 48 0.256 -7.016 -2.880 1.00 72.21 H new ATOM 0 HD12 ILE A 48 -1.182 -7.747 -2.127 1.00 72.21 H new ATOM 0 HD13 ILE A 48 0.401 -8.550 -1.990 1.00 72.21 H new ATOM 776 N LYS A 49 -3.345 -12.308 -4.671 1.00 45.31 N ATOM 777 CA LYS A 49 -4.104 -13.556 -4.407 1.00 24.14 C ATOM 778 C LYS A 49 -4.065 -14.520 -5.620 1.00 65.12 C ATOM 779 O LYS A 49 -4.264 -15.734 -5.470 1.00 20.41 O ATOM 780 CB LYS A 49 -5.570 -13.198 -4.019 1.00 74.23 C ATOM 781 CG LYS A 49 -6.416 -14.389 -3.517 1.00 3.41 C ATOM 782 CD LYS A 49 -7.839 -13.980 -3.050 1.00 24.03 C ATOM 783 CE LYS A 49 -8.629 -15.165 -2.466 1.00 60.43 C ATOM 784 NZ LYS A 49 -8.795 -16.274 -3.450 1.00 4.33 N ATOM 0 H LYS A 49 -3.935 -11.477 -4.704 1.00 45.31 H new ATOM 0 HA LYS A 49 -3.632 -14.080 -3.576 1.00 24.14 H new ATOM 0 HB2 LYS A 49 -5.549 -12.433 -3.243 1.00 74.23 H new ATOM 0 HB3 LYS A 49 -6.064 -12.760 -4.886 1.00 74.23 H new ATOM 0 HG2 LYS A 49 -6.501 -15.127 -4.315 1.00 3.41 H new ATOM 0 HG3 LYS A 49 -5.895 -14.872 -2.690 1.00 3.41 H new ATOM 0 HD2 LYS A 49 -7.760 -13.194 -2.299 1.00 24.03 H new ATOM 0 HD3 LYS A 49 -8.388 -13.561 -3.893 1.00 24.03 H new ATOM 0 HE2 LYS A 49 -8.115 -15.541 -1.581 1.00 60.43 H new ATOM 0 HE3 LYS A 49 -9.611 -14.820 -2.142 1.00 60.43 H new ATOM 0 HZ1 LYS A 49 -9.417 -17.004 -3.049 1.00 4.33 H new ATOM 0 HZ2 LYS A 49 -9.217 -15.902 -4.325 1.00 4.33 H new ATOM 0 HZ3 LYS A 49 -7.866 -16.690 -3.664 1.00 4.33 H new ATOM 798 N LYS A 50 -3.790 -13.951 -6.812 1.00 2.22 N ATOM 799 CA LYS A 50 -3.609 -14.704 -8.073 1.00 74.14 C ATOM 800 C LYS A 50 -2.556 -15.823 -7.926 1.00 21.22 C ATOM 801 O LYS A 50 -2.740 -16.936 -8.432 1.00 0.25 O ATOM 802 CB LYS A 50 -3.177 -13.721 -9.201 1.00 12.14 C ATOM 803 CG LYS A 50 -2.959 -14.363 -10.591 1.00 11.03 C ATOM 804 CD LYS A 50 -2.403 -13.384 -11.663 1.00 44.22 C ATOM 805 CE LYS A 50 -0.919 -12.994 -11.474 1.00 72.43 C ATOM 806 NZ LYS A 50 -0.694 -12.028 -10.363 1.00 11.05 N ATOM 0 H LYS A 50 -3.686 -12.943 -6.928 1.00 2.22 H new ATOM 0 HA LYS A 50 -4.559 -15.175 -8.326 1.00 74.14 H new ATOM 0 HB2 LYS A 50 -3.936 -12.944 -9.293 1.00 12.14 H new ATOM 0 HB3 LYS A 50 -2.253 -13.229 -8.897 1.00 12.14 H new ATOM 0 HG2 LYS A 50 -2.270 -15.201 -10.488 1.00 11.03 H new ATOM 0 HG3 LYS A 50 -3.906 -14.771 -10.944 1.00 11.03 H new ATOM 0 HD2 LYS A 50 -2.523 -13.838 -12.647 1.00 44.22 H new ATOM 0 HD3 LYS A 50 -3.007 -12.477 -11.655 1.00 44.22 H new ATOM 0 HE2 LYS A 50 -0.336 -13.895 -11.284 1.00 72.43 H new ATOM 0 HE3 LYS A 50 -0.544 -12.562 -12.402 1.00 72.43 H new ATOM 0 HZ1 LYS A 50 0.207 -11.530 -10.513 1.00 11.05 H new ATOM 0 HZ2 LYS A 50 -1.471 -11.338 -10.340 1.00 11.05 H new ATOM 0 HZ3 LYS A 50 -0.660 -12.541 -9.459 1.00 11.05 H new ATOM 820 N GLN A 51 -1.453 -15.507 -7.235 1.00 5.21 N ATOM 821 CA GLN A 51 -0.333 -16.446 -7.027 1.00 2.23 C ATOM 822 C GLN A 51 -0.201 -16.789 -5.531 1.00 33.42 C ATOM 823 O GLN A 51 -0.859 -16.172 -4.687 1.00 24.52 O ATOM 824 CB GLN A 51 0.988 -15.816 -7.565 1.00 33.54 C ATOM 825 CG GLN A 51 0.938 -15.339 -9.035 1.00 25.42 C ATOM 826 CD GLN A 51 0.620 -16.431 -10.069 1.00 5.13 C ATOM 827 OE1 GLN A 51 -0.034 -16.168 -11.078 1.00 51.34 O ATOM 828 NE2 GLN A 51 1.134 -17.634 -9.874 1.00 64.32 N ATOM 0 H GLN A 51 -1.308 -14.595 -6.803 1.00 5.21 H new ATOM 0 HA GLN A 51 -0.529 -17.368 -7.574 1.00 2.23 H new ATOM 0 HB2 GLN A 51 1.251 -14.968 -6.933 1.00 33.54 H new ATOM 0 HB3 GLN A 51 1.789 -16.549 -7.464 1.00 33.54 H new ATOM 0 HG2 GLN A 51 0.188 -14.552 -9.119 1.00 25.42 H new ATOM 0 HG3 GLN A 51 1.899 -14.891 -9.287 1.00 25.42 H new ATOM 0 HE21 GLN A 51 1.672 -17.828 -9.030 1.00 64.32 H new ATOM 0 HE22 GLN A 51 0.992 -18.368 -10.568 1.00 64.32 H new ATOM 837 N GLY A 52 0.675 -17.765 -5.209 1.00 24.34 N ATOM 838 CA GLY A 52 0.957 -18.146 -3.816 1.00 25.42 C ATOM 839 C GLY A 52 2.174 -17.424 -3.244 1.00 12.21 C ATOM 840 O GLY A 52 2.892 -17.970 -2.395 1.00 11.31 O ATOM 0 H GLY A 52 1.198 -18.302 -5.900 1.00 24.34 H new ATOM 0 HA2 GLY A 52 0.086 -17.925 -3.200 1.00 25.42 H new ATOM 0 HA3 GLY A 52 1.120 -19.222 -3.764 1.00 25.42 H new ATOM 844 N CYS A 53 2.401 -16.186 -3.721 1.00 3.22 N ATOM 845 CA CYS A 53 3.506 -15.338 -3.268 1.00 3.02 C ATOM 846 C CYS A 53 3.186 -14.786 -1.860 1.00 2.32 C ATOM 847 O CYS A 53 2.391 -13.846 -1.715 1.00 52.22 O ATOM 848 CB CYS A 53 3.734 -14.195 -4.279 1.00 73.30 C ATOM 849 SG CYS A 53 4.001 -14.750 -6.016 1.00 31.23 S ATOM 0 H CYS A 53 1.817 -15.749 -4.434 1.00 3.22 H new ATOM 0 HA CYS A 53 4.424 -15.923 -3.207 1.00 3.02 H new ATOM 0 HB2 CYS A 53 2.873 -13.527 -4.253 1.00 73.30 H new ATOM 0 HB3 CYS A 53 4.599 -13.613 -3.960 1.00 73.30 H new ATOM 854 N LYS A 54 3.778 -15.421 -0.833 1.00 35.14 N ATOM 855 CA LYS A 54 3.526 -15.093 0.592 1.00 32.42 C ATOM 856 C LYS A 54 4.278 -13.825 1.044 1.00 43.54 C ATOM 857 O LYS A 54 4.033 -13.315 2.143 1.00 74.53 O ATOM 858 CB LYS A 54 3.926 -16.306 1.476 1.00 63.44 C ATOM 859 CG LYS A 54 3.134 -17.598 1.181 1.00 71.05 C ATOM 860 CD LYS A 54 1.627 -17.459 1.470 1.00 31.33 C ATOM 861 CE LYS A 54 0.856 -18.775 1.270 1.00 52.13 C ATOM 862 NZ LYS A 54 -0.581 -18.624 1.636 1.00 42.42 N ATOM 0 H LYS A 54 4.448 -16.179 -0.963 1.00 35.14 H new ATOM 0 HA LYS A 54 2.462 -14.884 0.706 1.00 32.42 H new ATOM 0 HB2 LYS A 54 4.989 -16.506 1.338 1.00 63.44 H new ATOM 0 HB3 LYS A 54 3.785 -16.039 2.523 1.00 63.44 H new ATOM 0 HG2 LYS A 54 3.274 -17.873 0.136 1.00 71.05 H new ATOM 0 HG3 LYS A 54 3.540 -18.412 1.782 1.00 71.05 H new ATOM 0 HD2 LYS A 54 1.489 -17.115 2.495 1.00 31.33 H new ATOM 0 HD3 LYS A 54 1.206 -16.694 0.817 1.00 31.33 H new ATOM 0 HE2 LYS A 54 0.937 -19.091 0.230 1.00 52.13 H new ATOM 0 HE3 LYS A 54 1.307 -19.559 1.878 1.00 52.13 H new ATOM 0 HZ1 LYS A 54 -1.073 -19.528 1.490 1.00 42.42 H new ATOM 0 HZ2 LYS A 54 -0.657 -18.345 2.635 1.00 42.42 H new ATOM 0 HZ3 LYS A 54 -1.016 -17.893 1.038 1.00 42.42 H new ATOM 876 N ARG A 55 5.199 -13.338 0.200 1.00 10.23 N ATOM 877 CA ARG A 55 5.985 -12.122 0.467 1.00 62.40 C ATOM 878 C ARG A 55 5.562 -11.003 -0.503 1.00 21.44 C ATOM 879 O ARG A 55 5.621 -11.180 -1.729 1.00 54.21 O ATOM 880 CB ARG A 55 7.504 -12.447 0.323 1.00 64.22 C ATOM 881 CG ARG A 55 8.446 -11.235 0.467 1.00 20.42 C ATOM 882 CD ARG A 55 9.935 -11.608 0.393 1.00 32.34 C ATOM 883 NE ARG A 55 10.798 -10.417 0.490 1.00 34.45 N ATOM 884 CZ ARG A 55 12.002 -10.361 1.077 1.00 54.33 C ATOM 885 NH1 ARG A 55 12.538 -11.442 1.646 1.00 4.05 N ATOM 886 NH2 ARG A 55 12.670 -9.210 1.093 1.00 35.11 N ATOM 0 H ARG A 55 5.422 -13.778 -0.693 1.00 10.23 H new ATOM 0 HA ARG A 55 5.799 -11.776 1.484 1.00 62.40 H new ATOM 0 HB2 ARG A 55 7.774 -13.189 1.074 1.00 64.22 H new ATOM 0 HB3 ARG A 55 7.671 -12.904 -0.652 1.00 64.22 H new ATOM 0 HG2 ARG A 55 8.220 -10.513 -0.318 1.00 20.42 H new ATOM 0 HG3 ARG A 55 8.249 -10.742 1.419 1.00 20.42 H new ATOM 0 HD2 ARG A 55 10.178 -12.301 1.199 1.00 32.34 H new ATOM 0 HD3 ARG A 55 10.134 -12.127 -0.544 1.00 32.34 H new ATOM 0 HE ARG A 55 10.447 -9.556 0.072 1.00 34.45 H new ATOM 0 HH11 ARG A 55 12.031 -12.327 1.638 1.00 4.05 H new ATOM 0 HH12 ARG A 55 13.455 -11.384 2.089 1.00 4.05 H new ATOM 0 HH21 ARG A 55 12.265 -8.379 0.661 1.00 35.11 H new ATOM 0 HH22 ARG A 55 13.587 -9.158 1.537 1.00 35.11 H new ATOM 900 N SER A 56 5.113 -9.863 0.051 1.00 64.50 N ATOM 901 CA SER A 56 4.749 -8.669 -0.720 1.00 62.14 C ATOM 902 C SER A 56 5.238 -7.412 0.016 1.00 43.23 C ATOM 903 O SER A 56 4.741 -7.106 1.112 1.00 14.13 O ATOM 904 CB SER A 56 3.218 -8.630 -0.976 1.00 73.55 C ATOM 905 OG SER A 56 2.464 -8.696 0.233 1.00 15.45 O ATOM 0 H SER A 56 4.993 -9.747 1.057 1.00 64.50 H new ATOM 0 HA SER A 56 5.236 -8.703 -1.695 1.00 62.14 H new ATOM 0 HB2 SER A 56 2.965 -7.714 -1.510 1.00 73.55 H new ATOM 0 HB3 SER A 56 2.939 -9.463 -1.621 1.00 73.55 H new ATOM 0 HG SER A 56 2.920 -8.181 0.931 1.00 15.45 H new ATOM 911 N ARG A 57 6.234 -6.701 -0.554 1.00 14.15 N ATOM 912 CA ARG A 57 6.755 -5.452 0.029 1.00 1.41 C ATOM 913 C ARG A 57 6.133 -4.255 -0.685 1.00 52.54 C ATOM 914 O ARG A 57 6.456 -3.988 -1.842 1.00 24.25 O ATOM 915 CB ARG A 57 8.299 -5.372 -0.064 1.00 21.11 C ATOM 916 CG ARG A 57 8.915 -4.107 0.584 1.00 71.22 C ATOM 917 CD ARG A 57 10.453 -4.121 0.571 1.00 53.03 C ATOM 918 NE ARG A 57 10.987 -5.286 1.283 1.00 34.33 N ATOM 919 CZ ARG A 57 12.165 -5.363 1.917 1.00 74.02 C ATOM 920 NH1 ARG A 57 13.009 -4.327 1.957 1.00 0.22 N ATOM 921 NH2 ARG A 57 12.486 -6.497 2.519 1.00 71.24 N ATOM 0 H ARG A 57 6.694 -6.975 -1.422 1.00 14.15 H new ATOM 0 HA ARG A 57 6.485 -5.439 1.085 1.00 1.41 H new ATOM 0 HB2 ARG A 57 8.726 -6.254 0.413 1.00 21.11 H new ATOM 0 HB3 ARG A 57 8.590 -5.406 -1.114 1.00 21.11 H new ATOM 0 HG2 ARG A 57 8.560 -3.223 0.055 1.00 71.22 H new ATOM 0 HG3 ARG A 57 8.565 -4.024 1.613 1.00 71.22 H new ATOM 0 HD2 ARG A 57 10.809 -4.129 -0.459 1.00 53.03 H new ATOM 0 HD3 ARG A 57 10.830 -3.208 1.032 1.00 53.03 H new ATOM 0 HE ARG A 57 10.403 -6.122 1.297 1.00 34.33 H new ATOM 0 HH11 ARG A 57 12.762 -3.450 1.498 1.00 0.22 H new ATOM 0 HH12 ARG A 57 13.899 -4.413 2.447 1.00 0.22 H new ATOM 0 HH21 ARG A 57 11.842 -7.288 2.494 1.00 71.24 H new ATOM 0 HH22 ARG A 57 13.377 -6.580 3.008 1.00 71.24 H new ATOM 935 N THR A 58 5.248 -3.524 -0.003 1.00 62.53 N ATOM 936 CA THR A 58 4.534 -2.389 -0.595 1.00 32.35 C ATOM 937 C THR A 58 4.985 -1.087 0.054 1.00 33.14 C ATOM 938 O THR A 58 5.050 -0.999 1.277 1.00 65.21 O ATOM 939 CB THR A 58 2.998 -2.548 -0.450 1.00 24.34 C ATOM 940 OG1 THR A 58 2.662 -3.924 -0.660 1.00 70.22 O ATOM 941 CG2 THR A 58 2.230 -1.664 -1.461 1.00 41.05 C ATOM 0 H THR A 58 5.006 -3.701 0.972 1.00 62.53 H new ATOM 0 HA THR A 58 4.772 -2.364 -1.658 1.00 32.35 H new ATOM 0 HB THR A 58 2.708 -2.227 0.550 1.00 24.34 H new ATOM 0 HG1 THR A 58 1.700 -4.050 -0.523 1.00 70.22 H new ATOM 0 HG21 THR A 58 1.158 -1.805 -1.326 1.00 41.05 H new ATOM 0 HG22 THR A 58 2.482 -0.617 -1.294 1.00 41.05 H new ATOM 0 HG23 THR A 58 2.508 -1.947 -2.476 1.00 41.05 H new ATOM 949 N SER A 59 5.281 -0.084 -0.769 1.00 72.51 N ATOM 950 CA SER A 59 5.778 1.203 -0.319 1.00 41.23 C ATOM 951 C SER A 59 5.007 2.300 -1.074 1.00 11.43 C ATOM 952 O SER A 59 5.026 2.343 -2.310 1.00 33.41 O ATOM 953 CB SER A 59 7.306 1.265 -0.560 1.00 24.40 C ATOM 954 OG SER A 59 7.920 2.251 0.239 1.00 63.42 O ATOM 0 H SER A 59 5.179 -0.149 -1.782 1.00 72.51 H new ATOM 0 HA SER A 59 5.618 1.353 0.749 1.00 41.23 H new ATOM 0 HB2 SER A 59 7.748 0.293 -0.343 1.00 24.40 H new ATOM 0 HB3 SER A 59 7.500 1.476 -1.612 1.00 24.40 H new ATOM 0 HG SER A 59 8.131 1.874 1.119 1.00 63.42 H new ATOM 960 N ILE A 60 4.306 3.157 -0.317 1.00 4.34 N ATOM 961 CA ILE A 60 3.402 4.189 -0.849 1.00 41.05 C ATOM 962 C ILE A 60 3.956 5.580 -0.501 1.00 75.31 C ATOM 963 O ILE A 60 4.139 5.885 0.694 1.00 51.41 O ATOM 964 CB ILE A 60 1.954 4.001 -0.244 1.00 24.51 C ATOM 965 CG1 ILE A 60 1.311 2.667 -0.743 1.00 71.44 C ATOM 966 CG2 ILE A 60 1.043 5.202 -0.553 1.00 20.11 C ATOM 967 CD1 ILE A 60 -0.089 2.395 -0.209 1.00 41.23 C ATOM 0 H ILE A 60 4.352 3.153 0.702 1.00 4.34 H new ATOM 0 HA ILE A 60 3.337 4.095 -1.933 1.00 41.05 H new ATOM 0 HB ILE A 60 2.059 3.946 0.840 1.00 24.51 H new ATOM 0 HG12 ILE A 60 1.272 2.684 -1.832 1.00 71.44 H new ATOM 0 HG13 ILE A 60 1.960 1.839 -0.460 1.00 71.44 H new ATOM 0 HG21 ILE A 60 0.057 5.032 -0.119 1.00 20.11 H new ATOM 0 HG22 ILE A 60 1.476 6.107 -0.126 1.00 20.11 H new ATOM 0 HG23 ILE A 60 0.949 5.319 -1.633 1.00 20.11 H new ATOM 0 HD11 ILE A 60 -0.453 1.449 -0.609 1.00 41.23 H new ATOM 0 HD12 ILE A 60 -0.059 2.342 0.879 1.00 41.23 H new ATOM 0 HD13 ILE A 60 -0.758 3.200 -0.515 1.00 41.23 H new ATOM 979 N THR A 61 4.242 6.404 -1.539 1.00 63.24 N ATOM 980 CA THR A 61 4.768 7.761 -1.362 1.00 44.24 C ATOM 981 C THR A 61 3.725 8.645 -0.667 1.00 3.15 C ATOM 982 O THR A 61 2.715 9.051 -1.261 1.00 11.52 O ATOM 983 CB THR A 61 5.181 8.407 -2.723 1.00 73.12 C ATOM 984 OG1 THR A 61 6.084 7.533 -3.417 1.00 24.33 O ATOM 985 CG2 THR A 61 5.841 9.793 -2.547 1.00 22.41 C ATOM 0 H THR A 61 4.112 6.139 -2.515 1.00 63.24 H new ATOM 0 HA THR A 61 5.661 7.687 -0.741 1.00 44.24 H new ATOM 0 HB THR A 61 4.268 8.551 -3.301 1.00 73.12 H new ATOM 0 HG1 THR A 61 6.692 8.065 -3.972 1.00 24.33 H new ATOM 0 HG21 THR A 61 6.108 10.196 -3.524 1.00 22.41 H new ATOM 0 HG22 THR A 61 5.142 10.469 -2.055 1.00 22.41 H new ATOM 0 HG23 THR A 61 6.739 9.693 -1.938 1.00 22.41 H new ATOM 993 N ALA A 62 3.971 8.869 0.616 1.00 32.13 N ATOM 994 CA ALA A 62 3.207 9.772 1.454 1.00 22.50 C ATOM 995 C ALA A 62 4.078 10.999 1.719 1.00 10.32 C ATOM 996 O ALA A 62 5.229 10.857 2.131 1.00 13.10 O ATOM 997 CB ALA A 62 2.837 9.038 2.733 1.00 2.43 C ATOM 0 H ALA A 62 4.733 8.411 1.115 1.00 32.13 H new ATOM 0 HA ALA A 62 2.282 10.100 0.981 1.00 22.50 H new ATOM 0 HB1 ALA A 62 2.261 9.700 3.379 1.00 2.43 H new ATOM 0 HB2 ALA A 62 2.240 8.160 2.489 1.00 2.43 H new ATOM 0 HB3 ALA A 62 3.745 8.727 3.250 1.00 2.43 H new ATOM 1003 N ARG A 63 3.545 12.191 1.455 1.00 13.32 N ATOM 1004 CA ARG A 63 4.338 13.438 1.477 1.00 1.31 C ATOM 1005 C ARG A 63 4.810 13.821 2.890 1.00 25.13 C ATOM 1006 O ARG A 63 5.777 14.578 3.042 1.00 43.14 O ATOM 1007 CB ARG A 63 3.516 14.574 0.818 1.00 53.24 C ATOM 1008 CG ARG A 63 3.333 14.398 -0.702 1.00 34.31 C ATOM 1009 CD ARG A 63 4.641 14.618 -1.461 1.00 74.22 C ATOM 1010 NE ARG A 63 5.091 16.016 -1.356 1.00 45.43 N ATOM 1011 CZ ARG A 63 6.321 16.466 -1.647 1.00 3.10 C ATOM 1012 NH1 ARG A 63 7.274 15.647 -2.082 1.00 2.02 N ATOM 1013 NH2 ARG A 63 6.593 17.753 -1.480 1.00 42.02 N ATOM 0 H ARG A 63 2.562 12.329 1.221 1.00 13.32 H new ATOM 0 HA ARG A 63 5.250 13.272 0.903 1.00 1.31 H new ATOM 0 HB2 ARG A 63 2.535 14.623 1.291 1.00 53.24 H new ATOM 0 HB3 ARG A 63 4.010 15.527 1.009 1.00 53.24 H new ATOM 0 HG2 ARG A 63 2.957 13.396 -0.909 1.00 34.31 H new ATOM 0 HG3 ARG A 63 2.582 15.101 -1.061 1.00 34.31 H new ATOM 0 HD2 ARG A 63 5.410 13.955 -1.064 1.00 74.22 H new ATOM 0 HD3 ARG A 63 4.504 14.355 -2.510 1.00 74.22 H new ATOM 0 HE ARG A 63 4.408 16.702 -1.034 1.00 45.43 H new ATOM 0 HH11 ARG A 63 7.077 14.653 -2.201 1.00 2.02 H new ATOM 0 HH12 ARG A 63 8.202 16.013 -2.297 1.00 2.02 H new ATOM 0 HH21 ARG A 63 5.872 18.386 -1.135 1.00 42.02 H new ATOM 0 HH22 ARG A 63 7.524 18.110 -1.697 1.00 42.02 H new ATOM 1027 N THR A 64 4.123 13.293 3.911 1.00 73.33 N ATOM 1028 CA THR A 64 4.519 13.442 5.321 1.00 50.13 C ATOM 1029 C THR A 64 4.334 12.101 6.064 1.00 31.40 C ATOM 1030 O THR A 64 3.705 11.173 5.540 1.00 5.32 O ATOM 1031 CB THR A 64 3.684 14.558 6.032 1.00 45.52 C ATOM 1032 OG1 THR A 64 2.296 14.236 5.972 1.00 55.23 O ATOM 1033 CG2 THR A 64 3.896 15.958 5.417 1.00 64.12 C ATOM 0 H THR A 64 3.271 12.747 3.783 1.00 73.33 H new ATOM 0 HA THR A 64 5.569 13.734 5.346 1.00 50.13 H new ATOM 0 HB THR A 64 4.033 14.595 7.064 1.00 45.52 H new ATOM 0 HG1 THR A 64 1.924 14.550 5.122 1.00 55.23 H new ATOM 0 HG21 THR A 64 3.290 16.687 5.954 1.00 64.12 H new ATOM 0 HG22 THR A 64 4.948 16.234 5.494 1.00 64.12 H new ATOM 0 HG23 THR A 64 3.601 15.943 4.368 1.00 64.12 H new ATOM 1041 N LYS A 65 4.892 12.017 7.288 1.00 32.34 N ATOM 1042 CA LYS A 65 4.714 10.866 8.191 1.00 52.15 C ATOM 1043 C LYS A 65 3.235 10.715 8.611 1.00 25.41 C ATOM 1044 O LYS A 65 2.747 9.597 8.799 1.00 0.10 O ATOM 1045 CB LYS A 65 5.607 11.048 9.449 1.00 31.21 C ATOM 1046 CG LYS A 65 5.555 9.876 10.457 1.00 34.04 C ATOM 1047 CD LYS A 65 6.222 10.221 11.815 1.00 24.43 C ATOM 1048 CE LYS A 65 5.501 11.362 12.568 1.00 43.42 C ATOM 1049 NZ LYS A 65 6.134 11.649 13.897 1.00 32.12 N ATOM 0 H LYS A 65 5.482 12.751 7.679 1.00 32.34 H new ATOM 0 HA LYS A 65 5.010 9.961 7.661 1.00 52.15 H new ATOM 0 HB2 LYS A 65 6.639 11.187 9.127 1.00 31.21 H new ATOM 0 HB3 LYS A 65 5.307 11.962 9.961 1.00 31.21 H new ATOM 0 HG2 LYS A 65 4.516 9.596 10.629 1.00 34.04 H new ATOM 0 HG3 LYS A 65 6.051 9.008 10.024 1.00 34.04 H new ATOM 0 HD2 LYS A 65 6.236 9.330 12.443 1.00 24.43 H new ATOM 0 HD3 LYS A 65 7.260 10.506 11.642 1.00 24.43 H new ATOM 0 HE2 LYS A 65 5.516 12.265 11.957 1.00 43.42 H new ATOM 0 HE3 LYS A 65 4.455 11.094 12.716 1.00 43.42 H new ATOM 0 HZ1 LYS A 65 5.619 12.420 14.367 1.00 32.12 H new ATOM 0 HZ2 LYS A 65 6.097 10.796 14.490 1.00 32.12 H new ATOM 0 HZ3 LYS A 65 7.125 11.930 13.756 1.00 32.12 H new ATOM 1063 N LYS A 66 2.528 11.859 8.735 1.00 3.31 N ATOM 1064 CA LYS A 66 1.091 11.888 9.112 1.00 4.31 C ATOM 1065 C LYS A 66 0.221 11.297 7.964 1.00 54.50 C ATOM 1066 O LYS A 66 -0.902 10.825 8.184 1.00 31.21 O ATOM 1067 CB LYS A 66 0.643 13.348 9.483 1.00 11.43 C ATOM 1068 CG LYS A 66 -0.249 13.467 10.752 1.00 0.32 C ATOM 1069 CD LYS A 66 -1.606 12.726 10.643 1.00 25.31 C ATOM 1070 CE LYS A 66 -2.383 12.710 11.971 1.00 74.23 C ATOM 1071 NZ LYS A 66 -1.615 12.037 13.056 1.00 40.01 N ATOM 0 H LYS A 66 2.930 12.783 8.579 1.00 3.31 H new ATOM 0 HA LYS A 66 0.947 11.267 9.996 1.00 4.31 H new ATOM 0 HB2 LYS A 66 1.534 13.958 9.627 1.00 11.43 H new ATOM 0 HB3 LYS A 66 0.101 13.770 8.637 1.00 11.43 H new ATOM 0 HG2 LYS A 66 0.300 13.073 11.607 1.00 0.32 H new ATOM 0 HG3 LYS A 66 -0.438 14.522 10.953 1.00 0.32 H new ATOM 0 HD2 LYS A 66 -2.216 13.204 9.876 1.00 25.31 H new ATOM 0 HD3 LYS A 66 -1.430 11.701 10.317 1.00 25.31 H new ATOM 0 HE2 LYS A 66 -2.613 13.733 12.270 1.00 74.23 H new ATOM 0 HE3 LYS A 66 -3.335 12.198 11.829 1.00 74.23 H new ATOM 0 HZ1 LYS A 66 -2.208 11.306 13.499 1.00 40.01 H new ATOM 0 HZ2 LYS A 66 -0.763 11.595 12.656 1.00 40.01 H new ATOM 0 HZ3 LYS A 66 -1.338 12.739 13.772 1.00 40.01 H new ATOM 1085 N GLU A 67 0.755 11.343 6.735 1.00 14.35 N ATOM 1086 CA GLU A 67 0.146 10.682 5.565 1.00 20.51 C ATOM 1087 C GLU A 67 0.554 9.204 5.498 1.00 44.20 C ATOM 1088 O GLU A 67 -0.225 8.355 5.063 1.00 61.32 O ATOM 1089 CB GLU A 67 0.559 11.414 4.269 1.00 30.52 C ATOM 1090 CG GLU A 67 0.024 12.848 4.168 1.00 64.45 C ATOM 1091 CD GLU A 67 0.614 13.621 2.986 1.00 41.12 C ATOM 1092 OE1 GLU A 67 0.617 13.087 1.853 1.00 41.42 O ATOM 1093 OE2 GLU A 67 1.096 14.758 3.186 1.00 4.42 O ATOM 0 H GLU A 67 1.621 11.838 6.521 1.00 14.35 H new ATOM 0 HA GLU A 67 -0.938 10.729 5.668 1.00 20.51 H new ATOM 0 HB2 GLU A 67 1.647 11.437 4.207 1.00 30.52 H new ATOM 0 HB3 GLU A 67 0.203 10.843 3.412 1.00 30.52 H new ATOM 0 HG2 GLU A 67 -1.061 12.820 4.072 1.00 64.45 H new ATOM 0 HG3 GLU A 67 0.248 13.380 5.092 1.00 64.45 H new ATOM 1100 N ALA A 68 1.780 8.918 5.935 1.00 30.12 N ATOM 1101 CA ALA A 68 2.348 7.564 5.905 1.00 22.43 C ATOM 1102 C ALA A 68 1.609 6.628 6.878 1.00 21.50 C ATOM 1103 O ALA A 68 1.392 5.452 6.578 1.00 61.53 O ATOM 1104 CB ALA A 68 3.847 7.636 6.205 1.00 5.34 C ATOM 0 H ALA A 68 2.412 9.619 6.322 1.00 30.12 H new ATOM 0 HA ALA A 68 2.216 7.141 4.909 1.00 22.43 H new ATOM 0 HB1 ALA A 68 4.271 6.632 6.183 1.00 5.34 H new ATOM 0 HB2 ALA A 68 4.339 8.254 5.454 1.00 5.34 H new ATOM 0 HB3 ALA A 68 4.000 8.073 7.192 1.00 5.34 H new ATOM 1110 N GLU A 69 1.193 7.175 8.028 1.00 70.31 N ATOM 1111 CA GLU A 69 0.456 6.409 9.045 1.00 12.32 C ATOM 1112 C GLU A 69 -0.979 6.072 8.569 1.00 74.22 C ATOM 1113 O GLU A 69 -1.466 4.970 8.812 1.00 51.22 O ATOM 1114 CB GLU A 69 0.425 7.169 10.398 1.00 2.24 C ATOM 1115 CG GLU A 69 -0.265 8.537 10.340 1.00 52.13 C ATOM 1116 CD GLU A 69 -0.407 9.221 11.706 1.00 23.32 C ATOM 1117 OE1 GLU A 69 0.539 9.897 12.151 1.00 13.13 O ATOM 1118 OE2 GLU A 69 -1.474 9.085 12.344 1.00 3.11 O ATOM 0 H GLU A 69 1.355 8.150 8.279 1.00 70.31 H new ATOM 0 HA GLU A 69 0.985 5.468 9.196 1.00 12.32 H new ATOM 0 HB2 GLU A 69 -0.084 6.550 11.137 1.00 2.24 H new ATOM 0 HB3 GLU A 69 1.448 7.306 10.747 1.00 2.24 H new ATOM 0 HG2 GLU A 69 0.300 9.190 9.675 1.00 52.13 H new ATOM 0 HG3 GLU A 69 -1.255 8.415 9.901 1.00 52.13 H new ATOM 1125 N LYS A 70 -1.650 7.010 7.862 1.00 21.12 N ATOM 1126 CA LYS A 70 -3.035 6.783 7.392 1.00 30.30 C ATOM 1127 C LYS A 70 -3.065 5.807 6.198 1.00 60.43 C ATOM 1128 O LYS A 70 -4.018 5.047 6.024 1.00 55.32 O ATOM 1129 CB LYS A 70 -3.765 8.121 7.056 1.00 75.12 C ATOM 1130 CG LYS A 70 -3.196 8.931 5.866 1.00 24.12 C ATOM 1131 CD LYS A 70 -3.996 10.236 5.590 1.00 60.13 C ATOM 1132 CE LYS A 70 -3.382 11.091 4.467 1.00 74.44 C ATOM 1133 NZ LYS A 70 -4.241 12.257 4.093 1.00 32.15 N ATOM 0 H LYS A 70 -1.262 7.918 7.608 1.00 21.12 H new ATOM 0 HA LYS A 70 -3.583 6.321 8.213 1.00 30.30 H new ATOM 0 HB2 LYS A 70 -4.811 7.897 6.849 1.00 75.12 H new ATOM 0 HB3 LYS A 70 -3.744 8.755 7.943 1.00 75.12 H new ATOM 0 HG2 LYS A 70 -2.155 9.184 6.069 1.00 24.12 H new ATOM 0 HG3 LYS A 70 -3.204 8.309 4.971 1.00 24.12 H new ATOM 0 HD2 LYS A 70 -5.021 9.978 5.324 1.00 60.13 H new ATOM 0 HD3 LYS A 70 -4.043 10.827 6.505 1.00 60.13 H new ATOM 0 HE2 LYS A 70 -2.404 11.453 4.785 1.00 74.44 H new ATOM 0 HE3 LYS A 70 -3.221 10.467 3.588 1.00 74.44 H new ATOM 0 HZ1 LYS A 70 -3.638 13.060 3.823 1.00 32.15 H new ATOM 0 HZ2 LYS A 70 -4.850 11.996 3.291 1.00 32.15 H new ATOM 0 HZ3 LYS A 70 -4.833 12.526 4.904 1.00 32.15 H new ATOM 1147 N PHE A 71 -1.989 5.814 5.396 1.00 75.21 N ATOM 1148 CA PHE A 71 -1.848 4.907 4.235 1.00 20.32 C ATOM 1149 C PHE A 71 -1.309 3.530 4.649 1.00 54.10 C ATOM 1150 O PHE A 71 -1.374 2.570 3.869 1.00 11.52 O ATOM 1151 CB PHE A 71 -0.976 5.548 3.148 1.00 53.05 C ATOM 1152 CG PHE A 71 -1.556 6.833 2.537 1.00 13.04 C ATOM 1153 CD1 PHE A 71 -2.880 7.240 2.710 1.00 1.32 C ATOM 1154 CD2 PHE A 71 -0.751 7.617 1.764 1.00 20.14 C ATOM 1155 CE1 PHE A 71 -3.352 8.396 2.122 1.00 25.51 C ATOM 1156 CE2 PHE A 71 -1.211 8.779 1.177 1.00 32.25 C ATOM 1157 CZ PHE A 71 -2.513 9.171 1.354 1.00 2.34 C ATOM 0 H PHE A 71 -1.196 6.441 5.528 1.00 75.21 H new ATOM 0 HA PHE A 71 -2.842 4.745 3.818 1.00 20.32 H new ATOM 0 HB2 PHE A 71 0.003 5.773 3.572 1.00 53.05 H new ATOM 0 HB3 PHE A 71 -0.819 4.821 2.351 1.00 53.05 H new ATOM 0 HD1 PHE A 71 -3.546 6.641 3.314 1.00 1.32 H new ATOM 0 HD2 PHE A 71 0.275 7.320 1.607 1.00 20.14 H new ATOM 0 HE1 PHE A 71 -4.381 8.693 2.265 1.00 25.51 H new ATOM 0 HE2 PHE A 71 -0.544 9.380 0.577 1.00 32.25 H new ATOM 0 HZ PHE A 71 -2.876 10.079 0.895 1.00 2.34 H new ATOM 1167 N ALA A 72 -0.744 3.453 5.869 1.00 13.42 N ATOM 1168 CA ALA A 72 -0.451 2.174 6.533 1.00 25.10 C ATOM 1169 C ALA A 72 -1.736 1.360 6.663 1.00 23.00 C ATOM 1170 O ALA A 72 -1.777 0.186 6.292 1.00 44.54 O ATOM 1171 CB ALA A 72 0.181 2.415 7.908 1.00 1.14 C ATOM 0 H ALA A 72 -0.480 4.272 6.417 1.00 13.42 H new ATOM 0 HA ALA A 72 0.263 1.613 5.930 1.00 25.10 H new ATOM 0 HB1 ALA A 72 0.391 1.458 8.385 1.00 1.14 H new ATOM 0 HB2 ALA A 72 1.110 2.973 7.789 1.00 1.14 H new ATOM 0 HB3 ALA A 72 -0.508 2.987 8.530 1.00 1.14 H new ATOM 1177 N ALA A 73 -2.799 2.040 7.136 1.00 34.24 N ATOM 1178 CA ALA A 73 -4.136 1.451 7.270 1.00 3.03 C ATOM 1179 C ALA A 73 -4.674 0.937 5.914 1.00 34.43 C ATOM 1180 O ALA A 73 -5.278 -0.130 5.862 1.00 51.20 O ATOM 1181 CB ALA A 73 -5.103 2.464 7.894 1.00 1.52 C ATOM 0 H ALA A 73 -2.749 3.014 7.435 1.00 34.24 H new ATOM 0 HA ALA A 73 -4.057 0.589 7.933 1.00 3.03 H new ATOM 0 HB1 ALA A 73 -6.091 2.014 7.988 1.00 1.52 H new ATOM 0 HB2 ALA A 73 -4.741 2.753 8.881 1.00 1.52 H new ATOM 0 HB3 ALA A 73 -5.165 3.347 7.258 1.00 1.52 H new ATOM 1187 N ILE A 74 -4.399 1.687 4.818 1.00 63.50 N ATOM 1188 CA ILE A 74 -4.776 1.288 3.436 1.00 65.14 C ATOM 1189 C ILE A 74 -4.169 -0.085 3.071 1.00 45.05 C ATOM 1190 O ILE A 74 -4.833 -0.920 2.453 1.00 12.35 O ATOM 1191 CB ILE A 74 -4.363 2.402 2.383 1.00 42.11 C ATOM 1192 CG1 ILE A 74 -5.171 3.705 2.655 1.00 52.43 C ATOM 1193 CG2 ILE A 74 -4.562 1.930 0.922 1.00 32.03 C ATOM 1194 CD1 ILE A 74 -4.916 4.830 1.667 1.00 51.21 C ATOM 0 H ILE A 74 -3.912 2.582 4.865 1.00 63.50 H new ATOM 0 HA ILE A 74 -5.861 1.191 3.400 1.00 65.14 H new ATOM 0 HB ILE A 74 -3.299 2.601 2.507 1.00 42.11 H new ATOM 0 HG12 ILE A 74 -6.234 3.465 2.645 1.00 52.43 H new ATOM 0 HG13 ILE A 74 -4.934 4.060 3.658 1.00 52.43 H new ATOM 0 HG21 ILE A 74 -4.266 2.726 0.239 1.00 32.03 H new ATOM 0 HG22 ILE A 74 -3.949 1.048 0.738 1.00 32.03 H new ATOM 0 HG23 ILE A 74 -5.611 1.684 0.759 1.00 32.03 H new ATOM 0 HD11 ILE A 74 -5.522 5.695 1.936 1.00 51.21 H new ATOM 0 HD12 ILE A 74 -3.861 5.104 1.692 1.00 51.21 H new ATOM 0 HD13 ILE A 74 -5.182 4.500 0.663 1.00 51.21 H new ATOM 1206 N LEU A 75 -2.929 -0.331 3.523 1.00 13.41 N ATOM 1207 CA LEU A 75 -2.236 -1.607 3.271 1.00 1.42 C ATOM 1208 C LEU A 75 -2.788 -2.735 4.164 1.00 70.22 C ATOM 1209 O LEU A 75 -3.061 -3.829 3.683 1.00 63.20 O ATOM 1210 CB LEU A 75 -0.704 -1.423 3.456 1.00 23.41 C ATOM 1211 CG LEU A 75 -0.031 -0.478 2.412 1.00 14.24 C ATOM 1212 CD1 LEU A 75 1.481 -0.304 2.677 1.00 71.21 C ATOM 1213 CD2 LEU A 75 -0.297 -0.990 0.982 1.00 53.22 C ATOM 0 H LEU A 75 -2.384 0.338 4.066 1.00 13.41 H new ATOM 0 HA LEU A 75 -2.423 -1.906 2.240 1.00 1.42 H new ATOM 0 HB2 LEU A 75 -0.517 -1.030 4.455 1.00 23.41 H new ATOM 0 HB3 LEU A 75 -0.225 -2.401 3.403 1.00 23.41 H new ATOM 0 HG LEU A 75 -0.480 0.510 2.516 1.00 14.24 H new ATOM 0 HD11 LEU A 75 1.908 0.361 1.926 1.00 71.21 H new ATOM 0 HD12 LEU A 75 1.630 0.124 3.668 1.00 71.21 H new ATOM 0 HD13 LEU A 75 1.974 -1.275 2.624 1.00 71.21 H new ATOM 0 HD21 LEU A 75 0.177 -0.323 0.262 1.00 53.22 H new ATOM 0 HD22 LEU A 75 0.114 -1.993 0.872 1.00 53.22 H new ATOM 0 HD23 LEU A 75 -1.371 -1.016 0.799 1.00 53.22 H new ATOM 1225 N ILE A 76 -3.003 -2.435 5.449 1.00 23.40 N ATOM 1226 CA ILE A 76 -3.449 -3.431 6.451 1.00 30.32 C ATOM 1227 C ILE A 76 -4.882 -3.933 6.133 1.00 41.22 C ATOM 1228 O ILE A 76 -5.167 -5.132 6.229 1.00 50.12 O ATOM 1229 CB ILE A 76 -3.390 -2.811 7.902 1.00 24.53 C ATOM 1230 CG1 ILE A 76 -1.954 -2.273 8.209 1.00 60.13 C ATOM 1231 CG2 ILE A 76 -3.828 -3.839 8.971 1.00 33.11 C ATOM 1232 CD1 ILE A 76 -1.831 -1.376 9.429 1.00 55.23 C ATOM 0 H ILE A 76 -2.875 -1.498 5.832 1.00 23.40 H new ATOM 0 HA ILE A 76 -2.774 -4.286 6.408 1.00 30.32 H new ATOM 0 HB ILE A 76 -4.090 -1.976 7.939 1.00 24.53 H new ATOM 0 HG12 ILE A 76 -1.287 -3.125 8.339 1.00 60.13 H new ATOM 0 HG13 ILE A 76 -1.599 -1.721 7.338 1.00 60.13 H new ATOM 0 HG21 ILE A 76 -3.776 -3.381 9.959 1.00 33.11 H new ATOM 0 HG22 ILE A 76 -4.851 -4.157 8.772 1.00 33.11 H new ATOM 0 HG23 ILE A 76 -3.166 -4.704 8.937 1.00 33.11 H new ATOM 0 HD11 ILE A 76 -0.794 -1.062 9.547 1.00 55.23 H new ATOM 0 HD12 ILE A 76 -2.464 -0.498 9.300 1.00 55.23 H new ATOM 0 HD13 ILE A 76 -2.147 -1.924 10.317 1.00 55.23 H new ATOM 1244 N LYS A 77 -5.753 -2.997 5.706 1.00 20.05 N ATOM 1245 CA LYS A 77 -7.171 -3.284 5.398 1.00 62.42 C ATOM 1246 C LYS A 77 -7.311 -4.252 4.197 1.00 71.52 C ATOM 1247 O LYS A 77 -8.216 -5.081 4.173 1.00 60.11 O ATOM 1248 CB LYS A 77 -7.957 -1.949 5.130 1.00 44.41 C ATOM 1249 CG LYS A 77 -8.766 -1.348 6.327 1.00 14.01 C ATOM 1250 CD LYS A 77 -7.944 -0.603 7.422 1.00 70.42 C ATOM 1251 CE LYS A 77 -7.248 -1.530 8.432 1.00 3.21 C ATOM 1252 NZ LYS A 77 -8.225 -2.263 9.285 1.00 14.11 N ATOM 0 H LYS A 77 -5.495 -2.020 5.565 1.00 20.05 H new ATOM 0 HA LYS A 77 -7.605 -3.777 6.268 1.00 62.42 H new ATOM 0 HB2 LYS A 77 -7.243 -1.198 4.792 1.00 44.41 H new ATOM 0 HB3 LYS A 77 -8.650 -2.123 4.307 1.00 44.41 H new ATOM 0 HG2 LYS A 77 -9.504 -0.654 5.925 1.00 14.01 H new ATOM 0 HG3 LYS A 77 -9.317 -2.157 6.806 1.00 14.01 H new ATOM 0 HD2 LYS A 77 -7.190 0.016 6.935 1.00 70.42 H new ATOM 0 HD3 LYS A 77 -8.609 0.071 7.963 1.00 70.42 H new ATOM 0 HE2 LYS A 77 -6.626 -2.247 7.896 1.00 3.21 H new ATOM 0 HE3 LYS A 77 -6.584 -0.942 9.065 1.00 3.21 H new ATOM 0 HZ1 LYS A 77 -7.722 -2.729 10.067 1.00 14.11 H new ATOM 0 HZ2 LYS A 77 -8.921 -1.593 9.671 1.00 14.11 H new ATOM 0 HZ3 LYS A 77 -8.715 -2.980 8.713 1.00 14.11 H new ATOM 1266 N VAL A 78 -6.411 -4.129 3.214 1.00 45.24 N ATOM 1267 CA VAL A 78 -6.425 -4.954 1.988 1.00 4.10 C ATOM 1268 C VAL A 78 -5.793 -6.340 2.233 1.00 15.42 C ATOM 1269 O VAL A 78 -6.374 -7.375 1.893 1.00 34.23 O ATOM 1270 CB VAL A 78 -5.654 -4.197 0.846 1.00 3.14 C ATOM 1271 CG1 VAL A 78 -5.485 -5.051 -0.425 1.00 4.53 C ATOM 1272 CG2 VAL A 78 -6.334 -2.850 0.524 1.00 30.32 C ATOM 0 H VAL A 78 -5.647 -3.453 3.241 1.00 45.24 H new ATOM 0 HA VAL A 78 -7.461 -5.115 1.690 1.00 4.10 H new ATOM 0 HB VAL A 78 -4.650 -3.998 1.222 1.00 3.14 H new ATOM 0 HG11 VAL A 78 -4.946 -4.478 -1.179 1.00 4.53 H new ATOM 0 HG12 VAL A 78 -4.923 -5.954 -0.185 1.00 4.53 H new ATOM 0 HG13 VAL A 78 -6.466 -5.327 -0.811 1.00 4.53 H new ATOM 0 HG21 VAL A 78 -5.783 -2.344 -0.269 1.00 30.32 H new ATOM 0 HG22 VAL A 78 -7.358 -3.029 0.197 1.00 30.32 H new ATOM 0 HG23 VAL A 78 -6.342 -2.224 1.416 1.00 30.32 H new ATOM 1282 N TYR A 79 -4.596 -6.335 2.831 1.00 45.44 N ATOM 1283 CA TYR A 79 -3.728 -7.510 2.938 1.00 65.33 C ATOM 1284 C TYR A 79 -4.211 -8.497 4.006 1.00 14.04 C ATOM 1285 O TYR A 79 -4.069 -9.711 3.823 1.00 34.55 O ATOM 1286 CB TYR A 79 -2.279 -7.030 3.213 1.00 34.53 C ATOM 1287 CG TYR A 79 -1.621 -6.297 2.017 1.00 41.22 C ATOM 1288 CD1 TYR A 79 -2.307 -5.369 1.240 1.00 24.40 C ATOM 1289 CD2 TYR A 79 -0.318 -6.551 1.671 1.00 10.34 C ATOM 1290 CE1 TYR A 79 -1.723 -4.739 0.175 1.00 54.21 C ATOM 1291 CE2 TYR A 79 0.287 -5.919 0.602 1.00 34.24 C ATOM 1292 CZ TYR A 79 -0.432 -5.011 -0.147 1.00 22.14 C ATOM 1293 OH TYR A 79 0.139 -4.385 -1.224 1.00 23.12 O ATOM 0 H TYR A 79 -4.198 -5.500 3.261 1.00 45.44 H new ATOM 0 HA TYR A 79 -3.759 -8.059 1.997 1.00 65.33 H new ATOM 0 HB2 TYR A 79 -2.285 -6.364 4.076 1.00 34.53 H new ATOM 0 HB3 TYR A 79 -1.666 -7.891 3.480 1.00 34.53 H new ATOM 0 HD1 TYR A 79 -3.333 -5.139 1.485 1.00 24.40 H new ATOM 0 HD2 TYR A 79 0.250 -7.264 2.250 1.00 10.34 H new ATOM 0 HE1 TYR A 79 -2.288 -4.027 -0.408 1.00 54.21 H new ATOM 0 HE2 TYR A 79 1.316 -6.134 0.354 1.00 34.24 H new ATOM 0 HH TYR A 79 -0.270 -3.502 -1.344 1.00 23.12 H new ATOM 1303 N ALA A 80 -4.816 -7.984 5.096 1.00 22.33 N ATOM 1304 CA ALA A 80 -5.362 -8.845 6.169 1.00 12.42 C ATOM 1305 C ALA A 80 -6.572 -9.677 5.670 1.00 21.34 C ATOM 1306 O ALA A 80 -6.888 -10.717 6.252 1.00 42.24 O ATOM 1307 CB ALA A 80 -5.728 -8.010 7.401 1.00 14.12 C ATOM 0 H ALA A 80 -4.939 -6.985 5.258 1.00 22.33 H new ATOM 0 HA ALA A 80 -4.584 -9.551 6.460 1.00 12.42 H new ATOM 0 HB1 ALA A 80 -6.127 -8.663 8.177 1.00 14.12 H new ATOM 0 HB2 ALA A 80 -4.838 -7.504 7.775 1.00 14.12 H new ATOM 0 HB3 ALA A 80 -6.479 -7.269 7.128 1.00 14.12 H new ATOM 1313 N GLU A 81 -7.223 -9.211 4.574 1.00 74.50 N ATOM 1314 CA GLU A 81 -8.289 -9.969 3.866 1.00 24.22 C ATOM 1315 C GLU A 81 -7.712 -11.238 3.209 1.00 32.11 C ATOM 1316 O GLU A 81 -8.359 -12.285 3.163 1.00 12.22 O ATOM 1317 CB GLU A 81 -8.959 -9.090 2.773 1.00 23.03 C ATOM 1318 CG GLU A 81 -9.698 -7.855 3.310 1.00 61.25 C ATOM 1319 CD GLU A 81 -10.371 -7.038 2.200 1.00 32.41 C ATOM 1320 OE1 GLU A 81 -11.501 -7.389 1.787 1.00 54.22 O ATOM 1321 OE2 GLU A 81 -9.773 -6.053 1.708 1.00 5.24 O ATOM 0 H GLU A 81 -7.025 -8.302 4.156 1.00 74.50 H new ATOM 0 HA GLU A 81 -9.037 -10.254 4.606 1.00 24.22 H new ATOM 0 HB2 GLU A 81 -8.194 -8.762 2.070 1.00 23.03 H new ATOM 0 HB3 GLU A 81 -9.664 -9.704 2.213 1.00 23.03 H new ATOM 0 HG2 GLU A 81 -10.452 -8.173 4.030 1.00 61.25 H new ATOM 0 HG3 GLU A 81 -8.993 -7.220 3.846 1.00 61.25 H new ATOM 1328 N LEU A 82 -6.484 -11.104 2.693 1.00 53.04 N ATOM 1329 CA LEU A 82 -5.733 -12.214 2.079 1.00 73.34 C ATOM 1330 C LEU A 82 -5.120 -13.111 3.161 1.00 1.34 C ATOM 1331 O LEU A 82 -4.813 -14.278 2.913 1.00 43.13 O ATOM 1332 CB LEU A 82 -4.628 -11.645 1.144 1.00 55.40 C ATOM 1333 CG LEU A 82 -5.148 -10.718 0.007 1.00 60.22 C ATOM 1334 CD1 LEU A 82 -3.997 -10.191 -0.873 1.00 14.42 C ATOM 1335 CD2 LEU A 82 -6.212 -11.441 -0.837 1.00 24.44 C ATOM 0 H LEU A 82 -5.978 -10.219 2.688 1.00 53.04 H new ATOM 0 HA LEU A 82 -6.417 -12.822 1.486 1.00 73.34 H new ATOM 0 HB2 LEU A 82 -3.912 -11.088 1.748 1.00 55.40 H new ATOM 0 HB3 LEU A 82 -4.087 -12.478 0.695 1.00 55.40 H new ATOM 0 HG LEU A 82 -5.615 -9.850 0.473 1.00 60.22 H new ATOM 0 HD11 LEU A 82 -4.402 -9.548 -1.655 1.00 14.42 H new ATOM 0 HD12 LEU A 82 -3.301 -9.621 -0.258 1.00 14.42 H new ATOM 0 HD13 LEU A 82 -3.474 -11.031 -1.329 1.00 14.42 H new ATOM 0 HD21 LEU A 82 -6.563 -10.777 -1.627 1.00 24.44 H new ATOM 0 HD22 LEU A 82 -5.777 -12.336 -1.282 1.00 24.44 H new ATOM 0 HD23 LEU A 82 -7.051 -11.724 -0.201 1.00 24.44 H new ATOM 1347 N GLY A 83 -4.943 -12.532 4.353 1.00 13.34 N ATOM 1348 CA GLY A 83 -4.385 -13.230 5.506 1.00 40.45 C ATOM 1349 C GLY A 83 -3.322 -12.397 6.208 1.00 74.14 C ATOM 1350 O GLY A 83 -2.877 -11.379 5.667 1.00 31.33 O ATOM 0 H GLY A 83 -5.186 -11.559 4.542 1.00 13.34 H new ATOM 0 HA2 GLY A 83 -5.184 -13.468 6.209 1.00 40.45 H new ATOM 0 HA3 GLY A 83 -3.951 -14.177 5.184 1.00 40.45 H new ATOM 1354 N TYR A 84 -2.920 -12.847 7.414 1.00 72.23 N ATOM 1355 CA TYR A 84 -1.868 -12.195 8.219 1.00 41.35 C ATOM 1356 C TYR A 84 -2.290 -10.774 8.654 1.00 35.25 C ATOM 1357 O TYR A 84 -1.997 -9.788 7.973 1.00 61.13 O ATOM 1358 CB TYR A 84 -0.485 -12.182 7.481 1.00 71.45 C ATOM 1359 CG TYR A 84 0.119 -13.580 7.248 1.00 45.23 C ATOM 1360 CD1 TYR A 84 -0.475 -14.480 6.357 1.00 14.23 C ATOM 1361 CD2 TYR A 84 1.256 -14.014 7.938 1.00 71.44 C ATOM 1362 CE1 TYR A 84 0.037 -15.743 6.160 1.00 72.33 C ATOM 1363 CE2 TYR A 84 1.769 -15.287 7.743 1.00 63.11 C ATOM 1364 CZ TYR A 84 1.154 -16.146 6.856 1.00 41.13 C ATOM 1365 OH TYR A 84 1.656 -17.420 6.666 1.00 33.11 O ATOM 0 H TYR A 84 -3.317 -13.675 7.858 1.00 72.23 H new ATOM 0 HA TYR A 84 -1.741 -12.793 9.121 1.00 41.35 H new ATOM 0 HB2 TYR A 84 -0.604 -11.685 6.518 1.00 71.45 H new ATOM 0 HB3 TYR A 84 0.219 -11.587 8.062 1.00 71.45 H new ATOM 0 HD1 TYR A 84 -1.356 -14.177 5.811 1.00 14.23 H new ATOM 0 HD2 TYR A 84 1.742 -13.346 8.634 1.00 71.44 H new ATOM 0 HE1 TYR A 84 -0.437 -16.416 5.461 1.00 72.33 H new ATOM 0 HE2 TYR A 84 2.648 -15.605 8.284 1.00 63.11 H new ATOM 0 HH TYR A 84 2.447 -17.547 7.230 1.00 33.11 H new ATOM 1375 N ASN A 85 -3.023 -10.694 9.777 1.00 72.11 N ATOM 1376 CA ASN A 85 -3.344 -9.406 10.431 1.00 0.23 C ATOM 1377 C ASN A 85 -2.074 -8.829 11.082 1.00 30.41 C ATOM 1378 O ASN A 85 -1.998 -7.632 11.377 1.00 15.22 O ATOM 1379 CB ASN A 85 -4.455 -9.578 11.490 1.00 51.00 C ATOM 1380 CG ASN A 85 -5.738 -10.199 10.929 1.00 32.13 C ATOM 1381 OD1 ASN A 85 -6.616 -9.498 10.430 1.00 35.12 O ATOM 1382 ND2 ASN A 85 -5.865 -11.521 11.015 1.00 55.54 N ATOM 0 H ASN A 85 -3.408 -11.508 10.256 1.00 72.11 H new ATOM 0 HA ASN A 85 -3.711 -8.715 9.672 1.00 0.23 H new ATOM 0 HB2 ASN A 85 -4.081 -10.204 12.300 1.00 51.00 H new ATOM 0 HB3 ASN A 85 -4.689 -8.605 11.921 1.00 51.00 H new ATOM 0 HD21 ASN A 85 -6.707 -11.977 10.662 1.00 55.54 H new ATOM 0 HD22 ASN A 85 -5.121 -12.079 11.434 1.00 55.54 H new ATOM 1389 N ASP A 86 -1.100 -9.725 11.329 1.00 62.32 N ATOM 1390 CA ASP A 86 0.263 -9.370 11.735 1.00 12.05 C ATOM 1391 C ASP A 86 0.942 -8.641 10.567 1.00 0.33 C ATOM 1392 O ASP A 86 1.597 -9.265 9.736 1.00 61.33 O ATOM 1393 CB ASP A 86 1.090 -10.641 12.114 1.00 21.10 C ATOM 1394 CG ASP A 86 0.382 -11.576 13.106 1.00 41.31 C ATOM 1395 OD1 ASP A 86 -0.597 -12.227 12.699 1.00 4.13 O ATOM 1396 OD2 ASP A 86 0.789 -11.668 14.284 1.00 65.24 O ATOM 0 H ASP A 86 -1.246 -10.731 11.249 1.00 62.32 H new ATOM 0 HA ASP A 86 0.217 -8.728 12.615 1.00 12.05 H new ATOM 0 HB2 ASP A 86 1.317 -11.198 11.205 1.00 21.10 H new ATOM 0 HB3 ASP A 86 2.042 -10.328 12.542 1.00 21.10 H new ATOM 1401 N ILE A 87 0.700 -7.334 10.458 1.00 2.34 N ATOM 1402 CA ILE A 87 1.301 -6.495 9.412 1.00 73.23 C ATOM 1403 C ILE A 87 2.457 -5.697 10.021 1.00 12.53 C ATOM 1404 O ILE A 87 2.259 -4.986 11.012 1.00 74.44 O ATOM 1405 CB ILE A 87 0.226 -5.523 8.784 1.00 3.32 C ATOM 1406 CG1 ILE A 87 -0.927 -6.324 8.082 1.00 44.25 C ATOM 1407 CG2 ILE A 87 0.876 -4.509 7.809 1.00 53.55 C ATOM 1408 CD1 ILE A 87 -0.516 -7.121 6.848 1.00 41.33 C ATOM 0 H ILE A 87 0.083 -6.824 11.090 1.00 2.34 H new ATOM 0 HA ILE A 87 1.677 -7.131 8.611 1.00 73.23 H new ATOM 0 HB ILE A 87 -0.215 -4.954 9.603 1.00 3.32 H new ATOM 0 HG12 ILE A 87 -1.363 -7.010 8.808 1.00 44.25 H new ATOM 0 HG13 ILE A 87 -1.711 -5.623 7.796 1.00 44.25 H new ATOM 0 HG21 ILE A 87 0.107 -3.857 7.396 1.00 53.55 H new ATOM 0 HG22 ILE A 87 1.611 -3.909 8.345 1.00 53.55 H new ATOM 0 HG23 ILE A 87 1.368 -5.047 6.999 1.00 53.55 H new ATOM 0 HD11 ILE A 87 -1.386 -7.636 6.441 1.00 41.33 H new ATOM 0 HD12 ILE A 87 -0.110 -6.444 6.096 1.00 41.33 H new ATOM 0 HD13 ILE A 87 0.243 -7.853 7.124 1.00 41.33 H new ATOM 1420 N ASN A 88 3.663 -5.818 9.448 1.00 31.50 N ATOM 1421 CA ASN A 88 4.816 -5.030 9.900 1.00 61.53 C ATOM 1422 C ASN A 88 4.813 -3.703 9.141 1.00 72.45 C ATOM 1423 O ASN A 88 5.099 -3.663 7.941 1.00 4.12 O ATOM 1424 CB ASN A 88 6.136 -5.805 9.667 1.00 52.13 C ATOM 1425 CG ASN A 88 7.391 -5.001 10.039 1.00 73.23 C ATOM 1426 OD1 ASN A 88 7.992 -4.335 9.193 1.00 44.01 O ATOM 1427 ND2 ASN A 88 7.789 -5.051 11.302 1.00 72.24 N ATOM 0 H ASN A 88 3.864 -6.451 8.674 1.00 31.50 H new ATOM 0 HA ASN A 88 4.743 -4.840 10.971 1.00 61.53 H new ATOM 0 HB2 ASN A 88 6.116 -6.725 10.252 1.00 52.13 H new ATOM 0 HB3 ASN A 88 6.198 -6.095 8.618 1.00 52.13 H new ATOM 0 HD21 ASN A 88 8.614 -4.529 11.598 1.00 72.24 H new ATOM 0 HD22 ASN A 88 7.270 -5.611 11.978 1.00 72.24 H new ATOM 1434 N VAL A 89 4.448 -2.631 9.845 1.00 31.23 N ATOM 1435 CA VAL A 89 4.441 -1.273 9.303 1.00 64.13 C ATOM 1436 C VAL A 89 5.743 -0.553 9.696 1.00 32.40 C ATOM 1437 O VAL A 89 6.149 -0.557 10.866 1.00 21.51 O ATOM 1438 CB VAL A 89 3.175 -0.466 9.782 1.00 72.44 C ATOM 1439 CG1 VAL A 89 3.047 -0.425 11.319 1.00 30.41 C ATOM 1440 CG2 VAL A 89 3.176 0.951 9.178 1.00 41.32 C ATOM 0 H VAL A 89 4.146 -2.682 10.818 1.00 31.23 H new ATOM 0 HA VAL A 89 4.385 -1.333 8.216 1.00 64.13 H new ATOM 0 HB VAL A 89 2.296 -0.996 9.416 1.00 72.44 H new ATOM 0 HG11 VAL A 89 2.159 0.143 11.595 1.00 30.41 H new ATOM 0 HG12 VAL A 89 2.962 -1.441 11.704 1.00 30.41 H new ATOM 0 HG13 VAL A 89 3.930 0.052 11.745 1.00 30.41 H new ATOM 0 HG21 VAL A 89 2.294 1.493 9.520 1.00 41.32 H new ATOM 0 HG22 VAL A 89 4.074 1.481 9.496 1.00 41.32 H new ATOM 0 HG23 VAL A 89 3.161 0.883 8.090 1.00 41.32 H new ATOM 1450 N THR A 90 6.406 0.018 8.697 1.00 34.53 N ATOM 1451 CA THR A 90 7.651 0.777 8.848 1.00 71.13 C ATOM 1452 C THR A 90 7.553 2.029 7.963 1.00 53.50 C ATOM 1453 O THR A 90 6.776 2.056 7.002 1.00 23.03 O ATOM 1454 CB THR A 90 8.899 -0.085 8.446 1.00 54.35 C ATOM 1455 OG1 THR A 90 8.679 -0.686 7.157 1.00 64.21 O ATOM 1456 CG2 THR A 90 9.212 -1.197 9.465 1.00 42.52 C ATOM 0 H THR A 90 6.086 -0.033 7.730 1.00 34.53 H new ATOM 0 HA THR A 90 7.783 1.059 9.893 1.00 71.13 H new ATOM 0 HB THR A 90 9.753 0.592 8.421 1.00 54.35 H new ATOM 0 HG1 THR A 90 7.796 -0.425 6.821 1.00 64.21 H new ATOM 0 HG21 THR A 90 10.085 -1.759 9.133 1.00 42.52 H new ATOM 0 HG22 THR A 90 9.416 -0.751 10.439 1.00 42.52 H new ATOM 0 HG23 THR A 90 8.357 -1.868 9.545 1.00 42.52 H new ATOM 1464 N TRP A 91 8.310 3.080 8.307 1.00 53.02 N ATOM 1465 CA TRP A 91 8.270 4.366 7.591 1.00 70.34 C ATOM 1466 C TRP A 91 9.692 4.748 7.153 1.00 62.12 C ATOM 1467 O TRP A 91 10.533 5.096 7.986 1.00 1.04 O ATOM 1468 CB TRP A 91 7.603 5.444 8.491 1.00 61.02 C ATOM 1469 CG TRP A 91 6.171 5.090 8.869 1.00 3.23 C ATOM 1470 CD1 TRP A 91 5.080 5.115 8.053 1.00 0.30 C ATOM 1471 CD2 TRP A 91 5.691 4.609 10.137 1.00 71.14 C ATOM 1472 NE1 TRP A 91 3.955 4.734 8.738 1.00 34.32 N ATOM 1473 CE2 TRP A 91 4.303 4.415 10.017 1.00 23.11 C ATOM 1474 CE3 TRP A 91 6.297 4.343 11.363 1.00 24.24 C ATOM 1475 CZ2 TRP A 91 3.515 3.967 11.072 1.00 24.42 C ATOM 1476 CZ3 TRP A 91 5.519 3.891 12.409 1.00 33.13 C ATOM 1477 CH2 TRP A 91 4.140 3.707 12.258 1.00 44.41 C ATOM 0 H TRP A 91 8.967 3.065 9.087 1.00 53.02 H new ATOM 0 HA TRP A 91 7.664 4.287 6.688 1.00 70.34 H new ATOM 0 HB2 TRP A 91 8.193 5.570 9.399 1.00 61.02 H new ATOM 0 HB3 TRP A 91 7.611 6.402 7.970 1.00 61.02 H new ATOM 0 HD1 TRP A 91 5.099 5.396 7.010 1.00 0.30 H new ATOM 0 HE1 TRP A 91 3.011 4.695 8.353 1.00 34.32 H new ATOM 0 HE3 TRP A 91 7.359 4.488 11.493 1.00 24.24 H new ATOM 0 HZ2 TRP A 91 2.450 3.830 10.958 1.00 24.42 H new ATOM 0 HZ3 TRP A 91 5.982 3.676 13.361 1.00 33.13 H new ATOM 0 HH2 TRP A 91 3.558 3.352 13.096 1.00 44.41 H new ATOM 1488 N ASP A 92 9.956 4.619 5.842 1.00 35.11 N ATOM 1489 CA ASP A 92 11.283 4.840 5.241 1.00 31.04 C ATOM 1490 C ASP A 92 11.254 6.115 4.372 1.00 13.10 C ATOM 1491 O ASP A 92 10.873 6.067 3.203 1.00 72.22 O ATOM 1492 CB ASP A 92 11.667 3.572 4.416 1.00 24.42 C ATOM 1493 CG ASP A 92 13.111 3.590 3.873 1.00 64.03 C ATOM 1494 OD1 ASP A 92 14.055 3.272 4.631 1.00 30.23 O ATOM 1495 OD2 ASP A 92 13.315 3.925 2.689 1.00 15.44 O ATOM 0 H ASP A 92 9.245 4.355 5.160 1.00 35.11 H new ATOM 0 HA ASP A 92 12.040 4.993 6.010 1.00 31.04 H new ATOM 0 HB2 ASP A 92 11.537 2.690 5.043 1.00 24.42 H new ATOM 0 HB3 ASP A 92 10.976 3.473 3.579 1.00 24.42 H new ATOM 1500 N GLY A 93 11.588 7.261 4.994 1.00 30.03 N ATOM 1501 CA GLY A 93 11.641 8.566 4.307 1.00 51.34 C ATOM 1502 C GLY A 93 10.260 9.157 4.027 1.00 23.55 C ATOM 1503 O GLY A 93 9.962 9.534 2.890 1.00 75.34 O ATOM 0 H GLY A 93 11.828 7.309 5.984 1.00 30.03 H new ATOM 0 HA2 GLY A 93 12.212 9.267 4.916 1.00 51.34 H new ATOM 0 HA3 GLY A 93 12.178 8.452 3.365 1.00 51.34 H new ATOM 1507 N ASP A 94 9.414 9.176 5.085 1.00 33.12 N ATOM 1508 CA ASP A 94 7.985 9.618 5.036 1.00 42.30 C ATOM 1509 C ASP A 94 7.092 8.697 4.170 1.00 73.45 C ATOM 1510 O ASP A 94 5.901 8.945 4.024 1.00 15.10 O ATOM 1511 CB ASP A 94 7.840 11.111 4.584 1.00 33.31 C ATOM 1512 CG ASP A 94 8.390 12.117 5.611 1.00 71.31 C ATOM 1513 OD1 ASP A 94 7.793 12.256 6.696 1.00 52.33 O ATOM 1514 OD2 ASP A 94 9.417 12.776 5.346 1.00 4.11 O ATOM 0 H ASP A 94 9.704 8.880 6.017 1.00 33.12 H new ATOM 0 HA ASP A 94 7.626 9.539 6.062 1.00 42.30 H new ATOM 0 HB2 ASP A 94 8.362 11.248 3.637 1.00 33.31 H new ATOM 0 HB3 ASP A 94 6.787 11.327 4.403 1.00 33.31 H new ATOM 1519 N THR A 95 7.672 7.624 3.635 1.00 13.00 N ATOM 1520 CA THR A 95 6.986 6.650 2.791 1.00 31.20 C ATOM 1521 C THR A 95 6.606 5.443 3.659 1.00 43.05 C ATOM 1522 O THR A 95 7.422 5.006 4.476 1.00 43.00 O ATOM 1523 CB THR A 95 7.954 6.232 1.637 1.00 24.10 C ATOM 1524 OG1 THR A 95 8.387 7.412 0.930 1.00 12.21 O ATOM 1525 CG2 THR A 95 7.310 5.265 0.645 1.00 63.43 C ATOM 0 H THR A 95 8.657 7.403 3.781 1.00 13.00 H new ATOM 0 HA THR A 95 6.079 7.067 2.354 1.00 31.20 H new ATOM 0 HB THR A 95 8.798 5.716 2.094 1.00 24.10 H new ATOM 0 HG1 THR A 95 8.996 7.155 0.206 1.00 12.21 H new ATOM 0 HG21 THR A 95 8.029 5.010 -0.134 1.00 63.43 H new ATOM 0 HG22 THR A 95 7.004 4.358 1.167 1.00 63.43 H new ATOM 0 HG23 THR A 95 6.437 5.736 0.193 1.00 63.43 H new ATOM 1533 N VAL A 96 5.384 4.905 3.511 1.00 11.42 N ATOM 1534 CA VAL A 96 4.947 3.755 4.323 1.00 64.03 C ATOM 1535 C VAL A 96 5.286 2.431 3.605 1.00 64.12 C ATOM 1536 O VAL A 96 4.749 2.122 2.536 1.00 52.41 O ATOM 1537 CB VAL A 96 3.423 3.822 4.707 1.00 72.20 C ATOM 1538 CG1 VAL A 96 2.495 3.993 3.486 1.00 33.43 C ATOM 1539 CG2 VAL A 96 3.022 2.593 5.553 1.00 73.12 C ATOM 0 H VAL A 96 4.688 5.242 2.846 1.00 11.42 H new ATOM 0 HA VAL A 96 5.498 3.797 5.262 1.00 64.03 H new ATOM 0 HB VAL A 96 3.290 4.720 5.310 1.00 72.20 H new ATOM 0 HG11 VAL A 96 1.458 4.032 3.820 1.00 33.43 H new ATOM 0 HG12 VAL A 96 2.744 4.918 2.966 1.00 33.43 H new ATOM 0 HG13 VAL A 96 2.626 3.150 2.808 1.00 33.43 H new ATOM 0 HG21 VAL A 96 1.964 2.657 5.809 1.00 73.12 H new ATOM 0 HG22 VAL A 96 3.202 1.683 4.981 1.00 73.12 H new ATOM 0 HG23 VAL A 96 3.616 2.571 6.467 1.00 73.12 H new ATOM 1549 N THR A 97 6.224 1.688 4.197 1.00 21.13 N ATOM 1550 CA THR A 97 6.681 0.393 3.708 1.00 1.22 C ATOM 1551 C THR A 97 6.139 -0.724 4.627 1.00 64.12 C ATOM 1552 O THR A 97 6.166 -0.598 5.850 1.00 32.25 O ATOM 1553 CB THR A 97 8.251 0.356 3.665 1.00 75.11 C ATOM 1554 OG1 THR A 97 8.748 1.494 2.934 1.00 3.22 O ATOM 1555 CG2 THR A 97 8.795 -0.932 3.019 1.00 54.14 C ATOM 0 H THR A 97 6.697 1.982 5.052 1.00 21.13 H new ATOM 0 HA THR A 97 6.306 0.234 2.697 1.00 1.22 H new ATOM 0 HB THR A 97 8.597 0.382 4.698 1.00 75.11 H new ATOM 0 HG1 THR A 97 9.727 1.466 2.912 1.00 3.22 H new ATOM 0 HG21 THR A 97 9.885 -0.905 3.015 1.00 54.14 H new ATOM 0 HG22 THR A 97 8.455 -1.797 3.589 1.00 54.14 H new ATOM 0 HG23 THR A 97 8.430 -1.007 1.995 1.00 54.14 H new ATOM 1563 N VAL A 98 5.621 -1.796 4.023 1.00 11.30 N ATOM 1564 CA VAL A 98 5.180 -3.014 4.719 1.00 74.35 C ATOM 1565 C VAL A 98 5.887 -4.207 4.076 1.00 62.01 C ATOM 1566 O VAL A 98 5.931 -4.294 2.848 1.00 62.12 O ATOM 1567 CB VAL A 98 3.603 -3.198 4.653 1.00 24.43 C ATOM 1568 CG1 VAL A 98 3.169 -4.630 5.057 1.00 44.25 C ATOM 1569 CG2 VAL A 98 2.880 -2.146 5.533 1.00 23.10 C ATOM 0 H VAL A 98 5.492 -1.846 3.012 1.00 11.30 H new ATOM 0 HA VAL A 98 5.440 -2.937 5.775 1.00 74.35 H new ATOM 0 HB VAL A 98 3.309 -3.043 3.615 1.00 24.43 H new ATOM 0 HG11 VAL A 98 2.084 -4.712 4.998 1.00 44.25 H new ATOM 0 HG12 VAL A 98 3.625 -5.353 4.380 1.00 44.25 H new ATOM 0 HG13 VAL A 98 3.493 -4.834 6.078 1.00 44.25 H new ATOM 0 HG21 VAL A 98 1.802 -2.296 5.468 1.00 23.10 H new ATOM 0 HG22 VAL A 98 3.200 -2.256 6.569 1.00 23.10 H new ATOM 0 HG23 VAL A 98 3.129 -1.145 5.181 1.00 23.10 H new ATOM 1579 N GLU A 99 6.451 -5.099 4.905 1.00 34.13 N ATOM 1580 CA GLU A 99 7.079 -6.346 4.449 1.00 22.11 C ATOM 1581 C GLU A 99 6.869 -7.449 5.501 1.00 73.41 C ATOM 1582 O GLU A 99 6.999 -7.194 6.704 1.00 73.21 O ATOM 1583 CB GLU A 99 8.601 -6.161 4.169 1.00 3.13 C ATOM 1584 CG GLU A 99 9.347 -7.463 3.768 1.00 42.34 C ATOM 1585 CD GLU A 99 8.927 -8.049 2.405 1.00 14.44 C ATOM 1586 OE1 GLU A 99 7.809 -8.595 2.283 1.00 64.55 O ATOM 1587 OE2 GLU A 99 9.724 -7.969 1.448 1.00 63.41 O ATOM 0 H GLU A 99 6.484 -4.973 5.917 1.00 34.13 H new ATOM 0 HA GLU A 99 6.604 -6.635 3.511 1.00 22.11 H new ATOM 0 HB2 GLU A 99 8.724 -5.427 3.372 1.00 3.13 H new ATOM 0 HB3 GLU A 99 9.073 -5.747 5.060 1.00 3.13 H new ATOM 0 HG2 GLU A 99 10.418 -7.261 3.747 1.00 42.34 H new ATOM 0 HG3 GLU A 99 9.179 -8.215 4.539 1.00 42.34 H new ATOM 1594 N GLY A 100 6.554 -8.665 5.017 1.00 41.00 N ATOM 1595 CA GLY A 100 6.403 -9.847 5.861 1.00 53.42 C ATOM 1596 C GLY A 100 5.277 -9.726 6.884 1.00 60.03 C ATOM 1597 O GLY A 100 4.178 -9.247 6.563 1.00 54.12 O ATOM 0 H GLY A 100 6.398 -8.847 4.026 1.00 41.00 H new ATOM 0 HA2 GLY A 100 6.216 -10.714 5.228 1.00 53.42 H new ATOM 0 HA3 GLY A 100 7.341 -10.031 6.385 1.00 53.42 H new ATOM 1601 N GLN A 101 5.563 -10.151 8.123 1.00 12.24 N ATOM 1602 CA GLN A 101 4.619 -10.067 9.250 1.00 42.13 C ATOM 1603 C GLN A 101 5.299 -9.379 10.440 1.00 74.00 C ATOM 1604 O GLN A 101 6.529 -9.263 10.479 1.00 30.14 O ATOM 1605 CB GLN A 101 4.104 -11.484 9.641 1.00 24.34 C ATOM 1606 CG GLN A 101 5.194 -12.479 10.093 1.00 10.32 C ATOM 1607 CD GLN A 101 4.613 -13.798 10.615 1.00 5.23 C ATOM 1608 OE1 GLN A 101 4.352 -13.942 11.811 1.00 12.31 O ATOM 1609 NE2 GLN A 101 4.383 -14.754 9.722 1.00 62.15 N ATOM 0 H GLN A 101 6.461 -10.565 8.374 1.00 12.24 H new ATOM 0 HA GLN A 101 3.755 -9.473 8.950 1.00 42.13 H new ATOM 0 HB2 GLN A 101 3.375 -11.379 10.445 1.00 24.34 H new ATOM 0 HB3 GLN A 101 3.578 -11.910 8.787 1.00 24.34 H new ATOM 0 HG2 GLN A 101 5.860 -12.687 9.256 1.00 10.32 H new ATOM 0 HG3 GLN A 101 5.798 -12.019 10.875 1.00 10.32 H new ATOM 0 HE21 GLN A 101 4.612 -14.600 8.740 1.00 62.15 H new ATOM 0 HE22 GLN A 101 3.978 -15.642 10.018 1.00 62.15 H new ATOM 1618 N LEU A 102 4.488 -8.905 11.394 1.00 53.33 N ATOM 1619 CA LEU A 102 4.990 -8.272 12.623 1.00 20.42 C ATOM 1620 C LEU A 102 5.285 -9.354 13.677 1.00 52.14 C ATOM 1621 O LEU A 102 4.411 -10.165 14.001 1.00 2.34 O ATOM 1622 CB LEU A 102 3.955 -7.236 13.154 1.00 30.22 C ATOM 1623 CG LEU A 102 4.383 -6.403 14.406 1.00 74.44 C ATOM 1624 CD1 LEU A 102 5.740 -5.711 14.183 1.00 32.31 C ATOM 1625 CD2 LEU A 102 3.298 -5.370 14.777 1.00 64.32 C ATOM 0 H LEU A 102 3.470 -8.948 11.338 1.00 53.33 H new ATOM 0 HA LEU A 102 5.916 -7.739 12.407 1.00 20.42 H new ATOM 0 HB2 LEU A 102 3.721 -6.543 12.346 1.00 30.22 H new ATOM 0 HB3 LEU A 102 3.034 -7.767 13.396 1.00 30.22 H new ATOM 0 HG LEU A 102 4.496 -7.096 15.240 1.00 74.44 H new ATOM 0 HD11 LEU A 102 6.008 -5.140 15.072 1.00 32.31 H new ATOM 0 HD12 LEU A 102 6.505 -6.463 13.990 1.00 32.31 H new ATOM 0 HD13 LEU A 102 5.669 -5.038 13.328 1.00 32.31 H new ATOM 0 HD21 LEU A 102 3.619 -4.803 15.651 1.00 64.32 H new ATOM 0 HD22 LEU A 102 3.142 -4.689 13.940 1.00 64.32 H new ATOM 0 HD23 LEU A 102 2.365 -5.887 15.003 1.00 64.32 H new ATOM 1637 N GLU A 103 6.537 -9.380 14.173 1.00 32.51 N ATOM 1638 CA GLU A 103 6.965 -10.313 15.243 1.00 44.44 C ATOM 1639 C GLU A 103 6.709 -9.711 16.644 1.00 35.44 C ATOM 1640 O GLU A 103 6.731 -10.433 17.647 1.00 31.33 O ATOM 1641 CB GLU A 103 8.463 -10.687 15.076 1.00 11.25 C ATOM 1642 CG GLU A 103 9.451 -9.520 15.289 1.00 2.44 C ATOM 1643 CD GLU A 103 10.931 -9.935 15.153 1.00 74.22 C ATOM 1644 OE1 GLU A 103 11.433 -10.665 16.030 1.00 51.55 O ATOM 1645 OE2 GLU A 103 11.588 -9.540 14.168 1.00 34.01 O ATOM 0 H GLU A 103 7.279 -8.760 13.848 1.00 32.51 H new ATOM 0 HA GLU A 103 6.369 -11.221 15.153 1.00 44.44 H new ATOM 0 HB2 GLU A 103 8.705 -11.482 15.781 1.00 11.25 H new ATOM 0 HB3 GLU A 103 8.612 -11.092 14.075 1.00 11.25 H new ATOM 0 HG2 GLU A 103 9.234 -8.734 14.566 1.00 2.44 H new ATOM 0 HG3 GLU A 103 9.291 -9.095 16.280 1.00 2.44 H new ATOM 1652 N GLY A 104 6.498 -8.382 16.687 1.00 52.41 N ATOM 1653 CA GLY A 104 6.132 -7.668 17.910 1.00 23.24 C ATOM 1654 C GLY A 104 4.795 -8.142 18.471 1.00 42.12 C ATOM 1655 O GLY A 104 3.787 -8.119 17.762 1.00 21.45 O ATOM 0 H GLY A 104 6.578 -7.778 15.869 1.00 52.41 H new ATOM 0 HA2 GLY A 104 6.910 -7.810 18.660 1.00 23.24 H new ATOM 0 HA3 GLY A 104 6.080 -6.599 17.704 1.00 23.24 H new ATOM 1659 N VAL A 105 4.805 -8.606 19.730 1.00 2.24 N ATOM 1660 CA VAL A 105 3.612 -9.147 20.411 1.00 14.03 C ATOM 1661 C VAL A 105 2.678 -8.009 20.875 1.00 65.13 C ATOM 1662 O VAL A 105 3.142 -6.984 21.380 1.00 22.03 O ATOM 1663 CB VAL A 105 4.017 -10.073 21.628 1.00 43.30 C ATOM 1664 CG1 VAL A 105 4.792 -11.320 21.145 1.00 34.12 C ATOM 1665 CG2 VAL A 105 4.841 -9.304 22.684 1.00 71.40 C ATOM 0 H VAL A 105 5.644 -8.618 20.310 1.00 2.24 H new ATOM 0 HA VAL A 105 3.069 -9.760 19.691 1.00 14.03 H new ATOM 0 HB VAL A 105 3.092 -10.401 22.101 1.00 43.30 H new ATOM 0 HG11 VAL A 105 5.057 -11.938 22.003 1.00 34.12 H new ATOM 0 HG12 VAL A 105 4.166 -11.895 20.463 1.00 34.12 H new ATOM 0 HG13 VAL A 105 5.699 -11.007 20.629 1.00 34.12 H new ATOM 0 HG21 VAL A 105 5.099 -9.975 23.503 1.00 71.40 H new ATOM 0 HG22 VAL A 105 5.754 -8.922 22.226 1.00 71.40 H new ATOM 0 HG23 VAL A 105 4.252 -8.471 23.069 1.00 71.40 H new ATOM 1675 N ASP A 106 1.364 -8.191 20.660 1.00 54.41 N ATOM 1676 CA ASP A 106 0.335 -7.227 21.093 1.00 20.42 C ATOM 1677 C ASP A 106 0.108 -7.363 22.613 1.00 41.41 C ATOM 1678 O ASP A 106 -0.637 -8.270 23.038 1.00 24.44 O ATOM 1679 CB ASP A 106 -0.996 -7.423 20.303 1.00 42.25 C ATOM 1680 CG ASP A 106 -0.877 -6.992 18.834 1.00 23.02 C ATOM 1681 OD1 ASP A 106 -1.030 -5.787 18.545 1.00 74.43 O ATOM 1682 OD2 ASP A 106 -0.606 -7.843 17.958 1.00 72.21 O ATOM 1683 OXT ASP A 106 0.706 -6.593 23.386 1.00 38.34 O ATOM 0 H ASP A 106 0.985 -9.008 20.182 1.00 54.41 H new ATOM 0 HA ASP A 106 0.687 -6.218 20.878 1.00 20.42 H new ATOM 0 HB2 ASP A 106 -1.290 -8.472 20.348 1.00 42.25 H new ATOM 0 HB3 ASP A 106 -1.788 -6.849 20.784 1.00 42.25 H new TER 1688 ASP A 106