USER MOD reduce.3.24.130724 H: found=0, std=0, add=910, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 909 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 83 ASN : amide:sc= -0.546 X(o=-0.7,f=-0.39) USER MOD Set 1.2: A 97 MET CE :methyl -143:sc= -0.15 (180deg=-0.645) USER MOD Set 2.1: A 33 THR OG1 : rot 170:sc= 0.105 USER MOD Set 2.2: A 43 LYS NZ :NH3+ -179:sc= 0.525 (180deg=-0.106) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -143:sc= 0.787 (180deg=-0.0089!) USER MOD Single : A 2 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0601) USER MOD Single : A 5 HIS : no HD1:sc= -0.694 K(o=-0.69,f=-1.6) USER MOD Single : A 7 MET CE :methyl -114:sc= -0.0145 (180deg=-0.293) USER MOD Single : A 9 THR OG1 : rot -150:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot 180:sc= -0.939 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 MET CE :methyl 162:sc= -0.167 (180deg=-0.667) USER MOD Single : A 27 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.0112) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 44:sc= 0.075 USER MOD Single : A 38 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00112) USER MOD Single : A 46 ASN : amide:sc= -0.612 K(o=-0.61,f=-2) USER MOD Single : A 53 THR OG1 : rot -71:sc= 0.857 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= -0.284 K(o=-0.28,f=-1.4) USER MOD Single : A 66 LYS NZ :NH3+ -175:sc= 0.78 (180deg=0.741) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ -145:sc= 1.29 (180deg=0.964) USER MOD Single : A 80 LYS NZ :NH3+ -177:sc= 1.15 (180deg=1.11) USER MOD Single : A 92 LYS NZ :NH3+ -179:sc= 1.23 (180deg=1.2) USER MOD Single : A 95 HIS : no HD1:sc= 1.47 K(o=1.5,f=-6.7!) USER MOD Single : A 100 SER OG : rot -72:sc= 1.79 USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 HIS :FLIP no HD1:sc= -0.0512 F(o=-0.77,f=-0.051) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.964 -7.137 35.357 1.00 3.12 N ATOM 2 CA MET A 1 3.941 -6.193 34.205 1.00 31.03 C ATOM 3 C MET A 1 4.396 -6.883 32.910 1.00 23.35 C ATOM 4 O MET A 1 5.412 -7.580 32.889 1.00 53.23 O ATOM 5 CB MET A 1 4.830 -4.969 34.492 1.00 1.41 C ATOM 6 CG MET A 1 6.301 -5.303 34.708 1.00 24.34 C ATOM 7 SD MET A 1 6.562 -6.349 36.152 1.00 50.52 S ATOM 8 CE MET A 1 8.308 -6.726 35.992 1.00 71.44 C ATOM 0 H1 MET A 1 3.158 -6.940 35.984 1.00 3.12 H new ATOM 0 H2 MET A 1 3.899 -8.114 35.007 1.00 3.12 H new ATOM 0 H3 MET A 1 4.851 -7.017 35.886 1.00 3.12 H new ATOM 0 HA MET A 1 2.912 -5.860 34.070 1.00 31.03 H new ATOM 0 HB2 MET A 1 4.746 -4.270 33.660 1.00 1.41 H new ATOM 0 HB3 MET A 1 4.451 -4.458 35.377 1.00 1.41 H new ATOM 0 HG2 MET A 1 6.690 -5.806 33.823 1.00 24.34 H new ATOM 0 HG3 MET A 1 6.867 -4.379 34.825 1.00 24.34 H new ATOM 0 HE1 MET A 1 8.619 -7.368 36.816 1.00 71.44 H new ATOM 0 HE2 MET A 1 8.484 -7.239 35.046 1.00 71.44 H new ATOM 0 HE3 MET A 1 8.884 -5.801 36.016 1.00 71.44 H new ATOM 20 N LYS A 2 3.640 -6.684 31.834 1.00 63.54 N ATOM 21 CA LYS A 2 3.957 -7.289 30.533 1.00 22.32 C ATOM 22 C LYS A 2 3.625 -6.324 29.378 1.00 20.21 C ATOM 23 O LYS A 2 2.472 -6.217 28.956 1.00 31.44 O ATOM 24 CB LYS A 2 3.196 -8.615 30.367 1.00 43.44 C ATOM 25 CG LYS A 2 3.366 -9.265 28.996 1.00 70.00 C ATOM 26 CD LYS A 2 2.700 -10.636 28.935 1.00 44.23 C ATOM 27 CE LYS A 2 2.659 -11.185 27.513 1.00 33.11 C ATOM 28 NZ LYS A 2 4.009 -11.259 26.894 1.00 62.33 N ATOM 0 H LYS A 2 2.799 -6.107 31.832 1.00 63.54 H new ATOM 0 HA LYS A 2 5.027 -7.492 30.501 1.00 22.32 H new ATOM 0 HB2 LYS A 2 3.534 -9.313 31.133 1.00 43.44 H new ATOM 0 HB3 LYS A 2 2.135 -8.437 30.544 1.00 43.44 H new ATOM 0 HG2 LYS A 2 2.937 -8.618 28.231 1.00 70.00 H new ATOM 0 HG3 LYS A 2 4.428 -9.366 28.770 1.00 70.00 H new ATOM 0 HD2 LYS A 2 3.241 -11.331 29.577 1.00 44.23 H new ATOM 0 HD3 LYS A 2 1.685 -10.564 29.326 1.00 44.23 H new ATOM 0 HE2 LYS A 2 2.212 -12.179 27.523 1.00 33.11 H new ATOM 0 HE3 LYS A 2 2.016 -10.553 26.901 1.00 33.11 H new ATOM 0 HZ1 LYS A 2 3.947 -11.761 25.985 1.00 62.33 H new ATOM 0 HZ2 LYS A 2 4.371 -10.297 26.734 1.00 62.33 H new ATOM 0 HZ3 LYS A 2 4.654 -11.771 27.529 1.00 62.33 H new ATOM 42 N PRO A 3 4.633 -5.585 28.874 1.00 10.43 N ATOM 43 CA PRO A 3 4.444 -4.625 27.780 1.00 73.42 C ATOM 44 C PRO A 3 4.581 -5.254 26.377 1.00 53.20 C ATOM 45 O PRO A 3 5.544 -5.973 26.091 1.00 22.21 O ATOM 46 CB PRO A 3 5.570 -3.619 28.040 1.00 65.31 C ATOM 47 CG PRO A 3 6.680 -4.433 28.629 1.00 55.03 C ATOM 48 CD PRO A 3 6.035 -5.604 29.344 1.00 11.15 C ATOM 0 HA PRO A 3 3.441 -4.198 27.773 1.00 73.42 H new ATOM 0 HB2 PRO A 3 5.884 -3.130 27.118 1.00 65.31 H new ATOM 0 HB3 PRO A 3 5.249 -2.834 28.724 1.00 65.31 H new ATOM 0 HG2 PRO A 3 7.358 -4.782 27.850 1.00 55.03 H new ATOM 0 HG3 PRO A 3 7.271 -3.835 29.323 1.00 55.03 H new ATOM 0 HD2 PRO A 3 6.527 -6.544 29.094 1.00 11.15 H new ATOM 0 HD3 PRO A 3 6.094 -5.492 30.427 1.00 11.15 H new ATOM 56 N GLU A 4 3.616 -4.971 25.500 1.00 72.32 N ATOM 57 CA GLU A 4 3.647 -5.460 24.116 1.00 32.53 C ATOM 58 C GLU A 4 3.798 -4.293 23.128 1.00 32.33 C ATOM 59 O GLU A 4 3.436 -3.158 23.437 1.00 53.33 O ATOM 60 CB GLU A 4 2.370 -6.249 23.800 1.00 24.32 C ATOM 61 CG GLU A 4 2.169 -7.475 24.684 1.00 12.04 C ATOM 62 CD GLU A 4 0.894 -8.229 24.348 1.00 43.33 C ATOM 63 OE1 GLU A 4 -0.180 -7.855 24.867 1.00 50.33 O ATOM 64 OE2 GLU A 4 0.956 -9.193 23.560 1.00 12.05 O ATOM 0 H GLU A 4 2.799 -4.403 25.723 1.00 72.32 H new ATOM 0 HA GLU A 4 4.508 -6.119 24.009 1.00 32.53 H new ATOM 0 HB2 GLU A 4 1.510 -5.589 23.910 1.00 24.32 H new ATOM 0 HB3 GLU A 4 2.398 -6.565 22.757 1.00 24.32 H new ATOM 0 HG2 GLU A 4 3.023 -8.143 24.573 1.00 12.04 H new ATOM 0 HG3 GLU A 4 2.140 -7.165 25.729 1.00 12.04 H new ATOM 71 N HIS A 5 4.321 -4.576 21.937 1.00 24.43 N ATOM 72 CA HIS A 5 4.613 -3.528 20.950 1.00 42.42 C ATOM 73 C HIS A 5 4.119 -3.909 19.540 1.00 13.52 C ATOM 74 O HIS A 5 4.754 -4.698 18.839 1.00 33.04 O ATOM 75 CB HIS A 5 6.127 -3.252 20.935 1.00 5.21 C ATOM 76 CG HIS A 5 6.566 -2.171 19.985 1.00 60.25 C ATOM 77 ND1 HIS A 5 7.847 -2.089 19.492 1.00 2.05 N ATOM 78 CD2 HIS A 5 5.896 -1.122 19.443 1.00 24.13 C ATOM 79 CE1 HIS A 5 7.949 -1.044 18.701 1.00 40.24 C ATOM 80 NE2 HIS A 5 6.783 -0.441 18.648 1.00 51.15 N ATOM 0 H HIS A 5 4.553 -5.520 21.628 1.00 24.43 H new ATOM 0 HA HIS A 5 4.076 -2.625 21.242 1.00 42.42 H new ATOM 0 HB2 HIS A 5 6.442 -2.979 21.942 1.00 5.21 H new ATOM 0 HB3 HIS A 5 6.647 -4.175 20.677 1.00 5.21 H new ATOM 0 HD2 HIS A 5 4.859 -0.871 19.607 1.00 24.13 H new ATOM 0 HE1 HIS A 5 8.843 -0.733 18.181 1.00 40.24 H new ATOM 0 HE2 HIS A 5 6.572 0.396 18.105 1.00 51.15 H new ATOM 89 N ARG A 6 2.974 -3.350 19.142 1.00 23.33 N ATOM 90 CA ARG A 6 2.440 -3.534 17.784 1.00 71.12 C ATOM 91 C ARG A 6 1.537 -2.348 17.396 1.00 44.04 C ATOM 92 O ARG A 6 0.309 -2.427 17.500 1.00 3.22 O ATOM 93 CB ARG A 6 1.650 -4.851 17.684 1.00 31.02 C ATOM 94 CG ARG A 6 1.349 -5.284 16.249 1.00 24.44 C ATOM 95 CD ARG A 6 0.317 -6.411 16.187 1.00 34.11 C ATOM 96 NE ARG A 6 0.612 -7.503 17.116 1.00 25.24 N ATOM 97 CZ ARG A 6 0.132 -8.713 17.012 1.00 14.32 C ATOM 98 NH1 ARG A 6 -0.542 -9.079 15.964 1.00 73.12 N ATOM 99 NH2 ARG A 6 0.369 -9.573 17.946 1.00 43.45 N ATOM 0 H ARG A 6 2.394 -2.763 19.742 1.00 23.33 H new ATOM 0 HA ARG A 6 3.281 -3.579 17.092 1.00 71.12 H new ATOM 0 HB2 ARG A 6 2.214 -5.640 18.181 1.00 31.02 H new ATOM 0 HB3 ARG A 6 0.710 -4.742 18.225 1.00 31.02 H new ATOM 0 HG2 ARG A 6 0.983 -4.428 15.683 1.00 24.44 H new ATOM 0 HG3 ARG A 6 2.271 -5.612 15.770 1.00 24.44 H new ATOM 0 HD2 ARG A 6 -0.670 -6.006 16.411 1.00 34.11 H new ATOM 0 HD3 ARG A 6 0.277 -6.805 15.172 1.00 34.11 H new ATOM 0 HE ARG A 6 1.236 -7.305 17.899 1.00 25.24 H new ATOM 0 HH11 ARG A 6 -0.704 -8.417 15.205 1.00 73.12 H new ATOM 0 HH12 ARG A 6 -0.909 -10.028 15.900 1.00 73.12 H new ATOM 0 HH21 ARG A 6 0.927 -9.305 18.757 1.00 43.45 H new ATOM 0 HH22 ARG A 6 -0.002 -10.520 17.873 1.00 43.45 H new ATOM 113 N MET A 7 2.159 -1.243 16.983 1.00 42.43 N ATOM 114 CA MET A 7 1.437 0.004 16.653 1.00 72.31 C ATOM 115 C MET A 7 2.393 1.040 16.036 1.00 62.44 C ATOM 116 O MET A 7 2.193 2.252 16.154 1.00 74.00 O ATOM 117 CB MET A 7 0.758 0.571 17.919 1.00 35.41 C ATOM 118 CG MET A 7 1.647 0.576 19.162 1.00 11.13 C ATOM 119 SD MET A 7 3.037 1.724 19.050 1.00 14.31 S ATOM 120 CE MET A 7 2.192 3.304 19.128 1.00 25.10 C ATOM 0 H MET A 7 3.170 -1.178 16.866 1.00 42.43 H new ATOM 0 HA MET A 7 0.667 -0.222 15.915 1.00 72.31 H new ATOM 0 HB2 MET A 7 0.432 1.591 17.716 1.00 35.41 H new ATOM 0 HB3 MET A 7 -0.137 -0.014 18.130 1.00 35.41 H new ATOM 0 HG2 MET A 7 1.042 0.835 20.031 1.00 11.13 H new ATOM 0 HG3 MET A 7 2.030 -0.431 19.329 1.00 11.13 H new ATOM 0 HE1 MET A 7 2.309 3.826 18.178 1.00 25.10 H new ATOM 0 HE2 MET A 7 1.132 3.141 19.324 1.00 25.10 H new ATOM 0 HE3 MET A 7 2.621 3.907 19.929 1.00 25.10 H new ATOM 130 N ASP A 8 3.395 0.532 15.332 1.00 3.42 N ATOM 131 CA ASP A 8 4.521 1.327 14.837 1.00 13.12 C ATOM 132 C ASP A 8 4.154 2.306 13.705 1.00 51.41 C ATOM 133 O ASP A 8 3.124 2.173 13.041 1.00 1.31 O ATOM 134 CB ASP A 8 5.609 0.367 14.365 1.00 2.01 C ATOM 135 CG ASP A 8 6.147 -0.474 15.509 1.00 52.42 C ATOM 136 OD1 ASP A 8 5.423 -1.383 15.986 1.00 52.32 O ATOM 137 OD2 ASP A 8 7.285 -0.218 15.948 1.00 43.41 O ATOM 0 H ASP A 8 3.454 -0.455 15.083 1.00 3.42 H new ATOM 0 HA ASP A 8 4.864 1.953 15.661 1.00 13.12 H new ATOM 0 HB2 ASP A 8 5.208 -0.286 13.590 1.00 2.01 H new ATOM 0 HB3 ASP A 8 6.424 0.933 13.914 1.00 2.01 H new ATOM 142 N THR A 9 5.036 3.289 13.495 1.00 22.23 N ATOM 143 CA THR A 9 4.878 4.289 12.427 1.00 73.41 C ATOM 144 C THR A 9 5.831 4.002 11.256 1.00 35.52 C ATOM 145 O THR A 9 6.628 3.064 11.309 1.00 54.01 O ATOM 146 CB THR A 9 5.156 5.719 12.953 1.00 31.24 C ATOM 147 OG1 THR A 9 6.521 5.832 13.390 1.00 31.32 O ATOM 148 CG2 THR A 9 4.222 6.071 14.107 1.00 4.31 C ATOM 0 H THR A 9 5.878 3.416 14.057 1.00 22.23 H new ATOM 0 HA THR A 9 3.846 4.224 12.082 1.00 73.41 H new ATOM 0 HB THR A 9 4.977 6.416 12.135 1.00 31.24 H new ATOM 0 HG1 THR A 9 6.580 6.491 14.113 1.00 31.32 H new ATOM 0 HG21 THR A 9 4.440 7.080 14.456 1.00 4.31 H new ATOM 0 HG22 THR A 9 3.188 6.020 13.767 1.00 4.31 H new ATOM 0 HG23 THR A 9 4.370 5.365 14.924 1.00 4.31 H new ATOM 156 N ILE A 10 5.767 4.830 10.206 1.00 41.23 N ATOM 157 CA ILE A 10 6.582 4.619 8.996 1.00 74.23 C ATOM 158 C ILE A 10 8.092 4.611 9.305 1.00 4.23 C ATOM 159 O ILE A 10 8.841 3.789 8.768 1.00 73.24 O ATOM 160 CB ILE A 10 6.270 5.678 7.902 1.00 32.21 C ATOM 161 CG1 ILE A 10 4.791 5.581 7.489 1.00 51.44 C ATOM 162 CG2 ILE A 10 7.183 5.497 6.687 1.00 2.10 C ATOM 163 CD1 ILE A 10 4.387 6.540 6.386 1.00 42.14 C ATOM 0 H ILE A 10 5.162 5.651 10.167 1.00 41.23 H new ATOM 0 HA ILE A 10 6.310 3.635 8.615 1.00 74.23 H new ATOM 0 HB ILE A 10 6.458 6.669 8.314 1.00 32.21 H new ATOM 0 HG12 ILE A 10 4.583 4.562 7.163 1.00 51.44 H new ATOM 0 HG13 ILE A 10 4.169 5.769 8.364 1.00 51.44 H new ATOM 0 HG21 ILE A 10 6.944 6.251 5.937 1.00 2.10 H new ATOM 0 HG22 ILE A 10 8.223 5.608 6.994 1.00 2.10 H new ATOM 0 HG23 ILE A 10 7.033 4.504 6.264 1.00 2.10 H new ATOM 0 HD11 ILE A 10 3.330 6.406 6.156 1.00 42.14 H new ATOM 0 HD12 ILE A 10 4.560 7.565 6.714 1.00 42.14 H new ATOM 0 HD13 ILE A 10 4.981 6.340 5.494 1.00 42.14 H new ATOM 175 N SER A 11 8.534 5.514 10.177 1.00 23.13 N ATOM 176 CA SER A 11 9.941 5.536 10.620 1.00 11.34 C ATOM 177 C SER A 11 10.338 4.218 11.304 1.00 51.04 C ATOM 178 O SER A 11 11.476 3.756 11.188 1.00 34.31 O ATOM 179 CB SER A 11 10.187 6.701 11.588 1.00 73.11 C ATOM 180 OG SER A 11 11.534 6.721 12.043 1.00 43.21 O ATOM 0 H SER A 11 7.949 6.239 10.593 1.00 23.13 H new ATOM 0 HA SER A 11 10.556 5.666 9.729 1.00 11.34 H new ATOM 0 HB2 SER A 11 9.955 7.643 11.092 1.00 73.11 H new ATOM 0 HB3 SER A 11 9.514 6.615 12.441 1.00 73.11 H new ATOM 0 HG SER A 11 11.661 7.475 12.657 1.00 43.21 H new ATOM 186 N LYS A 12 9.381 3.611 12.004 1.00 23.33 N ATOM 187 CA LYS A 12 9.619 2.374 12.761 1.00 62.54 C ATOM 188 C LYS A 12 9.615 1.122 11.863 1.00 24.32 C ATOM 189 O LYS A 12 10.222 0.106 12.207 1.00 64.44 O ATOM 190 CB LYS A 12 8.548 2.228 13.848 1.00 13.54 C ATOM 191 CG LYS A 12 8.583 3.324 14.915 1.00 72.41 C ATOM 192 CD LYS A 12 9.849 3.252 15.766 1.00 22.45 C ATOM 193 CE LYS A 12 9.944 1.934 16.529 1.00 32.44 C ATOM 194 NZ LYS A 12 11.215 1.825 17.291 1.00 42.14 N ATOM 0 H LYS A 12 8.423 3.957 12.065 1.00 23.33 H new ATOM 0 HA LYS A 12 10.610 2.450 13.208 1.00 62.54 H new ATOM 0 HB2 LYS A 12 7.565 2.227 13.376 1.00 13.54 H new ATOM 0 HB3 LYS A 12 8.669 1.260 14.334 1.00 13.54 H new ATOM 0 HG2 LYS A 12 8.524 4.300 14.434 1.00 72.41 H new ATOM 0 HG3 LYS A 12 7.708 3.232 15.558 1.00 72.41 H new ATOM 0 HD2 LYS A 12 10.724 3.366 15.126 1.00 22.45 H new ATOM 0 HD3 LYS A 12 9.860 4.082 16.472 1.00 22.45 H new ATOM 0 HE2 LYS A 12 9.101 1.850 17.215 1.00 32.44 H new ATOM 0 HE3 LYS A 12 9.868 1.103 15.828 1.00 32.44 H new ATOM 0 HZ1 LYS A 12 11.241 0.916 17.795 1.00 42.14 H new ATOM 0 HZ2 LYS A 12 12.019 1.879 16.634 1.00 42.14 H new ATOM 0 HZ3 LYS A 12 11.276 2.604 17.978 1.00 42.14 H new ATOM 208 N LEU A 13 8.925 1.200 10.724 1.00 24.22 N ATOM 209 CA LEU A 13 8.789 0.055 9.808 1.00 65.24 C ATOM 210 C LEU A 13 10.152 -0.491 9.351 1.00 61.12 C ATOM 211 O LEU A 13 10.807 0.090 8.485 1.00 74.54 O ATOM 212 CB LEU A 13 7.968 0.455 8.572 1.00 53.23 C ATOM 213 CG LEU A 13 6.559 0.994 8.855 1.00 40.32 C ATOM 214 CD1 LEU A 13 5.860 1.381 7.552 1.00 60.12 C ATOM 215 CD2 LEU A 13 5.735 -0.028 9.630 1.00 11.10 C ATOM 0 H LEU A 13 8.448 2.045 10.409 1.00 24.22 H new ATOM 0 HA LEU A 13 8.276 -0.732 10.361 1.00 65.24 H new ATOM 0 HB2 LEU A 13 8.523 1.213 8.020 1.00 53.23 H new ATOM 0 HB3 LEU A 13 7.880 -0.414 7.920 1.00 53.23 H new ATOM 0 HG LEU A 13 6.652 1.889 9.470 1.00 40.32 H new ATOM 0 HD11 LEU A 13 4.863 1.761 7.773 1.00 60.12 H new ATOM 0 HD12 LEU A 13 6.438 2.153 7.044 1.00 60.12 H new ATOM 0 HD13 LEU A 13 5.780 0.505 6.908 1.00 60.12 H new ATOM 0 HD21 LEU A 13 4.740 0.375 9.820 1.00 11.10 H new ATOM 0 HD22 LEU A 13 5.650 -0.945 9.046 1.00 11.10 H new ATOM 0 HD23 LEU A 13 6.225 -0.246 10.579 1.00 11.10 H new ATOM 227 N GLU A 14 10.574 -1.609 9.934 1.00 50.21 N ATOM 228 CA GLU A 14 11.832 -2.257 9.547 1.00 71.13 C ATOM 229 C GLU A 14 11.599 -3.313 8.453 1.00 3.34 C ATOM 230 O GLU A 14 10.520 -3.901 8.358 1.00 53.14 O ATOM 231 CB GLU A 14 12.493 -2.919 10.767 1.00 52.22 C ATOM 232 CG GLU A 14 13.845 -3.561 10.458 1.00 14.22 C ATOM 233 CD GLU A 14 14.427 -4.314 11.641 1.00 24.33 C ATOM 234 OE1 GLU A 14 14.989 -3.663 12.545 1.00 12.04 O ATOM 235 OE2 GLU A 14 14.329 -5.560 11.669 1.00 74.04 O ATOM 0 H GLU A 14 10.066 -2.089 10.677 1.00 50.21 H new ATOM 0 HA GLU A 14 12.493 -1.486 9.152 1.00 71.13 H new ATOM 0 HB2 GLU A 14 12.626 -2.171 11.548 1.00 52.22 H new ATOM 0 HB3 GLU A 14 11.822 -3.680 11.165 1.00 52.22 H new ATOM 0 HG2 GLU A 14 13.732 -4.246 9.618 1.00 14.22 H new ATOM 0 HG3 GLU A 14 14.546 -2.787 10.146 1.00 14.22 H new ATOM 242 N GLU A 15 12.621 -3.547 7.632 1.00 34.31 N ATOM 243 CA GLU A 15 12.565 -4.570 6.582 1.00 10.40 C ATOM 244 C GLU A 15 12.343 -5.980 7.167 1.00 71.43 C ATOM 245 O GLU A 15 12.903 -6.334 8.212 1.00 63.11 O ATOM 246 CB GLU A 15 13.861 -4.543 5.758 1.00 50.22 C ATOM 247 CG GLU A 15 15.126 -4.658 6.603 1.00 62.20 C ATOM 248 CD GLU A 15 16.393 -4.659 5.766 1.00 42.14 C ATOM 249 OE1 GLU A 15 16.930 -3.566 5.482 1.00 65.13 O ATOM 250 OE2 GLU A 15 16.863 -5.754 5.394 1.00 4.14 O ATOM 0 H GLU A 15 13.505 -3.040 7.672 1.00 34.31 H new ATOM 0 HA GLU A 15 11.715 -4.341 5.939 1.00 10.40 H new ATOM 0 HB2 GLU A 15 13.840 -5.360 5.037 1.00 50.22 H new ATOM 0 HB3 GLU A 15 13.899 -3.615 5.187 1.00 50.22 H new ATOM 0 HG2 GLU A 15 15.163 -3.828 7.309 1.00 62.20 H new ATOM 0 HG3 GLU A 15 15.083 -5.575 7.191 1.00 62.20 H new ATOM 257 N GLY A 16 11.518 -6.775 6.491 1.00 21.11 N ATOM 258 CA GLY A 16 11.230 -8.135 6.939 1.00 75.13 C ATOM 259 C GLY A 16 10.182 -8.203 8.050 1.00 5.21 C ATOM 260 O GLY A 16 9.901 -9.280 8.579 1.00 70.45 O ATOM 0 H GLY A 16 11.038 -6.502 5.633 1.00 21.11 H new ATOM 0 HA2 GLY A 16 10.885 -8.724 6.089 1.00 75.13 H new ATOM 0 HA3 GLY A 16 12.153 -8.596 7.292 1.00 75.13 H new ATOM 264 N ALA A 17 9.610 -7.057 8.418 1.00 15.44 N ATOM 265 CA ALA A 17 8.587 -7.004 9.471 1.00 44.23 C ATOM 266 C ALA A 17 7.164 -7.060 8.893 1.00 64.11 C ATOM 267 O ALA A 17 6.892 -6.501 7.827 1.00 74.43 O ATOM 268 CB ALA A 17 8.765 -5.739 10.304 1.00 1.53 C ATOM 0 H ALA A 17 9.835 -6.152 8.005 1.00 15.44 H new ATOM 0 HA ALA A 17 8.718 -7.881 10.105 1.00 44.23 H new ATOM 0 HB1 ALA A 17 8.003 -5.706 11.083 1.00 1.53 H new ATOM 0 HB2 ALA A 17 9.754 -5.742 10.763 1.00 1.53 H new ATOM 0 HB3 ALA A 17 8.666 -4.864 9.662 1.00 1.53 H new ATOM 274 N GLU A 18 6.255 -7.734 9.601 1.00 74.35 N ATOM 275 CA GLU A 18 4.843 -7.785 9.197 1.00 4.33 C ATOM 276 C GLU A 18 3.965 -6.983 10.175 1.00 63.42 C ATOM 277 O GLU A 18 3.757 -7.383 11.323 1.00 13.21 O ATOM 278 CB GLU A 18 4.363 -9.244 9.121 1.00 4.40 C ATOM 279 CG GLU A 18 2.916 -9.399 8.655 1.00 63.51 C ATOM 280 CD GLU A 18 2.517 -10.855 8.446 1.00 54.40 C ATOM 281 OE1 GLU A 18 2.880 -11.431 7.397 1.00 14.12 O ATOM 282 OE2 GLU A 18 1.841 -11.430 9.323 1.00 53.32 O ATOM 0 H GLU A 18 6.468 -8.251 10.454 1.00 74.35 H new ATOM 0 HA GLU A 18 4.753 -7.334 8.209 1.00 4.33 H new ATOM 0 HB2 GLU A 18 5.014 -9.795 8.442 1.00 4.40 H new ATOM 0 HB3 GLU A 18 4.468 -9.702 10.105 1.00 4.40 H new ATOM 0 HG2 GLU A 18 2.251 -8.947 9.391 1.00 63.51 H new ATOM 0 HG3 GLU A 18 2.779 -8.852 7.722 1.00 63.51 H new ATOM 289 N THR A 19 3.468 -5.840 9.712 1.00 62.05 N ATOM 290 CA THR A 19 2.650 -4.942 10.545 1.00 64.52 C ATOM 291 C THR A 19 1.684 -4.103 9.692 1.00 65.02 C ATOM 292 O THR A 19 1.932 -3.882 8.504 1.00 50.20 O ATOM 293 CB THR A 19 3.543 -3.984 11.380 1.00 63.40 C ATOM 294 OG1 THR A 19 2.736 -3.067 12.139 1.00 23.44 O ATOM 295 CG2 THR A 19 4.502 -3.210 10.481 1.00 51.43 C ATOM 0 H THR A 19 3.614 -5.506 8.760 1.00 62.05 H new ATOM 0 HA THR A 19 2.072 -5.578 11.216 1.00 64.52 H new ATOM 0 HB THR A 19 4.127 -4.592 12.070 1.00 63.40 H new ATOM 0 HG1 THR A 19 3.317 -2.473 12.659 1.00 23.44 H new ATOM 0 HG21 THR A 19 5.116 -2.546 11.090 1.00 51.43 H new ATOM 0 HG22 THR A 19 5.144 -3.910 9.946 1.00 51.43 H new ATOM 0 HG23 THR A 19 3.932 -2.620 9.763 1.00 51.43 H new ATOM 303 N PRO A 20 0.555 -3.644 10.268 1.00 31.41 N ATOM 304 CA PRO A 20 -0.296 -2.631 9.620 1.00 71.54 C ATOM 305 C PRO A 20 0.406 -1.259 9.536 1.00 53.31 C ATOM 306 O PRO A 20 1.148 -0.875 10.444 1.00 0.13 O ATOM 307 CB PRO A 20 -1.535 -2.564 10.531 1.00 64.40 C ATOM 308 CG PRO A 20 -1.060 -3.060 11.856 1.00 43.35 C ATOM 309 CD PRO A 20 -0.004 -4.092 11.559 1.00 55.10 C ATOM 0 HA PRO A 20 -0.536 -2.889 8.589 1.00 71.54 H new ATOM 0 HB2 PRO A 20 -1.918 -1.546 10.604 1.00 64.40 H new ATOM 0 HB3 PRO A 20 -2.345 -3.183 10.144 1.00 64.40 H new ATOM 0 HG2 PRO A 20 -0.652 -2.245 12.454 1.00 43.35 H new ATOM 0 HG3 PRO A 20 -1.881 -3.495 12.427 1.00 43.35 H new ATOM 0 HD2 PRO A 20 0.758 -4.124 12.338 1.00 55.10 H new ATOM 0 HD3 PRO A 20 -0.429 -5.093 11.488 1.00 55.10 H new ATOM 317 N VAL A 21 0.168 -0.525 8.448 1.00 52.34 N ATOM 318 CA VAL A 21 0.835 0.765 8.213 1.00 63.13 C ATOM 319 C VAL A 21 -0.179 1.901 7.996 1.00 41.25 C ATOM 320 O VAL A 21 -1.335 1.660 7.641 1.00 40.55 O ATOM 321 CB VAL A 21 1.784 0.694 6.987 1.00 25.35 C ATOM 322 CG1 VAL A 21 2.826 -0.405 7.173 1.00 71.34 C ATOM 323 CG2 VAL A 21 1.003 0.478 5.692 1.00 22.15 C ATOM 0 H VAL A 21 -0.482 -0.799 7.712 1.00 52.34 H new ATOM 0 HA VAL A 21 1.417 0.979 9.109 1.00 63.13 H new ATOM 0 HB VAL A 21 2.300 1.651 6.912 1.00 25.35 H new ATOM 0 HG11 VAL A 21 3.481 -0.437 6.302 1.00 71.34 H new ATOM 0 HG12 VAL A 21 3.418 -0.198 8.064 1.00 71.34 H new ATOM 0 HG13 VAL A 21 2.325 -1.366 7.286 1.00 71.34 H new ATOM 0 HG21 VAL A 21 1.696 0.433 4.852 1.00 22.15 H new ATOM 0 HG22 VAL A 21 0.447 -0.457 5.754 1.00 22.15 H new ATOM 0 HG23 VAL A 21 0.308 1.304 5.544 1.00 22.15 H new ATOM 333 N THR A 22 0.269 3.141 8.191 1.00 22.41 N ATOM 334 CA THR A 22 -0.616 4.313 8.094 1.00 63.44 C ATOM 335 C THR A 22 0.026 5.448 7.280 1.00 50.31 C ATOM 336 O THR A 22 1.242 5.633 7.312 1.00 5.54 O ATOM 337 CB THR A 22 -0.978 4.859 9.499 1.00 71.44 C ATOM 338 OG1 THR A 22 -1.634 3.848 10.281 1.00 42.52 O ATOM 339 CG2 THR A 22 -1.883 6.079 9.394 1.00 51.24 C ATOM 0 H THR A 22 1.238 3.365 8.417 1.00 22.41 H new ATOM 0 HA THR A 22 -1.519 3.975 7.585 1.00 63.44 H new ATOM 0 HB THR A 22 -0.048 5.149 9.989 1.00 71.44 H new ATOM 0 HG1 THR A 22 -1.854 4.209 11.165 1.00 42.52 H new ATOM 0 HG21 THR A 22 -2.122 6.442 10.394 1.00 51.24 H new ATOM 0 HG22 THR A 22 -1.373 6.864 8.835 1.00 51.24 H new ATOM 0 HG23 THR A 22 -2.803 5.806 8.878 1.00 51.24 H new ATOM 347 N GLY A 23 -0.801 6.208 6.552 1.00 21.20 N ATOM 348 CA GLY A 23 -0.304 7.363 5.802 1.00 24.32 C ATOM 349 C GLY A 23 -1.405 8.116 5.055 1.00 74.14 C ATOM 350 O GLY A 23 -2.451 7.549 4.733 1.00 31.40 O ATOM 0 H GLY A 23 -1.804 6.046 6.468 1.00 21.20 H new ATOM 0 HA2 GLY A 23 0.193 8.048 6.489 1.00 24.32 H new ATOM 0 HA3 GLY A 23 0.447 7.028 5.087 1.00 24.32 H new ATOM 354 N ARG A 24 -1.174 9.401 4.778 1.00 44.31 N ATOM 355 CA ARG A 24 -2.137 10.214 4.021 1.00 54.25 C ATOM 356 C ARG A 24 -1.837 10.121 2.513 1.00 53.11 C ATOM 357 O ARG A 24 -0.704 10.353 2.087 1.00 54.52 O ATOM 358 CB ARG A 24 -2.091 11.685 4.487 1.00 32.13 C ATOM 359 CG ARG A 24 -2.158 11.861 6.009 1.00 42.22 C ATOM 360 CD ARG A 24 -2.442 13.310 6.426 1.00 61.22 C ATOM 361 NE ARG A 24 -3.875 13.560 6.623 1.00 61.24 N ATOM 362 CZ ARG A 24 -4.511 14.625 6.206 1.00 11.25 C ATOM 363 NH1 ARG A 24 -3.901 15.536 5.520 1.00 71.33 N ATOM 364 NH2 ARG A 24 -5.770 14.769 6.466 1.00 51.44 N ATOM 0 H ARG A 24 -0.333 9.902 5.064 1.00 44.31 H new ATOM 0 HA ARG A 24 -3.139 9.827 4.206 1.00 54.25 H new ATOM 0 HB2 ARG A 24 -1.173 12.143 4.119 1.00 32.13 H new ATOM 0 HB3 ARG A 24 -2.921 12.225 4.032 1.00 32.13 H new ATOM 0 HG2 ARG A 24 -2.936 11.212 6.412 1.00 42.22 H new ATOM 0 HG3 ARG A 24 -1.215 11.539 6.450 1.00 42.22 H new ATOM 0 HD2 ARG A 24 -1.906 13.532 7.349 1.00 61.22 H new ATOM 0 HD3 ARG A 24 -2.058 13.988 5.663 1.00 61.22 H new ATOM 0 HE ARG A 24 -4.414 12.852 7.121 1.00 61.24 H new ATOM 0 HH11 ARG A 24 -2.911 15.430 5.297 1.00 71.33 H new ATOM 0 HH12 ARG A 24 -4.410 16.361 5.202 1.00 71.33 H new ATOM 0 HH21 ARG A 24 -6.267 14.053 6.996 1.00 51.44 H new ATOM 0 HH22 ARG A 24 -6.266 15.599 6.141 1.00 51.44 H new ATOM 378 N VAL A 25 -2.843 9.774 1.711 1.00 24.15 N ATOM 379 CA VAL A 25 -2.648 9.544 0.273 1.00 32.05 C ATOM 380 C VAL A 25 -2.283 10.836 -0.476 1.00 50.41 C ATOM 381 O VAL A 25 -2.992 11.840 -0.394 1.00 4.22 O ATOM 382 CB VAL A 25 -3.912 8.925 -0.378 1.00 41.13 C ATOM 383 CG1 VAL A 25 -3.689 8.659 -1.865 1.00 51.24 C ATOM 384 CG2 VAL A 25 -4.321 7.643 0.347 1.00 53.25 C ATOM 0 H VAL A 25 -3.803 9.645 2.029 1.00 24.15 H new ATOM 0 HA VAL A 25 -1.816 8.844 0.189 1.00 32.05 H new ATOM 0 HB VAL A 25 -4.725 9.645 -0.285 1.00 41.13 H new ATOM 0 HG11 VAL A 25 -4.591 8.225 -2.296 1.00 51.24 H new ATOM 0 HG12 VAL A 25 -3.459 9.596 -2.372 1.00 51.24 H new ATOM 0 HG13 VAL A 25 -2.857 7.966 -1.990 1.00 51.24 H new ATOM 0 HG21 VAL A 25 -5.210 7.225 -0.126 1.00 53.25 H new ATOM 0 HG22 VAL A 25 -3.508 6.919 0.294 1.00 53.25 H new ATOM 0 HG23 VAL A 25 -4.538 7.869 1.391 1.00 53.25 H new ATOM 394 N MET A 26 -1.168 10.800 -1.202 1.00 70.51 N ATOM 395 CA MET A 26 -0.726 11.947 -2.005 1.00 13.12 C ATOM 396 C MET A 26 -0.796 11.635 -3.508 1.00 33.41 C ATOM 397 O MET A 26 -1.430 12.361 -4.274 1.00 71.52 O ATOM 398 CB MET A 26 0.703 12.343 -1.611 1.00 34.51 C ATOM 399 CG MET A 26 1.249 13.538 -2.379 1.00 4.02 C ATOM 400 SD MET A 26 2.906 14.011 -1.843 1.00 51.44 S ATOM 401 CE MET A 26 3.817 12.498 -2.154 1.00 33.32 C ATOM 0 H MET A 26 -0.551 9.990 -1.253 1.00 70.51 H new ATOM 0 HA MET A 26 -1.398 12.781 -1.805 1.00 13.12 H new ATOM 0 HB2 MET A 26 0.726 12.568 -0.545 1.00 34.51 H new ATOM 0 HB3 MET A 26 1.362 11.490 -1.770 1.00 34.51 H new ATOM 0 HG2 MET A 26 1.269 13.303 -3.443 1.00 4.02 H new ATOM 0 HG3 MET A 26 0.575 14.385 -2.252 1.00 4.02 H new ATOM 0 HE1 MET A 26 4.885 12.715 -2.182 1.00 33.32 H new ATOM 0 HE2 MET A 26 3.613 11.781 -1.359 1.00 33.32 H new ATOM 0 HE3 MET A 26 3.508 12.077 -3.111 1.00 33.32 H new ATOM 411 N LYS A 27 -0.132 10.556 -3.928 1.00 2.41 N ATOM 412 CA LYS A 27 -0.121 10.150 -5.345 1.00 11.30 C ATOM 413 C LYS A 27 -0.505 8.669 -5.512 1.00 32.21 C ATOM 414 O LYS A 27 -0.103 7.820 -4.717 1.00 52.30 O ATOM 415 CB LYS A 27 1.267 10.389 -5.967 1.00 11.13 C ATOM 416 CG LYS A 27 1.716 11.850 -5.984 1.00 12.23 C ATOM 417 CD LYS A 27 0.682 12.754 -6.648 1.00 23.24 C ATOM 418 CE LYS A 27 1.240 14.139 -6.963 1.00 51.55 C ATOM 419 NZ LYS A 27 1.676 14.861 -5.742 1.00 53.12 N ATOM 0 H LYS A 27 0.406 9.945 -3.313 1.00 2.41 H new ATOM 0 HA LYS A 27 -0.862 10.761 -5.861 1.00 11.30 H new ATOM 0 HB2 LYS A 27 2.003 9.803 -5.416 1.00 11.13 H new ATOM 0 HB3 LYS A 27 1.261 10.013 -6.990 1.00 11.13 H new ATOM 0 HG2 LYS A 27 1.892 12.188 -4.963 1.00 12.23 H new ATOM 0 HG3 LYS A 27 2.665 11.932 -6.515 1.00 12.23 H new ATOM 0 HD2 LYS A 27 0.333 12.287 -7.569 1.00 23.24 H new ATOM 0 HD3 LYS A 27 -0.184 12.854 -5.993 1.00 23.24 H new ATOM 0 HE2 LYS A 27 2.084 14.042 -7.646 1.00 51.55 H new ATOM 0 HE3 LYS A 27 0.480 14.726 -7.478 1.00 51.55 H new ATOM 0 HZ1 LYS A 27 2.016 15.809 -6.002 1.00 53.12 H new ATOM 0 HZ2 LYS A 27 0.874 14.949 -5.086 1.00 53.12 H new ATOM 0 HZ3 LYS A 27 2.444 14.332 -5.282 1.00 53.12 H new ATOM 433 N ILE A 28 -1.288 8.366 -6.548 1.00 34.21 N ATOM 434 CA ILE A 28 -1.666 6.980 -6.866 1.00 23.42 C ATOM 435 C ILE A 28 -1.279 6.615 -8.310 1.00 42.41 C ATOM 436 O ILE A 28 -1.742 7.245 -9.266 1.00 14.24 O ATOM 437 CB ILE A 28 -3.191 6.751 -6.684 1.00 63.04 C ATOM 438 CG1 ILE A 28 -3.620 7.071 -5.244 1.00 41.42 C ATOM 439 CG2 ILE A 28 -3.569 5.316 -7.054 1.00 54.15 C ATOM 440 CD1 ILE A 28 -5.106 6.902 -4.992 1.00 32.54 C ATOM 0 H ILE A 28 -1.676 9.061 -7.186 1.00 34.21 H new ATOM 0 HA ILE A 28 -1.122 6.340 -6.171 1.00 23.42 H new ATOM 0 HB ILE A 28 -3.720 7.427 -7.355 1.00 63.04 H new ATOM 0 HG12 ILE A 28 -3.070 6.425 -4.560 1.00 41.42 H new ATOM 0 HG13 ILE A 28 -3.337 8.097 -5.011 1.00 41.42 H new ATOM 0 HG21 ILE A 28 -4.642 5.176 -6.920 1.00 54.15 H new ATOM 0 HG22 ILE A 28 -3.306 5.127 -8.095 1.00 54.15 H new ATOM 0 HG23 ILE A 28 -3.029 4.620 -6.412 1.00 54.15 H new ATOM 0 HD11 ILE A 28 -5.329 7.147 -3.953 1.00 32.54 H new ATOM 0 HD12 ILE A 28 -5.665 7.568 -5.650 1.00 32.54 H new ATOM 0 HD13 ILE A 28 -5.394 5.870 -5.192 1.00 32.54 H new ATOM 452 N SER A 29 -0.422 5.604 -8.463 1.00 51.32 N ATOM 453 CA SER A 29 -0.022 5.116 -9.793 1.00 11.31 C ATOM 454 C SER A 29 -0.946 3.983 -10.261 1.00 41.12 C ATOM 455 O SER A 29 -1.405 3.171 -9.454 1.00 23.14 O ATOM 456 CB SER A 29 1.435 4.624 -9.779 1.00 41.41 C ATOM 457 OG SER A 29 1.871 4.244 -11.078 1.00 53.33 O ATOM 0 H SER A 29 0.011 5.105 -7.686 1.00 51.32 H new ATOM 0 HA SER A 29 -0.107 5.950 -10.490 1.00 11.31 H new ATOM 0 HB2 SER A 29 2.082 5.412 -9.393 1.00 41.41 H new ATOM 0 HB3 SER A 29 1.527 3.776 -9.101 1.00 41.41 H new ATOM 0 HG SER A 29 2.801 3.938 -11.034 1.00 53.33 H new ATOM 463 N SER A 30 -1.208 3.929 -11.564 1.00 5.21 N ATOM 464 CA SER A 30 -2.145 2.944 -12.132 1.00 4.22 C ATOM 465 C SER A 30 -1.641 1.499 -11.970 1.00 12.24 C ATOM 466 O SER A 30 -0.437 1.243 -12.023 1.00 72.13 O ATOM 467 CB SER A 30 -2.384 3.228 -13.622 1.00 41.33 C ATOM 468 OG SER A 30 -1.184 3.097 -14.377 1.00 52.13 O ATOM 0 H SER A 30 -0.788 4.553 -12.253 1.00 5.21 H new ATOM 0 HA SER A 30 -3.078 3.043 -11.578 1.00 4.22 H new ATOM 0 HB2 SER A 30 -3.135 2.540 -14.009 1.00 41.33 H new ATOM 0 HB3 SER A 30 -2.783 4.235 -13.742 1.00 41.33 H new ATOM 0 HG SER A 30 -1.370 3.282 -15.321 1.00 52.13 H new ATOM 474 N PRO A 31 -2.567 0.533 -11.770 1.00 4.41 N ATOM 475 CA PRO A 31 -2.233 -0.901 -11.705 1.00 30.33 C ATOM 476 C PRO A 31 -1.359 -1.360 -12.888 1.00 41.12 C ATOM 477 O PRO A 31 -1.776 -1.301 -14.047 1.00 23.43 O ATOM 478 CB PRO A 31 -3.610 -1.605 -11.744 1.00 21.14 C ATOM 479 CG PRO A 31 -4.608 -0.530 -12.044 1.00 2.00 C ATOM 480 CD PRO A 31 -4.003 0.757 -11.567 1.00 33.13 C ATOM 0 HA PRO A 31 -1.649 -1.135 -10.815 1.00 30.33 H new ATOM 0 HB2 PRO A 31 -3.631 -2.382 -12.508 1.00 21.14 H new ATOM 0 HB3 PRO A 31 -3.830 -2.088 -10.792 1.00 21.14 H new ATOM 0 HG2 PRO A 31 -4.822 -0.486 -13.112 1.00 2.00 H new ATOM 0 HG3 PRO A 31 -5.553 -0.726 -11.538 1.00 2.00 H new ATOM 0 HD2 PRO A 31 -4.365 1.611 -12.140 1.00 33.13 H new ATOM 0 HD3 PRO A 31 -4.239 0.952 -10.521 1.00 33.13 H new ATOM 488 N ARG A 32 -0.156 -1.828 -12.581 1.00 24.24 N ATOM 489 CA ARG A 32 0.800 -2.261 -13.603 1.00 32.23 C ATOM 490 C ARG A 32 0.673 -3.771 -13.850 1.00 43.11 C ATOM 491 O ARG A 32 0.892 -4.581 -12.951 1.00 73.34 O ATOM 492 CB ARG A 32 2.225 -1.910 -13.156 1.00 73.23 C ATOM 493 CG ARG A 32 3.283 -2.073 -14.242 1.00 71.35 C ATOM 494 CD ARG A 32 4.657 -1.626 -13.753 1.00 25.22 C ATOM 495 NE ARG A 32 5.605 -1.464 -14.851 1.00 15.10 N ATOM 496 CZ ARG A 32 6.858 -1.134 -14.701 1.00 71.43 C ATOM 497 NH1 ARG A 32 7.375 -0.994 -13.519 1.00 10.13 N ATOM 498 NH2 ARG A 32 7.603 -0.951 -15.738 1.00 52.24 N ATOM 0 H ARG A 32 0.187 -1.919 -11.625 1.00 24.24 H new ATOM 0 HA ARG A 32 0.582 -1.743 -14.537 1.00 32.23 H new ATOM 0 HB2 ARG A 32 2.239 -0.878 -12.804 1.00 73.23 H new ATOM 0 HB3 ARG A 32 2.492 -2.540 -12.308 1.00 73.23 H new ATOM 0 HG2 ARG A 32 3.328 -3.116 -14.554 1.00 71.35 H new ATOM 0 HG3 ARG A 32 3.000 -1.490 -15.118 1.00 71.35 H new ATOM 0 HD2 ARG A 32 4.561 -0.683 -13.216 1.00 25.22 H new ATOM 0 HD3 ARG A 32 5.045 -2.358 -13.045 1.00 25.22 H new ATOM 0 HE ARG A 32 5.265 -1.619 -15.800 1.00 15.10 H new ATOM 0 HH11 ARG A 32 6.800 -1.142 -12.690 1.00 10.13 H new ATOM 0 HH12 ARG A 32 8.357 -0.736 -13.419 1.00 10.13 H new ATOM 0 HH21 ARG A 32 7.212 -1.064 -16.673 1.00 52.24 H new ATOM 0 HH22 ARG A 32 8.583 -0.693 -15.623 1.00 52.24 H new ATOM 512 N THR A 33 0.311 -4.137 -15.072 1.00 45.15 N ATOM 513 CA THR A 33 -0.005 -5.531 -15.412 1.00 12.05 C ATOM 514 C THR A 33 1.258 -6.354 -15.717 1.00 60.14 C ATOM 515 O THR A 33 2.183 -5.874 -16.374 1.00 51.13 O ATOM 516 CB THR A 33 -0.964 -5.594 -16.629 1.00 31.45 C ATOM 517 OG1 THR A 33 -1.982 -4.587 -16.498 1.00 11.51 O ATOM 518 CG2 THR A 33 -1.636 -6.961 -16.744 1.00 1.43 C ATOM 0 H THR A 33 0.226 -3.488 -15.854 1.00 45.15 H new ATOM 0 HA THR A 33 -0.491 -5.965 -14.538 1.00 12.05 H new ATOM 0 HB THR A 33 -0.370 -5.421 -17.527 1.00 31.45 H new ATOM 0 HG1 THR A 33 -2.486 -4.520 -17.336 1.00 11.51 H new ATOM 0 HG21 THR A 33 -2.301 -6.968 -17.608 1.00 1.43 H new ATOM 0 HG22 THR A 33 -0.875 -7.732 -16.866 1.00 1.43 H new ATOM 0 HG23 THR A 33 -2.213 -7.160 -15.841 1.00 1.43 H new ATOM 526 N PHE A 34 1.288 -7.595 -15.230 1.00 31.53 N ATOM 527 CA PHE A 34 2.409 -8.511 -15.472 1.00 30.43 C ATOM 528 C PHE A 34 1.900 -9.952 -15.621 1.00 2.21 C ATOM 529 O PHE A 34 0.829 -10.293 -15.125 1.00 64.34 O ATOM 530 CB PHE A 34 3.432 -8.433 -14.321 1.00 23.01 C ATOM 531 CG PHE A 34 2.906 -8.928 -12.988 1.00 51.43 C ATOM 532 CD1 PHE A 34 2.911 -10.286 -12.681 1.00 65.43 C ATOM 533 CD2 PHE A 34 2.402 -8.041 -12.046 1.00 63.11 C ATOM 534 CE1 PHE A 34 2.426 -10.741 -11.471 1.00 52.21 C ATOM 535 CE2 PHE A 34 1.918 -8.498 -10.834 1.00 12.32 C ATOM 536 CZ PHE A 34 1.929 -9.847 -10.547 1.00 75.51 C ATOM 0 H PHE A 34 0.542 -7.994 -14.660 1.00 31.53 H new ATOM 0 HA PHE A 34 2.900 -8.211 -16.398 1.00 30.43 H new ATOM 0 HB2 PHE A 34 4.312 -9.017 -14.591 1.00 23.01 H new ATOM 0 HB3 PHE A 34 3.758 -7.399 -14.209 1.00 23.01 H new ATOM 0 HD1 PHE A 34 3.299 -10.993 -13.399 1.00 65.43 H new ATOM 0 HD2 PHE A 34 2.388 -6.983 -12.262 1.00 63.11 H new ATOM 0 HE1 PHE A 34 2.436 -11.798 -11.248 1.00 52.21 H new ATOM 0 HE2 PHE A 34 1.530 -7.797 -10.110 1.00 12.32 H new ATOM 0 HZ PHE A 34 1.549 -10.202 -9.600 1.00 75.51 H new ATOM 546 N THR A 35 2.672 -10.804 -16.285 1.00 74.14 N ATOM 547 CA THR A 35 2.268 -12.201 -16.482 1.00 12.12 C ATOM 548 C THR A 35 2.665 -13.079 -15.288 1.00 23.41 C ATOM 549 O THR A 35 3.848 -13.301 -15.022 1.00 70.14 O ATOM 550 CB THR A 35 2.867 -12.786 -17.782 1.00 12.54 C ATOM 551 OG1 THR A 35 2.415 -12.018 -18.910 1.00 13.21 O ATOM 552 CG2 THR A 35 2.466 -14.247 -17.968 1.00 25.33 C ATOM 0 H THR A 35 3.574 -10.561 -16.695 1.00 74.14 H new ATOM 0 HA THR A 35 1.181 -12.203 -16.567 1.00 12.12 H new ATOM 0 HB THR A 35 3.953 -12.736 -17.708 1.00 12.54 H new ATOM 0 HG1 THR A 35 2.797 -12.389 -19.733 1.00 13.21 H new ATOM 0 HG21 THR A 35 2.903 -14.630 -18.891 1.00 25.33 H new ATOM 0 HG22 THR A 35 2.829 -14.834 -17.124 1.00 25.33 H new ATOM 0 HG23 THR A 35 1.380 -14.322 -18.022 1.00 25.33 H new ATOM 560 N THR A 36 1.657 -13.568 -14.565 1.00 62.43 N ATOM 561 CA THR A 36 1.872 -14.455 -13.408 1.00 31.03 C ATOM 562 C THR A 36 1.894 -15.934 -13.837 1.00 42.12 C ATOM 563 O THR A 36 1.940 -16.241 -15.029 1.00 72.15 O ATOM 564 CB THR A 36 0.786 -14.246 -12.320 1.00 32.35 C ATOM 565 OG1 THR A 36 1.080 -15.044 -11.162 1.00 31.45 O ATOM 566 CG2 THR A 36 -0.601 -14.605 -12.845 1.00 31.41 C ATOM 0 H THR A 36 0.676 -13.367 -14.757 1.00 62.43 H new ATOM 0 HA THR A 36 2.842 -14.194 -12.985 1.00 31.03 H new ATOM 0 HB THR A 36 0.791 -13.191 -12.047 1.00 32.35 H new ATOM 0 HG1 THR A 36 2.034 -14.975 -10.951 1.00 31.45 H new ATOM 0 HG21 THR A 36 -1.340 -14.448 -12.059 1.00 31.41 H new ATOM 0 HG22 THR A 36 -0.841 -13.973 -13.700 1.00 31.41 H new ATOM 0 HG23 THR A 36 -0.615 -15.651 -13.152 1.00 31.41 H new ATOM 574 N ARG A 37 1.898 -16.844 -12.863 1.00 74.54 N ATOM 575 CA ARG A 37 1.926 -18.290 -13.138 1.00 53.44 C ATOM 576 C ARG A 37 0.752 -18.718 -14.037 1.00 31.22 C ATOM 577 O ARG A 37 0.955 -19.267 -15.123 1.00 12.22 O ATOM 578 CB ARG A 37 1.875 -19.073 -11.819 1.00 15.55 C ATOM 579 CG ARG A 37 2.883 -18.593 -10.779 1.00 34.10 C ATOM 580 CD ARG A 37 2.774 -19.378 -9.478 1.00 63.10 C ATOM 581 NE ARG A 37 3.567 -18.772 -8.414 1.00 72.35 N ATOM 582 CZ ARG A 37 4.592 -19.340 -7.849 1.00 4.14 C ATOM 583 NH1 ARG A 37 4.977 -20.520 -8.217 1.00 44.24 N ATOM 584 NH2 ARG A 37 5.229 -18.722 -6.911 1.00 72.22 N ATOM 0 H ARG A 37 1.882 -16.609 -11.871 1.00 74.54 H new ATOM 0 HA ARG A 37 2.854 -18.511 -13.665 1.00 53.44 H new ATOM 0 HB2 ARG A 37 0.871 -18.997 -11.401 1.00 15.55 H new ATOM 0 HB3 ARG A 37 2.055 -20.128 -12.026 1.00 15.55 H new ATOM 0 HG2 ARG A 37 3.892 -18.691 -11.179 1.00 34.10 H new ATOM 0 HG3 ARG A 37 2.721 -17.534 -10.579 1.00 34.10 H new ATOM 0 HD2 ARG A 37 1.730 -19.428 -9.170 1.00 63.10 H new ATOM 0 HD3 ARG A 37 3.108 -20.403 -9.642 1.00 63.10 H new ATOM 0 HE ARG A 37 3.300 -17.842 -8.092 1.00 72.35 H new ATOM 0 HH11 ARG A 37 4.475 -21.013 -8.956 1.00 44.24 H new ATOM 0 HH12 ARG A 37 5.782 -20.957 -7.768 1.00 44.24 H new ATOM 0 HH21 ARG A 37 4.928 -17.793 -6.616 1.00 72.22 H new ATOM 0 HH22 ARG A 37 6.033 -19.163 -6.465 1.00 72.22 H new ATOM 598 N LYS A 38 -0.471 -18.472 -13.564 1.00 24.40 N ATOM 599 CA LYS A 38 -1.691 -18.776 -14.327 1.00 55.22 C ATOM 600 C LYS A 38 -2.953 -18.344 -13.555 1.00 61.32 C ATOM 601 O LYS A 38 -2.929 -18.211 -12.328 1.00 14.01 O ATOM 602 CB LYS A 38 -1.782 -20.277 -14.657 1.00 60.44 C ATOM 603 CG LYS A 38 -1.964 -21.182 -13.439 1.00 42.22 C ATOM 604 CD LYS A 38 -2.116 -22.648 -13.848 1.00 21.51 C ATOM 605 CE LYS A 38 -0.806 -23.246 -14.361 1.00 54.04 C ATOM 606 NZ LYS A 38 0.151 -23.533 -13.254 1.00 73.05 N ATOM 0 H LYS A 38 -0.647 -18.059 -12.648 1.00 24.40 H new ATOM 0 HA LYS A 38 -1.635 -18.212 -15.258 1.00 55.22 H new ATOM 0 HB2 LYS A 38 -2.616 -20.436 -15.340 1.00 60.44 H new ATOM 0 HB3 LYS A 38 -0.876 -20.576 -15.184 1.00 60.44 H new ATOM 0 HG2 LYS A 38 -1.107 -21.076 -12.774 1.00 42.22 H new ATOM 0 HG3 LYS A 38 -2.844 -20.866 -12.878 1.00 42.22 H new ATOM 0 HD2 LYS A 38 -2.467 -23.227 -12.994 1.00 21.51 H new ATOM 0 HD3 LYS A 38 -2.878 -22.730 -14.623 1.00 21.51 H new ATOM 0 HE2 LYS A 38 -1.017 -24.167 -14.905 1.00 54.04 H new ATOM 0 HE3 LYS A 38 -0.345 -22.556 -15.068 1.00 54.04 H new ATOM 0 HZ1 LYS A 38 1.018 -23.953 -13.645 1.00 73.05 H new ATOM 0 HZ2 LYS A 38 0.386 -22.648 -12.761 1.00 73.05 H new ATOM 0 HZ3 LYS A 38 -0.284 -24.198 -12.583 1.00 73.05 H new ATOM 620 N GLY A 39 -4.047 -18.108 -14.280 1.00 30.31 N ATOM 621 CA GLY A 39 -5.325 -17.794 -13.646 1.00 52.51 C ATOM 622 C GLY A 39 -5.746 -16.342 -13.835 1.00 34.12 C ATOM 623 O GLY A 39 -6.675 -16.045 -14.592 1.00 33.44 O ATOM 0 H GLY A 39 -4.073 -18.128 -15.299 1.00 30.31 H new ATOM 0 HA2 GLY A 39 -6.097 -18.446 -14.056 1.00 52.51 H new ATOM 0 HA3 GLY A 39 -5.258 -18.011 -12.580 1.00 52.51 H new ATOM 627 N ARG A 40 -5.069 -15.433 -13.140 1.00 43.54 N ATOM 628 CA ARG A 40 -5.370 -14.003 -13.237 1.00 70.02 C ATOM 629 C ARG A 40 -4.319 -13.266 -14.083 1.00 1.43 C ATOM 630 O ARG A 40 -3.181 -13.717 -14.215 1.00 33.31 O ATOM 631 CB ARG A 40 -5.491 -13.394 -11.826 1.00 32.33 C ATOM 632 CG ARG A 40 -6.646 -13.999 -11.025 1.00 21.11 C ATOM 633 CD ARG A 40 -6.827 -13.362 -9.645 1.00 22.42 C ATOM 634 NE ARG A 40 -5.726 -13.650 -8.722 1.00 24.11 N ATOM 635 CZ ARG A 40 -5.445 -14.838 -8.244 1.00 11.54 C ATOM 636 NH1 ARG A 40 -6.097 -15.889 -8.630 1.00 63.53 N ATOM 637 NH2 ARG A 40 -4.515 -14.961 -7.358 1.00 22.34 N ATOM 0 H ARG A 40 -4.306 -15.659 -12.502 1.00 43.54 H new ATOM 0 HA ARG A 40 -6.326 -13.883 -13.746 1.00 70.02 H new ATOM 0 HB2 ARG A 40 -4.557 -13.549 -11.285 1.00 32.33 H new ATOM 0 HB3 ARG A 40 -5.636 -12.317 -11.910 1.00 32.33 H new ATOM 0 HG2 ARG A 40 -7.570 -13.887 -11.593 1.00 21.11 H new ATOM 0 HG3 ARG A 40 -6.474 -15.068 -10.904 1.00 21.11 H new ATOM 0 HD2 ARG A 40 -6.921 -12.282 -9.761 1.00 22.42 H new ATOM 0 HD3 ARG A 40 -7.760 -13.718 -9.208 1.00 22.42 H new ATOM 0 HE ARG A 40 -5.136 -12.871 -8.431 1.00 24.11 H new ATOM 0 HH11 ARG A 40 -6.845 -15.801 -9.318 1.00 63.53 H new ATOM 0 HH12 ARG A 40 -5.863 -16.804 -8.246 1.00 63.53 H new ATOM 0 HH21 ARG A 40 -4.006 -14.138 -7.036 1.00 22.34 H new ATOM 0 HH22 ARG A 40 -4.289 -15.881 -6.980 1.00 22.34 H new ATOM 651 N GLU A 41 -4.716 -12.135 -14.661 1.00 75.04 N ATOM 652 CA GLU A 41 -3.867 -11.386 -15.603 1.00 3.50 C ATOM 653 C GLU A 41 -2.622 -10.759 -14.945 1.00 14.53 C ATOM 654 O GLU A 41 -1.726 -10.284 -15.645 1.00 3.03 O ATOM 655 CB GLU A 41 -4.711 -10.303 -16.289 1.00 44.32 C ATOM 656 CG GLU A 41 -5.338 -9.301 -15.323 1.00 31.12 C ATOM 657 CD GLU A 41 -6.450 -8.492 -15.969 1.00 60.02 C ATOM 658 OE1 GLU A 41 -6.153 -7.491 -16.654 1.00 54.40 O ATOM 659 OE2 GLU A 41 -7.635 -8.864 -15.800 1.00 24.40 O ATOM 0 H GLU A 41 -5.628 -11.709 -14.496 1.00 75.04 H new ATOM 0 HA GLU A 41 -3.490 -12.100 -16.335 1.00 3.50 H new ATOM 0 HB2 GLU A 41 -4.084 -9.764 -17.000 1.00 44.32 H new ATOM 0 HB3 GLU A 41 -5.503 -10.783 -16.863 1.00 44.32 H new ATOM 0 HG2 GLU A 41 -5.735 -9.833 -14.458 1.00 31.12 H new ATOM 0 HG3 GLU A 41 -4.567 -8.624 -14.954 1.00 31.12 H new ATOM 666 N GLY A 42 -2.574 -10.756 -13.608 1.00 50.44 N ATOM 667 CA GLY A 42 -1.407 -10.244 -12.887 1.00 54.24 C ATOM 668 C GLY A 42 -1.277 -8.719 -12.920 1.00 13.03 C ATOM 669 O GLY A 42 -1.191 -8.121 -13.985 1.00 3.35 O ATOM 0 H GLY A 42 -3.324 -11.100 -13.009 1.00 50.44 H new ATOM 0 HA2 GLY A 42 -1.461 -10.572 -11.849 1.00 54.24 H new ATOM 0 HA3 GLY A 42 -0.506 -10.685 -13.314 1.00 54.24 H new ATOM 673 N LYS A 43 -1.242 -8.090 -11.742 1.00 22.40 N ATOM 674 CA LYS A 43 -1.114 -6.625 -11.626 1.00 1.41 C ATOM 675 C LYS A 43 -0.463 -6.218 -10.293 1.00 62.11 C ATOM 676 O LYS A 43 -0.565 -6.934 -9.295 1.00 63.21 O ATOM 677 CB LYS A 43 -2.488 -5.939 -11.736 1.00 3.23 C ATOM 678 CG LYS A 43 -3.112 -5.973 -13.131 1.00 30.14 C ATOM 679 CD LYS A 43 -4.486 -5.316 -13.137 1.00 55.11 C ATOM 680 CE LYS A 43 -5.128 -5.313 -14.518 1.00 25.43 C ATOM 681 NZ LYS A 43 -4.323 -4.568 -15.524 1.00 21.32 N ATOM 0 H LYS A 43 -1.301 -8.573 -10.845 1.00 22.40 H new ATOM 0 HA LYS A 43 -0.476 -6.300 -12.448 1.00 1.41 H new ATOM 0 HB2 LYS A 43 -3.173 -6.416 -11.035 1.00 3.23 H new ATOM 0 HB3 LYS A 43 -2.385 -4.900 -11.425 1.00 3.23 H new ATOM 0 HG2 LYS A 43 -2.458 -5.461 -13.837 1.00 30.14 H new ATOM 0 HG3 LYS A 43 -3.199 -7.006 -13.468 1.00 30.14 H new ATOM 0 HD2 LYS A 43 -5.138 -5.840 -12.438 1.00 55.11 H new ATOM 0 HD3 LYS A 43 -4.396 -4.290 -12.780 1.00 55.11 H new ATOM 0 HE2 LYS A 43 -5.261 -6.341 -14.854 1.00 25.43 H new ATOM 0 HE3 LYS A 43 -6.121 -4.868 -14.452 1.00 25.43 H new ATOM 0 HZ1 LYS A 43 -4.813 -4.583 -16.441 1.00 21.32 H new ATOM 0 HZ2 LYS A 43 -4.202 -3.583 -15.212 1.00 21.32 H new ATOM 0 HZ3 LYS A 43 -3.390 -5.016 -15.623 1.00 21.32 H new ATOM 695 N LEU A 44 0.211 -5.072 -10.297 1.00 20.32 N ATOM 696 CA LEU A 44 0.756 -4.470 -9.071 1.00 14.44 C ATOM 697 C LEU A 44 0.679 -2.933 -9.153 1.00 55.01 C ATOM 698 O LEU A 44 1.036 -2.339 -10.168 1.00 10.35 O ATOM 699 CB LEU A 44 2.204 -4.952 -8.820 1.00 25.50 C ATOM 700 CG LEU A 44 3.239 -4.653 -9.934 1.00 15.44 C ATOM 701 CD1 LEU A 44 3.865 -3.267 -9.760 1.00 31.14 C ATOM 702 CD2 LEU A 44 4.324 -5.727 -9.967 1.00 31.34 C ATOM 0 H LEU A 44 0.397 -4.532 -11.142 1.00 20.32 H new ATOM 0 HA LEU A 44 0.152 -4.793 -8.223 1.00 14.44 H new ATOM 0 HB2 LEU A 44 2.559 -4.497 -7.895 1.00 25.50 H new ATOM 0 HB3 LEU A 44 2.181 -6.030 -8.657 1.00 25.50 H new ATOM 0 HG LEU A 44 2.709 -4.664 -10.886 1.00 15.44 H new ATOM 0 HD11 LEU A 44 4.586 -3.091 -10.558 1.00 31.14 H new ATOM 0 HD12 LEU A 44 3.084 -2.507 -9.802 1.00 31.14 H new ATOM 0 HD13 LEU A 44 4.371 -3.215 -8.796 1.00 31.14 H new ATOM 0 HD21 LEU A 44 5.040 -5.497 -10.756 1.00 31.34 H new ATOM 0 HD22 LEU A 44 4.839 -5.754 -9.007 1.00 31.34 H new ATOM 0 HD23 LEU A 44 3.869 -6.698 -10.162 1.00 31.34 H new ATOM 714 N ALA A 45 0.201 -2.291 -8.094 1.00 71.23 N ATOM 715 CA ALA A 45 0.005 -0.835 -8.092 1.00 33.22 C ATOM 716 C ALA A 45 0.856 -0.150 -7.017 1.00 15.00 C ATOM 717 O ALA A 45 1.157 -0.740 -5.984 1.00 34.13 O ATOM 718 CB ALA A 45 -1.468 -0.509 -7.884 1.00 42.11 C ATOM 0 H ALA A 45 -0.060 -2.751 -7.222 1.00 71.23 H new ATOM 0 HA ALA A 45 0.327 -0.453 -9.061 1.00 33.22 H new ATOM 0 HB1 ALA A 45 -1.605 0.572 -7.884 1.00 42.11 H new ATOM 0 HB2 ALA A 45 -2.055 -0.949 -8.690 1.00 42.11 H new ATOM 0 HB3 ALA A 45 -1.800 -0.917 -6.929 1.00 42.11 H new ATOM 724 N ASN A 46 1.226 1.106 -7.265 1.00 33.14 N ATOM 725 CA ASN A 46 2.065 1.866 -6.332 1.00 60.04 C ATOM 726 C ASN A 46 1.341 3.122 -5.818 1.00 2.33 C ATOM 727 O ASN A 46 1.097 4.066 -6.572 1.00 63.14 O ATOM 728 CB ASN A 46 3.383 2.266 -7.009 1.00 34.15 C ATOM 729 CG ASN A 46 4.197 1.063 -7.448 1.00 3.32 C ATOM 730 OD1 ASN A 46 4.996 0.532 -6.689 1.00 43.34 O ATOM 731 ND2 ASN A 46 4.007 0.627 -8.677 1.00 0.12 N ATOM 0 H ASN A 46 0.959 1.621 -8.104 1.00 33.14 H new ATOM 0 HA ASN A 46 2.276 1.223 -5.478 1.00 60.04 H new ATOM 0 HB2 ASN A 46 3.168 2.891 -7.875 1.00 34.15 H new ATOM 0 HB3 ASN A 46 3.974 2.869 -6.320 1.00 34.15 H new ATOM 0 HD21 ASN A 46 4.534 -0.176 -9.020 1.00 0.12 H new ATOM 0 HD22 ASN A 46 3.333 1.092 -9.285 1.00 0.12 H new ATOM 738 N VAL A 47 1.000 3.124 -4.533 1.00 1.23 N ATOM 739 CA VAL A 47 0.368 4.284 -3.894 1.00 54.13 C ATOM 740 C VAL A 47 1.339 4.966 -2.919 1.00 34.20 C ATOM 741 O VAL A 47 1.870 4.332 -2.006 1.00 31.30 O ATOM 742 CB VAL A 47 -0.927 3.883 -3.142 1.00 74.31 C ATOM 743 CG1 VAL A 47 -1.560 5.092 -2.450 1.00 1.02 C ATOM 744 CG2 VAL A 47 -1.922 3.229 -4.100 1.00 71.13 C ATOM 0 H VAL A 47 1.150 2.333 -3.907 1.00 1.23 H new ATOM 0 HA VAL A 47 0.105 4.985 -4.686 1.00 54.13 H new ATOM 0 HB VAL A 47 -0.659 3.159 -2.373 1.00 74.31 H new ATOM 0 HG11 VAL A 47 -2.466 4.781 -1.931 1.00 1.02 H new ATOM 0 HG12 VAL A 47 -0.855 5.510 -1.731 1.00 1.02 H new ATOM 0 HG13 VAL A 47 -1.810 5.848 -3.195 1.00 1.02 H new ATOM 0 HG21 VAL A 47 -2.825 2.954 -3.555 1.00 71.13 H new ATOM 0 HG22 VAL A 47 -2.177 3.930 -4.894 1.00 71.13 H new ATOM 0 HG23 VAL A 47 -1.475 2.335 -4.535 1.00 71.13 H new ATOM 754 N ILE A 48 1.570 6.258 -3.118 1.00 12.23 N ATOM 755 CA ILE A 48 2.495 7.016 -2.275 1.00 54.32 C ATOM 756 C ILE A 48 1.759 7.707 -1.119 1.00 53.20 C ATOM 757 O ILE A 48 1.006 8.668 -1.328 1.00 74.35 O ATOM 758 CB ILE A 48 3.263 8.081 -3.100 1.00 31.23 C ATOM 759 CG1 ILE A 48 3.985 7.424 -4.290 1.00 11.14 C ATOM 760 CG2 ILE A 48 4.260 8.840 -2.219 1.00 13.20 C ATOM 761 CD1 ILE A 48 5.024 6.392 -3.892 1.00 25.10 C ATOM 0 H ILE A 48 1.130 6.806 -3.857 1.00 12.23 H new ATOM 0 HA ILE A 48 3.208 6.301 -1.865 1.00 54.32 H new ATOM 0 HB ILE A 48 2.539 8.798 -3.487 1.00 31.23 H new ATOM 0 HG12 ILE A 48 3.244 6.949 -4.933 1.00 11.14 H new ATOM 0 HG13 ILE A 48 4.469 8.201 -4.882 1.00 11.14 H new ATOM 0 HG21 ILE A 48 4.786 9.581 -2.820 1.00 13.20 H new ATOM 0 HG22 ILE A 48 3.725 9.341 -1.412 1.00 13.20 H new ATOM 0 HG23 ILE A 48 4.979 8.139 -1.796 1.00 13.20 H new ATOM 0 HD11 ILE A 48 5.486 5.977 -4.788 1.00 25.10 H new ATOM 0 HD12 ILE A 48 5.788 6.864 -3.275 1.00 25.10 H new ATOM 0 HD13 ILE A 48 4.545 5.592 -3.327 1.00 25.10 H new ATOM 773 N ILE A 49 1.982 7.213 0.098 1.00 41.34 N ATOM 774 CA ILE A 49 1.382 7.798 1.300 1.00 15.01 C ATOM 775 C ILE A 49 2.427 8.570 2.121 1.00 24.44 C ATOM 776 O ILE A 49 3.583 8.154 2.225 1.00 34.21 O ATOM 777 CB ILE A 49 0.715 6.716 2.190 1.00 53.51 C ATOM 778 CG1 ILE A 49 1.730 5.630 2.596 1.00 34.50 C ATOM 779 CG2 ILE A 49 -0.481 6.098 1.466 1.00 25.01 C ATOM 780 CD1 ILE A 49 1.155 4.557 3.502 1.00 43.40 C ATOM 0 H ILE A 49 2.577 6.405 0.280 1.00 41.34 H new ATOM 0 HA ILE A 49 0.612 8.492 0.964 1.00 15.01 H new ATOM 0 HB ILE A 49 0.359 7.195 3.102 1.00 53.51 H new ATOM 0 HG12 ILE A 49 2.122 5.159 1.695 1.00 34.50 H new ATOM 0 HG13 ILE A 49 2.572 6.104 3.100 1.00 34.50 H new ATOM 0 HG21 ILE A 49 -0.939 5.341 2.102 1.00 25.01 H new ATOM 0 HG22 ILE A 49 -1.212 6.875 1.242 1.00 25.01 H new ATOM 0 HG23 ILE A 49 -0.145 5.637 0.537 1.00 25.01 H new ATOM 0 HD11 ILE A 49 1.931 3.830 3.743 1.00 43.40 H new ATOM 0 HD12 ILE A 49 0.789 5.015 4.421 1.00 43.40 H new ATOM 0 HD13 ILE A 49 0.332 4.054 2.994 1.00 43.40 H new ATOM 792 N ALA A 50 2.016 9.694 2.701 1.00 74.23 N ATOM 793 CA ALA A 50 2.939 10.570 3.431 1.00 43.34 C ATOM 794 C ALA A 50 2.546 10.736 4.904 1.00 55.00 C ATOM 795 O ALA A 50 1.377 10.973 5.228 1.00 33.12 O ATOM 796 CB ALA A 50 3.008 11.934 2.749 1.00 10.42 C ATOM 0 H ALA A 50 1.051 10.023 2.682 1.00 74.23 H new ATOM 0 HA ALA A 50 3.921 10.097 3.412 1.00 43.34 H new ATOM 0 HB1 ALA A 50 3.695 12.580 3.296 1.00 10.42 H new ATOM 0 HB2 ALA A 50 3.362 11.812 1.725 1.00 10.42 H new ATOM 0 HB3 ALA A 50 2.016 12.386 2.738 1.00 10.42 H new ATOM 802 N ASP A 51 3.531 10.606 5.790 1.00 42.23 N ATOM 803 CA ASP A 51 3.344 10.868 7.220 1.00 63.51 C ATOM 804 C ASP A 51 4.524 11.683 7.785 1.00 22.55 C ATOM 805 O ASP A 51 5.586 11.771 7.169 1.00 32.25 O ATOM 806 CB ASP A 51 3.185 9.551 7.989 1.00 64.35 C ATOM 807 CG ASP A 51 3.052 9.770 9.488 1.00 72.23 C ATOM 808 OD1 ASP A 51 2.063 10.407 9.915 1.00 22.30 O ATOM 809 OD2 ASP A 51 3.948 9.337 10.241 1.00 44.14 O ATOM 0 H ASP A 51 4.477 10.318 5.541 1.00 42.23 H new ATOM 0 HA ASP A 51 2.434 11.455 7.344 1.00 63.51 H new ATOM 0 HB2 ASP A 51 2.305 9.023 7.622 1.00 64.35 H new ATOM 0 HB3 ASP A 51 4.046 8.912 7.792 1.00 64.35 H new ATOM 814 N ASP A 52 4.331 12.275 8.962 1.00 45.13 N ATOM 815 CA ASP A 52 5.365 13.089 9.607 1.00 24.30 C ATOM 816 C ASP A 52 6.636 12.279 9.929 1.00 44.12 C ATOM 817 O ASP A 52 7.712 12.851 10.117 1.00 52.12 O ATOM 818 CB ASP A 52 4.801 13.726 10.881 1.00 20.21 C ATOM 819 CG ASP A 52 3.682 14.706 10.576 1.00 14.54 C ATOM 820 OD1 ASP A 52 2.522 14.267 10.409 1.00 43.24 O ATOM 821 OD2 ASP A 52 3.959 15.919 10.481 1.00 11.44 O ATOM 0 H ASP A 52 3.463 12.207 9.493 1.00 45.13 H new ATOM 0 HA ASP A 52 5.657 13.869 8.903 1.00 24.30 H new ATOM 0 HB2 ASP A 52 4.429 12.945 11.544 1.00 20.21 H new ATOM 0 HB3 ASP A 52 5.600 14.242 11.414 1.00 20.21 H new ATOM 826 N THR A 53 6.519 10.952 9.994 1.00 25.20 N ATOM 827 CA THR A 53 7.685 10.094 10.259 1.00 3.35 C ATOM 828 C THR A 53 8.334 9.580 8.963 1.00 21.14 C ATOM 829 O THR A 53 9.335 8.860 9.009 1.00 53.45 O ATOM 830 CB THR A 53 7.321 8.879 11.150 1.00 2.00 C ATOM 831 OG1 THR A 53 6.456 7.971 10.445 1.00 44.14 O ATOM 832 CG2 THR A 53 6.640 9.331 12.439 1.00 21.23 C ATOM 0 H THR A 53 5.641 10.448 9.869 1.00 25.20 H new ATOM 0 HA THR A 53 8.399 10.725 10.788 1.00 3.35 H new ATOM 0 HB THR A 53 8.249 8.366 11.402 1.00 2.00 H new ATOM 0 HG1 THR A 53 5.566 8.371 10.354 1.00 44.14 H new ATOM 0 HG21 THR A 53 6.395 8.459 13.046 1.00 21.23 H new ATOM 0 HG22 THR A 53 7.312 9.984 12.996 1.00 21.23 H new ATOM 0 HG23 THR A 53 5.726 9.873 12.197 1.00 21.23 H new ATOM 840 N GLY A 54 7.766 9.950 7.811 1.00 12.21 N ATOM 841 CA GLY A 54 8.317 9.529 6.521 1.00 0.31 C ATOM 842 C GLY A 54 7.246 9.192 5.481 1.00 0.43 C ATOM 843 O GLY A 54 6.065 9.067 5.809 1.00 0.52 O ATOM 0 H GLY A 54 6.933 10.535 7.746 1.00 12.21 H new ATOM 0 HA2 GLY A 54 8.954 10.322 6.131 1.00 0.31 H new ATOM 0 HA3 GLY A 54 8.952 8.656 6.673 1.00 0.31 H new ATOM 847 N GLU A 55 7.656 9.065 4.217 1.00 71.12 N ATOM 848 CA GLU A 55 6.744 8.646 3.143 1.00 52.45 C ATOM 849 C GLU A 55 6.989 7.178 2.753 1.00 13.05 C ATOM 850 O GLU A 55 8.134 6.735 2.650 1.00 10.00 O ATOM 851 CB GLU A 55 6.890 9.541 1.898 1.00 64.35 C ATOM 852 CG GLU A 55 6.536 11.014 2.122 1.00 20.24 C ATOM 853 CD GLU A 55 7.684 11.838 2.691 1.00 54.13 C ATOM 854 OE1 GLU A 55 8.473 12.394 1.895 1.00 25.10 O ATOM 855 OE2 GLU A 55 7.806 11.941 3.929 1.00 32.42 O ATOM 0 H GLU A 55 8.612 9.245 3.909 1.00 71.12 H new ATOM 0 HA GLU A 55 5.729 8.748 3.527 1.00 52.45 H new ATOM 0 HB2 GLU A 55 7.918 9.479 1.542 1.00 64.35 H new ATOM 0 HB3 GLU A 55 6.254 9.145 1.106 1.00 64.35 H new ATOM 0 HG2 GLU A 55 6.221 11.451 1.175 1.00 20.24 H new ATOM 0 HG3 GLU A 55 5.685 11.075 2.800 1.00 20.24 H new ATOM 862 N LEU A 56 5.911 6.440 2.511 1.00 64.32 N ATOM 863 CA LEU A 56 5.990 4.999 2.237 1.00 14.33 C ATOM 864 C LEU A 56 5.402 4.653 0.857 1.00 64.14 C ATOM 865 O LEU A 56 4.385 5.218 0.447 1.00 42.24 O ATOM 866 CB LEU A 56 5.225 4.237 3.333 1.00 71.11 C ATOM 867 CG LEU A 56 5.286 2.700 3.259 1.00 32.43 C ATOM 868 CD1 LEU A 56 6.703 2.195 3.519 1.00 74.23 C ATOM 869 CD2 LEU A 56 4.302 2.075 4.242 1.00 20.31 C ATOM 0 H LEU A 56 4.962 6.814 2.498 1.00 64.32 H new ATOM 0 HA LEU A 56 7.040 4.705 2.234 1.00 14.33 H new ATOM 0 HB2 LEU A 56 5.613 4.549 4.302 1.00 71.11 H new ATOM 0 HB3 LEU A 56 4.179 4.541 3.296 1.00 71.11 H new ATOM 0 HG LEU A 56 5.002 2.399 2.251 1.00 32.43 H new ATOM 0 HD11 LEU A 56 6.718 1.107 3.461 1.00 74.23 H new ATOM 0 HD12 LEU A 56 7.379 2.608 2.770 1.00 74.23 H new ATOM 0 HD13 LEU A 56 7.025 2.510 4.512 1.00 74.23 H new ATOM 0 HD21 LEU A 56 4.360 0.989 4.174 1.00 20.31 H new ATOM 0 HD22 LEU A 56 4.551 2.389 5.256 1.00 20.31 H new ATOM 0 HD23 LEU A 56 3.290 2.400 4.000 1.00 20.31 H new ATOM 881 N ARG A 57 6.043 3.725 0.135 1.00 21.24 N ATOM 882 CA ARG A 57 5.484 3.228 -1.133 1.00 43.13 C ATOM 883 C ARG A 57 4.638 1.962 -0.900 1.00 44.23 C ATOM 884 O ARG A 57 5.170 0.889 -0.609 1.00 62.50 O ATOM 885 CB ARG A 57 6.596 2.915 -2.151 1.00 41.13 C ATOM 886 CG ARG A 57 6.066 2.646 -3.562 1.00 64.34 C ATOM 887 CD ARG A 57 7.147 2.130 -4.513 1.00 62.13 C ATOM 888 NE ARG A 57 7.518 0.740 -4.237 1.00 72.23 N ATOM 889 CZ ARG A 57 7.749 -0.153 -5.167 1.00 74.52 C ATOM 890 NH1 ARG A 57 7.667 0.160 -6.421 1.00 4.30 N ATOM 891 NH2 ARG A 57 8.062 -1.361 -4.844 1.00 62.42 N ATOM 0 H ARG A 57 6.935 3.307 0.400 1.00 21.24 H new ATOM 0 HA ARG A 57 4.850 4.017 -1.536 1.00 43.13 H new ATOM 0 HB2 ARG A 57 7.294 3.752 -2.186 1.00 41.13 H new ATOM 0 HB3 ARG A 57 7.158 2.046 -1.809 1.00 41.13 H new ATOM 0 HG2 ARG A 57 5.257 1.917 -3.509 1.00 64.34 H new ATOM 0 HG3 ARG A 57 5.641 3.564 -3.967 1.00 64.34 H new ATOM 0 HD2 ARG A 57 6.792 2.211 -5.540 1.00 62.13 H new ATOM 0 HD3 ARG A 57 8.031 2.762 -4.431 1.00 62.13 H new ATOM 0 HE ARG A 57 7.601 0.450 -3.263 1.00 72.23 H new ATOM 0 HH11 ARG A 57 7.420 1.111 -6.694 1.00 4.30 H new ATOM 0 HH12 ARG A 57 7.849 -0.545 -7.136 1.00 4.30 H new ATOM 0 HH21 ARG A 57 8.131 -1.625 -3.861 1.00 62.42 H new ATOM 0 HH22 ARG A 57 8.241 -2.053 -5.571 1.00 62.42 H new ATOM 905 N ALA A 58 3.321 2.097 -1.023 1.00 33.42 N ATOM 906 CA ALA A 58 2.399 0.969 -0.836 1.00 12.42 C ATOM 907 C ALA A 58 2.191 0.185 -2.144 1.00 44.53 C ATOM 908 O ALA A 58 1.761 0.746 -3.151 1.00 41.00 O ATOM 909 CB ALA A 58 1.059 1.472 -0.306 1.00 33.31 C ATOM 0 H ALA A 58 2.862 2.978 -1.252 1.00 33.42 H new ATOM 0 HA ALA A 58 2.844 0.290 -0.109 1.00 12.42 H new ATOM 0 HB1 ALA A 58 0.382 0.629 -0.170 1.00 33.31 H new ATOM 0 HB2 ALA A 58 1.211 1.973 0.650 1.00 33.31 H new ATOM 0 HB3 ALA A 58 0.626 2.174 -1.019 1.00 33.31 H new ATOM 915 N VAL A 59 2.491 -1.112 -2.117 1.00 52.52 N ATOM 916 CA VAL A 59 2.371 -1.967 -3.304 1.00 54.23 C ATOM 917 C VAL A 59 1.093 -2.828 -3.255 1.00 61.45 C ATOM 918 O VAL A 59 1.002 -3.793 -2.490 1.00 21.31 O ATOM 919 CB VAL A 59 3.605 -2.897 -3.455 1.00 52.35 C ATOM 920 CG1 VAL A 59 3.519 -3.720 -4.742 1.00 64.40 C ATOM 921 CG2 VAL A 59 4.900 -2.086 -3.414 1.00 14.31 C ATOM 0 H VAL A 59 2.821 -1.599 -1.284 1.00 52.52 H new ATOM 0 HA VAL A 59 2.316 -1.301 -4.165 1.00 54.23 H new ATOM 0 HB VAL A 59 3.609 -3.591 -2.614 1.00 52.35 H new ATOM 0 HG11 VAL A 59 4.396 -4.362 -4.822 1.00 64.40 H new ATOM 0 HG12 VAL A 59 2.619 -4.335 -4.721 1.00 64.40 H new ATOM 0 HG13 VAL A 59 3.480 -3.050 -5.601 1.00 64.40 H new ATOM 0 HG21 VAL A 59 5.753 -2.756 -3.521 1.00 14.31 H new ATOM 0 HG22 VAL A 59 4.902 -1.363 -4.229 1.00 14.31 H new ATOM 0 HG23 VAL A 59 4.970 -1.560 -2.462 1.00 14.31 H new ATOM 931 N PHE A 60 0.108 -2.468 -4.074 1.00 4.33 N ATOM 932 CA PHE A 60 -1.149 -3.220 -4.157 1.00 34.12 C ATOM 933 C PHE A 60 -1.086 -4.279 -5.270 1.00 41.42 C ATOM 934 O PHE A 60 -1.178 -3.961 -6.456 1.00 22.53 O ATOM 935 CB PHE A 60 -2.329 -2.268 -4.422 1.00 40.51 C ATOM 936 CG PHE A 60 -2.681 -1.372 -3.257 1.00 52.11 C ATOM 937 CD1 PHE A 60 -1.808 -0.379 -2.835 1.00 44.23 C ATOM 938 CD2 PHE A 60 -3.892 -1.519 -2.590 1.00 21.32 C ATOM 939 CE1 PHE A 60 -2.133 0.444 -1.774 1.00 61.30 C ATOM 940 CE2 PHE A 60 -4.221 -0.697 -1.526 1.00 11.02 C ATOM 941 CZ PHE A 60 -3.339 0.285 -1.119 1.00 31.45 C ATOM 0 H PHE A 60 0.153 -1.658 -4.693 1.00 4.33 H new ATOM 0 HA PHE A 60 -1.298 -3.723 -3.202 1.00 34.12 H new ATOM 0 HB2 PHE A 60 -2.091 -1.646 -5.285 1.00 40.51 H new ATOM 0 HB3 PHE A 60 -3.205 -2.860 -4.687 1.00 40.51 H new ATOM 0 HD1 PHE A 60 -0.863 -0.248 -3.342 1.00 44.23 H new ATOM 0 HD2 PHE A 60 -4.585 -2.285 -2.906 1.00 21.32 H new ATOM 0 HE1 PHE A 60 -1.444 1.212 -1.456 1.00 61.30 H new ATOM 0 HE2 PHE A 60 -5.164 -0.823 -1.016 1.00 11.02 H new ATOM 0 HZ PHE A 60 -3.592 0.928 -0.289 1.00 31.45 H new ATOM 951 N TRP A 61 -0.926 -5.534 -4.877 1.00 4.35 N ATOM 952 CA TRP A 61 -0.883 -6.657 -5.822 1.00 53.35 C ATOM 953 C TRP A 61 -2.277 -6.978 -6.388 1.00 24.21 C ATOM 954 O TRP A 61 -3.288 -6.525 -5.857 1.00 62.24 O ATOM 955 CB TRP A 61 -0.274 -7.892 -5.146 1.00 43.33 C ATOM 956 CG TRP A 61 1.187 -7.731 -4.833 1.00 34.14 C ATOM 957 CD1 TRP A 61 1.742 -7.293 -3.661 1.00 20.34 C ATOM 958 CD2 TRP A 61 2.283 -7.995 -5.719 1.00 2.41 C ATOM 959 NE1 TRP A 61 3.112 -7.281 -3.763 1.00 11.51 N ATOM 960 CE2 TRP A 61 3.468 -7.704 -5.017 1.00 1.42 C ATOM 961 CE3 TRP A 61 2.378 -8.448 -7.038 1.00 20.13 C ATOM 962 CZ2 TRP A 61 4.729 -7.852 -5.589 1.00 20.14 C ATOM 963 CZ3 TRP A 61 3.631 -8.596 -7.603 1.00 11.24 C ATOM 964 CH2 TRP A 61 4.791 -8.302 -6.879 1.00 52.03 C ATOM 0 H TRP A 61 -0.822 -5.809 -3.900 1.00 4.35 H new ATOM 0 HA TRP A 61 -0.252 -6.365 -6.662 1.00 53.35 H new ATOM 0 HB2 TRP A 61 -0.817 -8.099 -4.224 1.00 43.33 H new ATOM 0 HB3 TRP A 61 -0.407 -8.757 -5.795 1.00 43.33 H new ATOM 0 HD1 TRP A 61 1.184 -7.000 -2.784 1.00 20.34 H new ATOM 0 HE1 TRP A 61 3.759 -7.003 -3.025 1.00 11.51 H new ATOM 0 HE3 TRP A 61 1.488 -8.678 -7.606 1.00 20.13 H new ATOM 0 HZ2 TRP A 61 5.626 -7.620 -5.034 1.00 20.14 H new ATOM 0 HZ3 TRP A 61 3.716 -8.945 -8.622 1.00 11.24 H new ATOM 0 HH2 TRP A 61 5.755 -8.433 -7.348 1.00 52.03 H new ATOM 975 N THR A 62 -2.317 -7.713 -7.505 1.00 42.12 N ATOM 976 CA THR A 62 -3.588 -8.127 -8.144 1.00 72.54 C ATOM 977 C THR A 62 -4.651 -8.592 -7.129 1.00 41.53 C ATOM 978 O THR A 62 -5.854 -8.435 -7.360 1.00 5.43 O ATOM 979 CB THR A 62 -3.360 -9.257 -9.180 1.00 21.11 C ATOM 980 OG1 THR A 62 -4.612 -9.704 -9.725 1.00 43.42 O ATOM 981 CG2 THR A 62 -2.617 -10.439 -8.563 1.00 34.22 C ATOM 0 H THR A 62 -1.483 -8.039 -7.993 1.00 42.12 H new ATOM 0 HA THR A 62 -3.963 -7.234 -8.645 1.00 72.54 H new ATOM 0 HB THR A 62 -2.746 -8.845 -9.981 1.00 21.11 H new ATOM 0 HG1 THR A 62 -4.449 -10.416 -10.378 1.00 43.42 H new ATOM 0 HG21 THR A 62 -2.474 -11.213 -9.317 1.00 34.22 H new ATOM 0 HG22 THR A 62 -1.646 -10.107 -8.196 1.00 34.22 H new ATOM 0 HG23 THR A 62 -3.199 -10.843 -7.735 1.00 34.22 H new ATOM 989 N GLU A 63 -4.201 -9.151 -6.010 1.00 12.33 N ATOM 990 CA GLU A 63 -5.095 -9.609 -4.940 1.00 72.21 C ATOM 991 C GLU A 63 -5.792 -8.424 -4.243 1.00 0.02 C ATOM 992 O GLU A 63 -6.949 -8.517 -3.833 1.00 33.23 O ATOM 993 CB GLU A 63 -4.289 -10.408 -3.903 1.00 12.22 C ATOM 994 CG GLU A 63 -3.394 -11.488 -4.504 1.00 44.33 C ATOM 995 CD GLU A 63 -4.168 -12.563 -5.250 1.00 23.34 C ATOM 996 OE1 GLU A 63 -4.435 -12.388 -6.458 1.00 1.32 O ATOM 997 OE2 GLU A 63 -4.509 -13.593 -4.635 1.00 52.33 O ATOM 0 H GLU A 63 -3.211 -9.301 -5.815 1.00 12.33 H new ATOM 0 HA GLU A 63 -5.862 -10.241 -5.388 1.00 72.21 H new ATOM 0 HB2 GLU A 63 -3.671 -9.717 -3.329 1.00 12.22 H new ATOM 0 HB3 GLU A 63 -4.981 -10.874 -3.202 1.00 12.22 H new ATOM 0 HG2 GLU A 63 -2.683 -11.023 -5.186 1.00 44.33 H new ATOM 0 HG3 GLU A 63 -2.814 -11.954 -3.708 1.00 44.33 H new ATOM 1004 N ASN A 64 -5.071 -7.311 -4.117 1.00 11.23 N ATOM 1005 CA ASN A 64 -5.548 -6.136 -3.376 1.00 13.53 C ATOM 1006 C ASN A 64 -5.947 -4.956 -4.288 1.00 62.15 C ATOM 1007 O ASN A 64 -6.265 -3.878 -3.794 1.00 61.23 O ATOM 1008 CB ASN A 64 -4.454 -5.683 -2.410 1.00 11.01 C ATOM 1009 CG ASN A 64 -3.947 -6.827 -1.556 1.00 74.30 C ATOM 1010 OD1 ASN A 64 -3.022 -7.536 -1.938 1.00 72.34 O ATOM 1011 ND2 ASN A 64 -4.540 -7.016 -0.397 1.00 4.32 N ATOM 0 H ASN A 64 -4.142 -7.195 -4.523 1.00 11.23 H new ATOM 0 HA ASN A 64 -6.450 -6.437 -2.842 1.00 13.53 H new ATOM 0 HB2 ASN A 64 -3.625 -5.256 -2.974 1.00 11.01 H new ATOM 0 HB3 ASN A 64 -4.842 -4.893 -1.766 1.00 11.01 H new ATOM 0 HD21 ASN A 64 -4.233 -7.772 0.216 1.00 4.32 H new ATOM 0 HD22 ASN A 64 -5.307 -6.407 -0.111 1.00 4.32 H new ATOM 1018 N ILE A 65 -5.929 -5.153 -5.606 1.00 54.10 N ATOM 1019 CA ILE A 65 -6.339 -4.095 -6.553 1.00 40.32 C ATOM 1020 C ILE A 65 -7.743 -3.548 -6.230 1.00 62.44 C ATOM 1021 O ILE A 65 -7.994 -2.345 -6.324 1.00 71.22 O ATOM 1022 CB ILE A 65 -6.314 -4.603 -8.023 1.00 31.11 C ATOM 1023 CG1 ILE A 65 -4.879 -4.953 -8.452 1.00 23.54 C ATOM 1024 CG2 ILE A 65 -6.925 -3.574 -8.978 1.00 32.41 C ATOM 1025 CD1 ILE A 65 -3.924 -3.775 -8.452 1.00 73.24 C ATOM 0 H ILE A 65 -5.639 -6.025 -6.048 1.00 54.10 H new ATOM 0 HA ILE A 65 -5.614 -3.288 -6.442 1.00 40.32 H new ATOM 0 HB ILE A 65 -6.921 -5.507 -8.073 1.00 31.11 H new ATOM 0 HG12 ILE A 65 -4.490 -5.722 -7.784 1.00 23.54 H new ATOM 0 HG13 ILE A 65 -4.906 -5.384 -9.453 1.00 23.54 H new ATOM 0 HG21 ILE A 65 -6.892 -3.959 -9.997 1.00 32.41 H new ATOM 0 HG22 ILE A 65 -7.960 -3.384 -8.695 1.00 32.41 H new ATOM 0 HG23 ILE A 65 -6.358 -2.645 -8.923 1.00 32.41 H new ATOM 0 HD11 ILE A 65 -2.935 -4.108 -8.766 1.00 73.24 H new ATOM 0 HD12 ILE A 65 -4.286 -3.013 -9.142 1.00 73.24 H new ATOM 0 HD13 ILE A 65 -3.863 -3.356 -7.448 1.00 73.24 H new ATOM 1037 N LYS A 66 -8.649 -4.439 -5.828 1.00 4.31 N ATOM 1038 CA LYS A 66 -10.024 -4.058 -5.469 1.00 1.32 C ATOM 1039 C LYS A 66 -10.073 -2.994 -4.351 1.00 42.21 C ATOM 1040 O LYS A 66 -11.099 -2.342 -4.155 1.00 63.11 O ATOM 1041 CB LYS A 66 -10.820 -5.301 -5.036 1.00 14.45 C ATOM 1042 CG LYS A 66 -10.175 -6.091 -3.897 1.00 51.51 C ATOM 1043 CD LYS A 66 -11.079 -7.226 -3.416 1.00 60.01 C ATOM 1044 CE LYS A 66 -10.437 -8.037 -2.292 1.00 64.50 C ATOM 1045 NZ LYS A 66 -9.274 -8.835 -2.766 1.00 2.34 N ATOM 0 H LYS A 66 -8.458 -5.437 -5.741 1.00 4.31 H new ATOM 0 HA LYS A 66 -10.474 -3.617 -6.358 1.00 1.32 H new ATOM 0 HB2 LYS A 66 -11.819 -4.991 -4.728 1.00 14.45 H new ATOM 0 HB3 LYS A 66 -10.942 -5.959 -5.896 1.00 14.45 H new ATOM 0 HG2 LYS A 66 -9.222 -6.501 -4.232 1.00 51.51 H new ATOM 0 HG3 LYS A 66 -9.959 -5.420 -3.065 1.00 51.51 H new ATOM 0 HD2 LYS A 66 -12.026 -6.812 -3.068 1.00 60.01 H new ATOM 0 HD3 LYS A 66 -11.308 -7.886 -4.253 1.00 60.01 H new ATOM 0 HE2 LYS A 66 -10.113 -7.363 -1.499 1.00 64.50 H new ATOM 0 HE3 LYS A 66 -11.181 -8.705 -1.858 1.00 64.50 H new ATOM 0 HZ1 LYS A 66 -8.924 -9.433 -1.990 1.00 2.34 H new ATOM 0 HZ2 LYS A 66 -9.567 -9.437 -3.562 1.00 2.34 H new ATOM 0 HZ3 LYS A 66 -8.517 -8.194 -3.078 1.00 2.34 H new ATOM 1059 N LEU A 67 -8.969 -2.816 -3.627 1.00 2.11 N ATOM 1060 CA LEU A 67 -8.914 -1.856 -2.517 1.00 34.33 C ATOM 1061 C LEU A 67 -8.710 -0.410 -3.007 1.00 61.04 C ATOM 1062 O LEU A 67 -9.086 0.544 -2.323 1.00 42.04 O ATOM 1063 CB LEU A 67 -7.787 -2.243 -1.548 1.00 24.31 C ATOM 1064 CG LEU A 67 -7.890 -3.662 -0.963 1.00 41.22 C ATOM 1065 CD1 LEU A 67 -6.731 -3.947 -0.011 1.00 13.04 C ATOM 1066 CD2 LEU A 67 -9.228 -3.859 -0.259 1.00 45.23 C ATOM 0 H LEU A 67 -8.098 -3.323 -3.787 1.00 2.11 H new ATOM 0 HA LEU A 67 -9.875 -1.894 -2.003 1.00 34.33 H new ATOM 0 HB2 LEU A 67 -6.833 -2.149 -2.068 1.00 24.31 H new ATOM 0 HB3 LEU A 67 -7.774 -1.528 -0.726 1.00 24.31 H new ATOM 0 HG LEU A 67 -7.830 -4.372 -1.788 1.00 41.22 H new ATOM 0 HD11 LEU A 67 -6.828 -4.957 0.388 1.00 13.04 H new ATOM 0 HD12 LEU A 67 -5.788 -3.859 -0.550 1.00 13.04 H new ATOM 0 HD13 LEU A 67 -6.749 -3.229 0.809 1.00 13.04 H new ATOM 0 HD21 LEU A 67 -9.280 -4.869 0.147 1.00 45.23 H new ATOM 0 HD22 LEU A 67 -9.323 -3.136 0.552 1.00 45.23 H new ATOM 0 HD23 LEU A 67 -10.039 -3.713 -0.972 1.00 45.23 H new ATOM 1078 N LEU A 68 -8.127 -0.256 -4.195 1.00 52.21 N ATOM 1079 CA LEU A 68 -7.816 1.071 -4.749 1.00 4.12 C ATOM 1080 C LEU A 68 -9.071 1.949 -4.890 1.00 14.30 C ATOM 1081 O LEU A 68 -9.038 3.147 -4.609 1.00 70.03 O ATOM 1082 CB LEU A 68 -7.129 0.918 -6.115 1.00 54.21 C ATOM 1083 CG LEU A 68 -5.767 0.200 -6.086 1.00 62.21 C ATOM 1084 CD1 LEU A 68 -5.225 0.010 -7.502 1.00 4.05 C ATOM 1085 CD2 LEU A 68 -4.768 0.975 -5.225 1.00 2.43 C ATOM 0 H LEU A 68 -7.858 -1.033 -4.798 1.00 52.21 H new ATOM 0 HA LEU A 68 -7.144 1.569 -4.050 1.00 4.12 H new ATOM 0 HB2 LEU A 68 -7.796 0.370 -6.780 1.00 54.21 H new ATOM 0 HB3 LEU A 68 -6.990 1.909 -6.547 1.00 54.21 H new ATOM 0 HG LEU A 68 -5.910 -0.785 -5.642 1.00 62.21 H new ATOM 0 HD11 LEU A 68 -4.262 -0.499 -7.458 1.00 4.05 H new ATOM 0 HD12 LEU A 68 -5.926 -0.589 -8.083 1.00 4.05 H new ATOM 0 HD13 LEU A 68 -5.099 0.983 -7.977 1.00 4.05 H new ATOM 0 HD21 LEU A 68 -3.812 0.452 -5.217 1.00 2.43 H new ATOM 0 HD22 LEU A 68 -4.631 1.975 -5.637 1.00 2.43 H new ATOM 0 HD23 LEU A 68 -5.148 1.052 -4.206 1.00 2.43 H new ATOM 1097 N LYS A 69 -10.179 1.341 -5.309 1.00 55.41 N ATOM 1098 CA LYS A 69 -11.430 2.076 -5.554 1.00 51.21 C ATOM 1099 C LYS A 69 -12.113 2.548 -4.253 1.00 3.31 C ATOM 1100 O LYS A 69 -13.047 3.354 -4.296 1.00 73.52 O ATOM 1101 CB LYS A 69 -12.400 1.198 -6.355 1.00 60.15 C ATOM 1102 CG LYS A 69 -12.771 -0.101 -5.646 1.00 65.44 C ATOM 1103 CD LYS A 69 -13.701 -0.974 -6.485 1.00 41.41 C ATOM 1104 CE LYS A 69 -14.022 -2.287 -5.782 1.00 3.40 C ATOM 1105 NZ LYS A 69 -14.923 -3.143 -6.595 1.00 65.33 N ATOM 0 H LYS A 69 -10.241 0.339 -5.488 1.00 55.41 H new ATOM 0 HA LYS A 69 -11.168 2.969 -6.122 1.00 51.21 H new ATOM 0 HB2 LYS A 69 -13.309 1.765 -6.557 1.00 60.15 H new ATOM 0 HB3 LYS A 69 -11.951 0.961 -7.320 1.00 60.15 H new ATOM 0 HG2 LYS A 69 -11.863 -0.658 -5.415 1.00 65.44 H new ATOM 0 HG3 LYS A 69 -13.253 0.131 -4.696 1.00 65.44 H new ATOM 0 HD2 LYS A 69 -14.625 -0.433 -6.687 1.00 41.41 H new ATOM 0 HD3 LYS A 69 -13.236 -1.181 -7.449 1.00 41.41 H new ATOM 0 HE2 LYS A 69 -13.097 -2.825 -5.577 1.00 3.40 H new ATOM 0 HE3 LYS A 69 -14.489 -2.079 -4.819 1.00 3.40 H new ATOM 0 HZ1 LYS A 69 -15.118 -4.027 -6.083 1.00 65.33 H new ATOM 0 HZ2 LYS A 69 -15.816 -2.640 -6.769 1.00 65.33 H new ATOM 0 HZ3 LYS A 69 -14.467 -3.363 -7.503 1.00 65.33 H new ATOM 1119 N LYS A 70 -11.649 2.051 -3.106 1.00 44.55 N ATOM 1120 CA LYS A 70 -12.262 2.385 -1.811 1.00 53.15 C ATOM 1121 C LYS A 70 -11.983 3.839 -1.397 1.00 65.43 C ATOM 1122 O LYS A 70 -12.833 4.495 -0.790 1.00 2.54 O ATOM 1123 CB LYS A 70 -11.751 1.441 -0.715 1.00 43.41 C ATOM 1124 CG LYS A 70 -12.112 -0.025 -0.936 1.00 61.02 C ATOM 1125 CD LYS A 70 -11.723 -0.890 0.263 1.00 44.12 C ATOM 1126 CE LYS A 70 -12.451 -0.455 1.533 1.00 40.23 C ATOM 1127 NZ LYS A 70 -12.127 -1.326 2.694 1.00 1.45 N ATOM 0 H LYS A 70 -10.853 1.417 -3.043 1.00 44.55 H new ATOM 0 HA LYS A 70 -13.339 2.265 -1.931 1.00 53.15 H new ATOM 0 HB2 LYS A 70 -10.667 1.531 -0.650 1.00 43.41 H new ATOM 0 HB3 LYS A 70 -12.156 1.763 0.244 1.00 43.41 H new ATOM 0 HG2 LYS A 70 -13.183 -0.113 -1.116 1.00 61.02 H new ATOM 0 HG3 LYS A 70 -11.608 -0.393 -1.829 1.00 61.02 H new ATOM 0 HD2 LYS A 70 -11.955 -1.933 0.050 1.00 44.12 H new ATOM 0 HD3 LYS A 70 -10.646 -0.829 0.422 1.00 44.12 H new ATOM 0 HE2 LYS A 70 -12.183 0.575 1.768 1.00 40.23 H new ATOM 0 HE3 LYS A 70 -13.527 -0.473 1.357 1.00 40.23 H new ATOM 0 HZ1 LYS A 70 -12.968 -1.426 3.298 1.00 1.45 H new ATOM 0 HZ2 LYS A 70 -11.832 -2.263 2.353 1.00 1.45 H new ATOM 0 HZ3 LYS A 70 -11.354 -0.899 3.244 1.00 1.45 H new ATOM 1141 N PHE A 71 -10.789 4.332 -1.715 1.00 4.44 N ATOM 1142 CA PHE A 71 -10.378 5.691 -1.334 1.00 54.43 C ATOM 1143 C PHE A 71 -10.091 6.574 -2.561 1.00 44.03 C ATOM 1144 O PHE A 71 -10.017 6.089 -3.694 1.00 72.31 O ATOM 1145 CB PHE A 71 -9.139 5.627 -0.423 1.00 0.03 C ATOM 1146 CG PHE A 71 -7.981 4.851 -1.011 1.00 0.44 C ATOM 1147 CD1 PHE A 71 -7.917 3.470 -0.880 1.00 43.24 C ATOM 1148 CD2 PHE A 71 -6.956 5.503 -1.683 1.00 44.43 C ATOM 1149 CE1 PHE A 71 -6.856 2.757 -1.407 1.00 71.10 C ATOM 1150 CE2 PHE A 71 -5.895 4.794 -2.213 1.00 44.34 C ATOM 1151 CZ PHE A 71 -5.844 3.420 -2.074 1.00 12.21 C ATOM 0 H PHE A 71 -10.083 3.813 -2.237 1.00 4.44 H new ATOM 0 HA PHE A 71 -11.207 6.148 -0.793 1.00 54.43 H new ATOM 0 HB2 PHE A 71 -8.809 6.643 -0.205 1.00 0.03 H new ATOM 0 HB3 PHE A 71 -9.422 5.173 0.527 1.00 0.03 H new ATOM 0 HD1 PHE A 71 -8.706 2.946 -0.360 1.00 43.24 H new ATOM 0 HD2 PHE A 71 -6.988 6.577 -1.793 1.00 44.43 H new ATOM 0 HE1 PHE A 71 -6.818 1.683 -1.297 1.00 71.10 H new ATOM 0 HE2 PHE A 71 -5.106 5.314 -2.736 1.00 44.34 H new ATOM 0 HZ PHE A 71 -5.014 2.865 -2.486 1.00 12.21 H new ATOM 1161 N ARG A 72 -9.941 7.876 -2.325 1.00 53.41 N ATOM 1162 CA ARG A 72 -9.598 8.832 -3.387 1.00 61.34 C ATOM 1163 C ARG A 72 -8.155 9.332 -3.224 1.00 33.22 C ATOM 1164 O ARG A 72 -7.588 9.284 -2.126 1.00 4.45 O ATOM 1165 CB ARG A 72 -10.548 10.037 -3.355 1.00 63.35 C ATOM 1166 CG ARG A 72 -12.028 9.683 -3.456 1.00 42.20 C ATOM 1167 CD ARG A 72 -12.905 10.919 -3.289 1.00 70.03 C ATOM 1168 NE ARG A 72 -14.329 10.605 -3.349 1.00 2.04 N ATOM 1169 CZ ARG A 72 -15.274 11.441 -3.025 1.00 72.43 C ATOM 1170 NH1 ARG A 72 -14.991 12.626 -2.592 1.00 71.21 N ATOM 1171 NH2 ARG A 72 -16.508 11.083 -3.135 1.00 40.44 N ATOM 0 H ARG A 72 -10.051 8.299 -1.404 1.00 53.41 H new ATOM 0 HA ARG A 72 -9.696 8.315 -4.342 1.00 61.34 H new ATOM 0 HB2 ARG A 72 -10.382 10.589 -2.430 1.00 63.35 H new ATOM 0 HB3 ARG A 72 -10.292 10.707 -4.176 1.00 63.35 H new ATOM 0 HG2 ARG A 72 -12.228 9.220 -4.422 1.00 42.20 H new ATOM 0 HG3 ARG A 72 -12.282 8.948 -2.692 1.00 42.20 H new ATOM 0 HD2 ARG A 72 -12.681 11.394 -2.334 1.00 70.03 H new ATOM 0 HD3 ARG A 72 -12.662 11.641 -4.069 1.00 70.03 H new ATOM 0 HE ARG A 72 -14.601 9.674 -3.664 1.00 2.04 H new ATOM 0 HH11 ARG A 72 -14.018 12.917 -2.500 1.00 71.21 H new ATOM 0 HH12 ARG A 72 -15.741 13.270 -2.342 1.00 71.21 H new ATOM 0 HH21 ARG A 72 -16.740 10.149 -3.474 1.00 40.44 H new ATOM 0 HH22 ARG A 72 -17.252 11.733 -2.883 1.00 40.44 H new ATOM 1185 N GLU A 73 -7.566 9.827 -4.309 1.00 43.11 N ATOM 1186 CA GLU A 73 -6.217 10.395 -4.251 1.00 31.15 C ATOM 1187 C GLU A 73 -6.225 11.722 -3.474 1.00 53.53 C ATOM 1188 O GLU A 73 -6.428 12.796 -4.044 1.00 54.42 O ATOM 1189 CB GLU A 73 -5.656 10.602 -5.665 1.00 2.21 C ATOM 1190 CG GLU A 73 -4.201 11.060 -5.689 1.00 44.34 C ATOM 1191 CD GLU A 73 -3.676 11.270 -7.098 1.00 5.33 C ATOM 1192 OE1 GLU A 73 -3.842 12.384 -7.638 1.00 61.35 O ATOM 1193 OE2 GLU A 73 -3.094 10.328 -7.671 1.00 3.32 O ATOM 0 H GLU A 73 -7.995 9.848 -5.234 1.00 43.11 H new ATOM 0 HA GLU A 73 -5.571 9.692 -3.726 1.00 31.15 H new ATOM 0 HB2 GLU A 73 -5.742 9.668 -6.220 1.00 2.21 H new ATOM 0 HB3 GLU A 73 -6.268 11.340 -6.184 1.00 2.21 H new ATOM 0 HG2 GLU A 73 -4.108 11.990 -5.129 1.00 44.34 H new ATOM 0 HG3 GLU A 73 -3.583 10.319 -5.182 1.00 44.34 H new ATOM 1200 N GLY A 74 -6.035 11.628 -2.162 1.00 44.35 N ATOM 1201 CA GLY A 74 -6.083 12.806 -1.299 1.00 35.44 C ATOM 1202 C GLY A 74 -6.598 12.488 0.103 1.00 43.51 C ATOM 1203 O GLY A 74 -6.337 13.228 1.051 1.00 11.20 O ATOM 0 H GLY A 74 -5.847 10.753 -1.673 1.00 44.35 H new ATOM 0 HA2 GLY A 74 -5.085 13.239 -1.226 1.00 35.44 H new ATOM 0 HA3 GLY A 74 -6.725 13.560 -1.755 1.00 35.44 H new ATOM 1207 N ASP A 75 -7.339 11.386 0.235 1.00 21.04 N ATOM 1208 CA ASP A 75 -7.840 10.945 1.542 1.00 22.24 C ATOM 1209 C ASP A 75 -6.728 10.288 2.376 1.00 22.14 C ATOM 1210 O ASP A 75 -5.582 10.182 1.943 1.00 24.15 O ATOM 1211 CB ASP A 75 -9.006 9.960 1.374 1.00 11.43 C ATOM 1212 CG ASP A 75 -10.183 10.558 0.627 1.00 41.25 C ATOM 1213 OD1 ASP A 75 -10.576 11.704 0.938 1.00 12.13 O ATOM 1214 OD2 ASP A 75 -10.735 9.877 -0.260 1.00 61.22 O ATOM 0 H ASP A 75 -7.606 10.783 -0.543 1.00 21.04 H new ATOM 0 HA ASP A 75 -8.192 11.831 2.070 1.00 22.24 H new ATOM 0 HB2 ASP A 75 -8.655 9.077 0.840 1.00 11.43 H new ATOM 0 HB3 ASP A 75 -9.338 9.627 2.357 1.00 11.43 H new ATOM 1219 N VAL A 76 -7.073 9.843 3.577 1.00 54.14 N ATOM 1220 CA VAL A 76 -6.115 9.172 4.458 1.00 61.03 C ATOM 1221 C VAL A 76 -6.488 7.697 4.641 1.00 73.14 C ATOM 1222 O VAL A 76 -7.654 7.367 4.848 1.00 54.15 O ATOM 1223 CB VAL A 76 -6.049 9.870 5.833 1.00 53.21 C ATOM 1224 CG1 VAL A 76 -4.975 9.239 6.720 1.00 31.22 C ATOM 1225 CG2 VAL A 76 -5.797 11.363 5.646 1.00 63.44 C ATOM 0 H VAL A 76 -8.011 9.933 3.968 1.00 54.14 H new ATOM 0 HA VAL A 76 -5.133 9.232 3.989 1.00 61.03 H new ATOM 0 HB VAL A 76 -7.007 9.738 6.336 1.00 53.21 H new ATOM 0 HG11 VAL A 76 -4.951 9.751 7.682 1.00 31.22 H new ATOM 0 HG12 VAL A 76 -5.205 8.185 6.875 1.00 31.22 H new ATOM 0 HG13 VAL A 76 -4.003 9.331 6.236 1.00 31.22 H new ATOM 0 HG21 VAL A 76 -5.752 11.849 6.621 1.00 63.44 H new ATOM 0 HG22 VAL A 76 -4.852 11.510 5.123 1.00 63.44 H new ATOM 0 HG23 VAL A 76 -6.607 11.798 5.061 1.00 63.44 H new ATOM 1235 N ILE A 77 -5.498 6.807 4.567 1.00 2.54 N ATOM 1236 CA ILE A 77 -5.765 5.366 4.650 1.00 44.54 C ATOM 1237 C ILE A 77 -4.886 4.663 5.691 1.00 22.31 C ATOM 1238 O ILE A 77 -3.872 5.192 6.151 1.00 0.31 O ATOM 1239 CB ILE A 77 -5.569 4.659 3.282 1.00 32.22 C ATOM 1240 CG1 ILE A 77 -4.125 4.843 2.776 1.00 30.32 C ATOM 1241 CG2 ILE A 77 -6.576 5.178 2.259 1.00 4.30 C ATOM 1242 CD1 ILE A 77 -3.829 4.120 1.476 1.00 14.34 C ATOM 0 H ILE A 77 -4.515 7.051 4.451 1.00 2.54 H new ATOM 0 HA ILE A 77 -6.808 5.286 4.956 1.00 44.54 H new ATOM 0 HB ILE A 77 -5.745 3.592 3.419 1.00 32.22 H new ATOM 0 HG12 ILE A 77 -3.932 5.907 2.640 1.00 30.32 H new ATOM 0 HG13 ILE A 77 -3.435 4.489 3.542 1.00 30.32 H new ATOM 0 HG21 ILE A 77 -6.422 4.670 1.307 1.00 4.30 H new ATOM 0 HG22 ILE A 77 -7.588 4.984 2.614 1.00 4.30 H new ATOM 0 HG23 ILE A 77 -6.438 6.251 2.124 1.00 4.30 H new ATOM 0 HD11 ILE A 77 -2.793 4.299 1.188 1.00 14.34 H new ATOM 0 HD12 ILE A 77 -3.988 3.050 1.610 1.00 14.34 H new ATOM 0 HD13 ILE A 77 -4.493 4.490 0.695 1.00 14.34 H new ATOM 1254 N ARG A 78 -5.303 3.453 6.043 1.00 54.03 N ATOM 1255 CA ARG A 78 -4.578 2.596 6.978 1.00 22.10 C ATOM 1256 C ARG A 78 -4.567 1.155 6.450 1.00 44.02 C ATOM 1257 O ARG A 78 -5.608 0.494 6.398 1.00 12.51 O ATOM 1258 CB ARG A 78 -5.253 2.656 8.355 1.00 24.45 C ATOM 1259 CG ARG A 78 -4.563 1.847 9.448 1.00 44.51 C ATOM 1260 CD ARG A 78 -5.369 1.889 10.744 1.00 24.43 C ATOM 1261 NE ARG A 78 -4.706 1.197 11.848 1.00 14.24 N ATOM 1262 CZ ARG A 78 -5.318 0.800 12.933 1.00 22.23 C ATOM 1263 NH1 ARG A 78 -6.600 0.933 13.060 1.00 2.51 N ATOM 1264 NH2 ARG A 78 -4.646 0.253 13.889 1.00 3.31 N ATOM 0 H ARG A 78 -6.161 3.034 5.685 1.00 54.03 H new ATOM 0 HA ARG A 78 -3.549 2.943 7.074 1.00 22.10 H new ATOM 0 HB2 ARG A 78 -5.304 3.697 8.673 1.00 24.45 H new ATOM 0 HB3 ARG A 78 -6.279 2.302 8.255 1.00 24.45 H new ATOM 0 HG2 ARG A 78 -4.444 0.814 9.122 1.00 44.51 H new ATOM 0 HG3 ARG A 78 -3.563 2.243 9.623 1.00 44.51 H new ATOM 0 HD2 ARG A 78 -5.543 2.928 11.025 1.00 24.43 H new ATOM 0 HD3 ARG A 78 -6.346 1.437 10.573 1.00 24.43 H new ATOM 0 HE ARG A 78 -3.706 1.013 11.767 1.00 14.24 H new ATOM 0 HH11 ARG A 78 -7.146 1.352 12.308 1.00 2.51 H new ATOM 0 HH12 ARG A 78 -7.063 0.618 13.912 1.00 2.51 H new ATOM 0 HH21 ARG A 78 -3.637 0.130 13.798 1.00 3.31 H new ATOM 0 HH22 ARG A 78 -5.123 -0.057 14.736 1.00 3.31 H new ATOM 1278 N ILE A 79 -3.395 0.675 6.053 1.00 54.41 N ATOM 1279 CA ILE A 79 -3.274 -0.657 5.451 1.00 2.31 C ATOM 1280 C ILE A 79 -3.034 -1.724 6.530 1.00 3.53 C ATOM 1281 O ILE A 79 -2.097 -1.624 7.319 1.00 52.34 O ATOM 1282 CB ILE A 79 -2.137 -0.702 4.402 1.00 14.23 C ATOM 1283 CG1 ILE A 79 -2.308 0.437 3.379 1.00 33.13 C ATOM 1284 CG2 ILE A 79 -2.119 -2.056 3.698 1.00 62.34 C ATOM 1285 CD1 ILE A 79 -1.220 0.487 2.328 1.00 61.23 C ATOM 0 H ILE A 79 -2.514 1.183 6.135 1.00 54.41 H new ATOM 0 HA ILE A 79 -4.215 -0.872 4.945 1.00 2.31 H new ATOM 0 HB ILE A 79 -1.184 -0.566 4.913 1.00 14.23 H new ATOM 0 HG12 ILE A 79 -3.273 0.325 2.884 1.00 33.13 H new ATOM 0 HG13 ILE A 79 -2.330 1.389 3.910 1.00 33.13 H new ATOM 0 HG21 ILE A 79 -1.314 -2.073 2.963 1.00 62.34 H new ATOM 0 HG22 ILE A 79 -1.957 -2.846 4.432 1.00 62.34 H new ATOM 0 HG23 ILE A 79 -3.073 -2.218 3.196 1.00 62.34 H new ATOM 0 HD11 ILE A 79 -1.411 1.315 1.646 1.00 61.23 H new ATOM 0 HD12 ILE A 79 -0.254 0.631 2.811 1.00 61.23 H new ATOM 0 HD13 ILE A 79 -1.211 -0.449 1.769 1.00 61.23 H new ATOM 1297 N LYS A 80 -3.879 -2.747 6.550 1.00 22.23 N ATOM 1298 CA LYS A 80 -3.903 -3.710 7.654 1.00 35.22 C ATOM 1299 C LYS A 80 -3.037 -4.956 7.381 1.00 33.04 C ATOM 1300 O LYS A 80 -3.292 -5.716 6.443 1.00 54.24 O ATOM 1301 CB LYS A 80 -5.356 -4.118 7.936 1.00 74.34 C ATOM 1302 CG LYS A 80 -5.543 -4.880 9.244 1.00 65.43 C ATOM 1303 CD LYS A 80 -7.014 -5.171 9.530 1.00 22.21 C ATOM 1304 CE LYS A 80 -7.844 -3.892 9.620 1.00 42.44 C ATOM 1305 NZ LYS A 80 -7.395 -3.003 10.725 1.00 11.35 N ATOM 0 H LYS A 80 -4.560 -2.935 5.814 1.00 22.23 H new ATOM 0 HA LYS A 80 -3.472 -3.222 8.528 1.00 35.22 H new ATOM 0 HB2 LYS A 80 -5.977 -3.222 7.957 1.00 74.34 H new ATOM 0 HB3 LYS A 80 -5.716 -4.736 7.113 1.00 74.34 H new ATOM 0 HG2 LYS A 80 -4.990 -5.818 9.200 1.00 65.43 H new ATOM 0 HG3 LYS A 80 -5.122 -4.300 10.065 1.00 65.43 H new ATOM 0 HD2 LYS A 80 -7.417 -5.810 8.744 1.00 22.21 H new ATOM 0 HD3 LYS A 80 -7.099 -5.725 10.465 1.00 22.21 H new ATOM 0 HE2 LYS A 80 -7.780 -3.353 8.675 1.00 42.44 H new ATOM 0 HE3 LYS A 80 -8.892 -4.152 9.769 1.00 42.44 H new ATOM 0 HZ1 LYS A 80 -8.019 -2.173 10.778 1.00 11.35 H new ATOM 0 HZ2 LYS A 80 -7.432 -3.522 11.625 1.00 11.35 H new ATOM 0 HZ3 LYS A 80 -6.419 -2.691 10.545 1.00 11.35 H new ATOM 1319 N ASP A 81 -2.017 -5.142 8.227 1.00 51.01 N ATOM 1320 CA ASP A 81 -1.145 -6.328 8.209 1.00 50.14 C ATOM 1321 C ASP A 81 -0.461 -6.570 6.845 1.00 44.44 C ATOM 1322 O ASP A 81 -0.965 -7.326 6.009 1.00 64.12 O ATOM 1323 CB ASP A 81 -1.943 -7.564 8.641 1.00 23.41 C ATOM 1324 CG ASP A 81 -2.451 -7.448 10.069 1.00 25.13 C ATOM 1325 OD1 ASP A 81 -1.617 -7.334 10.992 1.00 64.45 O ATOM 1326 OD2 ASP A 81 -3.685 -7.464 10.278 1.00 43.41 O ATOM 0 H ASP A 81 -1.769 -4.468 8.952 1.00 51.01 H new ATOM 0 HA ASP A 81 -0.339 -6.139 8.918 1.00 50.14 H new ATOM 0 HB2 ASP A 81 -2.788 -7.703 7.967 1.00 23.41 H new ATOM 0 HB3 ASP A 81 -1.314 -8.450 8.551 1.00 23.41 H new ATOM 1331 N VAL A 82 0.695 -5.931 6.631 1.00 72.43 N ATOM 1332 CA VAL A 82 1.477 -6.112 5.393 1.00 72.11 C ATOM 1333 C VAL A 82 2.956 -6.421 5.684 1.00 32.32 C ATOM 1334 O VAL A 82 3.401 -6.370 6.833 1.00 61.13 O ATOM 1335 CB VAL A 82 1.405 -4.860 4.484 1.00 63.11 C ATOM 1336 CG1 VAL A 82 -0.002 -4.677 3.933 1.00 22.12 C ATOM 1337 CG2 VAL A 82 1.858 -3.613 5.243 1.00 64.41 C ATOM 0 H VAL A 82 1.114 -5.282 7.297 1.00 72.43 H new ATOM 0 HA VAL A 82 1.029 -6.962 4.879 1.00 72.11 H new ATOM 0 HB VAL A 82 2.083 -5.009 3.643 1.00 63.11 H new ATOM 0 HG11 VAL A 82 -0.031 -3.792 3.297 1.00 22.12 H new ATOM 0 HG12 VAL A 82 -0.281 -5.554 3.348 1.00 22.12 H new ATOM 0 HG13 VAL A 82 -0.703 -4.554 4.759 1.00 22.12 H new ATOM 0 HG21 VAL A 82 1.799 -2.746 4.586 1.00 64.41 H new ATOM 0 HG22 VAL A 82 1.212 -3.458 6.107 1.00 64.41 H new ATOM 0 HG23 VAL A 82 2.887 -3.745 5.579 1.00 64.41 H new ATOM 1347 N ASN A 83 3.714 -6.741 4.633 1.00 72.33 N ATOM 1348 CA ASN A 83 5.149 -7.032 4.767 1.00 3.11 C ATOM 1349 C ASN A 83 6.005 -5.864 4.256 1.00 63.33 C ATOM 1350 O ASN A 83 5.928 -5.487 3.084 1.00 13.51 O ATOM 1351 CB ASN A 83 5.511 -8.312 4.000 1.00 73.21 C ATOM 1352 CG ASN A 83 4.805 -9.547 4.535 1.00 52.42 C ATOM 1353 OD1 ASN A 83 4.551 -10.496 3.804 1.00 41.54 O ATOM 1354 ND2 ASN A 83 4.479 -9.549 5.813 1.00 4.23 N ATOM 0 H ASN A 83 3.361 -6.806 3.678 1.00 72.33 H new ATOM 0 HA ASN A 83 5.359 -7.175 5.827 1.00 3.11 H new ATOM 0 HB2 ASN A 83 5.257 -8.182 2.948 1.00 73.21 H new ATOM 0 HB3 ASN A 83 6.589 -8.466 4.051 1.00 73.21 H new ATOM 0 HD21 ASN A 83 4.002 -10.356 6.217 1.00 4.23 H new ATOM 0 HD22 ASN A 83 4.703 -8.744 6.398 1.00 4.23 H new ATOM 1361 N ILE A 84 6.820 -5.299 5.141 1.00 71.24 N ATOM 1362 CA ILE A 84 7.710 -4.193 4.779 1.00 50.32 C ATOM 1363 C ILE A 84 9.024 -4.712 4.178 1.00 14.04 C ATOM 1364 O ILE A 84 9.818 -5.357 4.862 1.00 34.43 O ATOM 1365 CB ILE A 84 8.033 -3.309 6.012 1.00 63.05 C ATOM 1366 CG1 ILE A 84 6.739 -2.789 6.658 1.00 60.34 C ATOM 1367 CG2 ILE A 84 8.951 -2.148 5.625 1.00 74.23 C ATOM 1368 CD1 ILE A 84 5.886 -1.945 5.733 1.00 50.33 C ATOM 0 H ILE A 84 6.885 -5.587 6.117 1.00 71.24 H new ATOM 0 HA ILE A 84 7.187 -3.594 4.034 1.00 50.32 H new ATOM 0 HB ILE A 84 8.558 -3.924 6.743 1.00 63.05 H new ATOM 0 HG12 ILE A 84 6.151 -3.639 7.004 1.00 60.34 H new ATOM 0 HG13 ILE A 84 6.996 -2.199 7.538 1.00 60.34 H new ATOM 0 HG21 ILE A 84 9.163 -1.543 6.506 1.00 74.23 H new ATOM 0 HG22 ILE A 84 9.884 -2.541 5.221 1.00 74.23 H new ATOM 0 HG23 ILE A 84 8.461 -1.532 4.871 1.00 74.23 H new ATOM 0 HD11 ILE A 84 4.991 -1.616 6.262 1.00 50.33 H new ATOM 0 HD12 ILE A 84 6.455 -1.075 5.406 1.00 50.33 H new ATOM 0 HD13 ILE A 84 5.597 -2.536 4.864 1.00 50.33 H new ATOM 1380 N ARG A 85 9.246 -4.441 2.894 1.00 43.51 N ATOM 1381 CA ARG A 85 10.503 -4.814 2.231 1.00 54.13 C ATOM 1382 C ARG A 85 11.610 -3.794 2.534 1.00 30.14 C ATOM 1383 O ARG A 85 12.754 -4.163 2.794 1.00 61.04 O ATOM 1384 CB ARG A 85 10.297 -4.941 0.715 1.00 65.10 C ATOM 1385 CG ARG A 85 9.460 -6.149 0.299 1.00 33.14 C ATOM 1386 CD ARG A 85 10.146 -7.460 0.665 1.00 63.52 C ATOM 1387 NE ARG A 85 11.515 -7.512 0.153 1.00 51.14 N ATOM 1388 CZ ARG A 85 12.486 -8.185 0.706 1.00 32.14 C ATOM 1389 NH1 ARG A 85 12.280 -8.881 1.774 1.00 4.22 N ATOM 1390 NH2 ARG A 85 13.668 -8.156 0.186 1.00 51.12 N ATOM 0 H ARG A 85 8.576 -3.966 2.289 1.00 43.51 H new ATOM 0 HA ARG A 85 10.814 -5.782 2.624 1.00 54.13 H new ATOM 0 HB2 ARG A 85 9.816 -4.035 0.347 1.00 65.10 H new ATOM 0 HB3 ARG A 85 11.271 -5.003 0.231 1.00 65.10 H new ATOM 0 HG2 ARG A 85 8.485 -6.101 0.783 1.00 33.14 H new ATOM 0 HG3 ARG A 85 9.284 -6.118 -0.776 1.00 33.14 H new ATOM 0 HD2 ARG A 85 10.158 -7.575 1.749 1.00 63.52 H new ATOM 0 HD3 ARG A 85 9.574 -8.296 0.262 1.00 63.52 H new ATOM 0 HE ARG A 85 11.725 -6.986 -0.695 1.00 51.14 H new ATOM 0 HH11 ARG A 85 11.351 -8.908 2.194 1.00 4.22 H new ATOM 0 HH12 ARG A 85 13.047 -9.403 2.198 1.00 4.22 H new ATOM 0 HH21 ARG A 85 13.841 -7.607 -0.656 1.00 51.12 H new ATOM 0 HH22 ARG A 85 14.428 -8.682 0.618 1.00 51.12 H new ATOM 1404 N GLY A 86 11.257 -2.511 2.494 1.00 21.14 N ATOM 1405 CA GLY A 86 12.195 -1.451 2.856 1.00 21.33 C ATOM 1406 C GLY A 86 13.461 -1.418 2.004 1.00 64.21 C ATOM 1407 O GLY A 86 14.573 -1.353 2.536 1.00 14.42 O ATOM 0 H GLY A 86 10.333 -2.181 2.216 1.00 21.14 H new ATOM 0 HA2 GLY A 86 11.689 -0.489 2.772 1.00 21.33 H new ATOM 0 HA3 GLY A 86 12.477 -1.573 3.902 1.00 21.33 H new ATOM 1411 N GLY A 87 13.302 -1.440 0.683 1.00 11.20 N ATOM 1412 CA GLY A 87 14.464 -1.413 -0.197 1.00 32.02 C ATOM 1413 C GLY A 87 14.121 -1.241 -1.676 1.00 41.14 C ATOM 1414 O GLY A 87 14.350 -2.148 -2.479 1.00 3.32 O ATOM 0 H GLY A 87 12.400 -1.476 0.208 1.00 11.20 H new ATOM 0 HA2 GLY A 87 15.120 -0.599 0.110 1.00 32.02 H new ATOM 0 HA3 GLY A 87 15.024 -2.339 -0.070 1.00 32.02 H new ATOM 1418 N PHE A 88 13.584 -0.078 -2.043 1.00 50.04 N ATOM 1419 CA PHE A 88 13.290 0.231 -3.451 1.00 0.52 C ATOM 1420 C PHE A 88 13.946 1.559 -3.858 1.00 33.22 C ATOM 1421 O PHE A 88 13.354 2.630 -3.716 1.00 51.30 O ATOM 1422 CB PHE A 88 11.770 0.285 -3.686 1.00 72.41 C ATOM 1423 CG PHE A 88 11.378 0.399 -5.140 1.00 75.10 C ATOM 1424 CD1 PHE A 88 11.348 -0.727 -5.952 1.00 53.03 C ATOM 1425 CD2 PHE A 88 11.040 1.627 -5.697 1.00 71.25 C ATOM 1426 CE1 PHE A 88 10.991 -0.630 -7.283 1.00 71.23 C ATOM 1427 CE2 PHE A 88 10.683 1.725 -7.029 1.00 60.35 C ATOM 1428 CZ PHE A 88 10.658 0.595 -7.822 1.00 64.34 C ATOM 0 H PHE A 88 13.342 0.667 -1.390 1.00 50.04 H new ATOM 0 HA PHE A 88 13.705 -0.563 -4.072 1.00 0.52 H new ATOM 0 HB2 PHE A 88 11.316 -0.613 -3.267 1.00 72.41 H new ATOM 0 HB3 PHE A 88 11.358 1.135 -3.141 1.00 72.41 H new ATOM 0 HD1 PHE A 88 11.607 -1.690 -5.538 1.00 53.03 H new ATOM 0 HD2 PHE A 88 11.056 2.515 -5.082 1.00 71.25 H new ATOM 0 HE1 PHE A 88 10.973 -1.515 -7.902 1.00 71.23 H new ATOM 0 HE2 PHE A 88 10.424 2.685 -7.449 1.00 60.35 H new ATOM 0 HZ PHE A 88 10.378 0.670 -8.862 1.00 64.34 H new ATOM 1438 N GLY A 89 15.187 1.489 -4.338 1.00 55.02 N ATOM 1439 CA GLY A 89 15.922 2.697 -4.706 1.00 34.14 C ATOM 1440 C GLY A 89 16.503 3.440 -3.501 1.00 14.52 C ATOM 1441 O GLY A 89 17.678 3.814 -3.501 1.00 65.43 O ATOM 0 H GLY A 89 15.699 0.619 -4.480 1.00 55.02 H new ATOM 0 HA2 GLY A 89 16.732 2.429 -5.384 1.00 34.14 H new ATOM 0 HA3 GLY A 89 15.257 3.367 -5.252 1.00 34.14 H new ATOM 1445 N GLY A 90 15.677 3.675 -2.482 1.00 13.21 N ATOM 1446 CA GLY A 90 16.144 4.334 -1.265 1.00 54.32 C ATOM 1447 C GLY A 90 15.120 4.288 -0.134 1.00 60.43 C ATOM 1448 O GLY A 90 15.462 4.016 1.019 1.00 11.35 O ATOM 0 H GLY A 90 14.689 3.421 -2.475 1.00 13.21 H new ATOM 0 HA2 GLY A 90 17.067 3.859 -0.932 1.00 54.32 H new ATOM 0 HA3 GLY A 90 16.383 5.373 -1.490 1.00 54.32 H new ATOM 1452 N ARG A 91 13.857 4.548 -0.461 1.00 15.14 N ATOM 1453 CA ARG A 91 12.784 4.569 0.539 1.00 20.02 C ATOM 1454 C ARG A 91 12.143 3.191 0.748 1.00 23.45 C ATOM 1455 O ARG A 91 12.430 2.226 0.030 1.00 54.50 O ATOM 1456 CB ARG A 91 11.725 5.613 0.157 1.00 15.30 C ATOM 1457 CG ARG A 91 12.238 7.043 0.318 1.00 54.31 C ATOM 1458 CD ARG A 91 11.164 8.093 0.064 1.00 61.44 C ATOM 1459 NE ARG A 91 11.650 9.434 0.396 1.00 1.41 N ATOM 1460 CZ ARG A 91 10.887 10.465 0.624 1.00 0.34 C ATOM 1461 NH1 ARG A 91 9.605 10.382 0.489 1.00 4.12 N ATOM 1462 NH2 ARG A 91 11.411 11.594 0.972 1.00 71.34 N ATOM 0 H ARG A 91 13.547 4.748 -1.412 1.00 15.14 H new ATOM 0 HA ARG A 91 13.235 4.848 1.491 1.00 20.02 H new ATOM 0 HB2 ARG A 91 11.417 5.454 -0.876 1.00 15.30 H new ATOM 0 HB3 ARG A 91 10.840 5.474 0.778 1.00 15.30 H new ATOM 0 HG2 ARG A 91 12.632 7.170 1.326 1.00 54.31 H new ATOM 0 HG3 ARG A 91 13.067 7.205 -0.371 1.00 54.31 H new ATOM 0 HD2 ARG A 91 10.860 8.061 -0.982 1.00 61.44 H new ATOM 0 HD3 ARG A 91 10.280 7.865 0.660 1.00 61.44 H new ATOM 0 HE ARG A 91 12.659 9.571 0.453 1.00 1.41 H new ATOM 0 HH11 ARG A 91 9.178 9.501 0.201 1.00 4.12 H new ATOM 0 HH12 ARG A 91 9.019 11.197 0.671 1.00 4.12 H new ATOM 0 HH21 ARG A 91 12.423 11.678 1.068 1.00 71.34 H new ATOM 0 HH22 ARG A 91 10.813 12.401 1.150 1.00 71.34 H new ATOM 1476 N LYS A 92 11.275 3.109 1.754 1.00 21.44 N ATOM 1477 CA LYS A 92 10.661 1.842 2.148 1.00 31.43 C ATOM 1478 C LYS A 92 9.376 1.550 1.357 1.00 12.02 C ATOM 1479 O LYS A 92 8.834 2.416 0.666 1.00 24.52 O ATOM 1480 CB LYS A 92 10.370 1.845 3.657 1.00 55.10 C ATOM 1481 CG LYS A 92 11.598 2.143 4.516 1.00 63.50 C ATOM 1482 CD LYS A 92 11.292 2.061 6.011 1.00 74.00 C ATOM 1483 CE LYS A 92 12.523 2.384 6.851 1.00 70.22 C ATOM 1484 NZ LYS A 92 12.254 2.267 8.309 1.00 31.30 N ATOM 0 H LYS A 92 10.980 3.909 2.314 1.00 21.44 H new ATOM 0 HA LYS A 92 11.370 1.047 1.916 1.00 31.43 H new ATOM 0 HB2 LYS A 92 9.600 2.587 3.869 1.00 55.10 H new ATOM 0 HB3 LYS A 92 9.964 0.874 3.942 1.00 55.10 H new ATOM 0 HG2 LYS A 92 12.391 1.437 4.270 1.00 63.50 H new ATOM 0 HG3 LYS A 92 11.973 3.138 4.278 1.00 63.50 H new ATOM 0 HD2 LYS A 92 10.489 2.756 6.258 1.00 74.00 H new ATOM 0 HD3 LYS A 92 10.935 1.061 6.256 1.00 74.00 H new ATOM 0 HE2 LYS A 92 13.335 1.710 6.578 1.00 70.22 H new ATOM 0 HE3 LYS A 92 12.860 3.396 6.625 1.00 70.22 H new ATOM 0 HZ1 LYS A 92 13.113 2.512 8.841 1.00 31.30 H new ATOM 0 HZ2 LYS A 92 11.486 2.916 8.574 1.00 31.30 H new ATOM 0 HZ3 LYS A 92 11.974 1.291 8.533 1.00 31.30 H new ATOM 1498 N GLU A 93 8.885 0.323 1.488 1.00 21.44 N ATOM 1499 CA GLU A 93 7.721 -0.135 0.727 1.00 44.52 C ATOM 1500 C GLU A 93 6.939 -1.216 1.490 1.00 30.51 C ATOM 1501 O GLU A 93 7.522 -2.021 2.226 1.00 13.51 O ATOM 1502 CB GLU A 93 8.177 -0.686 -0.629 1.00 71.32 C ATOM 1503 CG GLU A 93 9.141 -1.857 -0.504 1.00 4.41 C ATOM 1504 CD GLU A 93 9.612 -2.383 -1.847 1.00 50.50 C ATOM 1505 OE1 GLU A 93 8.755 -2.752 -2.674 1.00 63.01 O ATOM 1506 OE2 GLU A 93 10.835 -2.440 -2.072 1.00 11.35 O ATOM 0 H GLU A 93 9.275 -0.379 2.117 1.00 21.44 H new ATOM 0 HA GLU A 93 7.058 0.717 0.577 1.00 44.52 H new ATOM 0 HB2 GLU A 93 7.303 -1.002 -1.199 1.00 71.32 H new ATOM 0 HB3 GLU A 93 8.656 0.112 -1.196 1.00 71.32 H new ATOM 0 HG2 GLU A 93 10.006 -1.547 0.082 1.00 4.41 H new ATOM 0 HG3 GLU A 93 8.655 -2.663 0.046 1.00 4.41 H new ATOM 1513 N ALA A 94 5.621 -1.234 1.303 1.00 70.31 N ATOM 1514 CA ALA A 94 4.745 -2.204 1.972 1.00 51.12 C ATOM 1515 C ALA A 94 4.002 -3.077 0.950 1.00 15.01 C ATOM 1516 O ALA A 94 3.221 -2.572 0.147 1.00 64.44 O ATOM 1517 CB ALA A 94 3.745 -1.475 2.867 1.00 64.14 C ATOM 0 H ALA A 94 5.130 -0.584 0.689 1.00 70.31 H new ATOM 0 HA ALA A 94 5.366 -2.857 2.585 1.00 51.12 H new ATOM 0 HB1 ALA A 94 3.099 -2.202 3.359 1.00 64.14 H new ATOM 0 HB2 ALA A 94 4.283 -0.899 3.620 1.00 64.14 H new ATOM 0 HB3 ALA A 94 3.138 -0.802 2.261 1.00 64.14 H new ATOM 1523 N HIS A 95 4.249 -4.385 0.988 1.00 74.13 N ATOM 1524 CA HIS A 95 3.602 -5.328 0.063 1.00 73.12 C ATOM 1525 C HIS A 95 2.334 -5.922 0.675 1.00 23.42 C ATOM 1526 O HIS A 95 2.374 -6.541 1.744 1.00 51.30 O ATOM 1527 CB HIS A 95 4.565 -6.457 -0.322 1.00 74.14 C ATOM 1528 CG HIS A 95 5.592 -6.050 -1.333 1.00 74.10 C ATOM 1529 ND1 HIS A 95 5.655 -6.653 -2.563 1.00 60.33 N ATOM 1530 CD2 HIS A 95 6.565 -5.113 -1.249 1.00 21.40 C ATOM 1531 CE1 HIS A 95 6.658 -6.076 -3.198 1.00 71.24 C ATOM 1532 NE2 HIS A 95 7.239 -5.137 -2.442 1.00 20.12 N ATOM 0 H HIS A 95 4.892 -4.821 1.648 1.00 74.13 H new ATOM 0 HA HIS A 95 3.328 -4.771 -0.833 1.00 73.12 H new ATOM 0 HB2 HIS A 95 5.072 -6.813 0.575 1.00 74.14 H new ATOM 0 HB3 HIS A 95 3.990 -7.295 -0.717 1.00 74.14 H new ATOM 0 HD2 HIS A 95 6.770 -4.471 -0.405 1.00 21.40 H new ATOM 0 HE1 HIS A 95 6.970 -6.329 -4.200 1.00 71.24 H new ATOM 0 HE2 HIS A 95 8.032 -4.551 -2.704 1.00 20.12 H new ATOM 1540 N LEU A 96 1.212 -5.734 -0.012 1.00 25.42 N ATOM 1541 CA LEU A 96 -0.077 -6.244 0.456 1.00 40.44 C ATOM 1542 C LEU A 96 -0.278 -7.720 0.067 1.00 62.33 C ATOM 1543 O LEU A 96 0.037 -8.137 -1.050 1.00 23.55 O ATOM 1544 CB LEU A 96 -1.229 -5.391 -0.100 1.00 41.24 C ATOM 1545 CG LEU A 96 -1.473 -4.049 0.619 1.00 52.20 C ATOM 1546 CD1 LEU A 96 -0.323 -3.073 0.382 1.00 11.44 C ATOM 1547 CD2 LEU A 96 -2.804 -3.438 0.186 1.00 3.34 C ATOM 0 H LEU A 96 1.167 -5.231 -0.898 1.00 25.42 H new ATOM 0 HA LEU A 96 -0.078 -6.180 1.544 1.00 40.44 H new ATOM 0 HB2 LEU A 96 -1.031 -5.188 -1.153 1.00 41.24 H new ATOM 0 HB3 LEU A 96 -2.146 -5.978 -0.055 1.00 41.24 H new ATOM 0 HG LEU A 96 -1.520 -4.249 1.689 1.00 52.20 H new ATOM 0 HD11 LEU A 96 -0.527 -2.137 0.903 1.00 11.44 H new ATOM 0 HD12 LEU A 96 0.604 -3.504 0.760 1.00 11.44 H new ATOM 0 HD13 LEU A 96 -0.224 -2.880 -0.686 1.00 11.44 H new ATOM 0 HD21 LEU A 96 -2.956 -2.492 0.705 1.00 3.34 H new ATOM 0 HD22 LEU A 96 -2.791 -3.263 -0.890 1.00 3.34 H new ATOM 0 HD23 LEU A 96 -3.616 -4.122 0.433 1.00 3.34 H new ATOM 1559 N MET A 97 -0.801 -8.499 1.005 1.00 42.22 N ATOM 1560 CA MET A 97 -1.105 -9.918 0.790 1.00 74.33 C ATOM 1561 C MET A 97 -2.621 -10.125 0.606 1.00 22.34 C ATOM 1562 O MET A 97 -3.405 -9.231 0.913 1.00 53.15 O ATOM 1563 CB MET A 97 -0.585 -10.724 1.990 1.00 2.51 C ATOM 1564 CG MET A 97 0.937 -10.774 2.082 1.00 4.11 C ATOM 1565 SD MET A 97 1.518 -11.378 3.680 1.00 21.44 S ATOM 1566 CE MET A 97 1.053 -10.015 4.747 1.00 42.14 C ATOM 0 H MET A 97 -1.029 -8.168 1.942 1.00 42.22 H new ATOM 0 HA MET A 97 -0.613 -10.265 -0.119 1.00 74.33 H new ATOM 0 HB2 MET A 97 -0.982 -10.289 2.908 1.00 2.51 H new ATOM 0 HB3 MET A 97 -0.970 -11.742 1.927 1.00 2.51 H new ATOM 0 HG2 MET A 97 1.324 -11.418 1.292 1.00 4.11 H new ATOM 0 HG3 MET A 97 1.341 -9.777 1.906 1.00 4.11 H new ATOM 0 HE1 MET A 97 1.818 -9.873 5.510 1.00 42.14 H new ATOM 0 HE2 MET A 97 0.958 -9.105 4.154 1.00 42.14 H new ATOM 0 HE3 MET A 97 0.100 -10.237 5.226 1.00 42.14 H new ATOM 1576 N PRO A 98 -3.070 -11.303 0.112 1.00 33.35 N ATOM 1577 CA PRO A 98 -4.509 -11.580 -0.107 1.00 63.42 C ATOM 1578 C PRO A 98 -5.401 -11.283 1.123 1.00 65.13 C ATOM 1579 O PRO A 98 -6.602 -11.042 0.982 1.00 20.34 O ATOM 1580 CB PRO A 98 -4.545 -13.083 -0.462 1.00 42.11 C ATOM 1581 CG PRO A 98 -3.181 -13.608 -0.138 1.00 5.33 C ATOM 1582 CD PRO A 98 -2.239 -12.448 -0.297 1.00 74.04 C ATOM 0 HA PRO A 98 -4.914 -10.932 -0.884 1.00 63.42 H new ATOM 0 HB2 PRO A 98 -5.311 -13.603 0.113 1.00 42.11 H new ATOM 0 HB3 PRO A 98 -4.781 -13.231 -1.516 1.00 42.11 H new ATOM 0 HG2 PRO A 98 -3.146 -14.002 0.878 1.00 5.33 H new ATOM 0 HG3 PRO A 98 -2.909 -14.425 -0.806 1.00 5.33 H new ATOM 0 HD2 PRO A 98 -1.356 -12.554 0.333 1.00 74.04 H new ATOM 0 HD3 PRO A 98 -1.888 -12.348 -1.324 1.00 74.04 H new ATOM 1590 N ARG A 99 -4.812 -11.300 2.322 1.00 20.42 N ATOM 1591 CA ARG A 99 -5.553 -11.004 3.562 1.00 51.40 C ATOM 1592 C ARG A 99 -5.561 -9.494 3.887 1.00 1.34 C ATOM 1593 O ARG A 99 -6.421 -9.014 4.627 1.00 43.24 O ATOM 1594 CB ARG A 99 -4.937 -11.762 4.744 1.00 5.23 C ATOM 1595 CG ARG A 99 -4.910 -13.279 4.574 1.00 34.15 C ATOM 1596 CD ARG A 99 -4.225 -13.958 5.757 1.00 23.54 C ATOM 1597 NE ARG A 99 -4.190 -15.411 5.618 1.00 71.12 N ATOM 1598 CZ ARG A 99 -3.389 -16.195 6.291 1.00 23.33 C ATOM 1599 NH1 ARG A 99 -2.517 -15.704 7.116 1.00 15.03 N ATOM 1600 NH2 ARG A 99 -3.455 -17.475 6.132 1.00 72.11 N ATOM 0 H ARG A 99 -3.825 -11.515 2.465 1.00 20.42 H new ATOM 0 HA ARG A 99 -6.582 -11.327 3.401 1.00 51.40 H new ATOM 0 HB2 ARG A 99 -3.918 -11.407 4.896 1.00 5.23 H new ATOM 0 HB3 ARG A 99 -5.497 -11.520 5.647 1.00 5.23 H new ATOM 0 HG2 ARG A 99 -5.929 -13.654 4.477 1.00 34.15 H new ATOM 0 HG3 ARG A 99 -4.387 -13.534 3.653 1.00 34.15 H new ATOM 0 HD2 ARG A 99 -3.207 -13.580 5.851 1.00 23.54 H new ATOM 0 HD3 ARG A 99 -4.748 -13.696 6.676 1.00 23.54 H new ATOM 0 HE ARG A 99 -4.832 -15.842 4.953 1.00 71.12 H new ATOM 0 HH11 ARG A 99 -2.450 -14.695 7.246 1.00 15.03 H new ATOM 0 HH12 ARG A 99 -1.898 -16.327 7.635 1.00 15.03 H new ATOM 0 HH21 ARG A 99 -4.132 -17.874 5.482 1.00 72.11 H new ATOM 0 HH22 ARG A 99 -2.830 -18.087 6.657 1.00 72.11 H new ATOM 1614 N SER A 100 -4.604 -8.760 3.324 1.00 64.45 N ATOM 1615 CA SER A 100 -4.418 -7.332 3.630 1.00 51.24 C ATOM 1616 C SER A 100 -5.594 -6.467 3.151 1.00 53.50 C ATOM 1617 O SER A 100 -5.868 -6.374 1.952 1.00 4.33 O ATOM 1618 CB SER A 100 -3.123 -6.816 2.988 1.00 54.25 C ATOM 1619 OG SER A 100 -1.994 -7.568 3.412 1.00 32.35 O ATOM 0 H SER A 100 -3.937 -9.129 2.647 1.00 64.45 H new ATOM 0 HA SER A 100 -4.362 -7.250 4.716 1.00 51.24 H new ATOM 0 HB2 SER A 100 -3.209 -6.867 1.903 1.00 54.25 H new ATOM 0 HB3 SER A 100 -2.980 -5.767 3.247 1.00 54.25 H new ATOM 0 HG SER A 100 -1.785 -7.347 4.344 1.00 32.35 H new ATOM 1625 N THR A 101 -6.276 -5.829 4.098 1.00 41.15 N ATOM 1626 CA THR A 101 -7.379 -4.904 3.792 1.00 54.54 C ATOM 1627 C THR A 101 -6.986 -3.453 4.101 1.00 11.04 C ATOM 1628 O THR A 101 -5.955 -3.203 4.727 1.00 14.51 O ATOM 1629 CB THR A 101 -8.651 -5.259 4.601 1.00 31.14 C ATOM 1630 OG1 THR A 101 -8.399 -5.139 6.012 1.00 21.44 O ATOM 1631 CG2 THR A 101 -9.121 -6.675 4.286 1.00 21.33 C ATOM 0 H THR A 101 -6.087 -5.933 5.095 1.00 41.15 H new ATOM 0 HA THR A 101 -7.590 -5.004 2.727 1.00 54.54 H new ATOM 0 HB THR A 101 -9.435 -4.558 4.314 1.00 31.14 H new ATOM 0 HG1 THR A 101 -9.212 -5.365 6.510 1.00 21.44 H new ATOM 0 HG21 THR A 101 -10.016 -6.899 4.867 1.00 21.33 H new ATOM 0 HG22 THR A 101 -9.349 -6.755 3.223 1.00 21.33 H new ATOM 0 HG23 THR A 101 -8.335 -7.385 4.542 1.00 21.33 H new ATOM 1639 N VAL A 102 -7.799 -2.489 3.658 1.00 32.42 N ATOM 1640 CA VAL A 102 -7.517 -1.069 3.919 1.00 64.33 C ATOM 1641 C VAL A 102 -8.741 -0.330 4.488 1.00 54.24 C ATOM 1642 O VAL A 102 -9.864 -0.479 3.995 1.00 44.44 O ATOM 1643 CB VAL A 102 -7.016 -0.323 2.647 1.00 72.24 C ATOM 1644 CG1 VAL A 102 -5.731 -0.958 2.114 1.00 53.23 C ATOM 1645 CG2 VAL A 102 -8.096 -0.281 1.562 1.00 20.33 C ATOM 0 H VAL A 102 -8.650 -2.660 3.122 1.00 32.42 H new ATOM 0 HA VAL A 102 -6.722 -1.062 4.665 1.00 64.33 H new ATOM 0 HB VAL A 102 -6.795 0.705 2.932 1.00 72.24 H new ATOM 0 HG11 VAL A 102 -5.401 -0.420 1.226 1.00 53.23 H new ATOM 0 HG12 VAL A 102 -4.956 -0.907 2.878 1.00 53.23 H new ATOM 0 HG13 VAL A 102 -5.920 -2.000 1.857 1.00 53.23 H new ATOM 0 HG21 VAL A 102 -7.714 0.247 0.688 1.00 20.33 H new ATOM 0 HG22 VAL A 102 -8.369 -1.298 1.281 1.00 20.33 H new ATOM 0 HG23 VAL A 102 -8.975 0.238 1.944 1.00 20.33 H new ATOM 1655 N GLU A 103 -8.509 0.459 5.537 1.00 51.40 N ATOM 1656 CA GLU A 103 -9.547 1.312 6.132 1.00 72.44 C ATOM 1657 C GLU A 103 -9.135 2.788 6.024 1.00 74.32 C ATOM 1658 O GLU A 103 -7.950 3.110 6.069 1.00 75.00 O ATOM 1659 CB GLU A 103 -9.783 0.935 7.609 1.00 31.51 C ATOM 1660 CG GLU A 103 -8.543 1.066 8.490 1.00 11.20 C ATOM 1661 CD GLU A 103 -8.787 0.661 9.938 1.00 65.13 C ATOM 1662 OE1 GLU A 103 -9.311 1.488 10.715 1.00 24.04 O ATOM 1663 OE2 GLU A 103 -8.449 -0.486 10.309 1.00 64.31 O ATOM 0 H GLU A 103 -7.602 0.528 5.999 1.00 51.40 H new ATOM 0 HA GLU A 103 -10.478 1.158 5.586 1.00 72.44 H new ATOM 0 HB2 GLU A 103 -10.572 1.569 8.013 1.00 31.51 H new ATOM 0 HB3 GLU A 103 -10.144 -0.092 7.658 1.00 31.51 H new ATOM 0 HG2 GLU A 103 -7.745 0.449 8.077 1.00 11.20 H new ATOM 0 HG3 GLU A 103 -8.194 2.098 8.463 1.00 11.20 H new ATOM 1670 N VAL A 104 -10.103 3.683 5.870 1.00 14.24 N ATOM 1671 CA VAL A 104 -9.806 5.115 5.744 1.00 45.44 C ATOM 1672 C VAL A 104 -9.747 5.808 7.115 1.00 73.51 C ATOM 1673 O VAL A 104 -10.596 5.582 7.981 1.00 13.35 O ATOM 1674 CB VAL A 104 -10.836 5.834 4.834 1.00 4.44 C ATOM 1675 CG1 VAL A 104 -10.764 5.286 3.408 1.00 14.03 C ATOM 1676 CG2 VAL A 104 -12.254 5.708 5.396 1.00 25.42 C ATOM 0 H VAL A 104 -11.095 3.451 5.829 1.00 14.24 H new ATOM 0 HA VAL A 104 -8.823 5.188 5.280 1.00 45.44 H new ATOM 0 HB VAL A 104 -10.583 6.894 4.809 1.00 4.44 H new ATOM 0 HG11 VAL A 104 -11.493 5.801 2.783 1.00 14.03 H new ATOM 0 HG12 VAL A 104 -9.764 5.447 3.006 1.00 14.03 H new ATOM 0 HG13 VAL A 104 -10.984 4.218 3.417 1.00 14.03 H new ATOM 0 HG21 VAL A 104 -12.954 6.222 4.737 1.00 25.42 H new ATOM 0 HG22 VAL A 104 -12.526 4.655 5.464 1.00 25.42 H new ATOM 0 HG23 VAL A 104 -12.293 6.158 6.388 1.00 25.42 H new ATOM 1686 N LEU A 105 -8.728 6.642 7.314 1.00 3.31 N ATOM 1687 CA LEU A 105 -8.558 7.365 8.580 1.00 43.20 C ATOM 1688 C LEU A 105 -9.065 8.807 8.470 1.00 30.22 C ATOM 1689 O LEU A 105 -9.663 9.180 7.455 1.00 55.42 O ATOM 1690 CB LEU A 105 -7.097 7.336 9.032 1.00 55.44 C ATOM 1691 CG LEU A 105 -6.524 5.933 9.299 1.00 44.33 C ATOM 1692 CD1 LEU A 105 -5.160 6.032 9.964 1.00 1.51 C ATOM 1693 CD2 LEU A 105 -7.480 5.100 10.154 1.00 55.42 C ATOM 0 H LEU A 105 -8.007 6.836 6.619 1.00 3.31 H new ATOM 0 HA LEU A 105 -9.159 6.858 9.335 1.00 43.20 H new ATOM 0 HB2 LEU A 105 -6.487 7.821 8.270 1.00 55.44 H new ATOM 0 HB3 LEU A 105 -7.002 7.929 9.941 1.00 55.44 H new ATOM 0 HG LEU A 105 -6.407 5.429 8.340 1.00 44.33 H new ATOM 0 HD11 LEU A 105 -4.770 5.030 10.145 1.00 1.51 H new ATOM 0 HD12 LEU A 105 -4.476 6.575 9.312 1.00 1.51 H new ATOM 0 HD13 LEU A 105 -5.255 6.561 10.912 1.00 1.51 H new ATOM 0 HD21 LEU A 105 -7.049 4.114 10.326 1.00 55.42 H new ATOM 0 HD22 LEU A 105 -7.641 5.598 11.110 1.00 55.42 H new ATOM 0 HD23 LEU A 105 -8.433 4.994 9.636 1.00 55.42 H new ATOM 1705 N ASP A 106 -8.817 9.617 9.514 1.00 51.32 N ATOM 1706 CA ASP A 106 -9.491 10.916 9.667 1.00 11.42 C ATOM 1707 C ASP A 106 -11.000 10.667 9.871 1.00 5.34 C ATOM 1708 O ASP A 106 -11.506 9.652 9.395 1.00 74.33 O ATOM 1709 CB ASP A 106 -9.195 11.826 8.459 1.00 52.31 C ATOM 1710 CG ASP A 106 -7.754 12.320 8.456 1.00 41.24 C ATOM 1711 OD1 ASP A 106 -6.834 11.505 8.673 1.00 73.11 O ATOM 1712 OD2 ASP A 106 -7.531 13.534 8.259 1.00 71.20 O ATOM 0 H ASP A 106 -8.158 9.396 10.260 1.00 51.32 H new ATOM 0 HA ASP A 106 -9.111 11.442 10.543 1.00 11.42 H new ATOM 0 HB2 ASP A 106 -9.393 11.280 7.537 1.00 52.31 H new ATOM 0 HB3 ASP A 106 -9.871 12.681 8.475 1.00 52.31 H new ATOM 1717 N PRO A 107 -11.764 11.597 10.510 1.00 75.21 N ATOM 1718 CA PRO A 107 -13.031 11.288 11.181 1.00 44.23 C ATOM 1719 C PRO A 107 -13.447 9.807 11.067 1.00 51.34 C ATOM 1720 O PRO A 107 -14.285 9.425 10.246 1.00 11.03 O ATOM 1721 CB PRO A 107 -13.945 12.269 10.459 1.00 24.33 C ATOM 1722 CG PRO A 107 -13.069 13.498 10.285 1.00 12.31 C ATOM 1723 CD PRO A 107 -11.616 13.049 10.463 1.00 73.32 C ATOM 0 HA PRO A 107 -13.025 11.401 12.265 1.00 44.23 H new ATOM 0 HB2 PRO A 107 -14.281 11.875 9.500 1.00 24.33 H new ATOM 0 HB3 PRO A 107 -14.838 12.491 11.043 1.00 24.33 H new ATOM 0 HG2 PRO A 107 -13.217 13.939 9.299 1.00 12.31 H new ATOM 0 HG3 PRO A 107 -13.328 14.262 11.018 1.00 12.31 H new ATOM 0 HD2 PRO A 107 -10.983 13.370 9.636 1.00 73.32 H new ATOM 0 HD3 PRO A 107 -11.173 13.446 11.376 1.00 73.32 H new ATOM 1731 N LEU A 108 -12.818 8.999 11.929 1.00 15.22 N ATOM 1732 CA LEU A 108 -12.741 7.534 11.788 1.00 34.25 C ATOM 1733 C LEU A 108 -14.089 6.839 11.548 1.00 63.33 C ATOM 1734 O LEU A 108 -15.082 7.102 12.234 1.00 21.21 O ATOM 1735 CB LEU A 108 -12.062 6.928 13.037 1.00 42.12 C ATOM 1736 CG LEU A 108 -10.744 6.175 12.780 1.00 72.40 C ATOM 1737 CD1 LEU A 108 -10.963 4.998 11.828 1.00 13.44 C ATOM 1738 CD2 LEU A 108 -9.675 7.129 12.241 1.00 3.12 C ATOM 0 H LEU A 108 -12.339 9.348 12.759 1.00 15.22 H new ATOM 0 HA LEU A 108 -12.151 7.355 10.889 1.00 34.25 H new ATOM 0 HB2 LEU A 108 -11.868 7.731 13.748 1.00 42.12 H new ATOM 0 HB3 LEU A 108 -12.764 6.243 13.513 1.00 42.12 H new ATOM 0 HG LEU A 108 -10.390 5.772 13.729 1.00 72.40 H new ATOM 0 HD11 LEU A 108 -10.017 4.483 11.663 1.00 13.44 H new ATOM 0 HD12 LEU A 108 -11.682 4.305 12.265 1.00 13.44 H new ATOM 0 HD13 LEU A 108 -11.347 5.366 10.876 1.00 13.44 H new ATOM 0 HD21 LEU A 108 -8.751 6.578 12.066 1.00 3.12 H new ATOM 0 HD22 LEU A 108 -10.019 7.569 11.305 1.00 3.12 H new ATOM 0 HD23 LEU A 108 -9.493 7.920 12.968 1.00 3.12 H new ATOM 1750 N GLU A 109 -14.091 5.932 10.570 1.00 32.44 N ATOM 1751 CA GLU A 109 -15.215 5.027 10.335 1.00 22.30 C ATOM 1752 C GLU A 109 -15.492 4.174 11.581 1.00 73.24 C ATOM 1753 O GLU A 109 -16.575 4.230 12.159 1.00 15.30 O ATOM 1754 CB GLU A 109 -14.905 4.112 9.140 1.00 52.00 C ATOM 1755 CG GLU A 109 -14.778 4.845 7.807 1.00 42.50 C ATOM 1756 CD GLU A 109 -16.119 5.292 7.243 1.00 51.05 C ATOM 1757 OE1 GLU A 109 -16.630 6.347 7.665 1.00 13.34 O ATOM 1758 OE2 GLU A 109 -16.671 4.582 6.376 1.00 15.01 O ATOM 0 H GLU A 109 -13.315 5.805 9.920 1.00 32.44 H new ATOM 0 HA GLU A 109 -16.101 5.624 10.117 1.00 22.30 H new ATOM 0 HB2 GLU A 109 -13.976 3.577 9.338 1.00 52.00 H new ATOM 0 HB3 GLU A 109 -15.692 3.363 9.056 1.00 52.00 H new ATOM 0 HG2 GLU A 109 -14.137 5.717 7.938 1.00 42.50 H new ATOM 0 HG3 GLU A 109 -14.286 4.193 7.086 1.00 42.50 H new ATOM 1765 N HIS A 110 -14.502 3.365 11.974 1.00 63.25 N ATOM 1766 CA HIS A 110 -14.592 2.543 13.195 1.00 44.34 C ATOM 1767 C HIS A 110 -13.293 2.628 14.025 1.00 2.32 C ATOM 1768 O HIS A 110 -12.323 1.903 13.696 1.00 38.28 O ATOM 1769 CB HIS A 110 -14.895 1.077 12.848 1.00 72.43 C ATOM 1770 CG HIS A 110 -16.251 0.860 12.251 1.00 70.23 C ATOM 1771 ND1 HIS A 110 -16.782 1.304 11.093 1.00 71.24 N flip ATOM 1772 CD2 HIS A 110 -17.236 0.113 12.856 1.00 32.41 C flip ATOM 1773 CE1 HIS A 110 -18.064 0.822 11.017 1.00 33.25 C flip ATOM 1774 NE2 HIS A 110 -18.311 0.106 12.094 1.00 43.15 N flip ATOM 0 H HIS A 110 -13.625 3.259 11.465 1.00 63.25 H new ATOM 0 HA HIS A 110 -15.411 2.940 13.795 1.00 44.34 H new ATOM 0 HB2 HIS A 110 -14.140 0.716 12.150 1.00 72.43 H new ATOM 0 HB3 HIS A 110 -14.807 0.475 13.752 1.00 72.43 H new ATOM 0 HD2 HIS A 110 -17.142 -0.389 13.807 1.00 32.41 H new ATOM 0 HE1 HIS A 110 -18.756 1.000 10.208 1.00 33.25 H new ATOM 0 HE2 HIS A 110 -19.187 -0.373 12.303 1.00 43.15 H new TER 1783 HIS A 110