USER MOD reduce.3.24.130724 H: found=0, std=0, add=1050, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 1051 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 10 ASN :FLIP amide:sc= -0.701 F(o=-1.8!,f=-0.7) USER MOD Set 1.2: A 85 GLN : amide:sc= 0 X(o=-0.7,f=-0.95) USER MOD Set 2.1: A 9 THR OG1 : rot -101:sc= -0.35 USER MOD Set 2.2: A 83 GLN : amide:sc= -0.0713 K(o=-0.42,f=-1.5) USER MOD Set 3.1: A 8 ASN : amide:sc= 0.121 K(o=0.33,f=-0.26) USER MOD Set 3.2: A 61 LYS NZ :NH3+ 167:sc= 0.205 (180deg=0.0353) USER MOD Set 4.1: A 2 LYS NZ :NH3+ -114:sc= 1.2 (180deg=0.489) USER MOD Set 4.2: A 76 TYR OH : rot -140:sc= 1.23 USER MOD Single : A 11 ASN : amide:sc= -1.65 X(o=-1.6,f=-1.4) USER MOD Single : A 16 LYS NZ :NH3+ -170:sc= -0.0363 (180deg=-0.179) USER MOD Single : A 17 LYS NZ :NH3+ -141:sc= 0.702 (180deg=-0.444) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 151:sc= 0.668 (180deg=0.0567) USER MOD Single : A 24 ASN : amide:sc= -0.0312 X(o=-0.031,f=-0.47) USER MOD Single : A 25 GLN : amide:sc= -0.0295 X(o=-0.029,f=-0.21) USER MOD Single : A 27 TYR OH : rot 15:sc= -2.24! USER MOD Single : A 28 GLN : amide:sc= -0.802 K(o=-0.8,f=-3.7!) USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 158:sc= 0.51 (180deg=0.288) USER MOD Single : A 40 LYS NZ :NH3+ 145:sc= 0.806 (180deg=0.263) USER MOD Single : A 42 MET CE :methyl 158:sc= -1.57 (180deg=-2.08) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 LYS NZ :NH3+ -155:sc= 0.366 (180deg=0.146) USER MOD Single : A 58 SER OG : rot -117:sc= 0.263 USER MOD Single : A 59 ASN : amide:sc= -0.218 K(o=-0.22,f=-2.9!) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 MET CE :methyl -110:sc= -0.0367 (180deg=-1.4!) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0261) USER MOD Single : A 77 LYS NZ :NH3+ 178:sc= 0.298 (180deg=0.285) USER MOD Single : A 88 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 94 LYS NZ :NH3+ 179:sc= 0.487 (180deg=0.454) USER MOD Single : A 96 LYS NZ :NH3+ 161:sc= -0.75 (180deg=-1.4!) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 100 GLN : amide:sc= -0.165 K(o=-0.17,f=-1.3) USER MOD Single : A 102 TYR OH : rot 165:sc= -0.0596 USER MOD Single : A 106 LYS NZ :NH3+ -138:sc= 1.09 (180deg=0.126) USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 MET CE :methyl -129:sc= -0.393 (180deg=-1.88) USER MOD Single : A 122 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 20 N LYS A 2 -12.214 8.088 3.535 1.00 61.22 N ATOM 21 CA LYS A 2 -11.823 6.715 3.929 1.00 52.52 C ATOM 22 C LYS A 2 -10.309 6.591 3.711 1.00 53.51 C ATOM 23 O LYS A 2 -9.807 7.113 2.719 1.00 74.32 O ATOM 24 CB LYS A 2 -12.595 5.648 3.101 1.00 55.10 C ATOM 25 CG LYS A 2 -12.479 5.825 1.581 1.00 11.33 C ATOM 26 CD LYS A 2 -13.145 4.684 0.795 1.00 32.23 C ATOM 27 CE LYS A 2 -13.050 4.898 -0.724 1.00 31.04 C ATOM 28 NZ LYS A 2 -14.037 5.890 -1.242 1.00 12.03 N ATOM 0 HA LYS A 2 -12.075 6.537 4.974 1.00 52.52 H new ATOM 0 HB2 LYS A 2 -12.225 4.659 3.369 1.00 55.10 H new ATOM 0 HB3 LYS A 2 -13.648 5.681 3.380 1.00 55.10 H new ATOM 0 HG2 LYS A 2 -12.936 6.772 1.294 1.00 11.33 H new ATOM 0 HG3 LYS A 2 -11.426 5.883 1.306 1.00 11.33 H new ATOM 0 HD2 LYS A 2 -12.671 3.738 1.058 1.00 32.23 H new ATOM 0 HD3 LYS A 2 -14.193 4.607 1.085 1.00 32.23 H new ATOM 0 HE2 LYS A 2 -12.043 5.232 -0.975 1.00 31.04 H new ATOM 0 HE3 LYS A 2 -13.204 3.944 -1.229 1.00 31.04 H new ATOM 0 HZ1 LYS A 2 -14.720 5.409 -1.862 1.00 12.03 H new ATOM 0 HZ2 LYS A 2 -14.541 6.327 -0.444 1.00 12.03 H new ATOM 0 HZ3 LYS A 2 -13.539 6.626 -1.782 1.00 12.03 H new ATOM 42 N GLU A 3 -9.571 5.936 4.632 1.00 1.44 N ATOM 43 CA GLU A 3 -8.099 5.793 4.497 1.00 12.34 C ATOM 44 C GLU A 3 -7.743 4.818 3.360 1.00 21.41 C ATOM 45 O GLU A 3 -8.538 3.948 2.995 1.00 3.01 O ATOM 46 CB GLU A 3 -7.424 5.351 5.836 1.00 63.32 C ATOM 47 CG GLU A 3 -7.496 6.405 6.973 1.00 34.24 C ATOM 48 CD GLU A 3 -6.406 6.269 8.064 1.00 34.10 C ATOM 49 OE1 GLU A 3 -5.253 5.893 7.734 1.00 30.10 O ATOM 50 OE2 GLU A 3 -6.671 6.607 9.249 1.00 41.24 O ATOM 0 H GLU A 3 -9.961 5.501 5.468 1.00 1.44 H new ATOM 0 HA GLU A 3 -7.705 6.778 4.246 1.00 12.34 H new ATOM 0 HB2 GLU A 3 -7.897 4.431 6.180 1.00 63.32 H new ATOM 0 HB3 GLU A 3 -6.377 5.117 5.641 1.00 63.32 H new ATOM 0 HG2 GLU A 3 -7.424 7.399 6.531 1.00 34.24 H new ATOM 0 HG3 GLU A 3 -8.475 6.338 7.448 1.00 34.24 H new ATOM 57 N LEU A 4 -6.546 4.988 2.795 1.00 42.34 N ATOM 58 CA LEU A 4 -6.063 4.183 1.662 1.00 3.04 C ATOM 59 C LEU A 4 -4.600 3.796 1.929 1.00 13.25 C ATOM 60 O LEU A 4 -3.716 4.656 1.905 1.00 21.00 O ATOM 61 CB LEU A 4 -6.220 4.994 0.318 1.00 42.13 C ATOM 62 CG LEU A 4 -7.254 4.447 -0.726 1.00 53.42 C ATOM 63 CD1 LEU A 4 -6.856 3.036 -1.220 1.00 24.54 C ATOM 64 CD2 LEU A 4 -8.710 4.478 -0.181 1.00 32.13 C ATOM 0 H LEU A 4 -5.878 5.691 3.110 1.00 42.34 H new ATOM 0 HA LEU A 4 -6.653 3.272 1.559 1.00 3.04 H new ATOM 0 HB2 LEU A 4 -6.502 6.016 0.570 1.00 42.13 H new ATOM 0 HB3 LEU A 4 -5.244 5.042 -0.165 1.00 42.13 H new ATOM 0 HG LEU A 4 -7.230 5.117 -1.586 1.00 53.42 H new ATOM 0 HD11 LEU A 4 -7.591 2.683 -1.943 1.00 24.54 H new ATOM 0 HD12 LEU A 4 -5.875 3.079 -1.692 1.00 24.54 H new ATOM 0 HD13 LEU A 4 -6.821 2.350 -0.373 1.00 24.54 H new ATOM 0 HD21 LEU A 4 -9.391 4.090 -0.939 1.00 32.13 H new ATOM 0 HD22 LEU A 4 -8.776 3.862 0.716 1.00 32.13 H new ATOM 0 HD23 LEU A 4 -8.986 5.504 0.063 1.00 32.13 H new ATOM 76 N ILE A 5 -4.351 2.497 2.182 1.00 15.22 N ATOM 77 CA ILE A 5 -2.999 1.963 2.444 1.00 24.34 C ATOM 78 C ILE A 5 -2.487 1.211 1.207 1.00 12.21 C ATOM 79 O ILE A 5 -3.240 0.480 0.561 1.00 61.13 O ATOM 80 CB ILE A 5 -2.970 1.010 3.705 1.00 1.34 C ATOM 81 CG1 ILE A 5 -1.521 0.488 4.005 1.00 71.33 C ATOM 82 CG2 ILE A 5 -3.966 -0.158 3.553 1.00 51.54 C ATOM 83 CD1 ILE A 5 -1.395 -0.428 5.222 1.00 52.45 C ATOM 0 H ILE A 5 -5.082 1.786 2.211 1.00 15.22 H new ATOM 0 HA ILE A 5 -2.347 2.809 2.659 1.00 24.34 H new ATOM 0 HB ILE A 5 -3.286 1.603 4.563 1.00 1.34 H new ATOM 0 HG12 ILE A 5 -1.157 -0.048 3.128 1.00 71.33 H new ATOM 0 HG13 ILE A 5 -0.866 1.347 4.148 1.00 71.33 H new ATOM 0 HG21 ILE A 5 -3.920 -0.793 4.438 1.00 51.54 H new ATOM 0 HG22 ILE A 5 -4.976 0.237 3.442 1.00 51.54 H new ATOM 0 HG23 ILE A 5 -3.707 -0.744 2.671 1.00 51.54 H new ATOM 0 HD11 ILE A 5 -0.355 -0.733 5.342 1.00 52.45 H new ATOM 0 HD12 ILE A 5 -1.722 0.106 6.114 1.00 52.45 H new ATOM 0 HD13 ILE A 5 -2.018 -1.311 5.079 1.00 52.45 H new ATOM 95 N LEU A 6 -1.221 1.445 0.851 1.00 31.30 N ATOM 96 CA LEU A 6 -0.541 0.735 -0.236 1.00 34.24 C ATOM 97 C LEU A 6 0.614 -0.052 0.371 1.00 71.55 C ATOM 98 O LEU A 6 1.400 0.497 1.139 1.00 63.32 O ATOM 99 CB LEU A 6 -0.015 1.708 -1.327 1.00 34.31 C ATOM 100 CG LEU A 6 -1.088 2.454 -2.186 1.00 63.32 C ATOM 101 CD1 LEU A 6 -1.893 3.480 -1.368 1.00 31.45 C ATOM 102 CD2 LEU A 6 -0.439 3.111 -3.418 1.00 53.31 C ATOM 0 H LEU A 6 -0.634 2.139 1.313 1.00 31.30 H new ATOM 0 HA LEU A 6 -1.250 0.069 -0.727 1.00 34.24 H new ATOM 0 HB2 LEU A 6 0.611 2.456 -0.841 1.00 34.31 H new ATOM 0 HB3 LEU A 6 0.629 1.144 -2.003 1.00 34.31 H new ATOM 0 HG LEU A 6 -1.800 1.703 -2.528 1.00 63.32 H new ATOM 0 HD11 LEU A 6 -2.623 3.968 -2.014 1.00 31.45 H new ATOM 0 HD12 LEU A 6 -2.411 2.971 -0.555 1.00 31.45 H new ATOM 0 HD13 LEU A 6 -1.216 4.228 -0.955 1.00 31.45 H new ATOM 0 HD21 LEU A 6 -1.203 3.624 -4.002 1.00 53.31 H new ATOM 0 HD22 LEU A 6 0.313 3.830 -3.093 1.00 53.31 H new ATOM 0 HD23 LEU A 6 0.033 2.345 -4.033 1.00 53.31 H new ATOM 114 N ILE A 7 0.678 -1.351 0.060 1.00 74.32 N ATOM 115 CA ILE A 7 1.778 -2.228 0.471 1.00 62.43 C ATOM 116 C ILE A 7 2.657 -2.495 -0.759 1.00 33.43 C ATOM 117 O ILE A 7 2.155 -2.580 -1.879 1.00 41.24 O ATOM 118 CB ILE A 7 1.292 -3.606 1.111 1.00 64.31 C ATOM 119 CG1 ILE A 7 0.548 -3.402 2.478 1.00 63.20 C ATOM 120 CG2 ILE A 7 2.481 -4.582 1.303 1.00 51.30 C ATOM 121 CD1 ILE A 7 -0.805 -2.734 2.391 1.00 23.43 C ATOM 0 H ILE A 7 -0.038 -1.827 -0.489 1.00 74.32 H new ATOM 0 HA ILE A 7 2.336 -1.720 1.258 1.00 62.43 H new ATOM 0 HB ILE A 7 0.582 -4.039 0.406 1.00 64.31 H new ATOM 0 HG12 ILE A 7 0.423 -4.376 2.952 1.00 63.20 H new ATOM 0 HG13 ILE A 7 1.185 -2.808 3.133 1.00 63.20 H new ATOM 0 HG21 ILE A 7 2.121 -5.513 1.741 1.00 51.30 H new ATOM 0 HG22 ILE A 7 2.941 -4.790 0.337 1.00 51.30 H new ATOM 0 HG23 ILE A 7 3.219 -4.131 1.967 1.00 51.30 H new ATOM 0 HD11 ILE A 7 -1.231 -2.642 3.390 1.00 23.43 H new ATOM 0 HD12 ILE A 7 -0.694 -1.743 1.952 1.00 23.43 H new ATOM 0 HD13 ILE A 7 -1.468 -3.335 1.768 1.00 23.43 H new ATOM 133 N ASN A 8 3.969 -2.565 -0.539 1.00 44.41 N ATOM 134 CA ASN A 8 4.940 -3.042 -1.521 1.00 3.33 C ATOM 135 C ASN A 8 5.781 -4.111 -0.848 1.00 4.12 C ATOM 136 O ASN A 8 6.262 -3.916 0.268 1.00 64.32 O ATOM 137 CB ASN A 8 5.836 -1.899 -2.017 1.00 2.42 C ATOM 138 CG ASN A 8 6.912 -2.313 -3.041 1.00 32.33 C ATOM 139 OD1 ASN A 8 8.040 -1.812 -3.009 1.00 0.51 O ATOM 140 ND2 ASN A 8 6.560 -3.184 -3.983 1.00 20.23 N ATOM 0 H ASN A 8 4.395 -2.286 0.345 1.00 44.41 H new ATOM 0 HA ASN A 8 4.420 -3.445 -2.391 1.00 3.33 H new ATOM 0 HB2 ASN A 8 5.205 -1.131 -2.465 1.00 2.42 H new ATOM 0 HB3 ASN A 8 6.329 -1.445 -1.158 1.00 2.42 H new ATOM 0 HD21 ASN A 8 7.229 -3.454 -4.704 1.00 20.23 H new ATOM 0 HD22 ASN A 8 5.621 -3.582 -3.984 1.00 20.23 H new ATOM 147 N THR A 9 5.907 -5.246 -1.508 1.00 33.14 N ATOM 148 CA THR A 9 6.761 -6.330 -1.066 1.00 1.24 C ATOM 149 C THR A 9 7.348 -7.030 -2.289 1.00 42.42 C ATOM 150 O THR A 9 6.620 -7.391 -3.223 1.00 24.22 O ATOM 151 CB THR A 9 6.012 -7.329 -0.117 1.00 41.31 C ATOM 152 OG1 THR A 9 6.770 -8.537 0.039 1.00 42.21 O ATOM 153 CG2 THR A 9 4.590 -7.655 -0.587 1.00 65.11 C ATOM 0 H THR A 9 5.412 -5.443 -2.378 1.00 33.14 H new ATOM 0 HA THR A 9 7.574 -5.916 -0.469 1.00 1.24 H new ATOM 0 HB THR A 9 5.918 -6.828 0.846 1.00 41.31 H new ATOM 0 HG1 THR A 9 6.387 -9.239 -0.527 1.00 42.21 H new ATOM 0 HG21 THR A 9 4.126 -8.351 0.112 1.00 65.11 H new ATOM 0 HG22 THR A 9 4.002 -6.738 -0.630 1.00 65.11 H new ATOM 0 HG23 THR A 9 4.629 -8.108 -1.578 1.00 65.11 H new ATOM 161 N ASN A 10 8.681 -7.159 -2.279 1.00 25.35 N ATOM 162 CA ASN A 10 9.437 -7.885 -3.309 1.00 65.13 C ATOM 163 C ASN A 10 9.225 -9.409 -3.135 1.00 33.23 C ATOM 164 O ASN A 10 9.257 -10.171 -4.107 1.00 54.12 O ATOM 165 CB ASN A 10 10.941 -7.495 -3.209 1.00 11.12 C ATOM 166 CG ASN A 10 11.820 -8.006 -4.361 1.00 61.35 C ATOM 167 OD1 ASN A 10 13.126 -8.069 -4.140 1.00 4.13 O flip ATOM 168 ND2 ASN A 10 11.343 -8.262 -5.466 1.00 23.01 N flip ATOM 0 H ASN A 10 9.271 -6.759 -1.549 1.00 25.35 H new ATOM 0 HA ASN A 10 9.081 -7.614 -4.303 1.00 65.13 H new ATOM 0 HB2 ASN A 10 11.018 -6.408 -3.167 1.00 11.12 H new ATOM 0 HB3 ASN A 10 11.339 -7.879 -2.270 1.00 11.12 H new ATOM 0 HD21 ASN A 10 10.335 -8.207 -5.612 1.00 23.01 H new ATOM 0 HD22 ASN A 10 11.956 -8.530 -6.236 1.00 23.01 H new ATOM 175 N ASN A 11 8.969 -9.810 -1.870 1.00 62.15 N ATOM 176 CA ASN A 11 8.733 -11.209 -1.462 1.00 62.21 C ATOM 177 C ASN A 11 7.307 -11.664 -1.872 1.00 32.10 C ATOM 178 O ASN A 11 6.310 -11.180 -1.314 1.00 62.25 O ATOM 179 CB ASN A 11 8.951 -11.325 0.081 1.00 71.44 C ATOM 180 CG ASN A 11 8.781 -12.746 0.655 1.00 72.40 C ATOM 181 OD1 ASN A 11 8.992 -13.745 -0.026 1.00 15.00 O ATOM 182 ND2 ASN A 11 8.425 -12.842 1.932 1.00 33.41 N ATOM 0 H ASN A 11 8.920 -9.155 -1.090 1.00 62.15 H new ATOM 0 HA ASN A 11 9.437 -11.868 -1.970 1.00 62.21 H new ATOM 0 HB2 ASN A 11 9.954 -10.970 0.319 1.00 71.44 H new ATOM 0 HB3 ASN A 11 8.249 -10.659 0.584 1.00 71.44 H new ATOM 0 HD21 ASN A 11 8.322 -13.760 2.365 1.00 33.41 H new ATOM 0 HD22 ASN A 11 8.255 -11.998 2.479 1.00 33.41 H new ATOM 189 N ASP A 12 7.236 -12.593 -2.858 1.00 62.34 N ATOM 190 CA ASP A 12 5.960 -13.159 -3.384 1.00 24.41 C ATOM 191 C ASP A 12 5.159 -13.859 -2.281 1.00 64.44 C ATOM 192 O ASP A 12 3.930 -13.742 -2.230 1.00 71.45 O ATOM 193 CB ASP A 12 6.219 -14.172 -4.534 1.00 42.20 C ATOM 194 CG ASP A 12 6.705 -13.503 -5.823 1.00 40.24 C ATOM 195 OD1 ASP A 12 7.915 -13.243 -5.948 1.00 4.41 O ATOM 196 OD2 ASP A 12 5.865 -13.208 -6.708 1.00 71.11 O ATOM 0 H ASP A 12 8.064 -12.975 -3.315 1.00 62.34 H new ATOM 0 HA ASP A 12 5.384 -12.317 -3.768 1.00 24.41 H new ATOM 0 HB2 ASP A 12 6.960 -14.901 -4.208 1.00 42.20 H new ATOM 0 HB3 ASP A 12 5.301 -14.721 -4.740 1.00 42.20 H new ATOM 201 N GLU A 13 5.892 -14.596 -1.422 1.00 35.13 N ATOM 202 CA GLU A 13 5.327 -15.319 -0.270 1.00 2.13 C ATOM 203 C GLU A 13 4.593 -14.345 0.658 1.00 5.03 C ATOM 204 O GLU A 13 3.461 -14.611 1.061 1.00 4.20 O ATOM 205 CB GLU A 13 6.451 -16.074 0.493 1.00 73.21 C ATOM 206 CG GLU A 13 7.120 -17.197 -0.329 1.00 61.10 C ATOM 207 CD GLU A 13 8.359 -17.785 0.361 1.00 30.32 C ATOM 208 OE1 GLU A 13 9.442 -17.182 0.240 1.00 73.14 O ATOM 209 OE2 GLU A 13 8.256 -18.833 1.039 1.00 43.22 O ATOM 0 H GLU A 13 6.902 -14.706 -1.511 1.00 35.13 H new ATOM 0 HA GLU A 13 4.607 -16.054 -0.630 1.00 2.13 H new ATOM 0 HB2 GLU A 13 7.213 -15.358 0.799 1.00 73.21 H new ATOM 0 HB3 GLU A 13 6.033 -16.503 1.404 1.00 73.21 H new ATOM 0 HG2 GLU A 13 6.396 -17.993 -0.504 1.00 61.10 H new ATOM 0 HG3 GLU A 13 7.406 -16.805 -1.305 1.00 61.10 H new ATOM 216 N LEU A 14 5.232 -13.185 0.930 1.00 61.40 N ATOM 217 CA LEU A 14 4.657 -12.148 1.800 1.00 24.42 C ATOM 218 C LEU A 14 3.382 -11.551 1.178 1.00 11.00 C ATOM 219 O LEU A 14 2.428 -11.309 1.911 1.00 20.14 O ATOM 220 CB LEU A 14 5.687 -11.037 2.117 1.00 65.42 C ATOM 221 CG LEU A 14 5.188 -9.877 3.046 1.00 34.51 C ATOM 222 CD1 LEU A 14 4.596 -10.384 4.380 1.00 62.33 C ATOM 223 CD2 LEU A 14 6.306 -8.868 3.301 1.00 43.41 C ATOM 0 H LEU A 14 6.150 -12.948 0.555 1.00 61.40 H new ATOM 0 HA LEU A 14 4.385 -12.625 2.742 1.00 24.42 H new ATOM 0 HB2 LEU A 14 6.557 -11.499 2.583 1.00 65.42 H new ATOM 0 HB3 LEU A 14 6.023 -10.602 1.176 1.00 65.42 H new ATOM 0 HG LEU A 14 4.376 -9.381 2.513 1.00 34.51 H new ATOM 0 HD11 LEU A 14 4.268 -9.534 4.979 1.00 62.33 H new ATOM 0 HD12 LEU A 14 3.745 -11.034 4.177 1.00 62.33 H new ATOM 0 HD13 LEU A 14 5.356 -10.942 4.927 1.00 62.33 H new ATOM 0 HD21 LEU A 14 5.937 -8.072 3.948 1.00 43.41 H new ATOM 0 HD22 LEU A 14 7.145 -9.369 3.784 1.00 43.41 H new ATOM 0 HD23 LEU A 14 6.635 -8.442 2.353 1.00 43.41 H new ATOM 235 N ILE A 15 3.362 -11.351 -0.173 1.00 21.30 N ATOM 236 CA ILE A 15 2.148 -10.854 -0.880 1.00 14.14 C ATOM 237 C ILE A 15 0.940 -11.750 -0.529 1.00 32.01 C ATOM 238 O ILE A 15 -0.093 -11.258 -0.076 1.00 31.53 O ATOM 239 CB ILE A 15 2.283 -10.820 -2.459 1.00 73.12 C ATOM 240 CG1 ILE A 15 3.559 -10.055 -2.926 1.00 23.05 C ATOM 241 CG2 ILE A 15 1.008 -10.191 -3.089 1.00 34.03 C ATOM 242 CD1 ILE A 15 3.790 -10.042 -4.433 1.00 43.24 C ATOM 0 H ILE A 15 4.161 -11.524 -0.783 1.00 21.30 H new ATOM 0 HA ILE A 15 2.013 -9.827 -0.541 1.00 14.14 H new ATOM 0 HB ILE A 15 2.385 -11.849 -2.802 1.00 73.12 H new ATOM 0 HG12 ILE A 15 3.495 -9.025 -2.575 1.00 23.05 H new ATOM 0 HG13 ILE A 15 4.429 -10.502 -2.445 1.00 23.05 H new ATOM 0 HG21 ILE A 15 1.110 -10.172 -4.174 1.00 34.03 H new ATOM 0 HG22 ILE A 15 0.136 -10.786 -2.817 1.00 34.03 H new ATOM 0 HG23 ILE A 15 0.883 -9.174 -2.718 1.00 34.03 H new ATOM 0 HD11 ILE A 15 4.701 -9.486 -4.657 1.00 43.24 H new ATOM 0 HD12 ILE A 15 3.891 -11.065 -4.794 1.00 43.24 H new ATOM 0 HD13 ILE A 15 2.943 -9.565 -4.927 1.00 43.24 H new ATOM 254 N LYS A 16 1.141 -13.075 -0.698 1.00 31.43 N ATOM 255 CA LYS A 16 0.109 -14.111 -0.455 1.00 21.11 C ATOM 256 C LYS A 16 -0.435 -14.023 0.982 1.00 2.51 C ATOM 257 O LYS A 16 -1.647 -14.023 1.203 1.00 51.54 O ATOM 258 CB LYS A 16 0.702 -15.529 -0.687 1.00 61.31 C ATOM 259 CG LYS A 16 1.418 -15.732 -2.040 1.00 71.31 C ATOM 260 CD LYS A 16 0.487 -15.624 -3.268 1.00 71.15 C ATOM 261 CE LYS A 16 -0.561 -16.753 -3.333 1.00 34.34 C ATOM 262 NZ LYS A 16 0.063 -18.103 -3.335 1.00 21.54 N ATOM 0 H LYS A 16 2.032 -13.461 -1.010 1.00 31.43 H new ATOM 0 HA LYS A 16 -0.708 -13.935 -1.155 1.00 21.11 H new ATOM 0 HB2 LYS A 16 1.408 -15.745 0.115 1.00 61.31 H new ATOM 0 HB3 LYS A 16 -0.104 -16.259 -0.608 1.00 61.31 H new ATOM 0 HG2 LYS A 16 2.212 -14.991 -2.133 1.00 71.31 H new ATOM 0 HG3 LYS A 16 1.894 -16.712 -2.043 1.00 71.31 H new ATOM 0 HD2 LYS A 16 -0.025 -14.662 -3.245 1.00 71.15 H new ATOM 0 HD3 LYS A 16 1.090 -15.643 -4.176 1.00 71.15 H new ATOM 0 HE2 LYS A 16 -1.236 -16.669 -2.481 1.00 34.34 H new ATOM 0 HE3 LYS A 16 -1.166 -16.633 -4.232 1.00 34.34 H new ATOM 0 HZ1 LYS A 16 -0.660 -18.819 -3.549 1.00 21.54 H new ATOM 0 HZ2 LYS A 16 0.810 -18.139 -4.057 1.00 21.54 H new ATOM 0 HZ3 LYS A 16 0.475 -18.296 -2.400 1.00 21.54 H new ATOM 276 N LYS A 17 0.505 -13.913 1.934 1.00 61.11 N ATOM 277 CA LYS A 17 0.226 -13.908 3.375 1.00 33.44 C ATOM 278 C LYS A 17 -0.613 -12.686 3.779 1.00 15.21 C ATOM 279 O LYS A 17 -1.617 -12.830 4.488 1.00 25.14 O ATOM 280 CB LYS A 17 1.568 -13.943 4.138 1.00 74.04 C ATOM 281 CG LYS A 17 2.365 -15.248 3.912 1.00 4.13 C ATOM 282 CD LYS A 17 3.775 -15.207 4.534 1.00 4.52 C ATOM 283 CE LYS A 17 3.746 -14.996 6.052 1.00 14.14 C ATOM 284 NZ LYS A 17 5.111 -14.905 6.614 1.00 51.51 N ATOM 0 H LYS A 17 1.498 -13.824 1.718 1.00 61.11 H new ATOM 0 HA LYS A 17 -0.362 -14.789 3.632 1.00 33.44 H new ATOM 0 HB2 LYS A 17 2.177 -13.095 3.827 1.00 74.04 H new ATOM 0 HB3 LYS A 17 1.375 -13.823 5.204 1.00 74.04 H new ATOM 0 HG2 LYS A 17 1.810 -16.084 4.337 1.00 4.13 H new ATOM 0 HG3 LYS A 17 2.451 -15.434 2.841 1.00 4.13 H new ATOM 0 HD2 LYS A 17 4.293 -16.140 4.311 1.00 4.52 H new ATOM 0 HD3 LYS A 17 4.349 -14.404 4.071 1.00 4.52 H new ATOM 0 HE2 LYS A 17 3.195 -14.084 6.283 1.00 14.14 H new ATOM 0 HE3 LYS A 17 3.211 -15.820 6.525 1.00 14.14 H new ATOM 0 HZ1 LYS A 17 5.144 -15.401 7.528 1.00 51.51 H new ATOM 0 HZ2 LYS A 17 5.787 -15.345 5.957 1.00 51.51 H new ATOM 0 HZ3 LYS A 17 5.363 -13.906 6.753 1.00 51.51 H new ATOM 298 N ILE A 18 -0.200 -11.498 3.283 1.00 52.43 N ATOM 299 CA ILE A 18 -0.898 -10.224 3.545 1.00 10.35 C ATOM 300 C ILE A 18 -2.335 -10.303 3.015 1.00 33.21 C ATOM 301 O ILE A 18 -3.271 -10.030 3.756 1.00 22.12 O ATOM 302 CB ILE A 18 -0.152 -8.984 2.912 1.00 53.35 C ATOM 303 CG1 ILE A 18 1.295 -8.882 3.476 1.00 54.44 C ATOM 304 CG2 ILE A 18 -0.929 -7.658 3.151 1.00 63.22 C ATOM 305 CD1 ILE A 18 2.129 -7.745 2.920 1.00 31.40 C ATOM 0 H ILE A 18 0.625 -11.398 2.691 1.00 52.43 H new ATOM 0 HA ILE A 18 -0.908 -10.073 4.624 1.00 10.35 H new ATOM 0 HB ILE A 18 -0.102 -9.140 1.834 1.00 53.35 H new ATOM 0 HG12 ILE A 18 1.238 -8.773 4.559 1.00 54.44 H new ATOM 0 HG13 ILE A 18 1.812 -9.821 3.277 1.00 54.44 H new ATOM 0 HG21 ILE A 18 -0.382 -6.830 2.700 1.00 63.22 H new ATOM 0 HG22 ILE A 18 -1.918 -7.729 2.698 1.00 63.22 H new ATOM 0 HG23 ILE A 18 -1.032 -7.485 4.222 1.00 63.22 H new ATOM 0 HD11 ILE A 18 3.118 -7.762 3.377 1.00 31.40 H new ATOM 0 HD12 ILE A 18 2.226 -7.859 1.840 1.00 31.40 H new ATOM 0 HD13 ILE A 18 1.643 -6.795 3.142 1.00 31.40 H new ATOM 317 N LYS A 19 -2.486 -10.757 1.747 1.00 13.23 N ATOM 318 CA LYS A 19 -3.798 -10.836 1.077 1.00 30.00 C ATOM 319 C LYS A 19 -4.809 -11.644 1.916 1.00 31.53 C ATOM 320 O LYS A 19 -5.905 -11.153 2.199 1.00 22.42 O ATOM 321 CB LYS A 19 -3.662 -11.430 -0.357 1.00 24.15 C ATOM 322 CG LYS A 19 -2.869 -10.524 -1.332 1.00 43.01 C ATOM 323 CD LYS A 19 -2.928 -11.003 -2.798 1.00 5.44 C ATOM 324 CE LYS A 19 -2.289 -12.384 -2.999 1.00 21.21 C ATOM 325 NZ LYS A 19 -2.525 -12.899 -4.369 1.00 51.44 N ATOM 0 H LYS A 19 -1.708 -11.075 1.169 1.00 13.23 H new ATOM 0 HA LYS A 19 -4.181 -9.820 0.984 1.00 30.00 H new ATOM 0 HB2 LYS A 19 -3.169 -12.400 -0.294 1.00 24.15 H new ATOM 0 HB3 LYS A 19 -4.658 -11.604 -0.765 1.00 24.15 H new ATOM 0 HG2 LYS A 19 -3.261 -9.509 -1.273 1.00 43.01 H new ATOM 0 HG3 LYS A 19 -1.828 -10.483 -1.013 1.00 43.01 H new ATOM 0 HD2 LYS A 19 -3.968 -11.038 -3.122 1.00 5.44 H new ATOM 0 HD3 LYS A 19 -2.421 -10.277 -3.433 1.00 5.44 H new ATOM 0 HE2 LYS A 19 -1.217 -12.320 -2.813 1.00 21.21 H new ATOM 0 HE3 LYS A 19 -2.698 -13.084 -2.271 1.00 21.21 H new ATOM 0 HZ1 LYS A 19 -2.080 -13.833 -4.470 1.00 51.44 H new ATOM 0 HZ2 LYS A 19 -3.548 -12.983 -4.537 1.00 51.44 H new ATOM 0 HZ3 LYS A 19 -2.113 -12.242 -5.062 1.00 51.44 H new ATOM 339 N LYS A 20 -4.388 -12.844 2.372 1.00 53.12 N ATOM 340 CA LYS A 20 -5.261 -13.760 3.140 1.00 70.04 C ATOM 341 C LYS A 20 -5.610 -13.184 4.534 1.00 1.24 C ATOM 342 O LYS A 20 -6.732 -13.386 5.019 1.00 11.02 O ATOM 343 CB LYS A 20 -4.626 -15.173 3.265 1.00 5.34 C ATOM 344 CG LYS A 20 -4.242 -15.858 1.926 1.00 31.34 C ATOM 345 CD LYS A 20 -5.382 -15.916 0.881 1.00 33.43 C ATOM 346 CE LYS A 20 -6.607 -16.723 1.335 1.00 51.02 C ATOM 347 NZ LYS A 20 -7.720 -16.605 0.357 1.00 20.13 N ATOM 0 H LYS A 20 -3.445 -13.202 2.221 1.00 53.12 H new ATOM 0 HA LYS A 20 -6.193 -13.859 2.583 1.00 70.04 H new ATOM 0 HB2 LYS A 20 -3.731 -15.096 3.882 1.00 5.34 H new ATOM 0 HB3 LYS A 20 -5.325 -15.820 3.796 1.00 5.34 H new ATOM 0 HG2 LYS A 20 -3.395 -15.327 1.491 1.00 31.34 H new ATOM 0 HG3 LYS A 20 -3.907 -16.874 2.136 1.00 31.34 H new ATOM 0 HD2 LYS A 20 -5.697 -14.899 0.645 1.00 33.43 H new ATOM 0 HD3 LYS A 20 -4.994 -16.351 -0.040 1.00 33.43 H new ATOM 0 HE2 LYS A 20 -6.332 -17.771 1.453 1.00 51.02 H new ATOM 0 HE3 LYS A 20 -6.938 -16.369 2.311 1.00 51.02 H new ATOM 0 HZ1 LYS A 20 -8.301 -17.467 0.386 1.00 20.13 H new ATOM 0 HZ2 LYS A 20 -8.309 -15.783 0.599 1.00 20.13 H new ATOM 0 HZ3 LYS A 20 -7.330 -16.482 -0.599 1.00 20.13 H new ATOM 361 N GLU A 21 -4.648 -12.460 5.161 1.00 10.21 N ATOM 362 CA GLU A 21 -4.875 -11.728 6.434 1.00 2.41 C ATOM 363 C GLU A 21 -6.012 -10.698 6.266 1.00 10.34 C ATOM 364 O GLU A 21 -7.017 -10.721 6.981 1.00 41.42 O ATOM 365 CB GLU A 21 -3.575 -10.982 6.891 1.00 62.02 C ATOM 366 CG GLU A 21 -2.444 -11.876 7.446 1.00 32.03 C ATOM 367 CD GLU A 21 -2.810 -12.580 8.766 1.00 41.54 C ATOM 368 OE1 GLU A 21 -3.299 -11.897 9.694 1.00 11.40 O ATOM 369 OE2 GLU A 21 -2.582 -13.802 8.903 1.00 10.51 O ATOM 0 H GLU A 21 -3.698 -12.367 4.801 1.00 10.21 H new ATOM 0 HA GLU A 21 -5.151 -12.460 7.192 1.00 2.41 H new ATOM 0 HB2 GLU A 21 -3.184 -10.420 6.043 1.00 62.02 H new ATOM 0 HB3 GLU A 21 -3.846 -10.255 7.657 1.00 62.02 H new ATOM 0 HG2 GLU A 21 -2.188 -12.629 6.701 1.00 32.03 H new ATOM 0 HG3 GLU A 21 -1.554 -11.267 7.603 1.00 32.03 H new ATOM 376 N VAL A 22 -5.835 -9.850 5.254 1.00 71.40 N ATOM 377 CA VAL A 22 -6.640 -8.640 5.016 1.00 62.35 C ATOM 378 C VAL A 22 -8.080 -8.974 4.559 1.00 0.32 C ATOM 379 O VAL A 22 -9.025 -8.214 4.851 1.00 51.21 O ATOM 380 CB VAL A 22 -5.886 -7.742 3.976 1.00 23.22 C ATOM 381 CG1 VAL A 22 -6.676 -6.484 3.606 1.00 75.24 C ATOM 382 CG2 VAL A 22 -4.486 -7.365 4.506 1.00 43.41 C ATOM 0 H VAL A 22 -5.107 -9.985 4.553 1.00 71.40 H new ATOM 0 HA VAL A 22 -6.754 -8.094 5.953 1.00 62.35 H new ATOM 0 HB VAL A 22 -5.779 -8.329 3.064 1.00 23.22 H new ATOM 0 HG11 VAL A 22 -6.109 -5.898 2.883 1.00 75.24 H new ATOM 0 HG12 VAL A 22 -7.633 -6.770 3.170 1.00 75.24 H new ATOM 0 HG13 VAL A 22 -6.849 -5.887 4.501 1.00 75.24 H new ATOM 0 HG21 VAL A 22 -3.975 -6.741 3.772 1.00 43.41 H new ATOM 0 HG22 VAL A 22 -4.587 -6.816 5.442 1.00 43.41 H new ATOM 0 HG23 VAL A 22 -3.906 -8.272 4.678 1.00 43.41 H new ATOM 392 N GLU A 23 -8.232 -10.116 3.857 1.00 14.12 N ATOM 393 CA GLU A 23 -9.555 -10.682 3.516 1.00 61.52 C ATOM 394 C GLU A 23 -10.360 -10.933 4.806 1.00 14.22 C ATOM 395 O GLU A 23 -11.503 -10.491 4.935 1.00 22.44 O ATOM 396 CB GLU A 23 -9.394 -12.016 2.731 1.00 44.32 C ATOM 397 CG GLU A 23 -8.883 -11.871 1.285 1.00 41.23 C ATOM 398 CD GLU A 23 -8.528 -13.220 0.627 1.00 74.03 C ATOM 399 OE1 GLU A 23 -9.371 -14.146 0.653 1.00 44.14 O ATOM 400 OE2 GLU A 23 -7.405 -13.373 0.100 1.00 1.15 O ATOM 0 H GLU A 23 -7.447 -10.669 3.512 1.00 14.12 H new ATOM 0 HA GLU A 23 -10.087 -9.969 2.886 1.00 61.52 H new ATOM 0 HB2 GLU A 23 -8.706 -12.660 3.279 1.00 44.32 H new ATOM 0 HB3 GLU A 23 -10.358 -12.524 2.709 1.00 44.32 H new ATOM 0 HG2 GLU A 23 -9.644 -11.371 0.686 1.00 41.23 H new ATOM 0 HG3 GLU A 23 -8.002 -11.229 1.281 1.00 41.23 H new ATOM 407 N ASN A 24 -9.698 -11.600 5.771 1.00 63.14 N ATOM 408 CA ASN A 24 -10.291 -11.990 7.067 1.00 72.23 C ATOM 409 C ASN A 24 -10.554 -10.759 7.964 1.00 42.43 C ATOM 410 O ASN A 24 -11.424 -10.798 8.841 1.00 14.43 O ATOM 411 CB ASN A 24 -9.353 -13.006 7.782 1.00 20.32 C ATOM 412 CG ASN A 24 -9.244 -14.346 7.043 1.00 41.33 C ATOM 413 OD1 ASN A 24 -10.210 -14.823 6.437 1.00 12.25 O ATOM 414 ND2 ASN A 24 -8.068 -14.953 7.059 1.00 63.11 N ATOM 0 H ASN A 24 -8.724 -11.887 5.672 1.00 63.14 H new ATOM 0 HA ASN A 24 -11.256 -12.462 6.879 1.00 72.23 H new ATOM 0 HB2 ASN A 24 -8.359 -12.569 7.878 1.00 20.32 H new ATOM 0 HB3 ASN A 24 -9.722 -13.184 8.792 1.00 20.32 H new ATOM 0 HD21 ASN A 24 -7.943 -15.836 6.563 1.00 63.11 H new ATOM 0 HD22 ASN A 24 -7.287 -14.538 7.567 1.00 63.11 H new ATOM 421 N GLN A 25 -9.799 -9.668 7.726 1.00 64.53 N ATOM 422 CA GLN A 25 -9.955 -8.396 8.470 1.00 44.34 C ATOM 423 C GLN A 25 -11.194 -7.606 7.991 1.00 55.24 C ATOM 424 O GLN A 25 -11.636 -6.671 8.668 1.00 13.33 O ATOM 425 CB GLN A 25 -8.676 -7.526 8.328 1.00 62.23 C ATOM 426 CG GLN A 25 -7.402 -8.160 8.922 1.00 53.22 C ATOM 427 CD GLN A 25 -7.476 -8.430 10.429 1.00 23.15 C ATOM 428 OE1 GLN A 25 -8.153 -7.725 11.186 1.00 71.43 O ATOM 429 NE2 GLN A 25 -6.754 -9.441 10.882 1.00 20.52 N ATOM 0 H GLN A 25 -9.066 -9.640 7.017 1.00 64.53 H new ATOM 0 HA GLN A 25 -10.103 -8.644 9.521 1.00 44.34 H new ATOM 0 HB2 GLN A 25 -8.506 -7.322 7.271 1.00 62.23 H new ATOM 0 HB3 GLN A 25 -8.849 -6.566 8.814 1.00 62.23 H new ATOM 0 HG2 GLN A 25 -7.203 -9.099 8.406 1.00 53.22 H new ATOM 0 HG3 GLN A 25 -6.556 -7.502 8.724 1.00 53.22 H new ATOM 0 HE21 GLN A 25 -6.205 -10.006 10.234 1.00 20.52 H new ATOM 0 HE22 GLN A 25 -6.746 -9.656 11.879 1.00 20.52 H new ATOM 438 N GLY A 26 -11.732 -7.986 6.820 1.00 43.33 N ATOM 439 CA GLY A 26 -12.937 -7.362 6.256 1.00 75.21 C ATOM 440 C GLY A 26 -12.626 -6.195 5.327 1.00 44.04 C ATOM 441 O GLY A 26 -13.509 -5.380 5.032 1.00 61.25 O ATOM 0 H GLY A 26 -11.345 -8.731 6.241 1.00 43.33 H new ATOM 0 HA2 GLY A 26 -13.506 -8.113 5.708 1.00 75.21 H new ATOM 0 HA3 GLY A 26 -13.572 -7.012 7.069 1.00 75.21 H new ATOM 445 N TYR A 27 -11.370 -6.121 4.854 1.00 51.34 N ATOM 446 CA TYR A 27 -10.922 -5.088 3.898 1.00 23.40 C ATOM 447 C TYR A 27 -10.964 -5.652 2.470 1.00 34.44 C ATOM 448 O TYR A 27 -10.923 -6.879 2.274 1.00 72.34 O ATOM 449 CB TYR A 27 -9.476 -4.625 4.216 1.00 40.15 C ATOM 450 CG TYR A 27 -9.279 -3.788 5.485 1.00 33.24 C ATOM 451 CD1 TYR A 27 -9.930 -4.103 6.680 1.00 52.20 C ATOM 452 CD2 TYR A 27 -8.426 -2.674 5.484 1.00 12.21 C ATOM 453 CE1 TYR A 27 -9.748 -3.343 7.813 1.00 55.42 C ATOM 454 CE2 TYR A 27 -8.247 -1.915 6.617 1.00 22.41 C ATOM 455 CZ TYR A 27 -8.905 -2.255 7.775 1.00 4.14 C ATOM 456 OH TYR A 27 -8.748 -1.482 8.897 1.00 53.42 O ATOM 0 H TYR A 27 -10.635 -6.775 5.123 1.00 51.34 H new ATOM 0 HA TYR A 27 -11.592 -4.233 3.984 1.00 23.40 H new ATOM 0 HB2 TYR A 27 -8.845 -5.511 4.293 1.00 40.15 H new ATOM 0 HB3 TYR A 27 -9.111 -4.046 3.368 1.00 40.15 H new ATOM 0 HD1 TYR A 27 -10.588 -4.959 6.716 1.00 52.20 H new ATOM 0 HD2 TYR A 27 -7.901 -2.408 4.578 1.00 12.21 H new ATOM 0 HE1 TYR A 27 -10.264 -3.599 8.727 1.00 55.42 H new ATOM 0 HE2 TYR A 27 -7.593 -1.056 6.597 1.00 22.41 H new ATOM 0 HH TYR A 27 -9.100 -1.961 9.676 1.00 53.42 H new ATOM 466 N GLN A 28 -11.012 -4.744 1.482 1.00 24.43 N ATOM 467 CA GLN A 28 -10.974 -5.097 0.061 1.00 71.41 C ATOM 468 C GLN A 28 -9.501 -5.205 -0.355 1.00 41.32 C ATOM 469 O GLN A 28 -8.780 -4.205 -0.326 1.00 44.23 O ATOM 470 CB GLN A 28 -11.714 -4.021 -0.805 1.00 63.42 C ATOM 471 CG GLN A 28 -13.206 -3.793 -0.444 1.00 73.24 C ATOM 472 CD GLN A 28 -13.438 -3.071 0.898 1.00 43.42 C ATOM 473 OE1 GLN A 28 -12.646 -2.233 1.318 1.00 61.22 O ATOM 474 NE2 GLN A 28 -14.526 -3.397 1.582 1.00 43.20 N ATOM 0 H GLN A 28 -11.079 -3.740 1.652 1.00 24.43 H new ATOM 0 HA GLN A 28 -11.485 -6.046 -0.101 1.00 71.41 H new ATOM 0 HB2 GLN A 28 -11.185 -3.073 -0.708 1.00 63.42 H new ATOM 0 HB3 GLN A 28 -11.651 -4.315 -1.853 1.00 63.42 H new ATOM 0 HG2 GLN A 28 -13.674 -3.213 -1.239 1.00 73.24 H new ATOM 0 HG3 GLN A 28 -13.711 -4.759 -0.414 1.00 73.24 H new ATOM 0 HE21 GLN A 28 -15.170 -4.097 1.213 1.00 43.20 H new ATOM 0 HE22 GLN A 28 -14.719 -2.948 2.477 1.00 43.20 H new ATOM 483 N VAL A 29 -9.052 -6.428 -0.685 1.00 2.12 N ATOM 484 CA VAL A 29 -7.672 -6.684 -1.124 1.00 75.24 C ATOM 485 C VAL A 29 -7.585 -6.517 -2.642 1.00 44.53 C ATOM 486 O VAL A 29 -8.158 -7.319 -3.392 1.00 2.13 O ATOM 487 CB VAL A 29 -7.167 -8.126 -0.757 1.00 51.03 C ATOM 488 CG1 VAL A 29 -5.664 -8.280 -1.101 1.00 63.22 C ATOM 489 CG2 VAL A 29 -7.447 -8.463 0.715 1.00 31.34 C ATOM 0 H VAL A 29 -9.635 -7.264 -0.655 1.00 2.12 H new ATOM 0 HA VAL A 29 -7.038 -5.966 -0.603 1.00 75.24 H new ATOM 0 HB VAL A 29 -7.725 -8.843 -1.359 1.00 51.03 H new ATOM 0 HG11 VAL A 29 -5.332 -9.285 -0.840 1.00 63.22 H new ATOM 0 HG12 VAL A 29 -5.516 -8.115 -2.168 1.00 63.22 H new ATOM 0 HG13 VAL A 29 -5.085 -7.549 -0.537 1.00 63.22 H new ATOM 0 HG21 VAL A 29 -7.085 -9.467 0.934 1.00 31.34 H new ATOM 0 HG22 VAL A 29 -6.936 -7.745 1.356 1.00 31.34 H new ATOM 0 HG23 VAL A 29 -8.520 -8.416 0.901 1.00 31.34 H new ATOM 499 N ARG A 30 -6.894 -5.465 -3.091 1.00 33.31 N ATOM 500 CA ARG A 30 -6.642 -5.221 -4.518 1.00 51.10 C ATOM 501 C ARG A 30 -5.125 -5.128 -4.730 1.00 31.44 C ATOM 502 O ARG A 30 -4.511 -4.126 -4.367 1.00 61.32 O ATOM 503 CB ARG A 30 -7.333 -3.894 -4.950 1.00 62.45 C ATOM 504 CG ARG A 30 -8.855 -3.846 -4.694 1.00 34.32 C ATOM 505 CD ARG A 30 -9.470 -2.468 -5.023 1.00 3.15 C ATOM 506 NE ARG A 30 -10.938 -2.463 -4.877 1.00 11.24 N ATOM 507 CZ ARG A 30 -11.804 -2.806 -5.840 1.00 41.02 C ATOM 508 NH1 ARG A 30 -11.383 -3.184 -7.043 1.00 23.51 N ATOM 509 NH2 ARG A 30 -13.104 -2.731 -5.612 1.00 32.22 N ATOM 0 H ARG A 30 -6.492 -4.757 -2.476 1.00 33.31 H new ATOM 0 HA ARG A 30 -7.048 -6.033 -5.122 1.00 51.10 H new ATOM 0 HB2 ARG A 30 -6.863 -3.066 -4.419 1.00 62.45 H new ATOM 0 HB3 ARG A 30 -7.152 -3.735 -6.013 1.00 62.45 H new ATOM 0 HG2 ARG A 30 -9.345 -4.611 -5.296 1.00 34.32 H new ATOM 0 HG3 ARG A 30 -9.052 -4.087 -3.649 1.00 34.32 H new ATOM 0 HD2 ARG A 30 -9.039 -1.713 -4.365 1.00 3.15 H new ATOM 0 HD3 ARG A 30 -9.207 -2.189 -6.043 1.00 3.15 H new ATOM 0 HE ARG A 30 -11.322 -2.177 -3.976 1.00 11.24 H new ATOM 0 HH11 ARG A 30 -10.384 -3.217 -7.247 1.00 23.51 H new ATOM 0 HH12 ARG A 30 -12.059 -3.441 -7.762 1.00 23.51 H new ATOM 0 HH21 ARG A 30 -13.445 -2.413 -4.705 1.00 32.22 H new ATOM 0 HH22 ARG A 30 -13.766 -2.991 -6.343 1.00 32.22 H new ATOM 523 N ASP A 31 -4.528 -6.176 -5.316 1.00 73.24 N ATOM 524 CA ASP A 31 -3.088 -6.198 -5.640 1.00 61.41 C ATOM 525 C ASP A 31 -2.888 -5.619 -7.046 1.00 2.21 C ATOM 526 O ASP A 31 -3.795 -5.681 -7.883 1.00 40.05 O ATOM 527 CB ASP A 31 -2.499 -7.637 -5.529 1.00 34.13 C ATOM 528 CG ASP A 31 -3.102 -8.641 -6.533 1.00 4.43 C ATOM 529 OD1 ASP A 31 -4.234 -9.127 -6.298 1.00 41.50 O ATOM 530 OD2 ASP A 31 -2.453 -8.948 -7.564 1.00 11.41 O ATOM 0 H ASP A 31 -5.023 -7.028 -5.579 1.00 73.24 H new ATOM 0 HA ASP A 31 -2.549 -5.586 -4.917 1.00 61.41 H new ATOM 0 HB2 ASP A 31 -1.421 -7.590 -5.681 1.00 34.13 H new ATOM 0 HB3 ASP A 31 -2.662 -8.008 -4.517 1.00 34.13 H new ATOM 535 N VAL A 32 -1.717 -5.019 -7.287 1.00 3.44 N ATOM 536 CA VAL A 32 -1.373 -4.400 -8.574 1.00 4.35 C ATOM 537 C VAL A 32 0.011 -4.907 -9.009 1.00 22.45 C ATOM 538 O VAL A 32 0.997 -4.745 -8.291 1.00 51.11 O ATOM 539 CB VAL A 32 -1.384 -2.820 -8.475 1.00 11.43 C ATOM 540 CG1 VAL A 32 -0.940 -2.166 -9.803 1.00 3.20 C ATOM 541 CG2 VAL A 32 -2.776 -2.282 -8.030 1.00 61.41 C ATOM 0 H VAL A 32 -0.975 -4.948 -6.590 1.00 3.44 H new ATOM 0 HA VAL A 32 -2.120 -4.680 -9.317 1.00 4.35 H new ATOM 0 HB VAL A 32 -0.661 -2.543 -7.708 1.00 11.43 H new ATOM 0 HG11 VAL A 32 -0.959 -1.081 -9.699 1.00 3.20 H new ATOM 0 HG12 VAL A 32 0.072 -2.489 -10.047 1.00 3.20 H new ATOM 0 HG13 VAL A 32 -1.619 -2.466 -10.601 1.00 3.20 H new ATOM 0 HG21 VAL A 32 -2.744 -1.194 -7.973 1.00 61.41 H new ATOM 0 HG22 VAL A 32 -3.532 -2.586 -8.754 1.00 61.41 H new ATOM 0 HG23 VAL A 32 -3.027 -2.689 -7.051 1.00 61.41 H new ATOM 551 N ASN A 33 0.068 -5.534 -10.186 1.00 3.41 N ATOM 552 CA ASN A 33 1.319 -6.049 -10.783 1.00 12.35 C ATOM 553 C ASN A 33 1.455 -5.558 -12.236 1.00 54.14 C ATOM 554 O ASN A 33 2.277 -6.068 -13.007 1.00 70.22 O ATOM 555 CB ASN A 33 1.355 -7.605 -10.700 1.00 4.43 C ATOM 556 CG ASN A 33 0.110 -8.286 -11.290 1.00 42.04 C ATOM 557 OD1 ASN A 33 0.036 -8.548 -12.487 1.00 23.21 O ATOM 558 ND2 ASN A 33 -0.873 -8.594 -10.452 1.00 14.14 N ATOM 0 H ASN A 33 -0.756 -5.704 -10.763 1.00 3.41 H new ATOM 0 HA ASN A 33 2.170 -5.666 -10.219 1.00 12.35 H new ATOM 0 HB2 ASN A 33 2.239 -7.967 -11.225 1.00 4.43 H new ATOM 0 HB3 ASN A 33 1.460 -7.902 -9.656 1.00 4.43 H new ATOM 0 HD21 ASN A 33 -1.712 -9.058 -10.799 1.00 14.14 H new ATOM 0 HD22 ASN A 33 -0.789 -8.366 -9.461 1.00 14.14 H new ATOM 565 N ASP A 34 0.680 -4.509 -12.569 1.00 53.14 N ATOM 566 CA ASP A 34 0.583 -3.957 -13.930 1.00 11.32 C ATOM 567 C ASP A 34 -0.009 -2.530 -13.880 1.00 44.34 C ATOM 568 O ASP A 34 -0.786 -2.209 -12.975 1.00 70.40 O ATOM 569 CB ASP A 34 -0.275 -4.908 -14.820 1.00 4.54 C ATOM 570 CG ASP A 34 -0.664 -4.313 -16.181 1.00 64.41 C ATOM 571 OD1 ASP A 34 0.235 -3.994 -16.982 1.00 44.10 O ATOM 572 OD2 ASP A 34 -1.871 -4.144 -16.438 1.00 63.42 O ATOM 0 H ASP A 34 0.098 -4.017 -11.892 1.00 53.14 H new ATOM 0 HA ASP A 34 1.577 -3.886 -14.373 1.00 11.32 H new ATOM 0 HB2 ASP A 34 0.279 -5.832 -14.985 1.00 4.54 H new ATOM 0 HB3 ASP A 34 -1.183 -5.173 -14.279 1.00 4.54 H new ATOM 577 N SER A 35 0.366 -1.688 -14.862 1.00 24.01 N ATOM 578 CA SER A 35 -0.071 -0.279 -14.953 1.00 63.03 C ATOM 579 C SER A 35 -1.581 -0.158 -15.239 1.00 24.13 C ATOM 580 O SER A 35 -2.257 0.725 -14.699 1.00 34.43 O ATOM 581 CB SER A 35 0.728 0.438 -16.054 1.00 13.34 C ATOM 582 OG SER A 35 2.118 0.303 -15.839 1.00 72.32 O ATOM 0 H SER A 35 0.986 -1.968 -15.622 1.00 24.01 H new ATOM 0 HA SER A 35 0.118 0.191 -13.988 1.00 63.03 H new ATOM 0 HB2 SER A 35 0.465 0.024 -17.028 1.00 13.34 H new ATOM 0 HB3 SER A 35 0.460 1.494 -16.074 1.00 13.34 H new ATOM 0 HG SER A 35 2.606 0.765 -16.552 1.00 72.32 H new ATOM 588 N ASP A 36 -2.111 -1.076 -16.062 1.00 55.42 N ATOM 589 CA ASP A 36 -3.533 -1.054 -16.461 1.00 52.55 C ATOM 590 C ASP A 36 -4.405 -1.597 -15.324 1.00 45.41 C ATOM 591 O ASP A 36 -5.607 -1.340 -15.284 1.00 72.43 O ATOM 592 CB ASP A 36 -3.780 -1.819 -17.788 1.00 22.42 C ATOM 593 CG ASP A 36 -3.089 -1.153 -18.992 1.00 51.04 C ATOM 594 OD1 ASP A 36 -1.907 -1.463 -19.260 1.00 11.10 O ATOM 595 OD2 ASP A 36 -3.724 -0.306 -19.668 1.00 30.13 O ATOM 0 H ASP A 36 -1.578 -1.846 -16.467 1.00 55.42 H new ATOM 0 HA ASP A 36 -3.815 -0.018 -16.649 1.00 52.55 H new ATOM 0 HB2 ASP A 36 -3.418 -2.842 -17.686 1.00 22.42 H new ATOM 0 HB3 ASP A 36 -4.852 -1.877 -17.975 1.00 22.42 H new ATOM 600 N GLU A 37 -3.786 -2.360 -14.404 1.00 50.40 N ATOM 601 CA GLU A 37 -4.436 -2.790 -13.158 1.00 53.53 C ATOM 602 C GLU A 37 -4.671 -1.600 -12.213 1.00 0.30 C ATOM 603 O GLU A 37 -5.775 -1.451 -11.689 1.00 3.31 O ATOM 604 CB GLU A 37 -3.598 -3.896 -12.462 1.00 73.04 C ATOM 605 CG GLU A 37 -3.665 -5.262 -13.169 1.00 34.21 C ATOM 606 CD GLU A 37 -5.080 -5.878 -13.146 1.00 43.42 C ATOM 607 OE1 GLU A 37 -5.503 -6.374 -12.078 1.00 2.35 O ATOM 608 OE2 GLU A 37 -5.774 -5.875 -14.187 1.00 33.40 O ATOM 0 H GLU A 37 -2.827 -2.693 -14.505 1.00 50.40 H new ATOM 0 HA GLU A 37 -5.411 -3.206 -13.411 1.00 53.53 H new ATOM 0 HB2 GLU A 37 -2.558 -3.574 -12.412 1.00 73.04 H new ATOM 0 HB3 GLU A 37 -3.946 -4.011 -11.435 1.00 73.04 H new ATOM 0 HG2 GLU A 37 -3.340 -5.147 -14.203 1.00 34.21 H new ATOM 0 HG3 GLU A 37 -2.967 -5.949 -12.690 1.00 34.21 H new ATOM 615 N LEU A 38 -3.642 -0.726 -12.032 1.00 22.31 N ATOM 616 CA LEU A 38 -3.728 0.391 -11.060 1.00 50.14 C ATOM 617 C LEU A 38 -4.848 1.366 -11.466 1.00 25.21 C ATOM 618 O LEU A 38 -5.631 1.782 -10.622 1.00 72.34 O ATOM 619 CB LEU A 38 -2.338 1.116 -10.850 1.00 4.14 C ATOM 620 CG LEU A 38 -1.875 2.247 -11.868 1.00 3.20 C ATOM 621 CD1 LEU A 38 -2.404 3.659 -11.493 1.00 30.34 C ATOM 622 CD2 LEU A 38 -0.338 2.286 -12.020 1.00 23.12 C ATOM 0 H LEU A 38 -2.759 -0.775 -12.539 1.00 22.31 H new ATOM 0 HA LEU A 38 -3.987 -0.028 -10.088 1.00 50.14 H new ATOM 0 HB2 LEU A 38 -2.350 1.560 -9.854 1.00 4.14 H new ATOM 0 HB3 LEU A 38 -1.567 0.346 -10.847 1.00 4.14 H new ATOM 0 HG LEU A 38 -2.319 1.974 -12.825 1.00 3.20 H new ATOM 0 HD11 LEU A 38 -2.053 4.385 -12.226 1.00 30.34 H new ATOM 0 HD12 LEU A 38 -3.494 3.649 -11.485 1.00 30.34 H new ATOM 0 HD13 LEU A 38 -2.036 3.935 -10.505 1.00 30.34 H new ATOM 0 HD21 LEU A 38 -0.062 3.071 -12.724 1.00 23.12 H new ATOM 0 HD22 LEU A 38 0.118 2.490 -11.051 1.00 23.12 H new ATOM 0 HD23 LEU A 38 0.015 1.325 -12.393 1.00 23.12 H new ATOM 634 N LYS A 39 -4.961 1.656 -12.784 1.00 52.33 N ATOM 635 CA LYS A 39 -5.949 2.631 -13.294 1.00 41.31 C ATOM 636 C LYS A 39 -7.405 2.142 -13.055 1.00 3.10 C ATOM 637 O LYS A 39 -8.312 2.957 -12.917 1.00 31.04 O ATOM 638 CB LYS A 39 -5.698 2.956 -14.800 1.00 33.25 C ATOM 639 CG LYS A 39 -6.014 1.800 -15.770 1.00 15.44 C ATOM 640 CD LYS A 39 -5.743 2.134 -17.258 1.00 31.33 C ATOM 641 CE LYS A 39 -4.274 2.485 -17.552 1.00 22.44 C ATOM 642 NZ LYS A 39 -4.015 2.625 -19.012 1.00 12.04 N ATOM 0 H LYS A 39 -4.383 1.230 -13.508 1.00 52.33 H new ATOM 0 HA LYS A 39 -5.819 3.555 -12.731 1.00 41.31 H new ATOM 0 HB2 LYS A 39 -6.302 3.820 -15.077 1.00 33.25 H new ATOM 0 HB3 LYS A 39 -4.654 3.243 -14.927 1.00 33.25 H new ATOM 0 HG2 LYS A 39 -5.419 0.931 -15.489 1.00 15.44 H new ATOM 0 HG3 LYS A 39 -7.061 1.520 -15.656 1.00 15.44 H new ATOM 0 HD2 LYS A 39 -6.034 1.282 -17.872 1.00 31.33 H new ATOM 0 HD3 LYS A 39 -6.375 2.971 -17.555 1.00 31.33 H new ATOM 0 HE2 LYS A 39 -4.016 3.416 -17.047 1.00 22.44 H new ATOM 0 HE3 LYS A 39 -3.627 1.710 -17.142 1.00 22.44 H new ATOM 0 HZ1 LYS A 39 -3.164 3.204 -19.160 1.00 12.04 H new ATOM 0 HZ2 LYS A 39 -3.870 1.684 -19.431 1.00 12.04 H new ATOM 0 HZ3 LYS A 39 -4.830 3.085 -19.467 1.00 12.04 H new ATOM 656 N LYS A 40 -7.599 0.807 -12.992 1.00 24.54 N ATOM 657 CA LYS A 40 -8.894 0.186 -12.635 1.00 53.24 C ATOM 658 C LYS A 40 -9.207 0.416 -11.142 1.00 44.54 C ATOM 659 O LYS A 40 -10.250 0.983 -10.802 1.00 24.10 O ATOM 660 CB LYS A 40 -8.846 -1.336 -12.921 1.00 43.00 C ATOM 661 CG LYS A 40 -8.730 -1.736 -14.409 1.00 0.32 C ATOM 662 CD LYS A 40 -8.305 -3.221 -14.579 1.00 71.22 C ATOM 663 CE LYS A 40 -9.216 -4.215 -13.824 1.00 51.13 C ATOM 664 NZ LYS A 40 -8.681 -5.605 -13.866 1.00 12.22 N ATOM 0 H LYS A 40 -6.862 0.129 -13.187 1.00 24.54 H new ATOM 0 HA LYS A 40 -9.677 0.646 -13.238 1.00 53.24 H new ATOM 0 HB2 LYS A 40 -7.999 -1.761 -12.383 1.00 43.00 H new ATOM 0 HB3 LYS A 40 -9.747 -1.793 -12.510 1.00 43.00 H new ATOM 0 HG2 LYS A 40 -9.687 -1.574 -14.904 1.00 0.32 H new ATOM 0 HG3 LYS A 40 -8.002 -1.092 -14.902 1.00 0.32 H new ATOM 0 HD2 LYS A 40 -8.308 -3.472 -15.640 1.00 71.22 H new ATOM 0 HD3 LYS A 40 -7.281 -3.340 -14.226 1.00 71.22 H new ATOM 0 HE2 LYS A 40 -9.318 -3.897 -12.786 1.00 51.13 H new ATOM 0 HE3 LYS A 40 -10.214 -4.197 -14.262 1.00 51.13 H new ATOM 0 HZ1 LYS A 40 -8.896 -6.087 -12.970 1.00 12.22 H new ATOM 0 HZ2 LYS A 40 -9.122 -6.123 -14.652 1.00 12.22 H new ATOM 0 HZ3 LYS A 40 -7.651 -5.576 -14.005 1.00 12.22 H new ATOM 678 N GLU A 41 -8.257 -0.005 -10.273 1.00 51.43 N ATOM 679 CA GLU A 41 -8.444 -0.046 -8.804 1.00 72.13 C ATOM 680 C GLU A 41 -8.644 1.367 -8.223 1.00 13.50 C ATOM 681 O GLU A 41 -9.456 1.566 -7.314 1.00 72.03 O ATOM 682 CB GLU A 41 -7.236 -0.750 -8.106 1.00 35.40 C ATOM 683 CG GLU A 41 -6.799 -2.102 -8.729 1.00 62.00 C ATOM 684 CD GLU A 41 -7.968 -3.050 -9.084 1.00 1.53 C ATOM 685 OE1 GLU A 41 -8.682 -3.500 -8.166 1.00 23.33 O ATOM 686 OE2 GLU A 41 -8.176 -3.349 -10.279 1.00 41.23 O ATOM 0 H GLU A 41 -7.337 -0.327 -10.573 1.00 51.43 H new ATOM 0 HA GLU A 41 -9.346 -0.625 -8.607 1.00 72.13 H new ATOM 0 HB2 GLU A 41 -6.384 -0.071 -8.121 1.00 35.40 H new ATOM 0 HB3 GLU A 41 -7.491 -0.918 -7.060 1.00 35.40 H new ATOM 0 HG2 GLU A 41 -6.222 -1.902 -9.632 1.00 62.00 H new ATOM 0 HG3 GLU A 41 -6.133 -2.611 -8.032 1.00 62.00 H new ATOM 693 N MET A 42 -7.899 2.338 -8.782 1.00 41.42 N ATOM 694 CA MET A 42 -7.959 3.748 -8.366 1.00 33.14 C ATOM 695 C MET A 42 -9.303 4.386 -8.735 1.00 41.23 C ATOM 696 O MET A 42 -9.798 5.272 -8.022 1.00 34.41 O ATOM 697 CB MET A 42 -6.788 4.553 -8.981 1.00 43.15 C ATOM 698 CG MET A 42 -5.398 4.057 -8.551 1.00 51.24 C ATOM 699 SD MET A 42 -5.236 3.863 -6.769 1.00 75.00 S ATOM 700 CE MET A 42 -5.534 5.527 -6.209 1.00 44.31 C ATOM 0 H MET A 42 -7.236 2.164 -9.538 1.00 41.42 H new ATOM 0 HA MET A 42 -7.865 3.774 -7.280 1.00 33.14 H new ATOM 0 HB2 MET A 42 -6.859 4.507 -10.068 1.00 43.15 H new ATOM 0 HB3 MET A 42 -6.892 5.601 -8.699 1.00 43.15 H new ATOM 0 HG2 MET A 42 -5.195 3.101 -9.034 1.00 51.24 H new ATOM 0 HG3 MET A 42 -4.643 4.760 -8.904 1.00 51.24 H new ATOM 0 HE1 MET A 42 -5.852 5.509 -5.167 1.00 44.31 H new ATOM 0 HE2 MET A 42 -4.618 6.111 -6.299 1.00 44.31 H new ATOM 0 HE3 MET A 42 -6.315 5.982 -6.819 1.00 44.31 H new ATOM 710 N LYS A 43 -9.890 3.926 -9.862 1.00 30.23 N ATOM 711 CA LYS A 43 -11.233 4.353 -10.275 1.00 75.44 C ATOM 712 C LYS A 43 -12.279 3.814 -9.291 1.00 63.21 C ATOM 713 O LYS A 43 -13.143 4.563 -8.885 1.00 2.41 O ATOM 714 CB LYS A 43 -11.576 3.913 -11.725 1.00 3.43 C ATOM 715 CG LYS A 43 -10.876 4.746 -12.822 1.00 0.12 C ATOM 716 CD LYS A 43 -11.297 4.329 -14.254 1.00 22.14 C ATOM 717 CE LYS A 43 -12.810 4.483 -14.504 1.00 60.40 C ATOM 718 NZ LYS A 43 -13.192 4.087 -15.887 1.00 2.24 N ATOM 0 H LYS A 43 -9.450 3.260 -10.497 1.00 30.23 H new ATOM 0 HA LYS A 43 -11.247 5.443 -10.263 1.00 75.44 H new ATOM 0 HB2 LYS A 43 -11.302 2.865 -11.849 1.00 3.43 H new ATOM 0 HB3 LYS A 43 -12.655 3.979 -11.867 1.00 3.43 H new ATOM 0 HG2 LYS A 43 -11.107 5.801 -12.673 1.00 0.12 H new ATOM 0 HG3 LYS A 43 -9.796 4.638 -12.720 1.00 0.12 H new ATOM 0 HD2 LYS A 43 -10.751 4.934 -14.978 1.00 22.14 H new ATOM 0 HD3 LYS A 43 -11.010 3.291 -14.424 1.00 22.14 H new ATOM 0 HE2 LYS A 43 -13.359 3.872 -13.788 1.00 60.40 H new ATOM 0 HE3 LYS A 43 -13.102 5.519 -14.330 1.00 60.40 H new ATOM 0 HZ1 LYS A 43 -14.218 4.206 -16.011 1.00 2.24 H new ATOM 0 HZ2 LYS A 43 -12.688 4.686 -16.571 1.00 2.24 H new ATOM 0 HZ3 LYS A 43 -12.937 3.091 -16.046 1.00 2.24 H new ATOM 732 N LYS A 44 -12.148 2.523 -8.890 1.00 72.12 N ATOM 733 CA LYS A 44 -13.112 1.839 -7.972 1.00 12.03 C ATOM 734 C LYS A 44 -13.339 2.633 -6.662 1.00 41.34 C ATOM 735 O LYS A 44 -14.437 2.624 -6.101 1.00 32.22 O ATOM 736 CB LYS A 44 -12.612 0.413 -7.623 1.00 15.12 C ATOM 737 CG LYS A 44 -12.415 -0.524 -8.830 1.00 23.23 C ATOM 738 CD LYS A 44 -13.723 -0.795 -9.608 1.00 71.20 C ATOM 739 CE LYS A 44 -13.542 -1.841 -10.719 1.00 55.41 C ATOM 740 NZ LYS A 44 -14.813 -2.104 -11.438 1.00 4.52 N ATOM 0 H LYS A 44 -11.378 1.925 -9.189 1.00 72.12 H new ATOM 0 HA LYS A 44 -14.062 1.781 -8.502 1.00 12.03 H new ATOM 0 HB2 LYS A 44 -11.665 0.497 -7.090 1.00 15.12 H new ATOM 0 HB3 LYS A 44 -13.324 -0.047 -6.938 1.00 15.12 H new ATOM 0 HG2 LYS A 44 -11.681 -0.086 -9.506 1.00 23.23 H new ATOM 0 HG3 LYS A 44 -12.003 -1.472 -8.483 1.00 23.23 H new ATOM 0 HD2 LYS A 44 -14.491 -1.137 -8.914 1.00 71.20 H new ATOM 0 HD3 LYS A 44 -14.081 0.137 -10.046 1.00 71.20 H new ATOM 0 HE2 LYS A 44 -12.789 -1.494 -11.426 1.00 55.41 H new ATOM 0 HE3 LYS A 44 -13.169 -2.770 -10.287 1.00 55.41 H new ATOM 0 HZ1 LYS A 44 -14.651 -2.815 -12.180 1.00 4.52 H new ATOM 0 HZ2 LYS A 44 -15.524 -2.459 -10.767 1.00 4.52 H new ATOM 0 HZ3 LYS A 44 -15.155 -1.223 -11.871 1.00 4.52 H new ATOM 754 N LEU A 45 -12.265 3.305 -6.207 1.00 1.34 N ATOM 755 CA LEU A 45 -12.270 4.161 -5.005 1.00 31.20 C ATOM 756 C LEU A 45 -13.182 5.390 -5.207 1.00 24.20 C ATOM 757 O LEU A 45 -13.875 5.823 -4.285 1.00 50.31 O ATOM 758 CB LEU A 45 -10.816 4.623 -4.692 1.00 2.24 C ATOM 759 CG LEU A 45 -9.742 3.494 -4.627 1.00 44.34 C ATOM 760 CD1 LEU A 45 -8.333 4.078 -4.410 1.00 62.44 C ATOM 761 CD2 LEU A 45 -10.095 2.438 -3.558 1.00 0.12 C ATOM 0 H LEU A 45 -11.357 3.268 -6.670 1.00 1.34 H new ATOM 0 HA LEU A 45 -12.660 3.584 -4.167 1.00 31.20 H new ATOM 0 HB2 LEU A 45 -10.513 5.343 -5.452 1.00 2.24 H new ATOM 0 HB3 LEU A 45 -10.820 5.149 -3.738 1.00 2.24 H new ATOM 0 HG LEU A 45 -9.739 2.984 -5.590 1.00 44.34 H new ATOM 0 HD11 LEU A 45 -7.606 3.267 -4.369 1.00 62.44 H new ATOM 0 HD12 LEU A 45 -8.085 4.746 -5.235 1.00 62.44 H new ATOM 0 HD13 LEU A 45 -8.310 4.634 -3.473 1.00 62.44 H new ATOM 0 HD21 LEU A 45 -9.325 1.667 -3.540 1.00 0.12 H new ATOM 0 HD22 LEU A 45 -10.153 2.916 -2.580 1.00 0.12 H new ATOM 0 HD23 LEU A 45 -11.057 1.985 -3.798 1.00 0.12 H new ATOM 773 N ALA A 46 -13.152 5.932 -6.439 1.00 0.40 N ATOM 774 CA ALA A 46 -13.909 7.134 -6.842 1.00 4.22 C ATOM 775 C ALA A 46 -15.342 6.793 -7.308 1.00 30.32 C ATOM 776 O ALA A 46 -16.266 7.583 -7.088 1.00 73.44 O ATOM 777 CB ALA A 46 -13.132 7.883 -7.949 1.00 62.40 C ATOM 0 H ALA A 46 -12.591 5.541 -7.196 1.00 0.40 H new ATOM 0 HA ALA A 46 -14.012 7.779 -5.969 1.00 4.22 H new ATOM 0 HB1 ALA A 46 -13.689 8.771 -8.248 1.00 62.40 H new ATOM 0 HB2 ALA A 46 -12.154 8.179 -7.570 1.00 62.40 H new ATOM 0 HB3 ALA A 46 -13.004 7.228 -8.811 1.00 62.40 H new ATOM 783 N GLU A 47 -15.530 5.609 -7.933 1.00 75.20 N ATOM 784 CA GLU A 47 -16.840 5.199 -8.483 1.00 55.43 C ATOM 785 C GLU A 47 -17.769 4.834 -7.321 1.00 54.31 C ATOM 786 O GLU A 47 -18.872 5.386 -7.174 1.00 33.44 O ATOM 787 CB GLU A 47 -16.698 3.977 -9.442 1.00 3.42 C ATOM 788 CG GLU A 47 -15.718 4.140 -10.625 1.00 41.35 C ATOM 789 CD GLU A 47 -16.016 5.342 -11.538 1.00 60.12 C ATOM 790 OE1 GLU A 47 -16.929 5.243 -12.388 1.00 55.45 O ATOM 791 OE2 GLU A 47 -15.337 6.381 -11.417 1.00 42.24 O ATOM 0 H GLU A 47 -14.790 4.921 -8.069 1.00 75.20 H new ATOM 0 HA GLU A 47 -17.253 6.028 -9.057 1.00 55.43 H new ATOM 0 HB2 GLU A 47 -16.382 3.116 -8.853 1.00 3.42 H new ATOM 0 HB3 GLU A 47 -17.683 3.743 -9.845 1.00 3.42 H new ATOM 0 HG2 GLU A 47 -14.706 4.240 -10.231 1.00 41.35 H new ATOM 0 HG3 GLU A 47 -15.738 3.230 -11.225 1.00 41.35 H new ATOM 798 N GLU A 48 -17.287 3.901 -6.487 1.00 53.30 N ATOM 799 CA GLU A 48 -17.952 3.499 -5.251 1.00 65.31 C ATOM 800 C GLU A 48 -17.576 4.497 -4.151 1.00 51.14 C ATOM 801 O GLU A 48 -16.403 4.826 -3.970 1.00 31.22 O ATOM 802 CB GLU A 48 -17.553 2.044 -4.862 1.00 3.00 C ATOM 803 CG GLU A 48 -18.223 0.918 -5.690 1.00 0.21 C ATOM 804 CD GLU A 48 -18.057 1.058 -7.216 1.00 20.12 C ATOM 805 OE1 GLU A 48 -16.950 0.791 -7.738 1.00 62.01 O ATOM 806 OE2 GLU A 48 -19.037 1.446 -7.902 1.00 65.03 O ATOM 0 H GLU A 48 -16.414 3.402 -6.659 1.00 53.30 H new ATOM 0 HA GLU A 48 -19.033 3.507 -5.388 1.00 65.31 H new ATOM 0 HB2 GLU A 48 -16.472 1.946 -4.958 1.00 3.00 H new ATOM 0 HB3 GLU A 48 -17.795 1.889 -3.811 1.00 3.00 H new ATOM 0 HG2 GLU A 48 -17.807 -0.040 -5.379 1.00 0.21 H new ATOM 0 HG3 GLU A 48 -19.287 0.895 -5.454 1.00 0.21 H new ATOM 813 N LYS A 49 -18.588 5.013 -3.457 1.00 73.53 N ATOM 814 CA LYS A 49 -18.423 6.017 -2.397 1.00 65.15 C ATOM 815 C LYS A 49 -18.583 5.357 -1.021 1.00 63.33 C ATOM 816 O LYS A 49 -17.669 5.394 -0.187 1.00 51.34 O ATOM 817 CB LYS A 49 -19.465 7.146 -2.608 1.00 33.15 C ATOM 818 CG LYS A 49 -19.392 7.797 -4.011 1.00 75.15 C ATOM 819 CD LYS A 49 -20.504 8.842 -4.258 1.00 22.41 C ATOM 820 CE LYS A 49 -20.469 9.421 -5.682 1.00 24.22 C ATOM 821 NZ LYS A 49 -21.569 10.396 -5.924 1.00 34.55 N ATOM 0 H LYS A 49 -19.560 4.745 -3.614 1.00 73.53 H new ATOM 0 HA LYS A 49 -17.424 6.450 -2.441 1.00 65.15 H new ATOM 0 HB2 LYS A 49 -20.465 6.740 -2.456 1.00 33.15 H new ATOM 0 HB3 LYS A 49 -19.314 7.915 -1.851 1.00 33.15 H new ATOM 0 HG2 LYS A 49 -18.420 8.275 -4.132 1.00 75.15 H new ATOM 0 HG3 LYS A 49 -19.460 7.017 -4.770 1.00 75.15 H new ATOM 0 HD2 LYS A 49 -21.476 8.381 -4.082 1.00 22.41 H new ATOM 0 HD3 LYS A 49 -20.401 9.654 -3.538 1.00 22.41 H new ATOM 0 HE2 LYS A 49 -19.510 9.911 -5.849 1.00 24.22 H new ATOM 0 HE3 LYS A 49 -20.542 8.608 -6.404 1.00 24.22 H new ATOM 0 HZ1 LYS A 49 -21.504 10.759 -6.897 1.00 34.55 H new ATOM 0 HZ2 LYS A 49 -22.486 9.924 -5.791 1.00 34.55 H new ATOM 0 HZ3 LYS A 49 -21.486 11.187 -5.253 1.00 34.55 H new ATOM 835 N ASN A 50 -19.744 4.708 -0.813 1.00 32.04 N ATOM 836 CA ASN A 50 -20.116 4.112 0.485 1.00 12.40 C ATOM 837 C ASN A 50 -19.532 2.692 0.634 1.00 14.12 C ATOM 838 O ASN A 50 -20.160 1.704 0.247 1.00 41.31 O ATOM 839 CB ASN A 50 -21.664 4.118 0.658 1.00 5.14 C ATOM 840 CG ASN A 50 -22.212 5.531 0.848 1.00 3.20 C ATOM 841 OD1 ASN A 50 -22.392 5.994 1.976 1.00 72.14 O ATOM 842 ND2 ASN A 50 -22.427 6.244 -0.246 1.00 61.32 N ATOM 0 H ASN A 50 -20.450 4.582 -1.538 1.00 32.04 H new ATOM 0 HA ASN A 50 -19.686 4.720 1.281 1.00 12.40 H new ATOM 0 HB2 ASN A 50 -22.129 3.663 -0.217 1.00 5.14 H new ATOM 0 HB3 ASN A 50 -21.935 3.505 1.518 1.00 5.14 H new ATOM 0 HD21 ASN A 50 -22.752 7.208 -0.171 1.00 61.32 H new ATOM 0 HD22 ASN A 50 -22.268 5.830 -1.164 1.00 61.32 H new ATOM 849 N PHE A 51 -18.285 2.643 1.131 1.00 71.31 N ATOM 850 CA PHE A 51 -17.593 1.417 1.586 1.00 52.35 C ATOM 851 C PHE A 51 -16.330 1.837 2.363 1.00 12.15 C ATOM 852 O PHE A 51 -15.808 2.946 2.144 1.00 4.23 O ATOM 853 CB PHE A 51 -17.256 0.417 0.424 1.00 51.41 C ATOM 854 CG PHE A 51 -16.254 0.864 -0.652 1.00 43.43 C ATOM 855 CD1 PHE A 51 -16.188 2.182 -1.108 1.00 23.50 C ATOM 856 CD2 PHE A 51 -15.393 -0.069 -1.240 1.00 0.44 C ATOM 857 CE1 PHE A 51 -15.303 2.547 -2.105 1.00 32.02 C ATOM 858 CE2 PHE A 51 -14.510 0.304 -2.238 1.00 21.00 C ATOM 859 CZ PHE A 51 -14.462 1.611 -2.667 1.00 4.33 C ATOM 0 H PHE A 51 -17.710 3.479 1.232 1.00 71.31 H new ATOM 0 HA PHE A 51 -18.270 0.862 2.236 1.00 52.35 H new ATOM 0 HB2 PHE A 51 -16.874 -0.500 0.874 1.00 51.41 H new ATOM 0 HB3 PHE A 51 -18.190 0.162 -0.077 1.00 51.41 H new ATOM 0 HD1 PHE A 51 -16.838 2.928 -0.675 1.00 23.50 H new ATOM 0 HD2 PHE A 51 -15.418 -1.097 -0.910 1.00 0.44 H new ATOM 0 HE1 PHE A 51 -15.270 3.571 -2.445 1.00 32.02 H new ATOM 0 HE2 PHE A 51 -13.857 -0.433 -2.682 1.00 21.00 H new ATOM 0 HZ PHE A 51 -13.768 1.902 -3.441 1.00 4.33 H new ATOM 869 N GLU A 52 -15.861 0.968 3.277 1.00 21.15 N ATOM 870 CA GLU A 52 -14.763 1.290 4.212 1.00 43.33 C ATOM 871 C GLU A 52 -13.404 1.403 3.490 1.00 52.22 C ATOM 872 O GLU A 52 -13.303 1.143 2.287 1.00 33.10 O ATOM 873 CB GLU A 52 -14.682 0.218 5.338 1.00 64.04 C ATOM 874 CG GLU A 52 -14.249 -1.190 4.873 1.00 64.10 C ATOM 875 CD GLU A 52 -14.176 -2.188 6.038 1.00 22.34 C ATOM 876 OE1 GLU A 52 -13.156 -2.194 6.762 1.00 12.51 O ATOM 877 OE2 GLU A 52 -15.158 -2.937 6.259 1.00 62.32 O ATOM 0 H GLU A 52 -16.231 0.024 3.390 1.00 21.15 H new ATOM 0 HA GLU A 52 -14.984 2.262 4.652 1.00 43.33 H new ATOM 0 HB2 GLU A 52 -13.981 0.564 6.098 1.00 64.04 H new ATOM 0 HB3 GLU A 52 -15.659 0.141 5.816 1.00 64.04 H new ATOM 0 HG2 GLU A 52 -14.953 -1.557 4.126 1.00 64.10 H new ATOM 0 HG3 GLU A 52 -13.274 -1.127 4.389 1.00 64.10 H new ATOM 884 N LYS A 53 -12.390 1.820 4.270 1.00 4.15 N ATOM 885 CA LYS A 53 -10.971 1.897 3.854 1.00 1.31 C ATOM 886 C LYS A 53 -10.480 0.604 3.146 1.00 50.33 C ATOM 887 O LYS A 53 -10.712 -0.512 3.627 1.00 41.53 O ATOM 888 CB LYS A 53 -10.050 2.247 5.077 1.00 44.31 C ATOM 889 CG LYS A 53 -10.007 1.221 6.249 1.00 50.40 C ATOM 890 CD LYS A 53 -11.301 1.199 7.102 1.00 4.41 C ATOM 891 CE LYS A 53 -11.240 0.197 8.262 1.00 24.25 C ATOM 892 NZ LYS A 53 -12.571 -0.080 8.852 1.00 33.23 N ATOM 0 H LYS A 53 -12.535 2.122 5.234 1.00 4.15 H new ATOM 0 HA LYS A 53 -10.903 2.700 3.120 1.00 1.31 H new ATOM 0 HB2 LYS A 53 -9.033 2.381 4.707 1.00 44.31 H new ATOM 0 HB3 LYS A 53 -10.372 3.207 5.480 1.00 44.31 H new ATOM 0 HG2 LYS A 53 -9.833 0.225 5.842 1.00 50.40 H new ATOM 0 HG3 LYS A 53 -9.160 1.455 6.894 1.00 50.40 H new ATOM 0 HD2 LYS A 53 -11.483 2.197 7.501 1.00 4.41 H new ATOM 0 HD3 LYS A 53 -12.147 0.953 6.461 1.00 4.41 H new ATOM 0 HE2 LYS A 53 -10.804 -0.737 7.907 1.00 24.25 H new ATOM 0 HE3 LYS A 53 -10.578 0.584 9.036 1.00 24.25 H new ATOM 0 HZ1 LYS A 53 -12.456 -0.392 9.837 1.00 33.23 H new ATOM 0 HZ2 LYS A 53 -13.148 0.785 8.828 1.00 33.23 H new ATOM 0 HZ3 LYS A 53 -13.044 -0.827 8.305 1.00 33.23 H new ATOM 906 N ILE A 54 -9.804 0.792 1.990 1.00 63.04 N ATOM 907 CA ILE A 54 -9.347 -0.306 1.107 1.00 63.31 C ATOM 908 C ILE A 54 -7.834 -0.509 1.287 1.00 71.41 C ATOM 909 O ILE A 54 -7.087 0.452 1.532 1.00 22.14 O ATOM 910 CB ILE A 54 -9.658 -0.024 -0.434 1.00 53.14 C ATOM 911 CG1 ILE A 54 -11.183 0.207 -0.695 1.00 45.24 C ATOM 912 CG2 ILE A 54 -9.124 -1.153 -1.357 1.00 3.14 C ATOM 913 CD1 ILE A 54 -11.677 1.588 -0.319 1.00 72.42 C ATOM 0 H ILE A 54 -9.558 1.718 1.640 1.00 63.04 H new ATOM 0 HA ILE A 54 -9.896 -1.203 1.394 1.00 63.31 H new ATOM 0 HB ILE A 54 -9.127 0.895 -0.682 1.00 53.14 H new ATOM 0 HG12 ILE A 54 -11.389 0.035 -1.752 1.00 45.24 H new ATOM 0 HG13 ILE A 54 -11.752 -0.535 -0.135 1.00 45.24 H new ATOM 0 HG21 ILE A 54 -9.359 -0.916 -2.395 1.00 3.14 H new ATOM 0 HG22 ILE A 54 -8.044 -1.238 -1.240 1.00 3.14 H new ATOM 0 HG23 ILE A 54 -9.594 -2.098 -1.085 1.00 3.14 H new ATOM 0 HD11 ILE A 54 -12.743 1.663 -0.532 1.00 72.42 H new ATOM 0 HD12 ILE A 54 -11.506 1.759 0.744 1.00 72.42 H new ATOM 0 HD13 ILE A 54 -11.138 2.338 -0.898 1.00 72.42 H new ATOM 925 N LEU A 55 -7.396 -1.769 1.169 1.00 22.02 N ATOM 926 CA LEU A 55 -5.987 -2.133 1.206 1.00 12.52 C ATOM 927 C LEU A 55 -5.522 -2.515 -0.208 1.00 15.52 C ATOM 928 O LEU A 55 -5.978 -3.514 -0.784 1.00 55.03 O ATOM 929 CB LEU A 55 -5.758 -3.272 2.232 1.00 21.44 C ATOM 930 CG LEU A 55 -4.250 -3.656 2.511 1.00 41.30 C ATOM 931 CD1 LEU A 55 -3.976 -3.842 4.024 1.00 44.32 C ATOM 932 CD2 LEU A 55 -3.798 -4.899 1.702 1.00 54.02 C ATOM 0 H LEU A 55 -8.020 -2.566 1.044 1.00 22.02 H new ATOM 0 HA LEU A 55 -5.388 -1.284 1.534 1.00 12.52 H new ATOM 0 HB2 LEU A 55 -6.220 -2.983 3.176 1.00 21.44 H new ATOM 0 HB3 LEU A 55 -6.280 -4.162 1.881 1.00 21.44 H new ATOM 0 HG LEU A 55 -3.649 -2.815 2.166 1.00 41.30 H new ATOM 0 HD11 LEU A 55 -2.929 -4.105 4.174 1.00 44.32 H new ATOM 0 HD12 LEU A 55 -4.196 -2.913 4.550 1.00 44.32 H new ATOM 0 HD13 LEU A 55 -4.610 -4.639 4.413 1.00 44.32 H new ATOM 0 HD21 LEU A 55 -2.755 -5.121 1.929 1.00 54.02 H new ATOM 0 HD22 LEU A 55 -4.418 -5.754 1.971 1.00 54.02 H new ATOM 0 HD23 LEU A 55 -3.902 -4.697 0.636 1.00 54.02 H new ATOM 944 N ILE A 56 -4.653 -1.675 -0.770 1.00 54.34 N ATOM 945 CA ILE A 56 -4.010 -1.897 -2.066 1.00 44.44 C ATOM 946 C ILE A 56 -2.615 -2.507 -1.812 1.00 44.41 C ATOM 947 O ILE A 56 -1.935 -2.121 -0.862 1.00 34.31 O ATOM 948 CB ILE A 56 -3.847 -0.541 -2.875 1.00 3.14 C ATOM 949 CG1 ILE A 56 -5.206 0.227 -3.001 1.00 60.44 C ATOM 950 CG2 ILE A 56 -3.216 -0.776 -4.276 1.00 5.22 C ATOM 951 CD1 ILE A 56 -6.285 -0.476 -3.811 1.00 10.51 C ATOM 0 H ILE A 56 -4.370 -0.801 -0.327 1.00 54.34 H new ATOM 0 HA ILE A 56 -4.632 -2.567 -2.659 1.00 44.44 H new ATOM 0 HB ILE A 56 -3.162 0.084 -2.302 1.00 3.14 H new ATOM 0 HG12 ILE A 56 -5.592 0.413 -1.999 1.00 60.44 H new ATOM 0 HG13 ILE A 56 -5.013 1.200 -3.454 1.00 60.44 H new ATOM 0 HG21 ILE A 56 -3.122 0.177 -4.797 1.00 5.22 H new ATOM 0 HG22 ILE A 56 -2.230 -1.225 -4.160 1.00 5.22 H new ATOM 0 HG23 ILE A 56 -3.853 -1.444 -4.855 1.00 5.22 H new ATOM 0 HD11 ILE A 56 -7.183 0.142 -3.835 1.00 10.51 H new ATOM 0 HD12 ILE A 56 -5.929 -0.638 -4.828 1.00 10.51 H new ATOM 0 HD13 ILE A 56 -6.517 -1.437 -3.351 1.00 10.51 H new ATOM 963 N ILE A 57 -2.227 -3.495 -2.624 1.00 40.41 N ATOM 964 CA ILE A 57 -0.854 -4.035 -2.675 1.00 22.53 C ATOM 965 C ILE A 57 -0.304 -3.749 -4.085 1.00 43.11 C ATOM 966 O ILE A 57 -1.079 -3.602 -5.033 1.00 34.34 O ATOM 967 CB ILE A 57 -0.821 -5.590 -2.360 1.00 34.51 C ATOM 968 CG1 ILE A 57 -1.401 -5.859 -0.935 1.00 10.21 C ATOM 969 CG2 ILE A 57 0.608 -6.196 -2.506 1.00 3.43 C ATOM 970 CD1 ILE A 57 -1.438 -7.319 -0.521 1.00 23.44 C ATOM 0 H ILE A 57 -2.863 -3.953 -3.276 1.00 40.41 H new ATOM 0 HA ILE A 57 -0.238 -3.557 -1.914 1.00 22.53 H new ATOM 0 HB ILE A 57 -1.446 -6.090 -3.100 1.00 34.51 H new ATOM 0 HG12 ILE A 57 -0.807 -5.306 -0.207 1.00 10.21 H new ATOM 0 HG13 ILE A 57 -2.414 -5.459 -0.890 1.00 10.21 H new ATOM 0 HG21 ILE A 57 0.576 -7.262 -2.280 1.00 3.43 H new ATOM 0 HG22 ILE A 57 0.962 -6.052 -3.527 1.00 3.43 H new ATOM 0 HG23 ILE A 57 1.287 -5.698 -1.813 1.00 3.43 H new ATOM 0 HD11 ILE A 57 -1.856 -7.402 0.482 1.00 23.44 H new ATOM 0 HD12 ILE A 57 -2.058 -7.880 -1.220 1.00 23.44 H new ATOM 0 HD13 ILE A 57 -0.426 -7.725 -0.527 1.00 23.44 H new ATOM 982 N SER A 58 1.017 -3.624 -4.202 1.00 54.22 N ATOM 983 CA SER A 58 1.710 -3.442 -5.473 1.00 24.15 C ATOM 984 C SER A 58 3.071 -4.139 -5.395 1.00 51.11 C ATOM 985 O SER A 58 3.670 -4.239 -4.316 1.00 54.40 O ATOM 986 CB SER A 58 1.881 -1.943 -5.795 1.00 30.44 C ATOM 987 OG SER A 58 2.496 -1.753 -7.059 1.00 51.03 O ATOM 0 H SER A 58 1.646 -3.647 -3.400 1.00 54.22 H new ATOM 0 HA SER A 58 1.119 -3.883 -6.276 1.00 24.15 H new ATOM 0 HB2 SER A 58 0.907 -1.454 -5.785 1.00 30.44 H new ATOM 0 HB3 SER A 58 2.484 -1.469 -5.020 1.00 30.44 H new ATOM 0 HG SER A 58 3.357 -1.300 -6.939 1.00 51.03 H new ATOM 993 N ASN A 59 3.538 -4.619 -6.546 1.00 63.44 N ATOM 994 CA ASN A 59 4.812 -5.354 -6.681 1.00 72.54 C ATOM 995 C ASN A 59 5.958 -4.390 -7.060 1.00 30.23 C ATOM 996 O ASN A 59 7.130 -4.784 -7.066 1.00 34.45 O ATOM 997 CB ASN A 59 4.662 -6.477 -7.752 1.00 10.03 C ATOM 998 CG ASN A 59 3.596 -7.527 -7.406 1.00 43.32 C ATOM 999 OD1 ASN A 59 2.624 -7.250 -6.700 1.00 4.13 O ATOM 1000 ND2 ASN A 59 3.746 -8.744 -7.925 1.00 13.51 N ATOM 0 H ASN A 59 3.040 -4.511 -7.430 1.00 63.44 H new ATOM 0 HA ASN A 59 5.059 -5.811 -5.723 1.00 72.54 H new ATOM 0 HB2 ASN A 59 4.412 -6.021 -8.710 1.00 10.03 H new ATOM 0 HB3 ASN A 59 5.623 -6.976 -7.878 1.00 10.03 H new ATOM 0 HD21 ASN A 59 3.050 -9.466 -7.741 1.00 13.51 H new ATOM 0 HD22 ASN A 59 4.557 -8.954 -8.507 1.00 13.51 H new ATOM 1007 N ASP A 60 5.606 -3.115 -7.332 1.00 75.15 N ATOM 1008 CA ASP A 60 6.546 -2.107 -7.861 1.00 63.11 C ATOM 1009 C ASP A 60 6.287 -0.719 -7.235 1.00 2.24 C ATOM 1010 O ASP A 60 5.148 -0.382 -6.888 1.00 54.41 O ATOM 1011 CB ASP A 60 6.428 -2.057 -9.409 1.00 62.50 C ATOM 1012 CG ASP A 60 7.226 -0.914 -10.058 1.00 32.23 C ATOM 1013 OD1 ASP A 60 8.479 -0.939 -10.008 1.00 23.40 O ATOM 1014 OD2 ASP A 60 6.610 0.011 -10.628 1.00 2.21 O ATOM 0 H ASP A 60 4.661 -2.757 -7.190 1.00 75.15 H new ATOM 0 HA ASP A 60 7.563 -2.393 -7.592 1.00 63.11 H new ATOM 0 HB2 ASP A 60 6.771 -3.006 -9.821 1.00 62.50 H new ATOM 0 HB3 ASP A 60 5.377 -1.953 -9.680 1.00 62.50 H new ATOM 1019 N LYS A 61 7.368 0.085 -7.141 1.00 75.34 N ATOM 1020 CA LYS A 61 7.375 1.387 -6.447 1.00 0.34 C ATOM 1021 C LYS A 61 6.904 2.538 -7.352 1.00 73.13 C ATOM 1022 O LYS A 61 6.350 3.525 -6.848 1.00 62.14 O ATOM 1023 CB LYS A 61 8.787 1.684 -5.875 1.00 3.22 C ATOM 1024 CG LYS A 61 9.267 0.621 -4.867 1.00 74.42 C ATOM 1025 CD LYS A 61 10.691 0.884 -4.335 1.00 42.31 C ATOM 1026 CE LYS A 61 11.196 -0.260 -3.439 1.00 61.20 C ATOM 1027 NZ LYS A 61 11.266 -1.564 -4.164 1.00 21.40 N ATOM 0 H LYS A 61 8.270 -0.157 -7.551 1.00 75.34 H new ATOM 0 HA LYS A 61 6.662 1.319 -5.625 1.00 0.34 H new ATOM 0 HB2 LYS A 61 9.500 1.745 -6.697 1.00 3.22 H new ATOM 0 HB3 LYS A 61 8.778 2.659 -5.389 1.00 3.22 H new ATOM 0 HG2 LYS A 61 8.573 0.587 -4.027 1.00 74.42 H new ATOM 0 HG3 LYS A 61 9.240 -0.359 -5.343 1.00 74.42 H new ATOM 0 HD2 LYS A 61 11.373 1.013 -5.175 1.00 42.31 H new ATOM 0 HD3 LYS A 61 10.700 1.817 -3.771 1.00 42.31 H new ATOM 0 HE2 LYS A 61 12.184 -0.008 -3.055 1.00 61.20 H new ATOM 0 HE3 LYS A 61 10.536 -0.361 -2.578 1.00 61.20 H new ATOM 0 HZ1 LYS A 61 11.811 -2.247 -3.599 1.00 21.40 H new ATOM 0 HZ2 LYS A 61 10.304 -1.929 -4.315 1.00 21.40 H new ATOM 0 HZ3 LYS A 61 11.732 -1.426 -5.083 1.00 21.40 H new ATOM 1041 N GLN A 62 7.117 2.419 -8.685 1.00 62.13 N ATOM 1042 CA GLN A 62 6.633 3.436 -9.647 1.00 75.12 C ATOM 1043 C GLN A 62 5.089 3.452 -9.646 1.00 52.20 C ATOM 1044 O GLN A 62 4.480 4.523 -9.713 1.00 4.33 O ATOM 1045 CB GLN A 62 7.178 3.195 -11.088 1.00 11.51 C ATOM 1046 CG GLN A 62 8.713 3.227 -11.213 1.00 72.14 C ATOM 1047 CD GLN A 62 9.204 3.149 -12.663 1.00 73.54 C ATOM 1048 OE1 GLN A 62 9.442 2.065 -13.206 1.00 74.50 O ATOM 1049 NE2 GLN A 62 9.359 4.293 -13.305 1.00 32.02 N ATOM 0 H GLN A 62 7.615 1.639 -9.114 1.00 62.13 H new ATOM 0 HA GLN A 62 7.011 4.407 -9.327 1.00 75.12 H new ATOM 0 HB2 GLN A 62 6.819 2.228 -11.440 1.00 11.51 H new ATOM 0 HB3 GLN A 62 6.758 3.951 -11.751 1.00 11.51 H new ATOM 0 HG2 GLN A 62 9.089 4.143 -10.758 1.00 72.14 H new ATOM 0 HG3 GLN A 62 9.134 2.395 -10.649 1.00 72.14 H new ATOM 0 HE21 GLN A 62 9.155 5.174 -12.833 1.00 32.02 H new ATOM 0 HE22 GLN A 62 9.682 4.295 -14.272 1.00 32.02 H new ATOM 1058 N LEU A 63 4.481 2.249 -9.487 1.00 42.34 N ATOM 1059 CA LEU A 63 3.014 2.081 -9.416 1.00 5.35 C ATOM 1060 C LEU A 63 2.463 2.767 -8.141 1.00 25.40 C ATOM 1061 O LEU A 63 1.457 3.498 -8.204 1.00 42.31 O ATOM 1062 CB LEU A 63 2.620 0.573 -9.415 1.00 24.40 C ATOM 1063 CG LEU A 63 3.142 -0.295 -10.604 1.00 21.30 C ATOM 1064 CD1 LEU A 63 2.711 -1.771 -10.449 1.00 22.33 C ATOM 1065 CD2 LEU A 63 2.700 0.278 -11.966 1.00 31.44 C ATOM 0 H LEU A 63 4.996 1.372 -9.405 1.00 42.34 H new ATOM 0 HA LEU A 63 2.577 2.549 -10.298 1.00 5.35 H new ATOM 0 HB2 LEU A 63 2.980 0.129 -8.487 1.00 24.40 H new ATOM 0 HB3 LEU A 63 1.532 0.507 -9.399 1.00 24.40 H new ATOM 0 HG LEU A 63 4.231 -0.261 -10.578 1.00 21.30 H new ATOM 0 HD11 LEU A 63 3.089 -2.351 -11.291 1.00 22.33 H new ATOM 0 HD12 LEU A 63 3.117 -2.173 -9.521 1.00 22.33 H new ATOM 0 HD13 LEU A 63 1.623 -1.832 -10.426 1.00 22.33 H new ATOM 0 HD21 LEU A 63 3.083 -0.353 -12.768 1.00 31.44 H new ATOM 0 HD22 LEU A 63 1.611 0.305 -12.013 1.00 31.44 H new ATOM 0 HD23 LEU A 63 3.093 1.288 -12.081 1.00 31.44 H new ATOM 1077 N LEU A 64 3.162 2.513 -6.991 1.00 72.15 N ATOM 1078 CA LEU A 64 2.820 3.097 -5.668 1.00 45.24 C ATOM 1079 C LEU A 64 2.661 4.612 -5.779 1.00 33.41 C ATOM 1080 O LEU A 64 1.588 5.138 -5.535 1.00 11.21 O ATOM 1081 CB LEU A 64 3.928 2.848 -4.601 1.00 33.33 C ATOM 1082 CG LEU A 64 4.228 1.393 -4.172 1.00 24.24 C ATOM 1083 CD1 LEU A 64 5.446 1.387 -3.220 1.00 74.31 C ATOM 1084 CD2 LEU A 64 2.990 0.728 -3.528 1.00 34.14 C ATOM 0 H LEU A 64 3.975 1.898 -6.963 1.00 72.15 H new ATOM 0 HA LEU A 64 1.894 2.611 -5.360 1.00 45.24 H new ATOM 0 HB2 LEU A 64 4.855 3.279 -4.979 1.00 33.33 H new ATOM 0 HB3 LEU A 64 3.658 3.408 -3.706 1.00 33.33 H new ATOM 0 HG LEU A 64 4.470 0.801 -5.054 1.00 24.24 H new ATOM 0 HD11 LEU A 64 5.663 0.364 -2.913 1.00 74.31 H new ATOM 0 HD12 LEU A 64 6.312 1.803 -3.735 1.00 74.31 H new ATOM 0 HD13 LEU A 64 5.223 1.990 -2.340 1.00 74.31 H new ATOM 0 HD21 LEU A 64 3.235 -0.294 -3.238 1.00 34.14 H new ATOM 0 HD22 LEU A 64 2.691 1.294 -2.646 1.00 34.14 H new ATOM 0 HD23 LEU A 64 2.170 0.714 -4.246 1.00 34.14 H new ATOM 1096 N LYS A 65 3.761 5.261 -6.214 1.00 54.42 N ATOM 1097 CA LYS A 65 3.938 6.718 -6.153 1.00 2.13 C ATOM 1098 C LYS A 65 2.842 7.441 -6.958 1.00 72.11 C ATOM 1099 O LYS A 65 2.294 8.431 -6.479 1.00 31.03 O ATOM 1100 CB LYS A 65 5.357 7.083 -6.655 1.00 3.15 C ATOM 1101 CG LYS A 65 5.750 8.571 -6.483 1.00 4.53 C ATOM 1102 CD LYS A 65 7.223 8.850 -6.879 1.00 31.21 C ATOM 1103 CE LYS A 65 7.554 8.373 -8.304 1.00 41.35 C ATOM 1104 NZ LYS A 65 8.923 8.756 -8.724 1.00 54.33 N ATOM 0 H LYS A 65 4.560 4.776 -6.623 1.00 54.42 H new ATOM 0 HA LYS A 65 3.840 7.051 -5.120 1.00 2.13 H new ATOM 0 HB2 LYS A 65 6.083 6.467 -6.124 1.00 3.15 H new ATOM 0 HB3 LYS A 65 5.430 6.823 -7.711 1.00 3.15 H new ATOM 0 HG2 LYS A 65 5.091 9.189 -7.092 1.00 4.53 H new ATOM 0 HG3 LYS A 65 5.595 8.866 -5.445 1.00 4.53 H new ATOM 0 HD2 LYS A 65 7.419 9.920 -6.803 1.00 31.21 H new ATOM 0 HD3 LYS A 65 7.886 8.353 -6.171 1.00 31.21 H new ATOM 0 HE2 LYS A 65 7.451 7.289 -8.354 1.00 41.35 H new ATOM 0 HE3 LYS A 65 6.831 8.795 -9.003 1.00 41.35 H new ATOM 0 HZ1 LYS A 65 9.099 8.413 -9.690 1.00 54.33 H new ATOM 0 HZ2 LYS A 65 9.016 9.792 -8.702 1.00 54.33 H new ATOM 0 HZ3 LYS A 65 9.616 8.333 -8.075 1.00 54.33 H new ATOM 1118 N GLU A 66 2.521 6.895 -8.158 1.00 11.43 N ATOM 1119 CA GLU A 66 1.392 7.366 -9.005 1.00 42.54 C ATOM 1120 C GLU A 66 0.080 7.372 -8.202 1.00 61.23 C ATOM 1121 O GLU A 66 -0.594 8.407 -8.099 1.00 41.14 O ATOM 1122 CB GLU A 66 1.222 6.454 -10.257 1.00 2.30 C ATOM 1123 CG GLU A 66 2.420 6.456 -11.217 1.00 34.24 C ATOM 1124 CD GLU A 66 2.254 5.454 -12.373 1.00 1.50 C ATOM 1125 OE1 GLU A 66 2.566 4.260 -12.183 1.00 45.32 O ATOM 1126 OE2 GLU A 66 1.824 5.861 -13.477 1.00 4.30 O ATOM 0 H GLU A 66 3.037 6.116 -8.567 1.00 11.43 H new ATOM 0 HA GLU A 66 1.622 8.381 -9.330 1.00 42.54 H new ATOM 0 HB2 GLU A 66 1.042 5.432 -9.924 1.00 2.30 H new ATOM 0 HB3 GLU A 66 0.334 6.772 -10.804 1.00 2.30 H new ATOM 0 HG2 GLU A 66 2.552 7.458 -11.626 1.00 34.24 H new ATOM 0 HG3 GLU A 66 3.327 6.217 -10.661 1.00 34.24 H new ATOM 1133 N MET A 67 -0.237 6.203 -7.610 1.00 14.31 N ATOM 1134 CA MET A 67 -1.487 5.990 -6.861 1.00 55.44 C ATOM 1135 C MET A 67 -1.568 6.906 -5.618 1.00 32.30 C ATOM 1136 O MET A 67 -2.603 7.524 -5.397 1.00 2.13 O ATOM 1137 CB MET A 67 -1.656 4.489 -6.487 1.00 41.34 C ATOM 1138 CG MET A 67 -1.875 3.567 -7.696 1.00 4.44 C ATOM 1139 SD MET A 67 -2.223 1.842 -7.259 1.00 3.35 S ATOM 1140 CE MET A 67 -0.627 1.241 -6.708 1.00 74.23 C ATOM 0 H MET A 67 0.367 5.382 -7.639 1.00 14.31 H new ATOM 0 HA MET A 67 -2.319 6.265 -7.509 1.00 55.44 H new ATOM 0 HB2 MET A 67 -0.770 4.158 -5.946 1.00 41.34 H new ATOM 0 HB3 MET A 67 -2.502 4.387 -5.807 1.00 41.34 H new ATOM 0 HG2 MET A 67 -2.703 3.954 -8.289 1.00 4.44 H new ATOM 0 HG3 MET A 67 -0.988 3.598 -8.329 1.00 4.44 H new ATOM 0 HE1 MET A 67 -0.234 0.532 -7.437 1.00 74.23 H new ATOM 0 HE2 MET A 67 0.063 2.079 -6.608 1.00 74.23 H new ATOM 0 HE3 MET A 67 -0.738 0.746 -5.743 1.00 74.23 H new ATOM 1150 N LEU A 68 -0.444 7.034 -4.866 1.00 62.22 N ATOM 1151 CA LEU A 68 -0.342 7.887 -3.648 1.00 3.14 C ATOM 1152 C LEU A 68 -0.754 9.342 -3.955 1.00 62.34 C ATOM 1153 O LEU A 68 -1.466 9.984 -3.168 1.00 11.11 O ATOM 1154 CB LEU A 68 1.119 7.873 -3.107 1.00 4.11 C ATOM 1155 CG LEU A 68 1.683 6.495 -2.645 1.00 4.32 C ATOM 1156 CD1 LEU A 68 3.196 6.573 -2.395 1.00 2.01 C ATOM 1157 CD2 LEU A 68 0.949 5.965 -1.400 1.00 25.20 C ATOM 0 H LEU A 68 0.424 6.546 -5.088 1.00 62.22 H new ATOM 0 HA LEU A 68 -1.019 7.481 -2.896 1.00 3.14 H new ATOM 0 HB2 LEU A 68 1.774 8.264 -3.886 1.00 4.11 H new ATOM 0 HB3 LEU A 68 1.177 8.563 -2.265 1.00 4.11 H new ATOM 0 HG LEU A 68 1.507 5.787 -3.455 1.00 4.32 H new ATOM 0 HD11 LEU A 68 3.562 5.598 -2.074 1.00 2.01 H new ATOM 0 HD12 LEU A 68 3.702 6.866 -3.315 1.00 2.01 H new ATOM 0 HD13 LEU A 68 3.399 7.311 -1.619 1.00 2.01 H new ATOM 0 HD21 LEU A 68 1.372 5.003 -1.110 1.00 25.20 H new ATOM 0 HD22 LEU A 68 1.065 6.674 -0.580 1.00 25.20 H new ATOM 0 HD23 LEU A 68 -0.110 5.842 -1.627 1.00 25.20 H new ATOM 1169 N GLU A 69 -0.285 9.827 -5.121 1.00 41.43 N ATOM 1170 CA GLU A 69 -0.570 11.181 -5.619 1.00 22.12 C ATOM 1171 C GLU A 69 -2.059 11.331 -5.964 1.00 41.13 C ATOM 1172 O GLU A 69 -2.683 12.321 -5.571 1.00 63.31 O ATOM 1173 CB GLU A 69 0.328 11.500 -6.841 1.00 11.51 C ATOM 1174 CG GLU A 69 1.828 11.526 -6.498 1.00 24.33 C ATOM 1175 CD GLU A 69 2.729 11.756 -7.715 1.00 5.23 C ATOM 1176 OE1 GLU A 69 2.697 12.874 -8.272 1.00 72.24 O ATOM 1177 OE2 GLU A 69 3.478 10.839 -8.122 1.00 33.25 O ATOM 0 H GLU A 69 0.308 9.282 -5.747 1.00 41.43 H new ATOM 0 HA GLU A 69 -0.341 11.900 -4.833 1.00 22.12 H new ATOM 0 HB2 GLU A 69 0.152 10.756 -7.618 1.00 11.51 H new ATOM 0 HB3 GLU A 69 0.039 12.466 -7.254 1.00 11.51 H new ATOM 0 HG2 GLU A 69 2.012 12.313 -5.766 1.00 24.33 H new ATOM 0 HG3 GLU A 69 2.101 10.582 -6.027 1.00 24.33 H new ATOM 1184 N LEU A 70 -2.619 10.312 -6.656 1.00 25.34 N ATOM 1185 CA LEU A 70 -4.044 10.282 -7.068 1.00 31.44 C ATOM 1186 C LEU A 70 -4.983 10.378 -5.842 1.00 73.35 C ATOM 1187 O LEU A 70 -5.924 11.179 -5.834 1.00 70.04 O ATOM 1188 CB LEU A 70 -4.342 8.993 -7.895 1.00 13.41 C ATOM 1189 CG LEU A 70 -3.622 8.893 -9.280 1.00 13.22 C ATOM 1190 CD1 LEU A 70 -3.870 7.517 -9.944 1.00 60.41 C ATOM 1191 CD2 LEU A 70 -4.045 10.058 -10.206 1.00 52.40 C ATOM 0 H LEU A 70 -2.096 9.486 -6.945 1.00 25.34 H new ATOM 0 HA LEU A 70 -4.234 11.151 -7.699 1.00 31.44 H new ATOM 0 HB2 LEU A 70 -4.060 8.127 -7.297 1.00 13.41 H new ATOM 0 HB3 LEU A 70 -5.418 8.930 -8.060 1.00 13.41 H new ATOM 0 HG LEU A 70 -2.549 8.979 -9.109 1.00 13.22 H new ATOM 0 HD11 LEU A 70 -3.357 7.479 -10.905 1.00 60.41 H new ATOM 0 HD12 LEU A 70 -3.489 6.727 -9.297 1.00 60.41 H new ATOM 0 HD13 LEU A 70 -4.940 7.375 -10.098 1.00 60.41 H new ATOM 0 HD21 LEU A 70 -3.531 9.967 -11.163 1.00 52.40 H new ATOM 0 HD22 LEU A 70 -5.122 10.022 -10.367 1.00 52.40 H new ATOM 0 HD23 LEU A 70 -3.780 11.007 -9.741 1.00 52.40 H new ATOM 1203 N ILE A 71 -4.652 9.596 -4.800 1.00 13.43 N ATOM 1204 CA ILE A 71 -5.421 9.500 -3.533 1.00 62.44 C ATOM 1205 C ILE A 71 -5.525 10.869 -2.819 1.00 31.34 C ATOM 1206 O ILE A 71 -6.546 11.177 -2.181 1.00 31.33 O ATOM 1207 CB ILE A 71 -4.746 8.439 -2.580 1.00 1.23 C ATOM 1208 CG1 ILE A 71 -4.732 7.044 -3.251 1.00 22.34 C ATOM 1209 CG2 ILE A 71 -5.440 8.356 -1.210 1.00 42.24 C ATOM 1210 CD1 ILE A 71 -3.929 5.997 -2.519 1.00 40.13 C ATOM 0 H ILE A 71 -3.826 8.998 -4.809 1.00 13.43 H new ATOM 0 HA ILE A 71 -6.434 9.181 -3.778 1.00 62.44 H new ATOM 0 HB ILE A 71 -3.722 8.772 -2.407 1.00 1.23 H new ATOM 0 HG12 ILE A 71 -5.759 6.692 -3.347 1.00 22.34 H new ATOM 0 HG13 ILE A 71 -4.334 7.146 -4.261 1.00 22.34 H new ATOM 0 HG21 ILE A 71 -4.938 7.612 -0.592 1.00 42.24 H new ATOM 0 HG22 ILE A 71 -5.392 9.328 -0.719 1.00 42.24 H new ATOM 0 HG23 ILE A 71 -6.483 8.069 -1.347 1.00 42.24 H new ATOM 0 HD11 ILE A 71 -3.978 5.054 -3.064 1.00 40.13 H new ATOM 0 HD12 ILE A 71 -2.891 6.320 -2.446 1.00 40.13 H new ATOM 0 HD13 ILE A 71 -4.337 5.859 -1.518 1.00 40.13 H new ATOM 1222 N SER A 72 -4.468 11.680 -2.969 1.00 1.53 N ATOM 1223 CA SER A 72 -4.374 13.007 -2.351 1.00 20.01 C ATOM 1224 C SER A 72 -5.495 13.946 -2.869 1.00 12.31 C ATOM 1225 O SER A 72 -6.182 14.595 -2.069 1.00 51.40 O ATOM 1226 CB SER A 72 -2.974 13.606 -2.609 1.00 32.24 C ATOM 1227 OG SER A 72 -2.794 14.832 -1.919 1.00 64.24 O ATOM 0 H SER A 72 -3.651 11.431 -3.526 1.00 1.53 H new ATOM 0 HA SER A 72 -4.514 12.904 -1.275 1.00 20.01 H new ATOM 0 HB2 SER A 72 -2.210 12.895 -2.294 1.00 32.24 H new ATOM 0 HB3 SER A 72 -2.838 13.767 -3.678 1.00 32.24 H new ATOM 0 HG SER A 72 -1.897 15.182 -2.103 1.00 64.24 H new ATOM 1233 N LYS A 73 -5.703 13.986 -4.210 1.00 4.33 N ATOM 1234 CA LYS A 73 -6.765 14.830 -4.820 1.00 41.35 C ATOM 1235 C LYS A 73 -8.121 14.093 -4.873 1.00 11.34 C ATOM 1236 O LYS A 73 -9.131 14.695 -5.258 1.00 63.41 O ATOM 1237 CB LYS A 73 -6.382 15.394 -6.230 1.00 55.44 C ATOM 1238 CG LYS A 73 -6.107 14.358 -7.357 1.00 54.40 C ATOM 1239 CD LYS A 73 -4.643 13.867 -7.412 1.00 41.41 C ATOM 1240 CE LYS A 73 -3.630 14.992 -7.708 1.00 30.31 C ATOM 1241 NZ LYS A 73 -3.854 15.613 -9.037 1.00 34.31 N ATOM 0 H LYS A 73 -5.156 13.450 -4.884 1.00 4.33 H new ATOM 0 HA LYS A 73 -6.866 15.692 -4.160 1.00 41.35 H new ATOM 0 HB2 LYS A 73 -7.187 16.049 -6.562 1.00 55.44 H new ATOM 0 HB3 LYS A 73 -5.493 16.014 -6.116 1.00 55.44 H new ATOM 0 HG2 LYS A 73 -6.763 13.499 -7.215 1.00 54.40 H new ATOM 0 HG3 LYS A 73 -6.367 14.803 -8.317 1.00 54.40 H new ATOM 0 HD2 LYS A 73 -4.388 13.400 -6.461 1.00 41.41 H new ATOM 0 HD3 LYS A 73 -4.554 13.097 -8.179 1.00 41.41 H new ATOM 0 HE2 LYS A 73 -3.703 15.757 -6.935 1.00 30.31 H new ATOM 0 HE3 LYS A 73 -2.618 14.589 -7.663 1.00 30.31 H new ATOM 0 HZ1 LYS A 73 -3.120 16.328 -9.214 1.00 34.31 H new ATOM 0 HZ2 LYS A 73 -3.809 14.881 -9.774 1.00 34.31 H new ATOM 0 HZ3 LYS A 73 -4.790 16.066 -9.055 1.00 34.31 H new ATOM 1255 N LEU A 74 -8.139 12.785 -4.524 1.00 21.41 N ATOM 1256 CA LEU A 74 -9.403 12.039 -4.303 1.00 13.42 C ATOM 1257 C LEU A 74 -10.000 12.411 -2.923 1.00 64.22 C ATOM 1258 O LEU A 74 -11.222 12.403 -2.743 1.00 73.13 O ATOM 1259 CB LEU A 74 -9.189 10.492 -4.401 1.00 12.12 C ATOM 1260 CG LEU A 74 -8.848 9.908 -5.815 1.00 4.23 C ATOM 1261 CD1 LEU A 74 -8.597 8.377 -5.747 1.00 74.03 C ATOM 1262 CD2 LEU A 74 -9.944 10.258 -6.851 1.00 64.25 C ATOM 0 H LEU A 74 -7.297 12.225 -4.390 1.00 21.41 H new ATOM 0 HA LEU A 74 -10.101 12.324 -5.090 1.00 13.42 H new ATOM 0 HB2 LEU A 74 -8.385 10.218 -3.718 1.00 12.12 H new ATOM 0 HB3 LEU A 74 -10.094 10.002 -4.041 1.00 12.12 H new ATOM 0 HG LEU A 74 -7.923 10.377 -6.150 1.00 4.23 H new ATOM 0 HD11 LEU A 74 -8.363 8.002 -6.743 1.00 74.03 H new ATOM 0 HD12 LEU A 74 -7.761 8.175 -5.078 1.00 74.03 H new ATOM 0 HD13 LEU A 74 -9.491 7.878 -5.372 1.00 74.03 H new ATOM 0 HD21 LEU A 74 -9.676 9.838 -7.820 1.00 64.25 H new ATOM 0 HD22 LEU A 74 -10.898 9.842 -6.526 1.00 64.25 H new ATOM 0 HD23 LEU A 74 -10.031 11.341 -6.937 1.00 64.25 H new ATOM 1274 N GLY A 75 -9.117 12.733 -1.958 1.00 23.03 N ATOM 1275 CA GLY A 75 -9.525 13.200 -0.624 1.00 11.15 C ATOM 1276 C GLY A 75 -9.588 12.071 0.399 1.00 71.11 C ATOM 1277 O GLY A 75 -10.596 11.903 1.104 1.00 24.02 O ATOM 0 H GLY A 75 -8.106 12.676 -2.083 1.00 23.03 H new ATOM 0 HA2 GLY A 75 -8.823 13.959 -0.279 1.00 11.15 H new ATOM 0 HA3 GLY A 75 -10.503 13.677 -0.693 1.00 11.15 H new ATOM 1281 N TYR A 76 -8.494 11.293 0.474 1.00 42.33 N ATOM 1282 CA TYR A 76 -8.346 10.167 1.425 1.00 34.51 C ATOM 1283 C TYR A 76 -7.023 10.314 2.196 1.00 51.52 C ATOM 1284 O TYR A 76 -6.027 10.771 1.622 1.00 54.44 O ATOM 1285 CB TYR A 76 -8.349 8.802 0.682 1.00 74.11 C ATOM 1286 CG TYR A 76 -9.527 8.549 -0.269 1.00 14.23 C ATOM 1287 CD1 TYR A 76 -10.843 8.839 0.105 1.00 43.22 C ATOM 1288 CD2 TYR A 76 -9.322 8.006 -1.545 1.00 3.14 C ATOM 1289 CE1 TYR A 76 -11.892 8.618 -0.760 1.00 64.13 C ATOM 1290 CE2 TYR A 76 -10.377 7.779 -2.403 1.00 20.34 C ATOM 1291 CZ TYR A 76 -11.653 8.088 -2.007 1.00 61.44 C ATOM 1292 OH TYR A 76 -12.707 7.874 -2.861 1.00 0.40 O ATOM 0 H TYR A 76 -7.680 11.425 -0.126 1.00 42.33 H new ATOM 0 HA TYR A 76 -9.190 10.192 2.114 1.00 34.51 H new ATOM 0 HB2 TYR A 76 -7.424 8.721 0.111 1.00 74.11 H new ATOM 0 HB3 TYR A 76 -8.334 8.007 1.427 1.00 74.11 H new ATOM 0 HD1 TYR A 76 -11.040 9.242 1.087 1.00 43.22 H new ATOM 0 HD2 TYR A 76 -8.319 7.761 -1.862 1.00 3.14 H new ATOM 0 HE1 TYR A 76 -12.901 8.860 -0.460 1.00 64.13 H new ATOM 0 HE2 TYR A 76 -10.199 7.360 -3.382 1.00 20.34 H new ATOM 0 HH TYR A 76 -12.578 7.025 -3.333 1.00 0.40 H new ATOM 1302 N LYS A 77 -7.019 9.925 3.487 1.00 71.41 N ATOM 1303 CA LYS A 77 -5.798 9.901 4.317 1.00 13.55 C ATOM 1304 C LYS A 77 -4.895 8.743 3.850 1.00 61.44 C ATOM 1305 O LYS A 77 -5.278 7.572 3.923 1.00 63.12 O ATOM 1306 CB LYS A 77 -6.175 9.784 5.818 1.00 44.52 C ATOM 1307 CG LYS A 77 -4.982 9.616 6.789 1.00 63.53 C ATOM 1308 CD LYS A 77 -5.375 9.851 8.268 1.00 60.13 C ATOM 1309 CE LYS A 77 -4.245 9.486 9.249 1.00 25.34 C ATOM 1310 NZ LYS A 77 -4.049 8.014 9.356 1.00 24.41 N ATOM 0 H LYS A 77 -7.858 9.620 3.981 1.00 71.41 H new ATOM 0 HA LYS A 77 -5.243 10.832 4.200 1.00 13.55 H new ATOM 0 HB2 LYS A 77 -6.734 10.675 6.106 1.00 44.52 H new ATOM 0 HB3 LYS A 77 -6.845 8.934 5.942 1.00 44.52 H new ATOM 0 HG2 LYS A 77 -4.571 8.612 6.682 1.00 63.53 H new ATOM 0 HG3 LYS A 77 -4.193 10.315 6.512 1.00 63.53 H new ATOM 0 HD2 LYS A 77 -5.646 10.898 8.406 1.00 60.13 H new ATOM 0 HD3 LYS A 77 -6.260 9.259 8.503 1.00 60.13 H new ATOM 0 HE2 LYS A 77 -3.316 9.952 8.920 1.00 25.34 H new ATOM 0 HE3 LYS A 77 -4.475 9.893 10.234 1.00 25.34 H new ATOM 0 HZ1 LYS A 77 -3.257 7.815 10.000 1.00 24.41 H new ATOM 0 HZ2 LYS A 77 -4.916 7.574 9.727 1.00 24.41 H new ATOM 0 HZ3 LYS A 77 -3.837 7.623 8.416 1.00 24.41 H new ATOM 1324 N VAL A 78 -3.695 9.101 3.360 1.00 3.51 N ATOM 1325 CA VAL A 78 -2.798 8.179 2.645 1.00 44.22 C ATOM 1326 C VAL A 78 -1.842 7.481 3.624 1.00 12.04 C ATOM 1327 O VAL A 78 -1.191 8.143 4.446 1.00 60.02 O ATOM 1328 CB VAL A 78 -1.942 8.933 1.554 1.00 41.14 C ATOM 1329 CG1 VAL A 78 -1.151 7.938 0.674 1.00 2.30 C ATOM 1330 CG2 VAL A 78 -2.815 9.866 0.686 1.00 23.41 C ATOM 0 H VAL A 78 -3.319 10.045 3.450 1.00 3.51 H new ATOM 0 HA VAL A 78 -3.430 7.439 2.153 1.00 44.22 H new ATOM 0 HB VAL A 78 -1.223 9.557 2.085 1.00 41.14 H new ATOM 0 HG11 VAL A 78 -0.572 8.489 -0.067 1.00 2.30 H new ATOM 0 HG12 VAL A 78 -0.477 7.354 1.301 1.00 2.30 H new ATOM 0 HG13 VAL A 78 -1.846 7.268 0.167 1.00 2.30 H new ATOM 0 HG21 VAL A 78 -2.189 10.367 -0.053 1.00 23.41 H new ATOM 0 HG22 VAL A 78 -3.579 9.279 0.176 1.00 23.41 H new ATOM 0 HG23 VAL A 78 -3.294 10.611 1.321 1.00 23.41 H new ATOM 1340 N PHE A 79 -1.771 6.150 3.522 1.00 41.24 N ATOM 1341 CA PHE A 79 -0.810 5.319 4.250 1.00 24.53 C ATOM 1342 C PHE A 79 -0.008 4.503 3.213 1.00 54.24 C ATOM 1343 O PHE A 79 -0.520 4.160 2.137 1.00 3.52 O ATOM 1344 CB PHE A 79 -1.552 4.385 5.256 1.00 32.24 C ATOM 1345 CG PHE A 79 -0.683 3.809 6.392 1.00 73.20 C ATOM 1346 CD1 PHE A 79 0.217 2.762 6.171 1.00 43.13 C ATOM 1347 CD2 PHE A 79 -0.791 4.304 7.695 1.00 63.44 C ATOM 1348 CE1 PHE A 79 0.979 2.241 7.199 1.00 72.31 C ATOM 1349 CE2 PHE A 79 -0.024 3.780 8.723 1.00 3.20 C ATOM 1350 CZ PHE A 79 0.856 2.748 8.475 1.00 34.10 C ATOM 0 H PHE A 79 -2.392 5.611 2.919 1.00 41.24 H new ATOM 0 HA PHE A 79 -0.130 5.941 4.832 1.00 24.53 H new ATOM 0 HB2 PHE A 79 -2.378 4.941 5.700 1.00 32.24 H new ATOM 0 HB3 PHE A 79 -1.989 3.555 4.700 1.00 32.24 H new ATOM 0 HD1 PHE A 79 0.319 2.352 5.177 1.00 43.13 H new ATOM 0 HD2 PHE A 79 -1.483 5.107 7.903 1.00 63.44 H new ATOM 0 HE1 PHE A 79 1.672 1.436 7.003 1.00 72.31 H new ATOM 0 HE2 PHE A 79 -0.116 4.181 9.722 1.00 3.20 H new ATOM 0 HZ PHE A 79 1.448 2.337 9.279 1.00 34.10 H new ATOM 1360 N LEU A 80 1.241 4.206 3.547 1.00 21.14 N ATOM 1361 CA LEU A 80 2.146 3.414 2.717 1.00 40.42 C ATOM 1362 C LEU A 80 2.972 2.515 3.651 1.00 14.01 C ATOM 1363 O LEU A 80 3.311 2.905 4.772 1.00 23.54 O ATOM 1364 CB LEU A 80 3.055 4.350 1.859 1.00 43.54 C ATOM 1365 CG LEU A 80 4.039 3.658 0.851 1.00 12.53 C ATOM 1366 CD1 LEU A 80 3.291 2.845 -0.221 1.00 45.23 C ATOM 1367 CD2 LEU A 80 4.981 4.690 0.198 1.00 1.01 C ATOM 0 H LEU A 80 1.665 4.515 4.422 1.00 21.14 H new ATOM 0 HA LEU A 80 1.587 2.792 2.017 1.00 40.42 H new ATOM 0 HB2 LEU A 80 2.410 5.024 1.295 1.00 43.54 H new ATOM 0 HB3 LEU A 80 3.644 4.966 2.538 1.00 43.54 H new ATOM 0 HG LEU A 80 4.644 2.957 1.426 1.00 12.53 H new ATOM 0 HD11 LEU A 80 4.012 2.384 -0.897 1.00 45.23 H new ATOM 0 HD12 LEU A 80 2.696 2.069 0.260 1.00 45.23 H new ATOM 0 HD13 LEU A 80 2.635 3.506 -0.787 1.00 45.23 H new ATOM 0 HD21 LEU A 80 5.652 4.183 -0.496 1.00 1.01 H new ATOM 0 HD22 LEU A 80 4.391 5.430 -0.343 1.00 1.01 H new ATOM 0 HD23 LEU A 80 5.567 5.188 0.971 1.00 1.01 H new ATOM 1379 N LEU A 81 3.240 1.306 3.189 1.00 11.41 N ATOM 1380 CA LEU A 81 4.028 0.288 3.887 1.00 25.22 C ATOM 1381 C LEU A 81 4.807 -0.449 2.808 1.00 23.32 C ATOM 1382 O LEU A 81 4.222 -0.862 1.812 1.00 14.32 O ATOM 1383 CB LEU A 81 3.098 -0.686 4.675 1.00 5.50 C ATOM 1384 CG LEU A 81 3.772 -1.966 5.284 1.00 3.22 C ATOM 1385 CD1 LEU A 81 4.918 -1.611 6.258 1.00 63.50 C ATOM 1386 CD2 LEU A 81 2.717 -2.876 5.954 1.00 21.23 C ATOM 0 H LEU A 81 2.904 0.987 2.280 1.00 11.41 H new ATOM 0 HA LEU A 81 4.699 0.734 4.621 1.00 25.22 H new ATOM 0 HB2 LEU A 81 2.631 -0.128 5.487 1.00 5.50 H new ATOM 0 HB3 LEU A 81 2.298 -1.007 4.008 1.00 5.50 H new ATOM 0 HG LEU A 81 4.223 -2.522 4.462 1.00 3.22 H new ATOM 0 HD11 LEU A 81 5.355 -2.527 6.655 1.00 63.50 H new ATOM 0 HD12 LEU A 81 5.683 -1.044 5.728 1.00 63.50 H new ATOM 0 HD13 LEU A 81 4.525 -1.011 7.079 1.00 63.50 H new ATOM 0 HD21 LEU A 81 3.207 -3.757 6.369 1.00 21.23 H new ATOM 0 HD22 LEU A 81 2.219 -2.328 6.753 1.00 21.23 H new ATOM 0 HD23 LEU A 81 1.981 -3.186 5.213 1.00 21.23 H new ATOM 1398 N LEU A 82 6.123 -0.580 2.975 1.00 54.44 N ATOM 1399 CA LEU A 82 6.978 -1.176 1.943 1.00 34.34 C ATOM 1400 C LEU A 82 8.138 -1.971 2.553 1.00 44.13 C ATOM 1401 O LEU A 82 8.623 -1.661 3.650 1.00 24.12 O ATOM 1402 CB LEU A 82 7.446 -0.067 0.932 1.00 43.12 C ATOM 1403 CG LEU A 82 7.846 1.342 1.523 1.00 54.43 C ATOM 1404 CD1 LEU A 82 9.198 1.333 2.249 1.00 1.10 C ATOM 1405 CD2 LEU A 82 7.828 2.430 0.438 1.00 64.52 C ATOM 0 H LEU A 82 6.622 -0.282 3.813 1.00 54.44 H new ATOM 0 HA LEU A 82 6.398 -1.906 1.379 1.00 34.34 H new ATOM 0 HB2 LEU A 82 8.303 -0.455 0.381 1.00 43.12 H new ATOM 0 HB3 LEU A 82 6.645 0.087 0.209 1.00 43.12 H new ATOM 0 HG LEU A 82 7.088 1.576 2.270 1.00 54.43 H new ATOM 0 HD11 LEU A 82 9.413 2.331 2.631 1.00 1.10 H new ATOM 0 HD12 LEU A 82 9.161 0.627 3.079 1.00 1.10 H new ATOM 0 HD13 LEU A 82 9.982 1.034 1.554 1.00 1.10 H new ATOM 0 HD21 LEU A 82 8.108 3.387 0.878 1.00 64.52 H new ATOM 0 HD22 LEU A 82 8.537 2.171 -0.349 1.00 64.52 H new ATOM 0 HD23 LEU A 82 6.827 2.505 0.014 1.00 64.52 H new ATOM 1417 N GLN A 83 8.538 -3.015 1.816 1.00 22.54 N ATOM 1418 CA GLN A 83 9.680 -3.864 2.133 1.00 63.30 C ATOM 1419 C GLN A 83 10.267 -4.415 0.832 1.00 51.41 C ATOM 1420 O GLN A 83 9.574 -4.508 -0.198 1.00 54.42 O ATOM 1421 CB GLN A 83 9.312 -5.006 3.134 1.00 74.53 C ATOM 1422 CG GLN A 83 8.481 -6.199 2.594 1.00 32.41 C ATOM 1423 CD GLN A 83 9.326 -7.365 2.023 1.00 10.15 C ATOM 1424 OE1 GLN A 83 9.588 -7.454 0.822 1.00 53.44 O ATOM 1425 NE2 GLN A 83 9.758 -8.267 2.892 1.00 63.01 N ATOM 0 H GLN A 83 8.059 -3.295 0.960 1.00 22.54 H new ATOM 0 HA GLN A 83 10.433 -3.261 2.640 1.00 63.30 H new ATOM 0 HB2 GLN A 83 10.240 -5.403 3.546 1.00 74.53 H new ATOM 0 HB3 GLN A 83 8.761 -4.561 3.962 1.00 74.53 H new ATOM 0 HG2 GLN A 83 7.854 -6.582 3.399 1.00 32.41 H new ATOM 0 HG3 GLN A 83 7.812 -5.836 1.814 1.00 32.41 H new ATOM 0 HE21 GLN A 83 9.529 -8.173 3.881 1.00 63.01 H new ATOM 0 HE22 GLN A 83 10.320 -9.056 2.572 1.00 63.01 H new ATOM 1434 N ASP A 84 11.540 -4.763 0.899 1.00 62.45 N ATOM 1435 CA ASP A 84 12.307 -5.299 -0.238 1.00 32.41 C ATOM 1436 C ASP A 84 13.497 -6.080 0.324 1.00 43.42 C ATOM 1437 O ASP A 84 13.723 -6.082 1.548 1.00 72.25 O ATOM 1438 CB ASP A 84 12.788 -4.126 -1.163 1.00 42.22 C ATOM 1439 CG ASP A 84 13.113 -4.547 -2.613 1.00 64.01 C ATOM 1440 OD1 ASP A 84 14.215 -5.086 -2.867 1.00 54.54 O ATOM 1441 OD2 ASP A 84 12.260 -4.329 -3.509 1.00 24.52 O ATOM 0 H ASP A 84 12.089 -4.684 1.755 1.00 62.45 H new ATOM 0 HA ASP A 84 11.687 -5.960 -0.843 1.00 32.41 H new ATOM 0 HB2 ASP A 84 12.015 -3.358 -1.186 1.00 42.22 H new ATOM 0 HB3 ASP A 84 13.676 -3.673 -0.722 1.00 42.22 H new ATOM 1446 N GLN A 85 14.234 -6.764 -0.560 1.00 12.51 N ATOM 1447 CA GLN A 85 15.547 -7.342 -0.224 1.00 32.11 C ATOM 1448 C GLN A 85 16.504 -6.213 0.204 1.00 74.04 C ATOM 1449 O GLN A 85 17.086 -6.257 1.293 1.00 43.54 O ATOM 1450 CB GLN A 85 16.137 -8.115 -1.438 1.00 64.11 C ATOM 1451 CG GLN A 85 15.276 -9.296 -1.931 1.00 74.43 C ATOM 1452 CD GLN A 85 15.855 -10.007 -3.164 1.00 31.45 C ATOM 1453 OE1 GLN A 85 17.076 -10.084 -3.350 1.00 41.33 O ATOM 1454 NE2 GLN A 85 14.985 -10.532 -4.017 1.00 64.44 N ATOM 0 H GLN A 85 13.942 -6.933 -1.523 1.00 12.51 H new ATOM 0 HA GLN A 85 15.424 -8.048 0.597 1.00 32.11 H new ATOM 0 HB2 GLN A 85 16.277 -7.416 -2.263 1.00 64.11 H new ATOM 0 HB3 GLN A 85 17.124 -8.491 -1.167 1.00 64.11 H new ATOM 0 HG2 GLN A 85 15.169 -10.019 -1.122 1.00 74.43 H new ATOM 0 HG3 GLN A 85 14.276 -8.932 -2.168 1.00 74.43 H new ATOM 0 HE21 GLN A 85 13.984 -10.453 -3.838 1.00 64.44 H new ATOM 0 HE22 GLN A 85 15.317 -11.015 -4.852 1.00 64.44 H new ATOM 1463 N ASP A 86 16.613 -5.182 -0.660 1.00 43.11 N ATOM 1464 CA ASP A 86 17.487 -4.016 -0.426 1.00 30.41 C ATOM 1465 C ASP A 86 16.684 -2.903 0.268 1.00 53.24 C ATOM 1466 O ASP A 86 15.691 -2.410 -0.280 1.00 54.44 O ATOM 1467 CB ASP A 86 18.108 -3.501 -1.756 1.00 31.50 C ATOM 1468 CG ASP A 86 19.179 -2.418 -1.525 1.00 52.45 C ATOM 1469 OD1 ASP A 86 20.330 -2.775 -1.203 1.00 42.23 O ATOM 1470 OD2 ASP A 86 18.878 -1.216 -1.650 1.00 13.42 O ATOM 0 H ASP A 86 16.097 -5.136 -1.539 1.00 43.11 H new ATOM 0 HA ASP A 86 18.310 -4.321 0.221 1.00 30.41 H new ATOM 0 HB2 ASP A 86 18.552 -4.338 -2.294 1.00 31.50 H new ATOM 0 HB3 ASP A 86 17.318 -3.098 -2.390 1.00 31.50 H new ATOM 1475 N GLU A 87 17.134 -2.536 1.478 1.00 22.21 N ATOM 1476 CA GLU A 87 16.473 -1.547 2.346 1.00 70.32 C ATOM 1477 C GLU A 87 16.699 -0.106 1.842 1.00 33.43 C ATOM 1478 O GLU A 87 15.864 0.780 2.066 1.00 34.14 O ATOM 1479 CB GLU A 87 16.994 -1.710 3.803 1.00 42.33 C ATOM 1480 CG GLU A 87 16.319 -0.774 4.828 1.00 32.12 C ATOM 1481 CD GLU A 87 16.843 -0.902 6.268 1.00 23.25 C ATOM 1482 OE1 GLU A 87 18.069 -1.022 6.460 1.00 71.43 O ATOM 1483 OE2 GLU A 87 16.032 -0.848 7.213 1.00 1.41 O ATOM 0 H GLU A 87 17.983 -2.925 1.889 1.00 22.21 H new ATOM 0 HA GLU A 87 15.399 -1.729 2.322 1.00 70.32 H new ATOM 0 HB2 GLU A 87 16.843 -2.743 4.117 1.00 42.33 H new ATOM 0 HB3 GLU A 87 18.069 -1.528 3.815 1.00 42.33 H new ATOM 0 HG2 GLU A 87 16.452 0.257 4.499 1.00 32.12 H new ATOM 0 HG3 GLU A 87 15.247 -0.973 4.828 1.00 32.12 H new ATOM 1490 N ASN A 88 17.823 0.114 1.141 1.00 53.32 N ATOM 1491 CA ASN A 88 18.204 1.455 0.657 1.00 72.53 C ATOM 1492 C ASN A 88 17.282 1.914 -0.489 1.00 44.02 C ATOM 1493 O ASN A 88 16.962 3.096 -0.582 1.00 11.21 O ATOM 1494 CB ASN A 88 19.689 1.501 0.247 1.00 73.34 C ATOM 1495 CG ASN A 88 20.623 1.108 1.392 1.00 1.22 C ATOM 1496 OD1 ASN A 88 21.021 -0.057 1.522 1.00 42.44 O ATOM 1497 ND2 ASN A 88 20.929 2.055 2.271 1.00 3.00 N ATOM 0 H ASN A 88 18.487 -0.620 0.895 1.00 53.32 H new ATOM 0 HA ASN A 88 18.075 2.157 1.481 1.00 72.53 H new ATOM 0 HB2 ASN A 88 19.851 0.830 -0.597 1.00 73.34 H new ATOM 0 HB3 ASN A 88 19.938 2.506 -0.093 1.00 73.34 H new ATOM 0 HD21 ASN A 88 21.507 1.831 3.081 1.00 3.00 H new ATOM 0 HD22 ASN A 88 20.586 3.006 2.136 1.00 3.00 H new ATOM 1504 N GLU A 89 16.830 0.961 -1.332 1.00 74.23 N ATOM 1505 CA GLU A 89 15.808 1.220 -2.379 1.00 53.41 C ATOM 1506 C GLU A 89 14.503 1.764 -1.762 1.00 15.34 C ATOM 1507 O GLU A 89 13.825 2.611 -2.352 1.00 33.40 O ATOM 1508 CB GLU A 89 15.514 -0.083 -3.174 1.00 24.43 C ATOM 1509 CG GLU A 89 16.642 -0.514 -4.129 1.00 43.13 C ATOM 1510 CD GLU A 89 16.822 0.431 -5.337 1.00 44.44 C ATOM 1511 OE1 GLU A 89 16.158 0.214 -6.377 1.00 73.35 O ATOM 1512 OE2 GLU A 89 17.615 1.398 -5.255 1.00 70.51 O ATOM 0 H GLU A 89 17.158 -0.005 -1.310 1.00 74.23 H new ATOM 0 HA GLU A 89 16.205 1.975 -3.058 1.00 53.41 H new ATOM 0 HB2 GLU A 89 15.325 -0.891 -2.467 1.00 24.43 H new ATOM 0 HB3 GLU A 89 14.600 0.056 -3.751 1.00 24.43 H new ATOM 0 HG2 GLU A 89 17.579 -0.563 -3.573 1.00 43.13 H new ATOM 0 HG3 GLU A 89 16.434 -1.520 -4.493 1.00 43.13 H new ATOM 1519 N LEU A 90 14.192 1.254 -0.564 1.00 71.13 N ATOM 1520 CA LEU A 90 12.976 1.587 0.185 1.00 44.42 C ATOM 1521 C LEU A 90 13.034 3.011 0.765 1.00 42.55 C ATOM 1522 O LEU A 90 12.075 3.767 0.634 1.00 75.52 O ATOM 1523 CB LEU A 90 12.798 0.575 1.334 1.00 2.31 C ATOM 1524 CG LEU A 90 12.605 -0.900 0.914 1.00 51.43 C ATOM 1525 CD1 LEU A 90 12.689 -1.829 2.144 1.00 21.24 C ATOM 1526 CD2 LEU A 90 11.276 -1.061 0.146 1.00 75.51 C ATOM 0 H LEU A 90 14.791 0.585 -0.079 1.00 71.13 H new ATOM 0 HA LEU A 90 12.131 1.540 -0.502 1.00 44.42 H new ATOM 0 HB2 LEU A 90 13.671 0.636 1.984 1.00 2.31 H new ATOM 0 HB3 LEU A 90 11.936 0.878 1.929 1.00 2.31 H new ATOM 0 HG LEU A 90 13.410 -1.193 0.240 1.00 51.43 H new ATOM 0 HD11 LEU A 90 12.551 -2.863 1.829 1.00 21.24 H new ATOM 0 HD12 LEU A 90 13.666 -1.721 2.616 1.00 21.24 H new ATOM 0 HD13 LEU A 90 11.910 -1.560 2.857 1.00 21.24 H new ATOM 0 HD21 LEU A 90 11.148 -2.103 -0.146 1.00 75.51 H new ATOM 0 HD22 LEU A 90 10.447 -0.759 0.786 1.00 75.51 H new ATOM 0 HD23 LEU A 90 11.293 -0.434 -0.745 1.00 75.51 H new ATOM 1538 N GLU A 91 14.166 3.352 1.416 1.00 1.11 N ATOM 1539 CA GLU A 91 14.314 4.630 2.153 1.00 45.33 C ATOM 1540 C GLU A 91 14.662 5.799 1.220 1.00 0.45 C ATOM 1541 O GLU A 91 14.334 6.951 1.539 1.00 30.21 O ATOM 1542 CB GLU A 91 15.337 4.476 3.316 1.00 45.35 C ATOM 1543 CG GLU A 91 16.727 3.962 2.903 1.00 11.42 C ATOM 1544 CD GLU A 91 17.583 3.457 4.086 1.00 74.21 C ATOM 1545 OE1 GLU A 91 17.116 2.554 4.820 1.00 35.21 O ATOM 1546 OE2 GLU A 91 18.707 3.956 4.299 1.00 24.44 O ATOM 0 H GLU A 91 14.995 2.759 1.447 1.00 1.11 H new ATOM 0 HA GLU A 91 13.348 4.876 2.594 1.00 45.33 H new ATOM 0 HB2 GLU A 91 15.455 5.443 3.805 1.00 45.35 H new ATOM 0 HB3 GLU A 91 14.920 3.794 4.057 1.00 45.35 H new ATOM 0 HG2 GLU A 91 16.605 3.152 2.183 1.00 11.42 H new ATOM 0 HG3 GLU A 91 17.264 4.763 2.394 1.00 11.42 H new ATOM 1553 N GLU A 92 15.286 5.514 0.055 1.00 44.13 N ATOM 1554 CA GLU A 92 15.496 6.543 -0.988 1.00 64.54 C ATOM 1555 C GLU A 92 14.180 6.837 -1.722 1.00 40.34 C ATOM 1556 O GLU A 92 13.978 7.944 -2.215 1.00 34.22 O ATOM 1557 CB GLU A 92 16.606 6.126 -1.992 1.00 72.20 C ATOM 1558 CG GLU A 92 18.011 5.971 -1.365 1.00 72.10 C ATOM 1559 CD GLU A 92 18.505 7.237 -0.635 1.00 3.44 C ATOM 1560 OE1 GLU A 92 18.980 8.177 -1.306 1.00 1.25 O ATOM 1561 OE2 GLU A 92 18.408 7.301 0.605 1.00 70.14 O ATOM 0 H GLU A 92 15.649 4.592 -0.185 1.00 44.13 H new ATOM 0 HA GLU A 92 15.832 7.454 -0.493 1.00 64.54 H new ATOM 0 HB2 GLU A 92 16.323 5.181 -2.456 1.00 72.20 H new ATOM 0 HB3 GLU A 92 16.657 6.869 -2.788 1.00 72.20 H new ATOM 0 HG2 GLU A 92 17.996 5.139 -0.661 1.00 72.10 H new ATOM 0 HG3 GLU A 92 18.723 5.713 -2.149 1.00 72.10 H new ATOM 1568 N PHE A 93 13.308 5.825 -1.819 1.00 14.43 N ATOM 1569 CA PHE A 93 11.920 6.021 -2.267 1.00 43.32 C ATOM 1570 C PHE A 93 11.098 6.755 -1.181 1.00 30.00 C ATOM 1571 O PHE A 93 10.299 7.640 -1.496 1.00 34.42 O ATOM 1572 CB PHE A 93 11.287 4.654 -2.616 1.00 62.22 C ATOM 1573 CG PHE A 93 9.855 4.732 -3.138 1.00 2.11 C ATOM 1574 CD1 PHE A 93 9.571 5.349 -4.354 1.00 61.33 C ATOM 1575 CD2 PHE A 93 8.792 4.205 -2.410 1.00 10.34 C ATOM 1576 CE1 PHE A 93 8.273 5.431 -4.822 1.00 24.34 C ATOM 1577 CE2 PHE A 93 7.498 4.291 -2.876 1.00 71.23 C ATOM 1578 CZ PHE A 93 7.235 4.903 -4.079 1.00 31.52 C ATOM 0 H PHE A 93 13.539 4.858 -1.593 1.00 14.43 H new ATOM 0 HA PHE A 93 11.917 6.643 -3.162 1.00 43.32 H new ATOM 0 HB2 PHE A 93 11.907 4.162 -3.366 1.00 62.22 H new ATOM 0 HB3 PHE A 93 11.302 4.024 -1.727 1.00 62.22 H new ATOM 0 HD1 PHE A 93 10.376 5.769 -4.939 1.00 61.33 H new ATOM 0 HD2 PHE A 93 8.985 3.721 -1.464 1.00 10.34 H new ATOM 0 HE1 PHE A 93 8.070 5.908 -5.769 1.00 24.34 H new ATOM 0 HE2 PHE A 93 6.688 3.876 -2.295 1.00 71.23 H new ATOM 0 HZ PHE A 93 6.220 4.971 -4.442 1.00 31.52 H new ATOM 1588 N LYS A 94 11.335 6.391 0.098 1.00 64.11 N ATOM 1589 CA LYS A 94 10.539 6.879 1.246 1.00 34.54 C ATOM 1590 C LYS A 94 10.712 8.392 1.461 1.00 22.51 C ATOM 1591 O LYS A 94 9.733 9.085 1.705 1.00 11.33 O ATOM 1592 CB LYS A 94 10.898 6.108 2.549 1.00 42.44 C ATOM 1593 CG LYS A 94 10.085 6.555 3.787 1.00 1.13 C ATOM 1594 CD LYS A 94 10.387 5.759 5.074 1.00 34.54 C ATOM 1595 CE LYS A 94 11.822 5.944 5.593 1.00 72.23 C ATOM 1596 NZ LYS A 94 12.098 7.346 6.001 1.00 74.03 N ATOM 0 H LYS A 94 12.083 5.751 0.364 1.00 64.11 H new ATOM 0 HA LYS A 94 9.492 6.691 1.007 1.00 34.54 H new ATOM 0 HB2 LYS A 94 10.736 5.043 2.385 1.00 42.44 H new ATOM 0 HB3 LYS A 94 11.960 6.240 2.757 1.00 42.44 H new ATOM 0 HG2 LYS A 94 10.282 7.611 3.973 1.00 1.13 H new ATOM 0 HG3 LYS A 94 9.023 6.465 3.560 1.00 1.13 H new ATOM 0 HD2 LYS A 94 9.687 6.064 5.852 1.00 34.54 H new ATOM 0 HD3 LYS A 94 10.212 4.700 4.885 1.00 34.54 H new ATOM 0 HE2 LYS A 94 11.987 5.282 6.443 1.00 72.23 H new ATOM 0 HE3 LYS A 94 12.528 5.648 4.817 1.00 72.23 H new ATOM 0 HZ1 LYS A 94 13.072 7.418 6.359 1.00 74.03 H new ATOM 0 HZ2 LYS A 94 11.984 7.975 5.181 1.00 74.03 H new ATOM 0 HZ3 LYS A 94 11.432 7.627 6.749 1.00 74.03 H new ATOM 1610 N ARG A 95 11.966 8.890 1.347 1.00 64.23 N ATOM 1611 CA ARG A 95 12.285 10.334 1.522 1.00 55.15 C ATOM 1612 C ARG A 95 11.484 11.225 0.532 1.00 63.32 C ATOM 1613 O ARG A 95 11.181 12.382 0.824 1.00 2.01 O ATOM 1614 CB ARG A 95 13.822 10.565 1.372 1.00 10.02 C ATOM 1615 CG ARG A 95 14.400 10.154 0.003 1.00 12.31 C ATOM 1616 CD ARG A 95 15.944 10.201 -0.069 1.00 72.11 C ATOM 1617 NE ARG A 95 16.487 11.565 0.017 1.00 50.45 N ATOM 1618 CZ ARG A 95 17.784 11.895 -0.149 1.00 44.12 C ATOM 1619 NH1 ARG A 95 18.706 10.964 -0.427 1.00 54.42 N ATOM 1620 NH2 ARG A 95 18.140 13.173 -0.062 1.00 62.12 N ATOM 0 H ARG A 95 12.779 8.313 1.134 1.00 64.23 H new ATOM 0 HA ARG A 95 11.984 10.628 2.528 1.00 55.15 H new ATOM 0 HB2 ARG A 95 14.036 11.620 1.540 1.00 10.02 H new ATOM 0 HB3 ARG A 95 14.338 10.006 2.153 1.00 10.02 H new ATOM 0 HG2 ARG A 95 14.066 9.143 -0.232 1.00 12.31 H new ATOM 0 HG3 ARG A 95 13.991 10.811 -0.764 1.00 12.31 H new ATOM 0 HD2 ARG A 95 16.357 9.601 0.741 1.00 72.11 H new ATOM 0 HD3 ARG A 95 16.272 9.745 -1.003 1.00 72.11 H new ATOM 0 HE ARG A 95 15.832 12.320 0.218 1.00 50.45 H new ATOM 0 HH11 ARG A 95 18.432 9.986 -0.517 1.00 54.42 H new ATOM 0 HH12 ARG A 95 19.682 11.233 -0.549 1.00 54.42 H new ATOM 0 HH21 ARG A 95 17.436 13.887 0.128 1.00 62.12 H new ATOM 0 HH22 ARG A 95 19.117 13.440 -0.185 1.00 62.12 H new ATOM 1634 N LYS A 96 11.121 10.638 -0.620 1.00 50.34 N ATOM 1635 CA LYS A 96 10.331 11.299 -1.683 1.00 13.11 C ATOM 1636 C LYS A 96 8.837 11.382 -1.277 1.00 15.24 C ATOM 1637 O LYS A 96 8.136 12.348 -1.595 1.00 10.43 O ATOM 1638 CB LYS A 96 10.501 10.499 -3.012 1.00 50.41 C ATOM 1639 CG LYS A 96 11.972 10.165 -3.380 1.00 42.33 C ATOM 1640 CD LYS A 96 12.874 11.407 -3.630 1.00 64.03 C ATOM 1641 CE LYS A 96 12.759 11.978 -5.062 1.00 31.02 C ATOM 1642 NZ LYS A 96 11.369 12.356 -5.434 1.00 50.03 N ATOM 0 H LYS A 96 11.370 9.675 -0.847 1.00 50.34 H new ATOM 0 HA LYS A 96 10.692 12.317 -1.827 1.00 13.11 H new ATOM 0 HB2 LYS A 96 9.939 9.568 -2.935 1.00 50.41 H new ATOM 0 HB3 LYS A 96 10.058 11.073 -3.826 1.00 50.41 H new ATOM 0 HG2 LYS A 96 12.408 9.571 -2.577 1.00 42.33 H new ATOM 0 HG3 LYS A 96 11.977 9.543 -4.275 1.00 42.33 H new ATOM 0 HD2 LYS A 96 12.611 12.186 -2.915 1.00 64.03 H new ATOM 0 HD3 LYS A 96 13.912 11.136 -3.438 1.00 64.03 H new ATOM 0 HE2 LYS A 96 13.402 12.854 -5.149 1.00 31.02 H new ATOM 0 HE3 LYS A 96 13.129 11.238 -5.772 1.00 31.02 H new ATOM 0 HZ1 LYS A 96 11.392 13.010 -6.242 1.00 50.03 H new ATOM 0 HZ2 LYS A 96 10.835 11.502 -5.694 1.00 50.03 H new ATOM 0 HZ3 LYS A 96 10.907 12.820 -4.626 1.00 50.03 H new ATOM 1656 N ILE A 97 8.382 10.341 -0.566 1.00 73.32 N ATOM 1657 CA ILE A 97 6.983 10.181 -0.116 1.00 15.52 C ATOM 1658 C ILE A 97 6.691 11.066 1.126 1.00 44.30 C ATOM 1659 O ILE A 97 5.622 11.681 1.229 1.00 4.23 O ATOM 1660 CB ILE A 97 6.693 8.660 0.193 1.00 74.12 C ATOM 1661 CG1 ILE A 97 7.078 7.761 -1.035 1.00 24.22 C ATOM 1662 CG2 ILE A 97 5.229 8.414 0.614 1.00 35.21 C ATOM 1663 CD1 ILE A 97 6.471 8.179 -2.376 1.00 11.21 C ATOM 0 H ILE A 97 8.984 9.569 -0.280 1.00 73.32 H new ATOM 0 HA ILE A 97 6.319 10.511 -0.915 1.00 15.52 H new ATOM 0 HB ILE A 97 7.318 8.382 1.041 1.00 74.12 H new ATOM 0 HG12 ILE A 97 8.164 7.757 -1.133 1.00 24.22 H new ATOM 0 HG13 ILE A 97 6.773 6.736 -0.822 1.00 24.22 H new ATOM 0 HG21 ILE A 97 5.082 7.353 0.815 1.00 35.21 H new ATOM 0 HG22 ILE A 97 5.008 8.988 1.514 1.00 35.21 H new ATOM 0 HG23 ILE A 97 4.562 8.727 -0.189 1.00 35.21 H new ATOM 0 HD11 ILE A 97 6.801 7.492 -3.155 1.00 11.21 H new ATOM 0 HD12 ILE A 97 5.383 8.154 -2.307 1.00 11.21 H new ATOM 0 HD13 ILE A 97 6.795 9.190 -2.623 1.00 11.21 H new ATOM 1675 N GLU A 98 7.667 11.108 2.054 1.00 40.54 N ATOM 1676 CA GLU A 98 7.655 11.988 3.251 1.00 1.41 C ATOM 1677 C GLU A 98 7.704 13.469 2.860 1.00 31.51 C ATOM 1678 O GLU A 98 7.157 14.323 3.568 1.00 11.02 O ATOM 1679 CB GLU A 98 8.866 11.648 4.160 1.00 71.31 C ATOM 1680 CG GLU A 98 8.889 10.188 4.632 1.00 74.31 C ATOM 1681 CD GLU A 98 10.153 9.813 5.410 1.00 23.21 C ATOM 1682 OE1 GLU A 98 11.243 9.800 4.803 1.00 71.23 O ATOM 1683 OE2 GLU A 98 10.068 9.511 6.625 1.00 51.43 O ATOM 0 H GLU A 98 8.501 10.524 1.997 1.00 40.54 H new ATOM 0 HA GLU A 98 6.724 11.812 3.790 1.00 1.41 H new ATOM 0 HB2 GLU A 98 9.787 11.860 3.618 1.00 71.31 H new ATOM 0 HB3 GLU A 98 8.851 12.303 5.031 1.00 71.31 H new ATOM 0 HG2 GLU A 98 8.018 10.005 5.261 1.00 74.31 H new ATOM 0 HG3 GLU A 98 8.799 9.534 3.765 1.00 74.31 H new ATOM 1690 N SER A 99 8.373 13.752 1.729 1.00 75.00 N ATOM 1691 CA SER A 99 8.437 15.097 1.146 1.00 22.31 C ATOM 1692 C SER A 99 7.032 15.576 0.722 1.00 32.23 C ATOM 1693 O SER A 99 6.697 16.756 0.867 1.00 20.32 O ATOM 1694 CB SER A 99 9.393 15.094 -0.059 1.00 52.14 C ATOM 1695 OG SER A 99 9.585 16.400 -0.573 1.00 52.12 O ATOM 0 H SER A 99 8.885 13.050 1.194 1.00 75.00 H new ATOM 0 HA SER A 99 8.815 15.789 1.898 1.00 22.31 H new ATOM 0 HB2 SER A 99 10.354 14.674 0.239 1.00 52.14 H new ATOM 0 HB3 SER A 99 8.992 14.449 -0.841 1.00 52.14 H new ATOM 0 HG SER A 99 10.198 16.364 -1.337 1.00 52.12 H new ATOM 1701 N GLN A 100 6.221 14.631 0.198 1.00 22.35 N ATOM 1702 CA GLN A 100 4.813 14.875 -0.178 1.00 13.43 C ATOM 1703 C GLN A 100 3.892 14.829 1.068 1.00 22.44 C ATOM 1704 O GLN A 100 2.782 15.373 1.049 1.00 14.05 O ATOM 1705 CB GLN A 100 4.377 13.830 -1.240 1.00 44.52 C ATOM 1706 CG GLN A 100 5.214 13.861 -2.539 1.00 33.03 C ATOM 1707 CD GLN A 100 4.809 12.772 -3.536 1.00 51.54 C ATOM 1708 OE1 GLN A 100 3.931 12.979 -4.374 1.00 44.12 O ATOM 1709 NE2 GLN A 100 5.451 11.613 -3.461 1.00 3.11 N ATOM 0 H GLN A 100 6.527 13.674 0.024 1.00 22.35 H new ATOM 0 HA GLN A 100 4.723 15.873 -0.608 1.00 13.43 H new ATOM 0 HB2 GLN A 100 4.443 12.834 -0.802 1.00 44.52 H new ATOM 0 HB3 GLN A 100 3.330 13.999 -1.491 1.00 44.52 H new ATOM 0 HG2 GLN A 100 5.106 14.837 -3.012 1.00 33.03 H new ATOM 0 HG3 GLN A 100 6.268 13.743 -2.289 1.00 33.03 H new ATOM 0 HE21 GLN A 100 6.173 11.475 -2.754 1.00 3.11 H new ATOM 0 HE22 GLN A 100 5.222 10.860 -4.110 1.00 3.11 H new ATOM 1718 N GLY A 101 4.369 14.164 2.143 1.00 64.31 N ATOM 1719 CA GLY A 101 3.691 14.168 3.447 1.00 63.33 C ATOM 1720 C GLY A 101 2.706 13.021 3.622 1.00 14.24 C ATOM 1721 O GLY A 101 1.668 13.185 4.269 1.00 13.41 O ATOM 0 H GLY A 101 5.228 13.615 2.127 1.00 64.31 H new ATOM 0 HA2 GLY A 101 4.440 14.117 4.237 1.00 63.33 H new ATOM 0 HA3 GLY A 101 3.162 15.113 3.570 1.00 63.33 H new ATOM 1725 N TYR A 102 3.020 11.855 3.032 1.00 73.43 N ATOM 1726 CA TYR A 102 2.191 10.640 3.177 1.00 75.11 C ATOM 1727 C TYR A 102 2.742 9.769 4.317 1.00 72.53 C ATOM 1728 O TYR A 102 3.965 9.688 4.496 1.00 12.51 O ATOM 1729 CB TYR A 102 2.155 9.853 1.846 1.00 32.24 C ATOM 1730 CG TYR A 102 1.664 10.672 0.632 1.00 43.20 C ATOM 1731 CD1 TYR A 102 0.555 11.523 0.731 1.00 64.24 C ATOM 1732 CD2 TYR A 102 2.302 10.589 -0.612 1.00 32.54 C ATOM 1733 CE1 TYR A 102 0.108 12.253 -0.355 1.00 75.25 C ATOM 1734 CE2 TYR A 102 1.852 11.320 -1.700 1.00 14.25 C ATOM 1735 CZ TYR A 102 0.758 12.150 -1.566 1.00 34.41 C ATOM 1736 OH TYR A 102 0.315 12.892 -2.642 1.00 15.02 O ATOM 0 H TYR A 102 3.845 11.725 2.447 1.00 73.43 H new ATOM 0 HA TYR A 102 1.169 10.929 3.424 1.00 75.11 H new ATOM 0 HB2 TYR A 102 3.156 9.476 1.634 1.00 32.24 H new ATOM 0 HB3 TYR A 102 1.507 8.985 1.969 1.00 32.24 H new ATOM 0 HD1 TYR A 102 0.039 11.611 1.675 1.00 64.24 H new ATOM 0 HD2 TYR A 102 3.160 9.944 -0.725 1.00 32.54 H new ATOM 0 HE1 TYR A 102 -0.749 12.903 -0.254 1.00 75.25 H new ATOM 0 HE2 TYR A 102 2.357 11.240 -2.651 1.00 14.25 H new ATOM 0 HH TYR A 102 1.003 12.899 -3.340 1.00 15.02 H new ATOM 1746 N GLU A 103 1.832 9.128 5.080 1.00 42.24 N ATOM 1747 CA GLU A 103 2.183 8.324 6.266 1.00 74.52 C ATOM 1748 C GLU A 103 2.790 6.976 5.829 1.00 4.42 C ATOM 1749 O GLU A 103 2.071 6.010 5.576 1.00 61.31 O ATOM 1750 CB GLU A 103 0.918 8.119 7.148 1.00 43.22 C ATOM 1751 CG GLU A 103 1.147 7.375 8.486 1.00 44.31 C ATOM 1752 CD GLU A 103 2.147 8.090 9.413 1.00 14.02 C ATOM 1753 OE1 GLU A 103 1.833 9.212 9.876 1.00 32.23 O ATOM 1754 OE2 GLU A 103 3.234 7.534 9.695 1.00 42.52 O ATOM 0 H GLU A 103 0.830 9.155 4.889 1.00 42.24 H new ATOM 0 HA GLU A 103 2.932 8.849 6.859 1.00 74.52 H new ATOM 0 HB2 GLU A 103 0.487 9.096 7.366 1.00 43.22 H new ATOM 0 HB3 GLU A 103 0.179 7.567 6.568 1.00 43.22 H new ATOM 0 HG2 GLU A 103 0.193 7.269 9.003 1.00 44.31 H new ATOM 0 HG3 GLU A 103 1.510 6.369 8.277 1.00 44.31 H new ATOM 1761 N VAL A 104 4.123 6.938 5.722 1.00 2.12 N ATOM 1762 CA VAL A 104 4.870 5.785 5.173 1.00 31.30 C ATOM 1763 C VAL A 104 5.667 5.056 6.274 1.00 32.42 C ATOM 1764 O VAL A 104 6.272 5.686 7.148 1.00 24.21 O ATOM 1765 CB VAL A 104 5.828 6.247 4.010 1.00 73.31 C ATOM 1766 CG1 VAL A 104 6.697 7.447 4.440 1.00 14.22 C ATOM 1767 CG2 VAL A 104 6.695 5.072 3.463 1.00 43.23 C ATOM 0 H VAL A 104 4.724 7.709 6.014 1.00 2.12 H new ATOM 0 HA VAL A 104 4.143 5.082 4.766 1.00 31.30 H new ATOM 0 HB VAL A 104 5.196 6.579 3.187 1.00 73.31 H new ATOM 0 HG11 VAL A 104 7.346 7.740 3.615 1.00 14.22 H new ATOM 0 HG12 VAL A 104 6.053 8.284 4.711 1.00 14.22 H new ATOM 0 HG13 VAL A 104 7.307 7.166 5.299 1.00 14.22 H new ATOM 0 HG21 VAL A 104 7.340 5.437 2.663 1.00 43.23 H new ATOM 0 HG22 VAL A 104 7.309 4.667 4.268 1.00 43.23 H new ATOM 0 HG23 VAL A 104 6.043 4.289 3.075 1.00 43.23 H new ATOM 1777 N ARG A 105 5.651 3.720 6.211 1.00 21.22 N ATOM 1778 CA ARG A 105 6.386 2.838 7.125 1.00 51.30 C ATOM 1779 C ARG A 105 7.314 1.929 6.303 1.00 42.21 C ATOM 1780 O ARG A 105 6.851 1.167 5.445 1.00 2.33 O ATOM 1781 CB ARG A 105 5.399 1.993 7.980 1.00 62.12 C ATOM 1782 CG ARG A 105 4.563 2.797 9.005 1.00 31.51 C ATOM 1783 CD ARG A 105 5.433 3.531 10.050 1.00 35.33 C ATOM 1784 NE ARG A 105 6.307 2.607 10.812 1.00 33.30 N ATOM 1785 CZ ARG A 105 7.117 2.959 11.831 1.00 1.13 C ATOM 1786 NH1 ARG A 105 7.193 4.221 12.248 1.00 24.02 N ATOM 1787 NH2 ARG A 105 7.859 2.034 12.428 1.00 3.52 N ATOM 0 H ARG A 105 5.115 3.211 5.508 1.00 21.22 H new ATOM 0 HA ARG A 105 6.985 3.439 7.809 1.00 51.30 H new ATOM 0 HB2 ARG A 105 4.717 1.470 7.309 1.00 62.12 H new ATOM 0 HB3 ARG A 105 5.966 1.231 8.515 1.00 62.12 H new ATOM 0 HG2 ARG A 105 3.950 3.526 8.474 1.00 31.51 H new ATOM 0 HG3 ARG A 105 3.880 2.121 9.519 1.00 31.51 H new ATOM 0 HD2 ARG A 105 6.049 4.276 9.546 1.00 35.33 H new ATOM 0 HD3 ARG A 105 4.786 4.069 10.743 1.00 35.33 H new ATOM 0 HE ARG A 105 6.295 1.623 10.543 1.00 33.30 H new ATOM 0 HH11 ARG A 105 6.632 4.942 11.795 1.00 24.02 H new ATOM 0 HH12 ARG A 105 7.812 4.466 13.021 1.00 24.02 H new ATOM 0 HH21 ARG A 105 7.814 1.064 12.115 1.00 3.52 H new ATOM 0 HH22 ARG A 105 8.474 2.293 13.199 1.00 3.52 H new ATOM 1801 N LYS A 106 8.623 2.043 6.550 1.00 21.33 N ATOM 1802 CA LYS A 106 9.665 1.260 5.866 1.00 62.24 C ATOM 1803 C LYS A 106 10.157 0.152 6.794 1.00 5.13 C ATOM 1804 O LYS A 106 10.584 0.429 7.922 1.00 35.24 O ATOM 1805 CB LYS A 106 10.824 2.213 5.444 1.00 24.04 C ATOM 1806 CG LYS A 106 11.995 1.579 4.632 1.00 53.32 C ATOM 1807 CD LYS A 106 13.218 1.159 5.484 1.00 13.53 C ATOM 1808 CE LYS A 106 13.864 2.342 6.233 1.00 43.01 C ATOM 1809 NZ LYS A 106 15.103 1.935 6.957 1.00 11.13 N ATOM 0 H LYS A 106 8.998 2.692 7.242 1.00 21.33 H new ATOM 0 HA LYS A 106 9.264 0.792 4.967 1.00 62.24 H new ATOM 0 HB2 LYS A 106 10.399 3.023 4.851 1.00 24.04 H new ATOM 0 HB3 LYS A 106 11.240 2.662 6.346 1.00 24.04 H new ATOM 0 HG2 LYS A 106 11.620 0.703 4.102 1.00 53.32 H new ATOM 0 HG3 LYS A 106 12.323 2.292 3.876 1.00 53.32 H new ATOM 0 HD2 LYS A 106 12.909 0.404 6.207 1.00 13.53 H new ATOM 0 HD3 LYS A 106 13.963 0.695 4.837 1.00 13.53 H new ATOM 0 HE2 LYS A 106 14.103 3.134 5.523 1.00 43.01 H new ATOM 0 HE3 LYS A 106 13.148 2.756 6.943 1.00 43.01 H new ATOM 0 HZ1 LYS A 106 15.119 2.382 7.896 1.00 11.13 H new ATOM 0 HZ2 LYS A 106 15.118 0.901 7.065 1.00 11.13 H new ATOM 0 HZ3 LYS A 106 15.937 2.238 6.415 1.00 11.13 H new ATOM 1823 N VAL A 107 10.084 -1.098 6.319 1.00 0.22 N ATOM 1824 CA VAL A 107 10.541 -2.283 7.055 1.00 30.33 C ATOM 1825 C VAL A 107 11.466 -3.084 6.145 1.00 23.31 C ATOM 1826 O VAL A 107 11.415 -2.947 4.917 1.00 25.34 O ATOM 1827 CB VAL A 107 9.353 -3.198 7.559 1.00 51.32 C ATOM 1828 CG1 VAL A 107 8.426 -2.430 8.515 1.00 43.54 C ATOM 1829 CG2 VAL A 107 8.545 -3.802 6.392 1.00 1.44 C ATOM 0 H VAL A 107 9.700 -1.317 5.400 1.00 0.22 H new ATOM 0 HA VAL A 107 11.064 -1.943 7.949 1.00 30.33 H new ATOM 0 HB VAL A 107 9.806 -4.025 8.105 1.00 51.32 H new ATOM 0 HG11 VAL A 107 7.619 -3.085 8.844 1.00 43.54 H new ATOM 0 HG12 VAL A 107 8.995 -2.092 9.381 1.00 43.54 H new ATOM 0 HG13 VAL A 107 8.005 -1.567 7.999 1.00 43.54 H new ATOM 0 HG21 VAL A 107 7.741 -4.422 6.789 1.00 1.44 H new ATOM 0 HG22 VAL A 107 8.121 -2.999 5.789 1.00 1.44 H new ATOM 0 HG23 VAL A 107 9.202 -4.412 5.772 1.00 1.44 H new ATOM 1839 N THR A 108 12.327 -3.887 6.757 1.00 4.21 N ATOM 1840 CA THR A 108 13.238 -4.770 6.030 1.00 15.40 C ATOM 1841 C THR A 108 12.521 -6.102 5.734 1.00 0.51 C ATOM 1842 O THR A 108 12.243 -6.433 4.580 1.00 63.40 O ATOM 1843 CB THR A 108 14.556 -5.014 6.840 1.00 20.03 C ATOM 1844 OG1 THR A 108 15.136 -3.744 7.206 1.00 4.44 O ATOM 1845 CG2 THR A 108 15.590 -5.847 6.044 1.00 10.44 C ATOM 0 H THR A 108 12.416 -3.947 7.771 1.00 4.21 H new ATOM 0 HA THR A 108 13.520 -4.295 5.090 1.00 15.40 H new ATOM 0 HB THR A 108 14.294 -5.584 7.731 1.00 20.03 H new ATOM 0 HG1 THR A 108 15.960 -3.895 7.714 1.00 4.44 H new ATOM 0 HG21 THR A 108 16.486 -5.989 6.648 1.00 10.44 H new ATOM 0 HG22 THR A 108 15.162 -6.818 5.797 1.00 10.44 H new ATOM 0 HG23 THR A 108 15.851 -5.321 5.126 1.00 10.44 H new ATOM 1853 N ASP A 109 12.153 -6.812 6.806 1.00 55.44 N ATOM 1854 CA ASP A 109 11.709 -8.208 6.741 1.00 4.12 C ATOM 1855 C ASP A 109 10.178 -8.378 6.674 1.00 75.30 C ATOM 1856 O ASP A 109 9.399 -7.434 6.861 1.00 54.00 O ATOM 1857 CB ASP A 109 12.313 -8.998 7.938 1.00 14.23 C ATOM 1858 CG ASP A 109 13.852 -9.090 7.866 1.00 64.35 C ATOM 1859 OD1 ASP A 109 14.370 -9.966 7.141 1.00 61.45 O ATOM 1860 OD2 ASP A 109 14.549 -8.291 8.525 1.00 43.53 O ATOM 0 H ASP A 109 12.155 -6.430 7.752 1.00 55.44 H new ATOM 0 HA ASP A 109 12.078 -8.616 5.800 1.00 4.12 H new ATOM 0 HB2 ASP A 109 12.024 -8.515 8.871 1.00 14.23 H new ATOM 0 HB3 ASP A 109 11.892 -10.003 7.956 1.00 14.23 H new ATOM 1865 N ASP A 110 9.818 -9.640 6.384 1.00 62.01 N ATOM 1866 CA ASP A 110 8.452 -10.146 6.149 1.00 35.22 C ATOM 1867 C ASP A 110 7.528 -9.917 7.363 1.00 14.35 C ATOM 1868 O ASP A 110 6.455 -9.311 7.227 1.00 63.41 O ATOM 1869 CB ASP A 110 8.582 -11.667 5.763 1.00 54.30 C ATOM 1870 CG ASP A 110 7.305 -12.526 5.892 1.00 64.24 C ATOM 1871 OD1 ASP A 110 6.960 -12.924 7.026 1.00 13.11 O ATOM 1872 OD2 ASP A 110 6.680 -12.862 4.863 1.00 33.41 O ATOM 0 H ASP A 110 10.515 -10.380 6.302 1.00 62.01 H new ATOM 0 HA ASP A 110 7.977 -9.596 5.336 1.00 35.22 H new ATOM 0 HB2 ASP A 110 8.931 -11.728 4.732 1.00 54.30 H new ATOM 0 HB3 ASP A 110 9.356 -12.112 6.388 1.00 54.30 H new ATOM 1877 N GLU A 111 7.970 -10.401 8.545 1.00 71.34 N ATOM 1878 CA GLU A 111 7.178 -10.350 9.799 1.00 52.13 C ATOM 1879 C GLU A 111 6.839 -8.901 10.209 1.00 72.35 C ATOM 1880 O GLU A 111 5.774 -8.639 10.775 1.00 40.11 O ATOM 1881 CB GLU A 111 7.936 -11.066 10.956 1.00 45.24 C ATOM 1882 CG GLU A 111 9.349 -10.506 11.252 1.00 71.14 C ATOM 1883 CD GLU A 111 10.002 -11.126 12.502 1.00 24.21 C ATOM 1884 OE1 GLU A 111 10.516 -12.262 12.420 1.00 71.15 O ATOM 1885 OE2 GLU A 111 10.007 -10.482 13.573 1.00 60.53 O ATOM 0 H GLU A 111 8.885 -10.838 8.659 1.00 71.34 H new ATOM 0 HA GLU A 111 6.240 -10.871 9.607 1.00 52.13 H new ATOM 0 HB2 GLU A 111 7.336 -10.996 11.863 1.00 45.24 H new ATOM 0 HB3 GLU A 111 8.024 -12.125 10.713 1.00 45.24 H new ATOM 0 HG2 GLU A 111 9.991 -10.684 10.389 1.00 71.14 H new ATOM 0 HG3 GLU A 111 9.284 -9.426 11.383 1.00 71.14 H new ATOM 1892 N GLU A 112 7.759 -7.973 9.884 1.00 54.43 N ATOM 1893 CA GLU A 112 7.645 -6.557 10.246 1.00 64.52 C ATOM 1894 C GLU A 112 6.535 -5.865 9.442 1.00 11.21 C ATOM 1895 O GLU A 112 5.864 -4.957 9.948 1.00 50.21 O ATOM 1896 CB GLU A 112 8.999 -5.843 10.042 1.00 62.02 C ATOM 1897 CG GLU A 112 10.185 -6.471 10.802 1.00 73.02 C ATOM 1898 CD GLU A 112 11.479 -5.656 10.656 1.00 63.50 C ATOM 1899 OE1 GLU A 112 11.988 -5.533 9.527 1.00 10.34 O ATOM 1900 OE2 GLU A 112 11.979 -5.103 11.661 1.00 40.42 O ATOM 0 H GLU A 112 8.606 -8.192 9.359 1.00 54.43 H new ATOM 0 HA GLU A 112 7.375 -6.495 11.300 1.00 64.52 H new ATOM 0 HB2 GLU A 112 9.232 -5.835 8.977 1.00 62.02 H new ATOM 0 HB3 GLU A 112 8.896 -4.804 10.354 1.00 62.02 H new ATOM 0 HG2 GLU A 112 9.931 -6.556 11.859 1.00 73.02 H new ATOM 0 HG3 GLU A 112 10.354 -7.483 10.433 1.00 73.02 H new ATOM 1907 N ALA A 113 6.354 -6.314 8.188 1.00 75.12 N ATOM 1908 CA ALA A 113 5.262 -5.853 7.325 1.00 61.10 C ATOM 1909 C ALA A 113 3.913 -6.365 7.857 1.00 2.04 C ATOM 1910 O ALA A 113 2.947 -5.605 7.900 1.00 54.31 O ATOM 1911 CB ALA A 113 5.495 -6.296 5.878 1.00 73.34 C ATOM 0 H ALA A 113 6.961 -7.005 7.748 1.00 75.12 H new ATOM 0 HA ALA A 113 5.239 -4.763 7.337 1.00 61.10 H new ATOM 0 HB1 ALA A 113 4.674 -5.944 5.253 1.00 73.34 H new ATOM 0 HB2 ALA A 113 6.433 -5.875 5.515 1.00 73.34 H new ATOM 0 HB3 ALA A 113 5.544 -7.384 5.834 1.00 73.34 H new ATOM 1917 N LEU A 114 3.886 -7.635 8.334 1.00 22.43 N ATOM 1918 CA LEU A 114 2.657 -8.284 8.851 1.00 43.13 C ATOM 1919 C LEU A 114 2.145 -7.566 10.111 1.00 65.45 C ATOM 1920 O LEU A 114 0.930 -7.502 10.338 1.00 3.23 O ATOM 1921 CB LEU A 114 2.915 -9.783 9.171 1.00 2.43 C ATOM 1922 CG LEU A 114 3.212 -10.706 7.948 1.00 35.14 C ATOM 1923 CD1 LEU A 114 3.612 -12.124 8.413 1.00 0.34 C ATOM 1924 CD2 LEU A 114 2.006 -10.742 6.970 1.00 23.21 C ATOM 0 H LEU A 114 4.711 -8.234 8.371 1.00 22.43 H new ATOM 0 HA LEU A 114 1.896 -8.215 8.073 1.00 43.13 H new ATOM 0 HB2 LEU A 114 3.757 -9.846 9.861 1.00 2.43 H new ATOM 0 HB3 LEU A 114 2.044 -10.177 9.694 1.00 2.43 H new ATOM 0 HG LEU A 114 4.059 -10.288 7.404 1.00 35.14 H new ATOM 0 HD11 LEU A 114 3.814 -12.749 7.543 1.00 0.34 H new ATOM 0 HD12 LEU A 114 4.507 -12.065 9.033 1.00 0.34 H new ATOM 0 HD13 LEU A 114 2.798 -12.560 8.992 1.00 0.34 H new ATOM 0 HD21 LEU A 114 2.240 -11.392 6.127 1.00 23.21 H new ATOM 0 HD22 LEU A 114 1.127 -11.124 7.490 1.00 23.21 H new ATOM 0 HD23 LEU A 114 1.803 -9.735 6.606 1.00 23.21 H new ATOM 1936 N LYS A 115 3.094 -7.038 10.921 1.00 13.34 N ATOM 1937 CA LYS A 115 2.768 -6.230 12.107 1.00 44.30 C ATOM 1938 C LYS A 115 1.927 -5.014 11.701 1.00 4.52 C ATOM 1939 O LYS A 115 0.786 -4.892 12.115 1.00 34.02 O ATOM 1940 CB LYS A 115 4.044 -5.744 12.849 1.00 51.15 C ATOM 1941 CG LYS A 115 4.905 -6.854 13.486 1.00 50.13 C ATOM 1942 CD LYS A 115 6.044 -6.262 14.364 1.00 3.11 C ATOM 1943 CE LYS A 115 7.006 -5.352 13.574 1.00 51.03 C ATOM 1944 NZ LYS A 115 8.003 -4.675 14.445 1.00 75.04 N ATOM 0 H LYS A 115 4.095 -7.162 10.768 1.00 13.34 H new ATOM 0 HA LYS A 115 2.202 -6.868 12.786 1.00 44.30 H new ATOM 0 HB2 LYS A 115 4.663 -5.187 12.145 1.00 51.15 H new ATOM 0 HB3 LYS A 115 3.745 -5.046 13.631 1.00 51.15 H new ATOM 0 HG2 LYS A 115 4.274 -7.500 14.096 1.00 50.13 H new ATOM 0 HG3 LYS A 115 5.336 -7.477 12.702 1.00 50.13 H new ATOM 0 HD2 LYS A 115 5.605 -5.692 15.183 1.00 3.11 H new ATOM 0 HD3 LYS A 115 6.611 -7.078 14.812 1.00 3.11 H new ATOM 0 HE2 LYS A 115 7.529 -5.947 12.825 1.00 51.03 H new ATOM 0 HE3 LYS A 115 6.429 -4.599 13.037 1.00 51.03 H new ATOM 0 HZ1 LYS A 115 8.623 -4.077 13.863 1.00 75.04 H new ATOM 0 HZ2 LYS A 115 7.509 -4.084 15.144 1.00 75.04 H new ATOM 0 HZ3 LYS A 115 8.575 -5.390 14.938 1.00 75.04 H new ATOM 1958 N ILE A 116 2.499 -4.182 10.811 1.00 11.00 N ATOM 1959 CA ILE A 116 1.947 -2.865 10.446 1.00 1.22 C ATOM 1960 C ILE A 116 0.650 -2.998 9.600 1.00 42.32 C ATOM 1961 O ILE A 116 -0.195 -2.099 9.615 1.00 11.14 O ATOM 1962 CB ILE A 116 3.050 -2.004 9.714 1.00 3.33 C ATOM 1963 CG1 ILE A 116 4.335 -1.921 10.612 1.00 20.20 C ATOM 1964 CG2 ILE A 116 2.534 -0.589 9.339 1.00 44.21 C ATOM 1965 CD1 ILE A 116 5.477 -1.101 10.040 1.00 34.45 C ATOM 0 H ILE A 116 3.365 -4.407 10.321 1.00 11.00 H new ATOM 0 HA ILE A 116 1.660 -2.344 11.359 1.00 1.22 H new ATOM 0 HB ILE A 116 3.301 -2.499 8.776 1.00 3.33 H new ATOM 0 HG12 ILE A 116 4.056 -1.500 11.578 1.00 20.20 H new ATOM 0 HG13 ILE A 116 4.694 -2.933 10.797 1.00 20.20 H new ATOM 0 HG21 ILE A 116 3.327 -0.034 8.838 1.00 44.21 H new ATOM 0 HG22 ILE A 116 1.677 -0.679 8.672 1.00 44.21 H new ATOM 0 HG23 ILE A 116 2.236 -0.059 10.244 1.00 44.21 H new ATOM 0 HD11 ILE A 116 6.315 -1.108 10.737 1.00 34.45 H new ATOM 0 HD12 ILE A 116 5.793 -1.530 9.089 1.00 34.45 H new ATOM 0 HD13 ILE A 116 5.145 -0.075 9.882 1.00 34.45 H new ATOM 1977 N VAL A 117 0.501 -4.135 8.884 1.00 41.44 N ATOM 1978 CA VAL A 117 -0.765 -4.510 8.210 1.00 14.53 C ATOM 1979 C VAL A 117 -1.897 -4.620 9.260 1.00 10.35 C ATOM 1980 O VAL A 117 -2.947 -3.979 9.126 1.00 50.53 O ATOM 1981 CB VAL A 117 -0.611 -5.868 7.405 1.00 23.43 C ATOM 1982 CG1 VAL A 117 -1.978 -6.440 6.951 1.00 34.43 C ATOM 1983 CG2 VAL A 117 0.327 -5.686 6.185 1.00 21.02 C ATOM 0 H VAL A 117 1.250 -4.816 8.757 1.00 41.44 H new ATOM 0 HA VAL A 117 -1.018 -3.733 7.489 1.00 14.53 H new ATOM 0 HB VAL A 117 -0.165 -6.590 8.089 1.00 23.43 H new ATOM 0 HG11 VAL A 117 -1.820 -7.370 6.404 1.00 34.43 H new ATOM 0 HG12 VAL A 117 -2.599 -6.634 7.825 1.00 34.43 H new ATOM 0 HG13 VAL A 117 -2.477 -5.719 6.304 1.00 34.43 H new ATOM 0 HG21 VAL A 117 0.416 -6.632 5.650 1.00 21.02 H new ATOM 0 HG22 VAL A 117 -0.086 -4.929 5.518 1.00 21.02 H new ATOM 0 HG23 VAL A 117 1.312 -5.369 6.527 1.00 21.02 H new ATOM 1993 N ARG A 118 -1.633 -5.401 10.325 1.00 73.13 N ATOM 1994 CA ARG A 118 -2.604 -5.646 11.413 1.00 35.25 C ATOM 1995 C ARG A 118 -2.822 -4.377 12.267 1.00 61.34 C ATOM 1996 O ARG A 118 -3.942 -4.092 12.688 1.00 61.22 O ATOM 1997 CB ARG A 118 -2.128 -6.834 12.300 1.00 55.12 C ATOM 1998 CG ARG A 118 -2.046 -8.186 11.549 1.00 64.03 C ATOM 1999 CD ARG A 118 -1.447 -9.319 12.408 1.00 3.11 C ATOM 2000 NE ARG A 118 -1.392 -10.607 11.679 1.00 53.25 N ATOM 2001 CZ ARG A 118 -0.370 -11.485 11.707 1.00 3.45 C ATOM 2002 NH1 ARG A 118 0.722 -11.238 12.428 1.00 32.55 N ATOM 2003 NH2 ARG A 118 -0.464 -12.622 11.026 1.00 53.54 N ATOM 0 H ARG A 118 -0.742 -5.880 10.457 1.00 73.13 H new ATOM 0 HA ARG A 118 -3.561 -5.907 10.962 1.00 35.25 H new ATOM 0 HB2 ARG A 118 -1.146 -6.598 12.710 1.00 55.12 H new ATOM 0 HB3 ARG A 118 -2.809 -6.940 13.144 1.00 55.12 H new ATOM 0 HG2 ARG A 118 -3.045 -8.475 11.223 1.00 64.03 H new ATOM 0 HG3 ARG A 118 -1.441 -8.060 10.651 1.00 64.03 H new ATOM 0 HD2 ARG A 118 -0.442 -9.040 12.724 1.00 3.11 H new ATOM 0 HD3 ARG A 118 -2.043 -9.441 13.312 1.00 3.11 H new ATOM 0 HE ARG A 118 -2.199 -10.851 11.105 1.00 53.25 H new ATOM 0 HH11 ARG A 118 0.792 -10.376 12.968 1.00 32.55 H new ATOM 0 HH12 ARG A 118 1.488 -11.911 12.440 1.00 32.55 H new ATOM 0 HH21 ARG A 118 -1.306 -12.825 10.487 1.00 53.54 H new ATOM 0 HH22 ARG A 118 0.305 -13.291 11.042 1.00 53.54 H new ATOM 2017 N GLU A 119 -1.738 -3.625 12.514 1.00 30.11 N ATOM 2018 CA GLU A 119 -1.790 -2.347 13.251 1.00 61.45 C ATOM 2019 C GLU A 119 -2.605 -1.285 12.492 1.00 71.51 C ATOM 2020 O GLU A 119 -3.288 -0.471 13.124 1.00 62.20 O ATOM 2021 CB GLU A 119 -0.356 -1.838 13.562 1.00 42.10 C ATOM 2022 CG GLU A 119 0.427 -2.765 14.515 1.00 24.21 C ATOM 2023 CD GLU A 119 1.817 -2.231 14.882 1.00 41.33 C ATOM 2024 OE1 GLU A 119 1.924 -1.469 15.871 1.00 22.10 O ATOM 2025 OE2 GLU A 119 2.806 -2.571 14.199 1.00 34.12 O ATOM 0 H GLU A 119 -0.799 -3.884 12.210 1.00 30.11 H new ATOM 0 HA GLU A 119 -2.302 -2.528 14.196 1.00 61.45 H new ATOM 0 HB2 GLU A 119 0.197 -1.738 12.628 1.00 42.10 H new ATOM 0 HB3 GLU A 119 -0.419 -0.843 14.004 1.00 42.10 H new ATOM 0 HG2 GLU A 119 -0.152 -2.907 15.428 1.00 24.21 H new ATOM 0 HG3 GLU A 119 0.534 -3.745 14.050 1.00 24.21 H new ATOM 2032 N PHE A 120 -2.558 -1.316 11.141 1.00 33.43 N ATOM 2033 CA PHE A 120 -3.353 -0.398 10.295 1.00 4.24 C ATOM 2034 C PHE A 120 -4.855 -0.658 10.481 1.00 33.34 C ATOM 2035 O PHE A 120 -5.666 0.271 10.364 1.00 3.00 O ATOM 2036 CB PHE A 120 -2.976 -0.506 8.791 1.00 72.32 C ATOM 2037 CG PHE A 120 -3.790 0.436 7.892 1.00 75.54 C ATOM 2038 CD1 PHE A 120 -3.480 1.796 7.818 1.00 44.01 C ATOM 2039 CD2 PHE A 120 -4.887 -0.025 7.152 1.00 2.44 C ATOM 2040 CE1 PHE A 120 -4.231 2.657 7.035 1.00 11.33 C ATOM 2041 CE2 PHE A 120 -5.641 0.843 6.377 1.00 54.14 C ATOM 2042 CZ PHE A 120 -5.306 2.182 6.313 1.00 54.34 C ATOM 0 H PHE A 120 -1.977 -1.968 10.613 1.00 33.43 H new ATOM 0 HA PHE A 120 -3.119 0.616 10.619 1.00 4.24 H new ATOM 0 HB2 PHE A 120 -1.915 -0.284 8.672 1.00 72.32 H new ATOM 0 HB3 PHE A 120 -3.126 -1.533 8.459 1.00 72.32 H new ATOM 0 HD1 PHE A 120 -2.642 2.182 8.380 1.00 44.01 H new ATOM 0 HD2 PHE A 120 -5.149 -1.072 7.186 1.00 2.44 H new ATOM 0 HE1 PHE A 120 -3.974 3.705 6.990 1.00 11.33 H new ATOM 0 HE2 PHE A 120 -6.491 0.472 5.823 1.00 54.14 H new ATOM 0 HZ PHE A 120 -5.885 2.856 5.699 1.00 54.34 H new ATOM 2052 N MET A 121 -5.208 -1.918 10.781 1.00 54.32 N ATOM 2053 CA MET A 121 -6.610 -2.327 10.961 1.00 54.44 C ATOM 2054 C MET A 121 -7.300 -1.518 12.084 1.00 22.55 C ATOM 2055 O MET A 121 -8.503 -1.250 12.017 1.00 20.55 O ATOM 2056 CB MET A 121 -6.717 -3.854 11.206 1.00 13.33 C ATOM 2057 CG MET A 121 -6.042 -4.703 10.114 1.00 41.21 C ATOM 2058 SD MET A 121 -6.713 -4.377 8.469 1.00 31.51 S ATOM 2059 CE MET A 121 -5.539 -5.208 7.401 1.00 33.43 C ATOM 0 H MET A 121 -4.536 -2.676 10.905 1.00 54.32 H new ATOM 0 HA MET A 121 -7.141 -2.104 10.036 1.00 54.44 H new ATOM 0 HB2 MET A 121 -6.266 -4.091 12.169 1.00 13.33 H new ATOM 0 HB3 MET A 121 -7.769 -4.130 11.270 1.00 13.33 H new ATOM 0 HG2 MET A 121 -4.971 -4.501 10.112 1.00 41.21 H new ATOM 0 HG3 MET A 121 -6.167 -5.760 10.351 1.00 41.21 H new ATOM 0 HE1 MET A 121 -5.207 -4.522 6.622 1.00 33.43 H new ATOM 0 HE2 MET A 121 -4.680 -5.534 7.988 1.00 33.43 H new ATOM 0 HE3 MET A 121 -6.015 -6.075 6.942 1.00 33.43 H new ATOM 2069 N GLN A 122 -6.512 -1.109 13.104 1.00 22.21 N ATOM 2070 CA GLN A 122 -6.991 -0.237 14.201 1.00 3.24 C ATOM 2071 C GLN A 122 -6.576 1.248 13.990 1.00 32.44 C ATOM 2072 O GLN A 122 -7.206 2.136 14.566 1.00 4.13 O ATOM 2073 CB GLN A 122 -6.528 -0.785 15.584 1.00 32.31 C ATOM 2074 CG GLN A 122 -5.011 -0.947 15.757 1.00 44.15 C ATOM 2075 CD GLN A 122 -4.618 -1.541 17.116 1.00 44.34 C ATOM 2076 OE1 GLN A 122 -4.507 -2.759 17.278 1.00 74.23 O ATOM 2077 NE2 GLN A 122 -4.387 -0.682 18.096 1.00 50.35 N ATOM 0 H GLN A 122 -5.530 -1.373 13.190 1.00 22.21 H new ATOM 0 HA GLN A 122 -8.081 -0.254 14.187 1.00 3.24 H new ATOM 0 HB2 GLN A 122 -6.895 -0.116 16.362 1.00 32.31 H new ATOM 0 HB3 GLN A 122 -7.000 -1.754 15.748 1.00 32.31 H new ATOM 0 HG2 GLN A 122 -4.628 -1.588 14.963 1.00 44.15 H new ATOM 0 HG3 GLN A 122 -4.533 0.025 15.641 1.00 44.15 H new ATOM 0 HE21 GLN A 122 -4.487 0.319 17.931 1.00 50.35 H new ATOM 0 HE22 GLN A 122 -4.109 -1.021 19.017 1.00 50.35 H new