USER MOD reduce.3.24.130724 H: found=0, std=0, add=725, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 725 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 29 LYS NZ :NH3+ 150:sc= -0.627 (180deg=-2.76!) USER MOD Set 1.2: A 32 TYR OH : rot 180:sc= 0.301 USER MOD Set 2.1: A 21 THR OG1 : rot 113:sc= 0.353 USER MOD Set 2.2: A 23 ASN : amide:sc= 0.301 K(o=0.65,f=-2.7!) USER MOD Set 3.1: A 5 HIS : no HE2:sc= -0.0504 K(o=-2.4,f=-3) USER MOD Set 3.2: A 7 SER OG : rot -86:sc= -0.666 USER MOD Set 3.3: A 37 THR OG1 : rot -172:sc= -1.72! USER MOD Set 4.1: A 4 HIS : no HD1:sc= 0 X(o=0,f=-0.0023) USER MOD Set 4.2: A 77 GLN : amide:sc= 0 X(o=0,f=0.0092) USER MOD Single : A 1 HIS : no HD1:sc=-0.00607 X(o=-0.0061,f=-0.0061) USER MOD Single : A 1 HIS N :NH3+ -170:sc= 0 (180deg=-0.0942) USER MOD Single : A 2 HIS : no HD1:sc= -0.671 K(o=-0.67,f=-0.11) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 6 HIS : no HE2:sc= -0.743 K(o=-0.74,f=-2.3) USER MOD Single : A 8 HIS : no HE2:sc= -0.294 K(o=-0.29,f=-1.8!) USER MOD Single : A 9 MET CE :methyl -160:sc= -0.089 (180deg=-0.554) USER MOD Single : A 13 THR OG1 : rot -150:sc=-0.00107 USER MOD Single : A 19 HIS : no HE2:sc= -1.76 X(o=-1.8,f=-1.9!) USER MOD Single : A 20 GLN : amide:sc= -0.177 K(o=-0.18,f=-1.9!) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 48:sc= 0.108 USER MOD Single : A 38 THR OG1 : rot -160:sc= 0.141 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.149) USER MOD Single : A 52 HIS : no HD1:sc= -0.0789 X(o=-0.079,f=-0.24) USER MOD Single : A 55 HIS : no HE2:sc= 0.038 K(o=0.038,f=-1.9!) USER MOD Single : A 57 LYS NZ :NH3+ -109:sc= 1.22 (180deg=0.00974) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 140:sc= -0.22 USER MOD Single : A 74 GLN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : A 76 SER OG : rot 94:sc= 0.0815 USER MOD Single : A 78 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 81 LYS NZ :NH3+ -164:sc= 0.95 (180deg=0.743) USER MOD Single : A 85 THR OG1 : rot -120:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 1 -8.643 -20.345 3.827 1.00 75.00 N ATOM 2 CA HIS A 1 -7.481 -20.093 4.710 1.00 75.00 C ATOM 3 C HIS A 1 -6.188 -20.294 3.907 1.00 75.00 C ATOM 4 O HIS A 1 -5.262 -19.481 3.973 1.00 75.00 O ATOM 5 CB HIS A 1 -7.514 -21.035 5.952 1.00 75.00 C ATOM 6 CG HIS A 1 -8.742 -20.896 6.820 1.00 75.00 C ATOM 7 ND1 HIS A 1 -9.767 -21.823 6.840 1.00 75.00 N ATOM 8 CD2 HIS A 1 -9.098 -19.939 7.706 1.00 75.00 C ATOM 9 CE1 HIS A 1 -10.691 -21.438 7.694 1.00 75.00 C ATOM 10 NE2 HIS A 1 -10.312 -20.300 8.234 1.00 75.00 N ATOM 0 H1 HIS A 1 -9.516 -20.049 4.309 1.00 75.00 H new ATOM 0 H2 HIS A 1 -8.533 -19.803 2.946 1.00 75.00 H new ATOM 0 H3 HIS A 1 -8.697 -21.360 3.605 1.00 75.00 H new ATOM 0 HA HIS A 1 -7.522 -19.067 5.076 1.00 75.00 H new ATOM 0 HB2 HIS A 1 -7.443 -22.067 5.609 1.00 75.00 H new ATOM 0 HB3 HIS A 1 -6.632 -20.840 6.562 1.00 75.00 H new ATOM 0 HD2 HIS A 1 -8.531 -19.053 7.953 1.00 75.00 H new ATOM 0 HE1 HIS A 1 -11.606 -21.967 7.914 1.00 75.00 H new ATOM 0 HE2 HIS A 1 -10.836 -19.772 8.932 1.00 75.00 H new ATOM 21 N HIS A 2 -6.152 -21.395 3.136 1.00 75.00 N ATOM 22 CA HIS A 2 -5.034 -21.735 2.248 1.00 75.00 C ATOM 23 C HIS A 2 -5.139 -20.927 0.932 1.00 75.00 C ATOM 24 O HIS A 2 -5.807 -21.354 -0.017 1.00 75.00 O ATOM 25 CB HIS A 2 -5.044 -23.268 1.978 1.00 75.00 C ATOM 26 CG HIS A 2 -3.959 -23.764 1.061 1.00 75.00 C ATOM 27 ND1 HIS A 2 -4.178 -24.043 -0.268 1.00 75.00 N ATOM 28 CD2 HIS A 2 -2.657 -24.060 1.294 1.00 75.00 C ATOM 29 CE1 HIS A 2 -3.070 -24.488 -0.809 1.00 75.00 C ATOM 30 NE2 HIS A 2 -2.129 -24.512 0.112 1.00 75.00 N ATOM 0 H HIS A 2 -6.908 -22.079 3.114 1.00 75.00 H new ATOM 0 HA HIS A 2 -4.088 -21.473 2.722 1.00 75.00 H new ATOM 0 HB2 HIS A 2 -4.958 -23.789 2.931 1.00 75.00 H new ATOM 0 HB3 HIS A 2 -6.010 -23.539 1.552 1.00 75.00 H new ATOM 0 HD2 HIS A 2 -2.134 -23.959 2.234 1.00 75.00 H new ATOM 0 HE1 HIS A 2 -2.949 -24.786 -1.840 1.00 75.00 H new ATOM 0 HE2 HIS A 2 -1.166 -24.817 -0.030 1.00 75.00 H new ATOM 39 N HIS A 3 -4.526 -19.733 0.921 1.00 75.00 N ATOM 40 CA HIS A 3 -4.398 -18.891 -0.294 1.00 75.00 C ATOM 41 C HIS A 3 -3.274 -19.447 -1.200 1.00 75.00 C ATOM 42 O HIS A 3 -3.314 -19.280 -2.425 1.00 75.00 O ATOM 43 CB HIS A 3 -4.081 -17.412 0.077 1.00 75.00 C ATOM 44 CG HIS A 3 -5.171 -16.697 0.841 1.00 75.00 C ATOM 45 ND1 HIS A 3 -6.130 -15.905 0.235 1.00 75.00 N ATOM 46 CD2 HIS A 3 -5.442 -16.644 2.168 1.00 75.00 C ATOM 47 CE1 HIS A 3 -6.928 -15.399 1.154 1.00 75.00 C ATOM 48 NE2 HIS A 3 -6.530 -15.830 2.335 1.00 75.00 N ATOM 0 H HIS A 3 -4.103 -19.318 1.751 1.00 75.00 H new ATOM 0 HA HIS A 3 -5.349 -18.917 -0.825 1.00 75.00 H new ATOM 0 HB2 HIS A 3 -3.167 -17.390 0.671 1.00 75.00 H new ATOM 0 HB3 HIS A 3 -3.878 -16.859 -0.840 1.00 75.00 H new ATOM 0 HD2 HIS A 3 -4.898 -17.152 2.951 1.00 75.00 H new ATOM 0 HE1 HIS A 3 -7.766 -14.743 0.971 1.00 75.00 H new ATOM 0 HE2 HIS A 3 -6.963 -15.595 3.228 1.00 75.00 H new ATOM 57 N HIS A 4 -2.255 -20.059 -0.544 1.00 75.00 N ATOM 58 CA HIS A 4 -1.042 -20.643 -1.169 1.00 75.00 C ATOM 59 C HIS A 4 -0.010 -19.566 -1.582 1.00 75.00 C ATOM 60 O HIS A 4 1.200 -19.832 -1.556 1.00 75.00 O ATOM 61 CB HIS A 4 -1.359 -21.616 -2.348 1.00 75.00 C ATOM 62 CG HIS A 4 -0.135 -22.229 -2.998 1.00 75.00 C ATOM 63 ND1 HIS A 4 0.871 -22.835 -2.273 1.00 75.00 N ATOM 64 CD2 HIS A 4 0.271 -22.265 -4.293 1.00 75.00 C ATOM 65 CE1 HIS A 4 1.834 -23.211 -3.089 1.00 75.00 C ATOM 66 NE2 HIS A 4 1.497 -22.879 -4.314 1.00 75.00 N ATOM 0 H HIS A 4 -2.256 -20.163 0.471 1.00 75.00 H new ATOM 0 HA HIS A 4 -0.583 -21.249 -0.388 1.00 75.00 H new ATOM 0 HB2 HIS A 4 -2.000 -22.417 -1.980 1.00 75.00 H new ATOM 0 HB3 HIS A 4 -1.927 -21.076 -3.106 1.00 75.00 H new ATOM 0 HD2 HIS A 4 -0.270 -21.882 -5.146 1.00 75.00 H new ATOM 0 HE1 HIS A 4 2.748 -23.709 -2.799 1.00 75.00 H new ATOM 0 HE2 HIS A 4 2.058 -23.051 -5.148 1.00 75.00 H new ATOM 75 N HIS A 5 -0.480 -18.356 -1.950 1.00 75.00 N ATOM 76 CA HIS A 5 0.399 -17.236 -2.305 1.00 75.00 C ATOM 77 C HIS A 5 1.191 -16.759 -1.068 1.00 75.00 C ATOM 78 O HIS A 5 0.607 -16.254 -0.099 1.00 75.00 O ATOM 79 CB HIS A 5 -0.409 -16.065 -2.912 1.00 75.00 C ATOM 80 CG HIS A 5 0.459 -14.921 -3.375 1.00 75.00 C ATOM 81 ND1 HIS A 5 0.599 -13.740 -2.681 1.00 75.00 N ATOM 82 CD2 HIS A 5 1.269 -14.814 -4.452 1.00 75.00 C ATOM 83 CE1 HIS A 5 1.448 -12.960 -3.315 1.00 75.00 C ATOM 84 NE2 HIS A 5 1.871 -13.588 -4.386 1.00 75.00 N ATOM 0 H HIS A 5 -1.474 -18.134 -2.007 1.00 75.00 H new ATOM 0 HA HIS A 5 1.104 -17.587 -3.059 1.00 75.00 H new ATOM 0 HB2 HIS A 5 -0.993 -16.434 -3.755 1.00 75.00 H new ATOM 0 HB3 HIS A 5 -1.118 -15.698 -2.170 1.00 75.00 H new ATOM 0 HD1 HIS A 5 0.120 -13.506 -1.812 1.00 75.00 H new ATOM 0 HD2 HIS A 5 1.414 -15.558 -5.221 1.00 75.00 H new ATOM 0 HE1 HIS A 5 1.746 -11.969 -3.006 1.00 75.00 H new ATOM 93 N HIS A 6 2.516 -16.962 -1.129 1.00 75.00 N ATOM 94 CA HIS A 6 3.472 -16.518 -0.102 1.00 75.00 C ATOM 95 C HIS A 6 3.481 -14.983 -0.039 1.00 75.00 C ATOM 96 O HIS A 6 3.640 -14.319 -1.074 1.00 75.00 O ATOM 97 CB HIS A 6 4.887 -17.067 -0.421 1.00 75.00 C ATOM 98 CG HIS A 6 5.002 -18.573 -0.354 1.00 75.00 C ATOM 99 ND1 HIS A 6 5.735 -19.224 0.611 1.00 75.00 N ATOM 100 CD2 HIS A 6 4.460 -19.553 -1.123 1.00 75.00 C ATOM 101 CE1 HIS A 6 5.637 -20.523 0.441 1.00 75.00 C ATOM 102 NE2 HIS A 6 4.868 -20.752 -0.601 1.00 75.00 N ATOM 0 H HIS A 6 2.961 -17.448 -1.907 1.00 75.00 H new ATOM 0 HA HIS A 6 3.169 -16.905 0.871 1.00 75.00 H new ATOM 0 HB2 HIS A 6 5.175 -16.737 -1.419 1.00 75.00 H new ATOM 0 HB3 HIS A 6 5.600 -16.629 0.278 1.00 75.00 H new ATOM 0 HD1 HIS A 6 6.273 -18.767 1.347 1.00 75.00 H new ATOM 0 HD2 HIS A 6 3.825 -19.413 -1.986 1.00 75.00 H new ATOM 0 HE1 HIS A 6 6.109 -21.277 1.054 1.00 75.00 H new ATOM 111 N SER A 7 3.302 -14.441 1.168 1.00 75.00 N ATOM 112 CA SER A 7 3.057 -13.006 1.377 1.00 75.00 C ATOM 113 C SER A 7 4.347 -12.237 1.726 1.00 75.00 C ATOM 114 O SER A 7 5.395 -12.835 1.994 1.00 75.00 O ATOM 115 CB SER A 7 1.995 -12.832 2.489 1.00 75.00 C ATOM 116 OG SER A 7 1.630 -11.471 2.645 1.00 75.00 O ATOM 0 H SER A 7 3.322 -14.983 2.032 1.00 75.00 H new ATOM 0 HA SER A 7 2.688 -12.582 0.443 1.00 75.00 H new ATOM 0 HB2 SER A 7 1.111 -13.422 2.246 1.00 75.00 H new ATOM 0 HB3 SER A 7 2.386 -13.216 3.431 1.00 75.00 H new ATOM 0 HG SER A 7 2.260 -11.031 3.253 1.00 75.00 H new ATOM 122 N HIS A 8 4.248 -10.892 1.680 1.00 50.00 N ATOM 123 CA HIS A 8 5.249 -9.976 2.267 1.00 50.00 C ATOM 124 C HIS A 8 5.058 -9.949 3.788 1.00 50.00 C ATOM 125 O HIS A 8 3.973 -10.300 4.281 1.00 50.00 O ATOM 126 CB HIS A 8 5.112 -8.538 1.688 1.00 50.00 C ATOM 127 CG HIS A 8 5.554 -8.377 0.250 1.00 50.00 C ATOM 128 ND1 HIS A 8 6.187 -7.247 -0.211 1.00 75.00 N ATOM 129 CD2 HIS A 8 5.426 -9.191 -0.829 1.00 75.00 C ATOM 130 CE1 HIS A 8 6.425 -7.364 -1.495 1.00 75.00 C ATOM 131 NE2 HIS A 8 5.974 -8.535 -1.896 1.00 75.00 N ATOM 0 H HIS A 8 3.469 -10.409 1.233 1.00 50.00 H new ATOM 0 HA HIS A 8 6.247 -10.337 2.017 1.00 50.00 H new ATOM 0 HB2 HIS A 8 4.070 -8.230 1.767 1.00 50.00 H new ATOM 0 HB3 HIS A 8 5.694 -7.857 2.309 1.00 50.00 H new ATOM 0 HD1 HIS A 8 6.434 -6.439 0.360 1.00 75.00 H new ATOM 0 HD2 HIS A 8 4.976 -10.173 -0.842 1.00 75.00 H new ATOM 0 HE1 HIS A 8 6.908 -6.626 -2.118 1.00 75.00 H new ATOM 140 N MET A 9 6.113 -9.519 4.509 1.00 10.00 N ATOM 141 CA MET A 9 6.127 -9.451 5.984 1.00 10.00 C ATOM 142 C MET A 9 4.913 -8.668 6.529 1.00 10.00 C ATOM 143 O MET A 9 4.556 -7.619 5.982 1.00 50.00 O ATOM 144 CB MET A 9 7.464 -8.821 6.487 1.00 50.00 C ATOM 145 CG MET A 9 7.762 -7.395 5.987 1.00 50.00 C ATOM 146 SD MET A 9 9.213 -6.668 6.781 1.00 50.00 S ATOM 147 CE MET A 9 8.686 -6.536 8.495 1.00 75.00 C ATOM 0 H MET A 9 6.985 -9.207 4.081 1.00 10.00 H new ATOM 0 HA MET A 9 6.056 -10.470 6.365 1.00 10.00 H new ATOM 0 HB2 MET A 9 7.450 -8.808 7.577 1.00 50.00 H new ATOM 0 HB3 MET A 9 8.286 -9.471 6.186 1.00 50.00 H new ATOM 0 HG2 MET A 9 7.916 -7.417 4.908 1.00 50.00 H new ATOM 0 HG3 MET A 9 6.895 -6.761 6.172 1.00 50.00 H new ATOM 0 HE1 MET A 9 9.308 -5.805 9.012 1.00 75.00 H new ATOM 0 HE2 MET A 9 7.645 -6.216 8.532 1.00 75.00 H new ATOM 0 HE3 MET A 9 8.785 -7.506 8.982 1.00 75.00 H new ATOM 157 N VAL A 10 4.257 -9.215 7.573 1.00 10.00 N ATOM 158 CA VAL A 10 3.087 -8.573 8.193 1.00 10.00 C ATOM 159 C VAL A 10 3.543 -7.269 8.885 1.00 10.00 C ATOM 160 O VAL A 10 4.417 -7.282 9.763 1.00 50.00 O ATOM 161 CB VAL A 10 2.311 -9.562 9.170 1.00 50.00 C ATOM 162 CG1 VAL A 10 1.953 -10.878 8.432 1.00 50.00 C ATOM 163 CG2 VAL A 10 3.070 -9.869 10.484 1.00 50.00 C ATOM 0 H VAL A 10 4.521 -10.102 8.003 1.00 10.00 H new ATOM 0 HA VAL A 10 2.361 -8.316 7.422 1.00 10.00 H new ATOM 0 HB VAL A 10 1.399 -9.042 9.464 1.00 50.00 H new ATOM 0 HG11 VAL A 10 1.423 -11.544 9.113 1.00 50.00 H new ATOM 0 HG12 VAL A 10 1.317 -10.653 7.575 1.00 50.00 H new ATOM 0 HG13 VAL A 10 2.867 -11.363 8.088 1.00 50.00 H new ATOM 0 HG21 VAL A 10 2.477 -10.549 11.096 1.00 50.00 H new ATOM 0 HG22 VAL A 10 4.029 -10.333 10.251 1.00 50.00 H new ATOM 0 HG23 VAL A 10 3.239 -8.942 11.032 1.00 50.00 H new ATOM 173 N GLY A 11 3.012 -6.134 8.412 1.00 10.00 N ATOM 174 CA GLY A 11 3.497 -4.821 8.827 1.00 10.00 C ATOM 175 C GLY A 11 4.405 -4.152 7.783 1.00 10.00 C ATOM 176 O GLY A 11 5.037 -3.148 8.108 1.00 50.00 O ATOM 0 H GLY A 11 2.245 -6.104 7.740 1.00 10.00 H new ATOM 0 HA2 GLY A 11 2.644 -4.172 9.026 1.00 10.00 H new ATOM 0 HA3 GLY A 11 4.045 -4.923 9.764 1.00 10.00 H new ATOM 180 N ASP A 12 4.493 -4.710 6.543 1.00 10.00 N ATOM 181 CA ASP A 12 5.352 -4.145 5.449 1.00 10.00 C ATOM 182 C ASP A 12 4.942 -2.682 5.160 1.00 10.00 C ATOM 183 O ASP A 12 3.941 -2.445 4.483 1.00 50.00 O ATOM 184 CB ASP A 12 5.226 -4.997 4.147 1.00 50.00 C ATOM 185 CG ASP A 12 6.149 -4.582 2.959 1.00 50.00 C ATOM 186 OD1 ASP A 12 6.989 -3.652 3.087 1.00 50.00 O ATOM 187 OD2 ASP A 12 5.997 -5.180 1.868 1.00 50.00 O ATOM 0 H ASP A 12 3.982 -5.550 6.271 1.00 10.00 H new ATOM 0 HA ASP A 12 6.390 -4.172 5.780 1.00 10.00 H new ATOM 0 HB2 ASP A 12 5.436 -6.037 4.397 1.00 50.00 H new ATOM 0 HB3 ASP A 12 4.191 -4.953 3.808 1.00 50.00 H new ATOM 192 N THR A 13 5.731 -1.710 5.661 1.00 10.00 N ATOM 193 CA THR A 13 5.329 -0.301 5.638 1.00 10.00 C ATOM 194 C THR A 13 5.412 0.249 4.214 1.00 10.00 C ATOM 195 O THR A 13 6.487 0.316 3.610 1.00 50.00 O ATOM 196 CB THR A 13 6.173 0.576 6.602 1.00 50.00 C ATOM 197 OG1 THR A 13 6.152 -0.021 7.906 1.00 50.00 O ATOM 198 CG2 THR A 13 5.631 2.028 6.688 1.00 50.00 C ATOM 0 H THR A 13 6.644 -1.880 6.083 1.00 10.00 H new ATOM 0 HA THR A 13 4.297 -0.257 5.987 1.00 10.00 H new ATOM 0 HB THR A 13 7.191 0.627 6.216 1.00 50.00 H new ATOM 0 HG1 THR A 13 6.236 0.678 8.587 1.00 50.00 H new ATOM 0 HG21 THR A 13 6.250 2.607 7.373 1.00 50.00 H new ATOM 0 HG22 THR A 13 5.658 2.486 5.699 1.00 50.00 H new ATOM 0 HG23 THR A 13 4.604 2.012 7.053 1.00 50.00 H new ATOM 206 N VAL A 14 4.235 0.566 3.690 1.00 10.00 N ATOM 207 CA VAL A 14 4.037 1.136 2.368 1.00 10.00 C ATOM 208 C VAL A 14 3.247 2.444 2.500 1.00 10.00 C ATOM 209 O VAL A 14 2.875 2.876 3.600 1.00 50.00 O ATOM 210 CB VAL A 14 3.269 0.135 1.418 1.00 50.00 C ATOM 211 CG1 VAL A 14 4.082 -1.163 1.199 1.00 50.00 C ATOM 212 CG2 VAL A 14 1.843 -0.165 1.950 1.00 50.00 C ATOM 0 H VAL A 14 3.360 0.427 4.195 1.00 10.00 H new ATOM 0 HA VAL A 14 5.013 1.331 1.923 1.00 10.00 H new ATOM 0 HB VAL A 14 3.157 0.617 0.447 1.00 50.00 H new ATOM 0 HG11 VAL A 14 3.528 -1.833 0.541 1.00 50.00 H new ATOM 0 HG12 VAL A 14 5.042 -0.919 0.744 1.00 50.00 H new ATOM 0 HG13 VAL A 14 4.250 -1.653 2.158 1.00 50.00 H new ATOM 0 HG21 VAL A 14 1.341 -0.857 1.274 1.00 50.00 H new ATOM 0 HG22 VAL A 14 1.911 -0.612 2.942 1.00 50.00 H new ATOM 0 HG23 VAL A 14 1.274 0.763 2.009 1.00 50.00 H new ATOM 222 N TRP A 15 3.003 3.054 1.356 1.00 10.00 N ATOM 223 CA TRP A 15 2.186 4.246 1.204 1.00 10.00 C ATOM 224 C TRP A 15 1.106 3.919 0.172 1.00 10.00 C ATOM 225 O TRP A 15 1.332 3.089 -0.715 1.00 50.00 O ATOM 226 CB TRP A 15 3.075 5.450 0.748 1.00 50.00 C ATOM 227 CG TRP A 15 4.049 5.961 1.808 1.00 50.00 C ATOM 228 CD1 TRP A 15 3.898 5.881 3.164 1.00 50.00 C ATOM 229 CD2 TRP A 15 5.299 6.651 1.602 1.00 50.00 C ATOM 230 NE1 TRP A 15 4.949 6.478 3.802 1.00 50.00 N ATOM 231 CE2 TRP A 15 5.822 6.958 2.874 1.00 50.00 C ATOM 232 CE3 TRP A 15 6.024 7.042 0.476 1.00 50.00 C ATOM 233 CZ2 TRP A 15 7.028 7.639 3.048 1.00 50.00 C ATOM 234 CZ3 TRP A 15 7.224 7.716 0.646 1.00 50.00 C ATOM 235 CH2 TRP A 15 7.716 8.010 1.925 1.00 50.00 C ATOM 0 H TRP A 15 3.383 2.720 0.470 1.00 10.00 H new ATOM 0 HA TRP A 15 1.722 4.536 2.147 1.00 10.00 H new ATOM 0 HB2 TRP A 15 3.642 5.152 -0.134 1.00 50.00 H new ATOM 0 HB3 TRP A 15 2.424 6.271 0.446 1.00 50.00 H new ATOM 0 HD1 TRP A 15 3.063 5.411 3.663 1.00 50.00 H new ATOM 0 HE1 TRP A 15 5.061 6.552 4.813 1.00 50.00 H new ATOM 0 HE3 TRP A 15 5.655 6.823 -0.515 1.00 50.00 H new ATOM 0 HZ2 TRP A 15 7.405 7.865 4.035 1.00 50.00 H new ATOM 0 HZ3 TRP A 15 7.789 8.020 -0.223 1.00 50.00 H new ATOM 0 HH2 TRP A 15 8.653 8.538 2.026 1.00 50.00 H new ATOM 246 N VAL A 16 -0.069 4.562 0.286 1.00 10.00 N ATOM 247 CA VAL A 16 -1.147 4.387 -0.693 1.00 10.00 C ATOM 248 C VAL A 16 -1.186 5.651 -1.556 1.00 10.00 C ATOM 249 O VAL A 16 -1.608 6.736 -1.123 1.00 50.00 O ATOM 250 CB VAL A 16 -2.556 4.094 -0.034 1.00 50.00 C ATOM 251 CG1 VAL A 16 -3.679 4.047 -1.104 1.00 50.00 C ATOM 252 CG2 VAL A 16 -2.508 2.758 0.747 1.00 50.00 C ATOM 0 H VAL A 16 -0.293 5.205 1.045 1.00 10.00 H new ATOM 0 HA VAL A 16 -0.937 3.504 -1.297 1.00 10.00 H new ATOM 0 HB VAL A 16 -2.783 4.907 0.656 1.00 50.00 H new ATOM 0 HG11 VAL A 16 -4.634 3.844 -0.620 1.00 50.00 H new ATOM 0 HG12 VAL A 16 -3.730 5.006 -1.620 1.00 50.00 H new ATOM 0 HG13 VAL A 16 -3.462 3.258 -1.824 1.00 50.00 H new ATOM 0 HG21 VAL A 16 -3.482 2.564 1.197 1.00 50.00 H new ATOM 0 HG22 VAL A 16 -2.256 1.946 0.064 1.00 50.00 H new ATOM 0 HG23 VAL A 16 -1.752 2.821 1.530 1.00 50.00 H new ATOM 262 N ARG A 17 -0.662 5.463 -2.767 1.00 10.00 N ATOM 263 CA ARG A 17 -0.427 6.503 -3.758 1.00 10.00 C ATOM 264 C ARG A 17 -1.744 6.811 -4.512 1.00 10.00 C ATOM 265 O ARG A 17 -2.083 6.154 -5.498 1.00 50.00 O ATOM 266 CB ARG A 17 0.694 5.966 -4.699 1.00 50.00 C ATOM 267 CG ARG A 17 1.220 6.963 -5.731 1.00 50.00 C ATOM 268 CD ARG A 17 2.276 6.348 -6.665 1.00 50.00 C ATOM 269 NE ARG A 17 2.780 7.332 -7.641 1.00 50.00 N ATOM 270 CZ ARG A 17 2.938 7.112 -8.958 1.00 50.00 C ATOM 271 NH1 ARG A 17 2.622 5.935 -9.495 1.00 75.00 N ATOM 272 NH2 ARG A 17 3.446 8.073 -9.726 1.00 75.00 N ATOM 0 H ARG A 17 -0.379 4.540 -3.095 1.00 10.00 H new ATOM 0 HA ARG A 17 -0.107 7.444 -3.310 1.00 10.00 H new ATOM 0 HB2 ARG A 17 1.530 5.630 -4.085 1.00 50.00 H new ATOM 0 HB3 ARG A 17 0.314 5.091 -5.226 1.00 50.00 H new ATOM 0 HG2 ARG A 17 0.387 7.337 -6.327 1.00 50.00 H new ATOM 0 HG3 ARG A 17 1.652 7.820 -5.215 1.00 50.00 H new ATOM 0 HD2 ARG A 17 3.107 5.965 -6.073 1.00 50.00 H new ATOM 0 HD3 ARG A 17 1.843 5.499 -7.194 1.00 50.00 H new ATOM 0 HE ARG A 17 3.029 8.256 -7.288 1.00 50.00 H new ATOM 0 HH11 ARG A 17 2.255 5.188 -8.906 1.00 75.00 H new ATOM 0 HH12 ARG A 17 2.747 5.781 -10.496 1.00 75.00 H new ATOM 0 HH21 ARG A 17 3.712 8.968 -9.314 1.00 75.00 H new ATOM 0 HH22 ARG A 17 3.569 7.915 -10.726 1.00 75.00 H new ATOM 286 N ARG A 18 -2.490 7.804 -4.006 1.00 10.00 N ATOM 287 CA ARG A 18 -3.860 8.109 -4.468 1.00 10.00 C ATOM 288 C ARG A 18 -3.845 9.017 -5.719 1.00 10.00 C ATOM 289 O ARG A 18 -3.261 10.103 -5.702 1.00 50.00 O ATOM 290 CB ARG A 18 -4.656 8.784 -3.316 1.00 50.00 C ATOM 291 CG ARG A 18 -6.138 9.060 -3.655 1.00 50.00 C ATOM 292 CD ARG A 18 -6.911 9.736 -2.507 1.00 50.00 C ATOM 293 NE ARG A 18 -8.326 9.930 -2.861 1.00 75.00 N ATOM 294 CZ ARG A 18 -9.260 10.527 -2.094 1.00 75.00 C ATOM 295 NH1 ARG A 18 -8.959 10.995 -0.883 1.00 75.00 N ATOM 296 NH2 ARG A 18 -10.498 10.649 -2.550 1.00 75.00 N ATOM 0 H ARG A 18 -2.163 8.422 -3.263 1.00 10.00 H new ATOM 0 HA ARG A 18 -4.347 7.175 -4.748 1.00 10.00 H new ATOM 0 HB2 ARG A 18 -4.608 8.147 -2.433 1.00 50.00 H new ATOM 0 HB3 ARG A 18 -4.172 9.725 -3.056 1.00 50.00 H new ATOM 0 HG2 ARG A 18 -6.189 9.694 -4.540 1.00 50.00 H new ATOM 0 HG3 ARG A 18 -6.627 8.119 -3.908 1.00 50.00 H new ATOM 0 HD2 ARG A 18 -6.839 9.125 -1.607 1.00 50.00 H new ATOM 0 HD3 ARG A 18 -6.456 10.699 -2.276 1.00 50.00 H new ATOM 0 HE ARG A 18 -8.628 9.581 -3.770 1.00 75.00 H new ATOM 0 HH11 ARG A 18 -8.009 10.904 -0.523 1.00 75.00 H new ATOM 0 HH12 ARG A 18 -9.679 11.444 -0.316 1.00 75.00 H new ATOM 0 HH21 ARG A 18 -10.738 10.292 -3.475 1.00 75.00 H new ATOM 0 HH22 ARG A 18 -11.211 11.099 -1.976 1.00 75.00 H new ATOM 310 N HIS A 19 -4.521 8.571 -6.791 1.00 50.00 N ATOM 311 CA HIS A 19 -4.606 9.301 -8.076 1.00 50.00 C ATOM 312 C HIS A 19 -6.071 9.643 -8.389 1.00 50.00 C ATOM 313 O HIS A 19 -6.870 8.751 -8.695 1.00 75.00 O ATOM 314 CB HIS A 19 -4.003 8.435 -9.209 1.00 75.00 C ATOM 315 CG HIS A 19 -3.990 9.100 -10.562 1.00 75.00 C ATOM 316 ND1 HIS A 19 -4.801 8.707 -11.601 1.00 75.00 N ATOM 317 CD2 HIS A 19 -3.230 10.113 -11.050 1.00 75.00 C ATOM 318 CE1 HIS A 19 -4.543 9.440 -12.660 1.00 75.00 C ATOM 319 NE2 HIS A 19 -3.594 10.302 -12.351 1.00 75.00 N ATOM 0 H HIS A 19 -5.029 7.687 -6.794 1.00 50.00 H new ATOM 0 HA HIS A 19 -4.039 10.229 -8.001 1.00 50.00 H new ATOM 0 HB2 HIS A 19 -2.981 8.167 -8.940 1.00 75.00 H new ATOM 0 HB3 HIS A 19 -4.569 7.506 -9.280 1.00 75.00 H new ATOM 0 HD1 HIS A 19 -5.496 7.961 -11.556 1.00 75.00 H new ATOM 0 HD2 HIS A 19 -2.477 10.667 -10.509 1.00 75.00 H new ATOM 0 HE1 HIS A 19 -5.027 9.352 -13.622 1.00 75.00 H new ATOM 328 N GLN A 20 -6.414 10.937 -8.301 1.00 75.00 N ATOM 329 CA GLN A 20 -7.787 11.419 -8.540 1.00 75.00 C ATOM 330 C GLN A 20 -7.994 11.799 -10.017 1.00 75.00 C ATOM 331 O GLN A 20 -8.892 11.267 -10.685 1.00 75.00 O ATOM 332 CB GLN A 20 -8.111 12.610 -7.597 1.00 75.00 C ATOM 333 CG GLN A 20 -8.129 12.243 -6.099 1.00 75.00 C ATOM 334 CD GLN A 20 -9.159 11.156 -5.772 1.00 75.00 C ATOM 335 OE1 GLN A 20 -8.854 9.960 -5.803 1.00 75.00 O ATOM 336 NE2 GLN A 20 -10.381 11.556 -5.455 1.00 75.00 N ATOM 0 H GLN A 20 -5.753 11.677 -8.064 1.00 75.00 H new ATOM 0 HA GLN A 20 -8.481 10.609 -8.315 1.00 75.00 H new ATOM 0 HB2 GLN A 20 -7.374 13.397 -7.758 1.00 75.00 H new ATOM 0 HB3 GLN A 20 -9.082 13.022 -7.871 1.00 75.00 H new ATOM 0 HG2 GLN A 20 -7.138 11.901 -5.800 1.00 75.00 H new ATOM 0 HG3 GLN A 20 -8.349 13.135 -5.513 1.00 75.00 H new ATOM 0 HE21 GLN A 20 -10.603 12.551 -5.438 1.00 75.00 H new ATOM 0 HE22 GLN A 20 -11.100 10.869 -5.228 1.00 75.00 H new ATOM 345 N THR A 21 -7.159 12.719 -10.526 1.00 75.00 N ATOM 346 CA THR A 21 -7.245 13.199 -11.923 1.00 75.00 C ATOM 347 C THR A 21 -5.944 12.905 -12.695 1.00 75.00 C ATOM 348 O THR A 21 -4.849 12.961 -12.127 1.00 75.00 O ATOM 349 CB THR A 21 -7.583 14.723 -11.969 1.00 75.00 C ATOM 350 OG1 THR A 21 -6.613 15.468 -11.209 1.00 75.00 O ATOM 351 CG2 THR A 21 -8.998 15.014 -11.427 1.00 75.00 C ATOM 0 H THR A 21 -6.408 13.152 -9.988 1.00 75.00 H new ATOM 0 HA THR A 21 -8.054 12.656 -12.411 1.00 75.00 H new ATOM 0 HB THR A 21 -7.552 15.033 -13.013 1.00 75.00 H new ATOM 0 HG1 THR A 21 -6.080 16.025 -11.815 1.00 75.00 H new ATOM 0 HG21 THR A 21 -9.193 16.085 -11.477 1.00 75.00 H new ATOM 0 HG22 THR A 21 -9.735 14.483 -12.029 1.00 75.00 H new ATOM 0 HG23 THR A 21 -9.067 14.680 -10.392 1.00 75.00 H new ATOM 359 N LYS A 22 -6.099 12.623 -14.006 1.00 75.00 N ATOM 360 CA LYS A 22 -5.026 12.132 -14.896 1.00 75.00 C ATOM 361 C LYS A 22 -3.953 13.201 -15.165 1.00 75.00 C ATOM 362 O LYS A 22 -2.767 12.872 -15.307 1.00 75.00 O ATOM 363 CB LYS A 22 -5.647 11.654 -16.233 1.00 75.00 C ATOM 364 CG LYS A 22 -6.709 10.546 -16.072 1.00 75.00 C ATOM 365 CD LYS A 22 -7.353 10.166 -17.421 1.00 75.00 C ATOM 366 CE LYS A 22 -8.401 9.057 -17.305 1.00 75.00 C ATOM 367 NZ LYS A 22 -8.992 8.721 -18.632 1.00 75.00 N ATOM 0 H LYS A 22 -6.993 12.733 -14.485 1.00 75.00 H new ATOM 0 HA LYS A 22 -4.530 11.302 -14.393 1.00 75.00 H new ATOM 0 HB2 LYS A 22 -6.101 12.508 -16.736 1.00 75.00 H new ATOM 0 HB3 LYS A 22 -4.851 11.288 -16.881 1.00 75.00 H new ATOM 0 HG2 LYS A 22 -6.248 9.663 -15.628 1.00 75.00 H new ATOM 0 HG3 LYS A 22 -7.483 10.882 -15.382 1.00 75.00 H new ATOM 0 HD2 LYS A 22 -7.818 11.051 -17.855 1.00 75.00 H new ATOM 0 HD3 LYS A 22 -6.572 9.846 -18.111 1.00 75.00 H new ATOM 0 HE2 LYS A 22 -7.944 8.167 -16.874 1.00 75.00 H new ATOM 0 HE3 LYS A 22 -9.191 9.372 -16.623 1.00 75.00 H new ATOM 0 HZ1 LYS A 22 -9.698 7.966 -18.516 1.00 75.00 H new ATOM 0 HZ2 LYS A 22 -9.450 9.565 -19.032 1.00 75.00 H new ATOM 0 HZ3 LYS A 22 -8.241 8.397 -19.275 1.00 75.00 H new ATOM 381 N ASN A 23 -4.392 14.473 -15.247 1.00 75.00 N ATOM 382 CA ASN A 23 -3.494 15.620 -15.497 1.00 75.00 C ATOM 383 C ASN A 23 -2.498 15.823 -14.336 1.00 50.00 C ATOM 384 O ASN A 23 -1.373 16.290 -14.542 1.00 50.00 O ATOM 385 CB ASN A 23 -4.313 16.925 -15.752 1.00 50.00 C ATOM 386 CG ASN A 23 -5.135 17.411 -14.547 1.00 75.00 C ATOM 387 OD1 ASN A 23 -5.649 16.623 -13.757 1.00 75.00 O ATOM 388 ND2 ASN A 23 -5.267 18.720 -14.397 1.00 75.00 N ATOM 0 H ASN A 23 -5.373 14.734 -15.143 1.00 75.00 H new ATOM 0 HA ASN A 23 -2.918 15.394 -16.394 1.00 75.00 H new ATOM 0 HB2 ASN A 23 -3.626 17.717 -16.050 1.00 50.00 H new ATOM 0 HB3 ASN A 23 -4.988 16.757 -16.591 1.00 50.00 H new ATOM 0 HD21 ASN A 23 -5.804 19.092 -13.614 1.00 75.00 H new ATOM 0 HD22 ASN A 23 -4.832 19.356 -15.065 1.00 75.00 H new ATOM 395 N LEU A 24 -2.922 15.443 -13.122 1.00 10.00 N ATOM 396 CA LEU A 24 -2.118 15.588 -11.896 1.00 50.00 C ATOM 397 C LEU A 24 -1.439 14.264 -11.524 1.00 50.00 C ATOM 398 O LEU A 24 -1.916 13.176 -11.882 1.00 50.00 O ATOM 399 CB LEU A 24 -3.016 16.098 -10.737 1.00 50.00 C ATOM 400 CG LEU A 24 -3.590 17.539 -10.927 1.00 75.00 C ATOM 401 CD1 LEU A 24 -4.481 17.959 -9.744 1.00 75.00 C ATOM 402 CD2 LEU A 24 -2.458 18.559 -11.169 1.00 75.00 C ATOM 0 H LEU A 24 -3.838 15.024 -12.960 1.00 10.00 H new ATOM 0 HA LEU A 24 -1.331 16.320 -12.077 1.00 50.00 H new ATOM 0 HB2 LEU A 24 -3.849 15.406 -10.612 1.00 50.00 H new ATOM 0 HB3 LEU A 24 -2.439 16.073 -9.813 1.00 50.00 H new ATOM 0 HG LEU A 24 -4.222 17.525 -11.815 1.00 75.00 H new ATOM 0 HD11 LEU A 24 -4.861 18.967 -9.914 1.00 75.00 H new ATOM 0 HD12 LEU A 24 -5.318 17.266 -9.655 1.00 75.00 H new ATOM 0 HD13 LEU A 24 -3.896 17.942 -8.824 1.00 75.00 H new ATOM 0 HD21 LEU A 24 -2.886 19.553 -11.298 1.00 75.00 H new ATOM 0 HD22 LEU A 24 -1.782 18.563 -10.314 1.00 75.00 H new ATOM 0 HD23 LEU A 24 -1.905 18.283 -12.067 1.00 75.00 H new ATOM 414 N GLU A 25 -0.311 14.392 -10.805 1.00 50.00 N ATOM 415 CA GLU A 25 0.489 13.255 -10.331 1.00 10.00 C ATOM 416 C GLU A 25 -0.181 12.628 -9.083 1.00 10.00 C ATOM 417 O GLU A 25 -0.789 13.359 -8.286 1.00 50.00 O ATOM 418 CB GLU A 25 1.936 13.727 -10.002 1.00 50.00 C ATOM 419 CG GLU A 25 2.673 14.374 -11.196 1.00 50.00 C ATOM 420 CD GLU A 25 4.096 14.839 -10.848 1.00 75.00 C ATOM 421 OE1 GLU A 25 4.257 15.970 -10.341 1.00 75.00 O ATOM 422 OE2 GLU A 25 5.063 14.076 -11.066 1.00 75.00 O ATOM 0 H GLU A 25 0.073 15.298 -10.535 1.00 50.00 H new ATOM 0 HA GLU A 25 0.543 12.498 -11.113 1.00 10.00 H new ATOM 0 HB2 GLU A 25 1.896 14.444 -9.182 1.00 50.00 H new ATOM 0 HB3 GLU A 25 2.515 12.873 -9.651 1.00 50.00 H new ATOM 0 HG2 GLU A 25 2.722 13.658 -12.016 1.00 50.00 H new ATOM 0 HG3 GLU A 25 2.096 15.227 -11.552 1.00 50.00 H new ATOM 429 N PRO A 26 -0.088 11.272 -8.895 1.00 10.00 N ATOM 430 CA PRO A 26 -0.673 10.590 -7.719 1.00 50.00 C ATOM 431 C PRO A 26 0.059 10.987 -6.418 1.00 10.00 C ATOM 432 O PRO A 26 1.290 10.956 -6.369 1.00 50.00 O ATOM 433 CB PRO A 26 -0.498 9.075 -8.045 1.00 50.00 C ATOM 434 CG PRO A 26 -0.127 9.013 -9.499 1.00 50.00 C ATOM 435 CD PRO A 26 0.597 10.305 -9.790 1.00 50.00 C ATOM 0 HA PRO A 26 -1.715 10.859 -7.548 1.00 50.00 H new ATOM 0 HB2 PRO A 26 0.278 8.628 -7.423 1.00 50.00 H new ATOM 0 HB3 PRO A 26 -1.418 8.524 -7.852 1.00 50.00 H new ATOM 0 HG2 PRO A 26 0.510 8.152 -9.704 1.00 50.00 H new ATOM 0 HG3 PRO A 26 -1.013 8.911 -10.125 1.00 50.00 H new ATOM 0 HD2 PRO A 26 1.662 10.232 -9.568 1.00 50.00 H new ATOM 0 HD3 PRO A 26 0.509 10.591 -10.838 1.00 50.00 H new ATOM 443 N ARG A 27 -0.706 11.382 -5.389 1.00 10.00 N ATOM 444 CA ARG A 27 -0.165 11.823 -4.094 1.00 10.00 C ATOM 445 C ARG A 27 -0.196 10.660 -3.083 1.00 10.00 C ATOM 446 O ARG A 27 -1.273 10.152 -2.750 1.00 50.00 O ATOM 447 CB ARG A 27 -0.989 13.032 -3.574 1.00 50.00 C ATOM 448 CG ARG A 27 -0.480 13.634 -2.245 1.00 50.00 C ATOM 449 CD ARG A 27 -1.305 14.853 -1.780 1.00 50.00 C ATOM 450 NE ARG A 27 -1.296 15.961 -2.762 1.00 50.00 N ATOM 451 CZ ARG A 27 -1.330 17.276 -2.459 1.00 75.00 C ATOM 452 NH1 ARG A 27 -1.368 17.697 -1.187 1.00 75.00 N ATOM 453 NH2 ARG A 27 -1.323 18.171 -3.443 1.00 75.00 N ATOM 0 H ARG A 27 -1.725 11.405 -5.432 1.00 10.00 H new ATOM 0 HA ARG A 27 0.872 12.134 -4.219 1.00 10.00 H new ATOM 0 HB2 ARG A 27 -0.985 13.812 -4.336 1.00 50.00 H new ATOM 0 HB3 ARG A 27 -2.025 12.719 -3.443 1.00 50.00 H new ATOM 0 HG2 ARG A 27 -0.507 12.867 -1.471 1.00 50.00 H new ATOM 0 HG3 ARG A 27 0.562 13.931 -2.363 1.00 50.00 H new ATOM 0 HD2 ARG A 27 -2.334 14.542 -1.600 1.00 50.00 H new ATOM 0 HD3 ARG A 27 -0.910 15.212 -0.830 1.00 50.00 H new ATOM 0 HE ARG A 27 -1.261 15.710 -3.750 1.00 50.00 H new ATOM 0 HH11 ARG A 27 -1.372 17.019 -0.425 1.00 75.00 H new ATOM 0 HH12 ARG A 27 -1.393 18.696 -0.981 1.00 75.00 H new ATOM 0 HH21 ARG A 27 -1.292 17.861 -4.414 1.00 75.00 H new ATOM 0 HH22 ARG A 27 -1.348 19.167 -3.226 1.00 75.00 H new ATOM 467 N TRP A 28 0.997 10.237 -2.622 1.00 10.00 N ATOM 468 CA TRP A 28 1.144 9.165 -1.617 1.00 10.00 C ATOM 469 C TRP A 28 0.616 9.611 -0.239 1.00 10.00 C ATOM 470 O TRP A 28 0.756 10.781 0.148 1.00 50.00 O ATOM 471 CB TRP A 28 2.632 8.696 -1.517 1.00 50.00 C ATOM 472 CG TRP A 28 3.631 9.786 -1.162 1.00 50.00 C ATOM 473 CD1 TRP A 28 4.298 10.599 -2.036 1.00 50.00 C ATOM 474 CD2 TRP A 28 4.091 10.169 0.153 1.00 50.00 C ATOM 475 NE1 TRP A 28 5.124 11.452 -1.357 1.00 50.00 N ATOM 476 CE2 TRP A 28 5.017 11.211 -0.020 1.00 50.00 C ATOM 477 CE3 TRP A 28 3.808 9.737 1.451 1.00 50.00 C ATOM 478 CZ2 TRP A 28 5.662 11.822 1.044 1.00 50.00 C ATOM 479 CZ3 TRP A 28 4.454 10.345 2.511 1.00 50.00 C ATOM 480 CH2 TRP A 28 5.370 11.378 2.303 1.00 50.00 C ATOM 0 H TRP A 28 1.885 10.628 -2.935 1.00 10.00 H new ATOM 0 HA TRP A 28 0.541 8.319 -1.945 1.00 10.00 H new ATOM 0 HB2 TRP A 28 2.698 7.907 -0.768 1.00 50.00 H new ATOM 0 HB3 TRP A 28 2.922 8.256 -2.471 1.00 50.00 H new ATOM 0 HD1 TRP A 28 4.188 10.572 -3.110 1.00 50.00 H new ATOM 0 HE1 TRP A 28 5.725 12.157 -1.784 1.00 50.00 H new ATOM 0 HE3 TRP A 28 3.097 8.942 1.623 1.00 50.00 H new ATOM 0 HZ2 TRP A 28 6.371 12.621 0.884 1.00 50.00 H new ATOM 0 HZ3 TRP A 28 4.246 10.015 3.518 1.00 50.00 H new ATOM 0 HH2 TRP A 28 5.857 11.834 3.152 1.00 50.00 H new ATOM 491 N LYS A 29 -0.009 8.666 0.478 1.00 10.00 N ATOM 492 CA LYS A 29 -0.440 8.841 1.881 1.00 10.00 C ATOM 493 C LYS A 29 0.230 7.770 2.739 1.00 10.00 C ATOM 494 O LYS A 29 0.430 6.654 2.265 1.00 50.00 O ATOM 495 CB LYS A 29 -1.980 8.725 2.014 1.00 50.00 C ATOM 496 CG LYS A 29 -2.774 9.827 1.285 1.00 50.00 C ATOM 497 CD LYS A 29 -4.302 9.775 1.556 1.00 50.00 C ATOM 498 CE LYS A 29 -5.037 8.621 0.840 1.00 50.00 C ATOM 499 NZ LYS A 29 -4.641 7.253 1.301 1.00 75.00 N ATOM 0 H LYS A 29 -0.234 7.746 0.099 1.00 10.00 H new ATOM 0 HA LYS A 29 -0.147 9.836 2.216 1.00 10.00 H new ATOM 0 HB2 LYS A 29 -2.292 7.755 1.628 1.00 50.00 H new ATOM 0 HB3 LYS A 29 -2.242 8.746 3.072 1.00 50.00 H new ATOM 0 HG2 LYS A 29 -2.392 10.801 1.591 1.00 50.00 H new ATOM 0 HG3 LYS A 29 -2.600 9.739 0.212 1.00 50.00 H new ATOM 0 HD2 LYS A 29 -4.465 9.683 2.630 1.00 50.00 H new ATOM 0 HD3 LYS A 29 -4.746 10.721 1.246 1.00 50.00 H new ATOM 0 HE2 LYS A 29 -6.110 8.744 0.987 1.00 50.00 H new ATOM 0 HE3 LYS A 29 -4.851 8.698 -0.231 1.00 50.00 H new ATOM 0 HZ1 LYS A 29 -5.448 6.605 1.197 1.00 75.00 H new ATOM 0 HZ2 LYS A 29 -3.845 6.910 0.727 1.00 75.00 H new ATOM 0 HZ3 LYS A 29 -4.355 7.293 2.300 1.00 75.00 H new ATOM 513 N GLY A 30 0.554 8.101 3.997 1.00 10.00 N ATOM 514 CA GLY A 30 1.191 7.145 4.897 1.00 10.00 C ATOM 515 C GLY A 30 1.014 7.510 6.375 1.00 10.00 C ATOM 516 O GLY A 30 0.460 8.568 6.682 1.00 50.00 O ATOM 0 H GLY A 30 0.384 9.019 4.407 1.00 10.00 H new ATOM 0 HA2 GLY A 30 0.774 6.153 4.720 1.00 10.00 H new ATOM 0 HA3 GLY A 30 2.255 7.089 4.666 1.00 10.00 H new ATOM 520 N PRO A 31 1.483 6.644 7.329 1.00 10.00 N ATOM 521 CA PRO A 31 2.103 5.327 7.034 1.00 10.00 C ATOM 522 C PRO A 31 1.070 4.153 7.000 1.00 10.00 C ATOM 523 O PRO A 31 0.285 3.962 7.935 1.00 50.00 O ATOM 524 CB PRO A 31 3.094 5.186 8.212 1.00 50.00 C ATOM 525 CG PRO A 31 2.412 5.865 9.377 1.00 50.00 C ATOM 526 CD PRO A 31 1.482 6.924 8.792 1.00 50.00 C ATOM 0 HA PRO A 31 2.562 5.280 6.047 1.00 10.00 H new ATOM 0 HB2 PRO A 31 3.301 4.138 8.431 1.00 50.00 H new ATOM 0 HB3 PRO A 31 4.049 5.658 7.983 1.00 50.00 H new ATOM 0 HG2 PRO A 31 1.850 5.143 9.970 1.00 50.00 H new ATOM 0 HG3 PRO A 31 3.146 6.321 10.042 1.00 50.00 H new ATOM 0 HD2 PRO A 31 0.479 6.848 9.211 1.00 50.00 H new ATOM 0 HD3 PRO A 31 1.841 7.931 9.005 1.00 50.00 H new ATOM 534 N TYR A 32 1.075 3.393 5.896 1.00 10.00 N ATOM 535 CA TYR A 32 0.279 2.149 5.746 1.00 10.00 C ATOM 536 C TYR A 32 1.196 0.937 5.913 1.00 10.00 C ATOM 537 O TYR A 32 2.413 1.087 5.840 1.00 50.00 O ATOM 538 CB TYR A 32 -0.414 2.126 4.361 1.00 50.00 C ATOM 539 CG TYR A 32 -1.550 3.139 4.221 1.00 50.00 C ATOM 540 CD1 TYR A 32 -1.301 4.468 3.882 1.00 50.00 C ATOM 541 CD2 TYR A 32 -2.884 2.760 4.422 1.00 50.00 C ATOM 542 CE1 TYR A 32 -2.328 5.378 3.753 1.00 50.00 C ATOM 543 CE2 TYR A 32 -3.914 3.670 4.291 1.00 50.00 C ATOM 544 CZ TYR A 32 -3.631 4.977 3.955 1.00 50.00 C ATOM 545 OH TYR A 32 -4.649 5.893 3.819 1.00 50.00 O ATOM 0 H TYR A 32 1.632 3.619 5.072 1.00 10.00 H new ATOM 0 HA TYR A 32 -0.494 2.115 6.514 1.00 10.00 H new ATOM 0 HB2 TYR A 32 0.331 2.321 3.589 1.00 50.00 H new ATOM 0 HB3 TYR A 32 -0.807 1.126 4.179 1.00 50.00 H new ATOM 0 HD1 TYR A 32 -0.284 4.791 3.717 1.00 50.00 H new ATOM 0 HD2 TYR A 32 -3.111 1.737 4.684 1.00 50.00 H new ATOM 0 HE1 TYR A 32 -2.112 6.404 3.494 1.00 50.00 H new ATOM 0 HE2 TYR A 32 -4.936 3.360 4.451 1.00 50.00 H new ATOM 0 HH TYR A 32 -5.508 5.455 3.993 1.00 50.00 H new ATOM 555 N THR A 33 0.614 -0.258 6.153 1.00 10.00 N ATOM 556 CA THR A 33 1.392 -1.495 6.398 1.00 10.00 C ATOM 557 C THR A 33 0.665 -2.737 5.820 1.00 10.00 C ATOM 558 O THR A 33 -0.419 -3.092 6.282 1.00 50.00 O ATOM 559 CB THR A 33 1.659 -1.695 7.939 1.00 50.00 C ATOM 560 OG1 THR A 33 0.437 -1.560 8.684 1.00 50.00 O ATOM 561 CG2 THR A 33 2.707 -0.702 8.498 1.00 50.00 C ATOM 0 H THR A 33 -0.397 -0.394 6.183 1.00 10.00 H new ATOM 0 HA THR A 33 2.349 -1.387 5.888 1.00 10.00 H new ATOM 0 HB THR A 33 2.059 -2.702 8.054 1.00 50.00 H new ATOM 0 HG1 THR A 33 -0.264 -2.102 8.264 1.00 50.00 H new ATOM 0 HG21 THR A 33 2.851 -0.886 9.563 1.00 50.00 H new ATOM 0 HG22 THR A 33 3.653 -0.839 7.975 1.00 50.00 H new ATOM 0 HG23 THR A 33 2.356 0.319 8.350 1.00 50.00 H new ATOM 569 N VAL A 34 1.273 -3.369 4.792 1.00 10.00 N ATOM 570 CA VAL A 34 0.758 -4.605 4.165 1.00 10.00 C ATOM 571 C VAL A 34 0.853 -5.796 5.143 1.00 10.00 C ATOM 572 O VAL A 34 1.898 -6.009 5.776 1.00 50.00 O ATOM 573 CB VAL A 34 1.538 -4.975 2.842 1.00 50.00 C ATOM 574 CG1 VAL A 34 0.879 -6.165 2.109 1.00 50.00 C ATOM 575 CG2 VAL A 34 1.676 -3.767 1.897 1.00 50.00 C ATOM 0 H VAL A 34 2.140 -3.033 4.372 1.00 10.00 H new ATOM 0 HA VAL A 34 -0.284 -4.409 3.911 1.00 10.00 H new ATOM 0 HB VAL A 34 2.541 -5.275 3.145 1.00 50.00 H new ATOM 0 HG11 VAL A 34 1.442 -6.392 1.204 1.00 50.00 H new ATOM 0 HG12 VAL A 34 0.875 -7.038 2.762 1.00 50.00 H new ATOM 0 HG13 VAL A 34 -0.146 -5.906 1.843 1.00 50.00 H new ATOM 0 HG21 VAL A 34 2.219 -4.067 1.000 1.00 50.00 H new ATOM 0 HG22 VAL A 34 0.685 -3.408 1.619 1.00 50.00 H new ATOM 0 HG23 VAL A 34 2.222 -2.970 2.402 1.00 50.00 H new ATOM 585 N LEU A 35 -0.248 -6.558 5.241 1.00 10.00 N ATOM 586 CA LEU A 35 -0.361 -7.736 6.125 1.00 10.00 C ATOM 587 C LEU A 35 -0.374 -9.031 5.279 1.00 10.00 C ATOM 588 O LEU A 35 0.272 -10.027 5.631 1.00 50.00 O ATOM 589 CB LEU A 35 -1.659 -7.603 6.967 1.00 50.00 C ATOM 590 CG LEU A 35 -1.783 -6.283 7.798 1.00 50.00 C ATOM 591 CD1 LEU A 35 -3.190 -6.129 8.407 1.00 50.00 C ATOM 592 CD2 LEU A 35 -0.683 -6.189 8.881 1.00 50.00 C ATOM 0 H LEU A 35 -1.096 -6.374 4.704 1.00 10.00 H new ATOM 0 HA LEU A 35 0.495 -7.787 6.798 1.00 10.00 H new ATOM 0 HB2 LEU A 35 -2.516 -7.673 6.297 1.00 50.00 H new ATOM 0 HB3 LEU A 35 -1.718 -8.450 7.650 1.00 50.00 H new ATOM 0 HG LEU A 35 -1.634 -5.451 7.110 1.00 50.00 H new ATOM 0 HD11 LEU A 35 -3.240 -5.201 8.977 1.00 50.00 H new ATOM 0 HD12 LEU A 35 -3.931 -6.104 7.608 1.00 50.00 H new ATOM 0 HD13 LEU A 35 -3.395 -6.972 9.067 1.00 50.00 H new ATOM 0 HD21 LEU A 35 -0.800 -5.260 9.439 1.00 50.00 H new ATOM 0 HD22 LEU A 35 -0.771 -7.035 9.563 1.00 50.00 H new ATOM 0 HD23 LEU A 35 0.298 -6.206 8.406 1.00 50.00 H new ATOM 604 N LEU A 36 -1.111 -8.990 4.149 1.00 10.00 N ATOM 605 CA LEU A 36 -1.213 -10.120 3.190 1.00 10.00 C ATOM 606 C LEU A 36 -1.069 -9.562 1.766 1.00 10.00 C ATOM 607 O LEU A 36 -1.392 -8.405 1.525 1.00 50.00 O ATOM 608 CB LEU A 36 -2.572 -10.872 3.365 1.00 50.00 C ATOM 609 CG LEU A 36 -2.833 -12.105 2.423 1.00 50.00 C ATOM 610 CD1 LEU A 36 -1.846 -13.260 2.704 1.00 50.00 C ATOM 611 CD2 LEU A 36 -4.301 -12.587 2.519 1.00 50.00 C ATOM 0 H LEU A 36 -1.655 -8.173 3.872 1.00 10.00 H new ATOM 0 HA LEU A 36 -0.419 -10.842 3.380 1.00 10.00 H new ATOM 0 HB2 LEU A 36 -2.639 -11.215 4.398 1.00 50.00 H new ATOM 0 HB3 LEU A 36 -3.378 -10.154 3.214 1.00 50.00 H new ATOM 0 HG LEU A 36 -2.659 -11.771 1.400 1.00 50.00 H new ATOM 0 HD11 LEU A 36 -2.059 -14.092 2.033 1.00 50.00 H new ATOM 0 HD12 LEU A 36 -0.825 -12.914 2.540 1.00 50.00 H new ATOM 0 HD13 LEU A 36 -1.956 -13.589 3.737 1.00 50.00 H new ATOM 0 HD21 LEU A 36 -4.448 -13.440 1.856 1.00 50.00 H new ATOM 0 HD22 LEU A 36 -4.520 -12.883 3.545 1.00 50.00 H new ATOM 0 HD23 LEU A 36 -4.970 -11.778 2.224 1.00 50.00 H new ATOM 623 N THR A 37 -0.552 -10.365 0.822 1.00 10.00 N ATOM 624 CA THR A 37 -0.383 -9.937 -0.585 1.00 10.00 C ATOM 625 C THR A 37 -1.094 -10.902 -1.544 1.00 10.00 C ATOM 626 O THR A 37 -1.295 -12.085 -1.232 1.00 50.00 O ATOM 627 CB THR A 37 1.127 -9.838 -0.966 1.00 50.00 C ATOM 628 OG1 THR A 37 1.766 -11.097 -0.750 1.00 50.00 O ATOM 629 CG2 THR A 37 1.855 -8.765 -0.155 1.00 50.00 C ATOM 0 H THR A 37 -0.241 -11.319 1.004 1.00 10.00 H new ATOM 0 HA THR A 37 -0.834 -8.949 -0.679 1.00 10.00 H new ATOM 0 HB THR A 37 1.177 -9.561 -2.019 1.00 50.00 H new ATOM 0 HG1 THR A 37 2.734 -10.997 -0.869 1.00 50.00 H new ATOM 0 HG21 THR A 37 2.903 -8.732 -0.454 1.00 50.00 H new ATOM 0 HG22 THR A 37 1.394 -7.795 -0.339 1.00 50.00 H new ATOM 0 HG23 THR A 37 1.788 -9.003 0.907 1.00 50.00 H new ATOM 637 N THR A 38 -1.487 -10.363 -2.702 1.00 10.00 N ATOM 638 CA THR A 38 -2.031 -11.112 -3.847 1.00 10.00 C ATOM 639 C THR A 38 -1.349 -10.527 -5.124 1.00 10.00 C ATOM 640 O THR A 38 -0.961 -9.355 -5.090 1.00 50.00 O ATOM 641 CB THR A 38 -3.602 -10.947 -3.862 1.00 50.00 C ATOM 642 OG1 THR A 38 -4.146 -11.413 -2.608 1.00 50.00 O ATOM 643 CG2 THR A 38 -4.306 -11.691 -5.007 1.00 50.00 C ATOM 0 H THR A 38 -1.435 -9.360 -2.878 1.00 10.00 H new ATOM 0 HA THR A 38 -1.827 -12.181 -3.793 1.00 10.00 H new ATOM 0 HB THR A 38 -3.788 -9.884 -4.017 1.00 50.00 H new ATOM 0 HG1 THR A 38 -5.099 -11.613 -2.719 1.00 50.00 H new ATOM 0 HG21 THR A 38 -5.381 -11.524 -4.942 1.00 50.00 H new ATOM 0 HG22 THR A 38 -3.938 -11.319 -5.963 1.00 50.00 H new ATOM 0 HG23 THR A 38 -4.099 -12.758 -4.929 1.00 50.00 H new ATOM 651 N PRO A 39 -1.086 -11.332 -6.222 1.00 10.00 N ATOM 652 CA PRO A 39 -0.504 -10.813 -7.502 1.00 10.00 C ATOM 653 C PRO A 39 -1.077 -9.442 -7.960 1.00 10.00 C ATOM 654 O PRO A 39 -2.264 -9.333 -8.290 1.00 50.00 O ATOM 655 CB PRO A 39 -0.861 -11.936 -8.501 1.00 50.00 C ATOM 656 CG PRO A 39 -0.753 -13.192 -7.685 1.00 50.00 C ATOM 657 CD PRO A 39 -1.255 -12.817 -6.295 1.00 50.00 C ATOM 0 HA PRO A 39 0.562 -10.606 -7.408 1.00 10.00 H new ATOM 0 HB2 PRO A 39 -1.865 -11.807 -8.905 1.00 50.00 H new ATOM 0 HB3 PRO A 39 -0.176 -11.950 -9.348 1.00 50.00 H new ATOM 0 HG2 PRO A 39 -1.353 -13.993 -8.116 1.00 50.00 H new ATOM 0 HG3 PRO A 39 0.276 -13.549 -7.648 1.00 50.00 H new ATOM 0 HD2 PRO A 39 -2.297 -13.105 -6.159 1.00 50.00 H new ATOM 0 HD3 PRO A 39 -0.681 -13.320 -5.517 1.00 50.00 H new ATOM 665 N THR A 40 -0.212 -8.401 -7.864 1.00 10.00 N ATOM 666 CA THR A 40 -0.464 -7.028 -8.363 1.00 10.00 C ATOM 667 C THR A 40 -1.587 -6.286 -7.564 1.00 10.00 C ATOM 668 O THR A 40 -2.113 -5.256 -8.014 1.00 50.00 O ATOM 669 CB THR A 40 -0.741 -7.027 -9.922 1.00 50.00 C ATOM 670 OG1 THR A 40 0.096 -8.023 -10.563 1.00 50.00 O ATOM 671 CG2 THR A 40 -0.447 -5.659 -10.581 1.00 50.00 C ATOM 0 H THR A 40 0.704 -8.497 -7.426 1.00 10.00 H new ATOM 0 HA THR A 40 0.448 -6.458 -8.189 1.00 10.00 H new ATOM 0 HB THR A 40 -1.800 -7.249 -10.053 1.00 50.00 H new ATOM 0 HG1 THR A 40 -0.077 -8.024 -11.528 1.00 50.00 H new ATOM 0 HG21 THR A 40 -0.655 -5.718 -11.649 1.00 50.00 H new ATOM 0 HG22 THR A 40 -1.079 -4.894 -10.130 1.00 50.00 H new ATOM 0 HG23 THR A 40 0.601 -5.399 -10.429 1.00 50.00 H new ATOM 679 N ALA A 41 -1.912 -6.795 -6.356 1.00 10.00 N ATOM 680 CA ALA A 41 -2.867 -6.147 -5.428 1.00 10.00 C ATOM 681 C ALA A 41 -2.588 -6.604 -3.983 1.00 10.00 C ATOM 682 O ALA A 41 -2.646 -7.800 -3.678 1.00 50.00 O ATOM 683 CB ALA A 41 -4.324 -6.457 -5.835 1.00 50.00 C ATOM 0 H ALA A 41 -1.521 -7.666 -5.996 1.00 10.00 H new ATOM 0 HA ALA A 41 -2.731 -5.067 -5.483 1.00 10.00 H new ATOM 0 HB1 ALA A 41 -5.008 -5.971 -5.139 1.00 50.00 H new ATOM 0 HB2 ALA A 41 -4.507 -6.085 -6.843 1.00 50.00 H new ATOM 0 HB3 ALA A 41 -4.487 -7.534 -5.811 1.00 50.00 H new ATOM 689 N LEU A 42 -2.304 -5.649 -3.090 1.00 10.00 N ATOM 690 CA LEU A 42 -1.831 -5.941 -1.729 1.00 10.00 C ATOM 691 C LEU A 42 -2.950 -5.686 -0.710 1.00 10.00 C ATOM 692 O LEU A 42 -3.618 -4.644 -0.764 1.00 50.00 O ATOM 693 CB LEU A 42 -0.590 -5.055 -1.406 1.00 50.00 C ATOM 694 CG LEU A 42 0.559 -5.049 -2.472 1.00 50.00 C ATOM 695 CD1 LEU A 42 1.779 -4.261 -1.971 1.00 50.00 C ATOM 696 CD2 LEU A 42 0.957 -6.472 -2.910 1.00 50.00 C ATOM 0 H LEU A 42 -2.395 -4.653 -3.289 1.00 10.00 H new ATOM 0 HA LEU A 42 -1.545 -6.991 -1.668 1.00 10.00 H new ATOM 0 HB2 LEU A 42 -0.930 -4.029 -1.265 1.00 50.00 H new ATOM 0 HB3 LEU A 42 -0.172 -5.386 -0.455 1.00 50.00 H new ATOM 0 HG LEU A 42 0.169 -4.543 -3.355 1.00 50.00 H new ATOM 0 HD11 LEU A 42 2.559 -4.275 -2.732 1.00 50.00 H new ATOM 0 HD12 LEU A 42 1.488 -3.230 -1.768 1.00 50.00 H new ATOM 0 HD13 LEU A 42 2.157 -4.718 -1.056 1.00 50.00 H new ATOM 0 HD21 LEU A 42 1.756 -6.415 -3.649 1.00 50.00 H new ATOM 0 HD22 LEU A 42 1.303 -7.036 -2.044 1.00 50.00 H new ATOM 0 HD23 LEU A 42 0.093 -6.973 -3.347 1.00 50.00 H new ATOM 708 N LYS A 43 -3.143 -6.632 0.224 1.00 10.00 N ATOM 709 CA LYS A 43 -4.073 -6.462 1.345 1.00 10.00 C ATOM 710 C LYS A 43 -3.322 -5.728 2.473 1.00 10.00 C ATOM 711 O LYS A 43 -2.448 -6.301 3.153 1.00 50.00 O ATOM 712 CB LYS A 43 -4.591 -7.839 1.838 1.00 50.00 C ATOM 713 CG LYS A 43 -5.574 -7.765 3.033 1.00 50.00 C ATOM 714 CD LYS A 43 -5.920 -9.154 3.612 1.00 50.00 C ATOM 715 CE LYS A 43 -6.996 -9.092 4.704 1.00 50.00 C ATOM 716 NZ LYS A 43 -8.300 -8.602 4.173 1.00 75.00 N ATOM 0 H LYS A 43 -2.660 -7.530 0.221 1.00 10.00 H new ATOM 0 HA LYS A 43 -4.940 -5.881 1.031 1.00 10.00 H new ATOM 0 HB2 LYS A 43 -5.085 -8.345 1.009 1.00 50.00 H new ATOM 0 HB3 LYS A 43 -3.737 -8.453 2.124 1.00 50.00 H new ATOM 0 HG2 LYS A 43 -5.138 -7.148 3.818 1.00 50.00 H new ATOM 0 HG3 LYS A 43 -6.492 -7.272 2.712 1.00 50.00 H new ATOM 0 HD2 LYS A 43 -6.263 -9.803 2.806 1.00 50.00 H new ATOM 0 HD3 LYS A 43 -5.017 -9.606 4.023 1.00 50.00 H new ATOM 0 HE2 LYS A 43 -7.130 -10.083 5.138 1.00 50.00 H new ATOM 0 HE3 LYS A 43 -6.661 -8.435 5.507 1.00 50.00 H new ATOM 0 HZ1 LYS A 43 -9.043 -8.749 4.886 1.00 75.00 H new ATOM 0 HZ2 LYS A 43 -8.227 -7.588 3.954 1.00 75.00 H new ATOM 0 HZ3 LYS A 43 -8.542 -9.127 3.308 1.00 75.00 H new ATOM 730 N VAL A 44 -3.694 -4.455 2.650 1.00 10.00 N ATOM 731 CA VAL A 44 -3.026 -3.507 3.551 1.00 10.00 C ATOM 732 C VAL A 44 -3.945 -3.209 4.758 1.00 10.00 C ATOM 733 O VAL A 44 -5.171 -3.354 4.661 1.00 50.00 O ATOM 734 CB VAL A 44 -2.683 -2.174 2.771 1.00 50.00 C ATOM 735 CG1 VAL A 44 -1.895 -1.170 3.639 1.00 50.00 C ATOM 736 CG2 VAL A 44 -1.931 -2.464 1.447 1.00 50.00 C ATOM 0 H VAL A 44 -4.488 -4.045 2.158 1.00 10.00 H new ATOM 0 HA VAL A 44 -2.096 -3.943 3.915 1.00 10.00 H new ATOM 0 HB VAL A 44 -3.638 -1.709 2.524 1.00 50.00 H new ATOM 0 HG11 VAL A 44 -1.685 -0.273 3.057 1.00 50.00 H new ATOM 0 HG12 VAL A 44 -2.486 -0.904 4.515 1.00 50.00 H new ATOM 0 HG13 VAL A 44 -0.957 -1.623 3.959 1.00 50.00 H new ATOM 0 HG21 VAL A 44 -1.713 -1.525 0.939 1.00 50.00 H new ATOM 0 HG22 VAL A 44 -0.998 -2.984 1.665 1.00 50.00 H new ATOM 0 HG23 VAL A 44 -2.553 -3.088 0.805 1.00 50.00 H new ATOM 746 N ASP A 45 -3.332 -2.818 5.886 1.00 10.00 N ATOM 747 CA ASP A 45 -4.041 -2.375 7.096 1.00 10.00 C ATOM 748 C ASP A 45 -4.905 -1.128 6.800 1.00 10.00 C ATOM 749 O ASP A 45 -4.430 -0.171 6.171 1.00 50.00 O ATOM 750 CB ASP A 45 -2.999 -2.081 8.212 1.00 50.00 C ATOM 751 CG ASP A 45 -3.601 -1.497 9.504 1.00 50.00 C ATOM 752 OD1 ASP A 45 -4.403 -2.197 10.160 1.00 50.00 O ATOM 753 OD2 ASP A 45 -3.265 -0.343 9.873 1.00 50.00 O ATOM 0 H ASP A 45 -2.317 -2.800 5.984 1.00 10.00 H new ATOM 0 HA ASP A 45 -4.714 -3.163 7.432 1.00 10.00 H new ATOM 0 HB2 ASP A 45 -2.474 -3.005 8.455 1.00 50.00 H new ATOM 0 HB3 ASP A 45 -2.256 -1.384 7.824 1.00 50.00 H new ATOM 758 N GLY A 46 -6.187 -1.182 7.212 1.00 10.00 N ATOM 759 CA GLY A 46 -7.126 -0.065 7.043 1.00 10.00 C ATOM 760 C GLY A 46 -7.865 -0.078 5.705 1.00 10.00 C ATOM 761 O GLY A 46 -8.785 0.722 5.501 1.00 50.00 O ATOM 0 H GLY A 46 -6.595 -1.998 7.668 1.00 10.00 H new ATOM 0 HA2 GLY A 46 -7.857 -0.091 7.851 1.00 10.00 H new ATOM 0 HA3 GLY A 46 -6.580 0.874 7.137 1.00 10.00 H new ATOM 765 N ILE A 47 -7.462 -0.982 4.794 1.00 10.00 N ATOM 766 CA ILE A 47 -8.039 -1.106 3.439 1.00 10.00 C ATOM 767 C ILE A 47 -9.200 -2.128 3.435 1.00 10.00 C ATOM 768 O ILE A 47 -9.215 -3.058 4.255 1.00 50.00 O ATOM 769 CB ILE A 47 -6.895 -1.504 2.417 1.00 50.00 C ATOM 770 CG1 ILE A 47 -5.823 -0.363 2.343 1.00 50.00 C ATOM 771 CG2 ILE A 47 -7.426 -1.885 1.011 1.00 50.00 C ATOM 772 CD1 ILE A 47 -6.348 1.014 1.958 1.00 50.00 C ATOM 0 H ILE A 47 -6.718 -1.655 4.978 1.00 10.00 H new ATOM 0 HA ILE A 47 -8.457 -0.149 3.128 1.00 10.00 H new ATOM 0 HB ILE A 47 -6.425 -2.410 2.799 1.00 50.00 H new ATOM 0 HG12 ILE A 47 -5.334 -0.286 3.314 1.00 50.00 H new ATOM 0 HG13 ILE A 47 -5.059 -0.654 1.623 1.00 50.00 H new ATOM 0 HG21 ILE A 47 -6.588 -2.146 0.364 1.00 50.00 H new ATOM 0 HG22 ILE A 47 -8.099 -2.738 1.095 1.00 50.00 H new ATOM 0 HG23 ILE A 47 -7.964 -1.039 0.584 1.00 50.00 H new ATOM 0 HD11 ILE A 47 -5.522 1.725 1.937 1.00 50.00 H new ATOM 0 HD12 ILE A 47 -6.809 0.965 0.972 1.00 50.00 H new ATOM 0 HD13 ILE A 47 -7.088 1.339 2.689 1.00 50.00 H new ATOM 784 N ALA A 48 -10.168 -1.922 2.509 1.00 10.00 N ATOM 785 CA ALA A 48 -11.388 -2.743 2.388 1.00 10.00 C ATOM 786 C ALA A 48 -11.054 -4.211 2.061 1.00 10.00 C ATOM 787 O ALA A 48 -11.546 -5.131 2.733 1.00 50.00 O ATOM 788 CB ALA A 48 -12.340 -2.139 1.335 1.00 50.00 C ATOM 0 H ALA A 48 -10.119 -1.172 1.820 1.00 10.00 H new ATOM 0 HA ALA A 48 -11.894 -2.737 3.353 1.00 10.00 H new ATOM 0 HB1 ALA A 48 -13.235 -2.756 1.257 1.00 50.00 H new ATOM 0 HB2 ALA A 48 -12.620 -1.129 1.635 1.00 50.00 H new ATOM 0 HB3 ALA A 48 -11.838 -2.105 0.368 1.00 50.00 H new ATOM 794 N ALA A 49 -10.207 -4.426 1.031 1.00 10.00 N ATOM 795 CA ALA A 49 -9.717 -5.773 0.677 1.00 10.00 C ATOM 796 C ALA A 49 -8.321 -5.728 0.025 1.00 10.00 C ATOM 797 O ALA A 49 -7.380 -6.351 0.528 1.00 50.00 O ATOM 798 CB ALA A 49 -10.732 -6.477 -0.245 1.00 50.00 C ATOM 0 H ALA A 49 -9.849 -3.683 0.431 1.00 10.00 H new ATOM 0 HA ALA A 49 -9.617 -6.345 1.599 1.00 10.00 H new ATOM 0 HB1 ALA A 49 -10.363 -7.470 -0.501 1.00 50.00 H new ATOM 0 HB2 ALA A 49 -11.689 -6.567 0.269 1.00 50.00 H new ATOM 0 HB3 ALA A 49 -10.863 -5.892 -1.156 1.00 50.00 H new ATOM 804 N TRP A 50 -8.183 -4.983 -1.096 1.00 10.00 N ATOM 805 CA TRP A 50 -6.906 -4.887 -1.854 1.00 10.00 C ATOM 806 C TRP A 50 -6.688 -3.473 -2.423 1.00 10.00 C ATOM 807 O TRP A 50 -7.647 -2.741 -2.691 1.00 50.00 O ATOM 808 CB TRP A 50 -6.852 -5.912 -3.029 1.00 50.00 C ATOM 809 CG TRP A 50 -6.832 -7.370 -2.612 1.00 50.00 C ATOM 810 CD1 TRP A 50 -5.757 -8.078 -2.144 1.00 50.00 C ATOM 811 CD2 TRP A 50 -7.929 -8.298 -2.660 1.00 50.00 C ATOM 812 NE1 TRP A 50 -6.128 -9.372 -1.879 1.00 50.00 N ATOM 813 CE2 TRP A 50 -7.451 -9.533 -2.188 1.00 50.00 C ATOM 814 CE3 TRP A 50 -9.269 -8.202 -3.050 1.00 50.00 C ATOM 815 CZ2 TRP A 50 -8.260 -10.661 -2.097 1.00 50.00 C ATOM 816 CZ3 TRP A 50 -10.075 -9.320 -2.956 1.00 50.00 C ATOM 817 CH2 TRP A 50 -9.569 -10.535 -2.484 1.00 50.00 C ATOM 0 H TRP A 50 -8.943 -4.435 -1.500 1.00 10.00 H new ATOM 0 HA TRP A 50 -6.114 -5.116 -1.141 1.00 10.00 H new ATOM 0 HB2 TRP A 50 -7.715 -5.747 -3.674 1.00 50.00 H new ATOM 0 HB3 TRP A 50 -5.963 -5.709 -3.627 1.00 50.00 H new ATOM 0 HD1 TRP A 50 -4.764 -7.677 -2.004 1.00 50.00 H new ATOM 0 HE1 TRP A 50 -5.515 -10.099 -1.510 1.00 50.00 H new ATOM 0 HE3 TRP A 50 -9.667 -7.268 -3.419 1.00 50.00 H new ATOM 0 HZ2 TRP A 50 -7.871 -11.601 -1.735 1.00 50.00 H new ATOM 0 HZ3 TRP A 50 -11.112 -9.255 -3.252 1.00 50.00 H new ATOM 0 HH2 TRP A 50 -10.223 -11.392 -2.423 1.00 50.00 H new ATOM 828 N ILE A 51 -5.407 -3.120 -2.614 1.00 10.00 N ATOM 829 CA ILE A 51 -4.967 -1.932 -3.370 1.00 10.00 C ATOM 830 C ILE A 51 -4.026 -2.409 -4.491 1.00 10.00 C ATOM 831 O ILE A 51 -2.990 -3.023 -4.206 1.00 50.00 O ATOM 832 CB ILE A 51 -4.227 -0.873 -2.446 1.00 50.00 C ATOM 833 CG1 ILE A 51 -5.205 -0.235 -1.413 1.00 50.00 C ATOM 834 CG2 ILE A 51 -3.513 0.227 -3.272 1.00 50.00 C ATOM 835 CD1 ILE A 51 -6.360 0.552 -2.011 1.00 50.00 C ATOM 0 H ILE A 51 -4.629 -3.663 -2.240 1.00 10.00 H new ATOM 0 HA ILE A 51 -5.842 -1.428 -3.781 1.00 10.00 H new ATOM 0 HB ILE A 51 -3.460 -1.421 -1.898 1.00 50.00 H new ATOM 0 HG12 ILE A 51 -5.613 -1.028 -0.786 1.00 50.00 H new ATOM 0 HG13 ILE A 51 -4.636 0.426 -0.760 1.00 50.00 H new ATOM 0 HG21 ILE A 51 -3.022 0.928 -2.597 1.00 50.00 H new ATOM 0 HG22 ILE A 51 -2.769 -0.232 -3.923 1.00 50.00 H new ATOM 0 HG23 ILE A 51 -4.246 0.760 -3.878 1.00 50.00 H new ATOM 0 HD11 ILE A 51 -6.980 0.954 -1.210 1.00 50.00 H new ATOM 0 HD12 ILE A 51 -5.968 1.372 -2.613 1.00 50.00 H new ATOM 0 HD13 ILE A 51 -6.961 -0.105 -2.640 1.00 50.00 H new ATOM 847 N HIS A 52 -4.399 -2.129 -5.753 1.00 10.00 N ATOM 848 CA HIS A 52 -3.596 -2.497 -6.934 1.00 10.00 C ATOM 849 C HIS A 52 -2.214 -1.795 -6.859 1.00 10.00 C ATOM 850 O HIS A 52 -2.144 -0.623 -6.476 1.00 50.00 O ATOM 851 CB HIS A 52 -4.359 -2.120 -8.230 1.00 50.00 C ATOM 852 CG HIS A 52 -3.765 -2.655 -9.507 1.00 50.00 C ATOM 853 ND1 HIS A 52 -2.706 -2.064 -10.156 1.00 50.00 N ATOM 854 CD2 HIS A 52 -4.110 -3.725 -10.265 1.00 50.00 C ATOM 855 CE1 HIS A 52 -2.435 -2.740 -11.251 1.00 50.00 C ATOM 856 NE2 HIS A 52 -3.272 -3.749 -11.339 1.00 50.00 N ATOM 0 H HIS A 52 -5.265 -1.642 -5.983 1.00 10.00 H new ATOM 0 HA HIS A 52 -3.430 -3.574 -6.949 1.00 10.00 H new ATOM 0 HB2 HIS A 52 -5.384 -2.481 -8.146 1.00 50.00 H new ATOM 0 HB3 HIS A 52 -4.409 -1.033 -8.299 1.00 50.00 H new ATOM 0 HD2 HIS A 52 -4.903 -4.428 -10.056 1.00 50.00 H new ATOM 0 HE1 HIS A 52 -1.655 -2.505 -11.960 1.00 50.00 H new ATOM 0 HE2 HIS A 52 -3.291 -4.439 -12.090 1.00 50.00 H new ATOM 865 N ALA A 53 -1.155 -2.520 -7.276 1.00 10.00 N ATOM 866 CA ALA A 53 0.265 -2.214 -6.961 1.00 10.00 C ATOM 867 C ALA A 53 0.741 -0.782 -7.333 1.00 10.00 C ATOM 868 O ALA A 53 1.641 -0.259 -6.677 1.00 50.00 O ATOM 869 CB ALA A 53 1.178 -3.280 -7.602 1.00 50.00 C ATOM 0 H ALA A 53 -1.261 -3.354 -7.854 1.00 10.00 H new ATOM 0 HA ALA A 53 0.337 -2.245 -5.874 1.00 10.00 H new ATOM 0 HB1 ALA A 53 2.219 -3.054 -7.370 1.00 50.00 H new ATOM 0 HB2 ALA A 53 0.923 -4.263 -7.206 1.00 50.00 H new ATOM 0 HB3 ALA A 53 1.038 -3.277 -8.683 1.00 50.00 H new ATOM 875 N ALA A 54 0.139 -0.166 -8.367 1.00 10.00 N ATOM 876 CA ALA A 54 0.510 1.201 -8.825 1.00 10.00 C ATOM 877 C ALA A 54 0.159 2.283 -7.779 1.00 10.00 C ATOM 878 O ALA A 54 0.788 3.345 -7.725 1.00 50.00 O ATOM 879 CB ALA A 54 -0.171 1.507 -10.167 1.00 50.00 C ATOM 0 H ALA A 54 -0.613 -0.591 -8.910 1.00 10.00 H new ATOM 0 HA ALA A 54 1.592 1.223 -8.955 1.00 10.00 H new ATOM 0 HB1 ALA A 54 0.106 2.509 -10.495 1.00 50.00 H new ATOM 0 HB2 ALA A 54 0.150 0.779 -10.912 1.00 50.00 H new ATOM 0 HB3 ALA A 54 -1.253 1.450 -10.047 1.00 50.00 H new ATOM 885 N HIS A 55 -0.860 1.984 -6.957 1.00 10.00 N ATOM 886 CA HIS A 55 -1.313 2.852 -5.852 1.00 10.00 C ATOM 887 C HIS A 55 -0.683 2.406 -4.516 1.00 10.00 C ATOM 888 O HIS A 55 -1.217 2.685 -3.442 1.00 50.00 O ATOM 889 CB HIS A 55 -2.861 2.828 -5.764 1.00 50.00 C ATOM 890 CG HIS A 55 -3.567 3.293 -7.010 1.00 50.00 C ATOM 891 ND1 HIS A 55 -3.726 4.620 -7.331 1.00 50.00 N ATOM 892 CD2 HIS A 55 -4.176 2.600 -8.003 1.00 50.00 C ATOM 893 CE1 HIS A 55 -4.406 4.721 -8.452 1.00 50.00 C ATOM 894 NE2 HIS A 55 -4.692 3.513 -8.882 1.00 50.00 N ATOM 0 H HIS A 55 -1.400 1.123 -7.040 1.00 10.00 H new ATOM 0 HA HIS A 55 -0.989 3.873 -6.051 1.00 10.00 H new ATOM 0 HB2 HIS A 55 -3.183 1.812 -5.538 1.00 50.00 H new ATOM 0 HB3 HIS A 55 -3.174 3.455 -4.929 1.00 50.00 H new ATOM 0 HD1 HIS A 55 -3.371 5.405 -6.784 1.00 50.00 H new ATOM 0 HD2 HIS A 55 -4.242 1.525 -8.085 1.00 50.00 H new ATOM 0 HE1 HIS A 55 -4.683 5.644 -8.939 1.00 50.00 H new ATOM 903 N VAL A 56 0.467 1.721 -4.596 1.00 10.00 N ATOM 904 CA VAL A 56 1.279 1.328 -3.430 1.00 10.00 C ATOM 905 C VAL A 56 2.707 1.897 -3.610 1.00 10.00 C ATOM 906 O VAL A 56 3.148 2.104 -4.747 1.00 50.00 O ATOM 907 CB VAL A 56 1.346 -0.244 -3.267 1.00 50.00 C ATOM 908 CG1 VAL A 56 2.186 -0.656 -2.041 1.00 50.00 C ATOM 909 CG2 VAL A 56 -0.064 -0.878 -3.191 1.00 50.00 C ATOM 0 H VAL A 56 0.867 1.419 -5.484 1.00 10.00 H new ATOM 0 HA VAL A 56 0.815 1.731 -2.530 1.00 10.00 H new ATOM 0 HB VAL A 56 1.839 -0.626 -4.161 1.00 50.00 H new ATOM 0 HG11 VAL A 56 2.208 -1.743 -1.964 1.00 50.00 H new ATOM 0 HG12 VAL A 56 3.203 -0.280 -2.154 1.00 50.00 H new ATOM 0 HG13 VAL A 56 1.742 -0.237 -1.138 1.00 50.00 H new ATOM 0 HG21 VAL A 56 0.028 -1.958 -3.079 1.00 50.00 H new ATOM 0 HG22 VAL A 56 -0.601 -0.469 -2.335 1.00 50.00 H new ATOM 0 HG23 VAL A 56 -0.614 -0.653 -4.105 1.00 50.00 H new ATOM 919 N LYS A 57 3.415 2.166 -2.493 1.00 10.00 N ATOM 920 CA LYS A 57 4.825 2.585 -2.520 1.00 10.00 C ATOM 921 C LYS A 57 5.502 2.238 -1.181 1.00 10.00 C ATOM 922 O LYS A 57 5.220 2.866 -0.167 1.00 50.00 O ATOM 923 CB LYS A 57 4.930 4.109 -2.796 1.00 50.00 C ATOM 924 CG LYS A 57 6.370 4.646 -2.733 1.00 50.00 C ATOM 925 CD LYS A 57 6.473 6.157 -2.994 1.00 50.00 C ATOM 926 CE LYS A 57 7.911 6.641 -2.828 1.00 50.00 C ATOM 927 NZ LYS A 57 8.037 8.098 -3.015 1.00 75.00 N ATOM 0 H LYS A 57 3.024 2.098 -1.553 1.00 10.00 H new ATOM 0 HA LYS A 57 5.335 2.052 -3.322 1.00 10.00 H new ATOM 0 HB2 LYS A 57 4.514 4.321 -3.781 1.00 50.00 H new ATOM 0 HB3 LYS A 57 4.319 4.645 -2.070 1.00 50.00 H new ATOM 0 HG2 LYS A 57 6.789 4.426 -1.751 1.00 50.00 H new ATOM 0 HG3 LYS A 57 6.979 4.116 -3.466 1.00 50.00 H new ATOM 0 HD2 LYS A 57 6.124 6.381 -4.002 1.00 50.00 H new ATOM 0 HD3 LYS A 57 5.822 6.695 -2.304 1.00 50.00 H new ATOM 0 HE2 LYS A 57 8.270 6.372 -1.834 1.00 50.00 H new ATOM 0 HE3 LYS A 57 8.550 6.128 -3.547 1.00 50.00 H new ATOM 0 HZ1 LYS A 57 8.529 8.292 -3.911 1.00 75.00 H new ATOM 0 HZ2 LYS A 57 7.090 8.528 -3.039 1.00 75.00 H new ATOM 0 HZ3 LYS A 57 8.581 8.503 -2.227 1.00 75.00 H new ATOM 941 N ALA A 58 6.422 1.260 -1.200 1.00 10.00 N ATOM 942 CA ALA A 58 7.135 0.798 0.009 1.00 10.00 C ATOM 943 C ALA A 58 8.083 1.891 0.555 1.00 10.00 C ATOM 944 O ALA A 58 8.637 2.681 -0.223 1.00 50.00 O ATOM 945 CB ALA A 58 7.904 -0.495 -0.300 1.00 50.00 C ATOM 0 H ALA A 58 6.694 0.766 -2.050 1.00 10.00 H new ATOM 0 HA ALA A 58 6.399 0.591 0.786 1.00 10.00 H new ATOM 0 HB1 ALA A 58 8.427 -0.830 0.596 1.00 50.00 H new ATOM 0 HB2 ALA A 58 7.204 -1.267 -0.621 1.00 50.00 H new ATOM 0 HB3 ALA A 58 8.627 -0.307 -1.094 1.00 50.00 H new ATOM 951 N ALA A 59 8.245 1.918 1.890 1.00 10.00 N ATOM 952 CA ALA A 59 9.029 2.943 2.610 1.00 10.00 C ATOM 953 C ALA A 59 9.283 2.465 4.055 1.00 10.00 C ATOM 954 O ALA A 59 8.345 2.324 4.836 1.00 50.00 O ATOM 955 CB ALA A 59 8.274 4.282 2.613 1.00 50.00 C ATOM 0 H ALA A 59 7.831 1.221 2.509 1.00 10.00 H new ATOM 0 HA ALA A 59 9.985 3.091 2.107 1.00 10.00 H new ATOM 0 HB1 ALA A 59 8.861 5.030 3.146 1.00 50.00 H new ATOM 0 HB2 ALA A 59 8.113 4.611 1.586 1.00 50.00 H new ATOM 0 HB3 ALA A 59 7.311 4.156 3.108 1.00 50.00 H new ATOM 961 N ASP A 60 10.558 2.227 4.387 1.00 10.00 N ATOM 962 CA ASP A 60 10.987 1.691 5.697 1.00 10.00 C ATOM 963 C ASP A 60 10.996 2.821 6.773 1.00 50.00 C ATOM 964 O ASP A 60 11.621 3.869 6.541 1.00 50.00 O ATOM 965 CB ASP A 60 12.415 1.076 5.518 1.00 50.00 C ATOM 966 CG ASP A 60 12.949 0.217 6.685 1.00 50.00 C ATOM 967 OD1 ASP A 60 12.346 0.185 7.765 1.00 50.00 O ATOM 968 OD2 ASP A 60 14.004 -0.437 6.515 1.00 75.00 O ATOM 0 H ASP A 60 11.335 2.401 3.750 1.00 10.00 H new ATOM 0 HA ASP A 60 10.293 0.924 6.040 1.00 10.00 H new ATOM 0 HB2 ASP A 60 12.411 0.462 4.617 1.00 50.00 H new ATOM 0 HB3 ASP A 60 13.118 1.891 5.345 1.00 50.00 H new ATOM 973 N PRO A 61 10.298 2.643 7.957 1.00 50.00 N ATOM 974 CA PRO A 61 10.342 3.619 9.081 1.00 50.00 C ATOM 975 C PRO A 61 11.713 3.633 9.811 1.00 50.00 C ATOM 976 O PRO A 61 12.063 4.618 10.481 1.00 75.00 O ATOM 977 CB PRO A 61 9.197 3.161 10.037 1.00 75.00 C ATOM 978 CG PRO A 61 8.428 2.113 9.279 1.00 75.00 C ATOM 979 CD PRO A 61 9.398 1.507 8.285 1.00 50.00 C ATOM 0 HA PRO A 61 10.212 4.641 8.724 1.00 50.00 H new ATOM 0 HB2 PRO A 61 9.600 2.756 10.965 1.00 75.00 H new ATOM 0 HB3 PRO A 61 8.554 3.999 10.308 1.00 75.00 H new ATOM 0 HG2 PRO A 61 8.039 1.352 9.955 1.00 75.00 H new ATOM 0 HG3 PRO A 61 7.572 2.553 8.768 1.00 75.00 H new ATOM 0 HD2 PRO A 61 9.947 0.670 8.716 1.00 50.00 H new ATOM 0 HD3 PRO A 61 8.885 1.130 7.400 1.00 50.00 H new ATOM 987 N GLY A 62 12.467 2.524 9.677 1.00 50.00 N ATOM 988 CA GLY A 62 13.789 2.364 10.297 1.00 50.00 C ATOM 989 C GLY A 62 13.965 0.970 10.892 1.00 75.00 C ATOM 990 O GLY A 62 13.911 0.794 12.114 1.00 75.00 O ATOM 0 H GLY A 62 12.171 1.713 9.133 1.00 50.00 H new ATOM 0 HA2 GLY A 62 14.565 2.543 9.553 1.00 50.00 H new ATOM 0 HA3 GLY A 62 13.918 3.113 11.078 1.00 50.00 H new ATOM 994 N GLY A 63 14.169 -0.035 10.012 1.00 75.00 N ATOM 995 CA GLY A 63 14.323 -1.445 10.415 1.00 75.00 C ATOM 996 C GLY A 63 13.013 -2.230 10.341 1.00 75.00 C ATOM 997 O GLY A 63 12.986 -3.434 10.630 1.00 75.00 O ATOM 0 H GLY A 63 14.231 0.111 9.004 1.00 75.00 H new ATOM 0 HA2 GLY A 63 15.064 -1.922 9.774 1.00 75.00 H new ATOM 0 HA3 GLY A 63 14.709 -1.487 11.434 1.00 75.00 H new ATOM 1001 N GLY A 64 11.930 -1.537 9.942 1.00 75.00 N ATOM 1002 CA GLY A 64 10.597 -2.122 9.820 1.00 75.00 C ATOM 1003 C GLY A 64 9.846 -2.113 11.148 1.00 75.00 C ATOM 1004 O GLY A 64 10.485 -1.996 12.209 1.00 75.00 O ATOM 0 H GLY A 64 11.964 -0.548 9.695 1.00 75.00 H new ATOM 0 HA2 GLY A 64 10.025 -1.568 9.076 1.00 75.00 H new ATOM 0 HA3 GLY A 64 10.682 -3.147 9.459 1.00 75.00 H new ATOM 1008 N PRO A 65 8.479 -2.200 11.145 1.00 75.00 N ATOM 1009 CA PRO A 65 7.701 -2.359 12.385 1.00 75.00 C ATOM 1010 C PRO A 65 7.964 -3.729 13.031 1.00 75.00 C ATOM 1011 O PRO A 65 7.320 -4.730 12.683 1.00 75.00 O ATOM 1012 CB PRO A 65 6.223 -2.182 11.938 1.00 75.00 C ATOM 1013 CG PRO A 65 6.309 -1.570 10.574 1.00 75.00 C ATOM 1014 CD PRO A 65 7.587 -2.117 9.965 1.00 75.00 C ATOM 0 HA PRO A 65 7.973 -1.635 13.153 1.00 75.00 H new ATOM 0 HB2 PRO A 65 5.700 -3.138 11.911 1.00 75.00 H new ATOM 0 HB3 PRO A 65 5.675 -1.539 12.627 1.00 75.00 H new ATOM 0 HG2 PRO A 65 5.441 -1.835 9.970 1.00 75.00 H new ATOM 0 HG3 PRO A 65 6.337 -0.482 10.633 1.00 75.00 H new ATOM 0 HD2 PRO A 65 7.433 -3.091 9.500 1.00 75.00 H new ATOM 0 HD3 PRO A 65 7.988 -1.457 9.196 1.00 75.00 H new ATOM 1022 N SER A 66 8.972 -3.761 13.922 1.00 75.00 N ATOM 1023 CA SER A 66 9.321 -4.949 14.714 1.00 75.00 C ATOM 1024 C SER A 66 8.140 -5.339 15.614 1.00 75.00 C ATOM 1025 O SER A 66 7.933 -6.525 15.898 1.00 75.00 O ATOM 1026 CB SER A 66 10.595 -4.674 15.546 1.00 75.00 C ATOM 1027 OG SER A 66 11.015 -5.820 16.273 1.00 75.00 O ATOM 0 H SER A 66 9.570 -2.957 14.112 1.00 75.00 H new ATOM 0 HA SER A 66 9.530 -5.785 14.046 1.00 75.00 H new ATOM 0 HB2 SER A 66 11.398 -4.351 14.883 1.00 75.00 H new ATOM 0 HB3 SER A 66 10.405 -3.855 16.239 1.00 75.00 H new ATOM 0 HG SER A 66 11.823 -5.605 16.784 1.00 75.00 H new ATOM 1033 N SER A 67 7.366 -4.318 16.035 1.00 75.00 N ATOM 1034 CA SER A 67 6.104 -4.494 16.758 1.00 75.00 C ATOM 1035 C SER A 67 5.055 -5.177 15.858 1.00 75.00 C ATOM 1036 O SER A 67 4.843 -4.751 14.712 1.00 75.00 O ATOM 1037 CB SER A 67 5.570 -3.117 17.221 1.00 75.00 C ATOM 1038 OG SER A 67 6.524 -2.438 18.024 1.00 75.00 O ATOM 0 H SER A 67 7.608 -3.340 15.877 1.00 75.00 H new ATOM 0 HA SER A 67 6.287 -5.127 17.627 1.00 75.00 H new ATOM 0 HB2 SER A 67 5.325 -2.508 16.351 1.00 75.00 H new ATOM 0 HB3 SER A 67 4.647 -3.253 17.785 1.00 75.00 H new ATOM 0 HG SER A 67 6.161 -1.571 18.301 1.00 75.00 H new ATOM 1044 N ARG A 68 4.431 -6.246 16.381 1.00 75.00 N ATOM 1045 CA ARG A 68 3.320 -6.926 15.706 1.00 75.00 C ATOM 1046 C ARG A 68 2.086 -5.990 15.652 1.00 75.00 C ATOM 1047 O ARG A 68 1.587 -5.532 16.683 1.00 75.00 O ATOM 1048 CB ARG A 68 3.037 -8.316 16.383 1.00 75.00 C ATOM 1049 CG ARG A 68 2.856 -8.322 17.935 1.00 75.00 C ATOM 1050 CD ARG A 68 1.397 -8.144 18.414 1.00 75.00 C ATOM 1051 NE ARG A 68 1.286 -8.211 19.881 1.00 75.00 N ATOM 1052 CZ ARG A 68 0.177 -7.970 20.592 1.00 75.00 C ATOM 1053 NH1 ARG A 68 -0.971 -7.644 19.996 1.00 75.00 N ATOM 1054 NH2 ARG A 68 0.218 -8.071 21.910 1.00 75.00 N ATOM 0 H ARG A 68 4.683 -6.659 17.279 1.00 75.00 H new ATOM 0 HA ARG A 68 3.585 -7.147 14.672 1.00 75.00 H new ATOM 0 HB2 ARG A 68 2.136 -8.735 15.935 1.00 75.00 H new ATOM 0 HB3 ARG A 68 3.858 -8.988 16.135 1.00 75.00 H new ATOM 0 HG2 ARG A 68 3.242 -9.262 18.329 1.00 75.00 H new ATOM 0 HG3 ARG A 68 3.464 -7.524 18.362 1.00 75.00 H new ATOM 0 HD2 ARG A 68 1.015 -7.185 18.065 1.00 75.00 H new ATOM 0 HD3 ARG A 68 0.772 -8.917 17.967 1.00 75.00 H new ATOM 0 HE ARG A 68 2.127 -8.463 20.401 1.00 75.00 H new ATOM 0 HH11 ARG A 68 -1.016 -7.574 18.979 1.00 75.00 H new ATOM 0 HH12 ARG A 68 -1.804 -7.465 20.557 1.00 75.00 H new ATOM 0 HH21 ARG A 68 1.088 -8.330 22.375 1.00 75.00 H new ATOM 0 HH22 ARG A 68 -0.621 -7.890 22.462 1.00 75.00 H new ATOM 1068 N LEU A 69 1.676 -5.638 14.419 1.00 75.00 N ATOM 1069 CA LEU A 69 0.497 -4.773 14.151 1.00 75.00 C ATOM 1070 C LEU A 69 -0.772 -5.624 13.942 1.00 75.00 C ATOM 1071 O LEU A 69 -1.858 -5.104 13.659 1.00 75.00 O ATOM 1072 CB LEU A 69 0.798 -3.881 12.917 1.00 75.00 C ATOM 1073 CG LEU A 69 2.133 -3.073 13.001 1.00 75.00 C ATOM 1074 CD1 LEU A 69 2.370 -2.247 11.729 1.00 75.00 C ATOM 1075 CD2 LEU A 69 2.198 -2.188 14.270 1.00 75.00 C ATOM 0 H LEU A 69 2.152 -5.945 13.571 1.00 75.00 H new ATOM 0 HA LEU A 69 0.309 -4.132 15.012 1.00 75.00 H new ATOM 0 HB2 LEU A 69 0.827 -4.512 12.029 1.00 75.00 H new ATOM 0 HB3 LEU A 69 -0.026 -3.180 12.783 1.00 75.00 H new ATOM 0 HG LEU A 69 2.941 -3.801 13.078 1.00 75.00 H new ATOM 0 HD11 LEU A 69 3.307 -1.698 11.821 1.00 75.00 H new ATOM 0 HD12 LEU A 69 2.423 -2.913 10.868 1.00 75.00 H new ATOM 0 HD13 LEU A 69 1.549 -1.543 11.594 1.00 75.00 H new ATOM 0 HD21 LEU A 69 3.143 -1.645 14.287 1.00 75.00 H new ATOM 0 HD22 LEU A 69 1.371 -1.478 14.261 1.00 75.00 H new ATOM 0 HD23 LEU A 69 2.126 -2.818 15.157 1.00 75.00 H new ATOM 1087 N THR A 70 -0.587 -6.935 14.104 1.00 75.00 N ATOM 1088 CA THR A 70 -1.628 -7.961 14.059 1.00 75.00 C ATOM 1089 C THR A 70 -1.294 -9.012 15.138 1.00 75.00 C ATOM 1090 O THR A 70 -0.266 -8.886 15.820 1.00 75.00 O ATOM 1091 CB THR A 70 -1.697 -8.617 12.642 1.00 75.00 C ATOM 1092 OG1 THR A 70 -2.701 -9.641 12.613 1.00 75.00 O ATOM 1093 CG2 THR A 70 -0.338 -9.201 12.206 1.00 75.00 C ATOM 0 H THR A 70 0.338 -7.328 14.279 1.00 75.00 H new ATOM 0 HA THR A 70 -2.605 -7.520 14.254 1.00 75.00 H new ATOM 0 HB THR A 70 -1.961 -7.830 11.936 1.00 75.00 H new ATOM 0 HG1 THR A 70 -3.185 -9.601 11.762 1.00 75.00 H new ATOM 0 HG21 THR A 70 -0.434 -9.646 11.216 1.00 75.00 H new ATOM 0 HG22 THR A 70 0.407 -8.406 12.176 1.00 75.00 H new ATOM 0 HG23 THR A 70 -0.025 -9.964 12.918 1.00 75.00 H new ATOM 1101 N TRP A 71 -2.146 -10.036 15.298 1.00 75.00 N ATOM 1102 CA TRP A 71 -1.898 -11.127 16.248 1.00 75.00 C ATOM 1103 C TRP A 71 -0.701 -11.975 15.775 1.00 75.00 C ATOM 1104 O TRP A 71 0.335 -12.019 16.446 1.00 75.00 O ATOM 1105 CB TRP A 71 -3.179 -11.978 16.455 1.00 75.00 C ATOM 1106 CG TRP A 71 -4.299 -11.182 17.093 1.00 75.00 C ATOM 1107 CD1 TRP A 71 -5.383 -10.617 16.470 1.00 75.00 C ATOM 1108 CD2 TRP A 71 -4.403 -10.818 18.483 1.00 75.00 C ATOM 1109 NE1 TRP A 71 -6.158 -9.953 17.387 1.00 75.00 N ATOM 1110 CE2 TRP A 71 -5.580 -10.061 18.628 1.00 75.00 C ATOM 1111 CE3 TRP A 71 -3.622 -11.074 19.618 1.00 75.00 C ATOM 1112 CZ2 TRP A 71 -5.991 -9.554 19.858 1.00 75.00 C ATOM 1113 CZ3 TRP A 71 -4.029 -10.565 20.839 1.00 75.00 C ATOM 1114 CH2 TRP A 71 -5.205 -9.816 20.950 1.00 75.00 C ATOM 0 H TRP A 71 -3.018 -10.130 14.777 1.00 75.00 H new ATOM 0 HA TRP A 71 -1.640 -10.706 17.220 1.00 75.00 H new ATOM 0 HB2 TRP A 71 -3.514 -12.367 15.493 1.00 75.00 H new ATOM 0 HB3 TRP A 71 -2.944 -12.838 17.082 1.00 75.00 H new ATOM 0 HD1 TRP A 71 -5.595 -10.685 15.413 1.00 75.00 H new ATOM 0 HE1 TRP A 71 -7.025 -9.458 17.180 1.00 75.00 H new ATOM 0 HE3 TRP A 71 -2.717 -11.659 19.541 1.00 75.00 H new ATOM 0 HZ2 TRP A 71 -6.898 -8.974 19.949 1.00 75.00 H new ATOM 0 HZ3 TRP A 71 -3.430 -10.749 21.719 1.00 75.00 H new ATOM 0 HH2 TRP A 71 -5.500 -9.436 21.917 1.00 75.00 H new ATOM 1125 N ARG A 72 -0.832 -12.617 14.603 1.00 75.00 N ATOM 1126 CA ARG A 72 0.265 -13.375 13.968 1.00 75.00 C ATOM 1127 C ARG A 72 0.252 -13.120 12.442 1.00 75.00 C ATOM 1128 O ARG A 72 1.035 -12.306 11.938 1.00 75.00 O ATOM 1129 CB ARG A 72 0.186 -14.918 14.270 1.00 75.00 C ATOM 1130 CG ARG A 72 0.316 -15.309 15.766 1.00 75.00 C ATOM 1131 CD ARG A 72 0.195 -16.829 16.007 1.00 75.00 C ATOM 1132 NE ARG A 72 0.194 -17.171 17.446 1.00 75.00 N ATOM 1133 CZ ARG A 72 0.176 -18.421 17.944 1.00 75.00 C ATOM 1134 NH1 ARG A 72 0.168 -19.483 17.134 1.00 75.00 N ATOM 1135 NH2 ARG A 72 0.150 -18.604 19.265 1.00 75.00 N ATOM 0 H ARG A 72 -1.700 -12.627 14.067 1.00 75.00 H new ATOM 0 HA ARG A 72 1.203 -13.021 14.395 1.00 75.00 H new ATOM 0 HB2 ARG A 72 -0.764 -15.297 13.894 1.00 75.00 H new ATOM 0 HB3 ARG A 72 0.974 -15.422 13.710 1.00 75.00 H new ATOM 0 HG2 ARG A 72 1.278 -14.963 16.144 1.00 75.00 H new ATOM 0 HG3 ARG A 72 -0.455 -14.794 16.338 1.00 75.00 H new ATOM 0 HD2 ARG A 72 -0.723 -17.195 15.548 1.00 75.00 H new ATOM 0 HD3 ARG A 72 1.023 -17.340 15.515 1.00 75.00 H new ATOM 0 HE ARG A 72 0.208 -16.399 18.113 1.00 75.00 H new ATOM 0 HH11 ARG A 72 0.176 -19.353 16.122 1.00 75.00 H new ATOM 0 HH12 ARG A 72 0.154 -20.424 17.527 1.00 75.00 H new ATOM 0 HH21 ARG A 72 0.144 -17.799 19.891 1.00 75.00 H new ATOM 0 HH22 ARG A 72 0.136 -19.549 19.649 1.00 75.00 H new ATOM 1149 N VAL A 73 -0.664 -13.830 11.721 1.00 75.00 N ATOM 1150 CA VAL A 73 -0.745 -13.854 10.231 1.00 75.00 C ATOM 1151 C VAL A 73 0.578 -14.408 9.593 1.00 75.00 C ATOM 1152 O VAL A 73 0.737 -14.459 8.372 1.00 75.00 O ATOM 1153 CB VAL A 73 -1.206 -12.443 9.640 1.00 75.00 C ATOM 1154 CG1 VAL A 73 -1.462 -12.470 8.109 1.00 75.00 C ATOM 1155 CG2 VAL A 73 -2.475 -11.933 10.376 1.00 50.00 C ATOM 0 H VAL A 73 -1.376 -14.409 12.166 1.00 75.00 H new ATOM 0 HA VAL A 73 -1.528 -14.557 9.945 1.00 75.00 H new ATOM 0 HB VAL A 73 -0.376 -11.758 9.810 1.00 75.00 H new ATOM 0 HG11 VAL A 73 -1.772 -11.480 7.774 1.00 75.00 H new ATOM 0 HG12 VAL A 73 -0.547 -12.758 7.592 1.00 75.00 H new ATOM 0 HG13 VAL A 73 -2.248 -13.191 7.884 1.00 75.00 H new ATOM 0 HG21 VAL A 73 -2.775 -10.971 9.960 1.00 50.00 H new ATOM 0 HG22 VAL A 73 -3.284 -12.652 10.247 1.00 50.00 H new ATOM 0 HG23 VAL A 73 -2.258 -11.818 11.438 1.00 50.00 H new ATOM 1165 N GLN A 74 1.478 -14.944 10.452 1.00 75.00 N ATOM 1166 CA GLN A 74 2.787 -15.507 10.052 1.00 75.00 C ATOM 1167 C GLN A 74 2.637 -16.961 9.530 1.00 75.00 C ATOM 1168 O GLN A 74 3.616 -17.597 9.120 1.00 75.00 O ATOM 1169 CB GLN A 74 3.768 -15.438 11.259 1.00 75.00 C ATOM 1170 CG GLN A 74 3.330 -16.260 12.496 1.00 75.00 C ATOM 1171 CD GLN A 74 4.178 -16.014 13.753 1.00 75.00 C ATOM 1172 OE1 GLN A 74 4.713 -14.923 13.963 1.00 75.00 O ATOM 1173 NE2 GLN A 74 4.300 -17.023 14.606 1.00 75.00 N ATOM 0 H GLN A 74 1.311 -14.997 11.457 1.00 75.00 H new ATOM 0 HA GLN A 74 3.193 -14.915 9.232 1.00 75.00 H new ATOM 0 HB2 GLN A 74 4.747 -15.789 10.934 1.00 75.00 H new ATOM 0 HB3 GLN A 74 3.885 -14.396 11.555 1.00 75.00 H new ATOM 0 HG2 GLN A 74 2.290 -16.026 12.723 1.00 75.00 H new ATOM 0 HG3 GLN A 74 3.371 -17.320 12.246 1.00 75.00 H new ATOM 0 HE21 GLN A 74 3.847 -17.915 14.408 1.00 75.00 H new ATOM 0 HE22 GLN A 74 4.847 -16.906 15.459 1.00 75.00 H new ATOM 1182 N ARG A 75 1.383 -17.454 9.543 1.00 75.00 N ATOM 1183 CA ARG A 75 0.997 -18.780 9.030 1.00 75.00 C ATOM 1184 C ARG A 75 0.622 -18.714 7.530 1.00 75.00 C ATOM 1185 O ARG A 75 0.353 -19.749 6.912 1.00 75.00 O ATOM 1186 CB ARG A 75 -0.209 -19.307 9.855 1.00 75.00 C ATOM 1187 CG ARG A 75 0.025 -19.338 11.385 1.00 75.00 C ATOM 1188 CD ARG A 75 -1.217 -19.794 12.171 1.00 75.00 C ATOM 1189 NE ARG A 75 -1.631 -21.174 11.848 1.00 75.00 N ATOM 1190 CZ ARG A 75 -2.894 -21.637 11.878 1.00 75.00 C ATOM 1191 NH1 ARG A 75 -3.907 -20.842 12.213 1.00 75.00 N ATOM 1192 NH2 ARG A 75 -3.132 -22.908 11.595 1.00 75.00 N ATOM 0 H ARG A 75 0.594 -16.928 9.919 1.00 75.00 H new ATOM 0 HA ARG A 75 1.846 -19.457 9.131 1.00 75.00 H new ATOM 0 HB2 ARG A 75 -1.077 -18.682 9.645 1.00 75.00 H new ATOM 0 HB3 ARG A 75 -0.452 -20.314 9.517 1.00 75.00 H new ATOM 0 HG2 ARG A 75 0.856 -20.008 11.607 1.00 75.00 H new ATOM 0 HG3 ARG A 75 0.318 -18.344 11.723 1.00 75.00 H new ATOM 0 HD2 ARG A 75 -1.010 -19.723 13.239 1.00 75.00 H new ATOM 0 HD3 ARG A 75 -2.043 -19.114 11.961 1.00 75.00 H new ATOM 0 HE ARG A 75 -0.898 -21.831 11.580 1.00 75.00 H new ATOM 0 HH11 ARG A 75 -3.732 -19.866 12.452 1.00 75.00 H new ATOM 0 HH12 ARG A 75 -4.859 -21.209 12.231 1.00 75.00 H new ATOM 0 HH21 ARG A 75 -2.360 -23.530 11.356 1.00 75.00 H new ATOM 0 HH22 ARG A 75 -4.087 -23.265 11.616 1.00 75.00 H new ATOM 1206 N SER A 76 0.609 -17.485 6.963 1.00 75.00 N ATOM 1207 CA SER A 76 0.198 -17.230 5.567 1.00 75.00 C ATOM 1208 C SER A 76 1.367 -17.482 4.587 1.00 75.00 C ATOM 1209 O SER A 76 1.851 -16.555 3.916 1.00 75.00 O ATOM 1210 CB SER A 76 -0.342 -15.780 5.449 1.00 75.00 C ATOM 1211 OG SER A 76 -1.399 -15.555 6.370 1.00 75.00 O ATOM 0 H SER A 76 0.885 -16.641 7.465 1.00 75.00 H new ATOM 0 HA SER A 76 -0.597 -17.924 5.295 1.00 75.00 H new ATOM 0 HB2 SER A 76 0.465 -15.071 5.635 1.00 75.00 H new ATOM 0 HB3 SER A 76 -0.695 -15.601 4.433 1.00 75.00 H new ATOM 0 HG SER A 76 -1.039 -15.160 7.191 1.00 75.00 H new ATOM 1217 N GLN A 77 1.828 -18.761 4.549 1.00 75.00 N ATOM 1218 CA GLN A 77 2.895 -19.238 3.640 1.00 75.00 C ATOM 1219 C GLN A 77 4.212 -18.456 3.855 1.00 75.00 C ATOM 1220 O GLN A 77 4.871 -18.045 2.896 1.00 75.00 O ATOM 1221 CB GLN A 77 2.396 -19.174 2.165 1.00 75.00 C ATOM 1222 CG GLN A 77 1.232 -20.120 1.823 1.00 75.00 C ATOM 1223 CD GLN A 77 1.640 -21.596 1.728 1.00 75.00 C ATOM 1224 OE1 GLN A 77 2.054 -22.071 0.666 1.00 75.00 O ATOM 1225 NE2 GLN A 77 1.527 -22.327 2.830 1.00 75.00 N ATOM 0 H GLN A 77 1.463 -19.494 5.157 1.00 75.00 H new ATOM 0 HA GLN A 77 3.122 -20.279 3.872 1.00 75.00 H new ATOM 0 HB2 GLN A 77 2.087 -18.152 1.947 1.00 75.00 H new ATOM 0 HB3 GLN A 77 3.233 -19.402 1.505 1.00 75.00 H new ATOM 0 HG2 GLN A 77 0.456 -20.015 2.582 1.00 75.00 H new ATOM 0 HG3 GLN A 77 0.793 -19.812 0.874 1.00 75.00 H new ATOM 0 HE21 GLN A 77 1.181 -21.902 3.691 1.00 75.00 H new ATOM 0 HE22 GLN A 77 1.786 -23.313 2.816 1.00 75.00 H new ATOM 1234 N ASN A 78 4.567 -18.271 5.143 1.00 75.00 N ATOM 1235 CA ASN A 78 5.814 -17.591 5.581 1.00 75.00 C ATOM 1236 C ASN A 78 5.930 -16.145 5.015 1.00 75.00 C ATOM 1237 O ASN A 78 6.711 -15.895 4.080 1.00 75.00 O ATOM 1238 CB ASN A 78 7.073 -18.446 5.229 1.00 75.00 C ATOM 1239 CG ASN A 78 7.073 -19.827 5.896 1.00 75.00 C ATOM 1240 OD1 ASN A 78 6.544 -20.795 5.350 1.00 75.00 O ATOM 1241 ND2 ASN A 78 7.665 -19.929 7.077 1.00 75.00 N ATOM 0 H ASN A 78 3.992 -18.592 5.922 1.00 75.00 H new ATOM 0 HA ASN A 78 5.763 -17.497 6.666 1.00 75.00 H new ATOM 0 HB2 ASN A 78 7.127 -18.572 4.148 1.00 75.00 H new ATOM 0 HB3 ASN A 78 7.969 -17.904 5.532 1.00 75.00 H new ATOM 0 HD21 ASN A 78 7.691 -20.828 7.559 1.00 75.00 H new ATOM 0 HD22 ASN A 78 8.095 -19.109 7.505 1.00 75.00 H new ATOM 1248 N PRO A 79 5.100 -15.171 5.529 1.00 75.00 N ATOM 1249 CA PRO A 79 5.196 -13.740 5.145 1.00 75.00 C ATOM 1250 C PRO A 79 6.499 -13.082 5.638 1.00 75.00 C ATOM 1251 O PRO A 79 7.246 -12.487 4.845 1.00 75.00 O ATOM 1252 CB PRO A 79 3.950 -13.088 5.820 1.00 75.00 C ATOM 1253 CG PRO A 79 3.054 -14.236 6.152 1.00 75.00 C ATOM 1254 CD PRO A 79 3.979 -15.385 6.472 1.00 75.00 C ATOM 0 HA PRO A 79 5.215 -13.613 4.063 1.00 75.00 H new ATOM 0 HB2 PRO A 79 4.230 -12.533 6.715 1.00 75.00 H new ATOM 0 HB3 PRO A 79 3.459 -12.384 5.148 1.00 75.00 H new ATOM 0 HG2 PRO A 79 2.411 -14.001 7.000 1.00 75.00 H new ATOM 0 HG3 PRO A 79 2.400 -14.479 5.315 1.00 75.00 H new ATOM 0 HD2 PRO A 79 4.312 -15.360 7.510 1.00 75.00 H new ATOM 0 HD3 PRO A 79 3.496 -16.350 6.315 1.00 75.00 H new ATOM 1262 N LEU A 80 6.747 -13.221 6.961 1.00 75.00 N ATOM 1263 CA LEU A 80 7.850 -12.548 7.671 1.00 75.00 C ATOM 1264 C LEU A 80 9.218 -13.009 7.136 1.00 75.00 C ATOM 1265 O LEU A 80 9.695 -14.096 7.463 1.00 75.00 O ATOM 1266 CB LEU A 80 7.730 -12.795 9.204 1.00 75.00 C ATOM 1267 CG LEU A 80 6.522 -12.095 9.907 1.00 75.00 C ATOM 1268 CD1 LEU A 80 6.358 -12.563 11.368 1.00 75.00 C ATOM 1269 CD2 LEU A 80 6.656 -10.557 9.830 1.00 75.00 C ATOM 0 H LEU A 80 6.178 -13.811 7.569 1.00 75.00 H new ATOM 0 HA LEU A 80 7.776 -11.476 7.489 1.00 75.00 H new ATOM 0 HB2 LEU A 80 7.656 -13.869 9.376 1.00 75.00 H new ATOM 0 HB3 LEU A 80 8.650 -12.459 9.682 1.00 75.00 H new ATOM 0 HG LEU A 80 5.619 -12.387 9.371 1.00 75.00 H new ATOM 0 HD11 LEU A 80 5.508 -12.053 11.820 1.00 75.00 H new ATOM 0 HD12 LEU A 80 6.188 -13.639 11.388 1.00 75.00 H new ATOM 0 HD13 LEU A 80 7.262 -12.328 11.929 1.00 75.00 H new ATOM 0 HD21 LEU A 80 5.804 -10.092 10.326 1.00 75.00 H new ATOM 0 HD22 LEU A 80 7.577 -10.247 10.324 1.00 75.00 H new ATOM 0 HD23 LEU A 80 6.682 -10.246 8.786 1.00 75.00 H new ATOM 1281 N LYS A 81 9.793 -12.171 6.267 1.00 75.00 N ATOM 1282 CA LYS A 81 11.115 -12.373 5.656 1.00 75.00 C ATOM 1283 C LYS A 81 11.939 -11.084 5.810 1.00 75.00 C ATOM 1284 O LYS A 81 11.375 -9.989 5.915 1.00 75.00 O ATOM 1285 CB LYS A 81 10.965 -12.784 4.160 1.00 75.00 C ATOM 1286 CG LYS A 81 10.442 -14.232 3.949 1.00 75.00 C ATOM 1287 CD LYS A 81 10.334 -14.635 2.460 1.00 75.00 C ATOM 1288 CE LYS A 81 9.280 -13.830 1.691 1.00 75.00 C ATOM 1289 NZ LYS A 81 7.909 -14.023 2.246 1.00 75.00 N ATOM 0 H LYS A 81 9.341 -11.310 5.960 1.00 75.00 H new ATOM 0 HA LYS A 81 11.638 -13.184 6.162 1.00 75.00 H new ATOM 0 HB2 LYS A 81 10.284 -12.088 3.670 1.00 75.00 H new ATOM 0 HB3 LYS A 81 11.932 -12.683 3.668 1.00 75.00 H new ATOM 0 HG2 LYS A 81 11.107 -14.929 4.459 1.00 75.00 H new ATOM 0 HG3 LYS A 81 9.462 -14.328 4.416 1.00 75.00 H new ATOM 0 HD2 LYS A 81 11.304 -14.500 1.983 1.00 75.00 H new ATOM 0 HD3 LYS A 81 10.091 -15.696 2.394 1.00 75.00 H new ATOM 0 HE2 LYS A 81 9.538 -12.772 1.724 1.00 75.00 H new ATOM 0 HE3 LYS A 81 9.291 -14.128 0.643 1.00 75.00 H new ATOM 0 HZ1 LYS A 81 7.205 -13.693 1.555 1.00 75.00 H new ATOM 0 HZ2 LYS A 81 7.753 -15.032 2.444 1.00 75.00 H new ATOM 0 HZ3 LYS A 81 7.811 -13.478 3.127 1.00 75.00 H new ATOM 1303 N ILE A 82 13.277 -11.225 5.780 1.00 75.00 N ATOM 1304 CA ILE A 82 14.226 -10.131 6.091 1.00 75.00 C ATOM 1305 C ILE A 82 14.526 -9.240 4.860 1.00 75.00 C ATOM 1306 O ILE A 82 15.500 -8.475 4.860 1.00 75.00 O ATOM 1307 CB ILE A 82 15.563 -10.706 6.717 1.00 75.00 C ATOM 1308 CG1 ILE A 82 16.306 -11.657 5.716 1.00 75.00 C ATOM 1309 CG2 ILE A 82 15.269 -11.429 8.056 1.00 75.00 C ATOM 1310 CD1 ILE A 82 17.618 -12.253 6.235 1.00 75.00 C ATOM 0 H ILE A 82 13.736 -12.103 5.539 1.00 75.00 H new ATOM 0 HA ILE A 82 13.744 -9.492 6.831 1.00 75.00 H new ATOM 0 HB ILE A 82 16.226 -9.865 6.918 1.00 75.00 H new ATOM 0 HG12 ILE A 82 15.635 -12.474 5.449 1.00 75.00 H new ATOM 0 HG13 ILE A 82 16.514 -11.104 4.800 1.00 75.00 H new ATOM 0 HG21 ILE A 82 16.199 -11.818 8.472 1.00 75.00 H new ATOM 0 HG22 ILE A 82 14.823 -10.725 8.759 1.00 75.00 H new ATOM 0 HG23 ILE A 82 14.578 -12.253 7.880 1.00 75.00 H new ATOM 0 HD11 ILE A 82 18.054 -12.895 5.470 1.00 75.00 H new ATOM 0 HD12 ILE A 82 18.314 -11.449 6.473 1.00 75.00 H new ATOM 0 HD13 ILE A 82 17.421 -12.840 7.132 1.00 75.00 H new ATOM 1322 N ARG A 83 13.670 -9.327 3.823 1.00 75.00 N ATOM 1323 CA ARG A 83 13.723 -8.424 2.661 1.00 75.00 C ATOM 1324 C ARG A 83 13.042 -7.084 3.018 1.00 75.00 C ATOM 1325 O ARG A 83 11.901 -6.815 2.619 1.00 75.00 O ATOM 1326 CB ARG A 83 13.061 -9.085 1.416 1.00 75.00 C ATOM 1327 CG ARG A 83 13.699 -10.425 0.988 1.00 75.00 C ATOM 1328 CD ARG A 83 13.038 -11.027 -0.266 1.00 75.00 C ATOM 1329 NE ARG A 83 13.582 -12.355 -0.614 1.00 75.00 N ATOM 1330 CZ ARG A 83 14.398 -12.629 -1.647 1.00 75.00 C ATOM 1331 NH1 ARG A 83 14.818 -11.670 -2.475 1.00 75.00 N ATOM 1332 NH2 ARG A 83 14.759 -13.889 -1.871 1.00 75.00 N ATOM 0 H ARG A 83 12.926 -10.023 3.769 1.00 75.00 H new ATOM 0 HA ARG A 83 14.764 -8.227 2.406 1.00 75.00 H new ATOM 0 HB2 ARG A 83 12.005 -9.251 1.627 1.00 75.00 H new ATOM 0 HB3 ARG A 83 13.113 -8.388 0.579 1.00 75.00 H new ATOM 0 HG2 ARG A 83 14.761 -10.271 0.795 1.00 75.00 H new ATOM 0 HG3 ARG A 83 13.624 -11.137 1.810 1.00 75.00 H new ATOM 0 HD2 ARG A 83 11.964 -11.111 -0.101 1.00 75.00 H new ATOM 0 HD3 ARG A 83 13.179 -10.349 -1.108 1.00 75.00 H new ATOM 0 HE ARG A 83 13.314 -13.136 -0.016 1.00 75.00 H new ATOM 0 HH11 ARG A 83 14.520 -10.705 -2.331 1.00 75.00 H new ATOM 0 HH12 ARG A 83 15.437 -11.902 -3.252 1.00 75.00 H new ATOM 0 HH21 ARG A 83 14.417 -14.633 -1.263 1.00 75.00 H new ATOM 0 HH22 ARG A 83 15.377 -14.111 -2.651 1.00 75.00 H new ATOM 1346 N LEU A 84 13.743 -6.282 3.839 1.00 75.00 N ATOM 1347 CA LEU A 84 13.290 -4.938 4.232 1.00 75.00 C ATOM 1348 C LEU A 84 13.560 -3.955 3.079 1.00 75.00 C ATOM 1349 O LEU A 84 14.685 -3.893 2.566 1.00 75.00 O ATOM 1350 CB LEU A 84 14.033 -4.459 5.519 1.00 75.00 C ATOM 1351 CG LEU A 84 13.860 -5.335 6.802 1.00 75.00 C ATOM 1352 CD1 LEU A 84 14.703 -4.786 7.974 1.00 75.00 C ATOM 1353 CD2 LEU A 84 12.377 -5.472 7.200 1.00 75.00 C ATOM 0 H LEU A 84 14.639 -6.548 4.248 1.00 75.00 H new ATOM 0 HA LEU A 84 12.222 -4.974 4.446 1.00 75.00 H new ATOM 0 HB2 LEU A 84 15.097 -4.395 5.293 1.00 75.00 H new ATOM 0 HB3 LEU A 84 13.695 -3.449 5.750 1.00 75.00 H new ATOM 0 HG LEU A 84 14.229 -6.333 6.565 1.00 75.00 H new ATOM 0 HD11 LEU A 84 14.561 -5.417 8.851 1.00 75.00 H new ATOM 0 HD12 LEU A 84 15.757 -4.784 7.695 1.00 75.00 H new ATOM 0 HD13 LEU A 84 14.387 -3.768 8.204 1.00 75.00 H new ATOM 0 HD21 LEU A 84 12.296 -6.088 8.096 1.00 75.00 H new ATOM 0 HD22 LEU A 84 11.961 -4.484 7.399 1.00 75.00 H new ATOM 0 HD23 LEU A 84 11.824 -5.941 6.386 1.00 75.00 H new ATOM 1365 N THR A 85 12.528 -3.206 2.673 1.00 75.00 N ATOM 1366 CA THR A 85 12.664 -2.111 1.690 1.00 75.00 C ATOM 1367 C THR A 85 13.368 -0.899 2.346 1.00 75.00 C ATOM 1368 O THR A 85 13.736 -0.969 3.521 1.00 75.00 O ATOM 1369 CB THR A 85 11.253 -1.719 1.140 1.00 75.00 C ATOM 1370 OG1 THR A 85 10.386 -1.331 2.223 1.00 75.00 O ATOM 1371 CG2 THR A 85 10.613 -2.888 0.359 1.00 75.00 C ATOM 0 H THR A 85 11.575 -3.337 3.012 1.00 75.00 H new ATOM 0 HA THR A 85 13.277 -2.444 0.852 1.00 75.00 H new ATOM 0 HB THR A 85 11.383 -0.878 0.459 1.00 75.00 H new ATOM 0 HG1 THR A 85 9.605 -1.923 2.245 1.00 75.00 H new ATOM 0 HG21 THR A 85 9.633 -2.585 -0.011 1.00 75.00 H new ATOM 0 HG22 THR A 85 11.252 -3.156 -0.483 1.00 75.00 H new ATOM 0 HG23 THR A 85 10.502 -3.749 1.019 1.00 75.00 H new ATOM 1379 N ARG A 86 13.603 0.194 1.592 1.00 75.00 N ATOM 1380 CA ARG A 86 14.191 1.423 2.169 1.00 75.00 C ATOM 1381 C ARG A 86 13.466 2.681 1.651 1.00 75.00 C ATOM 1382 O ARG A 86 12.538 3.177 2.299 1.00 75.00 O ATOM 1383 CB ARG A 86 15.731 1.498 1.916 1.00 75.00 C ATOM 1384 CG ARG A 86 16.399 2.750 2.534 1.00 75.00 C ATOM 1385 CD ARG A 86 17.928 2.832 2.334 1.00 75.00 C ATOM 1386 NE ARG A 86 18.496 4.027 2.995 1.00 75.00 N ATOM 1387 CZ ARG A 86 18.323 5.306 2.595 1.00 75.00 C ATOM 1388 NH1 ARG A 86 17.596 5.606 1.519 1.00 75.00 N ATOM 1389 NH2 ARG A 86 18.889 6.283 3.286 1.00 75.00 N ATOM 0 H ARG A 86 13.398 0.253 0.595 1.00 75.00 H new ATOM 0 HA ARG A 86 14.048 1.382 3.249 1.00 75.00 H new ATOM 0 HB2 ARG A 86 16.202 0.605 2.326 1.00 75.00 H new ATOM 0 HB3 ARG A 86 15.915 1.491 0.842 1.00 75.00 H new ATOM 0 HG2 ARG A 86 15.942 3.640 2.101 1.00 75.00 H new ATOM 0 HG3 ARG A 86 16.185 2.769 3.603 1.00 75.00 H new ATOM 0 HD2 ARG A 86 18.398 1.934 2.736 1.00 75.00 H new ATOM 0 HD3 ARG A 86 18.156 2.861 1.268 1.00 75.00 H new ATOM 0 HE ARG A 86 19.068 3.872 3.825 1.00 75.00 H new ATOM 0 HH11 ARG A 86 17.156 4.862 0.978 1.00 75.00 H new ATOM 0 HH12 ARG A 86 17.480 6.579 1.237 1.00 75.00 H new ATOM 0 HH21 ARG A 86 19.449 6.066 4.111 1.00 75.00 H new ATOM 0 HH22 ARG A 86 18.765 7.252 2.994 1.00 75.00 H new ATOM 1403 N GLU A 87 13.863 3.165 0.462 1.00 75.00 N ATOM 1404 CA GLU A 87 13.465 4.501 -0.020 1.00 75.00 C ATOM 1405 C GLU A 87 13.618 4.600 -1.545 1.00 75.00 C ATOM 1406 O GLU A 87 14.490 3.955 -2.138 1.00 75.00 O ATOM 1407 CB GLU A 87 14.334 5.584 0.683 1.00 75.00 C ATOM 1408 CG GLU A 87 14.062 7.044 0.251 1.00 75.00 C ATOM 1409 CD GLU A 87 15.010 8.062 0.908 1.00 75.00 C ATOM 1410 OE1 GLU A 87 16.219 8.060 0.575 1.00 75.00 O ATOM 1411 OE2 GLU A 87 14.564 8.868 1.754 1.00 75.00 O ATOM 0 H GLU A 87 14.461 2.651 -0.185 1.00 75.00 H new ATOM 0 HA GLU A 87 12.415 4.666 0.223 1.00 75.00 H new ATOM 0 HB2 GLU A 87 14.178 5.507 1.759 1.00 75.00 H new ATOM 0 HB3 GLU A 87 15.384 5.359 0.497 1.00 75.00 H new ATOM 0 HG2 GLU A 87 14.156 7.118 -0.832 1.00 75.00 H new ATOM 0 HG3 GLU A 87 13.033 7.303 0.500 1.00 75.00 H new ATOM 1418 N ALA A 88 12.740 5.407 -2.157 1.00 75.00 N ATOM 1419 CA ALA A 88 12.800 5.786 -3.573 1.00 75.00 C ATOM 1420 C ALA A 88 11.989 7.091 -3.749 1.00 75.00 C ATOM 1421 O ALA A 88 10.893 7.186 -3.197 1.00 75.00 O ATOM 1422 CB ALA A 88 12.245 4.661 -4.471 1.00 75.00 C ATOM 0 H ALA A 88 11.949 5.824 -1.667 1.00 75.00 H new ATOM 0 HA ALA A 88 13.835 5.947 -3.874 1.00 75.00 H new ATOM 0 HB1 ALA A 88 12.301 4.968 -5.515 1.00 75.00 H new ATOM 0 HB2 ALA A 88 12.835 3.756 -4.327 1.00 75.00 H new ATOM 0 HB3 ALA A 88 11.206 4.463 -4.206 1.00 75.00 H new ATOM 1428 N PRO A 89 12.527 8.139 -4.455 1.00 75.00 N ATOM 1429 CA PRO A 89 11.753 9.370 -4.769 1.00 75.00 C ATOM 1430 C PRO A 89 10.589 9.055 -5.756 1.00 75.00 C ATOM 1431 O PRO A 89 10.847 8.901 -6.968 1.00 75.00 O ATOM 1432 CB PRO A 89 12.823 10.339 -5.380 1.00 75.00 C ATOM 1433 CG PRO A 89 14.151 9.739 -5.005 1.00 75.00 C ATOM 1434 CD PRO A 89 13.915 8.241 -4.964 1.00 75.00 C ATOM 1435 OXT PRO A 89 9.427 8.942 -5.310 1.00 75.00 O ATOM 0 HA PRO A 89 11.265 9.810 -3.900 1.00 75.00 H new ATOM 0 HB2 PRO A 89 12.715 10.414 -6.462 1.00 75.00 H new ATOM 0 HB3 PRO A 89 12.718 11.347 -4.978 1.00 75.00 H new ATOM 0 HG2 PRO A 89 14.919 9.997 -5.734 1.00 75.00 H new ATOM 0 HG3 PRO A 89 14.492 10.110 -4.038 1.00 75.00 H new ATOM 0 HD2 PRO A 89 14.018 7.789 -5.950 1.00 75.00 H new ATOM 0 HD3 PRO A 89 14.624 7.738 -4.307 1.00 75.00 H new TER 1443 PRO A 89