USER MOD reduce.3.24.130724 H: found=0, std=0, add=651, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 649 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 Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 ASN : amide:sc= -0.144 K(o=-0.14,f=-1.3) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= -0.0235 USER MOD Single : A 16 GLN : amide:sc= -0.955 X(o=-0.96,f=-1) USER MOD Single : A 18 GLN : amide:sc= -0.0809 K(o=-0.081,f=-3.3!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 HIS :FLIP no HD1:sc= 0.21 F(o=-3.1,f=0.24) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= 0.0131 K(o=0.013,f=-2.4!) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -0.093 X(o=-0.093,f=0) USER MOD Single : A 61 LYS NZ :NH3+ -147:sc= 1.16 (180deg=0.946) USER MOD Single : A 67 LYS NZ :NH3+ 157:sc= -0.86 (180deg=-1.47!) USER MOD Single : A 70 ASN : amide:sc= -0.657 X(o=-0.66,f=-0.97!) USER MOD Single : A 71 GLN : amide:sc= -0.0748 K(o=-0.075,f=-0.8) USER MOD Single : A 74 GLN : amide:sc= 0 K(o=0,f=-0.78) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -6.208 -10.178 9.124 1.00 0.00 N ATOM 2 CA GLY A 1 -6.844 -8.885 8.945 1.00 0.00 C ATOM 3 C GLY A 1 -7.662 -8.470 10.152 1.00 0.00 C ATOM 4 O GLY A 1 -8.869 -8.250 10.046 1.00 0.00 O ATOM 0 H1 GLY A 1 -5.661 -10.417 8.272 1.00 0.00 H new ATOM 0 H2 GLY A 1 -5.571 -10.141 9.945 1.00 0.00 H new ATOM 0 H3 GLY A 1 -6.936 -10.904 9.283 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -6.081 -8.132 8.751 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -7.489 -8.919 8.067 1.00 0.00 H new ATOM 8 N SER A 2 -7.006 -8.364 11.303 1.00 0.00 N ATOM 9 CA SER A 2 -7.681 -7.977 12.536 1.00 0.00 C ATOM 10 C SER A 2 -7.276 -6.569 12.959 1.00 0.00 C ATOM 11 O SER A 2 -6.152 -6.133 12.711 1.00 0.00 O ATOM 12 CB SER A 2 -7.356 -8.970 13.653 1.00 0.00 C ATOM 13 OG SER A 2 -6.041 -8.776 14.142 1.00 0.00 O ATOM 0 H SER A 2 -6.007 -8.541 11.407 1.00 0.00 H new ATOM 0 HA SER A 2 -8.755 -7.987 12.351 1.00 0.00 H new ATOM 0 HB2 SER A 2 -8.071 -8.853 14.467 1.00 0.00 H new ATOM 0 HB3 SER A 2 -7.462 -9.989 13.280 1.00 0.00 H new ATOM 0 HG SER A 2 -5.859 -9.422 14.856 1.00 0.00 H new ATOM 19 N SER A 3 -8.202 -5.860 13.598 1.00 0.00 N ATOM 20 CA SER A 3 -7.944 -4.499 14.052 1.00 0.00 C ATOM 21 C SER A 3 -6.575 -4.398 14.716 1.00 0.00 C ATOM 22 O SER A 3 -6.056 -5.379 15.246 1.00 0.00 O ATOM 23 CB SER A 3 -9.032 -4.050 15.030 1.00 0.00 C ATOM 24 OG SER A 3 -8.877 -2.685 15.374 1.00 0.00 O ATOM 0 H SER A 3 -9.137 -6.206 13.813 1.00 0.00 H new ATOM 0 HA SER A 3 -7.955 -3.844 13.181 1.00 0.00 H new ATOM 0 HB2 SER A 3 -10.014 -4.206 14.583 1.00 0.00 H new ATOM 0 HB3 SER A 3 -8.991 -4.662 15.931 1.00 0.00 H new ATOM 0 HG SER A 3 -9.585 -2.423 15.998 1.00 0.00 H new ATOM 30 N GLY A 4 -5.994 -3.202 14.682 1.00 0.00 N ATOM 31 CA GLY A 4 -4.689 -2.994 15.282 1.00 0.00 C ATOM 32 C GLY A 4 -3.581 -3.694 14.521 1.00 0.00 C ATOM 33 O GLY A 4 -3.332 -4.882 14.726 1.00 0.00 O ATOM 0 H GLY A 4 -6.404 -2.374 14.250 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -4.478 -1.925 15.323 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -4.704 -3.356 16.310 1.00 0.00 H new ATOM 37 N SER A 5 -2.915 -2.957 13.637 1.00 0.00 N ATOM 38 CA SER A 5 -1.831 -3.517 12.839 1.00 0.00 C ATOM 39 C SER A 5 -0.474 -3.132 13.420 1.00 0.00 C ATOM 40 O SER A 5 0.041 -2.045 13.158 1.00 0.00 O ATOM 41 CB SER A 5 -1.934 -3.032 11.391 1.00 0.00 C ATOM 42 OG SER A 5 -3.185 -3.381 10.825 1.00 0.00 O ATOM 0 H SER A 5 -3.107 -1.972 13.456 1.00 0.00 H new ATOM 0 HA SER A 5 -1.921 -4.603 12.859 1.00 0.00 H new ATOM 0 HB2 SER A 5 -1.805 -1.950 11.356 1.00 0.00 H new ATOM 0 HB3 SER A 5 -1.129 -3.469 10.800 1.00 0.00 H new ATOM 0 HG SER A 5 -3.227 -3.059 9.900 1.00 0.00 H new ATOM 48 N SER A 6 0.101 -4.034 14.210 1.00 0.00 N ATOM 49 CA SER A 6 1.397 -3.789 14.832 1.00 0.00 C ATOM 50 C SER A 6 2.529 -4.317 13.955 1.00 0.00 C ATOM 51 O SER A 6 2.347 -5.264 13.192 1.00 0.00 O ATOM 52 CB SER A 6 1.456 -4.447 16.212 1.00 0.00 C ATOM 53 OG SER A 6 1.605 -5.851 16.102 1.00 0.00 O ATOM 0 H SER A 6 -0.310 -4.940 14.434 1.00 0.00 H new ATOM 0 HA SER A 6 1.521 -2.712 14.945 1.00 0.00 H new ATOM 0 HB2 SER A 6 2.289 -4.033 16.780 1.00 0.00 H new ATOM 0 HB3 SER A 6 0.546 -4.217 16.767 1.00 0.00 H new ATOM 0 HG SER A 6 1.642 -6.247 16.998 1.00 0.00 H new ATOM 59 N GLY A 7 3.698 -3.696 14.072 1.00 0.00 N ATOM 60 CA GLY A 7 4.844 -4.116 13.286 1.00 0.00 C ATOM 61 C GLY A 7 5.058 -3.247 12.063 1.00 0.00 C ATOM 62 O GLY A 7 4.100 -2.870 11.386 1.00 0.00 O ATOM 0 H GLY A 7 3.873 -2.909 14.697 1.00 0.00 H new ATOM 0 HA2 GLY A 7 5.738 -4.088 13.909 1.00 0.00 H new ATOM 0 HA3 GLY A 7 4.706 -5.151 12.973 1.00 0.00 H new ATOM 66 N GLN A 8 6.316 -2.925 11.780 1.00 0.00 N ATOM 67 CA GLN A 8 6.651 -2.091 10.632 1.00 0.00 C ATOM 68 C GLN A 8 8.162 -2.011 10.440 1.00 0.00 C ATOM 69 O GLN A 8 8.857 -1.323 11.186 1.00 0.00 O ATOM 70 CB GLN A 8 6.073 -0.686 10.809 1.00 0.00 C ATOM 71 CG GLN A 8 5.951 0.090 9.507 1.00 0.00 C ATOM 72 CD GLN A 8 5.779 1.580 9.730 1.00 0.00 C ATOM 73 OE1 GLN A 8 6.597 2.384 9.281 1.00 0.00 O ATOM 74 NE2 GLN A 8 4.713 1.955 10.426 1.00 0.00 N ATOM 0 H GLN A 8 7.120 -3.229 12.330 1.00 0.00 H new ATOM 0 HA GLN A 8 6.213 -2.547 9.744 1.00 0.00 H new ATOM 0 HB2 GLN A 8 5.088 -0.763 11.270 1.00 0.00 H new ATOM 0 HB3 GLN A 8 6.705 -0.126 11.498 1.00 0.00 H new ATOM 0 HG2 GLN A 8 6.840 -0.083 8.901 1.00 0.00 H new ATOM 0 HG3 GLN A 8 5.101 -0.289 8.941 1.00 0.00 H new ATOM 0 HE21 GLN A 8 4.062 1.254 10.779 1.00 0.00 H new ATOM 0 HE22 GLN A 8 4.545 2.944 10.608 1.00 0.00 H new ATOM 83 N ARG A 9 8.663 -2.721 9.434 1.00 0.00 N ATOM 84 CA ARG A 9 10.092 -2.733 9.144 1.00 0.00 C ATOM 85 C ARG A 9 10.623 -1.312 8.974 1.00 0.00 C ATOM 86 O ARG A 9 9.859 -0.376 8.744 1.00 0.00 O ATOM 87 CB ARG A 9 10.372 -3.548 7.880 1.00 0.00 C ATOM 88 CG ARG A 9 10.003 -5.017 8.009 1.00 0.00 C ATOM 89 CD ARG A 9 11.111 -5.813 8.679 1.00 0.00 C ATOM 90 NE ARG A 9 12.328 -5.842 7.873 1.00 0.00 N ATOM 91 CZ ARG A 9 13.516 -6.197 8.349 1.00 0.00 C ATOM 92 NH1 ARG A 9 13.647 -6.553 9.619 1.00 0.00 N ATOM 93 NH2 ARG A 9 14.578 -6.198 7.552 1.00 0.00 N ATOM 0 H ARG A 9 8.100 -3.295 8.806 1.00 0.00 H new ATOM 0 HA ARG A 9 10.604 -3.197 9.987 1.00 0.00 H new ATOM 0 HB2 ARG A 9 9.817 -3.114 7.048 1.00 0.00 H new ATOM 0 HB3 ARG A 9 11.431 -3.468 7.633 1.00 0.00 H new ATOM 0 HG2 ARG A 9 9.084 -5.113 8.587 1.00 0.00 H new ATOM 0 HG3 ARG A 9 9.803 -5.431 7.021 1.00 0.00 H new ATOM 0 HD2 ARG A 9 11.332 -5.377 9.653 1.00 0.00 H new ATOM 0 HD3 ARG A 9 10.769 -6.833 8.856 1.00 0.00 H new ATOM 0 HE ARG A 9 12.262 -5.575 6.891 1.00 0.00 H new ATOM 0 HH11 ARG A 9 12.834 -6.555 10.235 1.00 0.00 H new ATOM 0 HH12 ARG A 9 14.561 -6.825 9.981 1.00 0.00 H new ATOM 0 HH21 ARG A 9 14.482 -5.926 6.574 1.00 0.00 H new ATOM 0 HH22 ARG A 9 15.490 -6.471 7.918 1.00 0.00 H new ATOM 107 N ASN A 10 11.938 -1.160 9.090 1.00 0.00 N ATOM 108 CA ASN A 10 12.571 0.146 8.951 1.00 0.00 C ATOM 109 C ASN A 10 13.313 0.252 7.621 1.00 0.00 C ATOM 110 O ASN A 10 13.047 1.148 6.820 1.00 0.00 O ATOM 111 CB ASN A 10 13.541 0.393 10.109 1.00 0.00 C ATOM 112 CG ASN A 10 12.971 -0.049 11.443 1.00 0.00 C ATOM 113 OD1 ASN A 10 11.755 -0.078 11.633 1.00 0.00 O ATOM 114 ND2 ASN A 10 13.850 -0.395 12.376 1.00 0.00 N ATOM 0 H ASN A 10 12.586 -1.925 9.280 1.00 0.00 H new ATOM 0 HA ASN A 10 11.789 0.905 8.973 1.00 0.00 H new ATOM 0 HB2 ASN A 10 14.472 -0.141 9.920 1.00 0.00 H new ATOM 0 HB3 ASN A 10 13.786 1.454 10.155 1.00 0.00 H new ATOM 0 HD21 ASN A 10 13.526 -0.700 13.294 1.00 0.00 H new ATOM 0 HD22 ASN A 10 14.849 -0.356 12.175 1.00 0.00 H new ATOM 121 N ARG A 11 14.243 -0.670 7.394 1.00 0.00 N ATOM 122 CA ARG A 11 15.024 -0.680 6.163 1.00 0.00 C ATOM 123 C ARG A 11 14.133 -0.968 4.957 1.00 0.00 C ATOM 124 O ARG A 11 13.120 -1.659 5.070 1.00 0.00 O ATOM 125 CB ARG A 11 16.138 -1.724 6.248 1.00 0.00 C ATOM 126 CG ARG A 11 16.814 -2.004 4.916 1.00 0.00 C ATOM 127 CD ARG A 11 17.773 -0.887 4.534 1.00 0.00 C ATOM 128 NE ARG A 11 19.059 -1.012 5.215 1.00 0.00 N ATOM 129 CZ ARG A 11 19.959 -1.944 4.921 1.00 0.00 C ATOM 130 NH1 ARG A 11 19.714 -2.827 3.963 1.00 0.00 N ATOM 131 NH2 ARG A 11 21.106 -1.993 5.585 1.00 0.00 N ATOM 0 H ARG A 11 14.474 -1.419 8.046 1.00 0.00 H new ATOM 0 HA ARG A 11 15.470 0.307 6.037 1.00 0.00 H new ATOM 0 HB2 ARG A 11 16.888 -1.385 6.962 1.00 0.00 H new ATOM 0 HB3 ARG A 11 15.724 -2.654 6.638 1.00 0.00 H new ATOM 0 HG2 ARG A 11 17.357 -2.948 4.973 1.00 0.00 H new ATOM 0 HG3 ARG A 11 16.058 -2.118 4.139 1.00 0.00 H new ATOM 0 HD2 ARG A 11 17.931 -0.898 3.456 1.00 0.00 H new ATOM 0 HD3 ARG A 11 17.325 0.076 4.780 1.00 0.00 H new ATOM 0 HE ARG A 11 19.278 -0.347 5.957 1.00 0.00 H new ATOM 0 HH11 ARG A 11 18.833 -2.792 3.450 1.00 0.00 H new ATOM 0 HH12 ARG A 11 20.406 -3.542 3.739 1.00 0.00 H new ATOM 0 HH21 ARG A 11 21.298 -1.315 6.322 1.00 0.00 H new ATOM 0 HH22 ARG A 11 21.796 -2.709 5.358 1.00 0.00 H new ATOM 145 N THR A 12 14.518 -0.432 3.803 1.00 0.00 N ATOM 146 CA THR A 12 13.754 -0.628 2.577 1.00 0.00 C ATOM 147 C THR A 12 14.124 -1.945 1.904 1.00 0.00 C ATOM 148 O THR A 12 15.144 -2.039 1.221 1.00 0.00 O ATOM 149 CB THR A 12 13.981 0.525 1.582 1.00 0.00 C ATOM 150 OG1 THR A 12 13.684 1.778 2.209 1.00 0.00 O ATOM 151 CG2 THR A 12 13.113 0.353 0.346 1.00 0.00 C ATOM 0 H THR A 12 15.354 0.141 3.692 1.00 0.00 H new ATOM 0 HA THR A 12 12.702 -0.650 2.861 1.00 0.00 H new ATOM 0 HB THR A 12 15.027 0.510 1.276 1.00 0.00 H new ATOM 0 HG1 THR A 12 13.832 2.507 1.571 1.00 0.00 H new ATOM 0 HG21 THR A 12 13.291 1.180 -0.342 1.00 0.00 H new ATOM 0 HG22 THR A 12 13.362 -0.588 -0.145 1.00 0.00 H new ATOM 0 HG23 THR A 12 12.063 0.344 0.637 1.00 0.00 H new ATOM 159 N SER A 13 13.290 -2.961 2.101 1.00 0.00 N ATOM 160 CA SER A 13 13.532 -4.274 1.516 1.00 0.00 C ATOM 161 C SER A 13 13.246 -4.261 0.017 1.00 0.00 C ATOM 162 O SER A 13 14.123 -4.548 -0.797 1.00 0.00 O ATOM 163 CB SER A 13 12.664 -5.330 2.204 1.00 0.00 C ATOM 164 OG SER A 13 13.228 -5.725 3.443 1.00 0.00 O ATOM 0 H SER A 13 12.440 -2.900 2.662 1.00 0.00 H new ATOM 0 HA SER A 13 14.582 -4.524 1.666 1.00 0.00 H new ATOM 0 HB2 SER A 13 11.662 -4.932 2.367 1.00 0.00 H new ATOM 0 HB3 SER A 13 12.560 -6.199 1.555 1.00 0.00 H new ATOM 0 HG SER A 13 12.654 -6.399 3.864 1.00 0.00 H new ATOM 170 N PHE A 14 12.009 -3.928 -0.340 1.00 0.00 N ATOM 171 CA PHE A 14 11.605 -3.878 -1.740 1.00 0.00 C ATOM 172 C PHE A 14 12.302 -2.733 -2.467 1.00 0.00 C ATOM 173 O PHE A 14 12.994 -1.920 -1.852 1.00 0.00 O ATOM 174 CB PHE A 14 10.088 -3.718 -1.849 1.00 0.00 C ATOM 175 CG PHE A 14 9.319 -4.827 -1.189 1.00 0.00 C ATOM 176 CD1 PHE A 14 9.088 -6.019 -1.855 1.00 0.00 C ATOM 177 CD2 PHE A 14 8.827 -4.676 0.097 1.00 0.00 C ATOM 178 CE1 PHE A 14 8.380 -7.041 -1.250 1.00 0.00 C ATOM 179 CE2 PHE A 14 8.119 -5.694 0.708 1.00 0.00 C ATOM 180 CZ PHE A 14 7.896 -6.879 0.033 1.00 0.00 C ATOM 0 H PHE A 14 11.270 -3.689 0.321 1.00 0.00 H new ATOM 0 HA PHE A 14 11.899 -4.816 -2.211 1.00 0.00 H new ATOM 0 HB2 PHE A 14 9.798 -2.768 -1.400 1.00 0.00 H new ATOM 0 HB3 PHE A 14 9.810 -3.671 -2.902 1.00 0.00 H new ATOM 0 HD1 PHE A 14 9.465 -6.152 -2.858 1.00 0.00 H new ATOM 0 HD2 PHE A 14 8.999 -3.752 0.629 1.00 0.00 H new ATOM 0 HE1 PHE A 14 8.206 -7.965 -1.781 1.00 0.00 H new ATOM 0 HE2 PHE A 14 7.741 -5.563 1.711 1.00 0.00 H new ATOM 0 HZ PHE A 14 7.344 -7.677 0.508 1.00 0.00 H new ATOM 190 N THR A 15 12.116 -2.674 -3.782 1.00 0.00 N ATOM 191 CA THR A 15 12.728 -1.630 -4.596 1.00 0.00 C ATOM 192 C THR A 15 11.669 -0.798 -5.309 1.00 0.00 C ATOM 193 O THR A 15 10.561 -1.271 -5.560 1.00 0.00 O ATOM 194 CB THR A 15 13.690 -2.224 -5.641 1.00 0.00 C ATOM 195 OG1 THR A 15 12.950 -2.712 -6.767 1.00 0.00 O ATOM 196 CG2 THR A 15 14.512 -3.355 -5.041 1.00 0.00 C ATOM 0 H THR A 15 11.546 -3.337 -4.307 1.00 0.00 H new ATOM 0 HA THR A 15 13.292 -0.990 -3.918 1.00 0.00 H new ATOM 0 HB THR A 15 14.369 -1.435 -5.966 1.00 0.00 H new ATOM 0 HG1 THR A 15 13.569 -3.087 -7.428 1.00 0.00 H new ATOM 0 HG21 THR A 15 15.184 -3.758 -5.799 1.00 0.00 H new ATOM 0 HG22 THR A 15 15.096 -2.975 -4.203 1.00 0.00 H new ATOM 0 HG23 THR A 15 13.845 -4.143 -4.691 1.00 0.00 H new ATOM 204 N GLN A 16 12.018 0.442 -5.635 1.00 0.00 N ATOM 205 CA GLN A 16 11.097 1.339 -6.321 1.00 0.00 C ATOM 206 C GLN A 16 10.522 0.679 -7.570 1.00 0.00 C ATOM 207 O GLN A 16 9.394 0.963 -7.971 1.00 0.00 O ATOM 208 CB GLN A 16 11.804 2.642 -6.697 1.00 0.00 C ATOM 209 CG GLN A 16 10.853 3.799 -6.955 1.00 0.00 C ATOM 210 CD GLN A 16 10.220 3.739 -8.332 1.00 0.00 C ATOM 211 OE1 GLN A 16 10.909 3.561 -9.337 1.00 0.00 O ATOM 212 NE2 GLN A 16 8.901 3.887 -8.384 1.00 0.00 N ATOM 0 H GLN A 16 12.932 0.848 -5.435 1.00 0.00 H new ATOM 0 HA GLN A 16 10.276 1.564 -5.641 1.00 0.00 H new ATOM 0 HB2 GLN A 16 12.489 2.918 -5.895 1.00 0.00 H new ATOM 0 HB3 GLN A 16 12.408 2.473 -7.589 1.00 0.00 H new ATOM 0 HG2 GLN A 16 10.068 3.795 -6.198 1.00 0.00 H new ATOM 0 HG3 GLN A 16 11.394 4.739 -6.849 1.00 0.00 H new ATOM 0 HE21 GLN A 16 8.370 4.032 -7.525 1.00 0.00 H new ATOM 0 HE22 GLN A 16 8.419 3.855 -9.283 1.00 0.00 H new ATOM 221 N GLU A 17 11.308 -0.203 -8.182 1.00 0.00 N ATOM 222 CA GLU A 17 10.877 -0.902 -9.387 1.00 0.00 C ATOM 223 C GLU A 17 9.721 -1.850 -9.082 1.00 0.00 C ATOM 224 O GLU A 17 8.870 -2.101 -9.934 1.00 0.00 O ATOM 225 CB GLU A 17 12.044 -1.682 -9.995 1.00 0.00 C ATOM 226 CG GLU A 17 12.943 -0.837 -10.884 1.00 0.00 C ATOM 227 CD GLU A 17 12.251 -0.392 -12.157 1.00 0.00 C ATOM 228 OE1 GLU A 17 12.084 -1.232 -13.066 1.00 0.00 O ATOM 229 OE2 GLU A 17 11.879 0.796 -12.246 1.00 0.00 O ATOM 0 H GLU A 17 12.245 -0.450 -7.863 1.00 0.00 H new ATOM 0 HA GLU A 17 10.533 -0.157 -10.105 1.00 0.00 H new ATOM 0 HB2 GLU A 17 12.642 -2.111 -9.191 1.00 0.00 H new ATOM 0 HB3 GLU A 17 11.650 -2.514 -10.578 1.00 0.00 H new ATOM 0 HG2 GLU A 17 13.275 0.041 -10.329 1.00 0.00 H new ATOM 0 HG3 GLU A 17 13.835 -1.408 -11.140 1.00 0.00 H new ATOM 236 N GLN A 18 9.700 -2.373 -7.860 1.00 0.00 N ATOM 237 CA GLN A 18 8.649 -3.295 -7.443 1.00 0.00 C ATOM 238 C GLN A 18 7.488 -2.543 -6.802 1.00 0.00 C ATOM 239 O GLN A 18 6.323 -2.835 -7.071 1.00 0.00 O ATOM 240 CB GLN A 18 9.208 -4.327 -6.461 1.00 0.00 C ATOM 241 CG GLN A 18 10.373 -5.128 -7.019 1.00 0.00 C ATOM 242 CD GLN A 18 11.050 -5.984 -5.967 1.00 0.00 C ATOM 243 OE1 GLN A 18 11.393 -5.504 -4.886 1.00 0.00 O ATOM 244 NE2 GLN A 18 11.246 -7.260 -6.276 1.00 0.00 N ATOM 0 H GLN A 18 10.397 -2.175 -7.142 1.00 0.00 H new ATOM 0 HA GLN A 18 8.279 -3.810 -8.330 1.00 0.00 H new ATOM 0 HB2 GLN A 18 9.531 -3.816 -5.554 1.00 0.00 H new ATOM 0 HB3 GLN A 18 8.411 -5.013 -6.174 1.00 0.00 H new ATOM 0 HG2 GLN A 18 10.016 -5.767 -7.827 1.00 0.00 H new ATOM 0 HG3 GLN A 18 11.104 -4.445 -7.452 1.00 0.00 H new ATOM 0 HE21 GLN A 18 10.946 -7.617 -7.183 1.00 0.00 H new ATOM 0 HE22 GLN A 18 11.696 -7.884 -5.606 1.00 0.00 H new ATOM 253 N ILE A 19 7.814 -1.573 -5.952 1.00 0.00 N ATOM 254 CA ILE A 19 6.798 -0.779 -5.274 1.00 0.00 C ATOM 255 C ILE A 19 5.848 -0.131 -6.276 1.00 0.00 C ATOM 256 O ILE A 19 4.646 -0.032 -6.031 1.00 0.00 O ATOM 257 CB ILE A 19 7.432 0.318 -4.399 1.00 0.00 C ATOM 258 CG1 ILE A 19 8.320 -0.307 -3.322 1.00 0.00 C ATOM 259 CG2 ILE A 19 6.351 1.181 -3.767 1.00 0.00 C ATOM 260 CD1 ILE A 19 8.881 0.698 -2.341 1.00 0.00 C ATOM 0 H ILE A 19 8.774 -1.319 -5.718 1.00 0.00 H new ATOM 0 HA ILE A 19 6.237 -1.462 -4.635 1.00 0.00 H new ATOM 0 HB ILE A 19 8.053 0.953 -5.031 1.00 0.00 H new ATOM 0 HG12 ILE A 19 7.743 -1.053 -2.775 1.00 0.00 H new ATOM 0 HG13 ILE A 19 9.145 -0.832 -3.803 1.00 0.00 H new ATOM 0 HG21 ILE A 19 6.814 1.952 -3.151 1.00 0.00 H new ATOM 0 HG22 ILE A 19 5.756 1.651 -4.550 1.00 0.00 H new ATOM 0 HG23 ILE A 19 5.706 0.559 -3.146 1.00 0.00 H new ATOM 0 HD11 ILE A 19 9.500 0.183 -1.607 1.00 0.00 H new ATOM 0 HD12 ILE A 19 9.486 1.430 -2.876 1.00 0.00 H new ATOM 0 HD13 ILE A 19 8.062 1.206 -1.832 1.00 0.00 H new ATOM 272 N GLU A 20 6.397 0.309 -7.403 1.00 0.00 N ATOM 273 CA GLU A 20 5.597 0.948 -8.442 1.00 0.00 C ATOM 274 C GLU A 20 4.501 0.009 -8.940 1.00 0.00 C ATOM 275 O GLU A 20 3.357 0.420 -9.130 1.00 0.00 O ATOM 276 CB GLU A 20 6.486 1.375 -9.611 1.00 0.00 C ATOM 277 CG GLU A 20 7.303 0.239 -10.203 1.00 0.00 C ATOM 278 CD GLU A 20 8.174 0.686 -11.360 1.00 0.00 C ATOM 279 OE1 GLU A 20 8.668 1.833 -11.324 1.00 0.00 O ATOM 280 OE2 GLU A 20 8.362 -0.111 -12.304 1.00 0.00 O ATOM 0 H GLU A 20 7.391 0.235 -7.620 1.00 0.00 H new ATOM 0 HA GLU A 20 5.127 1.832 -8.010 1.00 0.00 H new ATOM 0 HB2 GLU A 20 5.861 1.807 -10.393 1.00 0.00 H new ATOM 0 HB3 GLU A 20 7.163 2.160 -9.274 1.00 0.00 H new ATOM 0 HG2 GLU A 20 7.933 -0.194 -9.426 1.00 0.00 H new ATOM 0 HG3 GLU A 20 6.630 -0.548 -10.543 1.00 0.00 H new ATOM 287 N ALA A 21 4.862 -1.253 -9.149 1.00 0.00 N ATOM 288 CA ALA A 21 3.910 -2.250 -9.622 1.00 0.00 C ATOM 289 C ALA A 21 3.009 -2.732 -8.489 1.00 0.00 C ATOM 290 O ALA A 21 1.855 -3.096 -8.713 1.00 0.00 O ATOM 291 CB ALA A 21 4.646 -3.425 -10.251 1.00 0.00 C ATOM 0 H ALA A 21 5.806 -1.609 -8.998 1.00 0.00 H new ATOM 0 HA ALA A 21 3.279 -1.783 -10.378 1.00 0.00 H new ATOM 0 HB1 ALA A 21 3.923 -4.162 -10.600 1.00 0.00 H new ATOM 0 HB2 ALA A 21 5.241 -3.073 -11.094 1.00 0.00 H new ATOM 0 HB3 ALA A 21 5.302 -3.882 -9.510 1.00 0.00 H new ATOM 297 N LEU A 22 3.546 -2.732 -7.274 1.00 0.00 N ATOM 298 CA LEU A 22 2.790 -3.170 -6.105 1.00 0.00 C ATOM 299 C LEU A 22 1.757 -2.124 -5.701 1.00 0.00 C ATOM 300 O LEU A 22 0.767 -2.438 -5.042 1.00 0.00 O ATOM 301 CB LEU A 22 3.737 -3.447 -4.937 1.00 0.00 C ATOM 302 CG LEU A 22 4.458 -4.795 -4.960 1.00 0.00 C ATOM 303 CD1 LEU A 22 5.811 -4.689 -4.275 1.00 0.00 C ATOM 304 CD2 LEU A 22 3.604 -5.867 -4.298 1.00 0.00 C ATOM 0 H LEU A 22 4.500 -2.434 -7.072 1.00 0.00 H new ATOM 0 HA LEU A 22 2.265 -4.089 -6.365 1.00 0.00 H new ATOM 0 HB2 LEU A 22 4.488 -2.657 -4.909 1.00 0.00 H new ATOM 0 HB3 LEU A 22 3.168 -3.378 -4.010 1.00 0.00 H new ATOM 0 HG LEU A 22 4.623 -5.080 -5.999 1.00 0.00 H new ATOM 0 HD11 LEU A 22 6.309 -5.658 -4.301 1.00 0.00 H new ATOM 0 HD12 LEU A 22 6.424 -3.952 -4.793 1.00 0.00 H new ATOM 0 HD13 LEU A 22 5.671 -4.381 -3.239 1.00 0.00 H new ATOM 0 HD21 LEU A 22 4.132 -6.820 -4.323 1.00 0.00 H new ATOM 0 HD22 LEU A 22 3.408 -5.588 -3.263 1.00 0.00 H new ATOM 0 HD23 LEU A 22 2.659 -5.962 -4.833 1.00 0.00 H new ATOM 316 N GLU A 23 1.994 -0.879 -6.103 1.00 0.00 N ATOM 317 CA GLU A 23 1.082 0.213 -5.784 1.00 0.00 C ATOM 318 C GLU A 23 -0.037 0.307 -6.817 1.00 0.00 C ATOM 319 O GLU A 23 -1.196 0.545 -6.474 1.00 0.00 O ATOM 320 CB GLU A 23 1.843 1.540 -5.717 1.00 0.00 C ATOM 321 CG GLU A 23 2.446 1.827 -4.353 1.00 0.00 C ATOM 322 CD GLU A 23 2.623 3.311 -4.095 1.00 0.00 C ATOM 323 OE1 GLU A 23 1.614 4.045 -4.134 1.00 0.00 O ATOM 324 OE2 GLU A 23 3.772 3.737 -3.854 1.00 0.00 O ATOM 0 H GLU A 23 2.809 -0.602 -6.650 1.00 0.00 H new ATOM 0 HA GLU A 23 0.637 0.008 -4.810 1.00 0.00 H new ATOM 0 HB2 GLU A 23 2.639 1.531 -6.462 1.00 0.00 H new ATOM 0 HB3 GLU A 23 1.166 2.351 -5.984 1.00 0.00 H new ATOM 0 HG2 GLU A 23 1.806 1.401 -3.580 1.00 0.00 H new ATOM 0 HG3 GLU A 23 3.413 1.330 -4.275 1.00 0.00 H new ATOM 331 N LYS A 24 0.317 0.121 -8.084 1.00 0.00 N ATOM 332 CA LYS A 24 -0.654 0.184 -9.169 1.00 0.00 C ATOM 333 C LYS A 24 -1.744 -0.868 -8.985 1.00 0.00 C ATOM 334 O LYS A 24 -2.898 -0.648 -9.347 1.00 0.00 O ATOM 335 CB LYS A 24 0.041 -0.017 -10.517 1.00 0.00 C ATOM 336 CG LYS A 24 -0.662 0.674 -11.672 1.00 0.00 C ATOM 337 CD LYS A 24 0.212 0.711 -12.915 1.00 0.00 C ATOM 338 CE LYS A 24 -0.477 1.437 -14.060 1.00 0.00 C ATOM 339 NZ LYS A 24 0.177 1.159 -15.368 1.00 0.00 N ATOM 0 H LYS A 24 1.272 -0.075 -8.385 1.00 0.00 H new ATOM 0 HA LYS A 24 -1.118 1.170 -9.151 1.00 0.00 H new ATOM 0 HB2 LYS A 24 1.063 0.356 -10.449 1.00 0.00 H new ATOM 0 HB3 LYS A 24 0.105 -1.085 -10.728 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -1.593 0.154 -11.896 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -0.927 1.691 -11.382 1.00 0.00 H new ATOM 0 HD2 LYS A 24 1.155 1.207 -12.683 1.00 0.00 H new ATOM 0 HD3 LYS A 24 0.454 -0.307 -13.221 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -1.523 1.133 -14.105 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -0.465 2.510 -13.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -0.323 1.672 -16.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 1.168 1.472 -15.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 0.143 0.138 -15.563 1.00 0.00 H new ATOM 353 N GLU A 25 -1.366 -2.011 -8.420 1.00 0.00 N ATOM 354 CA GLU A 25 -2.313 -3.096 -8.189 1.00 0.00 C ATOM 355 C GLU A 25 -3.171 -2.817 -6.959 1.00 0.00 C ATOM 356 O GLU A 25 -4.292 -3.313 -6.845 1.00 0.00 O ATOM 357 CB GLU A 25 -1.568 -4.422 -8.013 1.00 0.00 C ATOM 358 CG GLU A 25 -2.489 -5.616 -7.822 1.00 0.00 C ATOM 359 CD GLU A 25 -3.408 -5.839 -9.007 1.00 0.00 C ATOM 360 OE1 GLU A 25 -4.461 -5.170 -9.074 1.00 0.00 O ATOM 361 OE2 GLU A 25 -3.075 -6.681 -9.867 1.00 0.00 O ATOM 0 H GLU A 25 -0.413 -2.209 -8.115 1.00 0.00 H new ATOM 0 HA GLU A 25 -2.967 -3.165 -9.059 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -0.939 -4.595 -8.886 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -0.904 -4.345 -7.152 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -1.888 -6.511 -7.659 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -3.089 -5.467 -6.924 1.00 0.00 H new ATOM 368 N PHE A 26 -2.638 -2.017 -6.042 1.00 0.00 N ATOM 369 CA PHE A 26 -3.354 -1.671 -4.820 1.00 0.00 C ATOM 370 C PHE A 26 -4.386 -0.578 -5.084 1.00 0.00 C ATOM 371 O PHE A 26 -5.511 -0.639 -4.589 1.00 0.00 O ATOM 372 CB PHE A 26 -2.372 -1.210 -3.740 1.00 0.00 C ATOM 373 CG PHE A 26 -3.031 -0.878 -2.433 1.00 0.00 C ATOM 374 CD1 PHE A 26 -3.853 0.231 -2.317 1.00 0.00 C ATOM 375 CD2 PHE A 26 -2.828 -1.674 -1.317 1.00 0.00 C ATOM 376 CE1 PHE A 26 -4.461 0.540 -1.115 1.00 0.00 C ATOM 377 CE2 PHE A 26 -3.435 -1.371 -0.112 1.00 0.00 C ATOM 378 CZ PHE A 26 -4.251 -0.262 -0.011 1.00 0.00 C ATOM 0 H PHE A 26 -1.712 -1.596 -6.122 1.00 0.00 H new ATOM 0 HA PHE A 26 -3.876 -2.562 -4.471 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -1.631 -1.993 -3.576 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -1.834 -0.333 -4.100 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -4.021 0.862 -3.177 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -2.188 -2.541 -1.389 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -5.100 1.408 -1.039 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -3.271 -2.001 0.749 1.00 0.00 H new ATOM 0 HZ PHE A 26 -4.724 -0.022 0.930 1.00 0.00 H new ATOM 388 N GLU A 27 -3.993 0.421 -5.869 1.00 0.00 N ATOM 389 CA GLU A 27 -4.883 1.527 -6.198 1.00 0.00 C ATOM 390 C GLU A 27 -6.172 1.018 -6.836 1.00 0.00 C ATOM 391 O GLU A 27 -7.200 1.696 -6.811 1.00 0.00 O ATOM 392 CB GLU A 27 -4.186 2.507 -7.144 1.00 0.00 C ATOM 393 CG GLU A 27 -4.030 1.980 -8.560 1.00 0.00 C ATOM 394 CD GLU A 27 -3.993 3.088 -9.595 1.00 0.00 C ATOM 395 OE1 GLU A 27 -3.461 4.174 -9.283 1.00 0.00 O ATOM 396 OE2 GLU A 27 -4.498 2.869 -10.716 1.00 0.00 O ATOM 0 H GLU A 27 -3.065 0.486 -6.288 1.00 0.00 H new ATOM 0 HA GLU A 27 -5.136 2.043 -5.272 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -4.753 3.437 -7.172 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -3.201 2.746 -6.744 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -3.113 1.395 -8.627 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -4.856 1.305 -8.785 1.00 0.00 H new ATOM 403 N ARG A 28 -6.109 -0.180 -7.408 1.00 0.00 N ATOM 404 CA ARG A 28 -7.270 -0.780 -8.054 1.00 0.00 C ATOM 405 C ARG A 28 -7.980 -1.746 -7.109 1.00 0.00 C ATOM 406 O ARG A 28 -9.207 -1.740 -7.005 1.00 0.00 O ATOM 407 CB ARG A 28 -6.848 -1.516 -9.328 1.00 0.00 C ATOM 408 CG ARG A 28 -7.976 -1.697 -10.329 1.00 0.00 C ATOM 409 CD ARG A 28 -7.443 -1.907 -11.737 1.00 0.00 C ATOM 410 NE ARG A 28 -6.529 -0.843 -12.141 1.00 0.00 N ATOM 411 CZ ARG A 28 -5.652 -0.964 -13.133 1.00 0.00 C ATOM 412 NH1 ARG A 28 -5.573 -2.097 -13.817 1.00 0.00 N ATOM 413 NH2 ARG A 28 -4.853 0.050 -13.440 1.00 0.00 N ATOM 0 H ARG A 28 -5.266 -0.754 -7.437 1.00 0.00 H new ATOM 0 HA ARG A 28 -7.962 0.020 -8.316 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -6.037 -0.965 -9.804 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -6.453 -2.495 -9.058 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -8.587 -2.552 -10.039 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -8.624 -0.821 -10.311 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -6.928 -2.866 -11.790 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -8.277 -1.953 -12.437 1.00 0.00 H new ATOM 0 HE ARG A 28 -6.565 0.042 -11.635 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -6.186 -2.878 -13.583 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -4.899 -2.188 -14.578 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -4.912 0.922 -12.915 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -4.180 -0.043 -14.201 1.00 0.00 H new ATOM 427 N THR A 29 -7.200 -2.572 -6.420 1.00 0.00 N ATOM 428 CA THR A 29 -7.754 -3.543 -5.485 1.00 0.00 C ATOM 429 C THR A 29 -6.824 -3.756 -4.297 1.00 0.00 C ATOM 430 O THR A 29 -5.630 -4.009 -4.467 1.00 0.00 O ATOM 431 CB THR A 29 -8.011 -4.899 -6.169 1.00 0.00 C ATOM 432 OG1 THR A 29 -8.579 -5.822 -5.232 1.00 0.00 O ATOM 433 CG2 THR A 29 -6.721 -5.474 -6.735 1.00 0.00 C ATOM 0 H THR A 29 -6.183 -2.588 -6.492 1.00 0.00 H new ATOM 0 HA THR A 29 -8.702 -3.136 -5.133 1.00 0.00 H new ATOM 0 HB THR A 29 -8.710 -4.739 -6.990 1.00 0.00 H new ATOM 0 HG1 THR A 29 -8.741 -6.681 -5.676 1.00 0.00 H new ATOM 0 HG21 THR A 29 -6.928 -6.431 -7.213 1.00 0.00 H new ATOM 0 HG22 THR A 29 -6.307 -4.784 -7.470 1.00 0.00 H new ATOM 0 HG23 THR A 29 -6.003 -5.619 -5.928 1.00 0.00 H new ATOM 441 N HIS A 30 -7.376 -3.652 -3.092 1.00 0.00 N ATOM 442 CA HIS A 30 -6.594 -3.834 -1.874 1.00 0.00 C ATOM 443 C HIS A 30 -6.395 -5.316 -1.573 1.00 0.00 C ATOM 444 O HIS A 30 -5.558 -5.685 -0.748 1.00 0.00 O ATOM 445 CB HIS A 30 -7.283 -3.150 -0.693 1.00 0.00 C ATOM 446 CG HIS A 30 -7.529 -1.688 -0.908 1.00 0.00 C ATOM 447 ND1 HIS A 30 -7.312 -0.903 -1.989 1.00 0.00 N flip ATOM 448 CD2 HIS A 30 -8.059 -0.864 0.063 1.00 0.00 C flip ATOM 449 CE1 HIS A 30 -7.712 0.367 -1.656 1.00 0.00 C flip ATOM 450 NE2 HIS A 30 -8.159 0.364 -0.413 1.00 0.00 N flip ATOM 0 H HIS A 30 -8.362 -3.443 -2.933 1.00 0.00 H new ATOM 0 HA HIS A 30 -5.616 -3.378 -2.028 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -8.235 -3.646 -0.501 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -6.670 -3.280 0.199 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -8.347 -1.174 1.057 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -7.668 1.229 -2.305 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -8.520 1.173 0.093 1.00 0.00 H new ATOM 459 N TYR A 31 -7.168 -6.161 -2.246 1.00 0.00 N ATOM 460 CA TYR A 31 -7.078 -7.602 -2.048 1.00 0.00 C ATOM 461 C TYR A 31 -6.967 -8.330 -3.384 1.00 0.00 C ATOM 462 O TYR A 31 -7.942 -8.859 -3.915 1.00 0.00 O ATOM 463 CB TYR A 31 -8.299 -8.110 -1.278 1.00 0.00 C ATOM 464 CG TYR A 31 -8.592 -7.323 -0.021 1.00 0.00 C ATOM 465 CD1 TYR A 31 -7.635 -7.190 0.977 1.00 0.00 C ATOM 466 CD2 TYR A 31 -9.826 -6.714 0.169 1.00 0.00 C ATOM 467 CE1 TYR A 31 -7.899 -6.474 2.128 1.00 0.00 C ATOM 468 CE2 TYR A 31 -10.098 -5.993 1.317 1.00 0.00 C ATOM 469 CZ TYR A 31 -9.131 -5.876 2.293 1.00 0.00 C ATOM 470 OH TYR A 31 -9.399 -5.162 3.438 1.00 0.00 O ATOM 0 H TYR A 31 -7.864 -5.872 -2.934 1.00 0.00 H new ATOM 0 HA TYR A 31 -6.179 -7.807 -1.467 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -9.171 -8.074 -1.931 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -8.142 -9.156 -1.014 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -6.668 -7.654 0.851 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -10.586 -6.805 -0.593 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -7.144 -6.383 2.895 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -11.062 -5.524 1.448 1.00 0.00 H new ATOM 0 HH TYR A 31 -10.311 -4.805 3.395 1.00 0.00 H new ATOM 480 N PRO A 32 -5.746 -8.358 -3.941 1.00 0.00 N ATOM 481 CA PRO A 32 -5.477 -9.019 -5.222 1.00 0.00 C ATOM 482 C PRO A 32 -5.573 -10.536 -5.123 1.00 0.00 C ATOM 483 O PRO A 32 -4.675 -11.192 -4.593 1.00 0.00 O ATOM 484 CB PRO A 32 -4.042 -8.593 -5.544 1.00 0.00 C ATOM 485 CG PRO A 32 -3.428 -8.295 -4.220 1.00 0.00 C ATOM 486 CD PRO A 32 -4.537 -7.747 -3.364 1.00 0.00 C ATOM 0 HA PRO A 32 -6.202 -8.739 -5.986 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -3.501 -9.385 -6.062 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -4.025 -7.718 -6.194 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -3.001 -9.194 -3.777 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -2.618 -7.573 -4.319 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -4.409 -8.021 -2.317 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -4.577 -6.659 -3.406 1.00 0.00 H new ATOM 494 N ASP A 33 -6.666 -11.090 -5.636 1.00 0.00 N ATOM 495 CA ASP A 33 -6.880 -12.532 -5.606 1.00 0.00 C ATOM 496 C ASP A 33 -5.644 -13.275 -6.104 1.00 0.00 C ATOM 497 O ASP A 33 -4.660 -12.658 -6.516 1.00 0.00 O ATOM 498 CB ASP A 33 -8.092 -12.908 -6.459 1.00 0.00 C ATOM 499 CG ASP A 33 -9.405 -12.588 -5.771 1.00 0.00 C ATOM 500 OD1 ASP A 33 -9.895 -11.450 -5.925 1.00 0.00 O ATOM 501 OD2 ASP A 33 -9.942 -13.476 -5.076 1.00 0.00 O ATOM 0 H ASP A 33 -7.418 -10.562 -6.078 1.00 0.00 H new ATOM 0 HA ASP A 33 -7.068 -12.824 -4.573 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -8.044 -12.376 -7.409 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -8.055 -13.973 -6.688 1.00 0.00 H new ATOM 506 N VAL A 34 -5.699 -14.602 -6.063 1.00 0.00 N ATOM 507 CA VAL A 34 -4.584 -15.428 -6.510 1.00 0.00 C ATOM 508 C VAL A 34 -4.193 -15.093 -7.945 1.00 0.00 C ATOM 509 O VAL A 34 -3.015 -15.121 -8.301 1.00 0.00 O ATOM 510 CB VAL A 34 -4.925 -16.927 -6.419 1.00 0.00 C ATOM 511 CG1 VAL A 34 -6.183 -17.239 -7.217 1.00 0.00 C ATOM 512 CG2 VAL A 34 -3.755 -17.770 -6.902 1.00 0.00 C ATOM 0 H VAL A 34 -6.504 -15.128 -5.725 1.00 0.00 H new ATOM 0 HA VAL A 34 -3.745 -15.213 -5.848 1.00 0.00 H new ATOM 0 HB VAL A 34 -5.115 -17.175 -5.375 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -6.408 -18.303 -7.141 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -7.018 -16.662 -6.820 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -6.025 -16.976 -8.263 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -4.014 -18.826 -6.831 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -3.531 -17.521 -7.939 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -2.881 -17.568 -6.283 1.00 0.00 H new ATOM 522 N PHE A 35 -5.189 -14.778 -8.766 1.00 0.00 N ATOM 523 CA PHE A 35 -4.950 -14.438 -10.164 1.00 0.00 C ATOM 524 C PHE A 35 -4.193 -13.118 -10.280 1.00 0.00 C ATOM 525 O PHE A 35 -3.604 -12.818 -11.319 1.00 0.00 O ATOM 526 CB PHE A 35 -6.275 -14.349 -10.924 1.00 0.00 C ATOM 527 CG PHE A 35 -6.733 -15.663 -11.488 1.00 0.00 C ATOM 528 CD1 PHE A 35 -5.916 -16.387 -12.342 1.00 0.00 C ATOM 529 CD2 PHE A 35 -7.979 -16.174 -11.166 1.00 0.00 C ATOM 530 CE1 PHE A 35 -6.334 -17.597 -12.862 1.00 0.00 C ATOM 531 CE2 PHE A 35 -8.403 -17.384 -11.684 1.00 0.00 C ATOM 532 CZ PHE A 35 -7.579 -18.096 -12.534 1.00 0.00 C ATOM 0 H PHE A 35 -6.170 -14.751 -8.487 1.00 0.00 H new ATOM 0 HA PHE A 35 -4.340 -15.226 -10.605 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -7.043 -13.963 -10.254 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -6.171 -13.631 -11.737 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -4.942 -16.001 -12.604 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -8.627 -15.621 -10.502 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -5.687 -18.152 -13.525 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -9.377 -17.772 -11.424 1.00 0.00 H new ATOM 0 HZ PHE A 35 -7.908 -19.041 -12.941 1.00 0.00 H new ATOM 542 N ALA A 36 -4.214 -12.334 -9.208 1.00 0.00 N ATOM 543 CA ALA A 36 -3.530 -11.047 -9.189 1.00 0.00 C ATOM 544 C ALA A 36 -2.127 -11.181 -8.605 1.00 0.00 C ATOM 545 O ALA A 36 -1.146 -10.758 -9.219 1.00 0.00 O ATOM 546 CB ALA A 36 -4.338 -10.031 -8.396 1.00 0.00 C ATOM 0 H ALA A 36 -4.697 -12.567 -8.341 1.00 0.00 H new ATOM 0 HA ALA A 36 -3.437 -10.697 -10.217 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -3.815 -9.075 -8.390 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -5.318 -9.906 -8.857 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -4.461 -10.383 -7.372 1.00 0.00 H new ATOM 552 N ARG A 37 -2.039 -11.768 -7.416 1.00 0.00 N ATOM 553 CA ARG A 37 -0.756 -11.954 -6.749 1.00 0.00 C ATOM 554 C ARG A 37 0.193 -12.779 -7.615 1.00 0.00 C ATOM 555 O ARG A 37 1.400 -12.545 -7.624 1.00 0.00 O ATOM 556 CB ARG A 37 -0.955 -12.642 -5.397 1.00 0.00 C ATOM 557 CG ARG A 37 -1.385 -11.693 -4.289 1.00 0.00 C ATOM 558 CD ARG A 37 -0.943 -12.194 -2.924 1.00 0.00 C ATOM 559 NE ARG A 37 -1.844 -13.216 -2.397 1.00 0.00 N ATOM 560 CZ ARG A 37 -3.080 -12.962 -1.980 1.00 0.00 C ATOM 561 NH1 ARG A 37 -3.558 -11.727 -2.027 1.00 0.00 N ATOM 562 NH2 ARG A 37 -3.839 -13.945 -1.513 1.00 0.00 N ATOM 0 H ARG A 37 -2.841 -12.123 -6.895 1.00 0.00 H new ATOM 0 HA ARG A 37 -0.313 -10.971 -6.588 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -1.705 -13.426 -5.504 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -0.024 -13.129 -5.106 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -0.961 -10.705 -4.470 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -2.469 -11.582 -4.304 1.00 0.00 H new ATOM 0 HD2 ARG A 37 0.065 -12.602 -2.997 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -0.898 -11.357 -2.228 1.00 0.00 H new ATOM 0 HE ARG A 37 -1.506 -14.177 -2.346 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -2.977 -10.968 -2.384 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -4.507 -11.535 -1.706 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -3.474 -14.897 -1.474 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -4.788 -13.749 -1.193 1.00 0.00 H new ATOM 576 N GLU A 38 -0.365 -13.742 -8.342 1.00 0.00 N ATOM 577 CA GLU A 38 0.432 -14.602 -9.210 1.00 0.00 C ATOM 578 C GLU A 38 0.989 -13.814 -10.392 1.00 0.00 C ATOM 579 O GLU A 38 2.201 -13.762 -10.602 1.00 0.00 O ATOM 580 CB GLU A 38 -0.409 -15.775 -9.715 1.00 0.00 C ATOM 581 CG GLU A 38 -0.573 -16.890 -8.697 1.00 0.00 C ATOM 582 CD GLU A 38 -1.065 -18.182 -9.319 1.00 0.00 C ATOM 583 OE1 GLU A 38 -0.796 -18.401 -10.519 1.00 0.00 O ATOM 584 OE2 GLU A 38 -1.717 -18.974 -8.608 1.00 0.00 O ATOM 0 H GLU A 38 -1.364 -13.946 -8.347 1.00 0.00 H new ATOM 0 HA GLU A 38 1.268 -14.989 -8.627 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -1.395 -15.408 -10.001 1.00 0.00 H new ATOM 0 HB3 GLU A 38 0.053 -16.181 -10.615 1.00 0.00 H new ATOM 0 HG2 GLU A 38 0.382 -17.070 -8.204 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -1.275 -16.572 -7.926 1.00 0.00 H new ATOM 591 N ARG A 39 0.095 -13.201 -11.161 1.00 0.00 N ATOM 592 CA ARG A 39 0.495 -12.418 -12.324 1.00 0.00 C ATOM 593 C ARG A 39 1.522 -11.359 -11.937 1.00 0.00 C ATOM 594 O ARG A 39 2.512 -11.152 -12.641 1.00 0.00 O ATOM 595 CB ARG A 39 -0.726 -11.752 -12.961 1.00 0.00 C ATOM 596 CG ARG A 39 -1.421 -12.619 -13.997 1.00 0.00 C ATOM 597 CD ARG A 39 -2.397 -11.809 -14.837 1.00 0.00 C ATOM 598 NE ARG A 39 -1.735 -11.147 -15.958 1.00 0.00 N ATOM 599 CZ ARG A 39 -1.370 -11.774 -17.070 1.00 0.00 C ATOM 600 NH1 ARG A 39 -1.602 -13.072 -17.211 1.00 0.00 N ATOM 601 NH2 ARG A 39 -0.773 -11.103 -18.047 1.00 0.00 N ATOM 0 H ARG A 39 -0.912 -13.232 -10.999 1.00 0.00 H new ATOM 0 HA ARG A 39 0.950 -13.094 -13.048 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -1.439 -11.495 -12.178 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -0.417 -10.818 -13.430 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -0.676 -13.080 -14.646 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -1.954 -13.428 -13.498 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -3.181 -12.465 -15.215 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -2.882 -11.061 -14.209 1.00 0.00 H new ATOM 0 HE ARG A 39 -1.543 -10.148 -15.882 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -2.062 -13.592 -16.464 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -1.320 -13.550 -18.067 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -0.594 -10.104 -17.944 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -0.493 -11.586 -18.901 1.00 0.00 H new ATOM 615 N LEU A 40 1.281 -10.689 -10.815 1.00 0.00 N ATOM 616 CA LEU A 40 2.186 -9.650 -10.335 1.00 0.00 C ATOM 617 C LEU A 40 3.503 -10.252 -9.859 1.00 0.00 C ATOM 618 O LEU A 40 4.569 -9.670 -10.054 1.00 0.00 O ATOM 619 CB LEU A 40 1.531 -8.863 -9.198 1.00 0.00 C ATOM 620 CG LEU A 40 2.011 -7.422 -9.016 1.00 0.00 C ATOM 621 CD1 LEU A 40 1.178 -6.471 -9.860 1.00 0.00 C ATOM 622 CD2 LEU A 40 1.955 -7.024 -7.548 1.00 0.00 C ATOM 0 H LEU A 40 0.467 -10.847 -10.221 1.00 0.00 H new ATOM 0 HA LEU A 40 2.396 -8.974 -11.164 1.00 0.00 H new ATOM 0 HB2 LEU A 40 0.454 -8.848 -9.367 1.00 0.00 H new ATOM 0 HB3 LEU A 40 1.700 -9.402 -8.266 1.00 0.00 H new ATOM 0 HG LEU A 40 3.046 -7.359 -9.351 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.534 -5.451 -9.717 1.00 0.00 H new ATOM 0 HD12 LEU A 40 1.269 -6.743 -10.912 1.00 0.00 H new ATOM 0 HD13 LEU A 40 0.133 -6.536 -9.557 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.300 -5.996 -7.436 1.00 0.00 H new ATOM 0 HD22 LEU A 40 0.929 -7.104 -7.188 1.00 0.00 H new ATOM 0 HD23 LEU A 40 2.596 -7.687 -6.967 1.00 0.00 H new ATOM 634 N ALA A 41 3.422 -11.423 -9.234 1.00 0.00 N ATOM 635 CA ALA A 41 4.608 -12.106 -8.734 1.00 0.00 C ATOM 636 C ALA A 41 5.725 -12.097 -9.772 1.00 0.00 C ATOM 637 O ALA A 41 6.900 -11.960 -9.432 1.00 0.00 O ATOM 638 CB ALA A 41 4.266 -13.534 -8.335 1.00 0.00 C ATOM 0 H ALA A 41 2.547 -11.918 -9.062 1.00 0.00 H new ATOM 0 HA ALA A 41 4.962 -11.570 -7.853 1.00 0.00 H new ATOM 0 HB1 ALA A 41 5.161 -14.032 -7.963 1.00 0.00 H new ATOM 0 HB2 ALA A 41 3.507 -13.521 -7.553 1.00 0.00 H new ATOM 0 HB3 ALA A 41 3.885 -14.073 -9.202 1.00 0.00 H new ATOM 644 N ALA A 42 5.351 -12.245 -11.039 1.00 0.00 N ATOM 645 CA ALA A 42 6.322 -12.254 -12.126 1.00 0.00 C ATOM 646 C ALA A 42 6.514 -10.854 -12.700 1.00 0.00 C ATOM 647 O ALA A 42 7.495 -10.586 -13.395 1.00 0.00 O ATOM 648 CB ALA A 42 5.882 -13.218 -13.218 1.00 0.00 C ATOM 0 H ALA A 42 4.383 -12.360 -11.338 1.00 0.00 H new ATOM 0 HA ALA A 42 7.278 -12.589 -11.724 1.00 0.00 H new ATOM 0 HB1 ALA A 42 6.616 -13.215 -14.024 1.00 0.00 H new ATOM 0 HB2 ALA A 42 5.801 -14.223 -12.805 1.00 0.00 H new ATOM 0 HB3 ALA A 42 4.913 -12.907 -13.609 1.00 0.00 H new ATOM 654 N LYS A 43 5.573 -9.964 -12.404 1.00 0.00 N ATOM 655 CA LYS A 43 5.640 -8.590 -12.890 1.00 0.00 C ATOM 656 C LYS A 43 6.729 -7.808 -12.162 1.00 0.00 C ATOM 657 O LYS A 43 7.288 -6.854 -12.705 1.00 0.00 O ATOM 658 CB LYS A 43 4.288 -7.896 -12.704 1.00 0.00 C ATOM 659 CG LYS A 43 4.272 -6.457 -13.188 1.00 0.00 C ATOM 660 CD LYS A 43 2.871 -6.012 -13.568 1.00 0.00 C ATOM 661 CE LYS A 43 2.769 -4.496 -13.648 1.00 0.00 C ATOM 662 NZ LYS A 43 1.409 -4.052 -14.059 1.00 0.00 N ATOM 0 H LYS A 43 4.755 -10.169 -11.830 1.00 0.00 H new ATOM 0 HA LYS A 43 5.885 -8.617 -13.952 1.00 0.00 H new ATOM 0 HB2 LYS A 43 3.523 -8.459 -13.239 1.00 0.00 H new ATOM 0 HB3 LYS A 43 4.020 -7.918 -11.648 1.00 0.00 H new ATOM 0 HG2 LYS A 43 4.662 -5.805 -12.406 1.00 0.00 H new ATOM 0 HG3 LYS A 43 4.933 -6.354 -14.048 1.00 0.00 H new ATOM 0 HD2 LYS A 43 2.598 -6.447 -14.529 1.00 0.00 H new ATOM 0 HD3 LYS A 43 2.158 -6.387 -12.834 1.00 0.00 H new ATOM 0 HE2 LYS A 43 3.014 -4.064 -12.678 1.00 0.00 H new ATOM 0 HE3 LYS A 43 3.504 -4.120 -14.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 1.381 -3.013 -14.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 1.185 -4.443 -14.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 0.710 -4.389 -13.367 1.00 0.00 H new ATOM 676 N ILE A 44 7.026 -8.219 -10.934 1.00 0.00 N ATOM 677 CA ILE A 44 8.050 -7.557 -10.135 1.00 0.00 C ATOM 678 C ILE A 44 9.088 -8.556 -9.636 1.00 0.00 C ATOM 679 O ILE A 44 10.075 -8.178 -9.004 1.00 0.00 O ATOM 680 CB ILE A 44 7.436 -6.825 -8.927 1.00 0.00 C ATOM 681 CG1 ILE A 44 6.360 -7.692 -8.270 1.00 0.00 C ATOM 682 CG2 ILE A 44 6.855 -5.487 -9.357 1.00 0.00 C ATOM 683 CD1 ILE A 44 5.505 -6.943 -7.273 1.00 0.00 C ATOM 0 H ILE A 44 6.573 -9.007 -10.471 1.00 0.00 H new ATOM 0 HA ILE A 44 8.534 -6.827 -10.784 1.00 0.00 H new ATOM 0 HB ILE A 44 8.223 -6.639 -8.196 1.00 0.00 H new ATOM 0 HG12 ILE A 44 5.718 -8.109 -9.046 1.00 0.00 H new ATOM 0 HG13 ILE A 44 6.839 -8.532 -7.767 1.00 0.00 H new ATOM 0 HG21 ILE A 44 6.425 -4.982 -8.492 1.00 0.00 H new ATOM 0 HG22 ILE A 44 7.644 -4.868 -9.783 1.00 0.00 H new ATOM 0 HG23 ILE A 44 6.079 -5.651 -10.104 1.00 0.00 H new ATOM 0 HD11 ILE A 44 4.764 -7.620 -6.847 1.00 0.00 H new ATOM 0 HD12 ILE A 44 6.136 -6.548 -6.477 1.00 0.00 H new ATOM 0 HD13 ILE A 44 4.997 -6.120 -7.775 1.00 0.00 H new ATOM 695 N ASP A 45 8.859 -9.833 -9.924 1.00 0.00 N ATOM 696 CA ASP A 45 9.777 -10.887 -9.508 1.00 0.00 C ATOM 697 C ASP A 45 9.714 -11.096 -7.998 1.00 0.00 C ATOM 698 O ASP A 45 10.745 -11.215 -7.334 1.00 0.00 O ATOM 699 CB ASP A 45 11.206 -10.545 -9.930 1.00 0.00 C ATOM 700 CG ASP A 45 12.052 -11.781 -10.163 1.00 0.00 C ATOM 701 OD1 ASP A 45 11.510 -12.784 -10.673 1.00 0.00 O ATOM 702 OD2 ASP A 45 13.256 -11.745 -9.837 1.00 0.00 O ATOM 0 H ASP A 45 8.046 -10.163 -10.444 1.00 0.00 H new ATOM 0 HA ASP A 45 9.475 -11.813 -9.998 1.00 0.00 H new ATOM 0 HB2 ASP A 45 11.180 -9.949 -10.842 1.00 0.00 H new ATOM 0 HB3 ASP A 45 11.672 -9.929 -9.160 1.00 0.00 H new ATOM 707 N LEU A 46 8.500 -11.138 -7.461 1.00 0.00 N ATOM 708 CA LEU A 46 8.303 -11.331 -6.028 1.00 0.00 C ATOM 709 C LEU A 46 7.414 -12.541 -5.759 1.00 0.00 C ATOM 710 O LEU A 46 6.522 -12.873 -6.540 1.00 0.00 O ATOM 711 CB LEU A 46 7.683 -10.079 -5.405 1.00 0.00 C ATOM 712 CG LEU A 46 8.652 -8.943 -5.074 1.00 0.00 C ATOM 713 CD1 LEU A 46 7.888 -7.678 -4.715 1.00 0.00 C ATOM 714 CD2 LEU A 46 9.580 -9.348 -3.939 1.00 0.00 C ATOM 0 H LEU A 46 7.637 -11.041 -7.996 1.00 0.00 H new ATOM 0 HA LEU A 46 9.277 -11.511 -5.573 1.00 0.00 H new ATOM 0 HB2 LEU A 46 6.925 -9.695 -6.088 1.00 0.00 H new ATOM 0 HB3 LEU A 46 7.169 -10.370 -4.489 1.00 0.00 H new ATOM 0 HG LEU A 46 9.258 -8.739 -5.957 1.00 0.00 H new ATOM 0 HD11 LEU A 46 8.594 -6.880 -4.482 1.00 0.00 H new ATOM 0 HD12 LEU A 46 7.265 -7.377 -5.558 1.00 0.00 H new ATOM 0 HD13 LEU A 46 7.257 -7.868 -3.847 1.00 0.00 H new ATOM 0 HD21 LEU A 46 10.263 -8.528 -3.717 1.00 0.00 H new ATOM 0 HD22 LEU A 46 8.990 -9.580 -3.052 1.00 0.00 H new ATOM 0 HD23 LEU A 46 10.153 -10.227 -4.234 1.00 0.00 H new ATOM 726 N PRO A 47 7.661 -13.215 -4.627 1.00 0.00 N ATOM 727 CA PRO A 47 6.891 -14.398 -4.226 1.00 0.00 C ATOM 728 C PRO A 47 5.462 -14.050 -3.825 1.00 0.00 C ATOM 729 O PRO A 47 5.224 -13.054 -3.143 1.00 0.00 O ATOM 730 CB PRO A 47 7.670 -14.937 -3.023 1.00 0.00 C ATOM 731 CG PRO A 47 8.381 -13.751 -2.470 1.00 0.00 C ATOM 732 CD PRO A 47 8.709 -12.876 -3.649 1.00 0.00 C ATOM 0 HA PRO A 47 6.790 -15.115 -5.041 1.00 0.00 H new ATOM 0 HB2 PRO A 47 7.001 -15.378 -2.284 1.00 0.00 H new ATOM 0 HB3 PRO A 47 8.372 -15.715 -3.322 1.00 0.00 H new ATOM 0 HG2 PRO A 47 7.755 -13.220 -1.753 1.00 0.00 H new ATOM 0 HG3 PRO A 47 9.287 -14.050 -1.942 1.00 0.00 H new ATOM 0 HD2 PRO A 47 8.685 -11.819 -3.384 1.00 0.00 H new ATOM 0 HD3 PRO A 47 9.705 -13.084 -4.039 1.00 0.00 H new ATOM 740 N GLU A 48 4.515 -14.880 -4.250 1.00 0.00 N ATOM 741 CA GLU A 48 3.109 -14.659 -3.933 1.00 0.00 C ATOM 742 C GLU A 48 2.920 -14.405 -2.441 1.00 0.00 C ATOM 743 O GLU A 48 1.897 -13.868 -2.015 1.00 0.00 O ATOM 744 CB GLU A 48 2.269 -15.863 -4.367 1.00 0.00 C ATOM 745 CG GLU A 48 0.841 -15.506 -4.741 1.00 0.00 C ATOM 746 CD GLU A 48 -0.091 -16.702 -4.691 1.00 0.00 C ATOM 747 OE1 GLU A 48 0.357 -17.816 -5.033 1.00 0.00 O ATOM 748 OE2 GLU A 48 -1.267 -16.523 -4.313 1.00 0.00 O ATOM 0 H GLU A 48 4.695 -15.711 -4.814 1.00 0.00 H new ATOM 0 HA GLU A 48 2.775 -13.777 -4.479 1.00 0.00 H new ATOM 0 HB2 GLU A 48 2.750 -16.342 -5.220 1.00 0.00 H new ATOM 0 HB3 GLU A 48 2.252 -16.594 -3.558 1.00 0.00 H new ATOM 0 HG2 GLU A 48 0.474 -14.735 -4.064 1.00 0.00 H new ATOM 0 HG3 GLU A 48 0.827 -15.081 -5.745 1.00 0.00 H new ATOM 755 N ALA A 49 3.915 -14.794 -1.650 1.00 0.00 N ATOM 756 CA ALA A 49 3.860 -14.608 -0.206 1.00 0.00 C ATOM 757 C ALA A 49 4.212 -13.175 0.176 1.00 0.00 C ATOM 758 O ALA A 49 3.594 -12.590 1.066 1.00 0.00 O ATOM 759 CB ALA A 49 4.797 -15.586 0.489 1.00 0.00 C ATOM 0 H ALA A 49 4.769 -15.240 -1.986 1.00 0.00 H new ATOM 0 HA ALA A 49 2.839 -14.804 0.122 1.00 0.00 H new ATOM 0 HB1 ALA A 49 4.745 -15.435 1.567 1.00 0.00 H new ATOM 0 HB2 ALA A 49 4.499 -16.607 0.251 1.00 0.00 H new ATOM 0 HB3 ALA A 49 5.818 -15.417 0.147 1.00 0.00 H new ATOM 765 N ARG A 50 5.210 -12.614 -0.500 1.00 0.00 N ATOM 766 CA ARG A 50 5.646 -11.250 -0.229 1.00 0.00 C ATOM 767 C ARG A 50 4.519 -10.257 -0.499 1.00 0.00 C ATOM 768 O ARG A 50 4.181 -9.438 0.357 1.00 0.00 O ATOM 769 CB ARG A 50 6.864 -10.901 -1.086 1.00 0.00 C ATOM 770 CG ARG A 50 8.189 -11.279 -0.441 1.00 0.00 C ATOM 771 CD ARG A 50 8.726 -10.152 0.428 1.00 0.00 C ATOM 772 NE ARG A 50 9.864 -10.581 1.237 1.00 0.00 N ATOM 773 CZ ARG A 50 11.087 -10.757 0.751 1.00 0.00 C ATOM 774 NH1 ARG A 50 11.331 -10.540 -0.535 1.00 0.00 N ATOM 775 NH2 ARG A 50 12.071 -11.148 1.550 1.00 0.00 N ATOM 0 H ARG A 50 5.732 -13.084 -1.240 1.00 0.00 H new ATOM 0 HA ARG A 50 5.921 -11.185 0.824 1.00 0.00 H new ATOM 0 HB2 ARG A 50 6.779 -11.408 -2.047 1.00 0.00 H new ATOM 0 HB3 ARG A 50 6.860 -9.830 -1.289 1.00 0.00 H new ATOM 0 HG2 ARG A 50 8.058 -12.176 0.164 1.00 0.00 H new ATOM 0 HG3 ARG A 50 8.916 -11.521 -1.216 1.00 0.00 H new ATOM 0 HD2 ARG A 50 9.025 -9.317 -0.205 1.00 0.00 H new ATOM 0 HD3 ARG A 50 7.933 -9.788 1.081 1.00 0.00 H new ATOM 0 HE ARG A 50 9.711 -10.755 2.230 1.00 0.00 H new ATOM 0 HH11 ARG A 50 10.578 -10.237 -1.153 1.00 0.00 H new ATOM 0 HH12 ARG A 50 12.271 -10.676 -0.906 1.00 0.00 H new ATOM 0 HH21 ARG A 50 11.889 -11.314 2.540 1.00 0.00 H new ATOM 0 HH22 ARG A 50 13.010 -11.283 1.175 1.00 0.00 H new ATOM 789 N ILE A 51 3.943 -10.333 -1.694 1.00 0.00 N ATOM 790 CA ILE A 51 2.856 -9.442 -2.077 1.00 0.00 C ATOM 791 C ILE A 51 1.812 -9.341 -0.970 1.00 0.00 C ATOM 792 O ILE A 51 1.397 -8.246 -0.593 1.00 0.00 O ATOM 793 CB ILE A 51 2.170 -9.914 -3.373 1.00 0.00 C ATOM 794 CG1 ILE A 51 3.143 -9.832 -4.550 1.00 0.00 C ATOM 795 CG2 ILE A 51 0.927 -9.082 -3.647 1.00 0.00 C ATOM 796 CD1 ILE A 51 2.784 -10.751 -5.697 1.00 0.00 C ATOM 0 H ILE A 51 4.212 -11.004 -2.414 1.00 0.00 H new ATOM 0 HA ILE A 51 3.298 -8.460 -2.247 1.00 0.00 H new ATOM 0 HB ILE A 51 1.867 -10.954 -3.249 1.00 0.00 H new ATOM 0 HG12 ILE A 51 3.174 -8.805 -4.914 1.00 0.00 H new ATOM 0 HG13 ILE A 51 4.146 -10.076 -4.200 1.00 0.00 H new ATOM 0 HG21 ILE A 51 0.453 -9.427 -4.566 1.00 0.00 H new ATOM 0 HG22 ILE A 51 0.228 -9.187 -2.817 1.00 0.00 H new ATOM 0 HG23 ILE A 51 1.207 -8.034 -3.755 1.00 0.00 H new ATOM 0 HD11 ILE A 51 3.517 -10.640 -6.496 1.00 0.00 H new ATOM 0 HD12 ILE A 51 2.781 -11.784 -5.349 1.00 0.00 H new ATOM 0 HD13 ILE A 51 1.795 -10.493 -6.074 1.00 0.00 H new ATOM 808 N GLN A 52 1.394 -10.492 -0.452 1.00 0.00 N ATOM 809 CA GLN A 52 0.399 -10.533 0.613 1.00 0.00 C ATOM 810 C GLN A 52 0.767 -9.571 1.738 1.00 0.00 C ATOM 811 O GLN A 52 -0.051 -8.754 2.163 1.00 0.00 O ATOM 812 CB GLN A 52 0.270 -11.954 1.164 1.00 0.00 C ATOM 813 CG GLN A 52 0.491 -13.034 0.118 1.00 0.00 C ATOM 814 CD GLN A 52 -0.294 -14.298 0.409 1.00 0.00 C ATOM 815 OE1 GLN A 52 -1.246 -14.286 1.189 1.00 0.00 O ATOM 816 NE2 GLN A 52 0.103 -15.399 -0.219 1.00 0.00 N ATOM 0 H GLN A 52 1.729 -11.407 -0.752 1.00 0.00 H new ATOM 0 HA GLN A 52 -0.559 -10.225 0.194 1.00 0.00 H new ATOM 0 HB2 GLN A 52 0.990 -12.089 1.971 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -0.722 -12.078 1.598 1.00 0.00 H new ATOM 0 HG2 GLN A 52 0.204 -12.650 -0.861 1.00 0.00 H new ATOM 0 HG3 GLN A 52 1.553 -13.274 0.068 1.00 0.00 H new ATOM 0 HE21 GLN A 52 0.898 -15.364 -0.858 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -0.387 -16.280 -0.063 1.00 0.00 H new ATOM 825 N VAL A 53 2.002 -9.672 2.218 1.00 0.00 N ATOM 826 CA VAL A 53 2.479 -8.811 3.293 1.00 0.00 C ATOM 827 C VAL A 53 2.448 -7.344 2.877 1.00 0.00 C ATOM 828 O VAL A 53 1.762 -6.529 3.493 1.00 0.00 O ATOM 829 CB VAL A 53 3.912 -9.182 3.718 1.00 0.00 C ATOM 830 CG1 VAL A 53 4.332 -8.380 4.939 1.00 0.00 C ATOM 831 CG2 VAL A 53 4.016 -10.676 3.988 1.00 0.00 C ATOM 0 H VAL A 53 2.691 -10.343 1.879 1.00 0.00 H new ATOM 0 HA VAL A 53 1.808 -8.961 4.139 1.00 0.00 H new ATOM 0 HB VAL A 53 4.591 -8.935 2.902 1.00 0.00 H new ATOM 0 HG11 VAL A 53 5.347 -8.656 5.224 1.00 0.00 H new ATOM 0 HG12 VAL A 53 4.298 -7.316 4.705 1.00 0.00 H new ATOM 0 HG13 VAL A 53 3.653 -8.592 5.765 1.00 0.00 H new ATOM 0 HG21 VAL A 53 5.035 -10.922 4.287 1.00 0.00 H new ATOM 0 HG22 VAL A 53 3.327 -10.950 4.787 1.00 0.00 H new ATOM 0 HG23 VAL A 53 3.761 -11.228 3.083 1.00 0.00 H new ATOM 841 N TRP A 54 3.195 -7.017 1.829 1.00 0.00 N ATOM 842 CA TRP A 54 3.253 -5.648 1.329 1.00 0.00 C ATOM 843 C TRP A 54 1.860 -5.028 1.278 1.00 0.00 C ATOM 844 O TRP A 54 1.686 -3.846 1.577 1.00 0.00 O ATOM 845 CB TRP A 54 3.890 -5.617 -0.061 1.00 0.00 C ATOM 846 CG TRP A 54 4.089 -4.230 -0.592 1.00 0.00 C ATOM 847 CD1 TRP A 54 5.245 -3.503 -0.574 1.00 0.00 C ATOM 848 CD2 TRP A 54 3.102 -3.403 -1.217 1.00 0.00 C ATOM 849 NE1 TRP A 54 5.037 -2.274 -1.151 1.00 0.00 N ATOM 850 CE2 TRP A 54 3.730 -2.187 -1.555 1.00 0.00 C ATOM 851 CE3 TRP A 54 1.750 -3.570 -1.528 1.00 0.00 C ATOM 852 CZ2 TRP A 54 3.051 -1.148 -2.184 1.00 0.00 C ATOM 853 CZ3 TRP A 54 1.077 -2.537 -2.153 1.00 0.00 C ATOM 854 CH2 TRP A 54 1.727 -1.339 -2.476 1.00 0.00 C ATOM 0 H TRP A 54 3.769 -7.681 1.309 1.00 0.00 H new ATOM 0 HA TRP A 54 3.866 -5.063 2.014 1.00 0.00 H new ATOM 0 HB2 TRP A 54 4.853 -6.125 -0.023 1.00 0.00 H new ATOM 0 HB3 TRP A 54 3.261 -6.177 -0.754 1.00 0.00 H new ATOM 0 HD1 TRP A 54 6.185 -3.844 -0.166 1.00 0.00 H new ATOM 0 HE1 TRP A 54 5.741 -1.544 -1.261 1.00 0.00 H new ATOM 0 HE3 TRP A 54 1.240 -4.490 -1.284 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 3.551 -0.224 -2.433 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 0.032 -2.656 -2.397 1.00 0.00 H new ATOM 0 HH2 TRP A 54 1.173 -0.551 -2.965 1.00 0.00 H new ATOM 865 N PHE A 55 0.873 -5.832 0.898 1.00 0.00 N ATOM 866 CA PHE A 55 -0.504 -5.361 0.807 1.00 0.00 C ATOM 867 C PHE A 55 -1.137 -5.259 2.192 1.00 0.00 C ATOM 868 O PHE A 55 -1.960 -4.380 2.447 1.00 0.00 O ATOM 869 CB PHE A 55 -1.329 -6.300 -0.075 1.00 0.00 C ATOM 870 CG PHE A 55 -1.310 -5.926 -1.530 1.00 0.00 C ATOM 871 CD1 PHE A 55 -0.175 -6.132 -2.297 1.00 0.00 C ATOM 872 CD2 PHE A 55 -2.428 -5.371 -2.130 1.00 0.00 C ATOM 873 CE1 PHE A 55 -0.154 -5.789 -3.635 1.00 0.00 C ATOM 874 CE2 PHE A 55 -2.414 -5.025 -3.469 1.00 0.00 C ATOM 875 CZ PHE A 55 -1.276 -5.235 -4.222 1.00 0.00 C ATOM 0 H PHE A 55 1.001 -6.813 0.648 1.00 0.00 H new ATOM 0 HA PHE A 55 -0.493 -4.368 0.358 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -0.950 -7.316 0.036 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -2.360 -6.304 0.278 1.00 0.00 H new ATOM 0 HD1 PHE A 55 0.704 -6.566 -1.844 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -3.321 -5.206 -1.546 1.00 0.00 H new ATOM 0 HE1 PHE A 55 0.738 -5.953 -4.222 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -3.292 -4.591 -3.925 1.00 0.00 H new ATOM 0 HZ PHE A 55 -1.263 -4.967 -5.268 1.00 0.00 H new ATOM 885 N SER A 56 -0.747 -6.165 3.082 1.00 0.00 N ATOM 886 CA SER A 56 -1.278 -6.182 4.440 1.00 0.00 C ATOM 887 C SER A 56 -0.878 -4.918 5.195 1.00 0.00 C ATOM 888 O SER A 56 -1.705 -4.283 5.846 1.00 0.00 O ATOM 889 CB SER A 56 -0.779 -7.418 5.191 1.00 0.00 C ATOM 890 OG SER A 56 -1.512 -7.617 6.387 1.00 0.00 O ATOM 0 H SER A 56 -0.065 -6.898 2.887 1.00 0.00 H new ATOM 0 HA SER A 56 -2.366 -6.219 4.378 1.00 0.00 H new ATOM 0 HB2 SER A 56 -0.872 -8.297 4.553 1.00 0.00 H new ATOM 0 HB3 SER A 56 0.280 -7.303 5.424 1.00 0.00 H new ATOM 0 HG SER A 56 -1.176 -8.414 6.848 1.00 0.00 H new ATOM 896 N ASN A 57 0.399 -4.561 5.103 1.00 0.00 N ATOM 897 CA ASN A 57 0.911 -3.373 5.778 1.00 0.00 C ATOM 898 C ASN A 57 0.296 -2.107 5.190 1.00 0.00 C ATOM 899 O ASN A 57 -0.092 -1.196 5.922 1.00 0.00 O ATOM 900 CB ASN A 57 2.436 -3.314 5.663 1.00 0.00 C ATOM 901 CG ASN A 57 3.128 -4.165 6.710 1.00 0.00 C ATOM 902 OD1 ASN A 57 3.412 -3.701 7.815 1.00 0.00 O ATOM 903 ND2 ASN A 57 3.403 -5.418 6.366 1.00 0.00 N ATOM 0 H ASN A 57 1.098 -5.077 4.568 1.00 0.00 H new ATOM 0 HA ASN A 57 0.635 -3.435 6.831 1.00 0.00 H new ATOM 0 HB2 ASN A 57 2.736 -3.649 4.670 1.00 0.00 H new ATOM 0 HB3 ASN A 57 2.765 -2.280 5.763 1.00 0.00 H new ATOM 0 HD21 ASN A 57 3.868 -6.038 7.029 1.00 0.00 H new ATOM 0 HD22 ASN A 57 3.149 -5.760 5.439 1.00 0.00 H new ATOM 910 N ARG A 58 0.209 -2.057 3.865 1.00 0.00 N ATOM 911 CA ARG A 58 -0.357 -0.902 3.179 1.00 0.00 C ATOM 912 C ARG A 58 -1.709 -0.523 3.779 1.00 0.00 C ATOM 913 O ARG A 58 -1.923 0.621 4.178 1.00 0.00 O ATOM 914 CB ARG A 58 -0.515 -1.195 1.686 1.00 0.00 C ATOM 915 CG ARG A 58 0.772 -1.028 0.895 1.00 0.00 C ATOM 916 CD ARG A 58 1.010 0.426 0.517 1.00 0.00 C ATOM 917 NE ARG A 58 2.336 0.633 -0.059 1.00 0.00 N ATOM 918 CZ ARG A 58 3.446 0.719 0.665 1.00 0.00 C ATOM 919 NH1 ARG A 58 3.390 0.615 1.985 1.00 0.00 N ATOM 920 NH2 ARG A 58 4.616 0.907 0.068 1.00 0.00 N ATOM 0 H ARG A 58 0.523 -2.803 3.245 1.00 0.00 H new ATOM 0 HA ARG A 58 0.327 -0.063 3.307 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -0.879 -2.215 1.561 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -1.275 -0.532 1.272 1.00 0.00 H new ATOM 0 HG2 ARG A 58 1.613 -1.394 1.485 1.00 0.00 H new ATOM 0 HG3 ARG A 58 0.727 -1.637 -0.008 1.00 0.00 H new ATOM 0 HD2 ARG A 58 0.251 0.743 -0.198 1.00 0.00 H new ATOM 0 HD3 ARG A 58 0.897 1.053 1.401 1.00 0.00 H new ATOM 0 HE ARG A 58 2.414 0.716 -1.073 1.00 0.00 H new ATOM 0 HH11 ARG A 58 2.493 0.468 2.447 1.00 0.00 H new ATOM 0 HH12 ARG A 58 4.244 0.681 2.539 1.00 0.00 H new ATOM 0 HH21 ARG A 58 4.663 0.986 -0.948 1.00 0.00 H new ATOM 0 HH22 ARG A 58 5.468 0.973 0.625 1.00 0.00 H new ATOM 934 N ARG A 59 -2.617 -1.492 3.838 1.00 0.00 N ATOM 935 CA ARG A 59 -3.948 -1.261 4.387 1.00 0.00 C ATOM 936 C ARG A 59 -3.874 -0.408 5.650 1.00 0.00 C ATOM 937 O ARG A 59 -4.739 0.431 5.896 1.00 0.00 O ATOM 938 CB ARG A 59 -4.634 -2.591 4.697 1.00 0.00 C ATOM 939 CG ARG A 59 -4.787 -3.495 3.483 1.00 0.00 C ATOM 940 CD ARG A 59 -4.970 -4.948 3.890 1.00 0.00 C ATOM 941 NE ARG A 59 -4.879 -5.852 2.747 1.00 0.00 N ATOM 942 CZ ARG A 59 -4.539 -7.133 2.848 1.00 0.00 C ATOM 943 NH1 ARG A 59 -4.262 -7.657 4.033 1.00 0.00 N ATOM 944 NH2 ARG A 59 -4.479 -7.893 1.762 1.00 0.00 N ATOM 0 H ARG A 59 -2.455 -2.445 3.512 1.00 0.00 H new ATOM 0 HA ARG A 59 -4.533 -0.725 3.640 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -4.061 -3.116 5.461 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -5.620 -2.392 5.118 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -5.644 -3.171 2.892 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -3.907 -3.402 2.846 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -4.212 -5.217 4.626 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -5.940 -5.070 4.372 1.00 0.00 H new ATOM 0 HE ARG A 59 -5.088 -5.480 1.820 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -4.309 -7.077 4.871 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -4.001 -8.640 4.107 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -4.694 -7.494 0.848 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -4.218 -8.876 1.841 1.00 0.00 H new ATOM 958 N ALA A 60 -2.834 -0.630 6.448 1.00 0.00 N ATOM 959 CA ALA A 60 -2.646 0.118 7.684 1.00 0.00 C ATOM 960 C ALA A 60 -2.373 1.591 7.399 1.00 0.00 C ATOM 961 O ALA A 60 -2.899 2.473 8.077 1.00 0.00 O ATOM 962 CB ALA A 60 -1.510 -0.483 8.498 1.00 0.00 C ATOM 0 H ALA A 60 -2.109 -1.322 6.260 1.00 0.00 H new ATOM 0 HA ALA A 60 -3.567 0.052 8.262 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -1.381 0.086 9.419 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -1.746 -1.519 8.742 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -0.588 -0.448 7.918 1.00 0.00 H new ATOM 968 N LYS A 61 -1.546 1.850 6.392 1.00 0.00 N ATOM 969 CA LYS A 61 -1.203 3.216 6.015 1.00 0.00 C ATOM 970 C LYS A 61 -2.358 3.883 5.274 1.00 0.00 C ATOM 971 O LYS A 61 -2.585 5.085 5.412 1.00 0.00 O ATOM 972 CB LYS A 61 0.052 3.226 5.140 1.00 0.00 C ATOM 973 CG LYS A 61 0.353 4.580 4.523 1.00 0.00 C ATOM 974 CD LYS A 61 1.061 4.439 3.186 1.00 0.00 C ATOM 975 CE LYS A 61 0.070 4.370 2.035 1.00 0.00 C ATOM 976 NZ LYS A 61 -0.246 5.720 1.492 1.00 0.00 N ATOM 0 H LYS A 61 -1.100 1.131 5.822 1.00 0.00 H new ATOM 0 HA LYS A 61 -1.007 3.779 6.927 1.00 0.00 H new ATOM 0 HB2 LYS A 61 0.906 2.912 5.741 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -0.065 2.491 4.343 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -0.576 5.133 4.387 1.00 0.00 H new ATOM 0 HG3 LYS A 61 0.974 5.162 5.205 1.00 0.00 H new ATOM 0 HD2 LYS A 61 1.733 5.284 3.038 1.00 0.00 H new ATOM 0 HD3 LYS A 61 1.676 3.539 3.192 1.00 0.00 H new ATOM 0 HE2 LYS A 61 0.479 3.746 1.241 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -0.848 3.891 2.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -1.232 5.739 1.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -0.118 6.433 2.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 0.390 5.932 0.697 1.00 0.00 H new ATOM 990 N TRP A 62 -3.083 3.095 4.489 1.00 0.00 N ATOM 991 CA TRP A 62 -4.216 3.610 3.727 1.00 0.00 C ATOM 992 C TRP A 62 -5.381 3.951 4.648 1.00 0.00 C ATOM 993 O TRP A 62 -6.035 4.981 4.483 1.00 0.00 O ATOM 994 CB TRP A 62 -4.659 2.587 2.680 1.00 0.00 C ATOM 995 CG TRP A 62 -5.814 3.054 1.845 1.00 0.00 C ATOM 996 CD1 TRP A 62 -5.756 3.867 0.750 1.00 0.00 C ATOM 997 CD2 TRP A 62 -7.196 2.737 2.040 1.00 0.00 C ATOM 998 NE1 TRP A 62 -7.020 4.074 0.252 1.00 0.00 N ATOM 999 CE2 TRP A 62 -7.920 3.391 1.025 1.00 0.00 C ATOM 1000 CE3 TRP A 62 -7.892 1.962 2.972 1.00 0.00 C ATOM 1001 CZ2 TRP A 62 -9.305 3.294 0.919 1.00 0.00 C ATOM 1002 CZ3 TRP A 62 -9.266 1.867 2.866 1.00 0.00 C ATOM 1003 CH2 TRP A 62 -9.961 2.529 1.845 1.00 0.00 C ATOM 0 H TRP A 62 -2.908 2.098 4.363 1.00 0.00 H new ATOM 0 HA TRP A 62 -3.898 4.522 3.222 1.00 0.00 H new ATOM 0 HB2 TRP A 62 -3.817 2.358 2.027 1.00 0.00 H new ATOM 0 HB3 TRP A 62 -4.934 1.660 3.182 1.00 0.00 H new ATOM 0 HD1 TRP A 62 -4.851 4.286 0.336 1.00 0.00 H new ATOM 0 HE1 TRP A 62 -7.250 4.644 -0.562 1.00 0.00 H new ATOM 0 HE3 TRP A 62 -7.365 1.447 3.761 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 -9.843 3.804 0.134 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 -9.814 1.272 3.582 1.00 0.00 H new ATOM 0 HH2 TRP A 62 -11.035 2.434 1.788 1.00 0.00 H new ATOM 1014 N ARG A 63 -5.637 3.081 5.619 1.00 0.00 N ATOM 1015 CA ARG A 63 -6.726 3.290 6.566 1.00 0.00 C ATOM 1016 C ARG A 63 -6.400 4.430 7.526 1.00 0.00 C ATOM 1017 O ARG A 63 -7.284 5.177 7.943 1.00 0.00 O ATOM 1018 CB ARG A 63 -7.000 2.007 7.354 1.00 0.00 C ATOM 1019 CG ARG A 63 -7.491 0.856 6.492 1.00 0.00 C ATOM 1020 CD ARG A 63 -7.395 -0.471 7.228 1.00 0.00 C ATOM 1021 NE ARG A 63 -8.549 -0.702 8.092 1.00 0.00 N ATOM 1022 CZ ARG A 63 -9.782 -0.896 7.635 1.00 0.00 C ATOM 1023 NH1 ARG A 63 -10.018 -0.888 6.331 1.00 0.00 N ATOM 1024 NH2 ARG A 63 -10.781 -1.100 8.484 1.00 0.00 N ATOM 0 H ARG A 63 -5.105 2.224 5.771 1.00 0.00 H new ATOM 0 HA ARG A 63 -7.619 3.558 6.001 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -6.087 1.703 7.865 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -7.743 2.215 8.124 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -8.525 1.036 6.197 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -6.902 0.809 5.576 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -7.316 -1.282 6.504 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -6.484 -0.488 7.827 1.00 0.00 H new ATOM 0 HE ARG A 63 -8.401 -0.715 9.101 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -9.252 -0.733 5.675 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -10.965 -1.037 5.983 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -10.603 -1.108 9.488 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -11.727 -1.249 8.132 1.00 0.00 H new ATOM 1038 N ARG A 64 -5.123 4.555 7.874 1.00 0.00 N ATOM 1039 CA ARG A 64 -4.680 5.602 8.787 1.00 0.00 C ATOM 1040 C ARG A 64 -4.628 6.953 8.080 1.00 0.00 C ATOM 1041 O ARG A 64 -4.991 7.978 8.655 1.00 0.00 O ATOM 1042 CB ARG A 64 -3.302 5.261 9.359 1.00 0.00 C ATOM 1043 CG ARG A 64 -2.148 5.792 8.526 1.00 0.00 C ATOM 1044 CD ARG A 64 -0.808 5.520 9.193 1.00 0.00 C ATOM 1045 NE ARG A 64 -0.536 6.459 10.277 1.00 0.00 N ATOM 1046 CZ ARG A 64 0.483 6.331 11.121 1.00 0.00 C ATOM 1047 NH1 ARG A 64 1.320 5.311 11.005 1.00 0.00 N ATOM 1048 NH2 ARG A 64 0.665 7.227 12.083 1.00 0.00 N ATOM 0 H ARG A 64 -4.378 3.945 7.538 1.00 0.00 H new ATOM 0 HA ARG A 64 -5.399 5.665 9.603 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -3.227 5.666 10.368 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -3.211 4.178 9.442 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -2.166 5.328 7.540 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -2.270 6.865 8.376 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -0.797 4.502 9.584 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -0.013 5.584 8.450 1.00 0.00 H new ATOM 0 HE ARG A 64 -1.162 7.256 10.393 1.00 0.00 H new ATOM 0 HH11 ARG A 64 1.184 4.621 10.266 1.00 0.00 H new ATOM 0 HH12 ARG A 64 2.101 5.216 11.654 1.00 0.00 H new ATOM 0 HH21 ARG A 64 0.023 8.014 12.175 1.00 0.00 H new ATOM 0 HH22 ARG A 64 1.447 7.128 12.730 1.00 0.00 H new ATOM 1062 N GLU A 65 -4.172 6.945 6.831 1.00 0.00 N ATOM 1063 CA GLU A 65 -4.071 8.171 6.048 1.00 0.00 C ATOM 1064 C GLU A 65 -5.455 8.698 5.681 1.00 0.00 C ATOM 1065 O GLU A 65 -5.781 9.853 5.949 1.00 0.00 O ATOM 1066 CB GLU A 65 -3.254 7.924 4.778 1.00 0.00 C ATOM 1067 CG GLU A 65 -1.763 8.158 4.957 1.00 0.00 C ATOM 1068 CD GLU A 65 -1.088 8.625 3.683 1.00 0.00 C ATOM 1069 OE1 GLU A 65 -1.141 9.839 3.395 1.00 0.00 O ATOM 1070 OE2 GLU A 65 -0.507 7.778 2.973 1.00 0.00 O ATOM 0 H GLU A 65 -3.867 6.104 6.340 1.00 0.00 H new ATOM 0 HA GLU A 65 -3.566 8.921 6.657 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -3.415 6.898 4.447 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -3.623 8.576 3.986 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -1.607 8.901 5.739 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -1.292 7.235 5.296 1.00 0.00 H new ATOM 1077 N GLU A 66 -6.265 7.840 5.066 1.00 0.00 N ATOM 1078 CA GLU A 66 -7.613 8.220 4.662 1.00 0.00 C ATOM 1079 C GLU A 66 -8.233 9.184 5.670 1.00 0.00 C ATOM 1080 O GLU A 66 -8.980 10.090 5.301 1.00 0.00 O ATOM 1081 CB GLU A 66 -8.495 6.978 4.519 1.00 0.00 C ATOM 1082 CG GLU A 66 -9.619 7.141 3.509 1.00 0.00 C ATOM 1083 CD GLU A 66 -10.212 8.537 3.519 1.00 0.00 C ATOM 1084 OE1 GLU A 66 -9.697 9.405 2.784 1.00 0.00 O ATOM 1085 OE2 GLU A 66 -11.192 8.760 4.259 1.00 0.00 O ATOM 0 H GLU A 66 -6.011 6.879 4.837 1.00 0.00 H new ATOM 0 HA GLU A 66 -7.547 8.724 3.698 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -7.873 6.133 4.224 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -8.924 6.734 5.491 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -9.242 6.917 2.511 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -10.403 6.415 3.723 1.00 0.00 H new ATOM 1092 N LYS A 67 -7.916 8.981 6.944 1.00 0.00 N ATOM 1093 CA LYS A 67 -8.439 9.832 8.007 1.00 0.00 C ATOM 1094 C LYS A 67 -7.728 11.182 8.023 1.00 0.00 C ATOM 1095 O LYS A 67 -8.366 12.231 7.929 1.00 0.00 O ATOM 1096 CB LYS A 67 -8.281 9.143 9.365 1.00 0.00 C ATOM 1097 CG LYS A 67 -9.323 9.564 10.386 1.00 0.00 C ATOM 1098 CD LYS A 67 -8.876 10.788 11.167 1.00 0.00 C ATOM 1099 CE LYS A 67 -8.058 10.401 12.389 1.00 0.00 C ATOM 1100 NZ LYS A 67 -6.685 9.956 12.021 1.00 0.00 N ATOM 0 H LYS A 67 -7.300 8.235 7.266 1.00 0.00 H new ATOM 0 HA LYS A 67 -9.498 10.002 7.814 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -8.338 8.064 9.224 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -7.289 9.361 9.760 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -10.264 9.778 9.880 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -9.512 8.741 11.075 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -8.283 11.436 10.522 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -9.749 11.361 11.479 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -7.994 11.252 13.067 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -8.566 9.601 12.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -6.051 10.074 12.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -6.708 8.954 11.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -6.336 10.529 11.226 1.00 0.00 H new ATOM 1114 N LEU A 68 -6.406 11.146 8.144 1.00 0.00 N ATOM 1115 CA LEU A 68 -5.608 12.368 8.171 1.00 0.00 C ATOM 1116 C LEU A 68 -6.024 13.316 7.051 1.00 0.00 C ATOM 1117 O LEU A 68 -6.116 14.527 7.251 1.00 0.00 O ATOM 1118 CB LEU A 68 -4.121 12.032 8.043 1.00 0.00 C ATOM 1119 CG LEU A 68 -3.578 11.004 9.037 1.00 0.00 C ATOM 1120 CD1 LEU A 68 -2.244 10.453 8.558 1.00 0.00 C ATOM 1121 CD2 LEU A 68 -3.436 11.622 10.420 1.00 0.00 C ATOM 0 H LEU A 68 -5.864 10.286 8.225 1.00 0.00 H new ATOM 0 HA LEU A 68 -5.782 12.865 9.126 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -3.938 11.664 7.034 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -3.550 12.953 8.155 1.00 0.00 H new ATOM 0 HG LEU A 68 -4.287 10.179 9.101 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -1.872 9.723 9.277 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -2.376 9.972 7.589 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -1.526 11.268 8.464 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -3.048 10.876 11.114 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -2.748 12.466 10.373 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -4.410 11.968 10.766 1.00 0.00 H new ATOM 1133 N ARG A 69 -6.279 12.757 5.873 1.00 0.00 N ATOM 1134 CA ARG A 69 -6.687 13.551 4.721 1.00 0.00 C ATOM 1135 C ARG A 69 -7.872 14.447 5.071 1.00 0.00 C ATOM 1136 O ARG A 69 -7.945 15.595 4.636 1.00 0.00 O ATOM 1137 CB ARG A 69 -7.053 12.639 3.549 1.00 0.00 C ATOM 1138 CG ARG A 69 -7.093 13.357 2.209 1.00 0.00 C ATOM 1139 CD ARG A 69 -7.306 12.382 1.061 1.00 0.00 C ATOM 1140 NE ARG A 69 -8.714 12.042 0.885 1.00 0.00 N ATOM 1141 CZ ARG A 69 -9.175 11.315 -0.127 1.00 0.00 C ATOM 1142 NH1 ARG A 69 -8.341 10.852 -1.048 1.00 0.00 N ATOM 1143 NH2 ARG A 69 -10.471 11.048 -0.217 1.00 0.00 N ATOM 0 H ARG A 69 -6.210 11.756 5.691 1.00 0.00 H new ATOM 0 HA ARG A 69 -5.847 14.183 4.432 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -6.331 11.824 3.494 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -8.027 12.189 3.740 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -7.895 14.095 2.214 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -6.160 13.900 2.058 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -6.921 12.818 0.139 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -6.734 11.473 1.247 1.00 0.00 H new ATOM 0 HE ARG A 69 -9.382 12.381 1.578 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -7.343 11.054 -0.980 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -8.697 10.294 -1.824 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -11.115 11.401 0.491 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -10.824 10.490 -0.994 1.00 0.00 H new ATOM 1157 N ASN A 70 -8.797 13.914 5.862 1.00 0.00 N ATOM 1158 CA ASN A 70 -9.979 14.664 6.270 1.00 0.00 C ATOM 1159 C ASN A 70 -9.597 15.829 7.178 1.00 0.00 C ATOM 1160 O ASN A 70 -10.244 16.876 7.165 1.00 0.00 O ATOM 1161 CB ASN A 70 -10.969 13.745 6.989 1.00 0.00 C ATOM 1162 CG ASN A 70 -12.328 14.392 7.174 1.00 0.00 C ATOM 1163 OD1 ASN A 70 -12.480 15.602 7.005 1.00 0.00 O ATOM 1164 ND2 ASN A 70 -13.324 13.587 7.524 1.00 0.00 N ATOM 0 H ASN A 70 -8.751 12.965 6.233 1.00 0.00 H new ATOM 0 HA ASN A 70 -10.452 15.065 5.374 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -11.083 12.822 6.420 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -10.564 13.471 7.963 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -14.261 13.966 7.664 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -13.152 12.590 7.653 1.00 0.00 H new ATOM 1171 N GLN A 71 -8.543 15.637 7.964 1.00 0.00 N ATOM 1172 CA GLN A 71 -8.075 16.672 8.878 1.00 0.00 C ATOM 1173 C GLN A 71 -7.533 17.874 8.110 1.00 0.00 C ATOM 1174 O GLN A 71 -7.302 18.938 8.684 1.00 0.00 O ATOM 1175 CB GLN A 71 -6.993 16.114 9.804 1.00 0.00 C ATOM 1176 CG GLN A 71 -7.396 14.825 10.502 1.00 0.00 C ATOM 1177 CD GLN A 71 -8.094 15.072 11.825 1.00 0.00 C ATOM 1178 OE1 GLN A 71 -7.700 15.948 12.594 1.00 0.00 O ATOM 1179 NE2 GLN A 71 -9.140 14.300 12.096 1.00 0.00 N ATOM 0 H GLN A 71 -7.997 14.775 7.986 1.00 0.00 H new ATOM 0 HA GLN A 71 -8.923 17.000 9.478 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -6.087 15.936 9.225 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -6.748 16.864 10.556 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -8.055 14.253 9.849 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -6.509 14.215 10.672 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -9.433 13.585 11.430 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -9.651 14.422 12.970 1.00 0.00 H new ATOM 1188 N ARG A 72 -7.331 17.695 6.808 1.00 0.00 N ATOM 1189 CA ARG A 72 -6.814 18.764 5.962 1.00 0.00 C ATOM 1190 C ARG A 72 -7.914 19.330 5.068 1.00 0.00 C ATOM 1191 O ARG A 72 -7.636 19.942 4.038 1.00 0.00 O ATOM 1192 CB ARG A 72 -5.658 18.248 5.102 1.00 0.00 C ATOM 1193 CG ARG A 72 -4.695 19.337 4.661 1.00 0.00 C ATOM 1194 CD ARG A 72 -3.778 19.764 5.798 1.00 0.00 C ATOM 1195 NE ARG A 72 -2.763 20.716 5.354 1.00 0.00 N ATOM 1196 CZ ARG A 72 -1.946 21.358 6.183 1.00 0.00 C ATOM 1197 NH1 ARG A 72 -2.025 21.150 7.490 1.00 0.00 N ATOM 1198 NH2 ARG A 72 -1.048 22.209 5.703 1.00 0.00 N ATOM 0 H ARG A 72 -7.517 16.821 6.317 1.00 0.00 H new ATOM 0 HA ARG A 72 -6.449 19.562 6.609 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -5.107 17.493 5.663 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -6.065 17.755 4.219 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -4.096 18.978 3.824 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -5.258 20.199 4.303 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -4.372 20.213 6.594 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -3.291 18.885 6.220 1.00 0.00 H new ATOM 0 HE ARG A 72 -2.677 20.898 4.354 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -2.714 20.496 7.862 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -1.397 21.644 8.124 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -0.985 22.371 4.698 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -0.421 22.702 6.339 1.00 0.00 H new ATOM 1212 N ARG A 73 -9.163 19.118 5.471 1.00 0.00 N ATOM 1213 CA ARG A 73 -10.304 19.605 4.706 1.00 0.00 C ATOM 1214 C ARG A 73 -10.012 19.568 3.209 1.00 0.00 C ATOM 1215 O ARG A 73 -10.479 20.421 2.455 1.00 0.00 O ATOM 1216 CB ARG A 73 -10.660 21.031 5.132 1.00 0.00 C ATOM 1217 CG ARG A 73 -9.499 22.007 5.022 1.00 0.00 C ATOM 1218 CD ARG A 73 -9.244 22.409 3.578 1.00 0.00 C ATOM 1219 NE ARG A 73 -8.468 23.643 3.484 1.00 0.00 N ATOM 1220 CZ ARG A 73 -8.938 24.835 3.833 1.00 0.00 C ATOM 1221 NH1 ARG A 73 -10.174 24.954 4.298 1.00 0.00 N ATOM 1222 NH2 ARG A 73 -8.171 25.913 3.718 1.00 0.00 N ATOM 0 H ARG A 73 -9.410 18.613 6.322 1.00 0.00 H new ATOM 0 HA ARG A 73 -11.151 18.950 4.909 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -11.485 21.390 4.517 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -11.014 21.016 6.163 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -9.712 22.896 5.616 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -8.600 21.553 5.439 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -8.713 21.606 3.066 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -10.196 22.539 3.064 1.00 0.00 H new ATOM 0 HE ARG A 73 -7.513 23.586 3.131 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -10.767 24.129 4.388 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -10.532 25.871 4.565 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -7.219 25.826 3.361 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -8.534 26.828 3.986 1.00 0.00 H new ATOM 1236 N GLN A 74 -9.235 18.575 2.788 1.00 0.00 N ATOM 1237 CA GLN A 74 -8.879 18.428 1.381 1.00 0.00 C ATOM 1238 C GLN A 74 -9.969 17.682 0.619 1.00 0.00 C ATOM 1239 O GLN A 74 -10.493 18.176 -0.379 1.00 0.00 O ATOM 1240 CB GLN A 74 -7.547 17.689 1.245 1.00 0.00 C ATOM 1241 CG GLN A 74 -6.912 17.830 -0.129 1.00 0.00 C ATOM 1242 CD GLN A 74 -5.546 17.176 -0.210 1.00 0.00 C ATOM 1243 OE1 GLN A 74 -5.189 16.351 0.632 1.00 0.00 O ATOM 1244 NE2 GLN A 74 -4.774 17.542 -1.226 1.00 0.00 N ATOM 0 H GLN A 74 -8.840 17.861 3.400 1.00 0.00 H new ATOM 0 HA GLN A 74 -8.779 19.425 0.951 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -6.854 18.065 1.997 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -7.704 16.631 1.457 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -7.569 17.385 -0.876 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -6.820 18.888 -0.376 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -5.110 18.229 -1.900 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -3.844 17.136 -1.332 1.00 0.00 H new ATOM 1253 N SER A 75 -10.306 16.487 1.096 1.00 0.00 N ATOM 1254 CA SER A 75 -11.330 15.670 0.457 1.00 0.00 C ATOM 1255 C SER A 75 -12.301 15.109 1.492 1.00 0.00 C ATOM 1256 O SER A 75 -11.968 14.986 2.670 1.00 0.00 O ATOM 1257 CB SER A 75 -10.684 14.524 -0.325 1.00 0.00 C ATOM 1258 OG SER A 75 -10.025 15.006 -1.484 1.00 0.00 O ATOM 0 H SER A 75 -9.884 16.064 1.923 1.00 0.00 H new ATOM 0 HA SER A 75 -11.887 16.304 -0.233 1.00 0.00 H new ATOM 0 HB2 SER A 75 -9.971 14.001 0.312 1.00 0.00 H new ATOM 0 HB3 SER A 75 -11.446 13.799 -0.611 1.00 0.00 H new ATOM 0 HG SER A 75 -9.619 14.255 -1.966 1.00 0.00 H new ATOM 1264 N GLY A 76 -13.506 14.772 1.041 1.00 0.00 N ATOM 1265 CA GLY A 76 -14.508 14.229 1.939 1.00 0.00 C ATOM 1266 C GLY A 76 -15.885 14.174 1.307 1.00 0.00 C ATOM 1267 O GLY A 76 -16.092 14.624 0.181 1.00 0.00 O ATOM 0 H GLY A 76 -13.806 14.865 0.070 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -14.212 13.226 2.245 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -14.550 14.838 2.842 1.00 0.00 H new ATOM 1271 N PRO A 77 -16.856 13.612 2.042 1.00 0.00 N ATOM 1272 CA PRO A 77 -18.237 13.486 1.566 1.00 0.00 C ATOM 1273 C PRO A 77 -18.946 14.833 1.482 1.00 0.00 C ATOM 1274 O PRO A 77 -19.145 15.503 2.496 1.00 0.00 O ATOM 1275 CB PRO A 77 -18.897 12.597 2.623 1.00 0.00 C ATOM 1276 CG PRO A 77 -18.090 12.814 3.857 1.00 0.00 C ATOM 1277 CD PRO A 77 -16.681 13.054 3.393 1.00 0.00 C ATOM 0 HA PRO A 77 -18.285 13.077 0.557 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -19.940 12.874 2.778 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -18.886 11.549 2.322 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -18.465 13.666 4.424 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -18.142 11.946 4.515 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -16.155 13.748 4.049 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -16.102 12.131 3.374 1.00 0.00 H new ATOM 1285 N SER A 78 -19.327 15.222 0.271 1.00 0.00 N ATOM 1286 CA SER A 78 -20.012 16.491 0.056 1.00 0.00 C ATOM 1287 C SER A 78 -21.522 16.323 0.189 1.00 0.00 C ATOM 1288 O SER A 78 -22.106 15.393 -0.369 1.00 0.00 O ATOM 1289 CB SER A 78 -19.670 17.051 -1.327 1.00 0.00 C ATOM 1290 OG SER A 78 -20.299 18.304 -1.538 1.00 0.00 O ATOM 0 H SER A 78 -19.173 14.677 -0.577 1.00 0.00 H new ATOM 0 HA SER A 78 -19.673 17.192 0.819 1.00 0.00 H new ATOM 0 HB2 SER A 78 -18.590 17.162 -1.421 1.00 0.00 H new ATOM 0 HB3 SER A 78 -19.987 16.347 -2.097 1.00 0.00 H new ATOM 0 HG SER A 78 -20.064 18.642 -2.427 1.00 0.00 H new ATOM 1296 N SER A 79 -22.150 17.229 0.933 1.00 0.00 N ATOM 1297 CA SER A 79 -23.592 17.180 1.143 1.00 0.00 C ATOM 1298 C SER A 79 -24.303 18.214 0.277 1.00 0.00 C ATOM 1299 O SER A 79 -24.154 19.418 0.481 1.00 0.00 O ATOM 1300 CB SER A 79 -23.921 17.419 2.618 1.00 0.00 C ATOM 1301 OG SER A 79 -25.265 17.072 2.903 1.00 0.00 O ATOM 0 H SER A 79 -21.682 18.006 1.400 1.00 0.00 H new ATOM 0 HA SER A 79 -23.943 16.189 0.855 1.00 0.00 H new ATOM 0 HB2 SER A 79 -23.250 16.831 3.244 1.00 0.00 H new ATOM 0 HB3 SER A 79 -23.752 18.467 2.866 1.00 0.00 H new ATOM 0 HG SER A 79 -25.450 17.232 3.852 1.00 0.00 H new ATOM 1307 N GLY A 80 -25.077 17.734 -0.691 1.00 0.00 N ATOM 1308 CA GLY A 80 -25.800 18.630 -1.575 1.00 0.00 C ATOM 1309 C GLY A 80 -27.235 18.194 -1.795 1.00 0.00 C ATOM 1310 O GLY A 80 -28.169 18.953 -1.536 1.00 0.00 O ATOM 0 H GLY A 80 -25.216 16.741 -0.879 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -25.789 19.636 -1.156 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -25.287 18.680 -2.536 1.00 0.00 H new TER 1314 GLY A 80