USER MOD reduce.3.24.130724 H: found=0, std=0, add=681, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 679 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 74 GLN : amide:sc= -1.46 K(o=-0.6,f=-4.4!) USER MOD Set 1.2: A 77 LYS NZ :NH3+ -154:sc= 0.866 (180deg=-0.457) USER MOD Single : A 1 GLY N :NH3+ -146:sc= 0.0274 (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= -0.137 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 14 ASN : amide:sc= 0.301 K(o=0.3,f=-0.39) USER MOD Single : A 17 GLN : amide:sc= -6.63! C(o=-6.6!,f=-11!) USER MOD Single : A 20 MET CE :methyl -155:sc= -0.0989 (180deg=-0.523) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 41 GLN : amide:sc= -0.179 X(o=-0.18,f=-0.62) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 MET CE :methyl 178:sc= -2.03 (180deg=-2.08) USER MOD Single : A 50 MET CE :methyl -165:sc= -2.61 (180deg=-3.18) USER MOD Single : A 52 GLN : amide:sc= -1.46 K(o=-1.5,f=-5.4!) USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 ASN : amide:sc= -0.966 K(o=-0.97,f=-5!) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0.041 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 GLN : amide:sc= -0.247 X(o=-0.25,f=-0.4) USER MOD Single : A 79 MET CE :methyl 170:sc= -0.471 (180deg=-0.851) USER MOD Single : A 87 GLN : amide:sc= -0.0942 X(o=-0.094,f=0) USER MOD Single : A 89 SER OG : rot 39:sc= 0.564 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 35.710 16.273 11.747 1.00 0.00 N ATOM 2 CA GLY A 1 36.810 15.332 11.656 1.00 0.00 C ATOM 3 C GLY A 1 36.472 14.125 10.803 1.00 0.00 C ATOM 4 O GLY A 1 35.657 14.214 9.885 1.00 0.00 O ATOM 0 H1 GLY A 1 36.085 17.242 11.798 1.00 0.00 H new ATOM 0 H2 GLY A 1 35.104 16.181 10.907 1.00 0.00 H new ATOM 0 H3 GLY A 1 35.151 16.072 12.601 1.00 0.00 H new ATOM 0 HA2 GLY A 1 37.681 15.836 11.238 1.00 0.00 H new ATOM 0 HA3 GLY A 1 37.084 15.000 12.657 1.00 0.00 H new ATOM 8 N SER A 2 37.101 12.994 11.105 1.00 0.00 N ATOM 9 CA SER A 2 36.867 11.765 10.356 1.00 0.00 C ATOM 10 C SER A 2 35.670 11.005 10.919 1.00 0.00 C ATOM 11 O SER A 2 35.709 9.784 11.066 1.00 0.00 O ATOM 12 CB SER A 2 38.112 10.876 10.390 1.00 0.00 C ATOM 13 OG SER A 2 39.193 11.487 9.708 1.00 0.00 O ATOM 0 H SER A 2 37.777 12.903 11.863 1.00 0.00 H new ATOM 0 HA SER A 2 36.651 12.035 9.322 1.00 0.00 H new ATOM 0 HB2 SER A 2 38.395 10.680 11.424 1.00 0.00 H new ATOM 0 HB3 SER A 2 37.887 9.912 9.933 1.00 0.00 H new ATOM 0 HG SER A 2 39.977 10.900 9.745 1.00 0.00 H new ATOM 19 N SER A 3 34.606 11.738 11.232 1.00 0.00 N ATOM 20 CA SER A 3 33.398 11.135 11.783 1.00 0.00 C ATOM 21 C SER A 3 32.160 11.618 11.034 1.00 0.00 C ATOM 22 O SER A 3 32.008 12.809 10.765 1.00 0.00 O ATOM 23 CB SER A 3 33.269 11.467 13.271 1.00 0.00 C ATOM 24 OG SER A 3 32.480 10.502 13.943 1.00 0.00 O ATOM 0 H SER A 3 34.556 12.750 11.113 1.00 0.00 H new ATOM 0 HA SER A 3 33.475 10.054 11.665 1.00 0.00 H new ATOM 0 HB2 SER A 3 34.259 11.511 13.724 1.00 0.00 H new ATOM 0 HB3 SER A 3 32.821 12.454 13.389 1.00 0.00 H new ATOM 0 HG SER A 3 32.415 10.736 14.892 1.00 0.00 H new ATOM 30 N GLY A 4 31.276 10.682 10.699 1.00 0.00 N ATOM 31 CA GLY A 4 30.062 11.030 9.984 1.00 0.00 C ATOM 32 C GLY A 4 28.865 11.161 10.903 1.00 0.00 C ATOM 33 O GLY A 4 28.680 12.192 11.551 1.00 0.00 O ATOM 0 H GLY A 4 31.379 9.689 10.910 1.00 0.00 H new ATOM 0 HA2 GLY A 4 30.213 11.970 9.454 1.00 0.00 H new ATOM 0 HA3 GLY A 4 29.857 10.269 9.231 1.00 0.00 H new ATOM 37 N SER A 5 28.047 10.114 10.960 1.00 0.00 N ATOM 38 CA SER A 5 26.857 10.119 11.803 1.00 0.00 C ATOM 39 C SER A 5 26.565 8.720 12.337 1.00 0.00 C ATOM 40 O SER A 5 27.076 7.726 11.820 1.00 0.00 O ATOM 41 CB SER A 5 25.652 10.640 11.018 1.00 0.00 C ATOM 42 OG SER A 5 24.483 10.639 11.819 1.00 0.00 O ATOM 0 H SER A 5 28.187 9.252 10.433 1.00 0.00 H new ATOM 0 HA SER A 5 27.043 10.781 12.649 1.00 0.00 H new ATOM 0 HB2 SER A 5 25.854 11.651 10.665 1.00 0.00 H new ATOM 0 HB3 SER A 5 25.493 10.020 10.136 1.00 0.00 H new ATOM 0 HG SER A 5 23.727 10.978 11.295 1.00 0.00 H new ATOM 48 N SER A 6 25.738 8.650 13.376 1.00 0.00 N ATOM 49 CA SER A 6 25.379 7.374 13.983 1.00 0.00 C ATOM 50 C SER A 6 23.866 7.250 14.133 1.00 0.00 C ATOM 51 O SER A 6 23.258 7.906 14.977 1.00 0.00 O ATOM 52 CB SER A 6 26.052 7.229 15.350 1.00 0.00 C ATOM 53 OG SER A 6 27.458 7.373 15.245 1.00 0.00 O ATOM 0 H SER A 6 25.304 9.462 13.815 1.00 0.00 H new ATOM 0 HA SER A 6 25.728 6.576 13.327 1.00 0.00 H new ATOM 0 HB2 SER A 6 25.657 7.979 16.035 1.00 0.00 H new ATOM 0 HB3 SER A 6 25.814 6.254 15.774 1.00 0.00 H new ATOM 0 HG SER A 6 27.864 7.278 16.132 1.00 0.00 H new ATOM 59 N GLY A 7 23.264 6.402 13.305 1.00 0.00 N ATOM 60 CA GLY A 7 21.827 6.206 13.360 1.00 0.00 C ATOM 61 C GLY A 7 21.162 6.407 12.012 1.00 0.00 C ATOM 62 O GLY A 7 21.811 6.809 11.046 1.00 0.00 O ATOM 0 H GLY A 7 23.745 5.847 12.597 1.00 0.00 H new ATOM 0 HA2 GLY A 7 21.614 5.199 13.720 1.00 0.00 H new ATOM 0 HA3 GLY A 7 21.396 6.900 14.081 1.00 0.00 H new ATOM 66 N HIS A 8 19.865 6.125 11.946 1.00 0.00 N ATOM 67 CA HIS A 8 19.112 6.277 10.706 1.00 0.00 C ATOM 68 C HIS A 8 18.091 7.404 10.825 1.00 0.00 C ATOM 69 O HIS A 8 18.053 8.310 9.994 1.00 0.00 O ATOM 70 CB HIS A 8 18.405 4.968 10.351 1.00 0.00 C ATOM 71 CG HIS A 8 19.341 3.877 9.932 1.00 0.00 C ATOM 72 ND1 HIS A 8 19.322 2.615 10.487 1.00 0.00 N ATOM 73 CD2 HIS A 8 20.327 3.863 9.004 1.00 0.00 C ATOM 74 CE1 HIS A 8 20.257 1.873 9.921 1.00 0.00 C ATOM 75 NE2 HIS A 8 20.881 2.606 9.017 1.00 0.00 N ATOM 0 H HIS A 8 19.314 5.790 12.736 1.00 0.00 H new ATOM 0 HA HIS A 8 19.814 6.529 9.912 1.00 0.00 H new ATOM 0 HB2 HIS A 8 17.829 4.630 11.213 1.00 0.00 H new ATOM 0 HB3 HIS A 8 17.694 5.155 9.546 1.00 0.00 H new ATOM 0 HD2 HIS A 8 20.623 4.687 8.371 1.00 0.00 H new ATOM 0 HE1 HIS A 8 20.474 0.842 10.157 1.00 0.00 H new ATOM 0 HE2 HIS A 8 21.649 2.290 8.425 1.00 0.00 H new ATOM 84 N GLY A 9 17.264 7.341 11.864 1.00 0.00 N ATOM 85 CA GLY A 9 16.253 8.361 12.071 1.00 0.00 C ATOM 86 C GLY A 9 15.570 8.235 13.418 1.00 0.00 C ATOM 87 O GLY A 9 15.427 7.133 13.949 1.00 0.00 O ATOM 0 H GLY A 9 17.276 6.601 12.566 1.00 0.00 H new ATOM 0 HA2 GLY A 9 16.713 9.346 11.991 1.00 0.00 H new ATOM 0 HA3 GLY A 9 15.506 8.293 11.280 1.00 0.00 H new ATOM 91 N ASP A 10 15.148 9.365 13.974 1.00 0.00 N ATOM 92 CA ASP A 10 14.476 9.377 15.268 1.00 0.00 C ATOM 93 C ASP A 10 13.560 10.590 15.394 1.00 0.00 C ATOM 94 O ASP A 10 14.020 11.731 15.388 1.00 0.00 O ATOM 95 CB ASP A 10 15.505 9.379 16.401 1.00 0.00 C ATOM 96 CG ASP A 10 16.263 8.070 16.497 1.00 0.00 C ATOM 97 OD1 ASP A 10 15.624 7.004 16.370 1.00 0.00 O ATOM 98 OD2 ASP A 10 17.494 8.111 16.698 1.00 0.00 O ATOM 0 H ASP A 10 15.259 10.285 13.549 1.00 0.00 H new ATOM 0 HA ASP A 10 13.867 8.476 15.342 1.00 0.00 H new ATOM 0 HB2 ASP A 10 16.212 10.194 16.245 1.00 0.00 H new ATOM 0 HB3 ASP A 10 14.999 9.573 17.347 1.00 0.00 H new ATOM 103 N GLY A 11 12.260 10.335 15.508 1.00 0.00 N ATOM 104 CA GLY A 11 11.300 11.416 15.632 1.00 0.00 C ATOM 105 C GLY A 11 9.896 10.991 15.247 1.00 0.00 C ATOM 106 O GLY A 11 9.698 10.136 14.384 1.00 0.00 O ATOM 0 H GLY A 11 11.855 9.399 15.517 1.00 0.00 H new ATOM 0 HA2 GLY A 11 11.297 11.780 16.660 1.00 0.00 H new ATOM 0 HA3 GLY A 11 11.611 12.248 15.000 1.00 0.00 H new ATOM 110 N PRO A 12 8.891 11.597 15.897 1.00 0.00 N ATOM 111 CA PRO A 12 7.482 11.292 15.635 1.00 0.00 C ATOM 112 C PRO A 12 7.026 11.788 14.267 1.00 0.00 C ATOM 113 O PRO A 12 7.084 12.982 13.978 1.00 0.00 O ATOM 114 CB PRO A 12 6.744 12.040 16.749 1.00 0.00 C ATOM 115 CG PRO A 12 7.659 13.154 17.127 1.00 0.00 C ATOM 116 CD PRO A 12 9.054 12.626 16.938 1.00 0.00 C ATOM 0 HA PRO A 12 7.292 10.219 15.625 1.00 0.00 H new ATOM 0 HB2 PRO A 12 5.782 12.418 16.402 1.00 0.00 H new ATOM 0 HB3 PRO A 12 6.543 11.387 17.598 1.00 0.00 H new ATOM 0 HG2 PRO A 12 7.486 14.030 16.503 1.00 0.00 H new ATOM 0 HG3 PRO A 12 7.494 13.461 18.160 1.00 0.00 H new ATOM 0 HD2 PRO A 12 9.742 13.411 16.623 1.00 0.00 H new ATOM 0 HD3 PRO A 12 9.453 12.205 17.861 1.00 0.00 H new ATOM 124 N GLY A 13 6.570 10.862 13.428 1.00 0.00 N ATOM 125 CA GLY A 13 6.111 11.226 12.101 1.00 0.00 C ATOM 126 C GLY A 13 5.569 10.038 11.329 1.00 0.00 C ATOM 127 O GLY A 13 6.320 9.139 10.955 1.00 0.00 O ATOM 0 H GLY A 13 6.511 9.867 13.644 1.00 0.00 H new ATOM 0 HA2 GLY A 13 5.334 11.986 12.184 1.00 0.00 H new ATOM 0 HA3 GLY A 13 6.935 11.672 11.544 1.00 0.00 H new ATOM 131 N ASN A 14 4.261 10.035 11.093 1.00 0.00 N ATOM 132 CA ASN A 14 3.619 8.948 10.363 1.00 0.00 C ATOM 133 C ASN A 14 4.202 8.817 8.959 1.00 0.00 C ATOM 134 O ASN A 14 4.206 9.774 8.185 1.00 0.00 O ATOM 135 CB ASN A 14 2.110 9.183 10.280 1.00 0.00 C ATOM 136 CG ASN A 14 1.754 10.657 10.269 1.00 0.00 C ATOM 137 OD1 ASN A 14 1.145 11.167 11.210 1.00 0.00 O ATOM 138 ND2 ASN A 14 2.132 11.348 9.200 1.00 0.00 N ATOM 0 H ASN A 14 3.625 10.773 11.397 1.00 0.00 H new ATOM 0 HA ASN A 14 3.806 8.020 10.904 1.00 0.00 H new ATOM 0 HB2 ASN A 14 1.721 8.711 9.378 1.00 0.00 H new ATOM 0 HB3 ASN A 14 1.623 8.701 11.127 1.00 0.00 H new ATOM 0 HD21 ASN A 14 1.920 12.343 9.135 1.00 0.00 H new ATOM 0 HD22 ASN A 14 2.635 10.883 8.444 1.00 0.00 H new ATOM 145 N ALA A 15 4.693 7.625 8.637 1.00 0.00 N ATOM 146 CA ALA A 15 5.276 7.367 7.326 1.00 0.00 C ATOM 147 C ALA A 15 4.203 6.977 6.315 1.00 0.00 C ATOM 148 O ALA A 15 3.270 6.242 6.638 1.00 0.00 O ATOM 149 CB ALA A 15 6.333 6.277 7.423 1.00 0.00 C ATOM 0 H ALA A 15 4.699 6.822 9.266 1.00 0.00 H new ATOM 0 HA ALA A 15 5.748 8.286 6.979 1.00 0.00 H new ATOM 0 HB1 ALA A 15 6.760 6.095 6.437 1.00 0.00 H new ATOM 0 HB2 ALA A 15 7.121 6.594 8.106 1.00 0.00 H new ATOM 0 HB3 ALA A 15 5.877 5.360 7.796 1.00 0.00 H new ATOM 155 N VAL A 16 4.341 7.475 5.090 1.00 0.00 N ATOM 156 CA VAL A 16 3.383 7.179 4.032 1.00 0.00 C ATOM 157 C VAL A 16 4.093 6.895 2.713 1.00 0.00 C ATOM 158 O VAL A 16 5.026 7.603 2.334 1.00 0.00 O ATOM 159 CB VAL A 16 2.392 8.340 3.830 1.00 0.00 C ATOM 160 CG1 VAL A 16 3.089 9.531 3.189 1.00 0.00 C ATOM 161 CG2 VAL A 16 1.208 7.889 2.989 1.00 0.00 C ATOM 0 H VAL A 16 5.107 8.085 4.806 1.00 0.00 H new ATOM 0 HA VAL A 16 2.831 6.292 4.343 1.00 0.00 H new ATOM 0 HB VAL A 16 2.018 8.650 4.806 1.00 0.00 H new ATOM 0 HG11 VAL A 16 2.373 10.342 3.054 1.00 0.00 H new ATOM 0 HG12 VAL A 16 3.901 9.867 3.833 1.00 0.00 H new ATOM 0 HG13 VAL A 16 3.493 9.238 2.220 1.00 0.00 H new ATOM 0 HG21 VAL A 16 0.518 8.722 2.856 1.00 0.00 H new ATOM 0 HG22 VAL A 16 1.561 7.552 2.015 1.00 0.00 H new ATOM 0 HG23 VAL A 16 0.695 7.070 3.493 1.00 0.00 H new ATOM 171 N GLN A 17 3.643 5.856 2.017 1.00 0.00 N ATOM 172 CA GLN A 17 4.236 5.478 0.739 1.00 0.00 C ATOM 173 C GLN A 17 3.163 5.323 -0.334 1.00 0.00 C ATOM 174 O GLN A 17 2.198 4.581 -0.156 1.00 0.00 O ATOM 175 CB GLN A 17 5.022 4.174 0.883 1.00 0.00 C ATOM 176 CG GLN A 17 6.481 4.382 1.255 1.00 0.00 C ATOM 177 CD GLN A 17 6.696 5.617 2.108 1.00 0.00 C ATOM 178 OE1 GLN A 17 6.468 5.597 3.318 1.00 0.00 O ATOM 179 NE2 GLN A 17 7.137 6.701 1.480 1.00 0.00 N ATOM 0 H GLN A 17 2.870 5.261 2.316 1.00 0.00 H new ATOM 0 HA GLN A 17 4.917 6.272 0.434 1.00 0.00 H new ATOM 0 HB2 GLN A 17 4.546 3.555 1.643 1.00 0.00 H new ATOM 0 HB3 GLN A 17 4.970 3.622 -0.056 1.00 0.00 H new ATOM 0 HG2 GLN A 17 6.843 3.506 1.793 1.00 0.00 H new ATOM 0 HG3 GLN A 17 7.076 4.466 0.345 1.00 0.00 H new ATOM 0 HE21 GLN A 17 7.313 6.673 0.476 1.00 0.00 H new ATOM 0 HE22 GLN A 17 7.300 7.562 2.002 1.00 0.00 H new ATOM 188 N GLU A 18 3.339 6.029 -1.447 1.00 0.00 N ATOM 189 CA GLU A 18 2.384 5.969 -2.547 1.00 0.00 C ATOM 190 C GLU A 18 2.934 5.133 -3.699 1.00 0.00 C ATOM 191 O GLU A 18 4.098 5.267 -4.077 1.00 0.00 O ATOM 192 CB GLU A 18 2.051 7.379 -3.039 1.00 0.00 C ATOM 193 CG GLU A 18 1.129 8.147 -2.108 1.00 0.00 C ATOM 194 CD GLU A 18 0.781 9.525 -2.636 1.00 0.00 C ATOM 195 OE1 GLU A 18 1.676 10.187 -3.202 1.00 0.00 O ATOM 196 OE2 GLU A 18 -0.387 9.941 -2.483 1.00 0.00 O ATOM 0 H GLU A 18 4.133 6.648 -1.610 1.00 0.00 H new ATOM 0 HA GLU A 18 1.474 5.496 -2.180 1.00 0.00 H new ATOM 0 HB2 GLU A 18 2.978 7.940 -3.163 1.00 0.00 H new ATOM 0 HB3 GLU A 18 1.586 7.311 -4.022 1.00 0.00 H new ATOM 0 HG2 GLU A 18 0.212 7.577 -1.960 1.00 0.00 H new ATOM 0 HG3 GLU A 18 1.604 8.246 -1.132 1.00 0.00 H new ATOM 203 N ILE A 19 2.088 4.271 -4.253 1.00 0.00 N ATOM 204 CA ILE A 19 2.488 3.414 -5.362 1.00 0.00 C ATOM 205 C ILE A 19 1.438 3.419 -6.467 1.00 0.00 C ATOM 206 O ILE A 19 0.271 3.727 -6.227 1.00 0.00 O ATOM 207 CB ILE A 19 2.721 1.964 -4.897 1.00 0.00 C ATOM 208 CG1 ILE A 19 1.849 1.650 -3.679 1.00 0.00 C ATOM 209 CG2 ILE A 19 4.190 1.740 -4.575 1.00 0.00 C ATOM 210 CD1 ILE A 19 2.491 2.027 -2.363 1.00 0.00 C ATOM 0 H ILE A 19 1.121 4.148 -3.952 1.00 0.00 H new ATOM 0 HA ILE A 19 3.423 3.817 -5.751 1.00 0.00 H new ATOM 0 HB ILE A 19 2.440 1.289 -5.706 1.00 0.00 H new ATOM 0 HG12 ILE A 19 0.900 2.178 -3.776 1.00 0.00 H new ATOM 0 HG13 ILE A 19 1.621 0.584 -3.671 1.00 0.00 H new ATOM 0 HG21 ILE A 19 4.338 0.711 -4.248 1.00 0.00 H new ATOM 0 HG22 ILE A 19 4.790 1.928 -5.465 1.00 0.00 H new ATOM 0 HG23 ILE A 19 4.496 2.421 -3.781 1.00 0.00 H new ATOM 0 HD11 ILE A 19 1.817 1.776 -1.544 1.00 0.00 H new ATOM 0 HD12 ILE A 19 3.426 1.479 -2.244 1.00 0.00 H new ATOM 0 HD13 ILE A 19 2.694 3.098 -2.351 1.00 0.00 H new ATOM 222 N MET A 20 1.861 3.075 -7.679 1.00 0.00 N ATOM 223 CA MET A 20 0.956 3.037 -8.822 1.00 0.00 C ATOM 224 C MET A 20 0.358 1.644 -8.996 1.00 0.00 C ATOM 225 O MET A 20 1.067 0.691 -9.321 1.00 0.00 O ATOM 226 CB MET A 20 1.692 3.452 -10.097 1.00 0.00 C ATOM 227 CG MET A 20 3.024 2.744 -10.288 1.00 0.00 C ATOM 228 SD MET A 20 3.470 2.559 -12.025 1.00 0.00 S ATOM 229 CE MET A 20 2.255 1.357 -12.560 1.00 0.00 C ATOM 0 H MET A 20 2.824 2.819 -7.895 1.00 0.00 H new ATOM 0 HA MET A 20 0.145 3.740 -8.635 1.00 0.00 H new ATOM 0 HB2 MET A 20 1.055 3.248 -10.957 1.00 0.00 H new ATOM 0 HB3 MET A 20 1.862 4.528 -10.075 1.00 0.00 H new ATOM 0 HG2 MET A 20 3.805 3.304 -9.774 1.00 0.00 H new ATOM 0 HG3 MET A 20 2.978 1.760 -9.822 1.00 0.00 H new ATOM 0 HE1 MET A 20 2.637 0.814 -13.425 1.00 0.00 H new ATOM 0 HE2 MET A 20 2.056 0.656 -11.750 1.00 0.00 H new ATOM 0 HE3 MET A 20 1.332 1.869 -12.832 1.00 0.00 H new ATOM 239 N ILE A 21 -0.948 1.534 -8.778 1.00 0.00 N ATOM 240 CA ILE A 21 -1.639 0.258 -8.912 1.00 0.00 C ATOM 241 C ILE A 21 -2.553 0.253 -10.133 1.00 0.00 C ATOM 242 O ILE A 21 -3.278 1.211 -10.400 1.00 0.00 O ATOM 243 CB ILE A 21 -2.474 -0.065 -7.659 1.00 0.00 C ATOM 244 CG1 ILE A 21 -1.709 0.330 -6.394 1.00 0.00 C ATOM 245 CG2 ILE A 21 -2.833 -1.543 -7.627 1.00 0.00 C ATOM 246 CD1 ILE A 21 -0.488 -0.525 -6.134 1.00 0.00 C ATOM 0 H ILE A 21 -1.549 2.313 -8.508 1.00 0.00 H new ATOM 0 HA ILE A 21 -0.870 -0.505 -9.033 1.00 0.00 H new ATOM 0 HB ILE A 21 -3.398 0.512 -7.698 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -1.402 1.373 -6.476 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -2.380 0.262 -5.537 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -3.423 -1.755 -6.735 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -3.413 -1.796 -8.515 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -1.920 -2.139 -7.608 1.00 0.00 H new ATOM 0 HD11 ILE A 21 0.005 -0.188 -5.222 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -0.790 -1.566 -6.020 1.00 0.00 H new ATOM 0 HD13 ILE A 21 0.203 -0.438 -6.973 1.00 0.00 H new ATOM 258 N PRO A 22 -2.520 -0.852 -10.893 1.00 0.00 N ATOM 259 CA PRO A 22 -3.341 -1.010 -12.097 1.00 0.00 C ATOM 260 C PRO A 22 -4.823 -1.159 -11.772 1.00 0.00 C ATOM 261 O PRO A 22 -5.206 -1.977 -10.937 1.00 0.00 O ATOM 262 CB PRO A 22 -2.800 -2.294 -12.729 1.00 0.00 C ATOM 263 CG PRO A 22 -2.216 -3.060 -11.592 1.00 0.00 C ATOM 264 CD PRO A 22 -1.678 -2.033 -10.634 1.00 0.00 C ATOM 0 HA PRO A 22 -3.280 -0.139 -12.750 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -3.593 -2.858 -13.220 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -2.048 -2.076 -13.487 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -2.971 -3.683 -11.113 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -1.424 -3.726 -11.936 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -1.760 -2.366 -9.599 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -0.624 -1.824 -10.819 1.00 0.00 H new ATOM 272 N ALA A 23 -5.653 -0.363 -12.439 1.00 0.00 N ATOM 273 CA ALA A 23 -7.094 -0.409 -12.223 1.00 0.00 C ATOM 274 C ALA A 23 -7.630 -1.826 -12.394 1.00 0.00 C ATOM 275 O ALA A 23 -8.753 -2.128 -11.993 1.00 0.00 O ATOM 276 CB ALA A 23 -7.801 0.543 -13.176 1.00 0.00 C ATOM 0 H ALA A 23 -5.352 0.321 -13.133 1.00 0.00 H new ATOM 0 HA ALA A 23 -7.293 -0.095 -11.198 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -8.876 0.498 -13.004 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -7.448 1.560 -13.003 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -7.586 0.254 -14.205 1.00 0.00 H new ATOM 282 N SER A 24 -6.819 -2.692 -12.994 1.00 0.00 N ATOM 283 CA SER A 24 -7.214 -4.077 -13.222 1.00 0.00 C ATOM 284 C SER A 24 -7.038 -4.909 -11.955 1.00 0.00 C ATOM 285 O SER A 24 -7.961 -5.594 -11.515 1.00 0.00 O ATOM 286 CB SER A 24 -6.391 -4.683 -14.361 1.00 0.00 C ATOM 287 OG SER A 24 -6.682 -4.047 -15.594 1.00 0.00 O ATOM 0 H SER A 24 -5.885 -2.459 -13.331 1.00 0.00 H new ATOM 0 HA SER A 24 -8.268 -4.087 -13.499 1.00 0.00 H new ATOM 0 HB2 SER A 24 -5.328 -4.584 -14.139 1.00 0.00 H new ATOM 0 HB3 SER A 24 -6.602 -5.749 -14.439 1.00 0.00 H new ATOM 0 HG SER A 24 -6.142 -4.451 -16.306 1.00 0.00 H new ATOM 293 N LYS A 25 -5.845 -4.843 -11.373 1.00 0.00 N ATOM 294 CA LYS A 25 -5.546 -5.587 -10.155 1.00 0.00 C ATOM 295 C LYS A 25 -6.126 -4.885 -8.932 1.00 0.00 C ATOM 296 O LYS A 25 -6.265 -5.487 -7.867 1.00 0.00 O ATOM 297 CB LYS A 25 -4.033 -5.751 -9.992 1.00 0.00 C ATOM 298 CG LYS A 25 -3.318 -6.116 -11.282 1.00 0.00 C ATOM 299 CD LYS A 25 -3.468 -7.593 -11.604 1.00 0.00 C ATOM 300 CE LYS A 25 -3.089 -7.890 -13.046 1.00 0.00 C ATOM 301 NZ LYS A 25 -4.203 -7.582 -13.986 1.00 0.00 N ATOM 0 H LYS A 25 -5.070 -4.282 -11.725 1.00 0.00 H new ATOM 0 HA LYS A 25 -6.006 -6.572 -10.239 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -3.615 -4.822 -9.605 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -3.838 -6.523 -9.247 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -3.720 -5.521 -12.102 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -2.260 -5.867 -11.196 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -2.839 -8.178 -10.933 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -4.498 -7.902 -11.426 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -2.211 -7.305 -13.319 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -2.814 -8.940 -13.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -3.906 -7.798 -14.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -5.033 -8.159 -13.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -4.449 -6.574 -13.915 1.00 0.00 H new ATOM 315 N ALA A 26 -6.466 -3.610 -9.092 1.00 0.00 N ATOM 316 CA ALA A 26 -7.035 -2.829 -8.001 1.00 0.00 C ATOM 317 C ALA A 26 -8.231 -3.542 -7.380 1.00 0.00 C ATOM 318 O ALA A 26 -8.379 -3.577 -6.159 1.00 0.00 O ATOM 319 CB ALA A 26 -7.441 -1.449 -8.497 1.00 0.00 C ATOM 0 H ALA A 26 -6.357 -3.096 -9.967 1.00 0.00 H new ATOM 0 HA ALA A 26 -6.272 -2.717 -7.231 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -7.865 -0.876 -7.672 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -6.565 -0.930 -8.887 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -8.185 -1.551 -9.288 1.00 0.00 H new ATOM 325 N GLY A 27 -9.082 -4.110 -8.228 1.00 0.00 N ATOM 326 CA GLY A 27 -10.254 -4.815 -7.743 1.00 0.00 C ATOM 327 C GLY A 27 -9.912 -6.163 -7.141 1.00 0.00 C ATOM 328 O GLY A 27 -10.771 -6.828 -6.560 1.00 0.00 O ATOM 0 H GLY A 27 -8.981 -4.095 -9.243 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -10.758 -4.204 -6.994 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -10.956 -4.955 -8.565 1.00 0.00 H new ATOM 332 N LEU A 28 -8.655 -6.570 -7.280 1.00 0.00 N ATOM 333 CA LEU A 28 -8.202 -7.849 -6.746 1.00 0.00 C ATOM 334 C LEU A 28 -7.545 -7.668 -5.381 1.00 0.00 C ATOM 335 O LEU A 28 -7.823 -8.415 -4.443 1.00 0.00 O ATOM 336 CB LEU A 28 -7.218 -8.508 -7.715 1.00 0.00 C ATOM 337 CG LEU A 28 -7.831 -9.420 -8.778 1.00 0.00 C ATOM 338 CD1 LEU A 28 -8.205 -8.619 -10.016 1.00 0.00 C ATOM 339 CD2 LEU A 28 -6.869 -10.543 -9.137 1.00 0.00 C ATOM 0 H LEU A 28 -7.932 -6.033 -7.758 1.00 0.00 H new ATOM 0 HA LEU A 28 -9.073 -8.494 -6.626 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -6.655 -7.723 -8.220 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -6.502 -9.090 -7.134 1.00 0.00 H new ATOM 0 HG LEU A 28 -8.739 -9.864 -8.369 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -8.640 -9.284 -10.762 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -8.931 -7.851 -9.747 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -7.313 -8.147 -10.427 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -7.322 -11.182 -9.895 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -5.943 -10.119 -9.526 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -6.651 -11.134 -8.247 1.00 0.00 H new ATOM 351 N VAL A 29 -6.674 -6.670 -5.277 1.00 0.00 N ATOM 352 CA VAL A 29 -5.981 -6.388 -4.026 1.00 0.00 C ATOM 353 C VAL A 29 -6.937 -5.822 -2.983 1.00 0.00 C ATOM 354 O VAL A 29 -6.685 -5.913 -1.781 1.00 0.00 O ATOM 355 CB VAL A 29 -4.823 -5.394 -4.238 1.00 0.00 C ATOM 356 CG1 VAL A 29 -5.346 -4.074 -4.783 1.00 0.00 C ATOM 357 CG2 VAL A 29 -4.062 -5.179 -2.938 1.00 0.00 C ATOM 0 H VAL A 29 -6.431 -6.043 -6.044 1.00 0.00 H new ATOM 0 HA VAL A 29 -5.577 -7.335 -3.668 1.00 0.00 H new ATOM 0 HB VAL A 29 -4.135 -5.815 -4.971 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -4.514 -3.384 -4.926 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -5.843 -4.246 -5.737 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -6.056 -3.644 -4.076 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -3.247 -4.474 -3.105 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -4.738 -4.779 -2.182 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -3.654 -6.129 -2.594 1.00 0.00 H new ATOM 367 N ILE A 30 -8.036 -5.238 -3.450 1.00 0.00 N ATOM 368 CA ILE A 30 -9.032 -4.659 -2.557 1.00 0.00 C ATOM 369 C ILE A 30 -10.159 -5.647 -2.275 1.00 0.00 C ATOM 370 O ILE A 30 -10.657 -5.733 -1.154 1.00 0.00 O ATOM 371 CB ILE A 30 -9.631 -3.368 -3.144 1.00 0.00 C ATOM 372 CG1 ILE A 30 -8.525 -2.350 -3.431 1.00 0.00 C ATOM 373 CG2 ILE A 30 -10.663 -2.782 -2.192 1.00 0.00 C ATOM 374 CD1 ILE A 30 -9.042 -1.018 -3.925 1.00 0.00 C ATOM 0 H ILE A 30 -8.259 -5.153 -4.442 1.00 0.00 H new ATOM 0 HA ILE A 30 -8.520 -4.421 -1.625 1.00 0.00 H new ATOM 0 HB ILE A 30 -10.128 -3.611 -4.083 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -7.945 -2.191 -2.522 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -7.845 -2.765 -4.175 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -11.077 -1.870 -2.621 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -11.464 -3.505 -2.034 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -10.189 -2.551 -1.238 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -8.203 -0.347 -4.108 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -9.598 -1.164 -4.851 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -9.699 -0.581 -3.173 1.00 0.00 H new ATOM 386 N GLY A 31 -10.554 -6.394 -3.302 1.00 0.00 N ATOM 387 CA GLY A 31 -11.619 -7.368 -3.145 1.00 0.00 C ATOM 388 C GLY A 31 -12.995 -6.753 -3.305 1.00 0.00 C ATOM 389 O GLY A 31 -13.147 -5.705 -3.933 1.00 0.00 O ATOM 0 H GLY A 31 -10.156 -6.342 -4.240 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -11.492 -8.163 -3.880 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -11.543 -7.830 -2.160 1.00 0.00 H new ATOM 393 N LYS A 32 -14.003 -7.407 -2.737 1.00 0.00 N ATOM 394 CA LYS A 32 -15.375 -6.920 -2.819 1.00 0.00 C ATOM 395 C LYS A 32 -15.679 -5.954 -1.678 1.00 0.00 C ATOM 396 O LYS A 32 -16.279 -6.334 -0.674 1.00 0.00 O ATOM 397 CB LYS A 32 -16.357 -8.093 -2.784 1.00 0.00 C ATOM 398 CG LYS A 32 -16.202 -9.051 -3.952 1.00 0.00 C ATOM 399 CD LYS A 32 -16.834 -10.401 -3.654 1.00 0.00 C ATOM 400 CE LYS A 32 -15.907 -11.279 -2.827 1.00 0.00 C ATOM 401 NZ LYS A 32 -16.578 -12.534 -2.389 1.00 0.00 N ATOM 0 H LYS A 32 -13.895 -8.276 -2.215 1.00 0.00 H new ATOM 0 HA LYS A 32 -15.489 -6.387 -3.763 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -16.220 -8.643 -1.853 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -17.375 -7.704 -2.777 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -16.664 -8.620 -4.841 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -15.144 -9.185 -4.176 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -17.772 -10.255 -3.119 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -17.076 -10.905 -4.590 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -15.022 -11.526 -3.413 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -15.566 -10.725 -1.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -15.914 -13.105 -1.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -17.408 -12.299 -1.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -16.881 -13.075 -3.224 1.00 0.00 H new ATOM 415 N GLY A 33 -15.260 -4.703 -1.841 1.00 0.00 N ATOM 416 CA GLY A 33 -15.498 -3.702 -0.817 1.00 0.00 C ATOM 417 C GLY A 33 -14.465 -3.749 0.291 1.00 0.00 C ATOM 418 O GLY A 33 -14.810 -3.839 1.468 1.00 0.00 O ATOM 0 H GLY A 33 -14.760 -4.365 -2.663 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -15.492 -2.712 -1.273 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -16.490 -3.851 -0.391 1.00 0.00 H new ATOM 422 N GLY A 34 -13.191 -3.689 -0.087 1.00 0.00 N ATOM 423 CA GLY A 34 -12.124 -3.728 0.895 1.00 0.00 C ATOM 424 C GLY A 34 -12.137 -5.003 1.716 1.00 0.00 C ATOM 425 O GLY A 34 -12.149 -4.956 2.945 1.00 0.00 O ATOM 0 H GLY A 34 -12.880 -3.614 -1.055 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -11.164 -3.636 0.387 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -12.216 -2.870 1.561 1.00 0.00 H new ATOM 429 N GLU A 35 -12.137 -6.144 1.034 1.00 0.00 N ATOM 430 CA GLU A 35 -12.152 -7.436 1.709 1.00 0.00 C ATOM 431 C GLU A 35 -10.733 -7.962 1.908 1.00 0.00 C ATOM 432 O GLU A 35 -10.410 -8.533 2.951 1.00 0.00 O ATOM 433 CB GLU A 35 -12.973 -8.447 0.905 1.00 0.00 C ATOM 434 CG GLU A 35 -14.469 -8.354 1.159 1.00 0.00 C ATOM 435 CD GLU A 35 -14.807 -8.296 2.636 1.00 0.00 C ATOM 436 OE1 GLU A 35 -14.316 -9.162 3.391 1.00 0.00 O ATOM 437 OE2 GLU A 35 -15.563 -7.387 3.037 1.00 0.00 O ATOM 0 H GLU A 35 -12.127 -6.200 0.016 1.00 0.00 H new ATOM 0 HA GLU A 35 -12.612 -7.300 2.688 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -12.783 -8.294 -0.157 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -12.633 -9.454 1.148 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -14.863 -7.466 0.665 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -14.964 -9.215 0.710 1.00 0.00 H new ATOM 444 N THR A 36 -9.888 -7.767 0.900 1.00 0.00 N ATOM 445 CA THR A 36 -8.505 -8.222 0.963 1.00 0.00 C ATOM 446 C THR A 36 -7.596 -7.142 1.539 1.00 0.00 C ATOM 447 O THR A 36 -6.885 -7.373 2.517 1.00 0.00 O ATOM 448 CB THR A 36 -7.984 -8.627 -0.428 1.00 0.00 C ATOM 449 OG1 THR A 36 -8.703 -9.769 -0.908 1.00 0.00 O ATOM 450 CG2 THR A 36 -6.497 -8.943 -0.378 1.00 0.00 C ATOM 0 H THR A 36 -10.138 -7.297 0.030 1.00 0.00 H new ATOM 0 HA THR A 36 -8.488 -9.093 1.617 1.00 0.00 H new ATOM 0 HB THR A 36 -8.139 -7.789 -1.107 1.00 0.00 H new ATOM 0 HG1 THR A 36 -8.367 -10.019 -1.794 1.00 0.00 H new ATOM 0 HG21 THR A 36 -6.152 -9.227 -1.372 1.00 0.00 H new ATOM 0 HG22 THR A 36 -5.949 -8.063 -0.041 1.00 0.00 H new ATOM 0 HG23 THR A 36 -6.323 -9.766 0.315 1.00 0.00 H new ATOM 458 N ILE A 37 -7.626 -5.962 0.928 1.00 0.00 N ATOM 459 CA ILE A 37 -6.806 -4.846 1.382 1.00 0.00 C ATOM 460 C ILE A 37 -6.990 -4.601 2.875 1.00 0.00 C ATOM 461 O ILE A 37 -6.023 -4.372 3.603 1.00 0.00 O ATOM 462 CB ILE A 37 -7.140 -3.553 0.615 1.00 0.00 C ATOM 463 CG1 ILE A 37 -6.310 -2.386 1.153 1.00 0.00 C ATOM 464 CG2 ILE A 37 -8.627 -3.245 0.719 1.00 0.00 C ATOM 465 CD1 ILE A 37 -6.601 -1.070 0.466 1.00 0.00 C ATOM 0 H ILE A 37 -8.209 -5.755 0.117 1.00 0.00 H new ATOM 0 HA ILE A 37 -5.768 -5.116 1.186 1.00 0.00 H new ATOM 0 HB ILE A 37 -6.891 -3.697 -0.436 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -6.499 -2.278 2.221 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -5.252 -2.620 1.038 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -8.848 -2.328 0.172 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -9.200 -4.069 0.293 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -8.900 -3.117 1.767 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -5.977 -0.288 0.898 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -6.385 -1.160 -0.599 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -7.651 -0.813 0.603 1.00 0.00 H new ATOM 477 N LYS A 38 -8.239 -4.651 3.328 1.00 0.00 N ATOM 478 CA LYS A 38 -8.552 -4.437 4.736 1.00 0.00 C ATOM 479 C LYS A 38 -7.718 -5.355 5.624 1.00 0.00 C ATOM 480 O LYS A 38 -7.256 -4.949 6.690 1.00 0.00 O ATOM 481 CB LYS A 38 -10.041 -4.678 4.990 1.00 0.00 C ATOM 482 CG LYS A 38 -10.486 -4.309 6.395 1.00 0.00 C ATOM 483 CD LYS A 38 -11.956 -4.624 6.616 1.00 0.00 C ATOM 484 CE LYS A 38 -12.424 -4.167 7.989 1.00 0.00 C ATOM 485 NZ LYS A 38 -13.909 -4.107 8.078 1.00 0.00 N ATOM 0 H LYS A 38 -9.051 -4.838 2.740 1.00 0.00 H new ATOM 0 HA LYS A 38 -8.310 -3.404 4.984 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -10.622 -4.101 4.271 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -10.266 -5.729 4.811 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -9.883 -4.852 7.123 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -10.311 -3.247 6.566 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -12.553 -4.136 5.846 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -12.119 -5.697 6.514 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -12.042 -4.849 8.748 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -12.007 -3.183 8.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -14.187 -3.791 9.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -14.272 -3.437 7.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -14.306 -5.051 7.897 1.00 0.00 H new ATOM 499 N GLN A 39 -7.530 -6.593 5.177 1.00 0.00 N ATOM 500 CA GLN A 39 -6.752 -7.567 5.932 1.00 0.00 C ATOM 501 C GLN A 39 -5.257 -7.315 5.767 1.00 0.00 C ATOM 502 O GLN A 39 -4.464 -7.611 6.662 1.00 0.00 O ATOM 503 CB GLN A 39 -7.095 -8.987 5.479 1.00 0.00 C ATOM 504 CG GLN A 39 -8.430 -9.488 6.006 1.00 0.00 C ATOM 505 CD GLN A 39 -8.308 -10.159 7.360 1.00 0.00 C ATOM 506 OE1 GLN A 39 -8.175 -9.492 8.387 1.00 0.00 O ATOM 507 NE2 GLN A 39 -8.353 -11.486 7.370 1.00 0.00 N ATOM 0 H GLN A 39 -7.906 -6.944 4.296 1.00 0.00 H new ATOM 0 HA GLN A 39 -7.006 -7.459 6.986 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -7.109 -9.018 4.390 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -6.307 -9.665 5.807 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -9.124 -8.651 6.081 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -8.857 -10.193 5.292 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -8.464 -11.999 6.496 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -8.276 -11.992 8.252 1.00 0.00 H new ATOM 516 N LEU A 40 -4.878 -6.768 4.617 1.00 0.00 N ATOM 517 CA LEU A 40 -3.477 -6.477 4.333 1.00 0.00 C ATOM 518 C LEU A 40 -2.919 -5.464 5.328 1.00 0.00 C ATOM 519 O LEU A 40 -1.707 -5.368 5.516 1.00 0.00 O ATOM 520 CB LEU A 40 -3.325 -5.944 2.907 1.00 0.00 C ATOM 521 CG LEU A 40 -3.181 -6.999 1.809 1.00 0.00 C ATOM 522 CD1 LEU A 40 -3.336 -6.363 0.436 1.00 0.00 C ATOM 523 CD2 LEU A 40 -1.840 -7.708 1.923 1.00 0.00 C ATOM 0 H LEU A 40 -5.521 -6.517 3.866 1.00 0.00 H new ATOM 0 HA LEU A 40 -2.912 -7.404 4.430 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -4.192 -5.325 2.677 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -2.451 -5.293 2.875 1.00 0.00 H new ATOM 0 HG LEU A 40 -3.971 -7.739 1.936 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -3.231 -7.128 -0.333 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -4.321 -5.902 0.357 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -2.568 -5.602 0.299 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -1.755 -8.455 1.134 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.034 -6.981 1.822 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -1.768 -8.197 2.895 1.00 0.00 H new ATOM 535 N GLN A 41 -3.813 -4.713 5.964 1.00 0.00 N ATOM 536 CA GLN A 41 -3.409 -3.709 6.941 1.00 0.00 C ATOM 537 C GLN A 41 -2.930 -4.367 8.231 1.00 0.00 C ATOM 538 O GLN A 41 -2.070 -3.830 8.929 1.00 0.00 O ATOM 539 CB GLN A 41 -4.572 -2.761 7.240 1.00 0.00 C ATOM 540 CG GLN A 41 -5.152 -2.100 6.000 1.00 0.00 C ATOM 541 CD GLN A 41 -6.372 -1.254 6.306 1.00 0.00 C ATOM 542 OE1 GLN A 41 -6.538 -0.765 7.424 1.00 0.00 O ATOM 543 NE2 GLN A 41 -7.234 -1.076 5.311 1.00 0.00 N ATOM 0 H GLN A 41 -4.821 -4.781 5.820 1.00 0.00 H new ATOM 0 HA GLN A 41 -2.583 -3.138 6.517 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -5.361 -3.316 7.748 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -4.232 -1.988 7.928 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -4.389 -1.476 5.535 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -5.420 -2.869 5.275 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -7.056 -1.500 4.400 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -8.073 -0.515 5.458 1.00 0.00 H new ATOM 552 N GLU A 42 -3.492 -5.531 8.541 1.00 0.00 N ATOM 553 CA GLU A 42 -3.122 -6.260 9.748 1.00 0.00 C ATOM 554 C GLU A 42 -1.803 -7.002 9.552 1.00 0.00 C ATOM 555 O GLU A 42 -0.938 -6.994 10.428 1.00 0.00 O ATOM 556 CB GLU A 42 -4.224 -7.249 10.131 1.00 0.00 C ATOM 557 CG GLU A 42 -5.606 -6.622 10.204 1.00 0.00 C ATOM 558 CD GLU A 42 -5.873 -5.952 11.538 1.00 0.00 C ATOM 559 OE1 GLU A 42 -5.460 -4.787 11.710 1.00 0.00 O ATOM 560 OE2 GLU A 42 -6.496 -6.594 12.410 1.00 0.00 O ATOM 0 H GLU A 42 -4.205 -5.989 7.973 1.00 0.00 H new ATOM 0 HA GLU A 42 -2.996 -5.537 10.554 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -4.241 -8.061 9.404 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -3.983 -7.692 11.098 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -5.710 -5.887 9.405 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -6.359 -7.391 10.030 1.00 0.00 H new ATOM 567 N ARG A 43 -1.657 -7.643 8.397 1.00 0.00 N ATOM 568 CA ARG A 43 -0.445 -8.392 8.087 1.00 0.00 C ATOM 569 C ARG A 43 0.796 -7.534 8.312 1.00 0.00 C ATOM 570 O ARG A 43 1.804 -8.009 8.836 1.00 0.00 O ATOM 571 CB ARG A 43 -0.482 -8.885 6.639 1.00 0.00 C ATOM 572 CG ARG A 43 -1.183 -10.223 6.468 1.00 0.00 C ATOM 573 CD ARG A 43 -1.697 -10.405 5.049 1.00 0.00 C ATOM 574 NE ARG A 43 -0.694 -11.011 4.177 1.00 0.00 N ATOM 575 CZ ARG A 43 -0.365 -12.297 4.217 1.00 0.00 C ATOM 576 NH1 ARG A 43 -0.958 -13.109 5.082 1.00 0.00 N ATOM 577 NH2 ARG A 43 0.557 -12.774 3.391 1.00 0.00 N ATOM 0 H ARG A 43 -2.363 -7.659 7.661 1.00 0.00 H new ATOM 0 HA ARG A 43 -0.397 -9.252 8.755 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -0.985 -8.140 6.023 1.00 0.00 H new ATOM 0 HB3 ARG A 43 0.539 -8.969 6.267 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -0.493 -11.030 6.713 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -2.015 -10.291 7.169 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -2.590 -11.030 5.064 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -1.993 -9.437 4.644 1.00 0.00 H new ATOM 0 HE ARG A 43 -0.220 -10.413 3.500 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -1.668 -12.746 5.718 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -0.704 -14.096 5.111 1.00 0.00 H new ATOM 0 HH21 ARG A 43 1.014 -12.153 2.724 1.00 0.00 H new ATOM 0 HH22 ARG A 43 0.808 -13.762 3.423 1.00 0.00 H new ATOM 591 N ALA A 44 0.716 -6.269 7.913 1.00 0.00 N ATOM 592 CA ALA A 44 1.832 -5.345 8.073 1.00 0.00 C ATOM 593 C ALA A 44 1.583 -4.378 9.224 1.00 0.00 C ATOM 594 O ALA A 44 2.522 -3.844 9.814 1.00 0.00 O ATOM 595 CB ALA A 44 2.073 -4.580 6.780 1.00 0.00 C ATOM 0 H ALA A 44 -0.110 -5.860 7.476 1.00 0.00 H new ATOM 0 HA ALA A 44 2.723 -5.927 8.309 1.00 0.00 H new ATOM 0 HB1 ALA A 44 2.909 -3.894 6.914 1.00 0.00 H new ATOM 0 HB2 ALA A 44 2.305 -5.282 5.979 1.00 0.00 H new ATOM 0 HB3 ALA A 44 1.178 -4.015 6.519 1.00 0.00 H new ATOM 601 N GLY A 45 0.310 -4.154 9.539 1.00 0.00 N ATOM 602 CA GLY A 45 -0.039 -3.250 10.619 1.00 0.00 C ATOM 603 C GLY A 45 -0.304 -1.839 10.131 1.00 0.00 C ATOM 604 O GLY A 45 -0.875 -1.022 10.853 1.00 0.00 O ATOM 0 H GLY A 45 -0.485 -4.583 9.065 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -0.924 -3.626 11.132 1.00 0.00 H new ATOM 0 HA3 GLY A 45 0.769 -3.233 11.350 1.00 0.00 H new ATOM 608 N VAL A 46 0.112 -1.552 8.901 1.00 0.00 N ATOM 609 CA VAL A 46 -0.084 -0.231 8.317 1.00 0.00 C ATOM 610 C VAL A 46 -1.464 -0.110 7.680 1.00 0.00 C ATOM 611 O VAL A 46 -2.154 -1.108 7.473 1.00 0.00 O ATOM 612 CB VAL A 46 0.988 0.078 7.255 1.00 0.00 C ATOM 613 CG1 VAL A 46 2.368 0.141 7.892 1.00 0.00 C ATOM 614 CG2 VAL A 46 0.952 -0.961 6.144 1.00 0.00 C ATOM 0 H VAL A 46 0.587 -2.217 8.290 1.00 0.00 H new ATOM 0 HA VAL A 46 0.002 0.490 9.130 1.00 0.00 H new ATOM 0 HB VAL A 46 0.771 1.052 6.818 1.00 0.00 H new ATOM 0 HG11 VAL A 46 3.112 0.360 7.127 1.00 0.00 H new ATOM 0 HG12 VAL A 46 2.384 0.925 8.649 1.00 0.00 H new ATOM 0 HG13 VAL A 46 2.598 -0.817 8.358 1.00 0.00 H new ATOM 0 HG21 VAL A 46 1.716 -0.727 5.402 1.00 0.00 H new ATOM 0 HG22 VAL A 46 1.143 -1.949 6.563 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -0.029 -0.952 5.669 1.00 0.00 H new ATOM 624 N LYS A 47 -1.861 1.120 7.371 1.00 0.00 N ATOM 625 CA LYS A 47 -3.158 1.373 6.755 1.00 0.00 C ATOM 626 C LYS A 47 -3.024 1.514 5.242 1.00 0.00 C ATOM 627 O LYS A 47 -2.132 2.204 4.750 1.00 0.00 O ATOM 628 CB LYS A 47 -3.785 2.640 7.342 1.00 0.00 C ATOM 629 CG LYS A 47 -5.304 2.615 7.358 1.00 0.00 C ATOM 630 CD LYS A 47 -5.874 3.858 8.019 1.00 0.00 C ATOM 631 CE LYS A 47 -7.366 3.996 7.754 1.00 0.00 C ATOM 632 NZ LYS A 47 -7.888 5.318 8.197 1.00 0.00 N ATOM 0 H LYS A 47 -1.303 1.957 7.537 1.00 0.00 H new ATOM 0 HA LYS A 47 -3.805 0.522 6.967 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -3.421 2.777 8.360 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -3.450 3.502 6.765 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -5.679 2.540 6.337 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -5.649 1.728 7.890 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -5.697 3.814 9.094 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -5.354 4.741 7.646 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -7.559 3.868 6.689 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -7.902 3.201 8.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -8.908 5.373 7.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -7.727 5.430 9.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -7.395 6.076 7.683 1.00 0.00 H new ATOM 646 N MET A 48 -3.917 0.856 4.510 1.00 0.00 N ATOM 647 CA MET A 48 -3.899 0.910 3.053 1.00 0.00 C ATOM 648 C MET A 48 -5.152 1.597 2.519 1.00 0.00 C ATOM 649 O MET A 48 -6.273 1.216 2.858 1.00 0.00 O ATOM 650 CB MET A 48 -3.789 -0.500 2.470 1.00 0.00 C ATOM 651 CG MET A 48 -2.384 -1.077 2.535 1.00 0.00 C ATOM 652 SD MET A 48 -2.306 -2.782 1.953 1.00 0.00 S ATOM 653 CE MET A 48 -0.725 -3.295 2.622 1.00 0.00 C ATOM 0 H MET A 48 -4.662 0.280 4.902 1.00 0.00 H new ATOM 0 HA MET A 48 -3.029 1.491 2.747 1.00 0.00 H new ATOM 0 HB2 MET A 48 -4.469 -1.161 3.007 1.00 0.00 H new ATOM 0 HB3 MET A 48 -4.117 -0.481 1.431 1.00 0.00 H new ATOM 0 HG2 MET A 48 -1.714 -0.461 1.935 1.00 0.00 H new ATOM 0 HG3 MET A 48 -2.024 -1.031 3.563 1.00 0.00 H new ATOM 0 HE1 MET A 48 -0.549 -4.342 2.377 1.00 0.00 H new ATOM 0 HE2 MET A 48 0.068 -2.683 2.192 1.00 0.00 H new ATOM 0 HE3 MET A 48 -0.731 -3.172 3.705 1.00 0.00 H new ATOM 663 N VAL A 49 -4.955 2.612 1.683 1.00 0.00 N ATOM 664 CA VAL A 49 -6.069 3.351 1.102 1.00 0.00 C ATOM 665 C VAL A 49 -5.782 3.728 -0.347 1.00 0.00 C ATOM 666 O VAL A 49 -4.820 4.439 -0.635 1.00 0.00 O ATOM 667 CB VAL A 49 -6.372 4.631 1.904 1.00 0.00 C ATOM 668 CG1 VAL A 49 -7.482 5.429 1.237 1.00 0.00 C ATOM 669 CG2 VAL A 49 -6.741 4.286 3.339 1.00 0.00 C ATOM 0 H VAL A 49 -4.034 2.941 1.393 1.00 0.00 H new ATOM 0 HA VAL A 49 -6.938 2.694 1.138 1.00 0.00 H new ATOM 0 HB VAL A 49 -5.474 5.248 1.922 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -7.682 6.329 1.818 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -7.174 5.708 0.229 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -8.386 4.822 1.185 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -6.952 5.202 3.891 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -7.625 3.648 3.344 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -5.911 3.760 3.812 1.00 0.00 H new ATOM 679 N MET A 50 -6.625 3.248 -1.255 1.00 0.00 N ATOM 680 CA MET A 50 -6.463 3.536 -2.675 1.00 0.00 C ATOM 681 C MET A 50 -6.964 4.939 -3.006 1.00 0.00 C ATOM 682 O MET A 50 -8.112 5.281 -2.721 1.00 0.00 O ATOM 683 CB MET A 50 -7.214 2.503 -3.517 1.00 0.00 C ATOM 684 CG MET A 50 -6.373 1.291 -3.885 1.00 0.00 C ATOM 685 SD MET A 50 -6.180 0.137 -2.514 1.00 0.00 S ATOM 686 CE MET A 50 -5.450 -1.267 -3.353 1.00 0.00 C ATOM 0 H MET A 50 -7.427 2.658 -1.033 1.00 0.00 H new ATOM 0 HA MET A 50 -5.400 3.483 -2.911 1.00 0.00 H new ATOM 0 HB2 MET A 50 -8.095 2.170 -2.968 1.00 0.00 H new ATOM 0 HB3 MET A 50 -7.569 2.980 -4.431 1.00 0.00 H new ATOM 0 HG2 MET A 50 -6.835 0.775 -4.727 1.00 0.00 H new ATOM 0 HG3 MET A 50 -5.389 1.623 -4.216 1.00 0.00 H new ATOM 0 HE1 MET A 50 -5.514 -2.147 -2.713 1.00 0.00 H new ATOM 0 HE2 MET A 50 -5.987 -1.455 -4.283 1.00 0.00 H new ATOM 0 HE3 MET A 50 -4.404 -1.055 -3.574 1.00 0.00 H new ATOM 696 N ILE A 51 -6.096 5.746 -3.607 1.00 0.00 N ATOM 697 CA ILE A 51 -6.451 7.110 -3.977 1.00 0.00 C ATOM 698 C ILE A 51 -6.887 7.189 -5.436 1.00 0.00 C ATOM 699 O ILE A 51 -6.144 6.802 -6.337 1.00 0.00 O ATOM 700 CB ILE A 51 -5.275 8.079 -3.751 1.00 0.00 C ATOM 701 CG1 ILE A 51 -4.574 7.764 -2.428 1.00 0.00 C ATOM 702 CG2 ILE A 51 -5.765 9.519 -3.768 1.00 0.00 C ATOM 703 CD1 ILE A 51 -5.357 8.200 -1.210 1.00 0.00 C ATOM 0 H ILE A 51 -5.142 5.478 -3.848 1.00 0.00 H new ATOM 0 HA ILE A 51 -7.282 7.404 -3.336 1.00 0.00 H new ATOM 0 HB ILE A 51 -4.556 7.951 -4.561 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -4.393 6.691 -2.369 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -3.600 8.252 -2.417 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -4.923 10.192 -3.607 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -6.223 9.736 -4.733 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -6.500 9.662 -2.976 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -4.800 7.945 -0.309 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -5.515 9.278 -1.246 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -6.321 7.692 -1.196 1.00 0.00 H new ATOM 715 N GLN A 52 -8.096 7.693 -5.660 1.00 0.00 N ATOM 716 CA GLN A 52 -8.631 7.824 -7.010 1.00 0.00 C ATOM 717 C GLN A 52 -8.420 9.237 -7.545 1.00 0.00 C ATOM 718 O GLN A 52 -8.077 9.425 -8.712 1.00 0.00 O ATOM 719 CB GLN A 52 -10.120 7.476 -7.028 1.00 0.00 C ATOM 720 CG GLN A 52 -10.640 7.096 -8.405 1.00 0.00 C ATOM 721 CD GLN A 52 -10.992 8.304 -9.250 1.00 0.00 C ATOM 722 OE1 GLN A 52 -10.868 9.445 -8.804 1.00 0.00 O ATOM 723 NE2 GLN A 52 -11.436 8.060 -10.477 1.00 0.00 N ATOM 0 H GLN A 52 -8.724 8.017 -4.924 1.00 0.00 H new ATOM 0 HA GLN A 52 -8.095 7.127 -7.655 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -10.300 6.650 -6.340 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -10.688 8.329 -6.657 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -9.886 6.503 -8.923 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -11.522 6.465 -8.295 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -11.523 7.098 -10.806 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -11.690 8.834 -11.091 1.00 0.00 H new ATOM 732 N ASP A 53 -8.628 10.227 -6.684 1.00 0.00 N ATOM 733 CA ASP A 53 -8.460 11.623 -7.069 1.00 0.00 C ATOM 734 C ASP A 53 -7.284 12.254 -6.329 1.00 0.00 C ATOM 735 O ASP A 53 -7.372 12.546 -5.137 1.00 0.00 O ATOM 736 CB ASP A 53 -9.740 12.410 -6.783 1.00 0.00 C ATOM 737 CG ASP A 53 -9.728 13.786 -7.421 1.00 0.00 C ATOM 738 OD1 ASP A 53 -10.063 13.887 -8.620 1.00 0.00 O ATOM 739 OD2 ASP A 53 -9.384 14.761 -6.721 1.00 0.00 O ATOM 0 H ASP A 53 -8.913 10.088 -5.715 1.00 0.00 H new ATOM 0 HA ASP A 53 -8.253 11.657 -8.139 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -10.598 11.849 -7.152 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -9.866 12.513 -5.705 1.00 0.00 H new ATOM 744 N GLY A 54 -6.183 12.460 -7.045 1.00 0.00 N ATOM 745 CA GLY A 54 -5.005 13.053 -6.439 1.00 0.00 C ATOM 746 C GLY A 54 -4.150 13.799 -7.444 1.00 0.00 C ATOM 747 O GLY A 54 -4.339 14.990 -7.690 1.00 0.00 O ATOM 0 H GLY A 54 -6.086 12.227 -8.033 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -5.312 13.738 -5.649 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -4.409 12.271 -5.969 1.00 0.00 H new ATOM 751 N PRO A 55 -3.181 13.091 -8.044 1.00 0.00 N ATOM 752 CA PRO A 55 -2.273 13.674 -9.037 1.00 0.00 C ATOM 753 C PRO A 55 -2.981 14.002 -10.347 1.00 0.00 C ATOM 754 O PRO A 55 -3.732 13.184 -10.878 1.00 0.00 O ATOM 755 CB PRO A 55 -1.230 12.575 -9.252 1.00 0.00 C ATOM 756 CG PRO A 55 -1.933 11.310 -8.897 1.00 0.00 C ATOM 757 CD PRO A 55 -2.898 11.667 -7.800 1.00 0.00 C ATOM 0 HA PRO A 55 -1.851 14.620 -8.698 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -0.881 12.557 -10.284 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -0.354 12.732 -8.622 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -2.457 10.899 -9.760 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -1.226 10.551 -8.563 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -3.804 11.063 -7.850 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -2.462 11.507 -6.814 1.00 0.00 H new ATOM 765 N GLN A 56 -2.735 15.202 -10.863 1.00 0.00 N ATOM 766 CA GLN A 56 -3.349 15.636 -12.112 1.00 0.00 C ATOM 767 C GLN A 56 -3.514 14.464 -13.074 1.00 0.00 C ATOM 768 O GLN A 56 -2.573 13.711 -13.316 1.00 0.00 O ATOM 769 CB GLN A 56 -2.506 16.733 -12.765 1.00 0.00 C ATOM 770 CG GLN A 56 -2.705 18.105 -12.142 1.00 0.00 C ATOM 771 CD GLN A 56 -1.789 19.155 -12.738 1.00 0.00 C ATOM 772 OE1 GLN A 56 -2.162 19.863 -13.674 1.00 0.00 O ATOM 773 NE2 GLN A 56 -0.580 19.262 -12.198 1.00 0.00 N ATOM 0 H GLN A 56 -2.115 15.890 -10.436 1.00 0.00 H new ATOM 0 HA GLN A 56 -4.337 16.035 -11.882 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -1.453 16.461 -12.695 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -2.752 16.786 -13.826 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -3.742 18.414 -12.277 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -2.528 18.041 -11.068 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -0.312 18.655 -11.423 1.00 0.00 H new ATOM 0 HE22 GLN A 56 0.080 19.951 -12.558 1.00 0.00 H new ATOM 782 N ASN A 57 -4.717 14.318 -13.619 1.00 0.00 N ATOM 783 CA ASN A 57 -5.006 13.237 -14.555 1.00 0.00 C ATOM 784 C ASN A 57 -3.786 12.921 -15.415 1.00 0.00 C ATOM 785 O ASN A 57 -3.319 13.763 -16.183 1.00 0.00 O ATOM 786 CB ASN A 57 -6.191 13.610 -15.448 1.00 0.00 C ATOM 787 CG ASN A 57 -5.956 14.899 -16.211 1.00 0.00 C ATOM 788 OD1 ASN A 57 -5.136 15.728 -15.815 1.00 0.00 O ATOM 789 ND2 ASN A 57 -6.677 15.074 -17.312 1.00 0.00 N ATOM 0 H ASN A 57 -5.507 14.934 -13.429 1.00 0.00 H new ATOM 0 HA ASN A 57 -5.261 12.349 -13.977 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -6.379 12.802 -16.155 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -7.087 13.712 -14.835 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -6.563 15.922 -17.867 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -7.345 14.360 -17.603 1.00 0.00 H new ATOM 796 N THR A 58 -3.274 11.702 -15.281 1.00 0.00 N ATOM 797 CA THR A 58 -2.108 11.275 -16.045 1.00 0.00 C ATOM 798 C THR A 58 -2.003 9.754 -16.084 1.00 0.00 C ATOM 799 O THR A 58 -2.347 9.074 -15.119 1.00 0.00 O ATOM 800 CB THR A 58 -0.807 11.852 -15.455 1.00 0.00 C ATOM 801 OG1 THR A 58 0.321 11.370 -16.193 1.00 0.00 O ATOM 802 CG2 THR A 58 -0.662 11.472 -13.990 1.00 0.00 C ATOM 0 H THR A 58 -3.648 10.993 -14.651 1.00 0.00 H new ATOM 0 HA THR A 58 -2.239 11.654 -17.058 1.00 0.00 H new ATOM 0 HB THR A 58 -0.851 12.939 -15.529 1.00 0.00 H new ATOM 0 HG1 THR A 58 1.144 11.743 -15.813 1.00 0.00 H new ATOM 0 HG21 THR A 58 0.264 11.891 -13.595 1.00 0.00 H new ATOM 0 HG22 THR A 58 -1.508 11.866 -13.426 1.00 0.00 H new ATOM 0 HG23 THR A 58 -0.638 10.386 -13.896 1.00 0.00 H new ATOM 810 N GLY A 59 -1.525 9.227 -17.207 1.00 0.00 N ATOM 811 CA GLY A 59 -1.383 7.790 -17.350 1.00 0.00 C ATOM 812 C GLY A 59 -2.615 7.037 -16.889 1.00 0.00 C ATOM 813 O GLY A 59 -3.668 7.633 -16.666 1.00 0.00 O ATOM 0 H GLY A 59 -1.234 9.770 -18.020 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -1.184 7.550 -18.394 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -0.520 7.454 -16.775 1.00 0.00 H new ATOM 817 N ALA A 60 -2.484 5.722 -16.746 1.00 0.00 N ATOM 818 CA ALA A 60 -3.595 4.887 -16.308 1.00 0.00 C ATOM 819 C ALA A 60 -3.188 4.004 -15.133 1.00 0.00 C ATOM 820 O ALA A 60 -2.664 2.906 -15.322 1.00 0.00 O ATOM 821 CB ALA A 60 -4.101 4.033 -17.462 1.00 0.00 C ATOM 0 H ALA A 60 -1.619 5.212 -16.927 1.00 0.00 H new ATOM 0 HA ALA A 60 -4.400 5.542 -15.975 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -4.931 3.414 -17.120 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -4.440 4.679 -18.272 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -3.295 3.393 -17.821 1.00 0.00 H new ATOM 827 N ASP A 61 -3.432 4.490 -13.921 1.00 0.00 N ATOM 828 CA ASP A 61 -3.091 3.745 -12.715 1.00 0.00 C ATOM 829 C ASP A 61 -3.585 4.472 -11.469 1.00 0.00 C ATOM 830 O ASP A 61 -3.472 5.694 -11.364 1.00 0.00 O ATOM 831 CB ASP A 61 -1.578 3.533 -12.632 1.00 0.00 C ATOM 832 CG ASP A 61 -0.811 4.840 -12.606 1.00 0.00 C ATOM 833 OD1 ASP A 61 -0.682 5.430 -11.513 1.00 0.00 O ATOM 834 OD2 ASP A 61 -0.340 5.273 -13.678 1.00 0.00 O ATOM 0 H ASP A 61 -3.865 5.397 -13.748 1.00 0.00 H new ATOM 0 HA ASP A 61 -3.584 2.774 -12.766 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -1.343 2.959 -11.735 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -1.250 2.939 -13.485 1.00 0.00 H new ATOM 839 N LYS A 62 -4.133 3.714 -10.526 1.00 0.00 N ATOM 840 CA LYS A 62 -4.645 4.285 -9.285 1.00 0.00 C ATOM 841 C LYS A 62 -3.558 4.326 -8.216 1.00 0.00 C ATOM 842 O LYS A 62 -3.042 3.296 -7.781 1.00 0.00 O ATOM 843 CB LYS A 62 -5.840 3.474 -8.782 1.00 0.00 C ATOM 844 CG LYS A 62 -6.833 3.112 -9.873 1.00 0.00 C ATOM 845 CD LYS A 62 -7.587 4.334 -10.369 1.00 0.00 C ATOM 846 CE LYS A 62 -6.874 4.991 -11.541 1.00 0.00 C ATOM 847 NZ LYS A 62 -7.469 6.314 -11.881 1.00 0.00 N ATOM 0 H LYS A 62 -4.234 2.702 -10.597 1.00 0.00 H new ATOM 0 HA LYS A 62 -4.967 5.306 -9.489 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -5.476 2.559 -8.315 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -6.355 4.043 -8.008 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -6.306 2.646 -10.706 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -7.541 2.376 -9.492 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -8.594 4.044 -10.670 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -7.692 5.053 -9.556 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -5.819 5.119 -11.299 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -6.925 4.336 -12.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -6.956 6.729 -12.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -8.469 6.189 -12.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -7.398 6.948 -11.060 1.00 0.00 H new ATOM 861 N PRO A 63 -3.201 5.543 -7.780 1.00 0.00 N ATOM 862 CA PRO A 63 -2.173 5.746 -6.754 1.00 0.00 C ATOM 863 C PRO A 63 -2.629 5.278 -5.376 1.00 0.00 C ATOM 864 O PRO A 63 -3.502 5.889 -4.759 1.00 0.00 O ATOM 865 CB PRO A 63 -1.960 7.262 -6.761 1.00 0.00 C ATOM 866 CG PRO A 63 -3.243 7.822 -7.272 1.00 0.00 C ATOM 867 CD PRO A 63 -3.773 6.814 -8.254 1.00 0.00 C ATOM 0 HA PRO A 63 -1.269 5.174 -6.963 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -1.735 7.635 -5.762 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -1.123 7.541 -7.401 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -3.950 7.983 -6.458 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -3.084 8.788 -7.752 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -4.863 6.789 -8.255 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -3.458 7.041 -9.273 1.00 0.00 H new ATOM 875 N LEU A 64 -2.032 4.192 -4.899 1.00 0.00 N ATOM 876 CA LEU A 64 -2.376 3.642 -3.592 1.00 0.00 C ATOM 877 C LEU A 64 -1.532 4.279 -2.493 1.00 0.00 C ATOM 878 O LEU A 64 -0.302 4.259 -2.551 1.00 0.00 O ATOM 879 CB LEU A 64 -2.179 2.125 -3.587 1.00 0.00 C ATOM 880 CG LEU A 64 -1.806 1.501 -2.242 1.00 0.00 C ATOM 881 CD1 LEU A 64 -2.842 1.852 -1.185 1.00 0.00 C ATOM 882 CD2 LEU A 64 -1.667 -0.009 -2.375 1.00 0.00 C ATOM 0 H LEU A 64 -1.308 3.675 -5.397 1.00 0.00 H new ATOM 0 HA LEU A 64 -3.424 3.867 -3.396 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -3.099 1.658 -3.939 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -1.400 1.878 -4.308 1.00 0.00 H new ATOM 0 HG LEU A 64 -0.845 1.908 -1.928 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -2.560 1.399 -0.234 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -2.892 2.935 -1.070 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -3.817 1.474 -1.492 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -1.401 -0.436 -1.408 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -2.613 -0.433 -2.712 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -0.887 -0.240 -3.101 1.00 0.00 H new ATOM 894 N ARG A 65 -2.200 4.843 -1.492 1.00 0.00 N ATOM 895 CA ARG A 65 -1.511 5.486 -0.380 1.00 0.00 C ATOM 896 C ARG A 65 -1.436 4.552 0.825 1.00 0.00 C ATOM 897 O ARG A 65 -2.459 4.086 1.326 1.00 0.00 O ATOM 898 CB ARG A 65 -2.225 6.781 0.010 1.00 0.00 C ATOM 899 CG ARG A 65 -1.430 7.649 0.973 1.00 0.00 C ATOM 900 CD ARG A 65 -2.072 9.016 1.150 1.00 0.00 C ATOM 901 NE ARG A 65 -1.825 9.568 2.479 1.00 0.00 N ATOM 902 CZ ARG A 65 -2.222 10.778 2.858 1.00 0.00 C ATOM 903 NH1 ARG A 65 -2.880 11.558 2.012 1.00 0.00 N ATOM 904 NH2 ARG A 65 -1.960 11.210 4.085 1.00 0.00 N ATOM 0 H ARG A 65 -3.218 4.868 -1.428 1.00 0.00 H new ATOM 0 HA ARG A 65 -0.496 5.721 -0.701 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -2.437 7.355 -0.892 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -3.185 6.534 0.464 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -1.359 7.151 1.940 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -0.412 7.769 0.601 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -1.683 9.700 0.395 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -3.146 8.936 0.984 1.00 0.00 H new ATOM 0 HE ARG A 65 -1.320 8.993 3.153 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -3.083 11.230 1.068 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -3.184 12.487 2.305 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -1.453 10.613 4.739 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -2.265 12.139 4.375 1.00 0.00 H new ATOM 918 N ILE A 66 -0.218 4.283 1.283 1.00 0.00 N ATOM 919 CA ILE A 66 -0.009 3.406 2.429 1.00 0.00 C ATOM 920 C ILE A 66 0.565 4.176 3.613 1.00 0.00 C ATOM 921 O ILE A 66 1.756 4.487 3.648 1.00 0.00 O ATOM 922 CB ILE A 66 0.936 2.242 2.081 1.00 0.00 C ATOM 923 CG1 ILE A 66 0.360 1.413 0.931 1.00 0.00 C ATOM 924 CG2 ILE A 66 1.172 1.368 3.304 1.00 0.00 C ATOM 925 CD1 ILE A 66 1.161 0.168 0.622 1.00 0.00 C ATOM 0 H ILE A 66 0.639 4.660 0.878 1.00 0.00 H new ATOM 0 HA ILE A 66 -0.985 3.003 2.700 1.00 0.00 H new ATOM 0 HB ILE A 66 1.893 2.654 1.762 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -0.662 1.125 1.178 1.00 0.00 H new ATOM 0 HG13 ILE A 66 0.309 2.034 0.036 1.00 0.00 H new ATOM 0 HG21 ILE A 66 1.842 0.549 3.042 1.00 0.00 H new ATOM 0 HG22 ILE A 66 1.622 1.966 4.097 1.00 0.00 H new ATOM 0 HG23 ILE A 66 0.221 0.962 3.650 1.00 0.00 H new ATOM 0 HD11 ILE A 66 0.694 -0.370 -0.203 1.00 0.00 H new ATOM 0 HD12 ILE A 66 2.177 0.449 0.344 1.00 0.00 H new ATOM 0 HD13 ILE A 66 1.190 -0.474 1.503 1.00 0.00 H new ATOM 937 N THR A 67 -0.291 4.480 4.585 1.00 0.00 N ATOM 938 CA THR A 67 0.131 5.213 5.772 1.00 0.00 C ATOM 939 C THR A 67 0.418 4.265 6.930 1.00 0.00 C ATOM 940 O THR A 67 -0.151 3.176 7.010 1.00 0.00 O ATOM 941 CB THR A 67 -0.937 6.233 6.211 1.00 0.00 C ATOM 942 OG1 THR A 67 -2.244 5.744 5.887 1.00 0.00 O ATOM 943 CG2 THR A 67 -0.711 7.577 5.536 1.00 0.00 C ATOM 0 H THR A 67 -1.280 4.230 4.573 1.00 0.00 H new ATOM 0 HA THR A 67 1.044 5.745 5.507 1.00 0.00 H new ATOM 0 HB THR A 67 -0.857 6.368 7.290 1.00 0.00 H new ATOM 0 HG1 THR A 67 -2.917 6.397 6.171 1.00 0.00 H new ATOM 0 HG21 THR A 67 -1.477 8.281 5.861 1.00 0.00 H new ATOM 0 HG22 THR A 67 0.273 7.960 5.808 1.00 0.00 H new ATOM 0 HG23 THR A 67 -0.766 7.455 4.454 1.00 0.00 H new ATOM 951 N GLY A 68 1.304 4.685 7.828 1.00 0.00 N ATOM 952 CA GLY A 68 1.650 3.861 8.971 1.00 0.00 C ATOM 953 C GLY A 68 3.013 4.201 9.540 1.00 0.00 C ATOM 954 O GLY A 68 3.274 5.350 9.900 1.00 0.00 O ATOM 0 H GLY A 68 1.788 5.582 7.784 1.00 0.00 H new ATOM 0 HA2 GLY A 68 0.895 3.986 9.747 1.00 0.00 H new ATOM 0 HA3 GLY A 68 1.634 2.812 8.676 1.00 0.00 H new ATOM 958 N ASP A 69 3.884 3.202 9.623 1.00 0.00 N ATOM 959 CA ASP A 69 5.228 3.401 10.153 1.00 0.00 C ATOM 960 C ASP A 69 6.258 3.426 9.028 1.00 0.00 C ATOM 961 O ASP A 69 6.029 2.912 7.933 1.00 0.00 O ATOM 962 CB ASP A 69 5.574 2.297 11.153 1.00 0.00 C ATOM 963 CG ASP A 69 5.225 2.677 12.579 1.00 0.00 C ATOM 964 OD1 ASP A 69 5.761 3.692 13.070 1.00 0.00 O ATOM 965 OD2 ASP A 69 4.417 1.958 13.204 1.00 0.00 O ATOM 0 H ASP A 69 3.684 2.246 9.330 1.00 0.00 H new ATOM 0 HA ASP A 69 5.251 4.364 10.664 1.00 0.00 H new ATOM 0 HB2 ASP A 69 5.041 1.386 10.882 1.00 0.00 H new ATOM 0 HB3 ASP A 69 6.639 2.074 11.090 1.00 0.00 H new ATOM 970 N PRO A 70 7.419 4.038 9.301 1.00 0.00 N ATOM 971 CA PRO A 70 8.507 4.146 8.325 1.00 0.00 C ATOM 972 C PRO A 70 9.170 2.801 8.045 1.00 0.00 C ATOM 973 O PRO A 70 9.698 2.573 6.956 1.00 0.00 O ATOM 974 CB PRO A 70 9.497 5.099 8.999 1.00 0.00 C ATOM 975 CG PRO A 70 9.233 4.950 10.457 1.00 0.00 C ATOM 976 CD PRO A 70 7.760 4.673 10.586 1.00 0.00 C ATOM 0 HA PRO A 70 8.151 4.495 7.356 1.00 0.00 H new ATOM 0 HB2 PRO A 70 10.527 4.838 8.754 1.00 0.00 H new ATOM 0 HB3 PRO A 70 9.342 6.127 8.672 1.00 0.00 H new ATOM 0 HG2 PRO A 70 9.822 4.135 10.879 1.00 0.00 H new ATOM 0 HG3 PRO A 70 9.509 5.855 10.998 1.00 0.00 H new ATOM 0 HD2 PRO A 70 7.547 4.015 11.429 1.00 0.00 H new ATOM 0 HD3 PRO A 70 7.191 5.589 10.745 1.00 0.00 H new ATOM 984 N TYR A 71 9.137 1.914 9.033 1.00 0.00 N ATOM 985 CA TYR A 71 9.737 0.592 8.893 1.00 0.00 C ATOM 986 C TYR A 71 8.719 -0.415 8.367 1.00 0.00 C ATOM 987 O TYR A 71 9.082 -1.435 7.782 1.00 0.00 O ATOM 988 CB TYR A 71 10.293 0.117 10.237 1.00 0.00 C ATOM 989 CG TYR A 71 10.904 -1.265 10.184 1.00 0.00 C ATOM 990 CD1 TYR A 71 10.104 -2.401 10.184 1.00 0.00 C ATOM 991 CD2 TYR A 71 12.283 -1.435 10.134 1.00 0.00 C ATOM 992 CE1 TYR A 71 10.659 -3.665 10.136 1.00 0.00 C ATOM 993 CE2 TYR A 71 12.846 -2.695 10.085 1.00 0.00 C ATOM 994 CZ TYR A 71 12.030 -3.807 10.087 1.00 0.00 C ATOM 995 OH TYR A 71 12.586 -5.065 10.038 1.00 0.00 O ATOM 0 H TYR A 71 8.701 2.086 9.939 1.00 0.00 H new ATOM 0 HA TYR A 71 10.553 0.665 8.174 1.00 0.00 H new ATOM 0 HB2 TYR A 71 11.047 0.826 10.580 1.00 0.00 H new ATOM 0 HB3 TYR A 71 9.491 0.123 10.975 1.00 0.00 H new ATOM 0 HD1 TYR A 71 9.030 -2.294 10.222 1.00 0.00 H new ATOM 0 HD2 TYR A 71 12.925 -0.567 10.133 1.00 0.00 H new ATOM 0 HE1 TYR A 71 10.023 -4.538 10.137 1.00 0.00 H new ATOM 0 HE2 TYR A 71 13.919 -2.809 10.045 1.00 0.00 H new ATOM 0 HH TYR A 71 13.563 -4.990 10.006 1.00 0.00 H new ATOM 1005 N LYS A 72 7.441 -0.120 8.579 1.00 0.00 N ATOM 1006 CA LYS A 72 6.367 -0.996 8.125 1.00 0.00 C ATOM 1007 C LYS A 72 5.848 -0.558 6.759 1.00 0.00 C ATOM 1008 O LYS A 72 5.836 -1.340 5.809 1.00 0.00 O ATOM 1009 CB LYS A 72 5.222 -1.001 9.140 1.00 0.00 C ATOM 1010 CG LYS A 72 5.684 -1.167 10.577 1.00 0.00 C ATOM 1011 CD LYS A 72 4.520 -1.472 11.506 1.00 0.00 C ATOM 1012 CE LYS A 72 4.281 -2.969 11.627 1.00 0.00 C ATOM 1013 NZ LYS A 72 5.102 -3.576 12.711 1.00 0.00 N ATOM 0 H LYS A 72 7.123 0.720 9.063 1.00 0.00 H new ATOM 0 HA LYS A 72 6.769 -2.005 8.035 1.00 0.00 H new ATOM 0 HB2 LYS A 72 4.665 -0.068 9.052 1.00 0.00 H new ATOM 0 HB3 LYS A 72 4.532 -1.808 8.893 1.00 0.00 H new ATOM 0 HG2 LYS A 72 6.417 -1.972 10.634 1.00 0.00 H new ATOM 0 HG3 LYS A 72 6.185 -0.257 10.907 1.00 0.00 H new ATOM 0 HD2 LYS A 72 4.721 -1.054 12.492 1.00 0.00 H new ATOM 0 HD3 LYS A 72 3.618 -0.988 11.132 1.00 0.00 H new ATOM 0 HE2 LYS A 72 3.225 -3.153 11.825 1.00 0.00 H new ATOM 0 HE3 LYS A 72 4.517 -3.452 10.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 4.910 -4.597 12.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 6.111 -3.423 12.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 4.859 -3.133 13.620 1.00 0.00 H new ATOM 1027 N VAL A 73 5.420 0.698 6.668 1.00 0.00 N ATOM 1028 CA VAL A 73 4.903 1.240 5.418 1.00 0.00 C ATOM 1029 C VAL A 73 5.714 0.745 4.226 1.00 0.00 C ATOM 1030 O VAL A 73 5.171 0.517 3.146 1.00 0.00 O ATOM 1031 CB VAL A 73 4.913 2.780 5.428 1.00 0.00 C ATOM 1032 CG1 VAL A 73 4.636 3.325 4.035 1.00 0.00 C ATOM 1033 CG2 VAL A 73 3.899 3.313 6.429 1.00 0.00 C ATOM 0 H VAL A 73 5.421 1.358 7.445 1.00 0.00 H new ATOM 0 HA VAL A 73 3.875 0.891 5.323 1.00 0.00 H new ATOM 0 HB VAL A 73 5.903 3.117 5.734 1.00 0.00 H new ATOM 0 HG11 VAL A 73 4.647 4.415 4.062 1.00 0.00 H new ATOM 0 HG12 VAL A 73 5.403 2.971 3.347 1.00 0.00 H new ATOM 0 HG13 VAL A 73 3.659 2.980 3.697 1.00 0.00 H new ATOM 0 HG21 VAL A 73 3.920 4.403 6.423 1.00 0.00 H new ATOM 0 HG22 VAL A 73 2.902 2.967 6.156 1.00 0.00 H new ATOM 0 HG23 VAL A 73 4.148 2.951 7.427 1.00 0.00 H new ATOM 1043 N GLN A 74 7.017 0.581 4.432 1.00 0.00 N ATOM 1044 CA GLN A 74 7.903 0.113 3.373 1.00 0.00 C ATOM 1045 C GLN A 74 7.724 -1.383 3.135 1.00 0.00 C ATOM 1046 O GLN A 74 7.769 -1.849 1.997 1.00 0.00 O ATOM 1047 CB GLN A 74 9.360 0.414 3.728 1.00 0.00 C ATOM 1048 CG GLN A 74 9.671 1.899 3.813 1.00 0.00 C ATOM 1049 CD GLN A 74 9.785 2.550 2.448 1.00 0.00 C ATOM 1050 OE1 GLN A 74 8.830 2.561 1.671 1.00 0.00 O ATOM 1051 NE2 GLN A 74 10.958 3.097 2.149 1.00 0.00 N ATOM 0 H GLN A 74 7.482 0.765 5.321 1.00 0.00 H new ATOM 0 HA GLN A 74 7.643 0.642 2.456 1.00 0.00 H new ATOM 0 HB2 GLN A 74 9.596 -0.054 4.684 1.00 0.00 H new ATOM 0 HB3 GLN A 74 10.009 -0.042 2.981 1.00 0.00 H new ATOM 0 HG2 GLN A 74 8.889 2.398 4.385 1.00 0.00 H new ATOM 0 HG3 GLN A 74 10.604 2.040 4.358 1.00 0.00 H new ATOM 0 HE21 GLN A 74 11.722 3.065 2.823 1.00 0.00 H new ATOM 0 HE22 GLN A 74 11.094 3.549 1.245 1.00 0.00 H new ATOM 1060 N GLN A 75 7.522 -2.129 4.216 1.00 0.00 N ATOM 1061 CA GLN A 75 7.338 -3.573 4.124 1.00 0.00 C ATOM 1062 C GLN A 75 6.006 -3.910 3.461 1.00 0.00 C ATOM 1063 O GLN A 75 5.936 -4.779 2.593 1.00 0.00 O ATOM 1064 CB GLN A 75 7.404 -4.206 5.515 1.00 0.00 C ATOM 1065 CG GLN A 75 8.813 -4.292 6.078 1.00 0.00 C ATOM 1066 CD GLN A 75 9.757 -5.061 5.174 1.00 0.00 C ATOM 1067 OE1 GLN A 75 10.455 -4.477 4.345 1.00 0.00 O ATOM 1068 NE2 GLN A 75 9.784 -6.379 5.330 1.00 0.00 N ATOM 0 H GLN A 75 7.482 -1.758 5.165 1.00 0.00 H new ATOM 0 HA GLN A 75 8.142 -3.979 3.510 1.00 0.00 H new ATOM 0 HB2 GLN A 75 6.783 -3.627 6.199 1.00 0.00 H new ATOM 0 HB3 GLN A 75 6.978 -5.208 5.470 1.00 0.00 H new ATOM 0 HG2 GLN A 75 9.201 -3.285 6.230 1.00 0.00 H new ATOM 0 HG3 GLN A 75 8.781 -4.772 7.056 1.00 0.00 H new ATOM 0 HE21 GLN A 75 9.188 -6.822 6.030 1.00 0.00 H new ATOM 0 HE22 GLN A 75 10.400 -6.949 4.750 1.00 0.00 H new ATOM 1077 N ALA A 76 4.951 -3.217 3.878 1.00 0.00 N ATOM 1078 CA ALA A 76 3.622 -3.443 3.323 1.00 0.00 C ATOM 1079 C ALA A 76 3.597 -3.160 1.825 1.00 0.00 C ATOM 1080 O ALA A 76 3.116 -3.975 1.037 1.00 0.00 O ATOM 1081 CB ALA A 76 2.597 -2.578 4.042 1.00 0.00 C ATOM 0 H ALA A 76 4.991 -2.495 4.598 1.00 0.00 H new ATOM 0 HA ALA A 76 3.366 -4.492 3.472 1.00 0.00 H new ATOM 0 HB1 ALA A 76 1.609 -2.756 3.618 1.00 0.00 H new ATOM 0 HB2 ALA A 76 2.588 -2.830 5.102 1.00 0.00 H new ATOM 0 HB3 ALA A 76 2.859 -1.527 3.921 1.00 0.00 H new ATOM 1087 N LYS A 77 4.118 -2.001 1.437 1.00 0.00 N ATOM 1088 CA LYS A 77 4.156 -1.611 0.033 1.00 0.00 C ATOM 1089 C LYS A 77 4.453 -2.813 -0.858 1.00 0.00 C ATOM 1090 O LYS A 77 3.752 -3.056 -1.840 1.00 0.00 O ATOM 1091 CB LYS A 77 5.213 -0.526 -0.187 1.00 0.00 C ATOM 1092 CG LYS A 77 5.704 -0.437 -1.622 1.00 0.00 C ATOM 1093 CD LYS A 77 6.895 0.498 -1.747 1.00 0.00 C ATOM 1094 CE LYS A 77 8.208 -0.240 -1.535 1.00 0.00 C ATOM 1095 NZ LYS A 77 8.573 -0.318 -0.093 1.00 0.00 N ATOM 0 H LYS A 77 4.520 -1.315 2.076 1.00 0.00 H new ATOM 0 HA LYS A 77 3.176 -1.216 -0.235 1.00 0.00 H new ATOM 0 HB2 LYS A 77 4.798 0.438 0.107 1.00 0.00 H new ATOM 0 HB3 LYS A 77 6.063 -0.720 0.468 1.00 0.00 H new ATOM 0 HG2 LYS A 77 5.982 -1.430 -1.975 1.00 0.00 H new ATOM 0 HG3 LYS A 77 4.895 -0.085 -2.263 1.00 0.00 H new ATOM 0 HD2 LYS A 77 6.892 0.962 -2.733 1.00 0.00 H new ATOM 0 HD3 LYS A 77 6.806 1.302 -1.016 1.00 0.00 H new ATOM 0 HE2 LYS A 77 8.129 -1.247 -1.945 1.00 0.00 H new ATOM 0 HE3 LYS A 77 9.002 0.266 -2.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 9.605 -0.407 -0.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 8.255 0.545 0.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 8.114 -1.146 0.337 1.00 0.00 H new ATOM 1109 N GLU A 78 5.495 -3.561 -0.508 1.00 0.00 N ATOM 1110 CA GLU A 78 5.882 -4.738 -1.276 1.00 0.00 C ATOM 1111 C GLU A 78 4.767 -5.779 -1.276 1.00 0.00 C ATOM 1112 O GLU A 78 4.437 -6.350 -2.315 1.00 0.00 O ATOM 1113 CB GLU A 78 7.164 -5.347 -0.706 1.00 0.00 C ATOM 1114 CG GLU A 78 8.329 -4.373 -0.649 1.00 0.00 C ATOM 1115 CD GLU A 78 9.667 -5.071 -0.506 1.00 0.00 C ATOM 1116 OE1 GLU A 78 9.837 -6.157 -1.098 1.00 0.00 O ATOM 1117 OE2 GLU A 78 10.546 -4.530 0.199 1.00 0.00 O ATOM 0 H GLU A 78 6.086 -3.373 0.302 1.00 0.00 H new ATOM 0 HA GLU A 78 6.063 -4.426 -2.304 1.00 0.00 H new ATOM 0 HB2 GLU A 78 6.964 -5.719 0.299 1.00 0.00 H new ATOM 0 HB3 GLU A 78 7.449 -6.206 -1.313 1.00 0.00 H new ATOM 0 HG2 GLU A 78 8.335 -3.766 -1.555 1.00 0.00 H new ATOM 0 HG3 GLU A 78 8.187 -3.692 0.190 1.00 0.00 H new ATOM 1124 N MET A 79 4.191 -6.021 -0.103 1.00 0.00 N ATOM 1125 CA MET A 79 3.113 -6.993 0.033 1.00 0.00 C ATOM 1126 C MET A 79 1.997 -6.711 -0.969 1.00 0.00 C ATOM 1127 O MET A 79 1.297 -7.624 -1.406 1.00 0.00 O ATOM 1128 CB MET A 79 2.553 -6.970 1.457 1.00 0.00 C ATOM 1129 CG MET A 79 3.297 -7.886 2.416 1.00 0.00 C ATOM 1130 SD MET A 79 3.124 -7.376 4.137 1.00 0.00 S ATOM 1131 CE MET A 79 1.351 -7.146 4.245 1.00 0.00 C ATOM 0 H MET A 79 4.453 -5.557 0.767 1.00 0.00 H new ATOM 0 HA MET A 79 3.521 -7.982 -0.173 1.00 0.00 H new ATOM 0 HB2 MET A 79 2.592 -5.949 1.838 1.00 0.00 H new ATOM 0 HB3 MET A 79 1.503 -7.260 1.431 1.00 0.00 H new ATOM 0 HG2 MET A 79 2.924 -8.904 2.303 1.00 0.00 H new ATOM 0 HG3 MET A 79 4.354 -7.903 2.150 1.00 0.00 H new ATOM 0 HE1 MET A 79 1.065 -7.003 5.287 1.00 0.00 H new ATOM 0 HE2 MET A 79 1.062 -6.269 3.666 1.00 0.00 H new ATOM 0 HE3 MET A 79 0.845 -8.026 3.847 1.00 0.00 H new ATOM 1141 N VAL A 80 1.837 -5.441 -1.327 1.00 0.00 N ATOM 1142 CA VAL A 80 0.807 -5.039 -2.278 1.00 0.00 C ATOM 1143 C VAL A 80 1.336 -5.071 -3.707 1.00 0.00 C ATOM 1144 O VAL A 80 0.771 -5.738 -4.575 1.00 0.00 O ATOM 1145 CB VAL A 80 0.280 -3.625 -1.969 1.00 0.00 C ATOM 1146 CG1 VAL A 80 -0.943 -3.314 -2.820 1.00 0.00 C ATOM 1147 CG2 VAL A 80 -0.042 -3.489 -0.489 1.00 0.00 C ATOM 0 H VAL A 80 2.407 -4.673 -0.973 1.00 0.00 H new ATOM 0 HA VAL A 80 -0.011 -5.753 -2.180 1.00 0.00 H new ATOM 0 HB VAL A 80 1.058 -2.903 -2.216 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -1.302 -2.311 -2.588 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -0.676 -3.369 -3.875 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -1.729 -4.039 -2.607 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -0.413 -2.484 -0.288 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -0.804 -4.219 -0.214 1.00 0.00 H new ATOM 0 HG23 VAL A 80 0.860 -3.667 0.097 1.00 0.00 H new ATOM 1157 N LEU A 81 2.424 -4.347 -3.946 1.00 0.00 N ATOM 1158 CA LEU A 81 3.031 -4.293 -5.271 1.00 0.00 C ATOM 1159 C LEU A 81 3.143 -5.688 -5.877 1.00 0.00 C ATOM 1160 O LEU A 81 2.912 -5.877 -7.070 1.00 0.00 O ATOM 1161 CB LEU A 81 4.415 -3.645 -5.194 1.00 0.00 C ATOM 1162 CG LEU A 81 4.438 -2.119 -5.114 1.00 0.00 C ATOM 1163 CD1 LEU A 81 5.827 -1.625 -4.737 1.00 0.00 C ATOM 1164 CD2 LEU A 81 3.993 -1.508 -6.435 1.00 0.00 C ATOM 0 H LEU A 81 2.904 -3.789 -3.239 1.00 0.00 H new ATOM 0 HA LEU A 81 2.389 -3.689 -5.913 1.00 0.00 H new ATOM 0 HB2 LEU A 81 4.932 -4.042 -4.321 1.00 0.00 H new ATOM 0 HB3 LEU A 81 4.987 -3.952 -6.070 1.00 0.00 H new ATOM 0 HG LEU A 81 3.740 -1.805 -4.338 1.00 0.00 H new ATOM 0 HD11 LEU A 81 5.824 -0.536 -4.685 1.00 0.00 H new ATOM 0 HD12 LEU A 81 6.108 -2.034 -3.766 1.00 0.00 H new ATOM 0 HD13 LEU A 81 6.545 -1.950 -5.489 1.00 0.00 H new ATOM 0 HD21 LEU A 81 4.016 -0.421 -6.359 1.00 0.00 H new ATOM 0 HD22 LEU A 81 4.666 -1.830 -7.230 1.00 0.00 H new ATOM 0 HD23 LEU A 81 2.978 -1.835 -6.663 1.00 0.00 H new ATOM 1176 N GLU A 82 3.498 -6.662 -5.045 1.00 0.00 N ATOM 1177 CA GLU A 82 3.639 -8.041 -5.499 1.00 0.00 C ATOM 1178 C GLU A 82 2.279 -8.644 -5.837 1.00 0.00 C ATOM 1179 O GLU A 82 2.176 -9.541 -6.675 1.00 0.00 O ATOM 1180 CB GLU A 82 4.332 -8.886 -4.427 1.00 0.00 C ATOM 1181 CG GLU A 82 4.932 -10.175 -4.963 1.00 0.00 C ATOM 1182 CD GLU A 82 6.143 -10.627 -4.171 1.00 0.00 C ATOM 1183 OE1 GLU A 82 5.956 -11.194 -3.074 1.00 0.00 O ATOM 1184 OE2 GLU A 82 7.278 -10.415 -4.648 1.00 0.00 O ATOM 0 H GLU A 82 3.693 -6.522 -4.054 1.00 0.00 H new ATOM 0 HA GLU A 82 4.251 -8.039 -6.401 1.00 0.00 H new ATOM 0 HB2 GLU A 82 5.120 -8.294 -3.963 1.00 0.00 H new ATOM 0 HB3 GLU A 82 3.612 -9.128 -3.645 1.00 0.00 H new ATOM 0 HG2 GLU A 82 4.176 -10.960 -4.943 1.00 0.00 H new ATOM 0 HG3 GLU A 82 5.216 -10.033 -6.006 1.00 0.00 H new ATOM 1191 N LEU A 83 1.238 -8.146 -5.180 1.00 0.00 N ATOM 1192 CA LEU A 83 -0.118 -8.635 -5.410 1.00 0.00 C ATOM 1193 C LEU A 83 -0.575 -8.325 -6.831 1.00 0.00 C ATOM 1194 O LEU A 83 -0.984 -9.220 -7.571 1.00 0.00 O ATOM 1195 CB LEU A 83 -1.084 -8.009 -4.403 1.00 0.00 C ATOM 1196 CG LEU A 83 -2.421 -8.728 -4.219 1.00 0.00 C ATOM 1197 CD1 LEU A 83 -3.314 -8.513 -5.431 1.00 0.00 C ATOM 1198 CD2 LEU A 83 -2.198 -10.214 -3.976 1.00 0.00 C ATOM 0 H LEU A 83 1.306 -7.404 -4.484 1.00 0.00 H new ATOM 0 HA LEU A 83 -0.115 -9.717 -5.277 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -0.585 -7.958 -3.435 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -1.285 -6.983 -4.712 1.00 0.00 H new ATOM 0 HG LEU A 83 -2.921 -8.308 -3.346 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -4.261 -9.032 -5.282 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -3.501 -7.447 -5.561 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -2.821 -8.906 -6.320 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -3.160 -10.710 -3.847 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -1.677 -10.648 -4.830 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -1.597 -10.349 -3.077 1.00 0.00 H new ATOM 1210 N ILE A 84 -0.500 -7.053 -7.207 1.00 0.00 N ATOM 1211 CA ILE A 84 -0.902 -6.626 -8.542 1.00 0.00 C ATOM 1212 C ILE A 84 0.110 -7.073 -9.591 1.00 0.00 C ATOM 1213 O ILE A 84 -0.242 -7.308 -10.747 1.00 0.00 O ATOM 1214 CB ILE A 84 -1.063 -5.096 -8.619 1.00 0.00 C ATOM 1215 CG1 ILE A 84 0.299 -4.411 -8.487 1.00 0.00 C ATOM 1216 CG2 ILE A 84 -2.014 -4.608 -7.536 1.00 0.00 C ATOM 1217 CD1 ILE A 84 1.032 -4.268 -9.802 1.00 0.00 C ATOM 0 H ILE A 84 -0.165 -6.300 -6.606 1.00 0.00 H new ATOM 0 HA ILE A 84 -1.864 -7.095 -8.747 1.00 0.00 H new ATOM 0 HB ILE A 84 -1.486 -4.838 -9.590 1.00 0.00 H new ATOM 0 HG12 ILE A 84 0.159 -3.423 -8.049 1.00 0.00 H new ATOM 0 HG13 ILE A 84 0.918 -4.982 -7.795 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -2.117 -3.525 -7.604 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -2.990 -5.075 -7.671 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -1.617 -4.874 -6.556 1.00 0.00 H new ATOM 0 HD11 ILE A 84 1.989 -3.774 -9.633 1.00 0.00 H new ATOM 0 HD12 ILE A 84 1.204 -5.255 -10.232 1.00 0.00 H new ATOM 0 HD13 ILE A 84 0.432 -3.672 -10.490 1.00 0.00 H new ATOM 1229 N ARG A 85 1.368 -7.190 -9.179 1.00 0.00 N ATOM 1230 CA ARG A 85 2.432 -7.610 -10.083 1.00 0.00 C ATOM 1231 C ARG A 85 2.206 -9.042 -10.561 1.00 0.00 C ATOM 1232 O ARG A 85 1.366 -9.762 -10.020 1.00 0.00 O ATOM 1233 CB ARG A 85 3.791 -7.501 -9.391 1.00 0.00 C ATOM 1234 CG ARG A 85 4.455 -6.144 -9.562 1.00 0.00 C ATOM 1235 CD ARG A 85 5.890 -6.158 -9.062 1.00 0.00 C ATOM 1236 NE ARG A 85 6.814 -6.687 -10.062 1.00 0.00 N ATOM 1237 CZ ARG A 85 8.101 -6.914 -9.827 1.00 0.00 C ATOM 1238 NH1 ARG A 85 8.615 -6.662 -8.631 1.00 0.00 N ATOM 1239 NH2 ARG A 85 8.877 -7.396 -10.789 1.00 0.00 N ATOM 0 H ARG A 85 1.675 -7.000 -8.225 1.00 0.00 H new ATOM 0 HA ARG A 85 2.419 -6.949 -10.950 1.00 0.00 H new ATOM 0 HB2 ARG A 85 3.665 -7.703 -8.327 1.00 0.00 H new ATOM 0 HB3 ARG A 85 4.453 -8.272 -9.785 1.00 0.00 H new ATOM 0 HG2 ARG A 85 4.438 -5.860 -10.614 1.00 0.00 H new ATOM 0 HG3 ARG A 85 3.887 -5.389 -9.019 1.00 0.00 H new ATOM 0 HD2 ARG A 85 6.189 -5.145 -8.792 1.00 0.00 H new ATOM 0 HD3 ARG A 85 5.952 -6.761 -8.156 1.00 0.00 H new ATOM 0 HE ARG A 85 6.450 -6.893 -10.992 1.00 0.00 H new ATOM 0 HH11 ARG A 85 8.021 -6.293 -7.888 1.00 0.00 H new ATOM 0 HH12 ARG A 85 9.604 -6.837 -8.454 1.00 0.00 H new ATOM 0 HH21 ARG A 85 8.485 -7.592 -11.710 1.00 0.00 H new ATOM 0 HH22 ARG A 85 9.866 -7.570 -10.608 1.00 0.00 H new ATOM 1253 N ASP A 86 2.961 -9.447 -11.576 1.00 0.00 N ATOM 1254 CA ASP A 86 2.844 -10.793 -12.126 1.00 0.00 C ATOM 1255 C ASP A 86 4.122 -11.195 -12.855 1.00 0.00 C ATOM 1256 O ASP A 86 4.569 -10.502 -13.769 1.00 0.00 O ATOM 1257 CB ASP A 86 1.650 -10.875 -13.079 1.00 0.00 C ATOM 1258 CG ASP A 86 0.527 -9.937 -12.683 1.00 0.00 C ATOM 1259 OD1 ASP A 86 0.655 -8.721 -12.935 1.00 0.00 O ATOM 1260 OD2 ASP A 86 -0.478 -10.419 -12.120 1.00 0.00 O ATOM 0 H ASP A 86 3.660 -8.863 -12.035 1.00 0.00 H new ATOM 0 HA ASP A 86 2.687 -11.485 -11.299 1.00 0.00 H new ATOM 0 HB2 ASP A 86 1.979 -10.636 -14.090 1.00 0.00 H new ATOM 0 HB3 ASP A 86 1.275 -11.898 -13.099 1.00 0.00 H new ATOM 1265 N GLN A 87 4.704 -12.317 -12.444 1.00 0.00 N ATOM 1266 CA GLN A 87 5.932 -12.809 -13.058 1.00 0.00 C ATOM 1267 C GLN A 87 5.880 -14.322 -13.242 1.00 0.00 C ATOM 1268 O GLN A 87 5.953 -15.078 -12.273 1.00 0.00 O ATOM 1269 CB GLN A 87 7.142 -12.428 -12.204 1.00 0.00 C ATOM 1270 CG GLN A 87 7.393 -10.930 -12.138 1.00 0.00 C ATOM 1271 CD GLN A 87 8.288 -10.438 -13.258 1.00 0.00 C ATOM 1272 OE1 GLN A 87 7.892 -9.589 -14.057 1.00 0.00 O ATOM 1273 NE2 GLN A 87 9.503 -10.971 -13.323 1.00 0.00 N ATOM 0 H GLN A 87 4.346 -12.902 -11.689 1.00 0.00 H new ATOM 0 HA GLN A 87 6.029 -12.345 -14.040 1.00 0.00 H new ATOM 0 HB2 GLN A 87 6.997 -12.808 -11.193 1.00 0.00 H new ATOM 0 HB3 GLN A 87 8.029 -12.919 -12.605 1.00 0.00 H new ATOM 0 HG2 GLN A 87 6.440 -10.404 -12.182 1.00 0.00 H new ATOM 0 HG3 GLN A 87 7.849 -10.684 -11.179 1.00 0.00 H new ATOM 0 HE21 GLN A 87 9.790 -11.672 -12.640 1.00 0.00 H new ATOM 0 HE22 GLN A 87 10.149 -10.679 -14.056 1.00 0.00 H new ATOM 1282 N GLY A 88 5.753 -14.758 -14.491 1.00 0.00 N ATOM 1283 CA GLY A 88 5.693 -16.179 -14.779 1.00 0.00 C ATOM 1284 C GLY A 88 4.307 -16.755 -14.568 1.00 0.00 C ATOM 1285 O GLY A 88 4.130 -17.702 -13.802 1.00 0.00 O ATOM 0 H GLY A 88 5.691 -14.152 -15.309 1.00 0.00 H new ATOM 0 HA2 GLY A 88 6.001 -16.351 -15.810 1.00 0.00 H new ATOM 0 HA3 GLY A 88 6.403 -16.706 -14.142 1.00 0.00 H new ATOM 1289 N SER A 89 3.319 -16.181 -15.249 1.00 0.00 N ATOM 1290 CA SER A 89 1.940 -16.640 -15.128 1.00 0.00 C ATOM 1291 C SER A 89 1.856 -18.155 -15.292 1.00 0.00 C ATOM 1292 O SER A 89 2.054 -18.684 -16.385 1.00 0.00 O ATOM 1293 CB SER A 89 1.059 -15.953 -16.173 1.00 0.00 C ATOM 1294 OG SER A 89 1.550 -16.178 -17.483 1.00 0.00 O ATOM 0 H SER A 89 3.448 -15.398 -15.890 1.00 0.00 H new ATOM 0 HA SER A 89 1.581 -16.379 -14.132 1.00 0.00 H new ATOM 0 HB2 SER A 89 0.038 -16.327 -16.095 1.00 0.00 H new ATOM 0 HB3 SER A 89 1.022 -14.882 -15.974 1.00 0.00 H new ATOM 0 HG SER A 89 1.871 -17.101 -17.558 1.00 0.00 H new ATOM 1300 N GLY A 90 1.559 -18.847 -14.196 1.00 0.00 N ATOM 1301 CA GLY A 90 1.453 -20.293 -14.238 1.00 0.00 C ATOM 1302 C GLY A 90 0.910 -20.873 -12.947 1.00 0.00 C ATOM 1303 O GLY A 90 0.256 -20.187 -12.161 1.00 0.00 O ATOM 0 H GLY A 90 1.390 -18.431 -13.280 1.00 0.00 H new ATOM 0 HA2 GLY A 90 0.804 -20.583 -15.064 1.00 0.00 H new ATOM 0 HA3 GLY A 90 2.435 -20.720 -14.440 1.00 0.00 H new ATOM 1307 N PRO A 91 1.180 -22.165 -12.714 1.00 0.00 N ATOM 1308 CA PRO A 91 0.722 -22.866 -11.510 1.00 0.00 C ATOM 1309 C PRO A 91 1.440 -22.388 -10.253 1.00 0.00 C ATOM 1310 O PRO A 91 1.159 -22.857 -9.150 1.00 0.00 O ATOM 1311 CB PRO A 91 1.065 -24.329 -11.799 1.00 0.00 C ATOM 1312 CG PRO A 91 2.193 -24.269 -12.770 1.00 0.00 C ATOM 1313 CD PRO A 91 1.954 -23.043 -13.607 1.00 0.00 C ATOM 0 HA PRO A 91 -0.336 -22.693 -11.315 1.00 0.00 H new ATOM 0 HB2 PRO A 91 1.354 -24.855 -10.889 1.00 0.00 H new ATOM 0 HB3 PRO A 91 0.210 -24.861 -12.217 1.00 0.00 H new ATOM 0 HG2 PRO A 91 3.150 -24.208 -12.253 1.00 0.00 H new ATOM 0 HG3 PRO A 91 2.222 -25.165 -13.390 1.00 0.00 H new ATOM 0 HD2 PRO A 91 2.891 -22.578 -13.915 1.00 0.00 H new ATOM 0 HD3 PRO A 91 1.401 -23.279 -14.516 1.00 0.00 H new ATOM 1321 N SER A 92 2.368 -21.452 -10.426 1.00 0.00 N ATOM 1322 CA SER A 92 3.129 -20.913 -9.305 1.00 0.00 C ATOM 1323 C SER A 92 2.225 -20.119 -8.367 1.00 0.00 C ATOM 1324 O SER A 92 2.390 -20.158 -7.148 1.00 0.00 O ATOM 1325 CB SER A 92 4.264 -20.022 -9.813 1.00 0.00 C ATOM 1326 OG SER A 92 4.958 -20.641 -10.883 1.00 0.00 O ATOM 0 H SER A 92 2.611 -21.051 -11.332 1.00 0.00 H new ATOM 0 HA SER A 92 3.554 -21.750 -8.750 1.00 0.00 H new ATOM 0 HB2 SER A 92 3.860 -19.065 -10.143 1.00 0.00 H new ATOM 0 HB3 SER A 92 4.958 -19.811 -8.999 1.00 0.00 H new ATOM 0 HG SER A 92 5.677 -20.051 -11.191 1.00 0.00 H new ATOM 1332 N SER A 93 1.270 -19.398 -8.946 1.00 0.00 N ATOM 1333 CA SER A 93 0.341 -18.590 -8.163 1.00 0.00 C ATOM 1334 C SER A 93 -1.061 -18.640 -8.763 1.00 0.00 C ATOM 1335 O SER A 93 -1.234 -18.960 -9.938 1.00 0.00 O ATOM 1336 CB SER A 93 0.827 -17.142 -8.091 1.00 0.00 C ATOM 1337 OG SER A 93 0.851 -16.548 -9.378 1.00 0.00 O ATOM 0 H SER A 93 1.119 -19.357 -9.954 1.00 0.00 H new ATOM 0 HA SER A 93 0.300 -19.002 -7.155 1.00 0.00 H new ATOM 0 HB2 SER A 93 0.174 -16.568 -7.434 1.00 0.00 H new ATOM 0 HB3 SER A 93 1.825 -17.111 -7.654 1.00 0.00 H new ATOM 0 HG SER A 93 1.164 -15.622 -9.305 1.00 0.00 H new ATOM 1343 N GLY A 94 -2.059 -18.320 -7.945 1.00 0.00 N ATOM 1344 CA GLY A 94 -3.433 -18.333 -8.411 1.00 0.00 C ATOM 1345 C GLY A 94 -4.427 -18.081 -7.295 1.00 0.00 C ATOM 1346 O GLY A 94 -4.974 -19.021 -6.718 1.00 0.00 O ATOM 0 H GLY A 94 -1.940 -18.052 -6.968 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -3.559 -17.574 -9.183 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -3.647 -19.297 -8.873 1.00 0.00 H new TER 1350 GLY A 94