USER MOD reduce.3.24.130724 H: found=0, std=0, add=710, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 710 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 27 SER OG : rot -118:sc= 0.386 USER MOD Set 1.2: B 6 CYS SG : rot 172:sc= 0.639 USER MOD Set 1.3: B 9 THR OG1 : rot -44:sc= 0.83 USER MOD Set 2.1: A 41 GLN : amide:sc= 0.688 K(o=1.5,f=-1.9) USER MOD Set 2.2: A 46 LYS NZ :NH3+ 179:sc= 0.772 (180deg=0) USER MOD Set 3.1: A 43 GLN : amide:sc= 0.998 K(o=1.8,f=-2) USER MOD Set 3.2: B 28 LYS NZ :NH3+ -170:sc= 0.846 (180deg=0) USER MOD Set 4.1: A 28 LYS NZ :NH3+ -164:sc= 1.13 (180deg=0) USER MOD Set 4.2: B 43 GLN : amide:sc= 0.957 K(o=2.1,f=-6.8!) USER MOD Set 5.1: A 13 SER OG : rot -140:sc= 0.146 USER MOD Set 5.2: B 27 SER OG : rot 80:sc= 0.258 USER MOD Set 6.1: A 6 CYS SG : rot -156:sc= -0.963 USER MOD Set 6.2: A 9 THR OG1 : rot 180:sc= 0.207 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -110:sc= 0.0372 (180deg=0) USER MOD Single : A 2 ASN : amide:sc= 0.0453 K(o=0.045,f=-1.4!) USER MOD Single : A 3 CYS SG : rot 180:sc= 0.00823 USER MOD Single : A 4 MET CE :methyl 173:sc= 0 (180deg=-0.0486) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 GLN : amide:sc= -0.178 X(o=-0.18,f=-0.18) USER MOD Single : A 16 ASN : amide:sc= 0.779 K(o=0.78,f=-0.14) USER MOD Single : A 18 LYS NZ :NH3+ -150:sc= 0.81 (180deg=0.296) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= 0.874 K(o=0.87,f=-0.17) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= 0.701 K(o=0.7,f=-0.27) USER MOD Single : A 40 ASN : amide:sc= -0.237 K(o=-0.24,f=-0.86) USER MOD Single : A 44 ASN : amide:sc= 1.06 K(o=1.1,f=0) USER MOD Single : B 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 1 MET N :NH3+ 143:sc= 0.0176 (180deg=0) USER MOD Single : B 2 ASN : amide:sc=-0.00771 X(o=-0.0077,f=-0.0077) USER MOD Single : B 3 CYS SG : rot 180:sc= 0 USER MOD Single : B 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 5 THR OG1 : rot 180:sc= 0 USER MOD Single : B 7 GLN : amide:sc= 0.591 K(o=0.59,f=-0.015) USER MOD Single : B 13 SER OG : rot -150:sc= 0 USER MOD Single : B 16 ASN : amide:sc= 0.881 K(o=0.88,f=-0.059) USER MOD Single : B 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 33 GLN : amide:sc= -0.194 X(o=-0.19,f=-0.51) USER MOD Single : B 36 SER OG : rot 180:sc= 0 USER MOD Single : B 39 GLN : amide:sc= 0.75 K(o=0.75,f=-0.28) USER MOD Single : B 40 ASN : amide:sc= 0.84 K(o=0.84,f=0) USER MOD Single : B 41 GLN : amide:sc= 0.856 K(o=0.86,f=0) USER MOD Single : B 44 ASN : amide:sc= 1.1 K(o=1.1,f=-0.029) USER MOD Single : B 46 LYS NZ :NH3+ 169:sc= 0.942 (180deg=0.796) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -3.067 25.078 -6.232 1.00 0.00 N ATOM 2 CA MET A 1 -2.476 24.630 -7.524 1.00 0.00 C ATOM 3 C MET A 1 -3.000 23.244 -7.910 1.00 0.00 C ATOM 4 O MET A 1 -3.385 22.459 -7.044 1.00 0.00 O ATOM 5 CB MET A 1 -0.931 24.630 -7.500 1.00 0.00 C ATOM 6 CG MET A 1 -0.318 26.031 -7.367 1.00 0.00 C ATOM 7 SD MET A 1 -0.817 27.205 -8.661 1.00 0.00 S ATOM 8 CE MET A 1 0.157 28.649 -8.154 1.00 0.00 C ATOM 0 H1 MET A 1 -3.730 25.860 -6.406 1.00 0.00 H new ATOM 0 H2 MET A 1 -3.574 24.286 -5.789 1.00 0.00 H new ATOM 0 H3 MET A 1 -2.309 25.402 -5.597 1.00 0.00 H new ATOM 0 HA MET A 1 -2.788 25.353 -8.278 1.00 0.00 H new ATOM 0 HB2 MET A 1 -0.589 24.013 -6.669 1.00 0.00 H new ATOM 0 HB3 MET A 1 -0.562 24.166 -8.415 1.00 0.00 H new ATOM 0 HG2 MET A 1 -0.594 26.443 -6.396 1.00 0.00 H new ATOM 0 HG3 MET A 1 0.768 25.940 -7.378 1.00 0.00 H new ATOM 0 HE1 MET A 1 -0.028 29.473 -8.843 1.00 0.00 H new ATOM 0 HE2 MET A 1 -0.132 28.947 -7.146 1.00 0.00 H new ATOM 0 HE3 MET A 1 1.217 28.396 -8.167 1.00 0.00 H new ATOM 20 N ASN A 2 -3.000 22.924 -9.209 1.00 0.00 N ATOM 21 CA ASN A 2 -3.511 21.658 -9.766 1.00 0.00 C ATOM 22 C ASN A 2 -2.468 20.515 -9.845 1.00 0.00 C ATOM 23 O ASN A 2 -2.786 19.424 -10.323 1.00 0.00 O ATOM 24 CB ASN A 2 -4.158 21.948 -11.134 1.00 0.00 C ATOM 25 CG ASN A 2 -3.141 22.340 -12.198 1.00 0.00 C ATOM 26 OD1 ASN A 2 -2.553 23.411 -12.161 1.00 0.00 O ATOM 27 ND2 ASN A 2 -2.884 21.487 -13.165 1.00 0.00 N ATOM 0 H ASN A 2 -2.635 23.553 -9.925 1.00 0.00 H new ATOM 0 HA ASN A 2 -4.256 21.274 -9.069 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -4.703 21.065 -11.467 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -4.888 22.750 -11.023 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -2.196 21.720 -13.881 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -3.373 20.592 -13.199 1.00 0.00 H new ATOM 34 N CYS A 3 -1.226 20.757 -9.413 1.00 0.00 N ATOM 35 CA CYS A 3 -0.116 19.799 -9.482 1.00 0.00 C ATOM 36 C CYS A 3 -0.324 18.567 -8.580 1.00 0.00 C ATOM 37 O CYS A 3 -0.931 18.656 -7.508 1.00 0.00 O ATOM 38 CB CYS A 3 1.190 20.521 -9.108 1.00 0.00 C ATOM 39 SG CYS A 3 1.482 21.937 -10.213 1.00 0.00 S ATOM 0 H CYS A 3 -0.957 21.648 -8.995 1.00 0.00 H new ATOM 0 HA CYS A 3 -0.067 19.423 -10.504 1.00 0.00 H new ATOM 0 HB2 CYS A 3 1.138 20.864 -8.075 1.00 0.00 H new ATOM 0 HB3 CYS A 3 2.027 19.825 -9.171 1.00 0.00 H new ATOM 0 HG CYS A 3 2.588 22.530 -9.875 1.00 0.00 H new ATOM 45 N MET A 4 0.235 17.419 -8.981 1.00 0.00 N ATOM 46 CA MET A 4 0.200 16.180 -8.195 1.00 0.00 C ATOM 47 C MET A 4 1.116 16.268 -6.968 1.00 0.00 C ATOM 48 O MET A 4 2.331 16.404 -7.094 1.00 0.00 O ATOM 49 CB MET A 4 0.579 14.968 -9.066 1.00 0.00 C ATOM 50 CG MET A 4 -0.639 14.391 -9.799 1.00 0.00 C ATOM 51 SD MET A 4 -1.336 15.399 -11.141 1.00 0.00 S ATOM 52 CE MET A 4 -0.027 15.243 -12.388 1.00 0.00 C ATOM 0 H MET A 4 0.729 17.323 -9.868 1.00 0.00 H new ATOM 0 HA MET A 4 -0.822 16.045 -7.840 1.00 0.00 H new ATOM 0 HB2 MET A 4 1.334 15.265 -9.794 1.00 0.00 H new ATOM 0 HB3 MET A 4 1.026 14.196 -8.440 1.00 0.00 H new ATOM 0 HG2 MET A 4 -0.360 13.421 -10.211 1.00 0.00 H new ATOM 0 HG3 MET A 4 -1.424 14.211 -9.065 1.00 0.00 H new ATOM 0 HE1 MET A 4 -0.356 15.702 -13.320 1.00 0.00 H new ATOM 0 HE2 MET A 4 0.874 15.745 -12.035 1.00 0.00 H new ATOM 0 HE3 MET A 4 0.189 14.188 -12.559 1.00 0.00 H new ATOM 62 N THR A 5 0.529 16.154 -5.777 1.00 0.00 N ATOM 63 CA THR A 5 1.213 16.125 -4.481 1.00 0.00 C ATOM 64 C THR A 5 0.501 15.194 -3.497 1.00 0.00 C ATOM 65 O THR A 5 -0.698 14.935 -3.631 1.00 0.00 O ATOM 66 CB THR A 5 1.315 17.548 -3.920 1.00 0.00 C ATOM 67 OG1 THR A 5 2.223 17.565 -2.846 1.00 0.00 O ATOM 68 CG2 THR A 5 -0.014 18.141 -3.435 1.00 0.00 C ATOM 0 H THR A 5 -0.484 16.076 -5.683 1.00 0.00 H new ATOM 0 HA THR A 5 2.219 15.730 -4.626 1.00 0.00 H new ATOM 0 HB THR A 5 1.650 18.166 -4.753 1.00 0.00 H new ATOM 0 HG1 THR A 5 2.289 18.475 -2.488 1.00 0.00 H new ATOM 0 HG21 THR A 5 0.154 19.149 -3.055 1.00 0.00 H new ATOM 0 HG22 THR A 5 -0.720 18.179 -4.265 1.00 0.00 H new ATOM 0 HG23 THR A 5 -0.422 17.517 -2.640 1.00 0.00 H new ATOM 76 N CYS A 6 1.229 14.686 -2.505 1.00 0.00 N ATOM 77 CA CYS A 6 0.702 13.841 -1.447 1.00 0.00 C ATOM 78 C CYS A 6 -0.346 14.569 -0.594 1.00 0.00 C ATOM 79 O CYS A 6 -0.033 15.589 0.014 1.00 0.00 O ATOM 80 CB CYS A 6 1.880 13.335 -0.606 1.00 0.00 C ATOM 81 SG CYS A 6 1.265 12.104 0.568 1.00 0.00 S ATOM 0 H CYS A 6 2.230 14.859 -2.417 1.00 0.00 H new ATOM 0 HA CYS A 6 0.178 12.992 -1.887 1.00 0.00 H new ATOM 0 HB2 CYS A 6 2.643 12.896 -1.249 1.00 0.00 H new ATOM 0 HB3 CYS A 6 2.349 14.163 -0.075 1.00 0.00 H new ATOM 0 HG CYS A 6 2.068 12.038 1.588 1.00 0.00 H new ATOM 87 N GLN A 7 -1.565 14.033 -0.466 1.00 0.00 N ATOM 88 CA GLN A 7 -2.566 14.630 0.441 1.00 0.00 C ATOM 89 C GLN A 7 -2.362 14.221 1.922 1.00 0.00 C ATOM 90 O GLN A 7 -2.880 14.879 2.826 1.00 0.00 O ATOM 91 CB GLN A 7 -3.981 14.360 -0.098 1.00 0.00 C ATOM 92 CG GLN A 7 -5.033 15.281 0.551 1.00 0.00 C ATOM 93 CD GLN A 7 -6.405 15.181 -0.113 1.00 0.00 C ATOM 94 OE1 GLN A 7 -6.657 15.738 -1.174 1.00 0.00 O ATOM 95 NE2 GLN A 7 -7.345 14.467 0.474 1.00 0.00 N ATOM 0 H GLN A 7 -1.883 13.203 -0.966 1.00 0.00 H new ATOM 0 HA GLN A 7 -2.424 15.711 0.453 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -3.991 14.504 -1.178 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -4.247 13.319 0.087 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -5.127 15.028 1.607 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -4.685 16.313 0.500 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -7.151 13.997 1.358 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -8.266 14.385 0.044 1.00 0.00 H new ATOM 104 N VAL A 8 -1.568 13.174 2.187 1.00 0.00 N ATOM 105 CA VAL A 8 -1.276 12.645 3.540 1.00 0.00 C ATOM 106 C VAL A 8 -0.002 13.256 4.163 1.00 0.00 C ATOM 107 O VAL A 8 0.126 13.295 5.387 1.00 0.00 O ATOM 108 CB VAL A 8 -1.215 11.101 3.488 1.00 0.00 C ATOM 109 CG1 VAL A 8 -0.913 10.441 4.838 1.00 0.00 C ATOM 110 CG2 VAL A 8 -2.554 10.525 2.999 1.00 0.00 C ATOM 0 H VAL A 8 -1.094 12.652 1.449 1.00 0.00 H new ATOM 0 HA VAL A 8 -2.089 12.945 4.202 1.00 0.00 H new ATOM 0 HB VAL A 8 -0.396 10.879 2.804 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -0.887 9.358 4.716 1.00 0.00 H new ATOM 0 HG12 VAL A 8 0.053 10.788 5.204 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -1.690 10.707 5.555 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -2.493 9.437 2.969 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -3.350 10.825 3.681 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -2.770 10.904 2.000 1.00 0.00 H new ATOM 120 N THR A 9 0.921 13.769 3.338 1.00 0.00 N ATOM 121 CA THR A 9 2.218 14.342 3.781 1.00 0.00 C ATOM 122 C THR A 9 2.519 15.714 3.180 1.00 0.00 C ATOM 123 O THR A 9 3.121 16.561 3.843 1.00 0.00 O ATOM 124 CB THR A 9 3.402 13.409 3.479 1.00 0.00 C ATOM 125 OG1 THR A 9 3.662 13.355 2.092 1.00 0.00 O ATOM 126 CG2 THR A 9 3.166 11.975 3.947 1.00 0.00 C ATOM 0 H THR A 9 0.794 13.802 2.326 1.00 0.00 H new ATOM 0 HA THR A 9 2.104 14.457 4.859 1.00 0.00 H new ATOM 0 HB THR A 9 4.246 13.831 4.025 1.00 0.00 H new ATOM 0 HG1 THR A 9 4.420 12.757 1.924 1.00 0.00 H new ATOM 0 HG21 THR A 9 4.037 11.365 3.706 1.00 0.00 H new ATOM 0 HG22 THR A 9 3.004 11.966 5.025 1.00 0.00 H new ATOM 0 HG23 THR A 9 2.288 11.568 3.445 1.00 0.00 H new ATOM 134 N GLY A 10 2.085 15.945 1.937 1.00 0.00 N ATOM 135 CA GLY A 10 2.332 17.194 1.196 1.00 0.00 C ATOM 136 C GLY A 10 3.551 17.148 0.267 1.00 0.00 C ATOM 137 O GLY A 10 3.927 18.174 -0.302 1.00 0.00 O ATOM 0 H GLY A 10 1.544 15.262 1.406 1.00 0.00 H new ATOM 0 HA2 GLY A 10 1.448 17.432 0.604 1.00 0.00 H new ATOM 0 HA3 GLY A 10 2.465 18.006 1.911 1.00 0.00 H new ATOM 141 N GLU A 11 4.191 15.982 0.120 1.00 0.00 N ATOM 142 CA GLU A 11 5.338 15.779 -0.773 1.00 0.00 C ATOM 143 C GLU A 11 4.947 15.483 -2.223 1.00 0.00 C ATOM 144 O GLU A 11 3.986 14.774 -2.506 1.00 0.00 O ATOM 145 CB GLU A 11 6.243 14.666 -0.234 1.00 0.00 C ATOM 146 CG GLU A 11 7.051 15.136 0.976 1.00 0.00 C ATOM 147 CD GLU A 11 8.015 16.305 0.678 1.00 0.00 C ATOM 148 OE1 GLU A 11 8.611 16.357 -0.426 1.00 0.00 O ATOM 149 OE2 GLU A 11 8.185 17.189 1.553 1.00 0.00 O ATOM 0 H GLU A 11 3.922 15.139 0.627 1.00 0.00 H new ATOM 0 HA GLU A 11 5.879 16.725 -0.789 1.00 0.00 H new ATOM 0 HB2 GLU A 11 5.635 13.805 0.045 1.00 0.00 H new ATOM 0 HB3 GLU A 11 6.922 14.335 -1.020 1.00 0.00 H new ATOM 0 HG2 GLU A 11 6.361 15.440 1.763 1.00 0.00 H new ATOM 0 HG3 GLU A 11 7.626 14.295 1.363 1.00 0.00 H new ATOM 156 N VAL A 12 5.752 15.997 -3.147 1.00 0.00 N ATOM 157 CA VAL A 12 5.580 15.857 -4.606 1.00 0.00 C ATOM 158 C VAL A 12 6.758 15.110 -5.239 1.00 0.00 C ATOM 159 O VAL A 12 7.917 15.498 -5.071 1.00 0.00 O ATOM 160 CB VAL A 12 5.293 17.217 -5.289 1.00 0.00 C ATOM 161 CG1 VAL A 12 6.187 18.369 -4.803 1.00 0.00 C ATOM 162 CG2 VAL A 12 5.417 17.151 -6.818 1.00 0.00 C ATOM 0 H VAL A 12 6.576 16.545 -2.901 1.00 0.00 H new ATOM 0 HA VAL A 12 4.695 15.244 -4.776 1.00 0.00 H new ATOM 0 HB VAL A 12 4.263 17.426 -4.999 1.00 0.00 H new ATOM 0 HG11 VAL A 12 5.920 19.284 -5.331 1.00 0.00 H new ATOM 0 HG12 VAL A 12 6.044 18.514 -3.732 1.00 0.00 H new ATOM 0 HG13 VAL A 12 7.231 18.127 -5.000 1.00 0.00 H new ATOM 0 HG21 VAL A 12 5.205 18.132 -7.243 1.00 0.00 H new ATOM 0 HG22 VAL A 12 6.429 16.849 -7.088 1.00 0.00 H new ATOM 0 HG23 VAL A 12 4.705 16.425 -7.210 1.00 0.00 H new ATOM 172 N SER A 13 6.447 14.066 -6.014 1.00 0.00 N ATOM 173 CA SER A 13 7.398 13.332 -6.860 1.00 0.00 C ATOM 174 C SER A 13 6.799 13.090 -8.249 1.00 0.00 C ATOM 175 O SER A 13 5.607 12.808 -8.366 1.00 0.00 O ATOM 176 CB SER A 13 7.755 11.988 -6.212 1.00 0.00 C ATOM 177 OG SER A 13 8.187 12.160 -4.870 1.00 0.00 O ATOM 0 H SER A 13 5.498 13.696 -6.073 1.00 0.00 H new ATOM 0 HA SER A 13 8.302 13.932 -6.963 1.00 0.00 H new ATOM 0 HB2 SER A 13 6.887 11.329 -6.235 1.00 0.00 H new ATOM 0 HB3 SER A 13 8.541 11.501 -6.789 1.00 0.00 H new ATOM 0 HG SER A 13 8.939 11.558 -4.689 1.00 0.00 H new ATOM 183 N ASP A 14 7.610 13.160 -9.309 1.00 0.00 N ATOM 184 CA ASP A 14 7.156 12.894 -10.688 1.00 0.00 C ATOM 185 C ASP A 14 6.758 11.421 -10.910 1.00 0.00 C ATOM 186 O ASP A 14 5.852 11.113 -11.685 1.00 0.00 O ATOM 187 CB ASP A 14 8.226 13.324 -11.705 1.00 0.00 C ATOM 188 CG ASP A 14 8.760 14.745 -11.457 1.00 0.00 C ATOM 189 OD1 ASP A 14 8.154 15.716 -11.971 1.00 0.00 O ATOM 190 OD2 ASP A 14 9.791 14.894 -10.757 1.00 0.00 O ATOM 0 H ASP A 14 8.599 13.402 -9.241 1.00 0.00 H new ATOM 0 HA ASP A 14 6.258 13.491 -10.843 1.00 0.00 H new ATOM 0 HB2 ASP A 14 9.057 12.619 -11.669 1.00 0.00 H new ATOM 0 HB3 ASP A 14 7.806 13.271 -12.709 1.00 0.00 H new ATOM 195 N ASP A 15 7.382 10.512 -10.160 1.00 0.00 N ATOM 196 CA ASP A 15 7.076 9.086 -10.050 1.00 0.00 C ATOM 197 C ASP A 15 5.939 8.815 -9.035 1.00 0.00 C ATOM 198 O ASP A 15 6.032 7.921 -8.190 1.00 0.00 O ATOM 199 CB ASP A 15 8.370 8.316 -9.743 1.00 0.00 C ATOM 200 CG ASP A 15 9.540 8.616 -10.696 1.00 0.00 C ATOM 201 OD1 ASP A 15 10.255 9.629 -10.498 1.00 0.00 O ATOM 202 OD2 ASP A 15 9.763 7.815 -11.637 1.00 0.00 O ATOM 0 H ASP A 15 8.172 10.773 -9.570 1.00 0.00 H new ATOM 0 HA ASP A 15 6.690 8.721 -11.002 1.00 0.00 H new ATOM 0 HB2 ASP A 15 8.681 8.547 -8.724 1.00 0.00 H new ATOM 0 HB3 ASP A 15 8.157 7.248 -9.776 1.00 0.00 H new ATOM 207 N ASN A 16 4.897 9.656 -9.055 1.00 0.00 N ATOM 208 CA ASN A 16 3.833 9.732 -8.047 1.00 0.00 C ATOM 209 C ASN A 16 3.139 8.388 -7.725 1.00 0.00 C ATOM 210 O ASN A 16 2.618 7.706 -8.613 1.00 0.00 O ATOM 211 CB ASN A 16 2.806 10.820 -8.435 1.00 0.00 C ATOM 212 CG ASN A 16 2.349 10.852 -9.891 1.00 0.00 C ATOM 213 OD1 ASN A 16 2.290 11.898 -10.518 1.00 0.00 O ATOM 214 ND2 ASN A 16 1.997 9.732 -10.479 1.00 0.00 N ATOM 0 H ASN A 16 4.767 10.332 -9.808 1.00 0.00 H new ATOM 0 HA ASN A 16 4.328 10.009 -7.116 1.00 0.00 H new ATOM 0 HB2 ASN A 16 1.925 10.694 -7.806 1.00 0.00 H new ATOM 0 HB3 ASN A 16 3.235 11.793 -8.193 1.00 0.00 H new ATOM 0 HD21 ASN A 16 1.679 9.743 -11.448 1.00 0.00 H new ATOM 0 HD22 ASN A 16 2.042 8.851 -9.967 1.00 0.00 H new ATOM 221 N LEU A 17 3.082 8.048 -6.436 1.00 0.00 N ATOM 222 CA LEU A 17 2.402 6.876 -5.875 1.00 0.00 C ATOM 223 C LEU A 17 0.906 7.146 -5.689 1.00 0.00 C ATOM 224 O LEU A 17 0.474 8.301 -5.698 1.00 0.00 O ATOM 225 CB LEU A 17 3.107 6.462 -4.557 1.00 0.00 C ATOM 226 CG LEU A 17 4.628 6.299 -4.712 1.00 0.00 C ATOM 227 CD1 LEU A 17 5.280 5.949 -3.380 1.00 0.00 C ATOM 228 CD2 LEU A 17 4.972 5.267 -5.783 1.00 0.00 C ATOM 0 H LEU A 17 3.533 8.612 -5.716 1.00 0.00 H new ATOM 0 HA LEU A 17 2.471 6.039 -6.570 1.00 0.00 H new ATOM 0 HB2 LEU A 17 2.904 7.212 -3.792 1.00 0.00 H new ATOM 0 HB3 LEU A 17 2.681 5.523 -4.204 1.00 0.00 H new ATOM 0 HG LEU A 17 5.031 7.257 -5.040 1.00 0.00 H new ATOM 0 HD11 LEU A 17 6.356 5.840 -3.519 1.00 0.00 H new ATOM 0 HD12 LEU A 17 5.086 6.744 -2.660 1.00 0.00 H new ATOM 0 HD13 LEU A 17 4.865 5.013 -3.007 1.00 0.00 H new ATOM 0 HD21 LEU A 17 6.055 5.177 -5.867 1.00 0.00 H new ATOM 0 HD22 LEU A 17 4.547 4.302 -5.508 1.00 0.00 H new ATOM 0 HD23 LEU A 17 4.559 5.585 -6.740 1.00 0.00 H new ATOM 240 N LYS A 18 0.093 6.091 -5.539 1.00 0.00 N ATOM 241 CA LYS A 18 -1.370 6.222 -5.414 1.00 0.00 C ATOM 242 C LYS A 18 -2.022 5.279 -4.389 1.00 0.00 C ATOM 243 O LYS A 18 -1.508 4.198 -4.102 1.00 0.00 O ATOM 244 CB LYS A 18 -2.063 6.121 -6.785 1.00 0.00 C ATOM 245 CG LYS A 18 -1.585 7.134 -7.840 1.00 0.00 C ATOM 246 CD LYS A 18 -2.550 7.224 -9.035 1.00 0.00 C ATOM 247 CE LYS A 18 -3.722 8.168 -8.726 1.00 0.00 C ATOM 248 NZ LYS A 18 -4.797 8.070 -9.749 1.00 0.00 N ATOM 0 H LYS A 18 0.426 5.128 -5.501 1.00 0.00 H new ATOM 0 HA LYS A 18 -1.524 7.223 -5.011 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -1.912 5.115 -7.177 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -3.136 6.250 -6.642 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -1.486 8.117 -7.379 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -0.595 6.847 -8.195 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -2.013 7.580 -9.914 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -2.931 6.231 -9.275 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -4.132 7.929 -7.745 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -3.359 9.195 -8.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -5.283 8.986 -9.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -4.380 7.816 -10.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -5.481 7.339 -9.465 1.00 0.00 H new ATOM 262 N LEU A 19 -3.160 5.719 -3.840 1.00 0.00 N ATOM 263 CA LEU A 19 -3.909 5.086 -2.740 1.00 0.00 C ATOM 264 C LEU A 19 -4.604 3.768 -3.133 1.00 0.00 C ATOM 265 O LEU A 19 -4.906 3.526 -4.301 1.00 0.00 O ATOM 266 CB LEU A 19 -4.847 6.157 -2.136 1.00 0.00 C ATOM 267 CG LEU A 19 -5.405 5.886 -0.719 1.00 0.00 C ATOM 268 CD1 LEU A 19 -5.445 7.177 0.100 1.00 0.00 C ATOM 269 CD2 LEU A 19 -6.842 5.367 -0.779 1.00 0.00 C ATOM 0 H LEU A 19 -3.611 6.573 -4.167 1.00 0.00 H new ATOM 0 HA LEU A 19 -3.216 4.749 -1.969 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -4.308 7.104 -2.112 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -5.691 6.288 -2.813 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.747 5.147 -0.263 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -5.840 6.966 1.093 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -4.437 7.583 0.189 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -6.086 7.904 -0.398 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -7.206 5.186 0.232 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -7.476 6.108 -1.266 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -6.869 4.437 -1.346 1.00 0.00 H new ATOM 281 N ALA A 20 -4.859 2.911 -2.145 1.00 0.00 N ATOM 282 CA ALA A 20 -5.291 1.518 -2.341 1.00 0.00 C ATOM 283 C ALA A 20 -6.805 1.355 -2.598 1.00 0.00 C ATOM 284 O ALA A 20 -7.600 2.209 -2.206 1.00 0.00 O ATOM 285 CB ALA A 20 -4.815 0.668 -1.153 1.00 0.00 C ATOM 0 H ALA A 20 -4.770 3.167 -1.162 1.00 0.00 H new ATOM 0 HA ALA A 20 -4.823 1.161 -3.259 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -5.133 -0.365 -1.294 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -3.728 0.708 -1.090 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -5.246 1.058 -0.231 1.00 0.00 H new ATOM 291 N GLY A 21 -7.218 0.258 -3.252 1.00 0.00 N ATOM 292 CA GLY A 21 -8.629 0.023 -3.624 1.00 0.00 C ATOM 293 C GLY A 21 -9.071 -1.449 -3.588 1.00 0.00 C ATOM 294 O GLY A 21 -10.228 -1.733 -3.273 1.00 0.00 O ATOM 0 H GLY A 21 -6.588 -0.491 -3.539 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -9.267 0.595 -2.951 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -8.795 0.413 -4.628 1.00 0.00 H new ATOM 298 N GLY A 22 -8.146 -2.386 -3.827 1.00 0.00 N ATOM 299 CA GLY A 22 -8.293 -3.809 -3.524 1.00 0.00 C ATOM 300 C GLY A 22 -8.458 -4.719 -4.743 1.00 0.00 C ATOM 301 O GLY A 22 -9.539 -5.269 -4.963 1.00 0.00 O ATOM 0 H GLY A 22 -7.245 -2.164 -4.251 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -7.419 -4.137 -2.961 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -9.158 -3.939 -2.874 1.00 0.00 H new ATOM 305 N LYS A 23 -7.379 -4.909 -5.520 1.00 0.00 N ATOM 306 CA LYS A 23 -7.378 -5.791 -6.709 1.00 0.00 C ATOM 307 C LYS A 23 -7.279 -7.291 -6.383 1.00 0.00 C ATOM 308 O LYS A 23 -7.873 -8.110 -7.085 1.00 0.00 O ATOM 309 CB LYS A 23 -6.264 -5.391 -7.694 1.00 0.00 C ATOM 310 CG LYS A 23 -6.394 -3.962 -8.243 1.00 0.00 C ATOM 311 CD LYS A 23 -5.320 -3.707 -9.312 1.00 0.00 C ATOM 312 CE LYS A 23 -5.427 -2.283 -9.866 1.00 0.00 C ATOM 313 NZ LYS A 23 -4.402 -2.021 -10.910 1.00 0.00 N ATOM 0 H LYS A 23 -6.481 -4.458 -5.346 1.00 0.00 H new ATOM 0 HA LYS A 23 -8.353 -5.643 -7.174 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -5.300 -5.491 -7.195 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -6.264 -6.091 -8.530 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -7.386 -3.818 -8.671 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -6.289 -3.242 -7.432 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -4.330 -3.861 -8.883 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -5.431 -4.426 -10.123 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -6.421 -2.129 -10.286 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -5.310 -1.566 -9.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -4.505 -1.048 -11.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -3.453 -2.143 -10.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -4.530 -2.689 -11.697 1.00 0.00 H new ATOM 327 N LEU A 24 -6.529 -7.648 -5.336 1.00 0.00 N ATOM 328 CA LEU A 24 -6.288 -9.026 -4.871 1.00 0.00 C ATOM 329 C LEU A 24 -5.938 -9.043 -3.372 1.00 0.00 C ATOM 330 O LEU A 24 -5.502 -8.021 -2.841 1.00 0.00 O ATOM 331 CB LEU A 24 -5.154 -9.656 -5.713 1.00 0.00 C ATOM 332 CG LEU A 24 -5.010 -11.188 -5.604 1.00 0.00 C ATOM 333 CD1 LEU A 24 -6.281 -11.942 -6.007 1.00 0.00 C ATOM 334 CD2 LEU A 24 -3.886 -11.651 -6.529 1.00 0.00 C ATOM 0 H LEU A 24 -6.049 -6.956 -4.760 1.00 0.00 H new ATOM 0 HA LEU A 24 -7.196 -9.614 -5.001 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -5.318 -9.399 -6.759 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -4.210 -9.199 -5.417 1.00 0.00 H new ATOM 0 HG LEU A 24 -4.801 -11.408 -4.557 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -6.114 -13.015 -5.908 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -7.104 -11.641 -5.358 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -6.531 -11.707 -7.042 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -3.778 -12.733 -6.457 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -4.125 -11.377 -7.557 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -2.952 -11.173 -6.234 1.00 0.00 H new ATOM 346 N VAL A 25 -6.115 -10.181 -2.694 1.00 0.00 N ATOM 347 CA VAL A 25 -5.918 -10.322 -1.240 1.00 0.00 C ATOM 348 C VAL A 25 -4.475 -10.677 -0.861 1.00 0.00 C ATOM 349 O VAL A 25 -3.841 -11.562 -1.443 1.00 0.00 O ATOM 350 CB VAL A 25 -6.899 -11.350 -0.643 1.00 0.00 C ATOM 351 CG1 VAL A 25 -6.632 -11.595 0.845 1.00 0.00 C ATOM 352 CG2 VAL A 25 -8.345 -10.856 -0.779 1.00 0.00 C ATOM 0 H VAL A 25 -6.405 -11.049 -3.145 1.00 0.00 H new ATOM 0 HA VAL A 25 -6.126 -9.342 -0.810 1.00 0.00 H new ATOM 0 HB VAL A 25 -6.752 -12.277 -1.197 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -7.345 -12.326 1.227 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -5.619 -11.975 0.975 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -6.742 -10.659 1.393 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -9.023 -11.595 -0.352 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -8.458 -9.910 -0.249 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -8.583 -10.711 -1.833 1.00 0.00 H new ATOM 362 N LEU A 26 -3.978 -9.959 0.145 1.00 0.00 N ATOM 363 CA LEU A 26 -2.658 -10.045 0.769 1.00 0.00 C ATOM 364 C LEU A 26 -2.762 -10.049 2.307 1.00 0.00 C ATOM 365 O LEU A 26 -3.760 -9.617 2.880 1.00 0.00 O ATOM 366 CB LEU A 26 -1.744 -8.928 0.231 1.00 0.00 C ATOM 367 CG LEU A 26 -1.156 -9.249 -1.162 1.00 0.00 C ATOM 368 CD1 LEU A 26 -2.046 -8.812 -2.332 1.00 0.00 C ATOM 369 CD2 LEU A 26 0.171 -8.531 -1.357 1.00 0.00 C ATOM 0 H LEU A 26 -4.543 -9.233 0.586 1.00 0.00 H new ATOM 0 HA LEU A 26 -2.200 -10.996 0.499 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -2.310 -7.998 0.175 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -0.928 -8.763 0.935 1.00 0.00 H new ATOM 0 HG LEU A 26 -1.056 -10.334 -1.173 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.563 -9.073 -3.274 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -3.009 -9.319 -2.266 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -2.200 -7.734 -2.289 1.00 0.00 H new ATOM 0 HD21 LEU A 26 0.571 -8.768 -2.343 1.00 0.00 H new ATOM 0 HD22 LEU A 26 0.018 -7.455 -1.277 1.00 0.00 H new ATOM 0 HD23 LEU A 26 0.876 -8.855 -0.592 1.00 0.00 H new ATOM 381 N SER A 27 -1.750 -10.561 3.008 1.00 0.00 N ATOM 382 CA SER A 27 -1.642 -10.481 4.470 1.00 0.00 C ATOM 383 C SER A 27 -0.950 -9.180 4.892 1.00 0.00 C ATOM 384 O SER A 27 -0.610 -8.352 4.047 1.00 0.00 O ATOM 385 CB SER A 27 -0.822 -11.680 4.952 1.00 0.00 C ATOM 386 OG SER A 27 0.515 -11.539 4.486 1.00 0.00 O ATOM 0 H SER A 27 -0.969 -11.051 2.572 1.00 0.00 H new ATOM 0 HA SER A 27 -2.638 -10.493 4.912 1.00 0.00 H new ATOM 0 HB2 SER A 27 -0.838 -11.735 6.040 1.00 0.00 H new ATOM 0 HB3 SER A 27 -1.256 -12.608 4.579 1.00 0.00 H new ATOM 0 HG SER A 27 0.733 -12.284 3.887 1.00 0.00 H new ATOM 392 N LYS A 28 -0.647 -9.036 6.188 1.00 0.00 N ATOM 393 CA LYS A 28 0.244 -7.995 6.740 1.00 0.00 C ATOM 394 C LYS A 28 1.568 -7.925 5.963 1.00 0.00 C ATOM 395 O LYS A 28 2.018 -6.848 5.545 1.00 0.00 O ATOM 396 CB LYS A 28 0.471 -8.314 8.238 1.00 0.00 C ATOM 397 CG LYS A 28 0.441 -7.067 9.132 1.00 0.00 C ATOM 398 CD LYS A 28 0.784 -7.420 10.586 1.00 0.00 C ATOM 399 CE LYS A 28 0.689 -6.184 11.490 1.00 0.00 C ATOM 400 NZ LYS A 28 1.091 -6.507 12.884 1.00 0.00 N ATOM 0 H LYS A 28 -1.023 -9.655 6.906 1.00 0.00 H new ATOM 0 HA LYS A 28 -0.216 -7.012 6.640 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -0.295 -9.013 8.574 1.00 0.00 H new ATOM 0 HB3 LYS A 28 1.432 -8.814 8.355 1.00 0.00 H new ATOM 0 HG2 LYS A 28 1.151 -6.330 8.757 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -0.547 -6.609 9.089 1.00 0.00 H new ATOM 0 HD2 LYS A 28 0.104 -8.192 10.947 1.00 0.00 H new ATOM 0 HD3 LYS A 28 1.791 -7.834 10.635 1.00 0.00 H new ATOM 0 HE2 LYS A 28 1.329 -5.393 11.098 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -0.332 -5.802 11.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 0.768 -5.752 13.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 0.660 -7.410 13.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 2.127 -6.585 12.937 1.00 0.00 H new ATOM 414 N GLU A 29 2.144 -9.101 5.711 1.00 0.00 N ATOM 415 CA GLU A 29 3.447 -9.231 5.062 1.00 0.00 C ATOM 416 C GLU A 29 3.339 -9.050 3.543 1.00 0.00 C ATOM 417 O GLU A 29 4.192 -8.411 2.920 1.00 0.00 O ATOM 418 CB GLU A 29 4.108 -10.567 5.423 1.00 0.00 C ATOM 419 CG GLU A 29 4.445 -10.663 6.919 1.00 0.00 C ATOM 420 CD GLU A 29 5.255 -11.937 7.228 1.00 0.00 C ATOM 421 OE1 GLU A 29 6.497 -11.932 7.043 1.00 0.00 O ATOM 422 OE2 GLU A 29 4.661 -12.949 7.673 1.00 0.00 O ATOM 0 H GLU A 29 1.716 -9.995 5.953 1.00 0.00 H new ATOM 0 HA GLU A 29 4.086 -8.431 5.436 1.00 0.00 H new ATOM 0 HB2 GLU A 29 3.442 -11.385 5.149 1.00 0.00 H new ATOM 0 HB3 GLU A 29 5.020 -10.689 4.838 1.00 0.00 H new ATOM 0 HG2 GLU A 29 5.014 -9.785 7.223 1.00 0.00 H new ATOM 0 HG3 GLU A 29 3.524 -10.664 7.502 1.00 0.00 H new ATOM 429 N GLY A 30 2.243 -9.523 2.939 1.00 0.00 N ATOM 430 CA GLY A 30 1.946 -9.227 1.552 1.00 0.00 C ATOM 431 C GLY A 30 1.776 -7.722 1.321 1.00 0.00 C ATOM 432 O GLY A 30 2.422 -7.171 0.432 1.00 0.00 O ATOM 0 H GLY A 30 1.551 -10.114 3.400 1.00 0.00 H new ATOM 0 HA2 GLY A 30 2.749 -9.605 0.919 1.00 0.00 H new ATOM 0 HA3 GLY A 30 1.035 -9.747 1.255 1.00 0.00 H new ATOM 436 N ALA A 31 0.983 -7.029 2.147 1.00 0.00 N ATOM 437 CA ALA A 31 0.755 -5.594 1.995 1.00 0.00 C ATOM 438 C ALA A 31 2.075 -4.821 2.126 1.00 0.00 C ATOM 439 O ALA A 31 2.376 -3.950 1.297 1.00 0.00 O ATOM 440 CB ALA A 31 -0.285 -5.102 3.019 1.00 0.00 C ATOM 0 H ALA A 31 0.486 -7.447 2.933 1.00 0.00 H new ATOM 0 HA ALA A 31 0.357 -5.408 0.997 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -0.443 -4.031 2.892 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -1.227 -5.628 2.863 1.00 0.00 H new ATOM 0 HB3 ALA A 31 0.077 -5.298 4.028 1.00 0.00 H new ATOM 446 N GLU A 32 2.901 -5.168 3.127 1.00 0.00 N ATOM 447 CA GLU A 32 4.193 -4.473 3.240 1.00 0.00 C ATOM 448 C GLU A 32 5.123 -4.777 2.044 1.00 0.00 C ATOM 449 O GLU A 32 5.883 -3.906 1.610 1.00 0.00 O ATOM 450 CB GLU A 32 4.887 -4.671 4.586 1.00 0.00 C ATOM 451 CG GLU A 32 5.608 -6.005 4.743 1.00 0.00 C ATOM 452 CD GLU A 32 6.361 -6.083 6.087 1.00 0.00 C ATOM 453 OE1 GLU A 32 5.708 -6.152 7.156 1.00 0.00 O ATOM 454 OE2 GLU A 32 7.617 -6.075 6.082 1.00 0.00 O ATOM 0 H GLU A 32 2.715 -5.882 3.831 1.00 0.00 H new ATOM 0 HA GLU A 32 3.956 -3.410 3.199 1.00 0.00 H new ATOM 0 HB2 GLU A 32 5.607 -3.866 4.730 1.00 0.00 H new ATOM 0 HB3 GLU A 32 4.144 -4.580 5.379 1.00 0.00 H new ATOM 0 HG2 GLU A 32 4.887 -6.820 4.681 1.00 0.00 H new ATOM 0 HG3 GLU A 32 6.312 -6.139 3.922 1.00 0.00 H new ATOM 461 N GLN A 33 5.037 -5.985 1.457 1.00 0.00 N ATOM 462 CA GLN A 33 5.774 -6.297 0.229 1.00 0.00 C ATOM 463 C GLN A 33 5.302 -5.450 -0.961 1.00 0.00 C ATOM 464 O GLN A 33 6.144 -4.953 -1.712 1.00 0.00 O ATOM 465 CB GLN A 33 5.737 -7.805 -0.079 1.00 0.00 C ATOM 466 CG GLN A 33 6.680 -8.200 -1.233 1.00 0.00 C ATOM 467 CD GLN A 33 8.157 -7.917 -0.939 1.00 0.00 C ATOM 468 OE1 GLN A 33 8.679 -8.220 0.127 1.00 0.00 O ATOM 469 NE2 GLN A 33 8.901 -7.338 -1.856 1.00 0.00 N ATOM 0 H GLN A 33 4.468 -6.753 1.814 1.00 0.00 H new ATOM 0 HA GLN A 33 6.816 -6.029 0.401 1.00 0.00 H new ATOM 0 HB2 GLN A 33 6.013 -8.361 0.817 1.00 0.00 H new ATOM 0 HB3 GLN A 33 4.717 -8.095 -0.333 1.00 0.00 H new ATOM 0 HG2 GLN A 33 6.557 -9.262 -1.445 1.00 0.00 H new ATOM 0 HG3 GLN A 33 6.387 -7.659 -2.133 1.00 0.00 H new ATOM 0 HE21 GLN A 33 8.492 -7.075 -2.753 1.00 0.00 H new ATOM 0 HE22 GLN A 33 9.887 -7.152 -1.670 1.00 0.00 H new ATOM 478 N ILE A 34 3.996 -5.184 -1.091 1.00 0.00 N ATOM 479 CA ILE A 34 3.520 -4.224 -2.106 1.00 0.00 C ATOM 480 C ILE A 34 4.148 -2.863 -1.840 1.00 0.00 C ATOM 481 O ILE A 34 4.630 -2.240 -2.776 1.00 0.00 O ATOM 482 CB ILE A 34 1.995 -4.037 -2.177 1.00 0.00 C ATOM 483 CG1 ILE A 34 1.263 -5.370 -2.357 1.00 0.00 C ATOM 484 CG2 ILE A 34 1.687 -3.117 -3.384 1.00 0.00 C ATOM 485 CD1 ILE A 34 -0.245 -5.212 -2.113 1.00 0.00 C ATOM 0 H ILE A 34 3.262 -5.607 -0.523 1.00 0.00 H new ATOM 0 HA ILE A 34 3.821 -4.652 -3.062 1.00 0.00 H new ATOM 0 HB ILE A 34 1.649 -3.599 -1.241 1.00 0.00 H new ATOM 0 HG12 ILE A 34 1.433 -5.748 -3.365 1.00 0.00 H new ATOM 0 HG13 ILE A 34 1.671 -6.108 -1.666 1.00 0.00 H new ATOM 0 HG21 ILE A 34 0.610 -2.965 -3.461 1.00 0.00 H new ATOM 0 HG22 ILE A 34 2.180 -2.155 -3.243 1.00 0.00 H new ATOM 0 HG23 ILE A 34 2.054 -3.582 -4.299 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -0.738 -6.175 -2.248 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -0.414 -4.857 -1.096 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -0.655 -4.492 -2.821 1.00 0.00 H new ATOM 497 N ILE A 35 4.191 -2.397 -0.590 1.00 0.00 N ATOM 498 CA ILE A 35 4.847 -1.111 -0.304 1.00 0.00 C ATOM 499 C ILE A 35 6.333 -1.084 -0.637 1.00 0.00 C ATOM 500 O ILE A 35 6.829 -0.051 -1.083 1.00 0.00 O ATOM 501 CB ILE A 35 4.508 -0.599 1.100 1.00 0.00 C ATOM 502 CG1 ILE A 35 3.670 0.685 0.948 1.00 0.00 C ATOM 503 CG2 ILE A 35 5.701 -0.383 2.054 1.00 0.00 C ATOM 504 CD1 ILE A 35 4.459 1.891 0.443 1.00 0.00 C ATOM 0 H ILE A 35 3.794 -2.871 0.221 1.00 0.00 H new ATOM 0 HA ILE A 35 4.420 -0.389 -1.000 1.00 0.00 H new ATOM 0 HB ILE A 35 3.948 -1.394 1.593 1.00 0.00 H new ATOM 0 HG12 ILE A 35 2.847 0.489 0.260 1.00 0.00 H new ATOM 0 HG13 ILE A 35 3.227 0.933 1.913 1.00 0.00 H new ATOM 0 HG21 ILE A 35 5.337 -0.020 3.015 1.00 0.00 H new ATOM 0 HG22 ILE A 35 6.227 -1.327 2.198 1.00 0.00 H new ATOM 0 HG23 ILE A 35 6.383 0.351 1.624 1.00 0.00 H new ATOM 0 HD11 ILE A 35 3.796 2.753 0.364 1.00 0.00 H new ATOM 0 HD12 ILE A 35 5.265 2.116 1.141 1.00 0.00 H new ATOM 0 HD13 ILE A 35 4.880 1.666 -0.537 1.00 0.00 H new ATOM 516 N SER A 36 7.019 -2.219 -0.515 1.00 0.00 N ATOM 517 CA SER A 36 8.366 -2.348 -1.066 1.00 0.00 C ATOM 518 C SER A 36 8.340 -2.120 -2.585 1.00 0.00 C ATOM 519 O SER A 36 9.077 -1.265 -3.074 1.00 0.00 O ATOM 520 CB SER A 36 8.991 -3.696 -0.700 1.00 0.00 C ATOM 521 OG SER A 36 10.385 -3.670 -0.961 1.00 0.00 O ATOM 0 H SER A 36 6.669 -3.054 -0.045 1.00 0.00 H new ATOM 0 HA SER A 36 8.999 -1.580 -0.622 1.00 0.00 H new ATOM 0 HB2 SER A 36 8.814 -3.915 0.353 1.00 0.00 H new ATOM 0 HB3 SER A 36 8.520 -4.493 -1.275 1.00 0.00 H new ATOM 0 HG SER A 36 10.779 -4.535 -0.723 1.00 0.00 H new ATOM 527 N GLU A 37 7.418 -2.752 -3.331 1.00 0.00 N ATOM 528 CA GLU A 37 7.289 -2.510 -4.781 1.00 0.00 C ATOM 529 C GLU A 37 6.914 -1.049 -5.109 1.00 0.00 C ATOM 530 O GLU A 37 7.512 -0.444 -5.999 1.00 0.00 O ATOM 531 CB GLU A 37 6.272 -3.454 -5.453 1.00 0.00 C ATOM 532 CG GLU A 37 6.406 -4.958 -5.165 1.00 0.00 C ATOM 533 CD GLU A 37 7.840 -5.511 -5.273 1.00 0.00 C ATOM 534 OE1 GLU A 37 8.567 -5.162 -6.235 1.00 0.00 O ATOM 535 OE2 GLU A 37 8.231 -6.336 -4.412 1.00 0.00 O ATOM 0 H GLU A 37 6.754 -3.431 -2.958 1.00 0.00 H new ATOM 0 HA GLU A 37 8.279 -2.717 -5.187 1.00 0.00 H new ATOM 0 HB2 GLU A 37 5.272 -3.141 -5.152 1.00 0.00 H new ATOM 0 HB3 GLU A 37 6.340 -3.310 -6.531 1.00 0.00 H new ATOM 0 HG2 GLU A 37 6.030 -5.156 -4.161 1.00 0.00 H new ATOM 0 HG3 GLU A 37 5.767 -5.505 -5.859 1.00 0.00 H new ATOM 542 N ILE A 38 5.970 -0.448 -4.377 1.00 0.00 N ATOM 543 CA ILE A 38 5.508 0.929 -4.586 1.00 0.00 C ATOM 544 C ILE A 38 6.648 1.935 -4.348 1.00 0.00 C ATOM 545 O ILE A 38 7.005 2.716 -5.234 1.00 0.00 O ATOM 546 CB ILE A 38 4.269 1.154 -3.682 1.00 0.00 C ATOM 547 CG1 ILE A 38 3.025 0.473 -4.296 1.00 0.00 C ATOM 548 CG2 ILE A 38 3.986 2.620 -3.410 1.00 0.00 C ATOM 549 CD1 ILE A 38 1.778 0.484 -3.395 1.00 0.00 C ATOM 0 H ILE A 38 5.495 -0.916 -3.605 1.00 0.00 H new ATOM 0 HA ILE A 38 5.207 1.093 -5.621 1.00 0.00 H new ATOM 0 HB ILE A 38 4.500 0.697 -2.720 1.00 0.00 H new ATOM 0 HG12 ILE A 38 2.782 0.969 -5.236 1.00 0.00 H new ATOM 0 HG13 ILE A 38 3.274 -0.561 -4.536 1.00 0.00 H new ATOM 0 HG21 ILE A 38 3.107 2.709 -2.772 1.00 0.00 H new ATOM 0 HG22 ILE A 38 4.844 3.070 -2.910 1.00 0.00 H new ATOM 0 HG23 ILE A 38 3.804 3.136 -4.352 1.00 0.00 H new ATOM 0 HD11 ILE A 38 0.955 -0.015 -3.907 1.00 0.00 H new ATOM 0 HD12 ILE A 38 1.997 -0.039 -2.464 1.00 0.00 H new ATOM 0 HD13 ILE A 38 1.497 1.514 -3.175 1.00 0.00 H new ATOM 561 N GLN A 39 7.295 1.873 -3.186 1.00 0.00 N ATOM 562 CA GLN A 39 8.385 2.791 -2.855 1.00 0.00 C ATOM 563 C GLN A 39 9.590 2.588 -3.790 1.00 0.00 C ATOM 564 O GLN A 39 10.279 3.547 -4.151 1.00 0.00 O ATOM 565 CB GLN A 39 8.794 2.613 -1.391 1.00 0.00 C ATOM 566 CG GLN A 39 7.846 3.252 -0.357 1.00 0.00 C ATOM 567 CD GLN A 39 8.548 3.506 0.980 1.00 0.00 C ATOM 568 OE1 GLN A 39 9.402 2.755 1.437 1.00 0.00 O ATOM 569 NE2 GLN A 39 8.215 4.584 1.653 1.00 0.00 N ATOM 0 H GLN A 39 7.083 1.194 -2.455 1.00 0.00 H new ATOM 0 HA GLN A 39 8.029 3.811 -2.998 1.00 0.00 H new ATOM 0 HB2 GLN A 39 8.869 1.546 -1.180 1.00 0.00 H new ATOM 0 HB3 GLN A 39 9.790 3.035 -1.256 1.00 0.00 H new ATOM 0 HG2 GLN A 39 7.461 4.193 -0.750 1.00 0.00 H new ATOM 0 HG3 GLN A 39 6.988 2.599 -0.198 1.00 0.00 H new ATOM 0 HE21 GLN A 39 7.506 5.217 1.284 1.00 0.00 H new ATOM 0 HE22 GLN A 39 8.666 4.788 2.545 1.00 0.00 H new ATOM 578 N ASN A 40 9.817 1.355 -4.245 1.00 0.00 N ATOM 579 CA ASN A 40 10.796 1.056 -5.295 1.00 0.00 C ATOM 580 C ASN A 40 10.387 1.636 -6.664 1.00 0.00 C ATOM 581 O ASN A 40 11.265 2.098 -7.393 1.00 0.00 O ATOM 582 CB ASN A 40 10.997 -0.465 -5.374 1.00 0.00 C ATOM 583 CG ASN A 40 11.793 -1.053 -4.213 1.00 0.00 C ATOM 584 OD1 ASN A 40 12.315 -0.364 -3.346 1.00 0.00 O ATOM 585 ND2 ASN A 40 11.951 -2.358 -4.186 1.00 0.00 N ATOM 0 H ASN A 40 9.326 0.532 -3.896 1.00 0.00 H new ATOM 0 HA ASN A 40 11.738 1.538 -5.033 1.00 0.00 H new ATOM 0 HB2 ASN A 40 10.020 -0.948 -5.411 1.00 0.00 H new ATOM 0 HB3 ASN A 40 11.507 -0.705 -6.307 1.00 0.00 H new ATOM 0 HD21 ASN A 40 12.505 -2.789 -3.446 1.00 0.00 H new ATOM 0 HD22 ASN A 40 11.519 -2.939 -4.905 1.00 0.00 H new ATOM 592 N GLN A 41 9.096 1.703 -7.013 1.00 0.00 N ATOM 593 CA GLN A 41 8.641 2.322 -8.263 1.00 0.00 C ATOM 594 C GLN A 41 8.889 3.833 -8.228 1.00 0.00 C ATOM 595 O GLN A 41 9.385 4.376 -9.218 1.00 0.00 O ATOM 596 CB GLN A 41 7.158 2.003 -8.524 1.00 0.00 C ATOM 597 CG GLN A 41 6.933 0.560 -9.008 1.00 0.00 C ATOM 598 CD GLN A 41 6.839 0.468 -10.529 1.00 0.00 C ATOM 599 OE1 GLN A 41 7.810 0.218 -11.233 1.00 0.00 O ATOM 600 NE2 GLN A 41 5.676 0.685 -11.107 1.00 0.00 N ATOM 0 H GLN A 41 8.340 1.331 -6.438 1.00 0.00 H new ATOM 0 HA GLN A 41 9.216 1.904 -9.089 1.00 0.00 H new ATOM 0 HB2 GLN A 41 6.590 2.167 -7.608 1.00 0.00 H new ATOM 0 HB3 GLN A 41 6.768 2.696 -9.269 1.00 0.00 H new ATOM 0 HG2 GLN A 41 7.751 -0.070 -8.658 1.00 0.00 H new ATOM 0 HG3 GLN A 41 6.017 0.169 -8.565 1.00 0.00 H new ATOM 0 HE21 GLN A 41 4.855 0.895 -10.539 1.00 0.00 H new ATOM 0 HE22 GLN A 41 5.596 0.643 -12.123 1.00 0.00 H new ATOM 609 N LEU A 42 8.659 4.495 -7.081 1.00 0.00 N ATOM 610 CA LEU A 42 9.036 5.912 -6.930 1.00 0.00 C ATOM 611 C LEU A 42 10.548 6.135 -7.041 1.00 0.00 C ATOM 612 O LEU A 42 10.994 7.060 -7.722 1.00 0.00 O ATOM 613 CB LEU A 42 8.464 6.496 -5.630 1.00 0.00 C ATOM 614 CG LEU A 42 8.649 8.030 -5.492 1.00 0.00 C ATOM 615 CD1 LEU A 42 7.477 8.637 -4.731 1.00 0.00 C ATOM 616 CD2 LEU A 42 9.922 8.378 -4.713 1.00 0.00 C ATOM 0 H LEU A 42 8.222 4.081 -6.258 1.00 0.00 H new ATOM 0 HA LEU A 42 8.591 6.453 -7.765 1.00 0.00 H new ATOM 0 HB2 LEU A 42 7.401 6.262 -5.576 1.00 0.00 H new ATOM 0 HB3 LEU A 42 8.942 6.005 -4.782 1.00 0.00 H new ATOM 0 HG LEU A 42 8.713 8.430 -6.504 1.00 0.00 H new ATOM 0 HD11 LEU A 42 7.620 9.714 -4.641 1.00 0.00 H new ATOM 0 HD12 LEU A 42 6.551 8.437 -5.270 1.00 0.00 H new ATOM 0 HD13 LEU A 42 7.421 8.195 -3.736 1.00 0.00 H new ATOM 0 HD21 LEU A 42 10.017 9.461 -4.637 1.00 0.00 H new ATOM 0 HD22 LEU A 42 9.866 7.948 -3.713 1.00 0.00 H new ATOM 0 HD23 LEU A 42 10.790 7.973 -5.234 1.00 0.00 H new ATOM 628 N GLN A 43 11.338 5.278 -6.394 1.00 0.00 N ATOM 629 CA GLN A 43 12.806 5.388 -6.375 1.00 0.00 C ATOM 630 C GLN A 43 13.483 4.842 -7.650 1.00 0.00 C ATOM 631 O GLN A 43 14.685 5.036 -7.838 1.00 0.00 O ATOM 632 CB GLN A 43 13.338 4.719 -5.098 1.00 0.00 C ATOM 633 CG GLN A 43 12.893 5.504 -3.851 1.00 0.00 C ATOM 634 CD GLN A 43 13.250 4.799 -2.549 1.00 0.00 C ATOM 635 OE1 GLN A 43 14.032 5.290 -1.745 1.00 0.00 O ATOM 636 NE2 GLN A 43 12.644 3.669 -2.266 1.00 0.00 N ATOM 0 H GLN A 43 10.981 4.483 -5.864 1.00 0.00 H new ATOM 0 HA GLN A 43 13.066 6.446 -6.365 1.00 0.00 H new ATOM 0 HB2 GLN A 43 12.973 3.694 -5.039 1.00 0.00 H new ATOM 0 HB3 GLN A 43 14.426 4.668 -5.134 1.00 0.00 H new ATOM 0 HG2 GLN A 43 13.357 6.490 -3.864 1.00 0.00 H new ATOM 0 HG3 GLN A 43 11.815 5.659 -3.891 1.00 0.00 H new ATOM 0 HE21 GLN A 43 11.992 3.258 -2.935 1.00 0.00 H new ATOM 0 HE22 GLN A 43 12.825 3.202 -1.378 1.00 0.00 H new ATOM 645 N ASN A 44 12.721 4.176 -8.528 1.00 0.00 N ATOM 646 CA ASN A 44 13.193 3.470 -9.728 1.00 0.00 C ATOM 647 C ASN A 44 14.217 2.356 -9.388 1.00 0.00 C ATOM 648 O ASN A 44 15.161 2.096 -10.139 1.00 0.00 O ATOM 649 CB ASN A 44 13.667 4.457 -10.822 1.00 0.00 C ATOM 650 CG ASN A 44 12.755 5.632 -11.175 1.00 0.00 C ATOM 651 OD1 ASN A 44 13.231 6.662 -11.637 1.00 0.00 O ATOM 652 ND2 ASN A 44 11.451 5.558 -11.025 1.00 0.00 N ATOM 0 H ASN A 44 11.709 4.111 -8.416 1.00 0.00 H new ATOM 0 HA ASN A 44 12.343 2.943 -10.161 1.00 0.00 H new ATOM 0 HB2 ASN A 44 14.629 4.863 -10.510 1.00 0.00 H new ATOM 0 HB3 ASN A 44 13.843 3.886 -11.733 1.00 0.00 H new ATOM 0 HD21 ASN A 44 10.861 6.347 -11.291 1.00 0.00 H new ATOM 0 HD22 ASN A 44 11.029 4.712 -10.643 1.00 0.00 H new ATOM 659 N LEU A 45 14.040 1.716 -8.225 1.00 0.00 N ATOM 660 CA LEU A 45 14.923 0.688 -7.666 1.00 0.00 C ATOM 661 C LEU A 45 14.520 -0.685 -8.234 1.00 0.00 C ATOM 662 O LEU A 45 13.452 -1.207 -7.904 1.00 0.00 O ATOM 663 CB LEU A 45 14.859 0.794 -6.127 1.00 0.00 C ATOM 664 CG LEU A 45 15.999 0.087 -5.366 1.00 0.00 C ATOM 665 CD1 LEU A 45 15.953 0.500 -3.893 1.00 0.00 C ATOM 666 CD2 LEU A 45 15.923 -1.440 -5.422 1.00 0.00 C ATOM 0 H LEU A 45 13.241 1.911 -7.622 1.00 0.00 H new ATOM 0 HA LEU A 45 15.966 0.828 -7.950 1.00 0.00 H new ATOM 0 HB2 LEU A 45 14.861 1.849 -5.852 1.00 0.00 H new ATOM 0 HB3 LEU A 45 13.909 0.379 -5.791 1.00 0.00 H new ATOM 0 HG LEU A 45 16.924 0.392 -5.855 1.00 0.00 H new ATOM 0 HD11 LEU A 45 16.757 0.003 -3.350 1.00 0.00 H new ATOM 0 HD12 LEU A 45 16.076 1.580 -3.814 1.00 0.00 H new ATOM 0 HD13 LEU A 45 14.993 0.212 -3.464 1.00 0.00 H new ATOM 0 HD21 LEU A 45 16.757 -1.866 -4.865 1.00 0.00 H new ATOM 0 HD22 LEU A 45 14.984 -1.774 -4.981 1.00 0.00 H new ATOM 0 HD23 LEU A 45 15.974 -1.769 -6.460 1.00 0.00 H new ATOM 678 N LYS A 46 15.359 -1.241 -9.118 1.00 0.00 N ATOM 679 CA LYS A 46 15.110 -2.467 -9.908 1.00 0.00 C ATOM 680 C LYS A 46 16.409 -3.236 -10.192 1.00 0.00 C ATOM 681 O LYS A 46 16.383 -4.486 -10.124 1.00 0.00 O ATOM 682 CB LYS A 46 14.378 -2.128 -11.226 1.00 0.00 C ATOM 683 CG LYS A 46 12.963 -1.573 -10.984 1.00 0.00 C ATOM 684 CD LYS A 46 12.140 -1.412 -12.265 1.00 0.00 C ATOM 685 CE LYS A 46 10.764 -0.869 -11.857 1.00 0.00 C ATOM 686 NZ LYS A 46 9.856 -0.676 -13.015 1.00 0.00 N ATOM 687 OXT LYS A 46 17.446 -2.591 -10.472 1.00 0.00 O ATOM 0 H LYS A 46 16.273 -0.834 -9.315 1.00 0.00 H new ATOM 0 HA LYS A 46 14.470 -3.116 -9.311 1.00 0.00 H new ATOM 0 HB2 LYS A 46 14.962 -1.397 -11.785 1.00 0.00 H new ATOM 0 HB3 LYS A 46 14.313 -3.024 -11.844 1.00 0.00 H new ATOM 0 HG2 LYS A 46 12.433 -2.238 -10.303 1.00 0.00 H new ATOM 0 HG3 LYS A 46 13.041 -0.605 -10.488 1.00 0.00 H new ATOM 0 HD2 LYS A 46 12.634 -0.728 -12.956 1.00 0.00 H new ATOM 0 HD3 LYS A 46 12.039 -2.367 -12.780 1.00 0.00 H new ATOM 0 HE2 LYS A 46 10.302 -1.557 -11.149 1.00 0.00 H new ATOM 0 HE3 LYS A 46 10.892 0.082 -11.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 8.936 -0.324 -12.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 10.273 0.015 -13.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 9.722 -1.583 -13.506 1.00 0.00 H new TER 701 LYS A 46 ATOM 702 N MET B 1 -14.579 -23.221 -4.246 1.00 0.00 N ATOM 703 CA MET B 1 -14.444 -22.112 -3.264 1.00 0.00 C ATOM 704 C MET B 1 -13.174 -22.297 -2.429 1.00 0.00 C ATOM 705 O MET B 1 -12.852 -23.418 -2.032 1.00 0.00 O ATOM 706 CB MET B 1 -15.697 -21.997 -2.371 1.00 0.00 C ATOM 707 CG MET B 1 -15.679 -20.761 -1.460 1.00 0.00 C ATOM 708 SD MET B 1 -17.188 -20.548 -0.474 1.00 0.00 S ATOM 709 CE MET B 1 -16.746 -19.037 0.427 1.00 0.00 C ATOM 0 H1 MET B 1 -15.582 -23.477 -4.344 1.00 0.00 H new ATOM 0 H2 MET B 1 -14.208 -22.915 -5.168 1.00 0.00 H new ATOM 0 H3 MET B 1 -14.042 -24.047 -3.913 1.00 0.00 H new ATOM 0 HA MET B 1 -14.357 -21.174 -3.813 1.00 0.00 H new ATOM 0 HB2 MET B 1 -16.584 -21.961 -3.004 1.00 0.00 H new ATOM 0 HB3 MET B 1 -15.780 -22.893 -1.756 1.00 0.00 H new ATOM 0 HG2 MET B 1 -14.824 -20.831 -0.787 1.00 0.00 H new ATOM 0 HG3 MET B 1 -15.530 -19.872 -2.073 1.00 0.00 H new ATOM 0 HE1 MET B 1 -17.565 -18.755 1.088 1.00 0.00 H new ATOM 0 HE2 MET B 1 -15.848 -19.215 1.018 1.00 0.00 H new ATOM 0 HE3 MET B 1 -16.559 -18.231 -0.283 1.00 0.00 H new ATOM 721 N ASN B 2 -12.447 -21.206 -2.158 1.00 0.00 N ATOM 722 CA ASN B 2 -11.188 -21.191 -1.397 1.00 0.00 C ATOM 723 C ASN B 2 -11.153 -20.008 -0.406 1.00 0.00 C ATOM 724 O ASN B 2 -11.842 -19.001 -0.597 1.00 0.00 O ATOM 725 CB ASN B 2 -9.999 -21.126 -2.380 1.00 0.00 C ATOM 726 CG ASN B 2 -9.922 -22.322 -3.319 1.00 0.00 C ATOM 727 OD1 ASN B 2 -10.552 -22.365 -4.368 1.00 0.00 O ATOM 728 ND2 ASN B 2 -9.152 -23.331 -2.980 1.00 0.00 N ATOM 0 H ASN B 2 -12.727 -20.277 -2.472 1.00 0.00 H new ATOM 0 HA ASN B 2 -11.116 -22.107 -0.810 1.00 0.00 H new ATOM 0 HB2 ASN B 2 -10.076 -20.214 -2.972 1.00 0.00 H new ATOM 0 HB3 ASN B 2 -9.071 -21.060 -1.812 1.00 0.00 H new ATOM 0 HD21 ASN B 2 -9.081 -24.146 -3.590 1.00 0.00 H new ATOM 0 HD22 ASN B 2 -8.625 -23.300 -2.107 1.00 0.00 H new ATOM 735 N CYS B 3 -10.333 -20.119 0.644 1.00 0.00 N ATOM 736 CA CYS B 3 -10.154 -19.074 1.660 1.00 0.00 C ATOM 737 C CYS B 3 -9.361 -17.863 1.127 1.00 0.00 C ATOM 738 O CYS B 3 -8.515 -17.995 0.236 1.00 0.00 O ATOM 739 CB CYS B 3 -9.472 -19.680 2.897 1.00 0.00 C ATOM 740 SG CYS B 3 -10.505 -21.001 3.605 1.00 0.00 S ATOM 0 H CYS B 3 -9.766 -20.949 0.815 1.00 0.00 H new ATOM 0 HA CYS B 3 -11.139 -18.696 1.934 1.00 0.00 H new ATOM 0 HB2 CYS B 3 -8.496 -20.080 2.623 1.00 0.00 H new ATOM 0 HB3 CYS B 3 -9.301 -18.904 3.643 1.00 0.00 H new ATOM 0 HG CYS B 3 -9.913 -21.503 4.648 1.00 0.00 H new ATOM 746 N MET B 4 -9.595 -16.681 1.707 1.00 0.00 N ATOM 747 CA MET B 4 -8.868 -15.446 1.380 1.00 0.00 C ATOM 748 C MET B 4 -7.451 -15.455 1.970 1.00 0.00 C ATOM 749 O MET B 4 -7.240 -15.158 3.146 1.00 0.00 O ATOM 750 CB MET B 4 -9.672 -14.223 1.846 1.00 0.00 C ATOM 751 CG MET B 4 -10.623 -13.759 0.741 1.00 0.00 C ATOM 752 SD MET B 4 -11.631 -12.320 1.194 1.00 0.00 S ATOM 753 CE MET B 4 -12.520 -12.081 -0.368 1.00 0.00 C ATOM 0 H MET B 4 -10.305 -16.552 2.428 1.00 0.00 H new ATOM 0 HA MET B 4 -8.755 -15.387 0.297 1.00 0.00 H new ATOM 0 HB2 MET B 4 -10.240 -14.473 2.742 1.00 0.00 H new ATOM 0 HB3 MET B 4 -8.993 -13.414 2.114 1.00 0.00 H new ATOM 0 HG2 MET B 4 -10.041 -13.517 -0.148 1.00 0.00 H new ATOM 0 HG3 MET B 4 -11.284 -14.584 0.474 1.00 0.00 H new ATOM 0 HE1 MET B 4 -13.194 -11.229 -0.276 1.00 0.00 H new ATOM 0 HE2 MET B 4 -11.805 -11.893 -1.169 1.00 0.00 H new ATOM 0 HE3 MET B 4 -13.096 -12.977 -0.599 1.00 0.00 H new ATOM 763 N THR B 5 -6.475 -15.789 1.127 1.00 0.00 N ATOM 764 CA THR B 5 -5.052 -15.913 1.471 1.00 0.00 C ATOM 765 C THR B 5 -4.187 -14.970 0.637 1.00 0.00 C ATOM 766 O THR B 5 -4.549 -14.603 -0.483 1.00 0.00 O ATOM 767 CB THR B 5 -4.584 -17.370 1.323 1.00 0.00 C ATOM 768 OG1 THR B 5 -3.314 -17.506 1.909 1.00 0.00 O ATOM 769 CG2 THR B 5 -4.489 -17.853 -0.130 1.00 0.00 C ATOM 0 H THR B 5 -6.658 -15.990 0.144 1.00 0.00 H new ATOM 0 HA THR B 5 -4.936 -15.620 2.514 1.00 0.00 H new ATOM 0 HB THR B 5 -5.338 -17.982 1.818 1.00 0.00 H new ATOM 0 HG1 THR B 5 -3.010 -18.433 1.820 1.00 0.00 H new ATOM 0 HG21 THR B 5 -4.152 -18.890 -0.148 1.00 0.00 H new ATOM 0 HG22 THR B 5 -5.469 -17.782 -0.602 1.00 0.00 H new ATOM 0 HG23 THR B 5 -3.778 -17.231 -0.674 1.00 0.00 H new ATOM 777 N CYS B 6 -3.027 -14.589 1.169 1.00 0.00 N ATOM 778 CA CYS B 6 -2.036 -13.792 0.467 1.00 0.00 C ATOM 779 C CYS B 6 -1.474 -14.501 -0.775 1.00 0.00 C ATOM 780 O CYS B 6 -0.900 -15.581 -0.666 1.00 0.00 O ATOM 781 CB CYS B 6 -0.937 -13.410 1.461 1.00 0.00 C ATOM 782 SG CYS B 6 0.204 -12.251 0.664 1.00 0.00 S ATOM 0 H CYS B 6 -2.749 -14.833 2.120 1.00 0.00 H new ATOM 0 HA CYS B 6 -2.512 -12.890 0.082 1.00 0.00 H new ATOM 0 HB2 CYS B 6 -1.375 -12.956 2.350 1.00 0.00 H new ATOM 0 HB3 CYS B 6 -0.401 -14.300 1.789 1.00 0.00 H new ATOM 0 HG CYS B 6 1.039 -11.789 1.546 1.00 0.00 H new ATOM 788 N GLN B 7 -1.553 -13.871 -1.951 1.00 0.00 N ATOM 789 CA GLN B 7 -0.933 -14.415 -3.170 1.00 0.00 C ATOM 790 C GLN B 7 0.599 -14.202 -3.222 1.00 0.00 C ATOM 791 O GLN B 7 1.294 -14.913 -3.952 1.00 0.00 O ATOM 792 CB GLN B 7 -1.686 -13.840 -4.384 1.00 0.00 C ATOM 793 CG GLN B 7 -1.208 -14.338 -5.763 1.00 0.00 C ATOM 794 CD GLN B 7 -1.353 -15.848 -5.954 1.00 0.00 C ATOM 795 OE1 GLN B 7 -2.360 -16.351 -6.437 1.00 0.00 O ATOM 796 NE2 GLN B 7 -0.362 -16.631 -5.582 1.00 0.00 N ATOM 0 H GLN B 7 -2.039 -12.985 -2.088 1.00 0.00 H new ATOM 0 HA GLN B 7 -1.031 -15.501 -3.178 1.00 0.00 H new ATOM 0 HB2 GLN B 7 -2.744 -14.079 -4.279 1.00 0.00 H new ATOM 0 HB3 GLN B 7 -1.600 -12.754 -4.361 1.00 0.00 H new ATOM 0 HG2 GLN B 7 -1.774 -13.826 -6.541 1.00 0.00 H new ATOM 0 HG3 GLN B 7 -0.162 -14.062 -5.897 1.00 0.00 H new ATOM 0 HE21 GLN B 7 0.483 -16.227 -5.178 1.00 0.00 H new ATOM 0 HE22 GLN B 7 -0.439 -17.641 -5.698 1.00 0.00 H new ATOM 805 N VAL B 8 1.143 -13.266 -2.432 1.00 0.00 N ATOM 806 CA VAL B 8 2.580 -12.905 -2.410 1.00 0.00 C ATOM 807 C VAL B 8 3.373 -13.655 -1.321 1.00 0.00 C ATOM 808 O VAL B 8 4.575 -13.874 -1.478 1.00 0.00 O ATOM 809 CB VAL B 8 2.725 -11.372 -2.277 1.00 0.00 C ATOM 810 CG1 VAL B 8 4.177 -10.883 -2.223 1.00 0.00 C ATOM 811 CG2 VAL B 8 2.060 -10.665 -3.469 1.00 0.00 C ATOM 0 H VAL B 8 0.588 -12.722 -1.772 1.00 0.00 H new ATOM 0 HA VAL B 8 3.020 -13.223 -3.355 1.00 0.00 H new ATOM 0 HB VAL B 8 2.243 -11.128 -1.330 1.00 0.00 H new ATOM 0 HG11 VAL B 8 4.192 -9.797 -2.130 1.00 0.00 H new ATOM 0 HG12 VAL B 8 4.679 -11.328 -1.364 1.00 0.00 H new ATOM 0 HG13 VAL B 8 4.694 -11.176 -3.137 1.00 0.00 H new ATOM 0 HG21 VAL B 8 2.171 -9.586 -3.360 1.00 0.00 H new ATOM 0 HG22 VAL B 8 2.536 -10.987 -4.395 1.00 0.00 H new ATOM 0 HG23 VAL B 8 1.001 -10.920 -3.498 1.00 0.00 H new ATOM 821 N THR B 9 2.711 -14.086 -0.240 1.00 0.00 N ATOM 822 CA THR B 9 3.342 -14.753 0.925 1.00 0.00 C ATOM 823 C THR B 9 2.676 -16.079 1.299 1.00 0.00 C ATOM 824 O THR B 9 3.353 -17.008 1.744 1.00 0.00 O ATOM 825 CB THR B 9 3.359 -13.844 2.166 1.00 0.00 C ATOM 826 OG1 THR B 9 2.051 -13.688 2.666 1.00 0.00 O ATOM 827 CG2 THR B 9 3.910 -12.447 1.883 1.00 0.00 C ATOM 0 H THR B 9 1.701 -13.983 -0.141 1.00 0.00 H new ATOM 0 HA THR B 9 4.363 -14.962 0.606 1.00 0.00 H new ATOM 0 HB THR B 9 4.014 -14.335 2.886 1.00 0.00 H new ATOM 0 HG1 THR B 9 1.433 -13.531 1.922 1.00 0.00 H new ATOM 0 HG21 THR B 9 3.894 -11.857 2.799 1.00 0.00 H new ATOM 0 HG22 THR B 9 4.935 -12.527 1.520 1.00 0.00 H new ATOM 0 HG23 THR B 9 3.294 -11.959 1.127 1.00 0.00 H new ATOM 835 N GLY B 10 1.358 -16.181 1.094 1.00 0.00 N ATOM 836 CA GLY B 10 0.558 -17.370 1.433 1.00 0.00 C ATOM 837 C GLY B 10 -0.099 -17.323 2.817 1.00 0.00 C ATOM 838 O GLY B 10 -0.668 -18.322 3.260 1.00 0.00 O ATOM 0 H GLY B 10 0.806 -15.429 0.681 1.00 0.00 H new ATOM 0 HA2 GLY B 10 -0.220 -17.495 0.680 1.00 0.00 H new ATOM 0 HA3 GLY B 10 1.199 -18.250 1.379 1.00 0.00 H new ATOM 842 N GLU B 11 -0.016 -16.187 3.517 1.00 0.00 N ATOM 843 CA GLU B 11 -0.646 -15.977 4.826 1.00 0.00 C ATOM 844 C GLU B 11 -2.120 -15.558 4.734 1.00 0.00 C ATOM 845 O GLU B 11 -2.521 -14.762 3.889 1.00 0.00 O ATOM 846 CB GLU B 11 0.162 -14.955 5.632 1.00 0.00 C ATOM 847 CG GLU B 11 1.424 -15.576 6.230 1.00 0.00 C ATOM 848 CD GLU B 11 1.111 -16.531 7.399 1.00 0.00 C ATOM 849 OE1 GLU B 11 0.823 -16.051 8.523 1.00 0.00 O ATOM 850 OE2 GLU B 11 1.144 -17.770 7.204 1.00 0.00 O ATOM 0 H GLU B 11 0.500 -15.373 3.184 1.00 0.00 H new ATOM 0 HA GLU B 11 -0.642 -16.938 5.339 1.00 0.00 H new ATOM 0 HB2 GLU B 11 0.438 -14.120 4.988 1.00 0.00 H new ATOM 0 HB3 GLU B 11 -0.458 -14.550 6.432 1.00 0.00 H new ATOM 0 HG2 GLU B 11 1.961 -16.120 5.453 1.00 0.00 H new ATOM 0 HG3 GLU B 11 2.086 -14.783 6.579 1.00 0.00 H new ATOM 857 N VAL B 12 -2.921 -16.079 5.658 1.00 0.00 N ATOM 858 CA VAL B 12 -4.388 -15.931 5.713 1.00 0.00 C ATOM 859 C VAL B 12 -4.840 -15.309 7.037 1.00 0.00 C ATOM 860 O VAL B 12 -4.520 -15.819 8.115 1.00 0.00 O ATOM 861 CB VAL B 12 -5.108 -17.268 5.400 1.00 0.00 C ATOM 862 CG1 VAL B 12 -4.501 -18.495 6.100 1.00 0.00 C ATOM 863 CG2 VAL B 12 -6.605 -17.244 5.737 1.00 0.00 C ATOM 0 H VAL B 12 -2.558 -16.642 6.427 1.00 0.00 H new ATOM 0 HA VAL B 12 -4.682 -15.234 4.929 1.00 0.00 H new ATOM 0 HB VAL B 12 -4.965 -17.366 4.324 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -5.065 -19.386 5.826 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -3.462 -18.613 5.791 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -4.544 -18.356 7.180 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -7.048 -18.210 5.494 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -6.735 -17.042 6.800 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -7.096 -16.463 5.156 1.00 0.00 H new ATOM 873 N SER B 13 -5.621 -14.226 6.949 1.00 0.00 N ATOM 874 CA SER B 13 -6.284 -13.579 8.095 1.00 0.00 C ATOM 875 C SER B 13 -7.761 -13.274 7.809 1.00 0.00 C ATOM 876 O SER B 13 -8.150 -13.055 6.662 1.00 0.00 O ATOM 877 CB SER B 13 -5.557 -12.278 8.466 1.00 0.00 C ATOM 878 OG SER B 13 -4.189 -12.515 8.763 1.00 0.00 O ATOM 0 H SER B 13 -5.816 -13.763 6.062 1.00 0.00 H new ATOM 0 HA SER B 13 -6.239 -14.279 8.929 1.00 0.00 H new ATOM 0 HB2 SER B 13 -5.634 -11.569 7.642 1.00 0.00 H new ATOM 0 HB3 SER B 13 -6.044 -11.820 9.327 1.00 0.00 H new ATOM 0 HG SER B 13 -3.877 -11.855 9.416 1.00 0.00 H new ATOM 884 N ASP B 14 -8.595 -13.191 8.850 1.00 0.00 N ATOM 885 CA ASP B 14 -9.990 -12.726 8.722 1.00 0.00 C ATOM 886 C ASP B 14 -10.082 -11.221 8.400 1.00 0.00 C ATOM 887 O ASP B 14 -10.985 -10.775 7.692 1.00 0.00 O ATOM 888 CB ASP B 14 -10.791 -13.062 9.990 1.00 0.00 C ATOM 889 CG ASP B 14 -10.630 -14.524 10.438 1.00 0.00 C ATOM 890 OD1 ASP B 14 -11.370 -15.399 9.928 1.00 0.00 O ATOM 891 OD2 ASP B 14 -9.772 -14.802 11.311 1.00 0.00 O ATOM 0 H ASP B 14 -8.329 -13.441 9.802 1.00 0.00 H new ATOM 0 HA ASP B 14 -10.428 -13.258 7.877 1.00 0.00 H new ATOM 0 HB2 ASP B 14 -10.472 -12.404 10.798 1.00 0.00 H new ATOM 0 HB3 ASP B 14 -11.846 -12.858 9.810 1.00 0.00 H new ATOM 896 N ASP B 15 -9.100 -10.449 8.867 1.00 0.00 N ATOM 897 CA ASP B 15 -8.902 -9.015 8.646 1.00 0.00 C ATOM 898 C ASP B 15 -7.951 -8.717 7.462 1.00 0.00 C ATOM 899 O ASP B 15 -7.179 -7.756 7.490 1.00 0.00 O ATOM 900 CB ASP B 15 -8.452 -8.373 9.968 1.00 0.00 C ATOM 901 CG ASP B 15 -9.334 -8.769 11.165 1.00 0.00 C ATOM 902 OD1 ASP B 15 -10.447 -8.208 11.309 1.00 0.00 O ATOM 903 OD2 ASP B 15 -8.918 -9.640 11.969 1.00 0.00 O ATOM 0 H ASP B 15 -8.365 -10.840 9.456 1.00 0.00 H new ATOM 0 HA ASP B 15 -9.847 -8.563 8.345 1.00 0.00 H new ATOM 0 HB2 ASP B 15 -7.421 -8.663 10.173 1.00 0.00 H new ATOM 0 HB3 ASP B 15 -8.463 -7.288 9.860 1.00 0.00 H new ATOM 908 N ASN B 16 -7.936 -9.595 6.450 1.00 0.00 N ATOM 909 CA ASN B 16 -6.987 -9.566 5.331 1.00 0.00 C ATOM 910 C ASN B 16 -6.988 -8.260 4.505 1.00 0.00 C ATOM 911 O ASN B 16 -7.995 -7.562 4.359 1.00 0.00 O ATOM 912 CB ASN B 16 -7.172 -10.800 4.435 1.00 0.00 C ATOM 913 CG ASN B 16 -8.577 -10.921 3.862 1.00 0.00 C ATOM 914 OD1 ASN B 16 -8.965 -10.229 2.933 1.00 0.00 O ATOM 915 ND2 ASN B 16 -9.383 -11.805 4.401 1.00 0.00 N ATOM 0 H ASN B 16 -8.602 -10.365 6.386 1.00 0.00 H new ATOM 0 HA ASN B 16 -5.998 -9.594 5.789 1.00 0.00 H new ATOM 0 HB2 ASN B 16 -6.455 -10.756 3.615 1.00 0.00 H new ATOM 0 HB3 ASN B 16 -6.943 -11.697 5.011 1.00 0.00 H new ATOM 0 HD21 ASN B 16 -10.332 -11.914 4.044 1.00 0.00 H new ATOM 0 HD22 ASN B 16 -9.060 -12.383 5.177 1.00 0.00 H new ATOM 922 N LEU B 17 -5.807 -7.957 3.966 1.00 0.00 N ATOM 923 CA LEU B 17 -5.426 -6.728 3.268 1.00 0.00 C ATOM 924 C LEU B 17 -5.557 -6.892 1.747 1.00 0.00 C ATOM 925 O LEU B 17 -5.684 -8.011 1.250 1.00 0.00 O ATOM 926 CB LEU B 17 -4.000 -6.335 3.726 1.00 0.00 C ATOM 927 CG LEU B 17 -3.871 -6.269 5.262 1.00 0.00 C ATOM 928 CD1 LEU B 17 -2.460 -5.958 5.746 1.00 0.00 C ATOM 929 CD2 LEU B 17 -4.837 -5.242 5.837 1.00 0.00 C ATOM 0 H LEU B 17 -5.030 -8.617 4.009 1.00 0.00 H new ATOM 0 HA LEU B 17 -6.103 -5.913 3.525 1.00 0.00 H new ATOM 0 HB2 LEU B 17 -3.284 -7.058 3.335 1.00 0.00 H new ATOM 0 HB3 LEU B 17 -3.739 -5.366 3.301 1.00 0.00 H new ATOM 0 HG LEU B 17 -4.120 -7.268 5.621 1.00 0.00 H new ATOM 0 HD11 LEU B 17 -2.447 -5.928 6.836 1.00 0.00 H new ATOM 0 HD12 LEU B 17 -1.777 -6.732 5.396 1.00 0.00 H new ATOM 0 HD13 LEU B 17 -2.145 -4.991 5.353 1.00 0.00 H new ATOM 0 HD21 LEU B 17 -4.731 -5.210 6.921 1.00 0.00 H new ATOM 0 HD22 LEU B 17 -4.613 -4.259 5.421 1.00 0.00 H new ATOM 0 HD23 LEU B 17 -5.859 -5.520 5.580 1.00 0.00 H new ATOM 941 N LYS B 18 -5.588 -5.786 0.993 1.00 0.00 N ATOM 942 CA LYS B 18 -5.870 -5.819 -0.454 1.00 0.00 C ATOM 943 C LYS B 18 -4.981 -4.876 -1.281 1.00 0.00 C ATOM 944 O LYS B 18 -4.526 -3.844 -0.787 1.00 0.00 O ATOM 945 CB LYS B 18 -7.373 -5.596 -0.715 1.00 0.00 C ATOM 946 CG LYS B 18 -8.293 -6.575 0.034 1.00 0.00 C ATOM 947 CD LYS B 18 -9.761 -6.417 -0.381 1.00 0.00 C ATOM 948 CE LYS B 18 -10.625 -7.405 0.416 1.00 0.00 C ATOM 949 NZ LYS B 18 -12.066 -7.274 0.074 1.00 0.00 N ATOM 0 H LYS B 18 -5.420 -4.850 1.361 1.00 0.00 H new ATOM 0 HA LYS B 18 -5.607 -6.817 -0.805 1.00 0.00 H new ATOM 0 HB2 LYS B 18 -7.633 -4.577 -0.427 1.00 0.00 H new ATOM 0 HB3 LYS B 18 -7.562 -5.683 -1.785 1.00 0.00 H new ATOM 0 HG2 LYS B 18 -7.969 -7.597 -0.161 1.00 0.00 H new ATOM 0 HG3 LYS B 18 -8.200 -6.410 1.107 1.00 0.00 H new ATOM 0 HD2 LYS B 18 -10.094 -5.395 -0.198 1.00 0.00 H new ATOM 0 HD3 LYS B 18 -9.870 -6.601 -1.450 1.00 0.00 H new ATOM 0 HE2 LYS B 18 -10.294 -8.424 0.214 1.00 0.00 H new ATOM 0 HE3 LYS B 18 -10.487 -7.231 1.483 1.00 0.00 H new ATOM 0 HZ1 LYS B 18 -12.618 -7.956 0.631 1.00 0.00 H new ATOM 0 HZ2 LYS B 18 -12.388 -6.309 0.291 1.00 0.00 H new ATOM 0 HZ3 LYS B 18 -12.201 -7.465 -0.939 1.00 0.00 H new ATOM 963 N LEU B 19 -4.725 -5.258 -2.537 1.00 0.00 N ATOM 964 CA LEU B 19 -3.740 -4.638 -3.436 1.00 0.00 C ATOM 965 C LEU B 19 -4.150 -3.238 -3.934 1.00 0.00 C ATOM 966 O LEU B 19 -5.319 -2.854 -3.891 1.00 0.00 O ATOM 967 CB LEU B 19 -3.404 -5.663 -4.545 1.00 0.00 C ATOM 968 CG LEU B 19 -2.103 -5.413 -5.345 1.00 0.00 C ATOM 969 CD1 LEU B 19 -1.360 -6.724 -5.596 1.00 0.00 C ATOM 970 CD2 LEU B 19 -2.389 -4.797 -6.716 1.00 0.00 C ATOM 0 H LEU B 19 -5.216 -6.038 -2.974 1.00 0.00 H new ATOM 0 HA LEU B 19 -2.824 -4.414 -2.890 1.00 0.00 H new ATOM 0 HB2 LEU B 19 -3.339 -6.651 -4.088 1.00 0.00 H new ATOM 0 HB3 LEU B 19 -4.237 -5.691 -5.248 1.00 0.00 H new ATOM 0 HG LEU B 19 -1.504 -4.730 -4.743 1.00 0.00 H new ATOM 0 HD11 LEU B 19 -0.449 -6.524 -6.160 1.00 0.00 H new ATOM 0 HD12 LEU B 19 -1.103 -7.185 -4.642 1.00 0.00 H new ATOM 0 HD13 LEU B 19 -1.998 -7.400 -6.165 1.00 0.00 H new ATOM 0 HD21 LEU B 19 -1.450 -4.637 -7.246 1.00 0.00 H new ATOM 0 HD22 LEU B 19 -3.021 -5.472 -7.293 1.00 0.00 H new ATOM 0 HD23 LEU B 19 -2.900 -3.843 -6.587 1.00 0.00 H new ATOM 982 N ALA B 20 -3.178 -2.455 -4.398 1.00 0.00 N ATOM 983 CA ALA B 20 -3.359 -1.032 -4.701 1.00 0.00 C ATOM 984 C ALA B 20 -4.197 -0.785 -5.976 1.00 0.00 C ATOM 985 O ALA B 20 -3.997 -1.446 -6.995 1.00 0.00 O ATOM 986 CB ALA B 20 -1.988 -0.347 -4.767 1.00 0.00 C ATOM 0 H ALA B 20 -2.232 -2.792 -4.577 1.00 0.00 H new ATOM 0 HA ALA B 20 -3.939 -0.587 -3.893 1.00 0.00 H new ATOM 0 HB1 ALA B 20 -2.120 0.711 -4.992 1.00 0.00 H new ATOM 0 HB2 ALA B 20 -1.482 -0.453 -3.808 1.00 0.00 H new ATOM 0 HB3 ALA B 20 -1.386 -0.812 -5.548 1.00 0.00 H new ATOM 992 N GLY B 21 -5.137 0.172 -5.926 1.00 0.00 N ATOM 993 CA GLY B 21 -6.044 0.503 -7.041 1.00 0.00 C ATOM 994 C GLY B 21 -5.638 1.786 -7.775 1.00 0.00 C ATOM 995 O GLY B 21 -5.495 1.793 -8.998 1.00 0.00 O ATOM 0 H GLY B 21 -5.292 0.747 -5.098 1.00 0.00 H new ATOM 0 HA2 GLY B 21 -6.060 -0.326 -7.749 1.00 0.00 H new ATOM 0 HA3 GLY B 21 -7.058 0.614 -6.658 1.00 0.00 H new ATOM 999 N GLY B 22 -5.403 2.850 -7.003 1.00 0.00 N ATOM 1000 CA GLY B 22 -4.876 4.143 -7.444 1.00 0.00 C ATOM 1001 C GLY B 22 -5.868 5.303 -7.301 1.00 0.00 C ATOM 1002 O GLY B 22 -6.132 6.000 -8.283 1.00 0.00 O ATOM 0 H GLY B 22 -5.585 2.831 -6.000 1.00 0.00 H new ATOM 0 HA2 GLY B 22 -3.979 4.373 -6.869 1.00 0.00 H new ATOM 0 HA3 GLY B 22 -4.574 4.063 -8.488 1.00 0.00 H new ATOM 1006 N LYS B 23 -6.435 5.509 -6.102 1.00 0.00 N ATOM 1007 CA LYS B 23 -7.587 6.420 -5.883 1.00 0.00 C ATOM 1008 C LYS B 23 -7.235 7.907 -5.703 1.00 0.00 C ATOM 1009 O LYS B 23 -8.017 8.774 -6.095 1.00 0.00 O ATOM 1010 CB LYS B 23 -8.452 5.931 -4.706 1.00 0.00 C ATOM 1011 CG LYS B 23 -8.901 4.465 -4.840 1.00 0.00 C ATOM 1012 CD LYS B 23 -10.114 4.118 -3.960 1.00 0.00 C ATOM 1013 CE LYS B 23 -9.907 4.458 -2.477 1.00 0.00 C ATOM 1014 NZ LYS B 23 -11.069 4.039 -1.651 1.00 0.00 N ATOM 0 H LYS B 23 -6.112 5.051 -5.250 1.00 0.00 H new ATOM 0 HA LYS B 23 -8.150 6.375 -6.815 1.00 0.00 H new ATOM 0 HB2 LYS B 23 -7.889 6.047 -3.780 1.00 0.00 H new ATOM 0 HB3 LYS B 23 -9.334 6.567 -4.625 1.00 0.00 H new ATOM 0 HG2 LYS B 23 -9.147 4.261 -5.882 1.00 0.00 H new ATOM 0 HG3 LYS B 23 -8.070 3.812 -4.575 1.00 0.00 H new ATOM 0 HD2 LYS B 23 -10.988 4.655 -4.330 1.00 0.00 H new ATOM 0 HD3 LYS B 23 -10.330 3.054 -4.055 1.00 0.00 H new ATOM 0 HE2 LYS B 23 -9.005 3.966 -2.113 1.00 0.00 H new ATOM 0 HE3 LYS B 23 -9.751 5.531 -2.368 1.00 0.00 H new ATOM 0 HZ1 LYS B 23 -10.894 4.284 -0.656 1.00 0.00 H new ATOM 0 HZ2 LYS B 23 -11.925 4.528 -1.983 1.00 0.00 H new ATOM 0 HZ3 LYS B 23 -11.203 3.011 -1.736 1.00 0.00 H new ATOM 1028 N LEU B 24 -6.072 8.202 -5.122 1.00 0.00 N ATOM 1029 CA LEU B 24 -5.539 9.550 -4.842 1.00 0.00 C ATOM 1030 C LEU B 24 -4.006 9.517 -4.886 1.00 0.00 C ATOM 1031 O LEU B 24 -3.437 8.445 -4.702 1.00 0.00 O ATOM 1032 CB LEU B 24 -6.029 10.007 -3.451 1.00 0.00 C ATOM 1033 CG LEU B 24 -5.812 11.498 -3.126 1.00 0.00 C ATOM 1034 CD1 LEU B 24 -6.556 12.436 -4.079 1.00 0.00 C ATOM 1035 CD2 LEU B 24 -6.317 11.760 -1.710 1.00 0.00 C ATOM 0 H LEU B 24 -5.434 7.469 -4.813 1.00 0.00 H new ATOM 0 HA LEU B 24 -5.893 10.254 -5.595 1.00 0.00 H new ATOM 0 HB2 LEU B 24 -7.093 9.787 -3.370 1.00 0.00 H new ATOM 0 HB3 LEU B 24 -5.522 9.411 -2.693 1.00 0.00 H new ATOM 0 HG LEU B 24 -4.746 11.701 -3.231 1.00 0.00 H new ATOM 0 HD11 LEU B 24 -6.362 13.471 -3.796 1.00 0.00 H new ATOM 0 HD12 LEU B 24 -6.210 12.268 -5.099 1.00 0.00 H new ATOM 0 HD13 LEU B 24 -7.626 12.239 -4.022 1.00 0.00 H new ATOM 0 HD21 LEU B 24 -6.172 12.811 -1.461 1.00 0.00 H new ATOM 0 HD22 LEU B 24 -7.378 11.516 -1.651 1.00 0.00 H new ATOM 0 HD23 LEU B 24 -5.762 11.140 -1.005 1.00 0.00 H new ATOM 1047 N VAL B 25 -3.335 10.652 -5.097 1.00 0.00 N ATOM 1048 CA VAL B 25 -1.863 10.727 -5.192 1.00 0.00 C ATOM 1049 C VAL B 25 -1.187 10.937 -3.833 1.00 0.00 C ATOM 1050 O VAL B 25 -1.589 11.772 -3.020 1.00 0.00 O ATOM 1051 CB VAL B 25 -1.410 11.810 -6.193 1.00 0.00 C ATOM 1052 CG1 VAL B 25 0.092 12.115 -6.101 1.00 0.00 C ATOM 1053 CG2 VAL B 25 -1.705 11.346 -7.623 1.00 0.00 C ATOM 0 H VAL B 25 -3.795 11.555 -5.208 1.00 0.00 H new ATOM 0 HA VAL B 25 -1.540 9.755 -5.565 1.00 0.00 H new ATOM 0 HB VAL B 25 -1.962 12.715 -5.941 1.00 0.00 H new ATOM 0 HG11 VAL B 25 0.352 12.884 -6.828 1.00 0.00 H new ATOM 0 HG12 VAL B 25 0.331 12.469 -5.098 1.00 0.00 H new ATOM 0 HG13 VAL B 25 0.661 11.209 -6.311 1.00 0.00 H new ATOM 0 HG21 VAL B 25 -1.384 12.113 -8.328 1.00 0.00 H new ATOM 0 HG22 VAL B 25 -1.166 10.420 -7.824 1.00 0.00 H new ATOM 0 HG23 VAL B 25 -2.775 11.174 -7.736 1.00 0.00 H new ATOM 1063 N LEU B 26 -0.132 10.151 -3.626 1.00 0.00 N ATOM 1064 CA LEU B 26 0.791 10.153 -2.494 1.00 0.00 C ATOM 1065 C LEU B 26 2.251 10.138 -2.980 1.00 0.00 C ATOM 1066 O LEU B 26 2.549 9.735 -4.103 1.00 0.00 O ATOM 1067 CB LEU B 26 0.463 8.994 -1.529 1.00 0.00 C ATOM 1068 CG LEU B 26 -0.808 9.253 -0.687 1.00 0.00 C ATOM 1069 CD1 LEU B 26 -2.105 8.804 -1.373 1.00 0.00 C ATOM 1070 CD2 LEU B 26 -0.776 8.478 0.621 1.00 0.00 C ATOM 0 H LEU B 26 0.120 9.434 -4.306 1.00 0.00 H new ATOM 0 HA LEU B 26 0.665 11.077 -1.930 1.00 0.00 H new ATOM 0 HB2 LEU B 26 0.332 8.076 -2.103 1.00 0.00 H new ATOM 0 HB3 LEU B 26 1.309 8.834 -0.861 1.00 0.00 H new ATOM 0 HG LEU B 26 -0.805 10.333 -0.541 1.00 0.00 H new ATOM 0 HD11 LEU B 26 -2.953 9.018 -0.723 1.00 0.00 H new ATOM 0 HD12 LEU B 26 -2.224 9.342 -2.313 1.00 0.00 H new ATOM 0 HD13 LEU B 26 -2.060 7.733 -1.571 1.00 0.00 H new ATOM 0 HD21 LEU B 26 -1.684 8.683 1.188 1.00 0.00 H new ATOM 0 HD22 LEU B 26 -0.713 7.410 0.410 1.00 0.00 H new ATOM 0 HD23 LEU B 26 0.093 8.784 1.204 1.00 0.00 H new ATOM 1082 N SER B 27 3.189 10.587 -2.145 1.00 0.00 N ATOM 1083 CA SER B 27 4.633 10.394 -2.356 1.00 0.00 C ATOM 1084 C SER B 27 5.105 9.161 -1.578 1.00 0.00 C ATOM 1085 O SER B 27 4.292 8.459 -0.973 1.00 0.00 O ATOM 1086 CB SER B 27 5.363 11.667 -1.915 1.00 0.00 C ATOM 1087 OG SER B 27 6.750 11.618 -2.208 1.00 0.00 O ATOM 0 H SER B 27 2.970 11.101 -1.292 1.00 0.00 H new ATOM 0 HA SER B 27 4.853 10.218 -3.409 1.00 0.00 H new ATOM 0 HB2 SER B 27 4.919 12.529 -2.412 1.00 0.00 H new ATOM 0 HB3 SER B 27 5.225 11.810 -0.843 1.00 0.00 H new ATOM 0 HG SER B 27 6.892 11.825 -3.155 1.00 0.00 H new ATOM 1093 N LYS B 28 6.417 8.905 -1.549 1.00 0.00 N ATOM 1094 CA LYS B 28 7.074 7.773 -0.865 1.00 0.00 C ATOM 1095 C LYS B 28 6.566 7.622 0.573 1.00 0.00 C ATOM 1096 O LYS B 28 6.170 6.533 1.016 1.00 0.00 O ATOM 1097 CB LYS B 28 8.600 8.028 -0.900 1.00 0.00 C ATOM 1098 CG LYS B 28 9.409 6.725 -0.961 1.00 0.00 C ATOM 1099 CD LYS B 28 10.870 6.879 -0.510 1.00 0.00 C ATOM 1100 CE LYS B 28 11.666 7.868 -1.372 1.00 0.00 C ATOM 1101 NZ LYS B 28 13.091 7.931 -0.944 1.00 0.00 N ATOM 0 H LYS B 28 7.088 9.509 -2.024 1.00 0.00 H new ATOM 0 HA LYS B 28 6.839 6.838 -1.373 1.00 0.00 H new ATOM 0 HB2 LYS B 28 8.843 8.644 -1.766 1.00 0.00 H new ATOM 0 HB3 LYS B 28 8.892 8.593 -0.015 1.00 0.00 H new ATOM 0 HG2 LYS B 28 8.923 5.977 -0.335 1.00 0.00 H new ATOM 0 HG3 LYS B 28 9.392 6.346 -1.983 1.00 0.00 H new ATOM 0 HD2 LYS B 28 10.890 7.213 0.527 1.00 0.00 H new ATOM 0 HD3 LYS B 28 11.358 5.905 -0.541 1.00 0.00 H new ATOM 0 HE2 LYS B 28 11.611 7.568 -2.419 1.00 0.00 H new ATOM 0 HE3 LYS B 28 11.218 8.859 -1.300 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 13.563 8.723 -1.425 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 13.138 8.073 0.085 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 13.568 7.041 -1.193 1.00 0.00 H new ATOM 1115 N GLU B 29 6.510 8.762 1.263 1.00 0.00 N ATOM 1116 CA GLU B 29 6.146 8.827 2.675 1.00 0.00 C ATOM 1117 C GLU B 29 4.636 8.655 2.868 1.00 0.00 C ATOM 1118 O GLU B 29 4.198 7.964 3.790 1.00 0.00 O ATOM 1119 CB GLU B 29 6.658 10.125 3.312 1.00 0.00 C ATOM 1120 CG GLU B 29 8.191 10.185 3.350 1.00 0.00 C ATOM 1121 CD GLU B 29 8.685 11.420 4.128 1.00 0.00 C ATOM 1122 OE1 GLU B 29 8.712 11.382 5.383 1.00 0.00 O ATOM 1123 OE2 GLU B 29 9.068 12.432 3.492 1.00 0.00 O ATOM 0 H GLU B 29 6.718 9.672 0.852 1.00 0.00 H new ATOM 0 HA GLU B 29 6.631 7.997 3.188 1.00 0.00 H new ATOM 0 HB2 GLU B 29 6.276 10.978 2.751 1.00 0.00 H new ATOM 0 HB3 GLU B 29 6.267 10.209 4.326 1.00 0.00 H new ATOM 0 HG2 GLU B 29 8.581 9.280 3.815 1.00 0.00 H new ATOM 0 HG3 GLU B 29 8.581 10.214 2.333 1.00 0.00 H new ATOM 1130 N GLY B 30 3.823 9.199 1.955 1.00 0.00 N ATOM 1131 CA GLY B 30 2.394 8.953 1.962 1.00 0.00 C ATOM 1132 C GLY B 30 2.063 7.478 1.721 1.00 0.00 C ATOM 1133 O GLY B 30 1.267 6.913 2.467 1.00 0.00 O ATOM 0 H GLY B 30 4.140 9.812 1.204 1.00 0.00 H new ATOM 0 HA2 GLY B 30 1.977 9.266 2.919 1.00 0.00 H new ATOM 0 HA3 GLY B 30 1.918 9.561 1.193 1.00 0.00 H new ATOM 1137 N ALA B 31 2.699 6.820 0.745 1.00 0.00 N ATOM 1138 CA ALA B 31 2.420 5.418 0.442 1.00 0.00 C ATOM 1139 C ALA B 31 2.788 4.538 1.649 1.00 0.00 C ATOM 1140 O ALA B 31 2.002 3.679 2.071 1.00 0.00 O ATOM 1141 CB ALA B 31 3.162 5.010 -0.842 1.00 0.00 C ATOM 0 H ALA B 31 3.413 7.241 0.151 1.00 0.00 H new ATOM 0 HA ALA B 31 1.355 5.275 0.259 1.00 0.00 H new ATOM 0 HB1 ALA B 31 2.953 3.964 -1.066 1.00 0.00 H new ATOM 0 HB2 ALA B 31 2.825 5.633 -1.670 1.00 0.00 H new ATOM 0 HB3 ALA B 31 4.235 5.143 -0.700 1.00 0.00 H new ATOM 1147 N GLU B 32 3.947 4.795 2.272 1.00 0.00 N ATOM 1148 CA GLU B 32 4.254 4.039 3.503 1.00 0.00 C ATOM 1149 C GLU B 32 3.310 4.381 4.680 1.00 0.00 C ATOM 1150 O GLU B 32 3.025 3.522 5.521 1.00 0.00 O ATOM 1151 CB GLU B 32 5.717 4.108 3.917 1.00 0.00 C ATOM 1152 CG GLU B 32 6.141 5.451 4.500 1.00 0.00 C ATOM 1153 CD GLU B 32 7.566 5.388 5.083 1.00 0.00 C ATOM 1154 OE1 GLU B 32 8.550 5.417 4.303 1.00 0.00 O ATOM 1155 OE2 GLU B 32 7.712 5.305 6.327 1.00 0.00 O ATOM 0 H GLU B 32 4.648 5.473 1.973 1.00 0.00 H new ATOM 0 HA GLU B 32 4.063 2.999 3.237 1.00 0.00 H new ATOM 0 HB2 GLU B 32 5.911 3.328 4.653 1.00 0.00 H new ATOM 0 HB3 GLU B 32 6.339 3.889 3.049 1.00 0.00 H new ATOM 0 HG2 GLU B 32 6.097 6.216 3.725 1.00 0.00 H new ATOM 0 HG3 GLU B 32 5.440 5.748 5.280 1.00 0.00 H new ATOM 1162 N GLN B 33 2.774 5.610 4.740 1.00 0.00 N ATOM 1163 CA GLN B 33 1.761 5.957 5.743 1.00 0.00 C ATOM 1164 C GLN B 33 0.452 5.181 5.512 1.00 0.00 C ATOM 1165 O GLN B 33 -0.179 4.724 6.470 1.00 0.00 O ATOM 1166 CB GLN B 33 1.548 7.481 5.789 1.00 0.00 C ATOM 1167 CG GLN B 33 0.789 7.948 7.043 1.00 0.00 C ATOM 1168 CD GLN B 33 1.587 7.733 8.329 1.00 0.00 C ATOM 1169 OE1 GLN B 33 1.373 6.793 9.083 1.00 0.00 O ATOM 1170 NE2 GLN B 33 2.549 8.582 8.629 1.00 0.00 N ATOM 0 H GLN B 33 3.024 6.373 4.111 1.00 0.00 H new ATOM 0 HA GLN B 33 2.125 5.653 6.724 1.00 0.00 H new ATOM 0 HB2 GLN B 33 2.517 7.978 5.752 1.00 0.00 H new ATOM 0 HB3 GLN B 33 0.997 7.792 4.901 1.00 0.00 H new ATOM 0 HG2 GLN B 33 0.547 9.006 6.943 1.00 0.00 H new ATOM 0 HG3 GLN B 33 -0.156 7.410 7.112 1.00 0.00 H new ATOM 0 HE21 GLN B 33 2.743 9.372 8.013 1.00 0.00 H new ATOM 0 HE22 GLN B 33 3.100 8.449 9.477 1.00 0.00 H new ATOM 1179 N ILE B 34 0.093 4.916 4.248 1.00 0.00 N ATOM 1180 CA ILE B 34 -0.971 3.951 3.938 1.00 0.00 C ATOM 1181 C ILE B 34 -0.576 2.564 4.440 1.00 0.00 C ATOM 1182 O ILE B 34 -1.427 1.902 5.014 1.00 0.00 O ATOM 1183 CB ILE B 34 -1.363 3.885 2.452 1.00 0.00 C ATOM 1184 CG1 ILE B 34 -1.805 5.267 1.947 1.00 0.00 C ATOM 1185 CG2 ILE B 34 -2.517 2.868 2.328 1.00 0.00 C ATOM 1186 CD1 ILE B 34 -1.942 5.292 0.420 1.00 0.00 C ATOM 0 H ILE B 34 0.519 5.352 3.430 1.00 0.00 H new ATOM 0 HA ILE B 34 -1.859 4.310 4.458 1.00 0.00 H new ATOM 0 HB ILE B 34 -0.512 3.576 1.845 1.00 0.00 H new ATOM 0 HG12 ILE B 34 -2.758 5.534 2.403 1.00 0.00 H new ATOM 0 HG13 ILE B 34 -1.080 6.019 2.260 1.00 0.00 H new ATOM 0 HG21 ILE B 34 -2.825 2.792 1.285 1.00 0.00 H new ATOM 0 HG22 ILE B 34 -2.181 1.892 2.679 1.00 0.00 H new ATOM 0 HG23 ILE B 34 -3.361 3.200 2.932 1.00 0.00 H new ATOM 0 HD11 ILE B 34 -2.256 6.285 0.099 1.00 0.00 H new ATOM 0 HD12 ILE B 34 -0.982 5.050 -0.035 1.00 0.00 H new ATOM 0 HD13 ILE B 34 -2.686 4.558 0.109 1.00 0.00 H new ATOM 1198 N ILE B 35 0.680 2.115 4.302 1.00 0.00 N ATOM 1199 CA ILE B 35 1.069 0.827 4.919 1.00 0.00 C ATOM 1200 C ILE B 35 0.829 0.788 6.424 1.00 0.00 C ATOM 1201 O ILE B 35 0.379 -0.235 6.940 1.00 0.00 O ATOM 1202 CB ILE B 35 2.507 0.375 4.582 1.00 0.00 C ATOM 1203 CG1 ILE B 35 2.427 -0.924 3.765 1.00 0.00 C ATOM 1204 CG2 ILE B 35 3.477 0.145 5.762 1.00 0.00 C ATOM 1205 CD1 ILE B 35 1.781 -2.138 4.432 1.00 0.00 C ATOM 0 H ILE B 35 1.421 2.597 3.792 1.00 0.00 H new ATOM 0 HA ILE B 35 0.399 0.103 4.457 1.00 0.00 H new ATOM 0 HB ILE B 35 2.934 1.219 4.040 1.00 0.00 H new ATOM 0 HG12 ILE B 35 1.877 -0.711 2.848 1.00 0.00 H new ATOM 0 HG13 ILE B 35 3.440 -1.200 3.472 1.00 0.00 H new ATOM 0 HG21 ILE B 35 4.448 -0.169 5.379 1.00 0.00 H new ATOM 0 HG22 ILE B 35 3.591 1.071 6.325 1.00 0.00 H new ATOM 0 HG23 ILE B 35 3.077 -0.630 6.416 1.00 0.00 H new ATOM 0 HD11 ILE B 35 1.793 -2.982 3.742 1.00 0.00 H new ATOM 0 HD12 ILE B 35 2.338 -2.398 5.332 1.00 0.00 H new ATOM 0 HD13 ILE B 35 0.751 -1.902 4.698 1.00 0.00 H new ATOM 1217 N SER B 36 1.075 1.900 7.114 1.00 0.00 N ATOM 1218 CA SER B 36 0.771 2.008 8.541 1.00 0.00 C ATOM 1219 C SER B 36 -0.735 1.840 8.767 1.00 0.00 C ATOM 1220 O SER B 36 -1.134 1.011 9.587 1.00 0.00 O ATOM 1221 CB SER B 36 1.280 3.337 9.107 1.00 0.00 C ATOM 1222 OG SER B 36 1.260 3.305 10.524 1.00 0.00 O ATOM 0 H SER B 36 1.485 2.741 6.708 1.00 0.00 H new ATOM 0 HA SER B 36 1.287 1.210 9.075 1.00 0.00 H new ATOM 0 HB2 SER B 36 2.294 3.526 8.754 1.00 0.00 H new ATOM 0 HB3 SER B 36 0.659 4.156 8.746 1.00 0.00 H new ATOM 0 HG SER B 36 1.589 4.159 10.875 1.00 0.00 H new ATOM 1228 N GLU B 37 -1.581 2.504 7.967 1.00 0.00 N ATOM 1229 CA GLU B 37 -3.039 2.325 8.051 1.00 0.00 C ATOM 1230 C GLU B 37 -3.474 0.885 7.711 1.00 0.00 C ATOM 1231 O GLU B 37 -4.246 0.278 8.452 1.00 0.00 O ATOM 1232 CB GLU B 37 -3.765 3.333 7.142 1.00 0.00 C ATOM 1233 CG GLU B 37 -3.626 4.796 7.589 1.00 0.00 C ATOM 1234 CD GLU B 37 -4.401 5.075 8.892 1.00 0.00 C ATOM 1235 OE1 GLU B 37 -5.623 5.349 8.827 1.00 0.00 O ATOM 1236 OE2 GLU B 37 -3.794 5.031 9.990 1.00 0.00 O ATOM 0 H GLU B 37 -1.282 3.170 7.254 1.00 0.00 H new ATOM 0 HA GLU B 37 -3.322 2.513 9.087 1.00 0.00 H new ATOM 0 HB2 GLU B 37 -3.377 3.236 6.128 1.00 0.00 H new ATOM 0 HB3 GLU B 37 -4.823 3.075 7.104 1.00 0.00 H new ATOM 0 HG2 GLU B 37 -2.572 5.032 7.736 1.00 0.00 H new ATOM 0 HG3 GLU B 37 -3.993 5.453 6.800 1.00 0.00 H new ATOM 1243 N ILE B 38 -2.947 0.300 6.632 1.00 0.00 N ATOM 1244 CA ILE B 38 -3.289 -1.047 6.149 1.00 0.00 C ATOM 1245 C ILE B 38 -2.907 -2.124 7.178 1.00 0.00 C ATOM 1246 O ILE B 38 -3.766 -2.866 7.674 1.00 0.00 O ATOM 1247 CB ILE B 38 -2.646 -1.226 4.745 1.00 0.00 C ATOM 1248 CG1 ILE B 38 -3.534 -0.511 3.696 1.00 0.00 C ATOM 1249 CG2 ILE B 38 -2.399 -2.670 4.341 1.00 0.00 C ATOM 1250 CD1 ILE B 38 -3.065 -0.634 2.237 1.00 0.00 C ATOM 0 H ILE B 38 -2.248 0.762 6.050 1.00 0.00 H new ATOM 0 HA ILE B 38 -4.366 -1.167 6.035 1.00 0.00 H new ATOM 0 HB ILE B 38 -1.654 -0.776 4.793 1.00 0.00 H new ATOM 0 HG12 ILE B 38 -4.545 -0.911 3.769 1.00 0.00 H new ATOM 0 HG13 ILE B 38 -3.590 0.547 3.953 1.00 0.00 H new ATOM 0 HG21 ILE B 38 -1.949 -2.698 3.349 1.00 0.00 H new ATOM 0 HG22 ILE B 38 -1.725 -3.138 5.059 1.00 0.00 H new ATOM 0 HG23 ILE B 38 -3.345 -3.211 4.326 1.00 0.00 H new ATOM 0 HD11 ILE B 38 -3.756 -0.098 1.586 1.00 0.00 H new ATOM 0 HD12 ILE B 38 -2.068 -0.206 2.138 1.00 0.00 H new ATOM 0 HD13 ILE B 38 -3.038 -1.685 1.951 1.00 0.00 H new ATOM 1262 N GLN B 39 -1.642 -2.157 7.596 1.00 0.00 N ATOM 1263 CA GLN B 39 -1.181 -3.101 8.614 1.00 0.00 C ATOM 1264 C GLN B 39 -1.908 -2.885 9.952 1.00 0.00 C ATOM 1265 O GLN B 39 -2.215 -3.855 10.648 1.00 0.00 O ATOM 1266 CB GLN B 39 0.335 -2.991 8.804 1.00 0.00 C ATOM 1267 CG GLN B 39 1.165 -3.651 7.684 1.00 0.00 C ATOM 1268 CD GLN B 39 2.577 -4.038 8.131 1.00 0.00 C ATOM 1269 OE1 GLN B 39 3.200 -3.418 8.983 1.00 0.00 O ATOM 1270 NE2 GLN B 39 3.122 -5.092 7.569 1.00 0.00 N ATOM 0 H GLN B 39 -0.914 -1.536 7.243 1.00 0.00 H new ATOM 0 HA GLN B 39 -1.418 -4.106 8.265 1.00 0.00 H new ATOM 0 HB2 GLN B 39 0.606 -1.937 8.868 1.00 0.00 H new ATOM 0 HB3 GLN B 39 0.604 -3.447 9.757 1.00 0.00 H new ATOM 0 HG2 GLN B 39 0.645 -4.542 7.332 1.00 0.00 H new ATOM 0 HG3 GLN B 39 1.233 -2.966 6.839 1.00 0.00 H new ATOM 0 HE21 GLN B 39 2.609 -5.614 6.858 1.00 0.00 H new ATOM 0 HE22 GLN B 39 4.058 -5.389 7.843 1.00 0.00 H new ATOM 1279 N ASN B 40 -2.266 -1.637 10.275 1.00 0.00 N ATOM 1280 CA ASN B 40 -3.133 -1.341 11.419 1.00 0.00 C ATOM 1281 C ASN B 40 -4.580 -1.843 11.236 1.00 0.00 C ATOM 1282 O ASN B 40 -5.197 -2.240 12.223 1.00 0.00 O ATOM 1283 CB ASN B 40 -3.091 0.161 11.734 1.00 0.00 C ATOM 1284 CG ASN B 40 -3.977 0.505 12.920 1.00 0.00 C ATOM 1285 OD1 ASN B 40 -3.676 0.184 14.062 1.00 0.00 O ATOM 1286 ND2 ASN B 40 -5.107 1.129 12.682 1.00 0.00 N ATOM 0 H ASN B 40 -1.966 -0.812 9.756 1.00 0.00 H new ATOM 0 HA ASN B 40 -2.741 -1.895 12.272 1.00 0.00 H new ATOM 0 HB2 ASN B 40 -2.065 0.461 11.946 1.00 0.00 H new ATOM 0 HB3 ASN B 40 -3.415 0.727 10.860 1.00 0.00 H new ATOM 0 HD21 ASN B 40 -5.740 1.349 13.451 1.00 0.00 H new ATOM 0 HD22 ASN B 40 -5.352 1.394 11.728 1.00 0.00 H new ATOM 1293 N GLN B 41 -5.132 -1.902 10.019 1.00 0.00 N ATOM 1294 CA GLN B 41 -6.461 -2.482 9.804 1.00 0.00 C ATOM 1295 C GLN B 41 -6.436 -4.009 9.935 1.00 0.00 C ATOM 1296 O GLN B 41 -7.398 -4.571 10.457 1.00 0.00 O ATOM 1297 CB GLN B 41 -7.102 -2.027 8.484 1.00 0.00 C ATOM 1298 CG GLN B 41 -7.516 -0.546 8.516 1.00 0.00 C ATOM 1299 CD GLN B 41 -8.752 -0.278 7.659 1.00 0.00 C ATOM 1300 OE1 GLN B 41 -8.679 -0.078 6.453 1.00 0.00 O ATOM 1301 NE2 GLN B 41 -9.935 -0.280 8.240 1.00 0.00 N ATOM 0 H GLN B 41 -4.681 -1.557 9.172 1.00 0.00 H new ATOM 0 HA GLN B 41 -7.101 -2.097 10.598 1.00 0.00 H new ATOM 0 HB2 GLN B 41 -6.399 -2.188 7.667 1.00 0.00 H new ATOM 0 HB3 GLN B 41 -7.978 -2.642 8.277 1.00 0.00 H new ATOM 0 HG2 GLN B 41 -7.717 -0.248 9.545 1.00 0.00 H new ATOM 0 HG3 GLN B 41 -6.689 0.069 8.162 1.00 0.00 H new ATOM 0 HE21 GLN B 41 -10.010 -0.445 9.244 1.00 0.00 H new ATOM 0 HE22 GLN B 41 -10.776 -0.116 7.686 1.00 0.00 H new ATOM 1310 N LEU B 42 -5.329 -4.684 9.592 1.00 0.00 N ATOM 1311 CA LEU B 42 -5.199 -6.103 9.986 1.00 0.00 C ATOM 1312 C LEU B 42 -5.042 -6.286 11.507 1.00 0.00 C ATOM 1313 O LEU B 42 -5.655 -7.179 12.092 1.00 0.00 O ATOM 1314 CB LEU B 42 -4.096 -6.796 9.177 1.00 0.00 C ATOM 1315 CG LEU B 42 -4.112 -8.344 9.281 1.00 0.00 C ATOM 1316 CD1 LEU B 42 -3.644 -8.963 7.968 1.00 0.00 C ATOM 1317 CD2 LEU B 42 -3.168 -8.848 10.377 1.00 0.00 C ATOM 0 H LEU B 42 -4.543 -4.298 9.068 1.00 0.00 H new ATOM 0 HA LEU B 42 -6.137 -6.600 9.738 1.00 0.00 H new ATOM 0 HB2 LEU B 42 -4.196 -6.512 8.129 1.00 0.00 H new ATOM 0 HB3 LEU B 42 -3.127 -6.430 9.516 1.00 0.00 H new ATOM 0 HG LEU B 42 -5.137 -8.633 9.514 1.00 0.00 H new ATOM 0 HD11 LEU B 42 -3.659 -10.050 8.052 1.00 0.00 H new ATOM 0 HD12 LEU B 42 -4.309 -8.652 7.162 1.00 0.00 H new ATOM 0 HD13 LEU B 42 -2.629 -8.630 7.750 1.00 0.00 H new ATOM 0 HD21 LEU B 42 -3.207 -9.936 10.419 1.00 0.00 H new ATOM 0 HD22 LEU B 42 -2.149 -8.530 10.155 1.00 0.00 H new ATOM 0 HD23 LEU B 42 -3.475 -8.437 11.339 1.00 0.00 H new ATOM 1329 N GLN B 43 -4.254 -5.427 12.159 1.00 0.00 N ATOM 1330 CA GLN B 43 -3.918 -5.543 13.587 1.00 0.00 C ATOM 1331 C GLN B 43 -5.065 -5.146 14.543 1.00 0.00 C ATOM 1332 O GLN B 43 -5.232 -5.768 15.594 1.00 0.00 O ATOM 1333 CB GLN B 43 -2.659 -4.698 13.836 1.00 0.00 C ATOM 1334 CG GLN B 43 -2.045 -4.893 15.230 1.00 0.00 C ATOM 1335 CD GLN B 43 -0.706 -4.168 15.341 1.00 0.00 C ATOM 1336 OE1 GLN B 43 0.324 -4.653 14.888 1.00 0.00 O ATOM 1337 NE2 GLN B 43 -0.663 -2.977 15.898 1.00 0.00 N ATOM 0 H GLN B 43 -3.824 -4.620 11.707 1.00 0.00 H new ATOM 0 HA GLN B 43 -3.738 -6.594 13.812 1.00 0.00 H new ATOM 0 HB2 GLN B 43 -1.912 -4.946 13.082 1.00 0.00 H new ATOM 0 HB3 GLN B 43 -2.908 -3.645 13.703 1.00 0.00 H new ATOM 0 HG2 GLN B 43 -2.731 -4.518 15.990 1.00 0.00 H new ATOM 0 HG3 GLN B 43 -1.905 -5.956 15.425 1.00 0.00 H new ATOM 0 HE21 GLN B 43 -1.513 -2.561 16.279 1.00 0.00 H new ATOM 0 HE22 GLN B 43 0.220 -2.469 15.949 1.00 0.00 H new ATOM 1346 N ASN B 44 -5.838 -4.109 14.201 1.00 0.00 N ATOM 1347 CA ASN B 44 -6.779 -3.421 15.101 1.00 0.00 C ATOM 1348 C ASN B 44 -8.112 -3.003 14.435 1.00 0.00 C ATOM 1349 O ASN B 44 -9.003 -2.495 15.120 1.00 0.00 O ATOM 1350 CB ASN B 44 -6.032 -2.195 15.665 1.00 0.00 C ATOM 1351 CG ASN B 44 -6.709 -1.584 16.881 1.00 0.00 C ATOM 1352 OD1 ASN B 44 -6.850 -2.214 17.921 1.00 0.00 O ATOM 1353 ND2 ASN B 44 -7.143 -0.348 16.810 1.00 0.00 N ATOM 0 H ASN B 44 -5.828 -3.711 13.262 1.00 0.00 H new ATOM 0 HA ASN B 44 -7.083 -4.115 15.885 1.00 0.00 H new ATOM 0 HB2 ASN B 44 -5.017 -2.488 15.932 1.00 0.00 H new ATOM 0 HB3 ASN B 44 -5.950 -1.438 14.885 1.00 0.00 H new ATOM 0 HD21 ASN B 44 -7.594 0.081 17.618 1.00 0.00 H new ATOM 0 HD22 ASN B 44 -7.029 0.184 15.947 1.00 0.00 H new ATOM 1360 N LEU B 45 -8.258 -3.182 13.114 1.00 0.00 N ATOM 1361 CA LEU B 45 -9.362 -2.724 12.241 1.00 0.00 C ATOM 1362 C LEU B 45 -9.578 -1.195 12.144 1.00 0.00 C ATOM 1363 O LEU B 45 -10.059 -0.719 11.113 1.00 0.00 O ATOM 1364 CB LEU B 45 -10.644 -3.516 12.582 1.00 0.00 C ATOM 1365 CG LEU B 45 -11.812 -3.360 11.588 1.00 0.00 C ATOM 1366 CD1 LEU B 45 -11.458 -3.824 10.172 1.00 0.00 C ATOM 1367 CD2 LEU B 45 -13.002 -4.191 12.072 1.00 0.00 C ATOM 0 H LEU B 45 -7.553 -3.691 12.580 1.00 0.00 H new ATOM 0 HA LEU B 45 -9.057 -2.951 11.220 1.00 0.00 H new ATOM 0 HB2 LEU B 45 -10.388 -4.573 12.650 1.00 0.00 H new ATOM 0 HB3 LEU B 45 -10.988 -3.207 13.569 1.00 0.00 H new ATOM 0 HG LEU B 45 -12.049 -2.297 11.547 1.00 0.00 H new ATOM 0 HD11 LEU B 45 -12.320 -3.689 9.519 1.00 0.00 H new ATOM 0 HD12 LEU B 45 -10.622 -3.236 9.795 1.00 0.00 H new ATOM 0 HD13 LEU B 45 -11.180 -4.878 10.193 1.00 0.00 H new ATOM 0 HD21 LEU B 45 -13.830 -4.083 11.371 1.00 0.00 H new ATOM 0 HD22 LEU B 45 -12.712 -5.240 12.133 1.00 0.00 H new ATOM 0 HD23 LEU B 45 -13.312 -3.843 13.057 1.00 0.00 H new ATOM 1379 N LYS B 46 -9.192 -0.425 13.167 1.00 0.00 N ATOM 1380 CA LYS B 46 -9.435 1.020 13.331 1.00 0.00 C ATOM 1381 C LYS B 46 -8.200 1.787 13.830 1.00 0.00 C ATOM 1382 O LYS B 46 -8.124 3.008 13.575 1.00 0.00 O ATOM 1383 CB LYS B 46 -10.655 1.205 14.253 1.00 0.00 C ATOM 1384 CG LYS B 46 -10.363 0.851 15.725 1.00 0.00 C ATOM 1385 CD LYS B 46 -11.628 0.546 16.542 1.00 0.00 C ATOM 1386 CE LYS B 46 -12.274 -0.806 16.188 1.00 0.00 C ATOM 1387 NZ LYS B 46 -11.427 -1.966 16.585 1.00 0.00 N ATOM 1388 OXT LYS B 46 -7.308 1.161 14.450 1.00 0.00 O ATOM 0 H LYS B 46 -8.670 -0.813 13.952 1.00 0.00 H new ATOM 0 HA LYS B 46 -9.647 1.454 12.354 1.00 0.00 H new ATOM 0 HB2 LYS B 46 -10.993 2.240 14.195 1.00 0.00 H new ATOM 0 HB3 LYS B 46 -11.473 0.582 13.892 1.00 0.00 H new ATOM 0 HG2 LYS B 46 -9.701 -0.014 15.758 1.00 0.00 H new ATOM 0 HG3 LYS B 46 -9.829 1.679 16.191 1.00 0.00 H new ATOM 0 HD2 LYS B 46 -11.377 0.554 17.603 1.00 0.00 H new ATOM 0 HD3 LYS B 46 -12.356 1.341 16.381 1.00 0.00 H new ATOM 0 HE2 LYS B 46 -13.243 -0.882 16.682 1.00 0.00 H new ATOM 0 HE3 LYS B 46 -12.459 -0.846 15.115 1.00 0.00 H new ATOM 0 HZ1 LYS B 46 -11.978 -2.844 16.499 1.00 0.00 H new ATOM 0 HZ2 LYS B 46 -10.595 -2.017 15.963 1.00 0.00 H new ATOM 0 HZ3 LYS B 46 -11.116 -1.848 17.570 1.00 0.00 H new TER 1402 LYS B 46