USER MOD reduce.3.24.130724 H: found=0, std=0, add=785, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 785 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 39 ASN : amide:sc= 0.033 K(o=1.2,f=-6.2!) USER MOD Set 1.2: A 80 LYS NZ :NH3+ -133:sc= 1.19 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ -125:sc= 0.0783 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= -0.521 USER MOD Single : A 7 ASN : amide:sc= 0.00126 K(o=0.0013,f=-1.2) USER MOD Single : A 10 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0513) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 159:sc= 0.94 (180deg=0.65) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 ASN : amide:sc=-0.000932 X(o=-0.00093,f=0) USER MOD Single : A 23 GLN :FLIP amide:sc= -0.379 F(o=-1.2,f=-0.38) USER MOD Single : A 27 MET CE :methyl -168:sc= -0.055 (180deg=-0.29) USER MOD Single : A 32 TYR OH : rot 35:sc= 0.00609 USER MOD Single : A 33 ASN : amide:sc= 0.841 K(o=0.84,f=0) USER MOD Single : A 38 LYS NZ :NH3+ -103:sc= 0.577 (180deg=-0.592) USER MOD Single : A 40 LYS NZ :NH3+ 167:sc= 0.308 (180deg=0.2) USER MOD Single : A 41 MET CE :methyl 131:sc= -0.921 (180deg=-2.54!) USER MOD Single : A 43 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0211) USER MOD Single : A 45 LYS NZ :NH3+ 169:sc=-0.00466 (180deg=-0.138) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 137:sc= 0.832 (180deg=0.00141) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 HIS : no HD1:sc= -0.0214 X(o=-0.021,f=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 175:sc= 0.127 (180deg=0.0909) USER MOD Single : A 73 SER OG : rot -113:sc= 1.22 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 GLN : amide:sc= -0.073 X(o=-0.073,f=-0.26) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 GLN : amide:sc= 0 K(o=0,f=-0.84) USER MOD Single : A 93 LYS NZ :NH3+ 172:sc=-0.00249 (180deg=-0.0709) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -11.572 -9.367 9.961 1.00 2.41 N ATOM 2 CA GLY A 1 -12.009 -10.776 9.752 1.00 3.04 C ATOM 3 C GLY A 1 -12.151 -11.130 8.280 1.00 53.24 C ATOM 4 O GLY A 1 -11.871 -10.297 7.414 1.00 14.33 O ATOM 0 H1 GLY A 1 -10.714 -9.353 10.549 1.00 2.41 H new ATOM 0 H2 GLY A 1 -11.369 -8.927 9.041 1.00 2.41 H new ATOM 0 H3 GLY A 1 -12.328 -8.836 10.439 1.00 2.41 H new ATOM 0 HA2 GLY A 1 -11.288 -11.449 10.216 1.00 3.04 H new ATOM 0 HA3 GLY A 1 -12.963 -10.935 10.254 1.00 3.04 H new ATOM 10 N GLY A 2 -12.578 -12.374 7.998 1.00 52.22 N ATOM 11 CA GLY A 2 -12.717 -12.856 6.619 1.00 54.44 C ATOM 12 C GLY A 2 -11.377 -13.210 5.981 1.00 53.44 C ATOM 13 O GLY A 2 -10.383 -13.434 6.694 1.00 62.33 O ATOM 0 H GLY A 2 -12.832 -13.060 8.709 1.00 52.22 H new ATOM 0 HA2 GLY A 2 -13.363 -13.734 6.609 1.00 54.44 H new ATOM 0 HA3 GLY A 2 -13.210 -12.091 6.019 1.00 54.44 H new ATOM 17 N SER A 3 -11.355 -13.278 4.642 1.00 14.22 N ATOM 18 CA SER A 3 -10.138 -13.590 3.866 1.00 1.13 C ATOM 19 C SER A 3 -9.241 -12.333 3.740 1.00 52.32 C ATOM 20 O SER A 3 -9.722 -11.213 3.940 1.00 13.43 O ATOM 21 CB SER A 3 -10.541 -14.129 2.461 1.00 3.21 C ATOM 22 OG SER A 3 -11.346 -13.205 1.740 1.00 15.20 O ATOM 0 H SER A 3 -12.179 -13.119 4.063 1.00 14.22 H new ATOM 0 HA SER A 3 -9.566 -14.358 4.386 1.00 1.13 H new ATOM 0 HB2 SER A 3 -9.641 -14.349 1.887 1.00 3.21 H new ATOM 0 HB3 SER A 3 -11.083 -15.068 2.576 1.00 3.21 H new ATOM 0 HG SER A 3 -11.574 -13.583 0.865 1.00 15.20 H new ATOM 28 N PRO A 4 -7.912 -12.489 3.427 1.00 33.13 N ATOM 29 CA PRO A 4 -7.038 -11.336 3.056 1.00 73.33 C ATOM 30 C PRO A 4 -7.607 -10.540 1.856 1.00 72.42 C ATOM 31 O PRO A 4 -7.442 -9.327 1.762 1.00 64.43 O ATOM 32 CB PRO A 4 -5.690 -12.005 2.700 1.00 2.33 C ATOM 33 CG PRO A 4 -5.705 -13.317 3.436 1.00 70.54 C ATOM 34 CD PRO A 4 -7.150 -13.768 3.453 1.00 3.11 C ATOM 0 HA PRO A 4 -6.952 -10.604 3.859 1.00 73.33 H new ATOM 0 HB2 PRO A 4 -5.595 -12.156 1.625 1.00 2.33 H new ATOM 0 HB3 PRO A 4 -4.848 -11.387 3.011 1.00 2.33 H new ATOM 0 HG2 PRO A 4 -5.073 -14.052 2.937 1.00 70.54 H new ATOM 0 HG3 PRO A 4 -5.320 -13.201 4.449 1.00 70.54 H new ATOM 0 HD2 PRO A 4 -7.386 -14.394 2.592 1.00 3.11 H new ATOM 0 HD3 PRO A 4 -7.378 -14.353 4.344 1.00 3.11 H new ATOM 42 N ASP A 5 -8.290 -11.268 0.962 1.00 43.11 N ATOM 43 CA ASP A 5 -8.999 -10.703 -0.198 1.00 1.24 C ATOM 44 C ASP A 5 -10.205 -9.838 0.253 1.00 23.11 C ATOM 45 O ASP A 5 -10.481 -8.780 -0.333 1.00 2.45 O ATOM 46 CB ASP A 5 -9.459 -11.857 -1.120 1.00 3.23 C ATOM 47 CG ASP A 5 -10.296 -11.379 -2.320 1.00 72.13 C ATOM 48 OD1 ASP A 5 -9.709 -10.870 -3.300 1.00 50.14 O ATOM 49 OD2 ASP A 5 -11.540 -11.507 -2.292 1.00 74.42 O ATOM 0 H ASP A 5 -8.368 -12.283 1.024 1.00 43.11 H new ATOM 0 HA ASP A 5 -8.322 -10.050 -0.749 1.00 1.24 H new ATOM 0 HB2 ASP A 5 -8.583 -12.391 -1.487 1.00 3.23 H new ATOM 0 HB3 ASP A 5 -10.045 -12.568 -0.537 1.00 3.23 H new ATOM 54 N GLU A 6 -10.908 -10.305 1.304 1.00 43.31 N ATOM 55 CA GLU A 6 -12.062 -9.594 1.904 1.00 61.44 C ATOM 56 C GLU A 6 -11.558 -8.281 2.545 1.00 62.32 C ATOM 57 O GLU A 6 -12.203 -7.230 2.434 1.00 12.15 O ATOM 58 CB GLU A 6 -12.768 -10.522 2.953 1.00 52.34 C ATOM 59 CG GLU A 6 -14.285 -10.278 3.174 1.00 14.52 C ATOM 60 CD GLU A 6 -14.619 -8.985 3.940 1.00 51.30 C ATOM 61 OE1 GLU A 6 -14.404 -8.947 5.166 1.00 21.21 O ATOM 62 OE2 GLU A 6 -15.113 -8.013 3.330 1.00 42.23 O ATOM 0 H GLU A 6 -10.693 -11.189 1.765 1.00 43.31 H new ATOM 0 HA GLU A 6 -12.798 -9.344 1.140 1.00 61.44 H new ATOM 0 HB2 GLU A 6 -12.629 -11.558 2.642 1.00 52.34 H new ATOM 0 HB3 GLU A 6 -12.259 -10.406 3.910 1.00 52.34 H new ATOM 0 HG2 GLU A 6 -14.780 -10.249 2.204 1.00 14.52 H new ATOM 0 HG3 GLU A 6 -14.701 -11.126 3.719 1.00 14.52 H new ATOM 69 N ASN A 7 -10.363 -8.373 3.169 1.00 62.15 N ATOM 70 CA ASN A 7 -9.645 -7.231 3.759 1.00 11.02 C ATOM 71 C ASN A 7 -9.277 -6.191 2.685 1.00 32.43 C ATOM 72 O ASN A 7 -9.465 -5.002 2.910 1.00 61.33 O ATOM 73 CB ASN A 7 -8.363 -7.719 4.488 1.00 30.24 C ATOM 74 CG ASN A 7 -8.624 -8.524 5.758 1.00 55.23 C ATOM 75 OD1 ASN A 7 -9.683 -9.114 5.946 1.00 32.20 O ATOM 76 ND2 ASN A 7 -7.632 -8.573 6.636 1.00 2.51 N ATOM 0 H ASN A 7 -9.866 -9.257 3.276 1.00 62.15 H new ATOM 0 HA ASN A 7 -10.308 -6.755 4.482 1.00 11.02 H new ATOM 0 HB2 ASN A 7 -7.779 -8.330 3.799 1.00 30.24 H new ATOM 0 HB3 ASN A 7 -7.752 -6.852 4.741 1.00 30.24 H new ATOM 0 HD21 ASN A 7 -7.738 -9.112 7.496 1.00 2.51 H new ATOM 0 HD22 ASN A 7 -6.763 -8.072 6.452 1.00 2.51 H new ATOM 83 N ILE A 8 -8.769 -6.666 1.521 1.00 61.45 N ATOM 84 CA ILE A 8 -8.397 -5.806 0.367 1.00 23.43 C ATOM 85 C ILE A 8 -9.564 -4.897 -0.042 1.00 34.02 C ATOM 86 O ILE A 8 -9.390 -3.685 -0.168 1.00 43.14 O ATOM 87 CB ILE A 8 -7.930 -6.677 -0.878 1.00 74.04 C ATOM 88 CG1 ILE A 8 -6.545 -7.325 -0.596 1.00 12.02 C ATOM 89 CG2 ILE A 8 -7.920 -5.872 -2.207 1.00 1.32 C ATOM 90 CD1 ILE A 8 -6.058 -8.304 -1.653 1.00 42.23 C ATOM 0 H ILE A 8 -8.605 -7.659 1.354 1.00 61.45 H new ATOM 0 HA ILE A 8 -7.561 -5.183 0.686 1.00 23.43 H new ATOM 0 HB ILE A 8 -8.666 -7.469 -1.011 1.00 74.04 H new ATOM 0 HG12 ILE A 8 -5.805 -6.531 -0.491 1.00 12.02 H new ATOM 0 HG13 ILE A 8 -6.593 -7.844 0.361 1.00 12.02 H new ATOM 0 HG21 ILE A 8 -7.593 -6.518 -3.021 1.00 1.32 H new ATOM 0 HG22 ILE A 8 -8.924 -5.504 -2.417 1.00 1.32 H new ATOM 0 HG23 ILE A 8 -7.236 -5.028 -2.116 1.00 1.32 H new ATOM 0 HD11 ILE A 8 -5.085 -8.699 -1.362 1.00 42.23 H new ATOM 0 HD12 ILE A 8 -6.770 -9.124 -1.745 1.00 42.23 H new ATOM 0 HD13 ILE A 8 -5.970 -7.791 -2.611 1.00 42.23 H new ATOM 102 N ALA A 9 -10.753 -5.508 -0.208 1.00 72.01 N ATOM 103 CA ALA A 9 -11.981 -4.798 -0.616 1.00 54.11 C ATOM 104 C ALA A 9 -12.443 -3.797 0.464 1.00 13.35 C ATOM 105 O ALA A 9 -13.006 -2.744 0.144 1.00 1.11 O ATOM 106 CB ALA A 9 -13.094 -5.802 -0.933 1.00 1.24 C ATOM 0 H ALA A 9 -10.889 -6.508 -0.063 1.00 72.01 H new ATOM 0 HA ALA A 9 -11.754 -4.227 -1.516 1.00 54.11 H new ATOM 0 HB1 ALA A 9 -13.994 -5.265 -1.233 1.00 1.24 H new ATOM 0 HB2 ALA A 9 -12.774 -6.455 -1.745 1.00 1.24 H new ATOM 0 HB3 ALA A 9 -13.307 -6.401 -0.048 1.00 1.24 H new ATOM 112 N LYS A 10 -12.186 -4.145 1.736 1.00 73.23 N ATOM 113 CA LYS A 10 -12.508 -3.299 2.898 1.00 53.24 C ATOM 114 C LYS A 10 -11.589 -2.050 2.941 1.00 22.24 C ATOM 115 O LYS A 10 -12.044 -0.933 3.245 1.00 53.20 O ATOM 116 CB LYS A 10 -12.367 -4.142 4.196 1.00 33.24 C ATOM 117 CG LYS A 10 -12.813 -3.423 5.484 1.00 45.40 C ATOM 118 CD LYS A 10 -12.626 -4.297 6.743 1.00 1.34 C ATOM 119 CE LYS A 10 -13.139 -3.616 8.021 1.00 34.12 C ATOM 120 NZ LYS A 10 -12.434 -2.332 8.291 1.00 41.11 N ATOM 0 H LYS A 10 -11.745 -5.029 1.989 1.00 73.23 H new ATOM 0 HA LYS A 10 -13.535 -2.944 2.814 1.00 53.24 H new ATOM 0 HB2 LYS A 10 -12.952 -5.055 4.085 1.00 33.24 H new ATOM 0 HB3 LYS A 10 -11.325 -4.442 4.306 1.00 33.24 H new ATOM 0 HG2 LYS A 10 -12.243 -2.501 5.598 1.00 45.40 H new ATOM 0 HG3 LYS A 10 -13.862 -3.140 5.394 1.00 45.40 H new ATOM 0 HD2 LYS A 10 -13.151 -5.242 6.605 1.00 1.34 H new ATOM 0 HD3 LYS A 10 -11.569 -4.534 6.862 1.00 1.34 H new ATOM 0 HE2 LYS A 10 -14.209 -3.429 7.928 1.00 34.12 H new ATOM 0 HE3 LYS A 10 -13.005 -4.288 8.869 1.00 34.12 H new ATOM 0 HZ1 LYS A 10 -12.737 -1.957 9.212 1.00 41.11 H new ATOM 0 HZ2 LYS A 10 -11.407 -2.496 8.305 1.00 41.11 H new ATOM 0 HZ3 LYS A 10 -12.665 -1.646 7.545 1.00 41.11 H new ATOM 134 N PHE A 11 -10.300 -2.261 2.619 1.00 60.43 N ATOM 135 CA PHE A 11 -9.275 -1.196 2.559 1.00 21.15 C ATOM 136 C PHE A 11 -9.439 -0.359 1.281 1.00 60.14 C ATOM 137 O PHE A 11 -9.011 0.793 1.236 1.00 41.31 O ATOM 138 CB PHE A 11 -7.837 -1.793 2.615 1.00 42.51 C ATOM 139 CG PHE A 11 -7.533 -2.655 3.842 1.00 2.44 C ATOM 140 CD1 PHE A 11 -8.024 -2.306 5.100 1.00 72.33 C ATOM 141 CD2 PHE A 11 -6.760 -3.816 3.737 1.00 50.10 C ATOM 142 CE1 PHE A 11 -7.753 -3.084 6.207 1.00 4.20 C ATOM 143 CE2 PHE A 11 -6.492 -4.593 4.850 1.00 72.30 C ATOM 144 CZ PHE A 11 -6.989 -4.228 6.082 1.00 62.43 C ATOM 0 H PHE A 11 -9.934 -3.185 2.390 1.00 60.43 H new ATOM 0 HA PHE A 11 -9.417 -0.554 3.428 1.00 21.15 H new ATOM 0 HB2 PHE A 11 -7.676 -2.394 1.720 1.00 42.51 H new ATOM 0 HB3 PHE A 11 -7.120 -0.973 2.581 1.00 42.51 H new ATOM 0 HD1 PHE A 11 -8.624 -1.415 5.209 1.00 72.33 H new ATOM 0 HD2 PHE A 11 -6.367 -4.110 2.775 1.00 50.10 H new ATOM 0 HE1 PHE A 11 -8.139 -2.798 7.174 1.00 4.20 H new ATOM 0 HE2 PHE A 11 -5.893 -5.486 4.753 1.00 72.30 H new ATOM 0 HZ PHE A 11 -6.781 -4.836 6.950 1.00 62.43 H new ATOM 154 N GLU A 12 -10.030 -0.977 0.241 1.00 74.04 N ATOM 155 CA GLU A 12 -10.296 -0.324 -1.054 1.00 33.01 C ATOM 156 C GLU A 12 -11.485 0.643 -0.883 1.00 71.21 C ATOM 157 O GLU A 12 -11.471 1.739 -1.432 1.00 42.53 O ATOM 158 CB GLU A 12 -10.567 -1.408 -2.156 1.00 64.23 C ATOM 159 CG GLU A 12 -10.197 -1.006 -3.611 1.00 61.22 C ATOM 160 CD GLU A 12 -11.073 0.111 -4.206 1.00 14.42 C ATOM 161 OE1 GLU A 12 -12.287 -0.124 -4.388 1.00 52.31 O ATOM 162 OE2 GLU A 12 -10.563 1.220 -4.497 1.00 23.34 O ATOM 0 H GLU A 12 -10.338 -1.949 0.276 1.00 74.04 H new ATOM 0 HA GLU A 12 -9.429 0.251 -1.380 1.00 33.01 H new ATOM 0 HB2 GLU A 12 -10.011 -2.309 -1.896 1.00 64.23 H new ATOM 0 HB3 GLU A 12 -11.625 -1.668 -2.130 1.00 64.23 H new ATOM 0 HG2 GLU A 12 -9.156 -0.684 -3.632 1.00 61.22 H new ATOM 0 HG3 GLU A 12 -10.271 -1.887 -4.248 1.00 61.22 H new ATOM 169 N LYS A 13 -12.495 0.229 -0.085 1.00 11.23 N ATOM 170 CA LYS A 13 -13.621 1.103 0.305 1.00 12.12 C ATOM 171 C LYS A 13 -13.067 2.262 1.157 1.00 50.12 C ATOM 172 O LYS A 13 -13.427 3.423 0.949 1.00 31.11 O ATOM 173 CB LYS A 13 -14.687 0.275 1.095 1.00 64.41 C ATOM 174 CG LYS A 13 -16.120 0.894 1.209 1.00 12.33 C ATOM 175 CD LYS A 13 -16.232 2.171 2.083 1.00 24.03 C ATOM 176 CE LYS A 13 -15.724 1.985 3.529 1.00 43.11 C ATOM 177 NZ LYS A 13 -16.474 0.930 4.260 1.00 11.11 N ATOM 0 H LYS A 13 -12.551 -0.713 0.303 1.00 11.23 H new ATOM 0 HA LYS A 13 -14.110 1.513 -0.578 1.00 12.12 H new ATOM 0 HB2 LYS A 13 -14.776 -0.703 0.622 1.00 64.41 H new ATOM 0 HB3 LYS A 13 -14.308 0.108 2.103 1.00 64.41 H new ATOM 0 HG2 LYS A 13 -16.475 1.130 0.206 1.00 12.33 H new ATOM 0 HG3 LYS A 13 -16.792 0.138 1.615 1.00 12.33 H new ATOM 0 HD2 LYS A 13 -15.667 2.974 1.610 1.00 24.03 H new ATOM 0 HD3 LYS A 13 -17.274 2.489 2.112 1.00 24.03 H new ATOM 0 HE2 LYS A 13 -14.665 1.727 3.509 1.00 43.11 H new ATOM 0 HE3 LYS A 13 -15.812 2.929 4.067 1.00 43.11 H new ATOM 0 HZ1 LYS A 13 -16.097 0.842 5.225 1.00 11.11 H new ATOM 0 HZ2 LYS A 13 -17.481 1.187 4.303 1.00 11.11 H new ATOM 0 HZ3 LYS A 13 -16.369 0.022 3.763 1.00 11.11 H new ATOM 191 N ALA A 14 -12.185 1.910 2.117 1.00 52.20 N ATOM 192 CA ALA A 14 -11.516 2.877 3.001 1.00 42.31 C ATOM 193 C ALA A 14 -10.634 3.845 2.191 1.00 22.40 C ATOM 194 O ALA A 14 -10.421 4.976 2.614 1.00 12.14 O ATOM 195 CB ALA A 14 -10.688 2.143 4.067 1.00 41.43 C ATOM 0 H ALA A 14 -11.919 0.942 2.298 1.00 52.20 H new ATOM 0 HA ALA A 14 -12.281 3.467 3.506 1.00 42.31 H new ATOM 0 HB1 ALA A 14 -10.199 2.872 4.713 1.00 41.43 H new ATOM 0 HB2 ALA A 14 -11.344 1.510 4.665 1.00 41.43 H new ATOM 0 HB3 ALA A 14 -9.933 1.526 3.580 1.00 41.43 H new ATOM 201 N TYR A 15 -10.123 3.364 1.039 1.00 14.32 N ATOM 202 CA TYR A 15 -9.354 4.176 0.080 1.00 55.35 C ATOM 203 C TYR A 15 -10.262 5.202 -0.600 1.00 4.11 C ATOM 204 O TYR A 15 -9.861 6.349 -0.793 1.00 34.44 O ATOM 205 CB TYR A 15 -8.681 3.263 -0.986 1.00 23.43 C ATOM 206 CG TYR A 15 -7.993 4.016 -2.132 1.00 44.15 C ATOM 207 CD1 TYR A 15 -6.733 4.590 -1.965 1.00 13.34 C ATOM 208 CD2 TYR A 15 -8.618 4.175 -3.373 1.00 23.43 C ATOM 209 CE1 TYR A 15 -6.124 5.283 -2.983 1.00 32.25 C ATOM 210 CE2 TYR A 15 -8.010 4.870 -4.390 1.00 22.04 C ATOM 211 CZ TYR A 15 -6.762 5.421 -4.193 1.00 32.50 C ATOM 212 OH TYR A 15 -6.154 6.117 -5.215 1.00 14.13 O ATOM 0 H TYR A 15 -10.235 2.393 0.748 1.00 14.32 H new ATOM 0 HA TYR A 15 -8.575 4.708 0.626 1.00 55.35 H new ATOM 0 HB2 TYR A 15 -7.944 2.631 -0.490 1.00 23.43 H new ATOM 0 HB3 TYR A 15 -9.437 2.601 -1.407 1.00 23.43 H new ATOM 0 HD1 TYR A 15 -6.226 4.488 -1.017 1.00 13.34 H new ATOM 0 HD2 TYR A 15 -9.595 3.744 -3.534 1.00 23.43 H new ATOM 0 HE1 TYR A 15 -5.147 5.718 -2.833 1.00 32.25 H new ATOM 0 HE2 TYR A 15 -8.508 4.984 -5.341 1.00 22.04 H new ATOM 0 HH TYR A 15 -6.738 6.120 -6.002 1.00 14.13 H new ATOM 222 N LYS A 16 -11.468 4.760 -0.990 1.00 4.34 N ATOM 223 CA LYS A 16 -12.455 5.613 -1.674 1.00 44.21 C ATOM 224 C LYS A 16 -13.004 6.696 -0.729 1.00 33.33 C ATOM 225 O LYS A 16 -13.239 7.824 -1.153 1.00 60.12 O ATOM 226 CB LYS A 16 -13.595 4.737 -2.262 1.00 13.01 C ATOM 227 CG LYS A 16 -13.111 3.704 -3.306 1.00 3.11 C ATOM 228 CD LYS A 16 -12.478 4.353 -4.558 1.00 44.50 C ATOM 229 CE LYS A 16 -13.520 5.020 -5.471 1.00 23.43 C ATOM 230 NZ LYS A 16 -12.884 5.741 -6.608 1.00 2.34 N ATOM 0 H LYS A 16 -11.787 3.803 -0.841 1.00 4.34 H new ATOM 0 HA LYS A 16 -11.961 6.129 -2.497 1.00 44.21 H new ATOM 0 HB2 LYS A 16 -14.094 4.211 -1.448 1.00 13.01 H new ATOM 0 HB3 LYS A 16 -14.338 5.386 -2.724 1.00 13.01 H new ATOM 0 HG2 LYS A 16 -12.382 3.041 -2.840 1.00 3.11 H new ATOM 0 HG3 LYS A 16 -13.954 3.085 -3.613 1.00 3.11 H new ATOM 0 HD2 LYS A 16 -11.745 5.097 -4.246 1.00 44.50 H new ATOM 0 HD3 LYS A 16 -11.939 3.593 -5.123 1.00 44.50 H new ATOM 0 HE2 LYS A 16 -14.201 4.262 -5.858 1.00 23.43 H new ATOM 0 HE3 LYS A 16 -14.119 5.719 -4.888 1.00 23.43 H new ATOM 0 HZ1 LYS A 16 -13.579 5.866 -7.372 1.00 2.34 H new ATOM 0 HZ2 LYS A 16 -12.552 6.672 -6.286 1.00 2.34 H new ATOM 0 HZ3 LYS A 16 -12.077 5.189 -6.961 1.00 2.34 H new ATOM 244 N LYS A 17 -13.166 6.335 0.559 1.00 50.53 N ATOM 245 CA LYS A 17 -13.564 7.276 1.624 1.00 44.23 C ATOM 246 C LYS A 17 -12.433 8.296 1.875 1.00 21.13 C ATOM 247 O LYS A 17 -12.669 9.502 2.009 1.00 34.24 O ATOM 248 CB LYS A 17 -13.883 6.505 2.928 1.00 4.43 C ATOM 249 CG LYS A 17 -14.308 7.407 4.114 1.00 20.40 C ATOM 250 CD LYS A 17 -14.589 6.600 5.401 1.00 5.14 C ATOM 251 CE LYS A 17 -14.964 7.498 6.587 1.00 50.33 C ATOM 252 NZ LYS A 17 -15.145 6.708 7.836 1.00 15.02 N ATOM 0 H LYS A 17 -13.024 5.381 0.891 1.00 50.53 H new ATOM 0 HA LYS A 17 -14.459 7.810 1.305 1.00 44.23 H new ATOM 0 HB2 LYS A 17 -14.680 5.789 2.727 1.00 4.43 H new ATOM 0 HB3 LYS A 17 -13.004 5.930 3.221 1.00 4.43 H new ATOM 0 HG2 LYS A 17 -13.522 8.137 4.311 1.00 20.40 H new ATOM 0 HG3 LYS A 17 -15.201 7.967 3.838 1.00 20.40 H new ATOM 0 HD2 LYS A 17 -15.398 5.894 5.214 1.00 5.14 H new ATOM 0 HD3 LYS A 17 -13.707 6.013 5.658 1.00 5.14 H new ATOM 0 HE2 LYS A 17 -14.186 8.246 6.738 1.00 50.33 H new ATOM 0 HE3 LYS A 17 -15.884 8.037 6.360 1.00 50.33 H new ATOM 0 HZ1 LYS A 17 -15.398 7.346 8.617 1.00 15.02 H new ATOM 0 HZ2 LYS A 17 -15.905 6.011 7.699 1.00 15.02 H new ATOM 0 HZ3 LYS A 17 -14.259 6.214 8.066 1.00 15.02 H new ATOM 266 N ALA A 18 -11.204 7.759 1.918 1.00 63.32 N ATOM 267 CA ALA A 18 -9.958 8.530 2.038 1.00 55.22 C ATOM 268 C ALA A 18 -9.797 9.523 0.866 1.00 12.34 C ATOM 269 O ALA A 18 -9.257 10.615 1.034 1.00 31.13 O ATOM 270 CB ALA A 18 -8.786 7.554 2.043 1.00 53.01 C ATOM 0 H ALA A 18 -11.046 6.753 1.869 1.00 63.32 H new ATOM 0 HA ALA A 18 -9.986 9.106 2.963 1.00 55.22 H new ATOM 0 HB1 ALA A 18 -7.851 8.108 2.131 1.00 53.01 H new ATOM 0 HB2 ALA A 18 -8.884 6.871 2.887 1.00 53.01 H new ATOM 0 HB3 ALA A 18 -8.783 6.984 1.114 1.00 53.01 H new ATOM 276 N GLU A 19 -10.273 9.084 -0.315 1.00 4.42 N ATOM 277 CA GLU A 19 -10.213 9.831 -1.588 1.00 74.14 C ATOM 278 C GLU A 19 -11.230 10.988 -1.591 1.00 3.33 C ATOM 279 O GLU A 19 -10.990 12.031 -2.213 1.00 44.20 O ATOM 280 CB GLU A 19 -10.480 8.835 -2.748 1.00 41.54 C ATOM 281 CG GLU A 19 -10.381 9.412 -4.171 1.00 0.45 C ATOM 282 CD GLU A 19 -10.819 8.396 -5.233 1.00 62.15 C ATOM 283 OE1 GLU A 19 -12.041 8.257 -5.451 1.00 23.43 O ATOM 284 OE2 GLU A 19 -9.965 7.710 -5.835 1.00 73.42 O ATOM 0 H GLU A 19 -10.723 8.174 -0.413 1.00 4.42 H new ATOM 0 HA GLU A 19 -9.227 10.279 -1.715 1.00 74.14 H new ATOM 0 HB2 GLU A 19 -9.772 8.010 -2.662 1.00 41.54 H new ATOM 0 HB3 GLU A 19 -11.477 8.415 -2.617 1.00 41.54 H new ATOM 0 HG2 GLU A 19 -11.002 10.305 -4.245 1.00 0.45 H new ATOM 0 HG3 GLU A 19 -9.354 9.721 -4.366 1.00 0.45 H new ATOM 291 N GLU A 20 -12.360 10.795 -0.882 1.00 50.34 N ATOM 292 CA GLU A 20 -13.373 11.851 -0.665 1.00 13.35 C ATOM 293 C GLU A 20 -12.816 12.948 0.247 1.00 11.23 C ATOM 294 O GLU A 20 -13.095 14.136 0.057 1.00 2.52 O ATOM 295 CB GLU A 20 -14.663 11.255 -0.043 1.00 44.01 C ATOM 296 CG GLU A 20 -15.362 10.210 -0.916 1.00 62.34 C ATOM 297 CD GLU A 20 -15.811 10.765 -2.277 1.00 11.23 C ATOM 298 OE1 GLU A 20 -16.932 11.302 -2.371 1.00 25.21 O ATOM 299 OE2 GLU A 20 -15.046 10.666 -3.260 1.00 71.34 O ATOM 0 H GLU A 20 -12.597 9.905 -0.444 1.00 50.34 H new ATOM 0 HA GLU A 20 -13.620 12.286 -1.633 1.00 13.35 H new ATOM 0 HB2 GLU A 20 -14.413 10.801 0.916 1.00 44.01 H new ATOM 0 HB3 GLU A 20 -15.362 12.066 0.161 1.00 44.01 H new ATOM 0 HG2 GLU A 20 -14.687 9.370 -1.078 1.00 62.34 H new ATOM 0 HG3 GLU A 20 -16.231 9.823 -0.384 1.00 62.34 H new ATOM 306 N LEU A 21 -12.044 12.516 1.251 1.00 33.41 N ATOM 307 CA LEU A 21 -11.337 13.409 2.183 1.00 51.50 C ATOM 308 C LEU A 21 -10.029 13.934 1.554 1.00 52.12 C ATOM 309 O LEU A 21 -9.435 14.896 2.060 1.00 1.35 O ATOM 310 CB LEU A 21 -11.054 12.641 3.506 1.00 43.11 C ATOM 311 CG LEU A 21 -12.309 12.101 4.261 1.00 1.30 C ATOM 312 CD1 LEU A 21 -11.910 11.325 5.537 1.00 61.43 C ATOM 313 CD2 LEU A 21 -13.303 13.238 4.568 1.00 75.14 C ATOM 0 H LEU A 21 -11.889 11.526 1.443 1.00 33.41 H new ATOM 0 HA LEU A 21 -11.962 14.275 2.400 1.00 51.50 H new ATOM 0 HB2 LEU A 21 -10.398 11.800 3.282 1.00 43.11 H new ATOM 0 HB3 LEU A 21 -10.506 13.302 4.178 1.00 43.11 H new ATOM 0 HG LEU A 21 -12.816 11.394 3.604 1.00 1.30 H new ATOM 0 HD11 LEU A 21 -12.808 10.963 6.038 1.00 61.43 H new ATOM 0 HD12 LEU A 21 -11.279 10.478 5.266 1.00 61.43 H new ATOM 0 HD13 LEU A 21 -11.361 11.986 6.208 1.00 61.43 H new ATOM 0 HD21 LEU A 21 -14.168 12.833 5.094 1.00 75.14 H new ATOM 0 HD22 LEU A 21 -12.817 13.988 5.192 1.00 75.14 H new ATOM 0 HD23 LEU A 21 -13.629 13.698 3.635 1.00 75.14 H new ATOM 325 N ASN A 22 -9.604 13.276 0.444 1.00 53.30 N ATOM 326 CA ASN A 22 -8.397 13.620 -0.347 1.00 44.25 C ATOM 327 C ASN A 22 -7.103 13.529 0.497 1.00 20.04 C ATOM 328 O ASN A 22 -6.069 14.096 0.129 1.00 24.44 O ATOM 329 CB ASN A 22 -8.563 15.017 -1.016 1.00 40.23 C ATOM 330 CG ASN A 22 -9.747 15.085 -1.996 1.00 35.43 C ATOM 331 OD1 ASN A 22 -9.598 14.843 -3.193 1.00 0.13 O ATOM 332 ND2 ASN A 22 -10.932 15.401 -1.494 1.00 44.32 N ATOM 0 H ASN A 22 -10.105 12.472 0.066 1.00 53.30 H new ATOM 0 HA ASN A 22 -8.294 12.879 -1.140 1.00 44.25 H new ATOM 0 HB2 ASN A 22 -8.699 15.770 -0.240 1.00 40.23 H new ATOM 0 HB3 ASN A 22 -7.645 15.269 -1.547 1.00 40.23 H new ATOM 0 HD21 ASN A 22 -11.748 15.448 -2.104 1.00 44.32 H new ATOM 0 HD22 ASN A 22 -11.028 15.597 -0.498 1.00 44.32 H new ATOM 339 N GLN A 23 -7.166 12.749 1.591 1.00 71.22 N ATOM 340 CA GLN A 23 -6.059 12.611 2.549 1.00 63.51 C ATOM 341 C GLN A 23 -5.070 11.544 2.068 1.00 72.54 C ATOM 342 O GLN A 23 -5.399 10.348 2.049 1.00 40.30 O ATOM 343 CB GLN A 23 -6.605 12.256 3.960 1.00 2.12 C ATOM 344 CG GLN A 23 -7.517 13.343 4.568 1.00 54.54 C ATOM 345 CD GLN A 23 -8.030 13.015 5.979 1.00 42.11 C ATOM 346 OE1 GLN A 23 -9.222 13.491 6.311 1.00 31.50 O flip ATOM 347 NE2 GLN A 23 -7.361 12.344 6.765 1.00 33.13 N flip ATOM 0 H GLN A 23 -7.988 12.197 1.834 1.00 71.22 H new ATOM 0 HA GLN A 23 -5.533 13.563 2.615 1.00 63.51 H new ATOM 0 HB2 GLN A 23 -7.161 11.321 3.899 1.00 2.12 H new ATOM 0 HB3 GLN A 23 -5.764 12.083 4.632 1.00 2.12 H new ATOM 0 HG2 GLN A 23 -6.969 14.284 4.602 1.00 54.54 H new ATOM 0 HG3 GLN A 23 -8.372 13.495 3.909 1.00 54.54 H new ATOM 0 HE21 GLN A 23 -6.447 11.990 6.483 1.00 33.13 H new ATOM 0 HE22 GLN A 23 -7.721 12.142 7.698 1.00 33.13 H new ATOM 356 N GLY A 24 -3.868 12.004 1.672 1.00 74.13 N ATOM 357 CA GLY A 24 -2.802 11.139 1.171 1.00 42.03 C ATOM 358 C GLY A 24 -2.278 10.139 2.199 1.00 71.50 C ATOM 359 O GLY A 24 -1.765 9.075 1.830 1.00 24.24 O ATOM 0 H GLY A 24 -3.616 12.992 1.694 1.00 74.13 H new ATOM 0 HA2 GLY A 24 -3.170 10.592 0.303 1.00 42.03 H new ATOM 0 HA3 GLY A 24 -1.974 11.761 0.829 1.00 42.03 H new ATOM 363 N GLU A 25 -2.405 10.500 3.492 1.00 63.40 N ATOM 364 CA GLU A 25 -2.090 9.609 4.622 1.00 13.51 C ATOM 365 C GLU A 25 -2.960 8.343 4.545 1.00 10.43 C ATOM 366 O GLU A 25 -2.448 7.225 4.515 1.00 54.55 O ATOM 367 CB GLU A 25 -2.356 10.348 5.966 1.00 54.11 C ATOM 368 CG GLU A 25 -2.117 9.489 7.233 1.00 34.31 C ATOM 369 CD GLU A 25 -2.817 10.048 8.479 1.00 71.03 C ATOM 370 OE1 GLU A 25 -4.064 10.109 8.474 1.00 62.35 O ATOM 371 OE2 GLU A 25 -2.144 10.422 9.463 1.00 30.24 O ATOM 0 H GLU A 25 -2.731 11.423 3.781 1.00 63.40 H new ATOM 0 HA GLU A 25 -1.039 9.325 4.571 1.00 13.51 H new ATOM 0 HB2 GLU A 25 -1.716 11.229 6.014 1.00 54.11 H new ATOM 0 HB3 GLU A 25 -3.387 10.703 5.973 1.00 54.11 H new ATOM 0 HG2 GLU A 25 -2.471 8.474 7.049 1.00 34.31 H new ATOM 0 HG3 GLU A 25 -1.046 9.424 7.424 1.00 34.31 H new ATOM 378 N LEU A 26 -4.279 8.568 4.459 1.00 14.23 N ATOM 379 CA LEU A 26 -5.289 7.503 4.463 1.00 64.23 C ATOM 380 C LEU A 26 -5.223 6.658 3.169 1.00 51.24 C ATOM 381 O LEU A 26 -5.300 5.428 3.231 1.00 32.40 O ATOM 382 CB LEU A 26 -6.706 8.119 4.630 1.00 31.53 C ATOM 383 CG LEU A 26 -7.076 8.715 6.017 1.00 61.43 C ATOM 384 CD1 LEU A 26 -8.477 9.372 5.970 1.00 74.13 C ATOM 385 CD2 LEU A 26 -7.017 7.633 7.102 1.00 61.30 C ATOM 0 H LEU A 26 -4.677 9.504 4.384 1.00 14.23 H new ATOM 0 HA LEU A 26 -5.081 6.841 5.304 1.00 64.23 H new ATOM 0 HB2 LEU A 26 -6.819 8.907 3.885 1.00 31.53 H new ATOM 0 HB3 LEU A 26 -7.438 7.347 4.391 1.00 31.53 H new ATOM 0 HG LEU A 26 -6.347 9.486 6.267 1.00 61.43 H new ATOM 0 HD11 LEU A 26 -8.719 9.784 6.950 1.00 74.13 H new ATOM 0 HD12 LEU A 26 -8.479 10.172 5.230 1.00 74.13 H new ATOM 0 HD13 LEU A 26 -9.221 8.623 5.697 1.00 74.13 H new ATOM 0 HD21 LEU A 26 -7.279 8.070 8.066 1.00 61.30 H new ATOM 0 HD22 LEU A 26 -7.721 6.837 6.861 1.00 61.30 H new ATOM 0 HD23 LEU A 26 -6.009 7.222 7.152 1.00 61.30 H new ATOM 397 N MET A 27 -5.083 7.336 2.006 1.00 72.00 N ATOM 398 CA MET A 27 -5.060 6.669 0.684 1.00 50.14 C ATOM 399 C MET A 27 -3.790 5.819 0.500 1.00 3.40 C ATOM 400 O MET A 27 -3.854 4.695 -0.014 1.00 61.10 O ATOM 401 CB MET A 27 -5.173 7.703 -0.475 1.00 44.30 C ATOM 402 CG MET A 27 -6.503 8.471 -0.527 1.00 4.41 C ATOM 403 SD MET A 27 -6.754 9.367 -2.076 1.00 53.15 S ATOM 404 CE MET A 27 -5.222 10.277 -2.216 1.00 42.41 C ATOM 0 H MET A 27 -4.984 8.350 1.957 1.00 72.00 H new ATOM 0 HA MET A 27 -5.926 6.008 0.650 1.00 50.14 H new ATOM 0 HB2 MET A 27 -4.358 8.421 -0.383 1.00 44.30 H new ATOM 0 HB3 MET A 27 -5.033 7.182 -1.422 1.00 44.30 H new ATOM 0 HG2 MET A 27 -7.325 7.769 -0.384 1.00 4.41 H new ATOM 0 HG3 MET A 27 -6.539 9.177 0.303 1.00 4.41 H new ATOM 0 HE1 MET A 27 -5.316 11.029 -3.000 1.00 42.41 H new ATOM 0 HE2 MET A 27 -5.002 10.767 -1.268 1.00 42.41 H new ATOM 0 HE3 MET A 27 -4.413 9.591 -2.466 1.00 42.41 H new ATOM 414 N GLY A 28 -2.646 6.382 0.931 1.00 30.43 N ATOM 415 CA GLY A 28 -1.365 5.688 0.880 1.00 44.01 C ATOM 416 C GLY A 28 -1.357 4.438 1.754 1.00 5.43 C ATOM 417 O GLY A 28 -0.942 3.367 1.307 1.00 4.31 O ATOM 0 H GLY A 28 -2.593 7.324 1.320 1.00 30.43 H new ATOM 0 HA2 GLY A 28 -1.144 5.411 -0.151 1.00 44.01 H new ATOM 0 HA3 GLY A 28 -0.574 6.363 1.206 1.00 44.01 H new ATOM 421 N ARG A 29 -1.859 4.587 3.001 1.00 1.52 N ATOM 422 CA ARG A 29 -2.002 3.466 3.957 1.00 32.04 C ATOM 423 C ARG A 29 -2.957 2.385 3.417 1.00 45.24 C ATOM 424 O ARG A 29 -2.726 1.201 3.636 1.00 55.04 O ATOM 425 CB ARG A 29 -2.505 3.967 5.345 1.00 21.11 C ATOM 426 CG ARG A 29 -1.450 4.727 6.175 1.00 32.03 C ATOM 427 CD ARG A 29 -2.002 5.228 7.522 1.00 32.22 C ATOM 428 NE ARG A 29 -0.954 5.835 8.360 1.00 71.34 N ATOM 429 CZ ARG A 29 -1.181 6.616 9.439 1.00 31.23 C ATOM 430 NH1 ARG A 29 -2.428 6.895 9.816 1.00 3.51 N ATOM 431 NH2 ARG A 29 -0.167 7.093 10.140 1.00 44.21 N ATOM 0 H ARG A 29 -2.175 5.483 3.371 1.00 1.52 H new ATOM 0 HA ARG A 29 -1.013 3.025 4.081 1.00 32.04 H new ATOM 0 HB2 ARG A 29 -3.365 4.618 5.191 1.00 21.11 H new ATOM 0 HB3 ARG A 29 -2.853 3.110 5.922 1.00 21.11 H new ATOM 0 HG2 ARG A 29 -0.597 4.073 6.357 1.00 32.03 H new ATOM 0 HG3 ARG A 29 -1.083 5.576 5.599 1.00 32.03 H new ATOM 0 HD2 ARG A 29 -2.789 5.960 7.341 1.00 32.22 H new ATOM 0 HD3 ARG A 29 -2.458 4.396 8.059 1.00 32.22 H new ATOM 0 HE ARG A 29 0.017 5.652 8.107 1.00 71.34 H new ATOM 0 HH11 ARG A 29 -3.216 6.519 9.289 1.00 3.51 H new ATOM 0 HH12 ARG A 29 -2.594 7.485 10.631 1.00 3.51 H new ATOM 0 HH21 ARG A 29 0.791 6.872 9.867 1.00 44.21 H new ATOM 0 HH22 ARG A 29 -0.342 7.682 10.954 1.00 44.21 H new ATOM 445 N ALA A 30 -4.012 2.820 2.707 1.00 14.04 N ATOM 446 CA ALA A 30 -5.017 1.917 2.115 1.00 24.32 C ATOM 447 C ALA A 30 -4.366 0.959 1.102 1.00 52.14 C ATOM 448 O ALA A 30 -4.531 -0.258 1.206 1.00 40.45 O ATOM 449 CB ALA A 30 -6.132 2.735 1.451 1.00 25.31 C ATOM 0 H ALA A 30 -4.193 3.807 2.527 1.00 14.04 H new ATOM 0 HA ALA A 30 -5.453 1.314 2.911 1.00 24.32 H new ATOM 0 HB1 ALA A 30 -6.869 2.060 1.017 1.00 25.31 H new ATOM 0 HB2 ALA A 30 -6.614 3.367 2.197 1.00 25.31 H new ATOM 0 HB3 ALA A 30 -5.706 3.361 0.666 1.00 25.31 H new ATOM 455 N LEU A 31 -3.590 1.540 0.159 1.00 52.43 N ATOM 456 CA LEU A 31 -2.870 0.783 -0.889 1.00 12.51 C ATOM 457 C LEU A 31 -1.778 -0.109 -0.270 1.00 43.20 C ATOM 458 O LEU A 31 -1.509 -1.211 -0.759 1.00 73.10 O ATOM 459 CB LEU A 31 -2.247 1.767 -1.919 1.00 43.15 C ATOM 460 CG LEU A 31 -3.260 2.679 -2.678 1.00 13.13 C ATOM 461 CD1 LEU A 31 -2.538 3.679 -3.608 1.00 14.30 C ATOM 462 CD2 LEU A 31 -4.297 1.834 -3.439 1.00 22.50 C ATOM 0 H LEU A 31 -3.446 2.548 0.104 1.00 52.43 H new ATOM 0 HA LEU A 31 -3.583 0.137 -1.401 1.00 12.51 H new ATOM 0 HB2 LEU A 31 -1.531 2.404 -1.399 1.00 43.15 H new ATOM 0 HB3 LEU A 31 -1.685 1.189 -2.653 1.00 43.15 H new ATOM 0 HG LEU A 31 -3.798 3.270 -1.937 1.00 13.13 H new ATOM 0 HD11 LEU A 31 -3.275 4.297 -4.120 1.00 14.30 H new ATOM 0 HD12 LEU A 31 -1.879 4.315 -3.017 1.00 14.30 H new ATOM 0 HD13 LEU A 31 -1.950 3.131 -4.344 1.00 14.30 H new ATOM 0 HD21 LEU A 31 -4.992 2.493 -3.960 1.00 22.50 H new ATOM 0 HD22 LEU A 31 -3.788 1.198 -4.163 1.00 22.50 H new ATOM 0 HD23 LEU A 31 -4.847 1.211 -2.734 1.00 22.50 H new ATOM 474 N TYR A 32 -1.179 0.389 0.827 1.00 0.01 N ATOM 475 CA TYR A 32 -0.147 -0.326 1.594 1.00 3.42 C ATOM 476 C TYR A 32 -0.734 -1.605 2.226 1.00 1.52 C ATOM 477 O TYR A 32 -0.149 -2.682 2.096 1.00 13.24 O ATOM 478 CB TYR A 32 0.443 0.608 2.688 1.00 34.35 C ATOM 479 CG TYR A 32 1.586 -0.013 3.499 1.00 71.34 C ATOM 480 CD1 TYR A 32 2.811 -0.288 2.897 1.00 64.33 C ATOM 481 CD2 TYR A 32 1.444 -0.338 4.855 1.00 72.14 C ATOM 482 CE1 TYR A 32 3.846 -0.854 3.605 1.00 53.44 C ATOM 483 CE2 TYR A 32 2.485 -0.905 5.566 1.00 60.24 C ATOM 484 CZ TYR A 32 3.682 -1.163 4.935 1.00 30.51 C ATOM 485 OH TYR A 32 4.721 -1.735 5.638 1.00 53.43 O ATOM 0 H TYR A 32 -1.401 1.309 1.208 1.00 0.01 H new ATOM 0 HA TYR A 32 0.656 -0.620 0.918 1.00 3.42 H new ATOM 0 HB2 TYR A 32 0.804 1.521 2.214 1.00 34.35 H new ATOM 0 HB3 TYR A 32 -0.356 0.898 3.371 1.00 34.35 H new ATOM 0 HD1 TYR A 32 2.952 -0.052 1.853 1.00 64.33 H new ATOM 0 HD2 TYR A 32 0.506 -0.142 5.353 1.00 72.14 H new ATOM 0 HE1 TYR A 32 4.788 -1.056 3.116 1.00 53.44 H new ATOM 0 HE2 TYR A 32 2.360 -1.145 6.612 1.00 60.24 H new ATOM 0 HH TYR A 32 5.573 -1.376 5.312 1.00 53.43 H new ATOM 495 N ASN A 33 -1.910 -1.469 2.873 1.00 23.31 N ATOM 496 CA ASN A 33 -2.597 -2.588 3.555 1.00 44.42 C ATOM 497 C ASN A 33 -3.076 -3.649 2.552 1.00 1.32 C ATOM 498 O ASN A 33 -2.960 -4.843 2.821 1.00 22.22 O ATOM 499 CB ASN A 33 -3.788 -2.083 4.427 1.00 73.44 C ATOM 500 CG ASN A 33 -3.360 -1.585 5.807 1.00 41.52 C ATOM 501 OD1 ASN A 33 -3.196 -2.379 6.731 1.00 22.22 O ATOM 502 ND2 ASN A 33 -3.222 -0.286 5.982 1.00 0.11 N ATOM 0 H ASN A 33 -2.410 -0.582 2.938 1.00 23.31 H new ATOM 0 HA ASN A 33 -1.867 -3.053 4.218 1.00 44.42 H new ATOM 0 HB2 ASN A 33 -4.299 -1.277 3.900 1.00 73.44 H new ATOM 0 HB3 ASN A 33 -4.509 -2.892 4.548 1.00 73.44 H new ATOM 0 HD21 ASN A 33 -2.974 0.081 6.901 1.00 0.11 H new ATOM 0 HD22 ASN A 33 -3.364 0.352 5.199 1.00 0.11 H new ATOM 509 N ILE A 34 -3.609 -3.188 1.403 1.00 31.33 N ATOM 510 CA ILE A 34 -3.999 -4.067 0.281 1.00 64.52 C ATOM 511 C ILE A 34 -2.781 -4.881 -0.206 1.00 61.32 C ATOM 512 O ILE A 34 -2.893 -6.086 -0.494 1.00 14.55 O ATOM 513 CB ILE A 34 -4.607 -3.230 -0.915 1.00 14.23 C ATOM 514 CG1 ILE A 34 -5.951 -2.550 -0.500 1.00 50.21 C ATOM 515 CG2 ILE A 34 -4.795 -4.097 -2.180 1.00 50.33 C ATOM 516 CD1 ILE A 34 -6.538 -1.598 -1.538 1.00 12.42 C ATOM 0 H ILE A 34 -3.781 -2.198 1.226 1.00 31.33 H new ATOM 0 HA ILE A 34 -4.767 -4.753 0.640 1.00 64.52 H new ATOM 0 HB ILE A 34 -3.891 -2.445 -1.158 1.00 14.23 H new ATOM 0 HG12 ILE A 34 -6.684 -3.328 -0.287 1.00 50.21 H new ATOM 0 HG13 ILE A 34 -5.791 -1.999 0.427 1.00 50.21 H new ATOM 0 HG21 ILE A 34 -5.215 -3.487 -2.980 1.00 50.33 H new ATOM 0 HG22 ILE A 34 -3.830 -4.495 -2.495 1.00 50.33 H new ATOM 0 HG23 ILE A 34 -5.473 -4.921 -1.959 1.00 50.33 H new ATOM 0 HD11 ILE A 34 -7.469 -1.176 -1.159 1.00 12.42 H new ATOM 0 HD12 ILE A 34 -5.829 -0.794 -1.736 1.00 12.42 H new ATOM 0 HD13 ILE A 34 -6.736 -2.143 -2.461 1.00 12.42 H new ATOM 528 N GLY A 35 -1.622 -4.199 -0.270 1.00 24.21 N ATOM 529 CA GLY A 35 -0.363 -4.819 -0.649 1.00 52.53 C ATOM 530 C GLY A 35 0.076 -5.905 0.327 1.00 70.51 C ATOM 531 O GLY A 35 0.588 -6.940 -0.092 1.00 44.43 O ATOM 0 H GLY A 35 -1.545 -3.204 -0.058 1.00 24.21 H new ATOM 0 HA2 GLY A 35 -0.460 -5.250 -1.646 1.00 52.53 H new ATOM 0 HA3 GLY A 35 0.411 -4.054 -0.707 1.00 52.53 H new ATOM 535 N LEU A 36 -0.132 -5.654 1.635 1.00 2.14 N ATOM 536 CA LEU A 36 0.206 -6.611 2.717 1.00 21.34 C ATOM 537 C LEU A 36 -0.617 -7.904 2.587 1.00 51.12 C ATOM 538 O LEU A 36 -0.094 -9.011 2.797 1.00 32.10 O ATOM 539 CB LEU A 36 -0.036 -5.962 4.111 1.00 25.31 C ATOM 540 CG LEU A 36 0.823 -4.702 4.438 1.00 62.05 C ATOM 541 CD1 LEU A 36 0.380 -4.054 5.761 1.00 45.02 C ATOM 542 CD2 LEU A 36 2.332 -5.030 4.441 1.00 54.23 C ATOM 0 H LEU A 36 -0.539 -4.783 1.975 1.00 2.14 H new ATOM 0 HA LEU A 36 1.262 -6.866 2.623 1.00 21.34 H new ATOM 0 HB2 LEU A 36 -1.089 -5.688 4.184 1.00 25.31 H new ATOM 0 HB3 LEU A 36 0.152 -6.714 4.877 1.00 25.31 H new ATOM 0 HG LEU A 36 0.655 -3.974 3.645 1.00 62.05 H new ATOM 0 HD11 LEU A 36 0.997 -3.178 5.962 1.00 45.02 H new ATOM 0 HD12 LEU A 36 -0.665 -3.752 5.686 1.00 45.02 H new ATOM 0 HD13 LEU A 36 0.493 -4.772 6.573 1.00 45.02 H new ATOM 0 HD21 LEU A 36 2.900 -4.129 4.672 1.00 54.23 H new ATOM 0 HD22 LEU A 36 2.537 -5.792 5.193 1.00 54.23 H new ATOM 0 HD23 LEU A 36 2.626 -5.402 3.459 1.00 54.23 H new ATOM 554 N GLU A 37 -1.902 -7.741 2.229 1.00 53.42 N ATOM 555 CA GLU A 37 -2.835 -8.867 2.053 1.00 52.23 C ATOM 556 C GLU A 37 -2.474 -9.684 0.806 1.00 52.35 C ATOM 557 O GLU A 37 -2.571 -10.906 0.818 1.00 1.11 O ATOM 558 CB GLU A 37 -4.294 -8.363 1.981 1.00 11.14 C ATOM 559 CG GLU A 37 -4.730 -7.474 3.161 1.00 10.25 C ATOM 560 CD GLU A 37 -4.405 -8.087 4.534 1.00 41.01 C ATOM 561 OE1 GLU A 37 -5.137 -8.991 4.983 1.00 54.23 O ATOM 562 OE2 GLU A 37 -3.404 -7.680 5.166 1.00 23.32 O ATOM 0 H GLU A 37 -2.322 -6.828 2.054 1.00 53.42 H new ATOM 0 HA GLU A 37 -2.747 -9.521 2.920 1.00 52.23 H new ATOM 0 HB2 GLU A 37 -4.425 -7.803 1.055 1.00 11.14 H new ATOM 0 HB3 GLU A 37 -4.959 -9.225 1.929 1.00 11.14 H new ATOM 0 HG2 GLU A 37 -4.239 -6.504 3.078 1.00 10.25 H new ATOM 0 HG3 GLU A 37 -5.803 -7.295 3.095 1.00 10.25 H new ATOM 569 N LYS A 38 -2.047 -8.994 -0.266 1.00 34.43 N ATOM 570 CA LYS A 38 -1.515 -9.649 -1.477 1.00 63.14 C ATOM 571 C LYS A 38 -0.245 -10.449 -1.134 1.00 12.35 C ATOM 572 O LYS A 38 -0.102 -11.609 -1.523 1.00 1.33 O ATOM 573 CB LYS A 38 -1.193 -8.581 -2.565 1.00 4.04 C ATOM 574 CG LYS A 38 -2.418 -7.968 -3.274 1.00 34.53 C ATOM 575 CD LYS A 38 -3.146 -8.995 -4.172 1.00 63.33 C ATOM 576 CE LYS A 38 -4.314 -8.384 -4.957 1.00 12.40 C ATOM 577 NZ LYS A 38 -4.955 -9.380 -5.862 1.00 62.44 N ATOM 0 H LYS A 38 -2.060 -7.975 -0.319 1.00 34.43 H new ATOM 0 HA LYS A 38 -2.269 -10.334 -1.865 1.00 63.14 H new ATOM 0 HB2 LYS A 38 -0.622 -7.776 -2.102 1.00 4.04 H new ATOM 0 HB3 LYS A 38 -0.549 -9.036 -3.318 1.00 4.04 H new ATOM 0 HG2 LYS A 38 -3.113 -7.583 -2.528 1.00 34.53 H new ATOM 0 HG3 LYS A 38 -2.099 -7.120 -3.880 1.00 34.53 H new ATOM 0 HD2 LYS A 38 -2.432 -9.428 -4.872 1.00 63.33 H new ATOM 0 HD3 LYS A 38 -3.519 -9.811 -3.553 1.00 63.33 H new ATOM 0 HE2 LYS A 38 -5.057 -7.996 -4.260 1.00 12.40 H new ATOM 0 HE3 LYS A 38 -3.955 -7.538 -5.544 1.00 12.40 H new ATOM 0 HZ1 LYS A 38 -4.646 -9.209 -6.840 1.00 62.44 H new ATOM 0 HZ2 LYS A 38 -4.677 -10.340 -5.574 1.00 62.44 H new ATOM 0 HZ3 LYS A 38 -5.989 -9.287 -5.804 1.00 62.44 H new ATOM 591 N ASN A 39 0.629 -9.816 -0.341 1.00 31.53 N ATOM 592 CA ASN A 39 1.988 -10.317 -0.058 1.00 33.24 C ATOM 593 C ASN A 39 1.944 -11.607 0.785 1.00 64.13 C ATOM 594 O ASN A 39 2.752 -12.521 0.569 1.00 15.01 O ATOM 595 CB ASN A 39 2.813 -9.195 0.645 1.00 33.13 C ATOM 596 CG ASN A 39 4.333 -9.357 0.509 1.00 32.24 C ATOM 597 OD1 ASN A 39 4.876 -10.453 0.570 1.00 64.54 O ATOM 598 ND2 ASN A 39 5.026 -8.251 0.291 1.00 13.14 N ATOM 0 H ASN A 39 0.415 -8.935 0.127 1.00 31.53 H new ATOM 0 HA ASN A 39 2.478 -10.576 -0.997 1.00 33.24 H new ATOM 0 HB2 ASN A 39 2.522 -8.230 0.229 1.00 33.13 H new ATOM 0 HB3 ASN A 39 2.553 -9.177 1.703 1.00 33.13 H new ATOM 0 HD21 ASN A 39 6.038 -8.299 0.169 1.00 13.14 H new ATOM 0 HD22 ASN A 39 4.549 -7.351 0.245 1.00 13.14 H new ATOM 605 N LYS A 40 0.965 -11.688 1.711 1.00 43.42 N ATOM 606 CA LYS A 40 0.783 -12.884 2.571 1.00 15.44 C ATOM 607 C LYS A 40 0.178 -14.058 1.769 1.00 23.11 C ATOM 608 O LYS A 40 0.384 -15.224 2.117 1.00 51.24 O ATOM 609 CB LYS A 40 -0.089 -12.564 3.823 1.00 53.40 C ATOM 610 CG LYS A 40 -1.570 -12.264 3.524 1.00 33.14 C ATOM 611 CD LYS A 40 -2.417 -11.986 4.789 1.00 12.23 C ATOM 612 CE LYS A 40 -1.972 -10.735 5.554 1.00 24.21 C ATOM 613 NZ LYS A 40 -2.925 -10.382 6.646 1.00 45.21 N ATOM 0 H LYS A 40 0.289 -10.944 1.884 1.00 43.42 H new ATOM 0 HA LYS A 40 1.770 -13.183 2.923 1.00 15.44 H new ATOM 0 HB2 LYS A 40 -0.036 -13.409 4.510 1.00 53.40 H new ATOM 0 HB3 LYS A 40 0.343 -11.707 4.339 1.00 53.40 H new ATOM 0 HG2 LYS A 40 -1.630 -11.401 2.861 1.00 33.14 H new ATOM 0 HG3 LYS A 40 -2.001 -13.109 2.987 1.00 33.14 H new ATOM 0 HD2 LYS A 40 -3.462 -11.874 4.501 1.00 12.23 H new ATOM 0 HD3 LYS A 40 -2.360 -12.849 5.453 1.00 12.23 H new ATOM 0 HE2 LYS A 40 -0.981 -10.901 5.977 1.00 24.21 H new ATOM 0 HE3 LYS A 40 -1.887 -9.897 4.862 1.00 24.21 H new ATOM 0 HZ1 LYS A 40 -2.488 -9.677 7.273 1.00 45.21 H new ATOM 0 HZ2 LYS A 40 -3.795 -9.988 6.234 1.00 45.21 H new ATOM 0 HZ3 LYS A 40 -3.157 -11.235 7.193 1.00 45.21 H new ATOM 627 N MET A 41 -0.553 -13.731 0.679 1.00 2.44 N ATOM 628 CA MET A 41 -1.160 -14.734 -0.228 1.00 73.10 C ATOM 629 C MET A 41 -0.175 -15.194 -1.327 1.00 60.31 C ATOM 630 O MET A 41 -0.553 -15.974 -2.209 1.00 34.23 O ATOM 631 CB MET A 41 -2.454 -14.157 -0.876 1.00 34.44 C ATOM 632 CG MET A 41 -3.577 -13.847 0.125 1.00 3.42 C ATOM 633 SD MET A 41 -5.156 -13.409 -0.646 1.00 24.02 S ATOM 634 CE MET A 41 -4.817 -11.796 -1.352 1.00 20.00 C ATOM 0 H MET A 41 -0.739 -12.767 0.403 1.00 2.44 H new ATOM 0 HA MET A 41 -1.412 -15.608 0.373 1.00 73.10 H new ATOM 0 HB2 MET A 41 -2.201 -13.244 -1.415 1.00 34.44 H new ATOM 0 HB3 MET A 41 -2.826 -14.869 -1.613 1.00 34.44 H new ATOM 0 HG2 MET A 41 -3.727 -14.715 0.767 1.00 3.42 H new ATOM 0 HG3 MET A 41 -3.259 -13.026 0.768 1.00 3.42 H new ATOM 0 HE1 MET A 41 -5.151 -11.775 -2.389 1.00 20.00 H new ATOM 0 HE2 MET A 41 -5.348 -11.032 -0.785 1.00 20.00 H new ATOM 0 HE3 MET A 41 -3.746 -11.599 -1.312 1.00 20.00 H new ATOM 644 N GLY A 42 1.079 -14.696 -1.273 1.00 22.25 N ATOM 645 CA GLY A 42 2.112 -15.033 -2.270 1.00 51.13 C ATOM 646 C GLY A 42 2.002 -14.216 -3.553 1.00 74.12 C ATOM 647 O GLY A 42 2.795 -14.398 -4.486 1.00 44.13 O ATOM 0 H GLY A 42 1.399 -14.057 -0.545 1.00 22.25 H new ATOM 0 HA2 GLY A 42 3.097 -14.875 -1.830 1.00 51.13 H new ATOM 0 HA3 GLY A 42 2.039 -16.093 -2.515 1.00 51.13 H new ATOM 651 N LYS A 43 1.026 -13.290 -3.576 1.00 34.43 N ATOM 652 CA LYS A 43 0.776 -12.370 -4.699 1.00 43.54 C ATOM 653 C LYS A 43 1.620 -11.103 -4.496 1.00 54.41 C ATOM 654 O LYS A 43 1.128 -9.972 -4.567 1.00 31.22 O ATOM 655 CB LYS A 43 -0.742 -12.032 -4.739 1.00 55.42 C ATOM 656 CG LYS A 43 -1.671 -13.262 -4.777 1.00 71.21 C ATOM 657 CD LYS A 43 -3.156 -12.877 -4.583 1.00 13.52 C ATOM 658 CE LYS A 43 -4.087 -14.100 -4.581 1.00 53.13 C ATOM 659 NZ LYS A 43 -4.102 -14.796 -5.899 1.00 54.20 N ATOM 0 H LYS A 43 0.377 -13.158 -2.800 1.00 34.43 H new ATOM 0 HA LYS A 43 1.056 -12.826 -5.648 1.00 43.54 H new ATOM 0 HB2 LYS A 43 -0.991 -11.432 -3.864 1.00 55.42 H new ATOM 0 HB3 LYS A 43 -0.941 -11.415 -5.615 1.00 55.42 H new ATOM 0 HG2 LYS A 43 -1.552 -13.776 -5.731 1.00 71.21 H new ATOM 0 HG3 LYS A 43 -1.374 -13.964 -3.998 1.00 71.21 H new ATOM 0 HD2 LYS A 43 -3.268 -12.338 -3.642 1.00 13.52 H new ATOM 0 HD3 LYS A 43 -3.458 -12.196 -5.379 1.00 13.52 H new ATOM 0 HE2 LYS A 43 -3.767 -14.797 -3.807 1.00 53.13 H new ATOM 0 HE3 LYS A 43 -5.099 -13.784 -4.327 1.00 53.13 H new ATOM 0 HZ1 LYS A 43 -4.793 -15.573 -5.873 1.00 54.20 H new ATOM 0 HZ2 LYS A 43 -4.367 -14.121 -6.645 1.00 54.20 H new ATOM 0 HZ3 LYS A 43 -3.157 -15.180 -6.100 1.00 54.20 H new ATOM 673 N VAL A 44 2.925 -11.331 -4.305 1.00 45.33 N ATOM 674 CA VAL A 44 3.913 -10.290 -4.007 1.00 1.32 C ATOM 675 C VAL A 44 4.154 -9.415 -5.252 1.00 53.32 C ATOM 676 O VAL A 44 4.546 -8.259 -5.148 1.00 22.32 O ATOM 677 CB VAL A 44 5.255 -10.932 -3.498 1.00 0.42 C ATOM 678 CG1 VAL A 44 6.239 -9.861 -2.994 1.00 54.53 C ATOM 679 CG2 VAL A 44 4.987 -11.994 -2.408 1.00 62.25 C ATOM 0 H VAL A 44 3.331 -12.265 -4.355 1.00 45.33 H new ATOM 0 HA VAL A 44 3.525 -9.653 -3.212 1.00 1.32 H new ATOM 0 HB VAL A 44 5.720 -11.432 -4.348 1.00 0.42 H new ATOM 0 HG11 VAL A 44 7.155 -10.341 -2.650 1.00 54.53 H new ATOM 0 HG12 VAL A 44 6.473 -9.172 -3.805 1.00 54.53 H new ATOM 0 HG13 VAL A 44 5.786 -9.310 -2.169 1.00 54.53 H new ATOM 0 HG21 VAL A 44 5.933 -12.421 -2.075 1.00 62.25 H new ATOM 0 HG22 VAL A 44 4.482 -11.528 -1.562 1.00 62.25 H new ATOM 0 HG23 VAL A 44 4.357 -12.784 -2.817 1.00 62.25 H new ATOM 689 N LYS A 45 3.866 -10.004 -6.426 1.00 20.14 N ATOM 690 CA LYS A 45 4.031 -9.363 -7.742 1.00 64.54 C ATOM 691 C LYS A 45 3.079 -8.145 -7.854 1.00 24.35 C ATOM 692 O LYS A 45 3.469 -7.072 -8.332 1.00 64.30 O ATOM 693 CB LYS A 45 3.749 -10.381 -8.902 1.00 15.42 C ATOM 694 CG LYS A 45 4.520 -11.745 -8.810 1.00 72.35 C ATOM 695 CD LYS A 45 3.829 -12.779 -7.873 1.00 4.41 C ATOM 696 CE LYS A 45 4.628 -14.082 -7.722 1.00 0.42 C ATOM 697 NZ LYS A 45 5.966 -13.840 -7.115 1.00 42.35 N ATOM 0 H LYS A 45 3.506 -10.956 -6.488 1.00 20.14 H new ATOM 0 HA LYS A 45 5.063 -9.023 -7.835 1.00 64.54 H new ATOM 0 HB2 LYS A 45 2.679 -10.590 -8.926 1.00 15.42 H new ATOM 0 HB3 LYS A 45 4.002 -9.904 -9.849 1.00 15.42 H new ATOM 0 HG2 LYS A 45 4.609 -12.172 -9.809 1.00 72.35 H new ATOM 0 HG3 LYS A 45 5.532 -11.559 -8.451 1.00 72.35 H new ATOM 0 HD2 LYS A 45 3.686 -12.331 -6.890 1.00 4.41 H new ATOM 0 HD3 LYS A 45 2.838 -13.010 -8.265 1.00 4.41 H new ATOM 0 HE2 LYS A 45 4.068 -14.782 -7.102 1.00 0.42 H new ATOM 0 HE3 LYS A 45 4.751 -14.549 -8.699 1.00 0.42 H new ATOM 0 HZ1 LYS A 45 6.400 -14.749 -6.857 1.00 42.35 H new ATOM 0 HZ2 LYS A 45 6.574 -13.348 -7.800 1.00 42.35 H new ATOM 0 HZ3 LYS A 45 5.860 -13.253 -6.263 1.00 42.35 H new ATOM 711 N GLU A 46 1.829 -8.354 -7.379 1.00 51.14 N ATOM 712 CA GLU A 46 0.797 -7.300 -7.278 1.00 30.02 C ATOM 713 C GLU A 46 1.113 -6.359 -6.100 1.00 33.42 C ATOM 714 O GLU A 46 0.980 -5.135 -6.221 1.00 55.11 O ATOM 715 CB GLU A 46 -0.607 -7.946 -7.089 1.00 40.43 C ATOM 716 CG GLU A 46 -1.019 -8.880 -8.242 1.00 5.34 C ATOM 717 CD GLU A 46 -2.387 -9.557 -8.018 1.00 15.24 C ATOM 718 OE1 GLU A 46 -3.428 -8.956 -8.367 1.00 13.02 O ATOM 719 OE2 GLU A 46 -2.435 -10.676 -7.463 1.00 13.13 O ATOM 0 H GLU A 46 1.508 -9.266 -7.053 1.00 51.14 H new ATOM 0 HA GLU A 46 0.795 -6.718 -8.199 1.00 30.02 H new ATOM 0 HB2 GLU A 46 -0.615 -8.510 -6.156 1.00 40.43 H new ATOM 0 HB3 GLU A 46 -1.351 -7.155 -6.990 1.00 40.43 H new ATOM 0 HG2 GLU A 46 -1.051 -8.309 -9.170 1.00 5.34 H new ATOM 0 HG3 GLU A 46 -0.257 -9.649 -8.368 1.00 5.34 H new ATOM 726 N ALA A 47 1.578 -6.964 -4.976 1.00 42.05 N ATOM 727 CA ALA A 47 1.873 -6.258 -3.710 1.00 31.14 C ATOM 728 C ALA A 47 2.912 -5.146 -3.902 1.00 51.44 C ATOM 729 O ALA A 47 2.768 -4.071 -3.327 1.00 53.33 O ATOM 730 CB ALA A 47 2.358 -7.247 -2.642 1.00 25.35 C ATOM 0 H ALA A 47 1.759 -7.967 -4.927 1.00 42.05 H new ATOM 0 HA ALA A 47 0.945 -5.794 -3.377 1.00 31.14 H new ATOM 0 HB1 ALA A 47 2.570 -6.709 -1.718 1.00 25.35 H new ATOM 0 HB2 ALA A 47 1.585 -7.993 -2.459 1.00 25.35 H new ATOM 0 HB3 ALA A 47 3.265 -7.742 -2.990 1.00 25.35 H new ATOM 736 N ILE A 48 3.938 -5.441 -4.736 1.00 23.20 N ATOM 737 CA ILE A 48 5.001 -4.492 -5.123 1.00 44.40 C ATOM 738 C ILE A 48 4.390 -3.203 -5.682 1.00 4.33 C ATOM 739 O ILE A 48 4.716 -2.114 -5.213 1.00 15.12 O ATOM 740 CB ILE A 48 5.982 -5.153 -6.185 1.00 54.12 C ATOM 741 CG1 ILE A 48 6.893 -6.222 -5.506 1.00 61.41 C ATOM 742 CG2 ILE A 48 6.836 -4.108 -6.941 1.00 35.23 C ATOM 743 CD1 ILE A 48 7.806 -6.982 -6.460 1.00 12.14 C ATOM 0 H ILE A 48 4.049 -6.360 -5.164 1.00 23.20 H new ATOM 0 HA ILE A 48 5.580 -4.241 -4.234 1.00 44.40 H new ATOM 0 HB ILE A 48 5.354 -5.644 -6.928 1.00 54.12 H new ATOM 0 HG12 ILE A 48 7.507 -5.729 -4.752 1.00 61.41 H new ATOM 0 HG13 ILE A 48 6.260 -6.939 -4.983 1.00 61.41 H new ATOM 0 HG21 ILE A 48 7.487 -4.616 -7.653 1.00 35.23 H new ATOM 0 HG22 ILE A 48 6.181 -3.420 -7.475 1.00 35.23 H new ATOM 0 HG23 ILE A 48 7.443 -3.550 -6.228 1.00 35.23 H new ATOM 0 HD11 ILE A 48 8.401 -7.702 -5.898 1.00 12.14 H new ATOM 0 HD12 ILE A 48 7.202 -7.508 -7.200 1.00 12.14 H new ATOM 0 HD13 ILE A 48 8.469 -6.280 -6.966 1.00 12.14 H new ATOM 755 N GLU A 49 3.466 -3.356 -6.648 1.00 51.32 N ATOM 756 CA GLU A 49 2.816 -2.217 -7.317 1.00 5.24 C ATOM 757 C GLU A 49 1.982 -1.403 -6.320 1.00 75.34 C ATOM 758 O GLU A 49 1.988 -0.178 -6.369 1.00 2.12 O ATOM 759 CB GLU A 49 1.952 -2.686 -8.509 1.00 62.41 C ATOM 760 CG GLU A 49 2.731 -3.509 -9.557 1.00 60.22 C ATOM 761 CD GLU A 49 1.947 -3.706 -10.857 1.00 61.02 C ATOM 762 OE1 GLU A 49 1.107 -4.628 -10.917 1.00 63.21 O ATOM 763 OE2 GLU A 49 2.150 -2.922 -11.817 1.00 11.03 O ATOM 0 H GLU A 49 3.151 -4.266 -6.984 1.00 51.32 H new ATOM 0 HA GLU A 49 3.599 -1.570 -7.711 1.00 5.24 H new ATOM 0 HB2 GLU A 49 1.124 -3.286 -8.132 1.00 62.41 H new ATOM 0 HB3 GLU A 49 1.517 -1.813 -8.996 1.00 62.41 H new ATOM 0 HG2 GLU A 49 3.673 -3.008 -9.779 1.00 60.22 H new ATOM 0 HG3 GLU A 49 2.979 -4.483 -9.136 1.00 60.22 H new ATOM 770 N TYR A 50 1.311 -2.101 -5.395 1.00 73.23 N ATOM 771 CA TYR A 50 0.523 -1.467 -4.321 1.00 12.24 C ATOM 772 C TYR A 50 1.405 -0.659 -3.345 1.00 42.23 C ATOM 773 O TYR A 50 0.989 0.402 -2.875 1.00 42.51 O ATOM 774 CB TYR A 50 -0.296 -2.529 -3.553 1.00 10.50 C ATOM 775 CG TYR A 50 -1.549 -3.001 -4.290 1.00 4.15 C ATOM 776 CD1 TYR A 50 -2.594 -2.109 -4.546 1.00 25.23 C ATOM 777 CD2 TYR A 50 -1.697 -4.323 -4.729 1.00 30.13 C ATOM 778 CE1 TYR A 50 -3.733 -2.515 -5.201 1.00 11.21 C ATOM 779 CE2 TYR A 50 -2.838 -4.733 -5.384 1.00 52.43 C ATOM 780 CZ TYR A 50 -3.851 -3.829 -5.621 1.00 71.00 C ATOM 781 OH TYR A 50 -4.996 -4.238 -6.263 1.00 12.24 O ATOM 0 H TYR A 50 1.297 -3.121 -5.367 1.00 73.23 H new ATOM 0 HA TYR A 50 -0.160 -0.763 -4.797 1.00 12.24 H new ATOM 0 HB2 TYR A 50 0.342 -3.390 -3.354 1.00 10.50 H new ATOM 0 HB3 TYR A 50 -0.589 -2.118 -2.587 1.00 10.50 H new ATOM 0 HD1 TYR A 50 -2.505 -1.082 -4.224 1.00 25.23 H new ATOM 0 HD2 TYR A 50 -0.903 -5.033 -4.551 1.00 30.13 H new ATOM 0 HE1 TYR A 50 -4.532 -1.812 -5.387 1.00 11.21 H new ATOM 0 HE2 TYR A 50 -2.938 -5.758 -5.710 1.00 52.43 H new ATOM 0 HH TYR A 50 -4.920 -5.187 -6.494 1.00 12.24 H new ATOM 791 N PHE A 51 2.617 -1.174 -3.054 1.00 73.24 N ATOM 792 CA PHE A 51 3.598 -0.476 -2.196 1.00 54.12 C ATOM 793 C PHE A 51 4.268 0.668 -2.968 1.00 70.05 C ATOM 794 O PHE A 51 4.720 1.633 -2.367 1.00 3.44 O ATOM 795 CB PHE A 51 4.699 -1.432 -1.674 1.00 45.34 C ATOM 796 CG PHE A 51 4.233 -2.617 -0.840 1.00 70.30 C ATOM 797 CD1 PHE A 51 3.237 -2.475 0.122 1.00 71.22 C ATOM 798 CD2 PHE A 51 4.808 -3.876 -1.016 1.00 34.12 C ATOM 799 CE1 PHE A 51 2.827 -3.554 0.877 1.00 45.41 C ATOM 800 CE2 PHE A 51 4.396 -4.957 -0.264 1.00 25.24 C ATOM 801 CZ PHE A 51 3.402 -4.796 0.682 1.00 3.42 C ATOM 0 H PHE A 51 2.942 -2.076 -3.403 1.00 73.24 H new ATOM 0 HA PHE A 51 3.045 -0.083 -1.343 1.00 54.12 H new ATOM 0 HB2 PHE A 51 5.252 -1.815 -2.532 1.00 45.34 H new ATOM 0 HB3 PHE A 51 5.401 -0.850 -1.077 1.00 45.34 H new ATOM 0 HD1 PHE A 51 2.780 -1.509 0.279 1.00 71.22 H new ATOM 0 HD2 PHE A 51 5.587 -4.006 -1.752 1.00 34.12 H new ATOM 0 HE1 PHE A 51 2.055 -3.428 1.622 1.00 45.41 H new ATOM 0 HE2 PHE A 51 4.849 -5.926 -0.414 1.00 25.24 H new ATOM 0 HZ PHE A 51 3.074 -5.641 1.269 1.00 3.42 H new ATOM 811 N LEU A 52 4.366 0.521 -4.303 1.00 21.01 N ATOM 812 CA LEU A 52 4.957 1.556 -5.186 1.00 10.55 C ATOM 813 C LEU A 52 4.045 2.786 -5.212 1.00 62.03 C ATOM 814 O LEU A 52 4.517 3.919 -5.152 1.00 75.34 O ATOM 815 CB LEU A 52 5.172 1.009 -6.634 1.00 44.40 C ATOM 816 CG LEU A 52 6.401 0.066 -6.845 1.00 70.32 C ATOM 817 CD1 LEU A 52 6.349 -0.614 -8.228 1.00 43.22 C ATOM 818 CD2 LEU A 52 7.727 0.830 -6.656 1.00 53.45 C ATOM 0 H LEU A 52 4.042 -0.309 -4.800 1.00 21.01 H new ATOM 0 HA LEU A 52 5.933 1.835 -4.789 1.00 10.55 H new ATOM 0 HB2 LEU A 52 4.273 0.470 -6.933 1.00 44.40 H new ATOM 0 HB3 LEU A 52 5.274 1.859 -7.309 1.00 44.40 H new ATOM 0 HG LEU A 52 6.353 -0.715 -6.086 1.00 70.32 H new ATOM 0 HD11 LEU A 52 7.216 -1.264 -8.347 1.00 43.22 H new ATOM 0 HD12 LEU A 52 5.438 -1.207 -8.308 1.00 43.22 H new ATOM 0 HD13 LEU A 52 6.356 0.147 -9.008 1.00 43.22 H new ATOM 0 HD21 LEU A 52 8.564 0.149 -6.809 1.00 53.45 H new ATOM 0 HD22 LEU A 52 7.784 1.644 -7.379 1.00 53.45 H new ATOM 0 HD23 LEU A 52 7.771 1.238 -5.646 1.00 53.45 H new ATOM 830 N ARG A 53 2.731 2.518 -5.285 1.00 52.40 N ATOM 831 CA ARG A 53 1.678 3.546 -5.309 1.00 22.33 C ATOM 832 C ARG A 53 1.482 4.143 -3.905 1.00 53.21 C ATOM 833 O ARG A 53 1.298 5.352 -3.776 1.00 14.32 O ATOM 834 CB ARG A 53 0.355 2.930 -5.840 1.00 23.34 C ATOM 835 CG ARG A 53 0.458 2.355 -7.273 1.00 71.01 C ATOM 836 CD ARG A 53 -0.774 1.514 -7.678 1.00 42.12 C ATOM 837 NE ARG A 53 -0.523 0.721 -8.893 1.00 65.12 N ATOM 838 CZ ARG A 53 -1.080 -0.474 -9.172 1.00 50.32 C ATOM 839 NH1 ARG A 53 -1.953 -1.036 -8.325 1.00 34.10 N ATOM 840 NH2 ARG A 53 -0.756 -1.099 -10.290 1.00 35.43 N ATOM 0 H ARG A 53 2.365 1.567 -5.330 1.00 52.40 H new ATOM 0 HA ARG A 53 1.979 4.352 -5.978 1.00 22.33 H new ATOM 0 HB2 ARG A 53 0.039 2.136 -5.163 1.00 23.34 H new ATOM 0 HB3 ARG A 53 -0.422 3.694 -5.821 1.00 23.34 H new ATOM 0 HG2 ARG A 53 0.579 3.176 -7.980 1.00 71.01 H new ATOM 0 HG3 ARG A 53 1.353 1.737 -7.347 1.00 71.01 H new ATOM 0 HD2 ARG A 53 -1.044 0.847 -6.859 1.00 42.12 H new ATOM 0 HD3 ARG A 53 -1.625 2.174 -7.845 1.00 42.12 H new ATOM 0 HE ARG A 53 0.125 1.108 -9.579 1.00 65.12 H new ATOM 0 HH11 ARG A 53 -2.202 -0.559 -7.459 1.00 34.10 H new ATOM 0 HH12 ARG A 53 -2.368 -1.941 -8.547 1.00 34.10 H new ATOM 0 HH21 ARG A 53 -0.088 -0.677 -10.935 1.00 35.43 H new ATOM 0 HH22 ARG A 53 -1.174 -2.004 -10.508 1.00 35.43 H new ATOM 854 N ALA A 54 1.553 3.279 -2.867 1.00 2.03 N ATOM 855 CA ALA A 54 1.444 3.700 -1.453 1.00 11.12 C ATOM 856 C ALA A 54 2.579 4.670 -1.106 1.00 51.11 C ATOM 857 O ALA A 54 2.335 5.767 -0.593 1.00 63.35 O ATOM 858 CB ALA A 54 1.493 2.475 -0.524 1.00 54.53 C ATOM 0 H ALA A 54 1.687 2.275 -2.986 1.00 2.03 H new ATOM 0 HA ALA A 54 0.489 4.206 -1.311 1.00 11.12 H new ATOM 0 HB1 ALA A 54 1.412 2.801 0.513 1.00 54.53 H new ATOM 0 HB2 ALA A 54 0.665 1.806 -0.760 1.00 54.53 H new ATOM 0 HB3 ALA A 54 2.437 1.948 -0.666 1.00 54.53 H new ATOM 864 N LYS A 55 3.815 4.249 -1.460 1.00 63.31 N ATOM 865 CA LYS A 55 5.027 5.057 -1.301 1.00 11.11 C ATOM 866 C LYS A 55 4.901 6.352 -2.096 1.00 3.21 C ATOM 867 O LYS A 55 5.184 7.404 -1.558 1.00 44.23 O ATOM 868 CB LYS A 55 6.283 4.264 -1.764 1.00 23.31 C ATOM 869 CG LYS A 55 7.572 5.107 -1.889 1.00 62.10 C ATOM 870 CD LYS A 55 8.800 4.270 -2.312 1.00 72.13 C ATOM 871 CE LYS A 55 9.998 5.152 -2.698 1.00 54.14 C ATOM 872 NZ LYS A 55 10.350 6.133 -1.635 1.00 60.51 N ATOM 0 H LYS A 55 3.991 3.330 -1.866 1.00 63.31 H new ATOM 0 HA LYS A 55 5.144 5.298 -0.244 1.00 11.11 H new ATOM 0 HB2 LYS A 55 6.463 3.453 -1.059 1.00 23.31 H new ATOM 0 HB3 LYS A 55 6.070 3.806 -2.730 1.00 23.31 H new ATOM 0 HG2 LYS A 55 7.411 5.901 -2.618 1.00 62.10 H new ATOM 0 HG3 LYS A 55 7.779 5.589 -0.933 1.00 62.10 H new ATOM 0 HD2 LYS A 55 9.086 3.609 -1.494 1.00 72.13 H new ATOM 0 HD3 LYS A 55 8.531 3.635 -3.156 1.00 72.13 H new ATOM 0 HE2 LYS A 55 10.861 4.518 -2.903 1.00 54.14 H new ATOM 0 HE3 LYS A 55 9.769 5.687 -3.620 1.00 54.14 H new ATOM 0 HZ1 LYS A 55 11.383 6.165 -1.521 1.00 60.51 H new ATOM 0 HZ2 LYS A 55 10.002 7.075 -1.903 1.00 60.51 H new ATOM 0 HZ3 LYS A 55 9.911 5.844 -0.737 1.00 60.51 H new ATOM 886 N LYS A 56 4.432 6.238 -3.361 1.00 73.21 N ATOM 887 CA LYS A 56 4.330 7.369 -4.314 1.00 34.24 C ATOM 888 C LYS A 56 3.496 8.530 -3.748 1.00 70.11 C ATOM 889 O LYS A 56 3.849 9.700 -3.950 1.00 42.54 O ATOM 890 CB LYS A 56 3.709 6.882 -5.653 1.00 44.32 C ATOM 891 CG LYS A 56 3.571 7.971 -6.742 1.00 62.32 C ATOM 892 CD LYS A 56 2.816 7.461 -7.991 1.00 70.40 C ATOM 893 CE LYS A 56 2.625 8.555 -9.053 1.00 60.51 C ATOM 894 NZ LYS A 56 1.946 8.036 -10.271 1.00 53.51 N ATOM 0 H LYS A 56 4.111 5.352 -3.752 1.00 73.21 H new ATOM 0 HA LYS A 56 5.340 7.740 -4.487 1.00 34.24 H new ATOM 0 HB2 LYS A 56 4.322 6.071 -6.047 1.00 44.32 H new ATOM 0 HB3 LYS A 56 2.722 6.466 -5.449 1.00 44.32 H new ATOM 0 HG2 LYS A 56 3.044 8.831 -6.328 1.00 62.32 H new ATOM 0 HG3 LYS A 56 4.563 8.316 -7.035 1.00 62.32 H new ATOM 0 HD2 LYS A 56 3.366 6.627 -8.428 1.00 70.40 H new ATOM 0 HD3 LYS A 56 1.841 7.077 -7.690 1.00 70.40 H new ATOM 0 HE2 LYS A 56 2.039 9.372 -8.631 1.00 60.51 H new ATOM 0 HE3 LYS A 56 3.596 8.968 -9.327 1.00 60.51 H new ATOM 0 HZ1 LYS A 56 1.837 8.805 -10.962 1.00 53.51 H new ATOM 0 HZ2 LYS A 56 2.517 7.274 -10.689 1.00 53.51 H new ATOM 0 HZ3 LYS A 56 1.009 7.665 -10.015 1.00 53.51 H new ATOM 908 N VAL A 57 2.400 8.189 -3.036 1.00 52.13 N ATOM 909 CA VAL A 57 1.535 9.191 -2.400 1.00 42.35 C ATOM 910 C VAL A 57 2.338 9.940 -1.315 1.00 1.11 C ATOM 911 O VAL A 57 2.505 11.154 -1.398 1.00 45.21 O ATOM 912 CB VAL A 57 0.241 8.557 -1.761 1.00 72.25 C ATOM 913 CG1 VAL A 57 -0.657 9.655 -1.164 1.00 5.22 C ATOM 914 CG2 VAL A 57 -0.556 7.711 -2.777 1.00 75.31 C ATOM 0 H VAL A 57 2.098 7.226 -2.891 1.00 52.13 H new ATOM 0 HA VAL A 57 1.203 9.880 -3.177 1.00 42.35 H new ATOM 0 HB VAL A 57 0.569 7.888 -0.965 1.00 72.25 H new ATOM 0 HG11 VAL A 57 -1.546 9.200 -0.727 1.00 5.22 H new ATOM 0 HG12 VAL A 57 -0.108 10.194 -0.392 1.00 5.22 H new ATOM 0 HG13 VAL A 57 -0.954 10.350 -1.950 1.00 5.22 H new ATOM 0 HG21 VAL A 57 -1.438 7.295 -2.291 1.00 75.31 H new ATOM 0 HG22 VAL A 57 -0.864 8.340 -3.612 1.00 75.31 H new ATOM 0 HG23 VAL A 57 0.071 6.900 -3.146 1.00 75.31 H new ATOM 924 N PHE A 58 2.903 9.170 -0.365 1.00 62.32 N ATOM 925 CA PHE A 58 3.701 9.716 0.762 1.00 54.41 C ATOM 926 C PHE A 58 4.977 10.436 0.278 1.00 2.44 C ATOM 927 O PHE A 58 5.431 11.389 0.896 1.00 2.13 O ATOM 928 CB PHE A 58 4.107 8.587 1.745 1.00 54.24 C ATOM 929 CG PHE A 58 2.951 7.917 2.479 1.00 61.44 C ATOM 930 CD1 PHE A 58 2.157 8.636 3.364 1.00 30.11 C ATOM 931 CD2 PHE A 58 2.681 6.557 2.313 1.00 13.33 C ATOM 932 CE1 PHE A 58 1.129 8.023 4.051 1.00 64.33 C ATOM 933 CE2 PHE A 58 1.659 5.945 3.001 1.00 62.03 C ATOM 934 CZ PHE A 58 0.883 6.678 3.872 1.00 73.43 C ATOM 0 H PHE A 58 2.822 8.153 -0.353 1.00 62.32 H new ATOM 0 HA PHE A 58 3.065 10.442 1.268 1.00 54.41 H new ATOM 0 HB2 PHE A 58 4.655 7.825 1.191 1.00 54.24 H new ATOM 0 HB3 PHE A 58 4.794 9.000 2.483 1.00 54.24 H new ATOM 0 HD1 PHE A 58 2.347 9.688 3.516 1.00 30.11 H new ATOM 0 HD2 PHE A 58 3.285 5.975 1.632 1.00 13.33 H new ATOM 0 HE1 PHE A 58 0.516 8.598 4.730 1.00 64.33 H new ATOM 0 HE2 PHE A 58 1.465 4.892 2.859 1.00 62.03 H new ATOM 0 HZ PHE A 58 0.082 6.199 4.415 1.00 73.43 H new ATOM 944 N ASP A 59 5.517 9.973 -0.849 1.00 10.43 N ATOM 945 CA ASP A 59 6.807 10.434 -1.398 1.00 71.45 C ATOM 946 C ASP A 59 6.621 11.805 -2.054 1.00 72.22 C ATOM 947 O ASP A 59 7.497 12.672 -1.966 1.00 32.13 O ATOM 948 CB ASP A 59 7.346 9.391 -2.421 1.00 60.41 C ATOM 949 CG ASP A 59 8.835 9.575 -2.762 1.00 44.24 C ATOM 950 OD1 ASP A 59 9.164 10.342 -3.692 1.00 75.15 O ATOM 951 OD2 ASP A 59 9.681 8.937 -2.098 1.00 22.25 O ATOM 0 H ASP A 59 5.070 9.256 -1.420 1.00 10.43 H new ATOM 0 HA ASP A 59 7.538 10.532 -0.595 1.00 71.45 H new ATOM 0 HB2 ASP A 59 7.195 8.389 -2.019 1.00 60.41 H new ATOM 0 HB3 ASP A 59 6.761 9.458 -3.338 1.00 60.41 H new ATOM 956 N ALA A 60 5.450 11.986 -2.695 1.00 72.13 N ATOM 957 CA ALA A 60 5.043 13.260 -3.305 1.00 71.40 C ATOM 958 C ALA A 60 4.586 14.262 -2.235 1.00 53.55 C ATOM 959 O ALA A 60 4.741 15.473 -2.413 1.00 5.01 O ATOM 960 CB ALA A 60 3.943 13.023 -4.350 1.00 33.13 C ATOM 0 H ALA A 60 4.757 11.245 -2.803 1.00 72.13 H new ATOM 0 HA ALA A 60 5.907 13.692 -3.810 1.00 71.40 H new ATOM 0 HB1 ALA A 60 3.651 13.975 -4.794 1.00 33.13 H new ATOM 0 HB2 ALA A 60 4.318 12.359 -5.129 1.00 33.13 H new ATOM 0 HB3 ALA A 60 3.078 12.566 -3.870 1.00 33.13 H new ATOM 966 N GLU A 61 4.019 13.745 -1.120 1.00 55.24 N ATOM 967 CA GLU A 61 3.676 14.562 0.068 1.00 44.42 C ATOM 968 C GLU A 61 4.940 14.857 0.908 1.00 61.11 C ATOM 969 O GLU A 61 4.921 15.733 1.779 1.00 51.23 O ATOM 970 CB GLU A 61 2.615 13.831 0.948 1.00 41.43 C ATOM 971 CG GLU A 61 1.283 13.510 0.238 1.00 33.55 C ATOM 972 CD GLU A 61 0.543 14.751 -0.282 1.00 20.53 C ATOM 973 OE1 GLU A 61 -0.216 15.372 0.493 1.00 0.14 O ATOM 974 OE2 GLU A 61 0.712 15.126 -1.460 1.00 4.41 O ATOM 0 H GLU A 61 3.788 12.757 -1.018 1.00 55.24 H new ATOM 0 HA GLU A 61 3.256 15.506 -0.280 1.00 44.42 H new ATOM 0 HB2 GLU A 61 3.048 12.899 1.313 1.00 41.43 H new ATOM 0 HB3 GLU A 61 2.404 14.448 1.822 1.00 41.43 H new ATOM 0 HG2 GLU A 61 1.480 12.839 -0.598 1.00 33.55 H new ATOM 0 HG3 GLU A 61 0.633 12.974 0.930 1.00 33.55 H new ATOM 981 N HIS A 62 6.030 14.107 0.611 1.00 55.33 N ATOM 982 CA HIS A 62 7.320 14.170 1.323 1.00 1.44 C ATOM 983 C HIS A 62 7.182 13.766 2.805 1.00 72.24 C ATOM 984 O HIS A 62 7.946 14.213 3.661 1.00 34.34 O ATOM 985 CB HIS A 62 8.002 15.558 1.136 1.00 12.55 C ATOM 986 CG HIS A 62 8.427 15.851 -0.283 1.00 21.45 C ATOM 987 ND1 HIS A 62 8.097 17.010 -0.949 1.00 3.55 N ATOM 988 CD2 HIS A 62 9.145 15.113 -1.163 1.00 13.51 C ATOM 989 CE1 HIS A 62 8.611 16.976 -2.162 1.00 75.01 C ATOM 990 NE2 HIS A 62 9.248 15.840 -2.317 1.00 11.42 N ATOM 0 H HIS A 62 6.031 13.427 -0.149 1.00 55.33 H new ATOM 0 HA HIS A 62 7.983 13.432 0.872 1.00 1.44 H new ATOM 0 HB2 HIS A 62 7.314 16.336 1.466 1.00 12.55 H new ATOM 0 HB3 HIS A 62 8.877 15.611 1.784 1.00 12.55 H new ATOM 0 HD2 HIS A 62 9.560 14.132 -0.986 1.00 13.51 H new ATOM 0 HE1 HIS A 62 8.522 17.755 -2.905 1.00 75.01 H new ATOM 0 HE2 HIS A 62 9.740 15.546 -3.161 1.00 11.42 H new ATOM 999 N ASP A 63 6.213 12.878 3.072 1.00 61.30 N ATOM 1000 CA ASP A 63 6.121 12.132 4.327 1.00 14.44 C ATOM 1001 C ASP A 63 7.083 10.942 4.215 1.00 52.23 C ATOM 1002 O ASP A 63 6.751 9.900 3.630 1.00 10.11 O ATOM 1003 CB ASP A 63 4.665 11.651 4.596 1.00 53.24 C ATOM 1004 CG ASP A 63 4.546 10.806 5.882 1.00 62.23 C ATOM 1005 OD1 ASP A 63 4.721 11.356 6.986 1.00 10.35 O ATOM 1006 OD2 ASP A 63 4.289 9.597 5.802 1.00 54.43 O ATOM 0 H ASP A 63 5.466 12.658 2.413 1.00 61.30 H new ATOM 0 HA ASP A 63 6.393 12.770 5.168 1.00 14.44 H new ATOM 0 HB2 ASP A 63 4.009 12.518 4.673 1.00 53.24 H new ATOM 0 HB3 ASP A 63 4.318 11.063 3.746 1.00 53.24 H new ATOM 1011 N THR A 64 8.307 11.155 4.719 1.00 24.12 N ATOM 1012 CA THR A 64 9.420 10.208 4.564 1.00 22.54 C ATOM 1013 C THR A 64 9.134 8.875 5.265 1.00 12.23 C ATOM 1014 O THR A 64 9.467 7.828 4.731 1.00 13.23 O ATOM 1015 CB THR A 64 10.782 10.820 5.065 1.00 50.34 C ATOM 1016 OG1 THR A 64 11.844 9.849 4.965 1.00 34.23 O ATOM 1017 CG2 THR A 64 10.709 11.340 6.509 1.00 75.31 C ATOM 0 H THR A 64 8.553 11.992 5.247 1.00 24.12 H new ATOM 0 HA THR A 64 9.516 10.010 3.496 1.00 22.54 H new ATOM 0 HB THR A 64 10.989 11.671 4.415 1.00 50.34 H new ATOM 0 HG1 THR A 64 12.682 10.248 5.279 1.00 34.23 H new ATOM 0 HG21 THR A 64 11.677 11.750 6.798 1.00 75.31 H new ATOM 0 HG22 THR A 64 9.950 12.120 6.577 1.00 75.31 H new ATOM 0 HG23 THR A 64 10.448 10.520 7.178 1.00 75.31 H new ATOM 1025 N ASP A 65 8.466 8.929 6.435 1.00 64.22 N ATOM 1026 CA ASP A 65 8.190 7.735 7.265 1.00 12.23 C ATOM 1027 C ASP A 65 7.229 6.776 6.550 1.00 21.54 C ATOM 1028 O ASP A 65 7.432 5.563 6.578 1.00 22.42 O ATOM 1029 CB ASP A 65 7.614 8.140 8.649 1.00 53.53 C ATOM 1030 CG ASP A 65 8.555 9.069 9.433 1.00 42.13 C ATOM 1031 OD1 ASP A 65 9.481 8.573 10.107 1.00 51.13 O ATOM 1032 OD2 ASP A 65 8.389 10.304 9.361 1.00 23.11 O ATOM 0 H ASP A 65 8.104 9.796 6.831 1.00 64.22 H new ATOM 0 HA ASP A 65 9.137 7.218 7.423 1.00 12.23 H new ATOM 0 HB2 ASP A 65 6.654 8.637 8.507 1.00 53.53 H new ATOM 0 HB3 ASP A 65 7.424 7.242 9.236 1.00 53.53 H new ATOM 1037 N GLY A 66 6.198 7.346 5.904 1.00 2.43 N ATOM 1038 CA GLY A 66 5.224 6.573 5.135 1.00 54.04 C ATOM 1039 C GLY A 66 5.825 5.962 3.889 1.00 34.43 C ATOM 1040 O GLY A 66 5.523 4.813 3.531 1.00 3.32 O ATOM 0 H GLY A 66 6.022 8.351 5.903 1.00 2.43 H new ATOM 0 HA2 GLY A 66 4.815 5.782 5.763 1.00 54.04 H new ATOM 0 HA3 GLY A 66 4.392 7.219 4.854 1.00 54.04 H new ATOM 1044 N ALA A 67 6.684 6.755 3.226 1.00 22.43 N ATOM 1045 CA ALA A 67 7.464 6.303 2.069 1.00 53.40 C ATOM 1046 C ALA A 67 8.410 5.156 2.473 1.00 54.05 C ATOM 1047 O ALA A 67 8.617 4.228 1.694 1.00 41.54 O ATOM 1048 CB ALA A 67 8.243 7.475 1.450 1.00 21.04 C ATOM 0 H ALA A 67 6.855 7.728 3.480 1.00 22.43 H new ATOM 0 HA ALA A 67 6.777 5.923 1.313 1.00 53.40 H new ATOM 0 HB1 ALA A 67 8.815 7.119 0.593 1.00 21.04 H new ATOM 0 HB2 ALA A 67 7.544 8.245 1.125 1.00 21.04 H new ATOM 0 HB3 ALA A 67 8.923 7.892 2.193 1.00 21.04 H new ATOM 1054 N ARG A 68 8.951 5.234 3.711 1.00 51.00 N ATOM 1055 CA ARG A 68 9.852 4.209 4.290 1.00 12.12 C ATOM 1056 C ARG A 68 9.099 2.917 4.626 1.00 21.31 C ATOM 1057 O ARG A 68 9.700 1.851 4.581 1.00 21.25 O ATOM 1058 CB ARG A 68 10.563 4.727 5.577 1.00 63.52 C ATOM 1059 CG ARG A 68 11.668 5.774 5.330 1.00 32.03 C ATOM 1060 CD ARG A 68 12.307 6.268 6.638 1.00 4.35 C ATOM 1061 NE ARG A 68 12.970 5.177 7.368 1.00 74.52 N ATOM 1062 CZ ARG A 68 13.321 5.202 8.665 1.00 24.13 C ATOM 1063 NH1 ARG A 68 13.083 6.275 9.424 1.00 35.20 N ATOM 1064 NH2 ARG A 68 13.927 4.150 9.191 1.00 0.24 N ATOM 0 H ARG A 68 8.773 6.016 4.341 1.00 51.00 H new ATOM 0 HA ARG A 68 10.602 3.998 3.527 1.00 12.12 H new ATOM 0 HB2 ARG A 68 9.814 5.160 6.240 1.00 63.52 H new ATOM 0 HB3 ARG A 68 10.999 3.877 6.101 1.00 63.52 H new ATOM 0 HG2 ARG A 68 12.439 5.342 4.692 1.00 32.03 H new ATOM 0 HG3 ARG A 68 11.247 6.623 4.791 1.00 32.03 H new ATOM 0 HD2 ARG A 68 13.033 7.050 6.415 1.00 4.35 H new ATOM 0 HD3 ARG A 68 11.540 6.715 7.271 1.00 4.35 H new ATOM 0 HE ARG A 68 13.182 4.328 6.844 1.00 74.52 H new ATOM 0 HH11 ARG A 68 12.628 7.094 9.021 1.00 35.20 H new ATOM 0 HH12 ARG A 68 13.357 6.275 10.407 1.00 35.20 H new ATOM 0 HH21 ARG A 68 14.123 3.332 8.613 1.00 0.24 H new ATOM 0 HH22 ARG A 68 14.199 4.157 10.174 1.00 0.24 H new ATOM 1078 N ARG A 69 7.809 3.033 5.015 1.00 71.11 N ATOM 1079 CA ARG A 69 6.950 1.855 5.298 1.00 75.24 C ATOM 1080 C ARG A 69 6.902 0.958 4.060 1.00 60.53 C ATOM 1081 O ARG A 69 7.239 -0.231 4.112 1.00 4.21 O ATOM 1082 CB ARG A 69 5.493 2.279 5.656 1.00 54.23 C ATOM 1083 CG ARG A 69 5.353 3.202 6.871 1.00 41.54 C ATOM 1084 CD ARG A 69 3.903 3.698 7.068 1.00 71.22 C ATOM 1085 NE ARG A 69 3.812 4.748 8.092 1.00 73.34 N ATOM 1086 CZ ARG A 69 3.271 4.606 9.309 1.00 4.02 C ATOM 1087 NH1 ARG A 69 2.760 3.442 9.702 1.00 12.13 N ATOM 1088 NH2 ARG A 69 3.218 5.647 10.122 1.00 44.22 N ATOM 0 H ARG A 69 7.338 3.929 5.141 1.00 71.11 H new ATOM 0 HA ARG A 69 7.378 1.326 6.149 1.00 75.24 H new ATOM 0 HB2 ARG A 69 5.056 2.777 4.791 1.00 54.23 H new ATOM 0 HB3 ARG A 69 4.905 1.379 5.836 1.00 54.23 H new ATOM 0 HG2 ARG A 69 5.678 2.672 7.766 1.00 41.54 H new ATOM 0 HG3 ARG A 69 6.015 4.060 6.751 1.00 41.54 H new ATOM 0 HD2 ARG A 69 3.520 4.081 6.122 1.00 71.22 H new ATOM 0 HD3 ARG A 69 3.269 2.859 7.353 1.00 71.22 H new ATOM 0 HE ARG A 69 4.194 5.664 7.856 1.00 73.34 H new ATOM 0 HH11 ARG A 69 2.776 2.639 9.073 1.00 12.13 H new ATOM 0 HH12 ARG A 69 2.352 3.352 10.633 1.00 12.13 H new ATOM 0 HH21 ARG A 69 3.587 6.549 9.821 1.00 44.22 H new ATOM 0 HH22 ARG A 69 2.808 5.548 11.051 1.00 44.22 H new ATOM 1102 N ALA A 70 6.526 1.593 2.938 1.00 51.41 N ATOM 1103 CA ALA A 70 6.298 0.929 1.658 1.00 72.10 C ATOM 1104 C ALA A 70 7.613 0.557 0.963 1.00 22.41 C ATOM 1105 O ALA A 70 7.665 -0.475 0.310 1.00 71.52 O ATOM 1106 CB ALA A 70 5.419 1.810 0.770 1.00 0.34 C ATOM 0 H ALA A 70 6.371 2.600 2.901 1.00 51.41 H new ATOM 0 HA ALA A 70 5.776 -0.009 1.845 1.00 72.10 H new ATOM 0 HB1 ALA A 70 5.251 1.311 -0.185 1.00 0.34 H new ATOM 0 HB2 ALA A 70 4.462 1.983 1.263 1.00 0.34 H new ATOM 0 HB3 ALA A 70 5.917 2.764 0.598 1.00 0.34 H new ATOM 1112 N ALA A 71 8.672 1.388 1.129 1.00 72.14 N ATOM 1113 CA ALA A 71 9.997 1.138 0.502 1.00 11.32 C ATOM 1114 C ALA A 71 10.750 0.001 1.217 1.00 74.11 C ATOM 1115 O ALA A 71 11.474 -0.764 0.572 1.00 64.15 O ATOM 1116 CB ALA A 71 10.855 2.410 0.485 1.00 3.51 C ATOM 0 H ALA A 71 8.635 2.238 1.692 1.00 72.14 H new ATOM 0 HA ALA A 71 9.812 0.833 -0.528 1.00 11.32 H new ATOM 0 HB1 ALA A 71 11.817 2.194 0.020 1.00 3.51 H new ATOM 0 HB2 ALA A 71 10.344 3.186 -0.084 1.00 3.51 H new ATOM 0 HB3 ALA A 71 11.015 2.755 1.507 1.00 3.51 H new ATOM 1122 N LYS A 72 10.591 -0.074 2.555 1.00 31.44 N ATOM 1123 CA LYS A 72 11.110 -1.197 3.369 1.00 4.50 C ATOM 1124 C LYS A 72 10.379 -2.485 2.976 1.00 1.42 C ATOM 1125 O LYS A 72 11.006 -3.531 2.759 1.00 30.34 O ATOM 1126 CB LYS A 72 10.901 -0.925 4.881 1.00 24.33 C ATOM 1127 CG LYS A 72 11.461 -2.019 5.833 1.00 22.24 C ATOM 1128 CD LYS A 72 10.980 -1.842 7.294 1.00 3.22 C ATOM 1129 CE LYS A 72 9.462 -2.027 7.445 1.00 34.11 C ATOM 1130 NZ LYS A 72 9.019 -3.387 7.021 1.00 31.01 N ATOM 0 H LYS A 72 10.103 0.637 3.100 1.00 31.44 H new ATOM 0 HA LYS A 72 12.179 -1.300 3.181 1.00 4.50 H new ATOM 0 HB2 LYS A 72 11.370 0.027 5.131 1.00 24.33 H new ATOM 0 HB3 LYS A 72 9.833 -0.813 5.070 1.00 24.33 H new ATOM 0 HG2 LYS A 72 11.156 -3.001 5.471 1.00 22.24 H new ATOM 0 HG3 LYS A 72 12.550 -1.994 5.808 1.00 22.24 H new ATOM 0 HD2 LYS A 72 11.495 -2.561 7.931 1.00 3.22 H new ATOM 0 HD3 LYS A 72 11.258 -0.848 7.646 1.00 3.22 H new ATOM 0 HE2 LYS A 72 9.178 -1.861 8.484 1.00 34.11 H new ATOM 0 HE3 LYS A 72 8.944 -1.275 6.849 1.00 34.11 H new ATOM 0 HZ1 LYS A 72 8.004 -3.499 7.218 1.00 31.01 H new ATOM 0 HZ2 LYS A 72 9.189 -3.505 6.002 1.00 31.01 H new ATOM 0 HZ3 LYS A 72 9.555 -4.106 7.547 1.00 31.01 H new ATOM 1144 N SER A 73 9.038 -2.361 2.867 1.00 70.10 N ATOM 1145 CA SER A 73 8.148 -3.458 2.477 1.00 23.05 C ATOM 1146 C SER A 73 8.410 -3.886 1.020 1.00 72.30 C ATOM 1147 O SER A 73 8.161 -5.032 0.669 1.00 71.22 O ATOM 1148 CB SER A 73 6.673 -3.056 2.677 1.00 63.43 C ATOM 1149 OG SER A 73 5.809 -4.162 2.506 1.00 22.34 O ATOM 0 H SER A 73 8.546 -1.486 3.050 1.00 70.10 H new ATOM 0 HA SER A 73 8.358 -4.313 3.120 1.00 23.05 H new ATOM 0 HB2 SER A 73 6.540 -2.640 3.675 1.00 63.43 H new ATOM 0 HB3 SER A 73 6.408 -2.272 1.967 1.00 63.43 H new ATOM 0 HG SER A 73 5.261 -4.028 1.705 1.00 22.34 H new ATOM 1155 N LEU A 74 8.881 -2.943 0.184 1.00 3.12 N ATOM 1156 CA LEU A 74 9.298 -3.216 -1.203 1.00 32.52 C ATOM 1157 C LEU A 74 10.601 -3.999 -1.231 1.00 1.00 C ATOM 1158 O LEU A 74 10.700 -4.990 -1.942 1.00 51.35 O ATOM 1159 CB LEU A 74 9.434 -1.886 -2.014 1.00 63.23 C ATOM 1160 CG LEU A 74 8.117 -1.399 -2.673 1.00 71.33 C ATOM 1161 CD1 LEU A 74 8.193 0.052 -3.154 1.00 21.41 C ATOM 1162 CD2 LEU A 74 7.713 -2.347 -3.813 1.00 62.52 C ATOM 0 H LEU A 74 8.983 -1.965 0.454 1.00 3.12 H new ATOM 0 HA LEU A 74 8.526 -3.824 -1.675 1.00 32.52 H new ATOM 0 HB2 LEU A 74 9.803 -1.105 -1.349 1.00 63.23 H new ATOM 0 HB3 LEU A 74 10.185 -2.024 -2.791 1.00 63.23 H new ATOM 0 HG LEU A 74 7.344 -1.420 -1.905 1.00 71.33 H new ATOM 0 HD11 LEU A 74 7.243 0.336 -3.606 1.00 21.41 H new ATOM 0 HD12 LEU A 74 8.402 0.706 -2.307 1.00 21.41 H new ATOM 0 HD13 LEU A 74 8.989 0.149 -3.892 1.00 21.41 H new ATOM 0 HD21 LEU A 74 6.787 -1.995 -4.268 1.00 62.52 H new ATOM 0 HD22 LEU A 74 8.502 -2.369 -4.565 1.00 62.52 H new ATOM 0 HD23 LEU A 74 7.563 -3.351 -3.416 1.00 62.52 H new ATOM 1174 N SER A 75 11.582 -3.547 -0.438 1.00 30.13 N ATOM 1175 CA SER A 75 12.931 -4.142 -0.387 1.00 1.31 C ATOM 1176 C SER A 75 12.858 -5.642 -0.021 1.00 5.22 C ATOM 1177 O SER A 75 13.481 -6.481 -0.681 1.00 25.45 O ATOM 1178 CB SER A 75 13.794 -3.358 0.626 1.00 72.31 C ATOM 1179 OG SER A 75 15.135 -3.822 0.656 1.00 24.15 O ATOM 0 H SER A 75 11.464 -2.753 0.192 1.00 30.13 H new ATOM 0 HA SER A 75 13.393 -4.074 -1.372 1.00 1.31 H new ATOM 0 HB2 SER A 75 13.783 -2.299 0.368 1.00 72.31 H new ATOM 0 HB3 SER A 75 13.357 -3.448 1.620 1.00 72.31 H new ATOM 0 HG SER A 75 15.648 -3.299 1.308 1.00 24.15 H new ATOM 1185 N GLU A 76 12.040 -5.948 1.001 1.00 51.31 N ATOM 1186 CA GLU A 76 11.797 -7.327 1.467 1.00 53.44 C ATOM 1187 C GLU A 76 10.874 -8.104 0.482 1.00 4.14 C ATOM 1188 O GLU A 76 10.974 -9.332 0.380 1.00 15.01 O ATOM 1189 CB GLU A 76 11.203 -7.302 2.907 1.00 54.01 C ATOM 1190 CG GLU A 76 9.861 -6.565 3.014 1.00 40.13 C ATOM 1191 CD GLU A 76 9.301 -6.451 4.442 1.00 73.45 C ATOM 1192 OE1 GLU A 76 8.621 -7.387 4.903 1.00 32.53 O ATOM 1193 OE2 GLU A 76 9.539 -5.418 5.111 1.00 61.02 O ATOM 0 H GLU A 76 11.526 -5.244 1.530 1.00 51.31 H new ATOM 0 HA GLU A 76 12.748 -7.858 1.495 1.00 53.44 H new ATOM 0 HB2 GLU A 76 11.072 -8.327 3.253 1.00 54.01 H new ATOM 0 HB3 GLU A 76 11.921 -6.829 3.577 1.00 54.01 H new ATOM 0 HG2 GLU A 76 9.979 -5.562 2.604 1.00 40.13 H new ATOM 0 HG3 GLU A 76 9.129 -7.080 2.392 1.00 40.13 H new ATOM 1200 N ALA A 77 9.988 -7.373 -0.244 1.00 10.00 N ATOM 1201 CA ALA A 77 9.078 -7.962 -1.258 1.00 32.44 C ATOM 1202 C ALA A 77 9.863 -8.428 -2.496 1.00 74.33 C ATOM 1203 O ALA A 77 9.579 -9.499 -3.043 1.00 12.32 O ATOM 1204 CB ALA A 77 7.985 -6.956 -1.674 1.00 4.22 C ATOM 0 H ALA A 77 9.886 -6.363 -0.142 1.00 10.00 H new ATOM 0 HA ALA A 77 8.596 -8.828 -0.804 1.00 32.44 H new ATOM 0 HB1 ALA A 77 7.333 -7.414 -2.418 1.00 4.22 H new ATOM 0 HB2 ALA A 77 7.398 -6.675 -0.800 1.00 4.22 H new ATOM 0 HB3 ALA A 77 8.451 -6.067 -2.099 1.00 4.22 H new ATOM 1210 N TYR A 78 10.857 -7.619 -2.915 1.00 20.13 N ATOM 1211 CA TYR A 78 11.724 -7.940 -4.054 1.00 40.03 C ATOM 1212 C TYR A 78 12.525 -9.209 -3.762 1.00 62.32 C ATOM 1213 O TYR A 78 12.659 -10.044 -4.635 1.00 2.30 O ATOM 1214 CB TYR A 78 12.673 -6.755 -4.419 1.00 34.14 C ATOM 1215 CG TYR A 78 11.979 -5.595 -5.156 1.00 3.23 C ATOM 1216 CD1 TYR A 78 11.406 -5.793 -6.412 1.00 40.45 C ATOM 1217 CD2 TYR A 78 11.875 -4.319 -4.593 1.00 10.35 C ATOM 1218 CE1 TYR A 78 10.758 -4.768 -7.074 1.00 54.31 C ATOM 1219 CE2 TYR A 78 11.222 -3.294 -5.249 1.00 63.24 C ATOM 1220 CZ TYR A 78 10.663 -3.522 -6.485 1.00 33.02 C ATOM 1221 OH TYR A 78 10.002 -2.503 -7.138 1.00 41.22 O ATOM 0 H TYR A 78 11.077 -6.728 -2.471 1.00 20.13 H new ATOM 0 HA TYR A 78 11.086 -8.114 -4.920 1.00 40.03 H new ATOM 0 HB2 TYR A 78 13.125 -6.371 -3.504 1.00 34.14 H new ATOM 0 HB3 TYR A 78 13.484 -7.132 -5.041 1.00 34.14 H new ATOM 0 HD1 TYR A 78 11.470 -6.766 -6.876 1.00 40.45 H new ATOM 0 HD2 TYR A 78 12.315 -4.131 -3.625 1.00 10.35 H new ATOM 0 HE1 TYR A 78 10.327 -4.940 -8.049 1.00 54.31 H new ATOM 0 HE2 TYR A 78 11.151 -2.317 -4.793 1.00 63.24 H new ATOM 0 HH TYR A 78 10.025 -1.693 -6.587 1.00 41.22 H new ATOM 1231 N GLN A 79 12.988 -9.358 -2.506 1.00 21.51 N ATOM 1232 CA GLN A 79 13.736 -10.553 -2.045 1.00 52.12 C ATOM 1233 C GLN A 79 12.911 -11.853 -2.217 1.00 42.31 C ATOM 1234 O GLN A 79 13.471 -12.932 -2.442 1.00 75.13 O ATOM 1235 CB GLN A 79 14.167 -10.348 -0.565 1.00 55.11 C ATOM 1236 CG GLN A 79 15.140 -9.163 -0.362 1.00 12.14 C ATOM 1237 CD GLN A 79 15.348 -8.774 1.106 1.00 53.12 C ATOM 1238 OE1 GLN A 79 15.267 -9.610 2.002 1.00 63.33 O ATOM 1239 NE2 GLN A 79 15.590 -7.495 1.362 1.00 53.24 N ATOM 0 H GLN A 79 12.856 -8.655 -1.779 1.00 21.51 H new ATOM 0 HA GLN A 79 14.625 -10.668 -2.665 1.00 52.12 H new ATOM 0 HB2 GLN A 79 13.278 -10.186 0.044 1.00 55.11 H new ATOM 0 HB3 GLN A 79 14.639 -11.261 -0.203 1.00 55.11 H new ATOM 0 HG2 GLN A 79 16.105 -9.419 -0.800 1.00 12.14 H new ATOM 0 HG3 GLN A 79 14.762 -8.298 -0.907 1.00 12.14 H new ATOM 0 HE21 GLN A 79 15.652 -6.824 0.596 1.00 53.24 H new ATOM 0 HE22 GLN A 79 15.715 -7.182 2.325 1.00 53.24 H new ATOM 1248 N LYS A 80 11.574 -11.727 -2.134 1.00 64.54 N ATOM 1249 CA LYS A 80 10.631 -12.848 -2.359 1.00 45.13 C ATOM 1250 C LYS A 80 10.453 -13.140 -3.868 1.00 5.02 C ATOM 1251 O LYS A 80 10.170 -14.273 -4.265 1.00 72.33 O ATOM 1252 CB LYS A 80 9.257 -12.511 -1.710 1.00 32.12 C ATOM 1253 CG LYS A 80 9.337 -12.241 -0.186 1.00 54.22 C ATOM 1254 CD LYS A 80 7.973 -11.850 0.432 1.00 62.03 C ATOM 1255 CE LYS A 80 8.079 -11.561 1.939 1.00 34.22 C ATOM 1256 NZ LYS A 80 6.775 -11.143 2.522 1.00 3.33 N ATOM 0 H LYS A 80 11.112 -10.846 -1.909 1.00 64.54 H new ATOM 0 HA LYS A 80 11.044 -13.744 -1.895 1.00 45.13 H new ATOM 0 HB2 LYS A 80 8.837 -11.635 -2.204 1.00 32.12 H new ATOM 0 HB3 LYS A 80 8.569 -13.337 -1.888 1.00 32.12 H new ATOM 0 HG2 LYS A 80 9.715 -13.132 0.316 1.00 54.22 H new ATOM 0 HG3 LYS A 80 10.055 -11.442 -0.001 1.00 54.22 H new ATOM 0 HD2 LYS A 80 7.584 -10.969 -0.079 1.00 62.03 H new ATOM 0 HD3 LYS A 80 7.257 -12.656 0.268 1.00 62.03 H new ATOM 0 HE2 LYS A 80 8.437 -12.452 2.454 1.00 34.22 H new ATOM 0 HE3 LYS A 80 8.818 -10.778 2.106 1.00 34.22 H new ATOM 0 HZ1 LYS A 80 6.914 -10.301 3.116 1.00 3.33 H new ATOM 0 HZ2 LYS A 80 6.108 -10.920 1.756 1.00 3.33 H new ATOM 0 HZ3 LYS A 80 6.390 -11.916 3.102 1.00 3.33 H new ATOM 1270 N VAL A 81 10.612 -12.095 -4.695 1.00 20.12 N ATOM 1271 CA VAL A 81 10.412 -12.156 -6.170 1.00 63.43 C ATOM 1272 C VAL A 81 11.751 -12.416 -6.921 1.00 11.02 C ATOM 1273 O VAL A 81 11.746 -12.867 -8.077 1.00 4.13 O ATOM 1274 CB VAL A 81 9.726 -10.811 -6.662 1.00 73.33 C ATOM 1275 CG1 VAL A 81 9.516 -10.744 -8.197 1.00 21.50 C ATOM 1276 CG2 VAL A 81 8.382 -10.602 -5.931 1.00 35.03 C ATOM 0 H VAL A 81 10.886 -11.170 -4.365 1.00 20.12 H new ATOM 0 HA VAL A 81 9.757 -12.996 -6.401 1.00 63.43 H new ATOM 0 HB VAL A 81 10.417 -10.006 -6.413 1.00 73.33 H new ATOM 0 HG11 VAL A 81 9.043 -9.797 -8.459 1.00 21.50 H new ATOM 0 HG12 VAL A 81 10.480 -10.819 -8.700 1.00 21.50 H new ATOM 0 HG13 VAL A 81 8.877 -11.568 -8.513 1.00 21.50 H new ATOM 0 HG21 VAL A 81 7.920 -9.677 -6.276 1.00 35.03 H new ATOM 0 HG22 VAL A 81 7.718 -11.440 -6.143 1.00 35.03 H new ATOM 0 HG23 VAL A 81 8.558 -10.541 -4.857 1.00 35.03 H new ATOM 1286 N GLU A 82 12.892 -12.177 -6.241 1.00 62.14 N ATOM 1287 CA GLU A 82 14.236 -12.340 -6.840 1.00 63.31 C ATOM 1288 C GLU A 82 14.590 -13.830 -6.947 1.00 11.42 C ATOM 1289 O GLU A 82 14.900 -14.484 -5.942 1.00 5.21 O ATOM 1290 CB GLU A 82 15.319 -11.575 -6.023 1.00 33.14 C ATOM 1291 CG GLU A 82 15.293 -10.034 -6.192 1.00 32.30 C ATOM 1292 CD GLU A 82 16.279 -9.297 -5.270 1.00 74.12 C ATOM 1293 OE1 GLU A 82 16.243 -9.538 -4.051 1.00 35.11 O ATOM 1294 OE2 GLU A 82 17.085 -8.467 -5.753 1.00 33.34 O ATOM 0 H GLU A 82 12.910 -11.868 -5.269 1.00 62.14 H new ATOM 0 HA GLU A 82 14.215 -11.910 -7.841 1.00 63.31 H new ATOM 0 HB2 GLU A 82 15.193 -11.813 -4.967 1.00 33.14 H new ATOM 0 HB3 GLU A 82 16.302 -11.942 -6.317 1.00 33.14 H new ATOM 0 HG2 GLU A 82 15.523 -9.787 -7.228 1.00 32.30 H new ATOM 0 HG3 GLU A 82 14.284 -9.672 -5.994 1.00 32.30 H new ATOM 1301 N GLY A 83 14.501 -14.350 -8.172 1.00 71.22 N ATOM 1302 CA GLY A 83 14.842 -15.736 -8.489 1.00 24.33 C ATOM 1303 C GLY A 83 15.265 -15.875 -9.942 1.00 10.11 C ATOM 1304 O GLY A 83 14.956 -14.986 -10.755 1.00 34.04 O ATOM 0 H GLY A 83 14.186 -13.814 -8.981 1.00 71.22 H new ATOM 0 HA2 GLY A 83 15.648 -16.074 -7.838 1.00 24.33 H new ATOM 0 HA3 GLY A 83 13.984 -16.379 -8.293 1.00 24.33 H new ATOM 1308 N SER A 84 15.947 -16.988 -10.266 1.00 11.01 N ATOM 1309 CA SER A 84 16.550 -17.227 -11.590 1.00 23.32 C ATOM 1310 C SER A 84 15.504 -17.150 -12.731 1.00 61.12 C ATOM 1311 O SER A 84 14.627 -18.014 -12.844 1.00 64.11 O ATOM 1312 CB SER A 84 17.259 -18.597 -11.578 1.00 61.31 C ATOM 1313 OG SER A 84 18.285 -18.625 -10.594 1.00 10.42 O ATOM 0 H SER A 84 16.097 -17.754 -9.610 1.00 11.01 H new ATOM 0 HA SER A 84 17.277 -16.439 -11.788 1.00 23.32 H new ATOM 0 HB2 SER A 84 16.534 -19.385 -11.376 1.00 61.31 H new ATOM 0 HB3 SER A 84 17.685 -18.800 -12.560 1.00 61.31 H new ATOM 0 HG SER A 84 18.721 -19.503 -10.601 1.00 10.42 H new ATOM 1319 N GLY A 85 15.588 -16.069 -13.525 1.00 0.15 N ATOM 1320 CA GLY A 85 14.688 -15.839 -14.664 1.00 63.20 C ATOM 1321 C GLY A 85 14.292 -14.377 -14.765 1.00 41.32 C ATOM 1322 O GLY A 85 14.252 -13.807 -15.863 1.00 60.32 O ATOM 0 H GLY A 85 16.281 -15.332 -13.394 1.00 0.15 H new ATOM 0 HA2 GLY A 85 15.178 -16.150 -15.587 1.00 63.20 H new ATOM 0 HA3 GLY A 85 13.795 -16.454 -14.555 1.00 63.20 H new ATOM 1326 N ASP A 86 13.995 -13.768 -13.601 1.00 50.21 N ATOM 1327 CA ASP A 86 13.558 -12.362 -13.500 1.00 44.23 C ATOM 1328 C ASP A 86 14.537 -11.555 -12.642 1.00 64.31 C ATOM 1329 O ASP A 86 14.627 -11.762 -11.427 1.00 24.54 O ATOM 1330 CB ASP A 86 12.126 -12.270 -12.905 1.00 44.21 C ATOM 1331 CG ASP A 86 11.065 -12.893 -13.821 1.00 51.22 C ATOM 1332 OD1 ASP A 86 10.888 -12.386 -14.959 1.00 44.43 O ATOM 1333 OD2 ASP A 86 10.400 -13.882 -13.427 1.00 41.21 O ATOM 0 H ASP A 86 14.052 -14.241 -12.699 1.00 50.21 H new ATOM 0 HA ASP A 86 13.543 -11.941 -14.505 1.00 44.23 H new ATOM 0 HB2 ASP A 86 12.106 -12.772 -11.938 1.00 44.21 H new ATOM 0 HB3 ASP A 86 11.877 -11.224 -12.726 1.00 44.21 H new ATOM 1338 N LYS A 87 15.293 -10.668 -13.303 1.00 73.32 N ATOM 1339 CA LYS A 87 16.211 -9.709 -12.657 1.00 64.10 C ATOM 1340 C LYS A 87 15.642 -8.282 -12.790 1.00 33.52 C ATOM 1341 O LYS A 87 15.759 -7.467 -11.865 1.00 13.53 O ATOM 1342 CB LYS A 87 17.627 -9.800 -13.301 1.00 64.31 C ATOM 1343 CG LYS A 87 18.672 -8.814 -12.716 1.00 11.20 C ATOM 1344 CD LYS A 87 20.081 -9.008 -13.324 1.00 65.02 C ATOM 1345 CE LYS A 87 21.114 -8.035 -12.747 1.00 51.30 C ATOM 1346 NZ LYS A 87 22.478 -8.334 -13.258 1.00 71.33 N ATOM 0 H LYS A 87 15.286 -10.592 -14.320 1.00 73.32 H new ATOM 0 HA LYS A 87 16.304 -9.955 -11.599 1.00 64.10 H new ATOM 0 HB2 LYS A 87 18.001 -10.817 -13.181 1.00 64.31 H new ATOM 0 HB3 LYS A 87 17.536 -9.618 -14.372 1.00 64.31 H new ATOM 0 HG2 LYS A 87 18.341 -7.791 -12.896 1.00 11.20 H new ATOM 0 HG3 LYS A 87 18.726 -8.947 -11.635 1.00 11.20 H new ATOM 0 HD2 LYS A 87 20.412 -10.031 -13.144 1.00 65.02 H new ATOM 0 HD3 LYS A 87 20.027 -8.875 -14.405 1.00 65.02 H new ATOM 0 HE2 LYS A 87 20.841 -7.013 -13.009 1.00 51.30 H new ATOM 0 HE3 LYS A 87 21.109 -8.098 -11.659 1.00 51.30 H new ATOM 0 HZ1 LYS A 87 23.157 -7.660 -12.851 1.00 71.33 H new ATOM 0 HZ2 LYS A 87 22.746 -9.302 -12.987 1.00 71.33 H new ATOM 0 HZ3 LYS A 87 22.486 -8.250 -14.295 1.00 71.33 H new ATOM 1360 N GLY A 88 15.026 -8.001 -13.957 1.00 2.14 N ATOM 1361 CA GLY A 88 14.421 -6.696 -14.240 1.00 34.33 C ATOM 1362 C GLY A 88 15.386 -5.717 -14.899 1.00 64.12 C ATOM 1363 O GLY A 88 16.542 -6.058 -15.169 1.00 53.52 O ATOM 0 H GLY A 88 14.938 -8.671 -14.721 1.00 2.14 H new ATOM 0 HA2 GLY A 88 13.557 -6.837 -14.889 1.00 34.33 H new ATOM 0 HA3 GLY A 88 14.054 -6.263 -13.309 1.00 34.33 H new ATOM 1367 N LYS A 89 14.902 -4.492 -15.153 1.00 0.30 N ATOM 1368 CA LYS A 89 15.661 -3.438 -15.844 1.00 32.11 C ATOM 1369 C LYS A 89 16.278 -2.482 -14.819 1.00 60.42 C ATOM 1370 O LYS A 89 15.554 -1.758 -14.129 1.00 30.04 O ATOM 1371 CB LYS A 89 14.733 -2.674 -16.821 1.00 32.43 C ATOM 1372 CG LYS A 89 15.455 -1.602 -17.676 1.00 12.31 C ATOM 1373 CD LYS A 89 14.539 -0.972 -18.751 1.00 62.41 C ATOM 1374 CE LYS A 89 13.966 -2.015 -19.724 1.00 33.21 C ATOM 1375 NZ LYS A 89 13.160 -1.393 -20.813 1.00 51.31 N ATOM 0 H LYS A 89 13.963 -4.202 -14.882 1.00 0.30 H new ATOM 0 HA LYS A 89 16.467 -3.892 -16.420 1.00 32.11 H new ATOM 0 HB2 LYS A 89 14.255 -3.392 -17.487 1.00 32.43 H new ATOM 0 HB3 LYS A 89 13.940 -2.193 -16.249 1.00 32.43 H new ATOM 0 HG2 LYS A 89 15.832 -0.816 -17.022 1.00 12.31 H new ATOM 0 HG3 LYS A 89 16.319 -2.054 -18.162 1.00 12.31 H new ATOM 0 HD2 LYS A 89 13.718 -0.447 -18.262 1.00 62.41 H new ATOM 0 HD3 LYS A 89 15.103 -0.228 -19.313 1.00 62.41 H new ATOM 0 HE2 LYS A 89 14.784 -2.587 -20.162 1.00 33.21 H new ATOM 0 HE3 LYS A 89 13.344 -2.720 -19.172 1.00 33.21 H new ATOM 0 HZ1 LYS A 89 12.795 -2.136 -21.443 1.00 51.31 H new ATOM 0 HZ2 LYS A 89 12.363 -0.868 -20.399 1.00 51.31 H new ATOM 0 HZ3 LYS A 89 13.758 -0.740 -21.358 1.00 51.31 H new ATOM 1389 N ILE A 90 17.619 -2.508 -14.715 1.00 52.50 N ATOM 1390 CA ILE A 90 18.378 -1.654 -13.790 1.00 4.32 C ATOM 1391 C ILE A 90 18.726 -0.317 -14.494 1.00 4.12 C ATOM 1392 O ILE A 90 19.536 -0.283 -15.425 1.00 54.25 O ATOM 1393 CB ILE A 90 19.692 -2.375 -13.254 1.00 53.33 C ATOM 1394 CG1 ILE A 90 19.359 -3.638 -12.366 1.00 51.05 C ATOM 1395 CG2 ILE A 90 20.598 -1.387 -12.476 1.00 12.20 C ATOM 1396 CD1 ILE A 90 18.847 -4.863 -13.119 1.00 10.41 C ATOM 0 H ILE A 90 18.207 -3.126 -15.274 1.00 52.50 H new ATOM 0 HA ILE A 90 17.755 -1.454 -12.918 1.00 4.32 H new ATOM 0 HB ILE A 90 20.237 -2.725 -14.131 1.00 53.33 H new ATOM 0 HG12 ILE A 90 20.258 -3.921 -11.819 1.00 51.05 H new ATOM 0 HG13 ILE A 90 18.612 -3.351 -11.626 1.00 51.05 H new ATOM 0 HG21 ILE A 90 21.487 -1.910 -12.123 1.00 12.20 H new ATOM 0 HG22 ILE A 90 20.895 -0.570 -13.134 1.00 12.20 H new ATOM 0 HG23 ILE A 90 20.050 -0.986 -11.623 1.00 12.20 H new ATOM 0 HD11 ILE A 90 18.651 -5.669 -12.412 1.00 10.41 H new ATOM 0 HD12 ILE A 90 17.926 -4.609 -13.644 1.00 10.41 H new ATOM 0 HD13 ILE A 90 19.598 -5.187 -13.840 1.00 10.41 H new ATOM 1408 N PHE A 91 18.064 0.763 -14.058 1.00 43.12 N ATOM 1409 CA PHE A 91 18.308 2.134 -14.541 1.00 4.13 C ATOM 1410 C PHE A 91 19.050 2.923 -13.447 1.00 11.15 C ATOM 1411 O PHE A 91 18.515 3.114 -12.348 1.00 65.50 O ATOM 1412 CB PHE A 91 16.952 2.815 -14.898 1.00 4.25 C ATOM 1413 CG PHE A 91 17.089 4.227 -15.476 1.00 33.04 C ATOM 1414 CD1 PHE A 91 17.488 4.415 -16.793 1.00 22.54 C ATOM 1415 CD2 PHE A 91 16.829 5.361 -14.701 1.00 25.10 C ATOM 1416 CE1 PHE A 91 17.627 5.681 -17.322 1.00 61.00 C ATOM 1417 CE2 PHE A 91 16.966 6.629 -15.229 1.00 74.41 C ATOM 1418 CZ PHE A 91 17.365 6.790 -16.542 1.00 2.13 C ATOM 0 H PHE A 91 17.332 0.711 -13.349 1.00 43.12 H new ATOM 0 HA PHE A 91 18.923 2.113 -15.441 1.00 4.13 H new ATOM 0 HB2 PHE A 91 16.423 2.190 -15.618 1.00 4.25 H new ATOM 0 HB3 PHE A 91 16.334 2.860 -14.001 1.00 4.25 H new ATOM 0 HD1 PHE A 91 17.693 3.555 -17.413 1.00 22.54 H new ATOM 0 HD2 PHE A 91 16.516 5.243 -13.674 1.00 25.10 H new ATOM 0 HE1 PHE A 91 17.941 5.805 -18.348 1.00 61.00 H new ATOM 0 HE2 PHE A 91 16.761 7.495 -14.616 1.00 74.41 H new ATOM 0 HZ PHE A 91 17.472 7.781 -16.957 1.00 2.13 H new ATOM 1428 N GLN A 92 20.288 3.353 -13.746 1.00 0.54 N ATOM 1429 CA GLN A 92 21.117 4.163 -12.832 1.00 2.35 C ATOM 1430 C GLN A 92 22.145 4.959 -13.662 1.00 74.55 C ATOM 1431 O GLN A 92 23.203 4.446 -14.036 1.00 4.30 O ATOM 1432 CB GLN A 92 21.788 3.278 -11.726 1.00 34.45 C ATOM 1433 CG GLN A 92 22.521 2.012 -12.231 1.00 52.22 C ATOM 1434 CD GLN A 92 23.139 1.185 -11.092 1.00 60.42 C ATOM 1435 OE1 GLN A 92 22.503 0.298 -10.528 1.00 65.14 O ATOM 1436 NE2 GLN A 92 24.381 1.481 -10.731 1.00 54.10 N ATOM 0 H GLN A 92 20.746 3.148 -14.634 1.00 0.54 H new ATOM 0 HA GLN A 92 20.485 4.871 -12.296 1.00 2.35 H new ATOM 0 HB2 GLN A 92 22.501 3.893 -11.178 1.00 34.45 H new ATOM 0 HB3 GLN A 92 21.019 2.971 -11.016 1.00 34.45 H new ATOM 0 HG2 GLN A 92 21.820 1.389 -12.786 1.00 52.22 H new ATOM 0 HG3 GLN A 92 23.306 2.306 -12.927 1.00 52.22 H new ATOM 0 HE21 GLN A 92 24.890 2.222 -11.214 1.00 54.10 H new ATOM 0 HE22 GLN A 92 24.827 0.968 -9.971 1.00 54.10 H new ATOM 1445 N LYS A 93 21.779 6.211 -14.007 1.00 21.50 N ATOM 1446 CA LYS A 93 22.600 7.080 -14.877 1.00 63.12 C ATOM 1447 C LYS A 93 23.730 7.764 -14.078 1.00 75.03 C ATOM 1448 O LYS A 93 23.617 7.951 -12.855 1.00 73.13 O ATOM 1449 CB LYS A 93 21.705 8.134 -15.594 1.00 11.22 C ATOM 1450 CG LYS A 93 20.957 9.110 -14.657 1.00 33.42 C ATOM 1451 CD LYS A 93 20.104 10.140 -15.436 1.00 20.24 C ATOM 1452 CE LYS A 93 19.395 11.148 -14.511 1.00 31.52 C ATOM 1453 NZ LYS A 93 20.359 11.982 -13.730 1.00 34.22 N ATOM 0 H LYS A 93 20.912 6.646 -13.693 1.00 21.50 H new ATOM 0 HA LYS A 93 23.068 6.454 -15.637 1.00 63.12 H new ATOM 0 HB2 LYS A 93 22.329 8.715 -16.274 1.00 11.22 H new ATOM 0 HB3 LYS A 93 20.971 7.608 -16.205 1.00 11.22 H new ATOM 0 HG2 LYS A 93 20.313 8.543 -13.986 1.00 33.42 H new ATOM 0 HG3 LYS A 93 21.680 9.638 -14.035 1.00 33.42 H new ATOM 0 HD2 LYS A 93 20.743 10.681 -16.134 1.00 20.24 H new ATOM 0 HD3 LYS A 93 19.358 9.612 -16.031 1.00 20.24 H new ATOM 0 HE2 LYS A 93 18.757 11.799 -15.109 1.00 31.52 H new ATOM 0 HE3 LYS A 93 18.744 10.609 -13.822 1.00 31.52 H new ATOM 0 HZ1 LYS A 93 19.842 12.732 -13.228 1.00 34.22 H new ATOM 0 HZ2 LYS A 93 20.857 11.383 -13.041 1.00 34.22 H new ATOM 0 HZ3 LYS A 93 21.050 12.412 -14.378 1.00 34.22 H new ATOM 1467 N GLU A 94 24.822 8.102 -14.781 1.00 64.21 N ATOM 1468 CA GLU A 94 25.967 8.826 -14.209 1.00 23.32 C ATOM 1469 C GLU A 94 25.587 10.303 -14.044 1.00 64.52 C ATOM 1470 O GLU A 94 25.177 10.947 -15.018 1.00 43.12 O ATOM 1471 CB GLU A 94 27.218 8.694 -15.131 1.00 44.34 C ATOM 1472 CG GLU A 94 27.672 7.243 -15.399 1.00 73.30 C ATOM 1473 CD GLU A 94 28.033 6.471 -14.118 1.00 13.21 C ATOM 1474 OE1 GLU A 94 29.192 6.550 -13.653 1.00 12.25 O ATOM 1475 OE2 GLU A 94 27.156 5.797 -13.549 1.00 12.12 O ATOM 0 H GLU A 94 24.936 7.879 -15.770 1.00 64.21 H new ATOM 0 HA GLU A 94 26.216 8.397 -13.239 1.00 23.32 H new ATOM 0 HB2 GLU A 94 27.002 9.175 -16.085 1.00 44.34 H new ATOM 0 HB3 GLU A 94 28.045 9.241 -14.679 1.00 44.34 H new ATOM 0 HG2 GLU A 94 26.877 6.712 -15.923 1.00 73.30 H new ATOM 0 HG3 GLU A 94 28.537 7.257 -16.062 1.00 73.30 H new ATOM 1482 N GLY A 95 25.710 10.821 -12.821 1.00 64.22 N ATOM 1483 CA GLY A 95 25.345 12.204 -12.523 1.00 43.24 C ATOM 1484 C GLY A 95 25.922 12.653 -11.204 1.00 3.03 C ATOM 1485 O GLY A 95 25.186 12.915 -10.244 1.00 11.43 O ATOM 0 H GLY A 95 26.062 10.299 -12.018 1.00 64.22 H new ATOM 0 HA2 GLY A 95 25.703 12.856 -13.320 1.00 43.24 H new ATOM 0 HA3 GLY A 95 24.259 12.298 -12.498 1.00 43.24 H new ATOM 1489 N GLU A 96 27.255 12.714 -11.164 1.00 1.10 N ATOM 1490 CA GLU A 96 28.023 13.180 -10.004 1.00 51.10 C ATOM 1491 C GLU A 96 28.177 14.713 -10.067 1.00 4.12 C ATOM 1492 O GLU A 96 28.245 15.287 -11.167 1.00 24.15 O ATOM 1493 CB GLU A 96 29.407 12.478 -10.004 1.00 23.05 C ATOM 1494 CG GLU A 96 30.325 12.837 -8.816 1.00 44.11 C ATOM 1495 CD GLU A 96 31.669 12.095 -8.874 1.00 33.25 C ATOM 1496 OE1 GLU A 96 31.755 10.957 -8.370 1.00 54.45 O ATOM 1497 OE2 GLU A 96 32.640 12.630 -9.451 1.00 64.23 O ATOM 0 H GLU A 96 27.843 12.436 -11.950 1.00 1.10 H new ATOM 0 HA GLU A 96 27.502 12.931 -9.079 1.00 51.10 H new ATOM 0 HB2 GLU A 96 29.250 11.399 -10.008 1.00 23.05 H new ATOM 0 HB3 GLU A 96 29.924 12.728 -10.931 1.00 23.05 H new ATOM 0 HG2 GLU A 96 30.506 13.912 -8.811 1.00 44.11 H new ATOM 0 HG3 GLU A 96 29.818 12.595 -7.882 1.00 44.11 H new ATOM 1504 N SER A 97 28.238 15.354 -8.885 1.00 21.12 N ATOM 1505 CA SER A 97 28.349 16.816 -8.763 1.00 34.25 C ATOM 1506 C SER A 97 29.696 17.308 -9.335 1.00 4.03 C ATOM 1507 O SER A 97 30.744 17.127 -8.706 1.00 72.31 O ATOM 1508 CB SER A 97 28.199 17.244 -7.281 1.00 1.54 C ATOM 1509 OG SER A 97 26.961 16.808 -6.741 1.00 75.20 O ATOM 0 H SER A 97 28.212 14.870 -7.987 1.00 21.12 H new ATOM 0 HA SER A 97 27.545 17.274 -9.340 1.00 34.25 H new ATOM 0 HB2 SER A 97 29.020 16.829 -6.696 1.00 1.54 H new ATOM 0 HB3 SER A 97 28.269 18.329 -7.205 1.00 1.54 H new ATOM 0 HG SER A 97 26.895 17.091 -5.805 1.00 75.20 H new ATOM 1515 N ILE A 98 29.645 17.865 -10.564 1.00 61.45 N ATOM 1516 CA ILE A 98 30.811 18.481 -11.216 1.00 11.01 C ATOM 1517 C ILE A 98 31.201 19.768 -10.461 1.00 24.03 C ATOM 1518 O ILE A 98 30.366 20.657 -10.272 1.00 33.33 O ATOM 1519 CB ILE A 98 30.548 18.778 -12.755 1.00 2.50 C ATOM 1520 CG1 ILE A 98 31.803 19.431 -13.429 1.00 33.13 C ATOM 1521 CG2 ILE A 98 29.274 19.632 -12.981 1.00 44.13 C ATOM 1522 CD1 ILE A 98 31.639 19.765 -14.910 1.00 34.24 C ATOM 0 H ILE A 98 28.795 17.898 -11.127 1.00 61.45 H new ATOM 0 HA ILE A 98 31.639 17.773 -11.174 1.00 11.01 H new ATOM 0 HB ILE A 98 30.370 17.817 -13.238 1.00 2.50 H new ATOM 0 HG12 ILE A 98 32.051 20.346 -12.891 1.00 33.13 H new ATOM 0 HG13 ILE A 98 32.651 18.755 -13.316 1.00 33.13 H new ATOM 0 HG21 ILE A 98 29.138 19.807 -14.048 1.00 44.13 H new ATOM 0 HG22 ILE A 98 28.406 19.103 -12.587 1.00 44.13 H new ATOM 0 HG23 ILE A 98 29.380 20.587 -12.467 1.00 44.13 H new ATOM 0 HD11 ILE A 98 32.559 20.212 -15.286 1.00 34.24 H new ATOM 0 HD12 ILE A 98 31.425 18.853 -15.467 1.00 34.24 H new ATOM 0 HD13 ILE A 98 30.816 20.469 -15.035 1.00 34.24 H new ATOM 1534 N LEU A 99 32.446 19.815 -9.971 1.00 34.22 N ATOM 1535 CA LEU A 99 33.012 21.017 -9.329 1.00 23.23 C ATOM 1536 C LEU A 99 33.403 22.039 -10.414 1.00 11.13 C ATOM 1537 O LEU A 99 33.844 21.649 -11.500 1.00 40.50 O ATOM 1538 CB LEU A 99 34.215 20.613 -8.407 1.00 4.13 C ATOM 1539 CG LEU A 99 35.342 19.701 -9.038 1.00 53.45 C ATOM 1540 CD1 LEU A 99 36.404 20.506 -9.820 1.00 24.41 C ATOM 1541 CD2 LEU A 99 36.005 18.794 -7.982 1.00 44.35 C ATOM 0 H LEU A 99 33.091 19.026 -10.006 1.00 34.22 H new ATOM 0 HA LEU A 99 32.271 21.493 -8.687 1.00 23.23 H new ATOM 0 HB2 LEU A 99 34.685 21.528 -8.046 1.00 4.13 H new ATOM 0 HB3 LEU A 99 33.813 20.097 -7.536 1.00 4.13 H new ATOM 0 HG LEU A 99 34.835 19.063 -9.762 1.00 53.45 H new ATOM 0 HD11 LEU A 99 37.150 19.824 -10.229 1.00 24.41 H new ATOM 0 HD12 LEU A 99 35.923 21.048 -10.634 1.00 24.41 H new ATOM 0 HD13 LEU A 99 36.890 21.215 -9.150 1.00 24.41 H new ATOM 0 HD21 LEU A 99 36.773 18.184 -8.457 1.00 44.35 H new ATOM 0 HD22 LEU A 99 36.459 19.411 -7.206 1.00 44.35 H new ATOM 0 HD23 LEU A 99 35.252 18.145 -7.535 1.00 44.35 H new ATOM 1553 N GLU A 100 33.190 23.333 -10.133 1.00 40.45 N ATOM 1554 CA GLU A 100 33.560 24.412 -11.056 1.00 41.51 C ATOM 1555 C GLU A 100 35.061 24.732 -10.878 1.00 71.14 C ATOM 1556 O GLU A 100 35.429 25.378 -9.876 1.00 64.02 O ATOM 1557 CB GLU A 100 32.667 25.671 -10.835 1.00 32.11 C ATOM 1558 CG GLU A 100 32.940 26.840 -11.812 1.00 52.31 C ATOM 1559 CD GLU A 100 32.704 26.471 -13.295 1.00 70.24 C ATOM 1560 OE1 GLU A 100 33.617 25.911 -13.946 1.00 23.32 O ATOM 1561 OE2 GLU A 100 31.604 26.737 -13.826 1.00 53.14 O ATOM 1562 OXT GLU A 100 35.879 24.320 -11.726 1.00 37.51 O ATOM 0 H GLU A 100 32.760 23.657 -9.267 1.00 40.45 H new ATOM 0 HA GLU A 100 33.390 24.088 -12.083 1.00 41.51 H new ATOM 0 HB2 GLU A 100 31.621 25.378 -10.925 1.00 32.11 H new ATOM 0 HB3 GLU A 100 32.812 26.027 -9.815 1.00 32.11 H new ATOM 0 HG2 GLU A 100 32.299 27.681 -11.548 1.00 52.31 H new ATOM 0 HG3 GLU A 100 33.970 27.174 -11.688 1.00 52.31 H new TER 1569 GLU A 100