USER MOD reduce.3.24.130724 H: found=0, std=0, add=1315, rem=0, adj=52 USER MOD reduce.3.24.130724 removed 1313 hydrogens (52 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 76 TYR OH : rot 30:sc= 0 USER MOD Set 1.2: A 300 ACD O2 : rot -55:sc= -1.05 USER MOD Set 2.1: A 51 TYR OH : rot 180:sc= -0.53 USER MOD Set 2.2: A 64 THR OG1 : rot 117:sc= 0.907 USER MOD Set 3.1: A 50 SER OG : rot 111:sc= 0.446 USER MOD Set 3.2: A 61 LYS NZ :NH3+ -112:sc= 0.406 (180deg=-2.15!) USER MOD Set 4.1: A 31 LYS NZ :NH3+ -159:sc= -1.92! (180deg=-3.12!) USER MOD Set 4.2: A 32 MET CE :methyl 140:sc= -1.2 (180deg=-1.22) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -167:sc= -0.314 (180deg=-0.502) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot -85:sc= 0.384 USER MOD Single : A 12 LYS NZ :NH3+ 163:sc= -0.172 (180deg=-0.817) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 122:sc= -2.29 USER MOD Single : A 21 ASN : amide:sc= -0.103 K(o=-0.1,f=-2.5!) USER MOD Single : A 22 THR OG1 : rot 130:sc= -0.813 USER MOD Single : A 29 LYS NZ :NH3+ 175:sc= -4.67! (180deg=-4.9!) USER MOD Single : A 33 LYS NZ :NH3+ 161:sc= -0.0162 (180deg=-0.333) USER MOD Single : A 34 MET CE :methyl -139:sc= -4.1! (180deg=-11.2!) USER MOD Single : A 36 MET CE :methyl 169:sc= -0.453 (180deg=-0.868) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 157:sc= -0.0113 (180deg=-0.807) USER MOD Single : A 57 ASN :FLIP amide:sc= -0.0543 F(o=-1.7,f=-0.054) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 154:sc= -0.0584 (180deg=-0.597) USER MOD Single : A 68 LYS NZ :NH3+ 164:sc= -0.015 (180deg=-0.235) USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.321 USER MOD Single : A 70 SER OG : rot -67:sc= 0.045 USER MOD Single : A 77 TYR OH : rot -140:sc= -0.287 USER MOD Single : A 78 SER OG : rot 41:sc= 0.764 USER MOD Single : A 82 LYS NZ :NH3+ 162:sc=-0.00358 (180deg=-0.115) USER MOD Single : A 83 LYS NZ :NH3+ -95:sc= -5.05! (180deg=-5.98!) USER MOD Single : A 84 LYS NZ :NH3+ -107:sc= 0.462 (180deg=-0.014) USER MOD Single : A 90 THR OG1 : rot 180:sc=-0.00535 USER MOD Single : A 92 TYR OH : rot 154:sc= -6.72! USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 SER OG : rot -130:sc= 0.105 USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 THR OG1 : rot -136:sc= -1.24 USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 HIS : no HD1:sc= -2.02 X(o=-2,f=-2!) USER MOD Single : A 111 MET CE :methyl 144:sc= -1.2 (180deg=-1.52) USER MOD Single : A 112 MET CE :methyl -164:sc= 0 (180deg=-0.211) USER MOD Single : A 115 TYR OH : rot -15:sc= -3.81! USER MOD Single : A 116 SER OG : rot -155:sc= 2.08 USER MOD Single : A 118 SER OG : rot 180:sc= -0.444 USER MOD Single : A 122 SER OG : rot 180:sc= -0.353 USER MOD Single : A 126 THR OG1 : rot 180:sc= -0.41 USER MOD Single : A 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 137 ASN :FLIP amide:sc= -0.0026 F(o=-0.97,f=-0.0026) USER MOD Single : A 138 TYR OH : rot 150:sc= -0.0264 USER MOD Single : A 139 THR OG1 : rot 180:sc= 0 USER MOD Single : A 142 MET CE :methyl -133:sc= -0.784 (180deg=-4.68!) USER MOD Single : A 145 MET CE :methyl -175:sc= -3.3 (180deg=-3.32) USER MOD Single : A 149 GLN : amide:sc= -0.0574 K(o=-0.057,f=-0.75) USER MOD Single : A 153 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 9.743 17.482 -18.639 1.00 0.00 N ATOM 2 CA MET A 1 10.187 18.832 -19.084 1.00 52.33 C ATOM 3 C MET A 1 9.052 19.516 -19.838 1.00 72.55 C ATOM 4 O MET A 1 9.154 20.689 -20.202 1.00 2.15 O ATOM 5 CB MET A 1 11.408 18.689 -19.997 1.00 33.13 C ATOM 6 CG MET A 1 12.605 18.201 -19.178 1.00 24.32 C ATOM 7 SD MET A 1 14.081 18.174 -20.226 1.00 65.04 S ATOM 8 CE MET A 1 15.248 17.620 -18.959 1.00 21.43 C ATOM 0 H1 MET A 1 10.420 17.105 -17.946 1.00 0.00 H new ATOM 0 H2 MET A 1 8.802 17.553 -18.201 1.00 0.00 H new ATOM 0 H3 MET A 1 9.696 16.844 -19.459 1.00 0.00 H new ATOM 0 HA MET A 1 10.455 19.436 -18.217 1.00 52.33 H new ATOM 0 HB2 MET A 1 11.193 17.985 -20.801 1.00 33.13 H new ATOM 0 HB3 MET A 1 11.640 19.646 -20.464 1.00 33.13 H new ATOM 0 HG2 MET A 1 12.765 18.857 -18.322 1.00 24.32 H new ATOM 0 HG3 MET A 1 12.408 17.204 -18.784 1.00 24.32 H new ATOM 0 HE1 MET A 1 16.243 17.533 -19.394 1.00 21.43 H new ATOM 0 HE2 MET A 1 15.271 18.343 -18.144 1.00 21.43 H new ATOM 0 HE3 MET A 1 14.934 16.650 -18.574 1.00 21.43 H new ATOM 20 N THR A 2 7.971 18.779 -20.069 1.00 53.23 N ATOM 21 CA THR A 2 6.820 19.324 -20.781 1.00 10.40 C ATOM 22 C THR A 2 5.921 20.107 -19.829 1.00 24.00 C ATOM 23 O THR A 2 4.695 20.043 -19.929 1.00 54.11 O ATOM 24 CB THR A 2 6.019 18.189 -21.424 1.00 53.33 C ATOM 25 OG1 THR A 2 5.559 17.305 -20.412 1.00 24.30 O ATOM 26 CG2 THR A 2 6.907 17.427 -22.407 1.00 71.25 C ATOM 0 H THR A 2 7.867 17.808 -19.776 1.00 53.23 H new ATOM 0 HA THR A 2 7.183 19.999 -21.557 1.00 10.40 H new ATOM 0 HB THR A 2 5.165 18.604 -21.959 1.00 53.33 H new ATOM 0 HG1 THR A 2 5.044 16.578 -20.821 1.00 24.30 H new ATOM 0 HG21 THR A 2 6.335 16.619 -22.864 1.00 71.25 H new ATOM 0 HG22 THR A 2 7.258 18.107 -23.183 1.00 71.25 H new ATOM 0 HG23 THR A 2 7.763 17.010 -21.876 1.00 71.25 H new ATOM 34 N VAL A 3 6.542 20.842 -18.907 1.00 33.43 N ATOM 35 CA VAL A 3 5.804 21.643 -17.928 1.00 44.34 C ATOM 36 C VAL A 3 4.492 20.961 -17.532 1.00 22.34 C ATOM 37 O VAL A 3 3.407 21.505 -17.734 1.00 54.24 O ATOM 38 CB VAL A 3 5.531 23.047 -18.493 1.00 2.41 C ATOM 39 CG1 VAL A 3 4.873 22.940 -19.875 1.00 10.21 C ATOM 40 CG2 VAL A 3 4.614 23.837 -17.535 1.00 52.20 C ATOM 0 H VAL A 3 7.556 20.900 -18.817 1.00 33.43 H new ATOM 0 HA VAL A 3 6.416 21.735 -17.031 1.00 44.34 H new ATOM 0 HB VAL A 3 6.479 23.575 -18.591 1.00 2.41 H new ATOM 0 HG11 VAL A 3 4.684 23.940 -20.266 1.00 10.21 H new ATOM 0 HG12 VAL A 3 5.537 22.404 -20.554 1.00 10.21 H new ATOM 0 HG13 VAL A 3 3.930 22.400 -19.788 1.00 10.21 H new ATOM 0 HG21 VAL A 3 4.428 24.829 -17.945 1.00 52.20 H new ATOM 0 HG22 VAL A 3 3.668 23.309 -17.419 1.00 52.20 H new ATOM 0 HG23 VAL A 3 5.098 23.931 -16.563 1.00 52.20 H new ATOM 50 N PRO A 4 4.577 19.782 -16.975 1.00 33.23 N ATOM 51 CA PRO A 4 3.377 19.007 -16.543 1.00 50.24 C ATOM 52 C PRO A 4 2.755 19.579 -15.269 1.00 72.31 C ATOM 53 O PRO A 4 3.459 20.093 -14.401 1.00 41.02 O ATOM 54 CB PRO A 4 3.929 17.596 -16.309 1.00 23.44 C ATOM 55 CG PRO A 4 5.364 17.799 -15.946 1.00 63.04 C ATOM 56 CD PRO A 4 5.827 19.054 -16.693 1.00 1.02 C ATOM 0 HA PRO A 4 2.575 19.035 -17.281 1.00 50.24 H new ATOM 0 HB2 PRO A 4 3.388 17.088 -15.511 1.00 23.44 H new ATOM 0 HB3 PRO A 4 3.831 16.980 -17.203 1.00 23.44 H new ATOM 0 HG2 PRO A 4 5.478 17.924 -14.869 1.00 63.04 H new ATOM 0 HG3 PRO A 4 5.963 16.934 -16.232 1.00 63.04 H new ATOM 0 HD2 PRO A 4 6.508 19.651 -16.087 1.00 1.02 H new ATOM 0 HD3 PRO A 4 6.357 18.800 -17.611 1.00 1.02 H new ATOM 64 N ASP A 5 1.434 19.486 -15.169 1.00 54.52 N ATOM 65 CA ASP A 5 0.729 19.997 -13.999 1.00 62.11 C ATOM 66 C ASP A 5 1.068 19.172 -12.762 1.00 24.51 C ATOM 67 O ASP A 5 0.796 19.585 -11.635 1.00 24.13 O ATOM 68 CB ASP A 5 -0.781 19.960 -14.242 1.00 62.43 C ATOM 69 CG ASP A 5 -1.240 18.521 -14.460 1.00 24.33 C ATOM 70 OD1 ASP A 5 -0.445 17.625 -14.234 1.00 25.41 O ATOM 71 OD2 ASP A 5 -2.382 18.338 -14.851 1.00 64.54 O ATOM 0 H ASP A 5 0.833 19.065 -15.878 1.00 54.52 H new ATOM 0 HA ASP A 5 1.045 21.026 -13.830 1.00 62.11 H new ATOM 0 HB2 ASP A 5 -1.305 20.392 -13.390 1.00 62.43 H new ATOM 0 HB3 ASP A 5 -1.032 20.566 -15.112 1.00 62.43 H new ATOM 76 N ARG A 6 1.664 18.004 -12.982 1.00 51.20 N ATOM 77 CA ARG A 6 2.035 17.128 -11.876 1.00 61.22 C ATOM 78 C ARG A 6 3.000 17.840 -10.932 1.00 53.24 C ATOM 79 O ARG A 6 3.012 17.583 -9.729 1.00 0.33 O ATOM 80 CB ARG A 6 2.688 15.852 -12.414 1.00 31.54 C ATOM 81 CG ARG A 6 1.819 15.261 -13.526 1.00 2.44 C ATOM 82 CD ARG A 6 2.484 13.997 -14.075 1.00 34.54 C ATOM 83 NE ARG A 6 1.786 13.537 -15.271 1.00 71.40 N ATOM 84 CZ ARG A 6 0.716 12.751 -15.186 1.00 61.22 C ATOM 85 NH1 ARG A 6 0.271 12.378 -14.018 1.00 0.53 N ATOM 86 NH2 ARG A 6 0.110 12.354 -16.272 1.00 4.30 N ATOM 0 H ARG A 6 1.899 17.645 -13.907 1.00 51.20 H new ATOM 0 HA ARG A 6 1.132 16.866 -11.325 1.00 61.22 H new ATOM 0 HB2 ARG A 6 3.684 16.075 -12.796 1.00 31.54 H new ATOM 0 HB3 ARG A 6 2.810 15.127 -11.610 1.00 31.54 H new ATOM 0 HG2 ARG A 6 0.827 15.025 -13.141 1.00 2.44 H new ATOM 0 HG3 ARG A 6 1.685 15.991 -14.325 1.00 2.44 H new ATOM 0 HD2 ARG A 6 3.529 14.200 -14.311 1.00 34.54 H new ATOM 0 HD3 ARG A 6 2.475 13.214 -13.317 1.00 34.54 H new ATOM 0 HE ARG A 6 2.125 13.823 -16.189 1.00 71.40 H new ATOM 0 HH11 ARG A 6 0.743 12.689 -13.169 1.00 0.53 H new ATOM 0 HH12 ARG A 6 -0.549 11.775 -13.953 1.00 0.53 H new ATOM 0 HH21 ARG A 6 0.457 12.646 -17.186 1.00 4.30 H new ATOM 0 HH22 ARG A 6 -0.710 11.751 -16.207 1.00 4.30 H new ATOM 100 N SER A 7 3.803 18.736 -11.491 1.00 33.12 N ATOM 101 CA SER A 7 4.770 19.489 -10.699 1.00 73.44 C ATOM 102 C SER A 7 4.080 20.193 -9.534 1.00 23.32 C ATOM 103 O SER A 7 4.685 20.415 -8.485 1.00 74.32 O ATOM 104 CB SER A 7 5.470 20.524 -11.578 1.00 20.22 C ATOM 105 OG SER A 7 4.531 21.513 -11.979 1.00 0.43 O ATOM 0 H SER A 7 3.805 18.959 -12.486 1.00 33.12 H new ATOM 0 HA SER A 7 5.506 18.791 -10.301 1.00 73.44 H new ATOM 0 HB2 SER A 7 6.291 20.987 -11.031 1.00 20.22 H new ATOM 0 HB3 SER A 7 5.903 20.041 -12.454 1.00 20.22 H new ATOM 0 HG SER A 7 4.055 21.207 -12.779 1.00 0.43 H new ATOM 111 N GLU A 8 2.818 20.555 -9.733 1.00 52.21 N ATOM 112 CA GLU A 8 2.058 21.253 -8.701 1.00 63.21 C ATOM 113 C GLU A 8 1.974 20.428 -7.417 1.00 54.05 C ATOM 114 O GLU A 8 2.250 20.937 -6.331 1.00 53.03 O ATOM 115 CB GLU A 8 0.646 21.549 -9.208 1.00 5.41 C ATOM 116 CG GLU A 8 0.719 22.541 -10.370 1.00 55.14 C ATOM 117 CD GLU A 8 -0.688 22.931 -10.811 1.00 1.44 C ATOM 118 OE1 GLU A 8 -1.472 22.037 -11.084 1.00 60.21 O ATOM 119 OE2 GLU A 8 -0.961 24.119 -10.869 1.00 31.32 O ATOM 0 H GLU A 8 2.301 20.378 -10.594 1.00 52.21 H new ATOM 0 HA GLU A 8 2.576 22.186 -8.476 1.00 63.21 H new ATOM 0 HB2 GLU A 8 0.164 20.627 -9.533 1.00 5.41 H new ATOM 0 HB3 GLU A 8 0.038 21.960 -8.402 1.00 5.41 H new ATOM 0 HG2 GLU A 8 1.273 23.429 -10.067 1.00 55.14 H new ATOM 0 HG3 GLU A 8 1.261 22.097 -11.205 1.00 55.14 H new ATOM 126 N ILE A 9 1.596 19.157 -7.538 1.00 21.51 N ATOM 127 CA ILE A 9 1.487 18.296 -6.361 1.00 20.35 C ATOM 128 C ILE A 9 2.815 17.618 -6.059 1.00 42.42 C ATOM 129 O ILE A 9 3.166 17.412 -4.897 1.00 3.11 O ATOM 130 CB ILE A 9 0.415 17.220 -6.570 1.00 32.33 C ATOM 131 CG1 ILE A 9 0.157 16.506 -5.236 1.00 13.11 C ATOM 132 CG2 ILE A 9 0.900 16.202 -7.608 1.00 52.32 C ATOM 133 CD1 ILE A 9 -0.881 15.392 -5.418 1.00 74.22 C ATOM 0 H ILE A 9 1.363 18.706 -8.423 1.00 21.51 H new ATOM 0 HA ILE A 9 1.206 18.929 -5.519 1.00 20.35 H new ATOM 0 HB ILE A 9 -0.505 17.684 -6.926 1.00 32.33 H new ATOM 0 HG12 ILE A 9 1.088 16.086 -4.855 1.00 13.11 H new ATOM 0 HG13 ILE A 9 -0.196 17.223 -4.495 1.00 13.11 H new ATOM 0 HG21 ILE A 9 0.136 15.439 -7.754 1.00 52.32 H new ATOM 0 HG22 ILE A 9 1.091 16.709 -8.554 1.00 52.32 H new ATOM 0 HG23 ILE A 9 1.819 15.733 -7.256 1.00 52.32 H new ATOM 0 HD11 ILE A 9 -1.053 14.895 -4.463 1.00 74.22 H new ATOM 0 HD12 ILE A 9 -1.816 15.821 -5.777 1.00 74.22 H new ATOM 0 HD13 ILE A 9 -0.513 14.666 -6.143 1.00 74.22 H new ATOM 145 N ALA A 10 3.544 17.258 -7.107 1.00 72.40 N ATOM 146 CA ALA A 10 4.819 16.589 -6.911 1.00 60.00 C ATOM 147 C ALA A 10 5.705 17.428 -6.012 1.00 70.33 C ATOM 148 O ALA A 10 5.785 18.648 -6.162 1.00 13.24 O ATOM 149 CB ALA A 10 5.510 16.291 -8.243 1.00 32.45 C ATOM 0 H ALA A 10 3.281 17.414 -8.080 1.00 72.40 H new ATOM 0 HA ALA A 10 4.633 15.630 -6.428 1.00 60.00 H new ATOM 0 HB1 ALA A 10 6.460 15.791 -8.056 1.00 32.45 H new ATOM 0 HB2 ALA A 10 4.873 15.645 -8.847 1.00 32.45 H new ATOM 0 HB3 ALA A 10 5.690 17.224 -8.776 1.00 32.45 H new ATOM 155 N GLY A 11 6.351 16.770 -5.056 1.00 0.21 N ATOM 156 CA GLY A 11 7.214 17.451 -4.102 1.00 53.25 C ATOM 157 C GLY A 11 6.618 17.330 -2.703 1.00 72.23 C ATOM 158 O GLY A 11 7.347 17.245 -1.717 1.00 35.34 O ATOM 0 H GLY A 11 6.292 15.761 -4.922 1.00 0.21 H new ATOM 0 HA2 GLY A 11 8.213 17.015 -4.123 1.00 53.25 H new ATOM 0 HA3 GLY A 11 7.319 18.501 -4.375 1.00 53.25 H new ATOM 162 N LYS A 12 5.283 17.304 -2.634 1.00 11.13 N ATOM 163 CA LYS A 12 4.588 17.177 -1.352 1.00 24.45 C ATOM 164 C LYS A 12 3.134 16.726 -1.546 1.00 62.22 C ATOM 165 O LYS A 12 2.296 17.504 -2.003 1.00 50.53 O ATOM 166 CB LYS A 12 4.583 18.524 -0.614 1.00 62.54 C ATOM 167 CG LYS A 12 5.991 18.873 -0.118 1.00 74.44 C ATOM 168 CD LYS A 12 5.899 19.951 0.965 1.00 24.43 C ATOM 169 CE LYS A 12 7.296 20.247 1.514 1.00 21.21 C ATOM 170 NZ LYS A 12 8.264 20.344 0.384 1.00 70.44 N ATOM 0 H LYS A 12 4.667 17.369 -3.445 1.00 11.13 H new ATOM 0 HA LYS A 12 5.121 16.427 -0.768 1.00 24.45 H new ATOM 0 HB2 LYS A 12 4.221 19.308 -1.279 1.00 62.54 H new ATOM 0 HB3 LYS A 12 3.895 18.480 0.230 1.00 62.54 H new ATOM 0 HG2 LYS A 12 6.479 17.983 0.280 1.00 74.44 H new ATOM 0 HG3 LYS A 12 6.603 19.227 -0.948 1.00 74.44 H new ATOM 0 HD2 LYS A 12 5.460 20.859 0.552 1.00 24.43 H new ATOM 0 HD3 LYS A 12 5.244 19.617 1.770 1.00 24.43 H new ATOM 0 HE2 LYS A 12 7.286 21.179 2.079 1.00 21.21 H new ATOM 0 HE3 LYS A 12 7.602 19.459 2.203 1.00 21.21 H new ATOM 0 HZ1 LYS A 12 9.130 20.819 0.709 1.00 70.44 H new ATOM 0 HZ2 LYS A 12 8.499 19.389 0.045 1.00 70.44 H new ATOM 0 HZ3 LYS A 12 7.839 20.892 -0.391 1.00 70.44 H new ATOM 184 N TRP A 13 2.824 15.486 -1.150 1.00 11.35 N ATOM 185 CA TRP A 13 1.453 14.972 -1.239 1.00 74.30 C ATOM 186 C TRP A 13 0.953 14.775 0.190 1.00 52.15 C ATOM 187 O TRP A 13 1.640 14.154 1.002 1.00 4.13 O ATOM 188 CB TRP A 13 1.460 13.608 -1.959 1.00 12.43 C ATOM 189 CG TRP A 13 1.772 13.758 -3.390 1.00 2.51 C ATOM 190 CD1 TRP A 13 2.830 14.411 -3.898 1.00 41.34 C ATOM 191 CD2 TRP A 13 1.033 13.214 -4.517 1.00 41.43 C ATOM 192 NE1 TRP A 13 2.795 14.287 -5.263 1.00 64.01 N ATOM 193 CE2 TRP A 13 1.720 13.546 -5.689 1.00 20.04 C ATOM 194 CE3 TRP A 13 -0.145 12.457 -4.632 1.00 63.42 C ATOM 195 CZ2 TRP A 13 1.282 13.144 -6.939 1.00 74.32 C ATOM 196 CZ3 TRP A 13 -0.608 12.054 -5.896 1.00 60.42 C ATOM 197 CH2 TRP A 13 0.111 12.391 -7.051 1.00 3.11 C ATOM 0 H TRP A 13 3.499 14.824 -0.767 1.00 11.35 H new ATOM 0 HA TRP A 13 0.816 15.663 -1.791 1.00 74.30 H new ATOM 0 HB2 TRP A 13 2.194 12.952 -1.492 1.00 12.43 H new ATOM 0 HB3 TRP A 13 0.487 13.130 -1.845 1.00 12.43 H new ATOM 0 HD1 TRP A 13 3.579 14.942 -3.329 1.00 41.34 H new ATOM 0 HE1 TRP A 13 3.487 14.698 -5.890 1.00 64.01 H new ATOM 0 HE3 TRP A 13 -0.697 12.184 -3.745 1.00 63.42 H new ATOM 0 HZ2 TRP A 13 1.843 13.411 -7.823 1.00 74.32 H new ATOM 0 HZ3 TRP A 13 -1.521 11.483 -5.978 1.00 60.42 H new ATOM 0 HH2 TRP A 13 -0.238 12.070 -8.021 1.00 3.11 H new ATOM 208 N TYR A 14 -0.204 15.338 0.523 1.00 5.14 N ATOM 209 CA TYR A 14 -0.722 15.245 1.891 1.00 44.20 C ATOM 210 C TYR A 14 -1.803 14.173 2.017 1.00 43.20 C ATOM 211 O TYR A 14 -2.773 14.175 1.272 1.00 10.22 O ATOM 212 CB TYR A 14 -1.302 16.624 2.286 1.00 70.40 C ATOM 213 CG TYR A 14 -0.613 17.192 3.514 1.00 64.34 C ATOM 214 CD1 TYR A 14 0.786 17.225 3.596 1.00 51.41 C ATOM 215 CD2 TYR A 14 -1.383 17.699 4.569 1.00 4.22 C ATOM 216 CE1 TYR A 14 1.408 17.759 4.730 1.00 32.44 C ATOM 217 CE2 TYR A 14 -0.759 18.232 5.703 1.00 14.02 C ATOM 218 CZ TYR A 14 0.637 18.262 5.783 1.00 30.22 C ATOM 219 OH TYR A 14 1.253 18.787 6.901 1.00 54.24 O ATOM 0 H TYR A 14 -0.797 15.858 -0.124 1.00 5.14 H new ATOM 0 HA TYR A 14 0.093 14.962 2.557 1.00 44.20 H new ATOM 0 HB2 TYR A 14 -1.191 17.318 1.453 1.00 70.40 H new ATOM 0 HB3 TYR A 14 -2.370 16.527 2.480 1.00 70.40 H new ATOM 0 HD1 TYR A 14 1.384 16.838 2.784 1.00 51.41 H new ATOM 0 HD2 TYR A 14 -2.461 17.679 4.507 1.00 4.22 H new ATOM 0 HE1 TYR A 14 2.486 17.783 4.792 1.00 32.44 H new ATOM 0 HE2 TYR A 14 -1.355 18.620 6.516 1.00 14.02 H new ATOM 0 HH TYR A 14 0.572 19.093 7.536 1.00 54.24 H new ATOM 229 N VAL A 15 -1.625 13.275 2.986 1.00 4.53 N ATOM 230 CA VAL A 15 -2.593 12.205 3.243 1.00 71.33 C ATOM 231 C VAL A 15 -3.405 12.552 4.489 1.00 53.32 C ATOM 232 O VAL A 15 -2.829 12.853 5.534 1.00 20.53 O ATOM 233 CB VAL A 15 -1.846 10.884 3.467 1.00 53.40 C ATOM 234 CG1 VAL A 15 -2.796 9.829 4.047 1.00 74.51 C ATOM 235 CG2 VAL A 15 -1.285 10.381 2.137 1.00 64.10 C ATOM 0 H VAL A 15 -0.817 13.266 3.609 1.00 4.53 H new ATOM 0 HA VAL A 15 -3.262 12.101 2.389 1.00 71.33 H new ATOM 0 HB VAL A 15 -1.031 11.056 4.170 1.00 53.40 H new ATOM 0 HG11 VAL A 15 -2.253 8.896 4.201 1.00 74.51 H new ATOM 0 HG12 VAL A 15 -3.192 10.180 5.000 1.00 74.51 H new ATOM 0 HG13 VAL A 15 -3.619 9.659 3.353 1.00 74.51 H new ATOM 0 HG21 VAL A 15 -0.755 9.442 2.298 1.00 64.10 H new ATOM 0 HG22 VAL A 15 -2.103 10.220 1.435 1.00 64.10 H new ATOM 0 HG23 VAL A 15 -0.597 11.121 1.729 1.00 64.10 H new ATOM 245 N VAL A 16 -4.737 12.524 4.383 1.00 25.41 N ATOM 246 CA VAL A 16 -5.585 12.858 5.534 1.00 3.42 C ATOM 247 C VAL A 16 -6.629 11.791 5.816 1.00 0.22 C ATOM 248 O VAL A 16 -7.099 11.672 6.942 1.00 73.32 O ATOM 249 CB VAL A 16 -6.290 14.191 5.309 1.00 22.02 C ATOM 250 CG1 VAL A 16 -5.297 15.187 4.715 1.00 51.45 C ATOM 251 CG2 VAL A 16 -7.468 14.016 4.341 1.00 14.31 C ATOM 0 H VAL A 16 -5.244 12.279 3.532 1.00 25.41 H new ATOM 0 HA VAL A 16 -4.923 12.922 6.397 1.00 3.42 H new ATOM 0 HB VAL A 16 -6.668 14.559 6.263 1.00 22.02 H new ATOM 0 HG11 VAL A 16 -5.794 16.143 4.551 1.00 51.45 H new ATOM 0 HG12 VAL A 16 -4.464 15.325 5.404 1.00 51.45 H new ATOM 0 HG13 VAL A 16 -4.923 14.805 3.765 1.00 51.45 H new ATOM 0 HG21 VAL A 16 -7.961 14.976 4.191 1.00 14.31 H new ATOM 0 HG22 VAL A 16 -7.101 13.643 3.385 1.00 14.31 H new ATOM 0 HG23 VAL A 16 -8.180 13.304 4.759 1.00 14.31 H new ATOM 261 N ALA A 17 -7.021 11.033 4.804 1.00 23.12 N ATOM 262 CA ALA A 17 -8.038 10.005 5.013 1.00 1.31 C ATOM 263 C ALA A 17 -7.533 8.640 4.613 1.00 43.24 C ATOM 264 O ALA A 17 -6.556 8.505 3.874 1.00 62.14 O ATOM 265 CB ALA A 17 -9.296 10.322 4.216 1.00 64.12 C ATOM 0 H ALA A 17 -6.664 11.103 3.851 1.00 23.12 H new ATOM 0 HA ALA A 17 -8.272 9.996 6.078 1.00 1.31 H new ATOM 0 HB1 ALA A 17 -10.040 9.544 4.386 1.00 64.12 H new ATOM 0 HB2 ALA A 17 -9.697 11.284 4.536 1.00 64.12 H new ATOM 0 HB3 ALA A 17 -9.053 10.366 3.154 1.00 64.12 H new ATOM 271 N LEU A 18 -8.255 7.635 5.076 1.00 31.44 N ATOM 272 CA LEU A 18 -7.935 6.261 4.753 1.00 1.30 C ATOM 273 C LEU A 18 -9.183 5.395 4.809 1.00 42.24 C ATOM 274 O LEU A 18 -10.113 5.662 5.570 1.00 2.25 O ATOM 275 CB LEU A 18 -6.876 5.710 5.713 1.00 74.04 C ATOM 276 CG LEU A 18 -6.553 4.243 5.340 1.00 52.40 C ATOM 277 CD1 LEU A 18 -5.044 3.991 5.429 1.00 43.23 C ATOM 278 CD2 LEU A 18 -7.281 3.279 6.287 1.00 35.25 C ATOM 0 H LEU A 18 -9.070 7.748 5.679 1.00 31.44 H new ATOM 0 HA LEU A 18 -7.534 6.238 3.740 1.00 1.30 H new ATOM 0 HB2 LEU A 18 -5.972 6.317 5.661 1.00 74.04 H new ATOM 0 HB3 LEU A 18 -7.238 5.764 6.740 1.00 74.04 H new ATOM 0 HG LEU A 18 -6.890 4.070 4.318 1.00 52.40 H new ATOM 0 HD11 LEU A 18 -4.832 2.955 5.164 1.00 43.23 H new ATOM 0 HD12 LEU A 18 -4.523 4.656 4.740 1.00 43.23 H new ATOM 0 HD13 LEU A 18 -4.703 4.182 6.446 1.00 43.23 H new ATOM 0 HD21 LEU A 18 -7.044 2.251 6.012 1.00 35.25 H new ATOM 0 HD22 LEU A 18 -6.960 3.464 7.312 1.00 35.25 H new ATOM 0 HD23 LEU A 18 -8.357 3.436 6.210 1.00 35.25 H new ATOM 290 N ALA A 19 -9.172 4.339 4.011 1.00 24.41 N ATOM 291 CA ALA A 19 -10.272 3.393 3.965 1.00 63.42 C ATOM 292 C ALA A 19 -9.695 2.006 3.747 1.00 63.33 C ATOM 293 O ALA A 19 -8.711 1.849 3.032 1.00 42.42 O ATOM 294 CB ALA A 19 -11.243 3.753 2.830 1.00 14.53 C ATOM 0 H ALA A 19 -8.403 4.115 3.380 1.00 24.41 H new ATOM 0 HA ALA A 19 -10.829 3.423 4.901 1.00 63.42 H new ATOM 0 HB1 ALA A 19 -12.062 3.034 2.810 1.00 14.53 H new ATOM 0 HB2 ALA A 19 -11.643 4.753 2.997 1.00 14.53 H new ATOM 0 HB3 ALA A 19 -10.714 3.728 1.877 1.00 14.53 H new ATOM 300 N SER A 20 -10.286 1.007 4.376 1.00 0.51 N ATOM 301 CA SER A 20 -9.778 -0.353 4.231 1.00 4.42 C ATOM 302 C SER A 20 -10.761 -1.370 4.774 1.00 32.13 C ATOM 303 O SER A 20 -11.811 -1.020 5.306 1.00 33.34 O ATOM 304 CB SER A 20 -8.445 -0.490 4.967 1.00 3.13 C ATOM 305 OG SER A 20 -8.690 -0.666 6.355 1.00 70.42 O ATOM 0 H SER A 20 -11.102 1.103 4.981 1.00 0.51 H new ATOM 0 HA SER A 20 -9.636 -0.547 3.168 1.00 4.42 H new ATOM 0 HB2 SER A 20 -7.886 -1.339 4.574 1.00 3.13 H new ATOM 0 HB3 SER A 20 -7.834 0.398 4.804 1.00 3.13 H new ATOM 0 HG SER A 20 -8.294 -1.512 6.652 1.00 70.42 H new ATOM 311 N ASN A 21 -10.384 -2.634 4.666 1.00 0.42 N ATOM 312 CA ASN A 21 -11.204 -3.722 5.179 1.00 41.14 C ATOM 313 C ASN A 21 -10.521 -4.307 6.392 1.00 45.11 C ATOM 314 O ASN A 21 -11.100 -5.091 7.142 1.00 13.02 O ATOM 315 CB ASN A 21 -11.395 -4.799 4.110 1.00 20.01 C ATOM 316 CG ASN A 21 -12.524 -5.742 4.512 1.00 34.54 C ATOM 317 OD1 ASN A 21 -13.271 -5.454 5.447 1.00 64.24 O ATOM 318 ND2 ASN A 21 -12.695 -6.858 3.858 1.00 21.31 N ATOM 0 H ASN A 21 -9.513 -2.933 4.227 1.00 0.42 H new ATOM 0 HA ASN A 21 -12.188 -3.342 5.453 1.00 41.14 H new ATOM 0 HB2 ASN A 21 -11.623 -4.334 3.151 1.00 20.01 H new ATOM 0 HB3 ASN A 21 -10.470 -5.361 3.980 1.00 20.01 H new ATOM 0 HD21 ASN A 21 -13.448 -7.493 4.121 1.00 21.31 H new ATOM 0 HD22 ASN A 21 -12.075 -7.095 3.083 1.00 21.31 H new ATOM 325 N THR A 22 -9.276 -3.900 6.575 1.00 44.35 N ATOM 326 CA THR A 22 -8.492 -4.359 7.696 1.00 1.21 C ATOM 327 C THR A 22 -8.913 -3.620 8.962 1.00 74.35 C ATOM 328 O THR A 22 -8.475 -2.497 9.210 1.00 43.53 O ATOM 329 CB THR A 22 -7.004 -4.112 7.411 1.00 12.11 C ATOM 330 OG1 THR A 22 -6.802 -4.037 6.008 1.00 20.14 O ATOM 331 CG2 THR A 22 -6.177 -5.256 7.983 1.00 42.02 C ATOM 0 H THR A 22 -8.790 -3.251 5.956 1.00 44.35 H new ATOM 0 HA THR A 22 -8.658 -5.426 7.843 1.00 1.21 H new ATOM 0 HB THR A 22 -6.695 -3.176 7.876 1.00 12.11 H new ATOM 0 HG1 THR A 22 -6.289 -3.230 5.794 1.00 20.14 H new ATOM 0 HG21 THR A 22 -5.121 -5.079 7.780 1.00 42.02 H new ATOM 0 HG22 THR A 22 -6.334 -5.315 9.060 1.00 42.02 H new ATOM 0 HG23 THR A 22 -6.483 -6.194 7.519 1.00 42.02 H new ATOM 339 N GLU A 23 -9.779 -4.245 9.753 1.00 74.11 N ATOM 340 CA GLU A 23 -10.261 -3.615 10.977 1.00 5.13 C ATOM 341 C GLU A 23 -9.103 -2.939 11.700 1.00 54.41 C ATOM 342 O GLU A 23 -9.280 -1.933 12.385 1.00 64.23 O ATOM 343 CB GLU A 23 -10.895 -4.666 11.892 1.00 61.01 C ATOM 344 CG GLU A 23 -12.147 -5.235 11.224 1.00 70.33 C ATOM 345 CD GLU A 23 -12.834 -6.223 12.161 1.00 42.41 C ATOM 346 OE1 GLU A 23 -12.246 -6.553 13.177 1.00 32.22 O ATOM 347 OE2 GLU A 23 -13.939 -6.636 11.848 1.00 34.10 O ATOM 0 H GLU A 23 -10.157 -5.175 9.572 1.00 74.11 H new ATOM 0 HA GLU A 23 -11.011 -2.867 10.719 1.00 5.13 H new ATOM 0 HB2 GLU A 23 -10.182 -5.466 12.094 1.00 61.01 H new ATOM 0 HB3 GLU A 23 -11.153 -4.219 12.852 1.00 61.01 H new ATOM 0 HG2 GLU A 23 -12.832 -4.427 10.968 1.00 70.33 H new ATOM 0 HG3 GLU A 23 -11.878 -5.732 10.292 1.00 70.33 H new ATOM 354 N PHE A 24 -7.920 -3.508 11.532 1.00 24.12 N ATOM 355 CA PHE A 24 -6.716 -2.978 12.156 1.00 32.22 C ATOM 356 C PHE A 24 -6.426 -1.538 11.701 1.00 52.03 C ATOM 357 O PHE A 24 -6.125 -0.678 12.529 1.00 74.33 O ATOM 358 CB PHE A 24 -5.539 -3.911 11.815 1.00 73.33 C ATOM 359 CG PHE A 24 -4.237 -3.146 11.763 1.00 63.21 C ATOM 360 CD1 PHE A 24 -3.867 -2.479 10.590 1.00 62.14 C ATOM 361 CD2 PHE A 24 -3.401 -3.110 12.883 1.00 74.51 C ATOM 362 CE1 PHE A 24 -2.661 -1.775 10.536 1.00 43.44 C ATOM 363 CE2 PHE A 24 -2.194 -2.404 12.831 1.00 60.14 C ATOM 364 CZ PHE A 24 -1.823 -1.737 11.656 1.00 60.30 C ATOM 0 H PHE A 24 -7.767 -4.342 10.965 1.00 24.12 H new ATOM 0 HA PHE A 24 -6.860 -2.940 13.236 1.00 32.22 H new ATOM 0 HB2 PHE A 24 -5.470 -4.702 12.561 1.00 73.33 H new ATOM 0 HB3 PHE A 24 -5.720 -4.394 10.854 1.00 73.33 H new ATOM 0 HD1 PHE A 24 -4.514 -2.508 9.726 1.00 62.14 H new ATOM 0 HD2 PHE A 24 -3.687 -3.627 13.787 1.00 74.51 H new ATOM 0 HE1 PHE A 24 -2.376 -1.260 9.630 1.00 43.44 H new ATOM 0 HE2 PHE A 24 -1.549 -2.373 13.696 1.00 60.14 H new ATOM 0 HZ PHE A 24 -0.891 -1.194 11.615 1.00 60.30 H new ATOM 374 N PHE A 25 -6.479 -1.281 10.391 1.00 42.42 N ATOM 375 CA PHE A 25 -6.180 0.057 9.861 1.00 21.15 C ATOM 376 C PHE A 25 -7.181 1.117 10.338 1.00 75.20 C ATOM 377 O PHE A 25 -6.782 2.199 10.771 1.00 52.44 O ATOM 378 CB PHE A 25 -6.186 0.006 8.320 1.00 4.10 C ATOM 379 CG PHE A 25 -4.770 -0.060 7.780 1.00 60.03 C ATOM 380 CD1 PHE A 25 -3.872 0.980 8.049 1.00 52.25 C ATOM 381 CD2 PHE A 25 -4.359 -1.154 7.006 1.00 21.21 C ATOM 382 CE1 PHE A 25 -2.568 0.929 7.545 1.00 0.24 C ATOM 383 CE2 PHE A 25 -3.055 -1.203 6.502 1.00 70.01 C ATOM 384 CZ PHE A 25 -2.159 -0.162 6.772 1.00 14.41 C ATOM 0 H PHE A 25 -6.723 -1.973 9.682 1.00 42.42 H new ATOM 0 HA PHE A 25 -5.198 0.345 10.236 1.00 21.15 H new ATOM 0 HB2 PHE A 25 -6.750 -0.863 7.982 1.00 4.10 H new ATOM 0 HB3 PHE A 25 -6.691 0.887 7.924 1.00 4.10 H new ATOM 0 HD1 PHE A 25 -4.187 1.823 8.647 1.00 52.25 H new ATOM 0 HD2 PHE A 25 -5.049 -1.959 6.799 1.00 21.21 H new ATOM 0 HE1 PHE A 25 -1.877 1.733 7.753 1.00 0.24 H new ATOM 0 HE2 PHE A 25 -2.739 -2.045 5.904 1.00 70.01 H new ATOM 0 HZ PHE A 25 -1.152 -0.201 6.383 1.00 14.41 H new ATOM 394 N LEU A 26 -8.470 0.812 10.256 1.00 12.43 N ATOM 395 CA LEU A 26 -9.492 1.768 10.685 1.00 34.53 C ATOM 396 C LEU A 26 -9.392 1.977 12.193 1.00 2.45 C ATOM 397 O LEU A 26 -9.683 3.055 12.711 1.00 61.41 O ATOM 398 CB LEU A 26 -10.915 1.288 10.305 1.00 54.13 C ATOM 399 CG LEU A 26 -10.889 -0.174 9.830 1.00 31.12 C ATOM 400 CD1 LEU A 26 -12.297 -0.777 9.945 1.00 1.03 C ATOM 401 CD2 LEU A 26 -10.434 -0.233 8.365 1.00 21.53 C ATOM 0 H LEU A 26 -8.832 -0.074 9.903 1.00 12.43 H new ATOM 0 HA LEU A 26 -9.315 2.712 10.170 1.00 34.53 H new ATOM 0 HB2 LEU A 26 -11.578 1.384 11.165 1.00 54.13 H new ATOM 0 HB3 LEU A 26 -11.320 1.924 9.518 1.00 54.13 H new ATOM 0 HG LEU A 26 -10.195 -0.740 10.451 1.00 31.12 H new ATOM 0 HD11 LEU A 26 -12.278 -1.813 9.608 1.00 1.03 H new ATOM 0 HD12 LEU A 26 -12.625 -0.739 10.984 1.00 1.03 H new ATOM 0 HD13 LEU A 26 -12.989 -0.207 9.325 1.00 1.03 H new ATOM 0 HD21 LEU A 26 -10.416 -1.270 8.031 1.00 21.53 H new ATOM 0 HD22 LEU A 26 -11.127 0.336 7.746 1.00 21.53 H new ATOM 0 HD23 LEU A 26 -9.435 0.193 8.277 1.00 21.53 H new ATOM 413 N ARG A 27 -8.974 0.926 12.878 1.00 61.24 N ATOM 414 CA ARG A 27 -8.828 0.980 14.325 1.00 62.11 C ATOM 415 C ARG A 27 -7.697 1.929 14.722 1.00 73.41 C ATOM 416 O ARG A 27 -7.862 2.761 15.614 1.00 22.32 O ATOM 417 CB ARG A 27 -8.540 -0.420 14.874 1.00 32.31 C ATOM 418 CG ARG A 27 -8.473 -0.369 16.403 1.00 12.51 C ATOM 419 CD ARG A 27 -8.264 -1.780 16.953 1.00 12.43 C ATOM 420 NE ARG A 27 -9.394 -2.633 16.601 1.00 44.02 N ATOM 421 CZ ARG A 27 -9.488 -3.876 17.062 1.00 2.11 C ATOM 422 NH1 ARG A 27 -8.558 -4.352 17.844 1.00 32.54 N ATOM 423 NH2 ARG A 27 -10.508 -4.618 16.733 1.00 64.03 N ATOM 0 H ARG A 27 -8.730 0.028 12.459 1.00 61.24 H new ATOM 0 HA ARG A 27 -9.761 1.353 14.749 1.00 62.11 H new ATOM 0 HB2 ARG A 27 -9.319 -1.113 14.557 1.00 32.31 H new ATOM 0 HB3 ARG A 27 -7.598 -0.793 14.471 1.00 32.31 H new ATOM 0 HG2 ARG A 27 -7.657 0.281 16.720 1.00 12.51 H new ATOM 0 HG3 ARG A 27 -9.393 0.056 16.804 1.00 12.51 H new ATOM 0 HD2 ARG A 27 -7.342 -2.201 16.551 1.00 12.43 H new ATOM 0 HD3 ARG A 27 -8.152 -1.742 18.037 1.00 12.43 H new ATOM 0 HE ARG A 27 -10.125 -2.269 15.990 1.00 44.02 H new ATOM 0 HH11 ARG A 27 -7.760 -3.770 18.101 1.00 32.54 H new ATOM 0 HH12 ARG A 27 -8.629 -5.306 18.199 1.00 32.54 H new ATOM 0 HH21 ARG A 27 -11.234 -4.245 16.122 1.00 64.03 H new ATOM 0 HH22 ARG A 27 -10.580 -5.572 17.087 1.00 64.03 H new ATOM 437 N GLU A 28 -6.537 1.768 14.088 1.00 61.12 N ATOM 438 CA GLU A 28 -5.375 2.591 14.425 1.00 72.22 C ATOM 439 C GLU A 28 -5.357 3.950 13.715 1.00 61.24 C ATOM 440 O GLU A 28 -4.994 4.955 14.322 1.00 25.15 O ATOM 441 CB GLU A 28 -4.097 1.828 14.078 1.00 34.41 C ATOM 442 CG GLU A 28 -4.020 0.552 14.917 1.00 20.22 C ATOM 443 CD GLU A 28 -2.689 -0.153 14.675 1.00 32.23 C ATOM 444 OE1 GLU A 28 -2.020 0.200 13.718 1.00 4.12 O ATOM 445 OE2 GLU A 28 -2.358 -1.034 15.452 1.00 23.34 O ATOM 0 H GLU A 28 -6.376 1.085 13.348 1.00 61.12 H new ATOM 0 HA GLU A 28 -5.438 2.795 15.494 1.00 72.22 H new ATOM 0 HB2 GLU A 28 -4.086 1.579 13.017 1.00 34.41 H new ATOM 0 HB3 GLU A 28 -3.225 2.454 14.268 1.00 34.41 H new ATOM 0 HG2 GLU A 28 -4.125 0.795 15.974 1.00 20.22 H new ATOM 0 HG3 GLU A 28 -4.845 -0.112 14.660 1.00 20.22 H new ATOM 452 N LYS A 29 -5.717 4.006 12.438 1.00 62.34 N ATOM 453 CA LYS A 29 -5.676 5.286 11.732 1.00 12.14 C ATOM 454 C LYS A 29 -6.647 6.292 12.333 1.00 12.10 C ATOM 455 O LYS A 29 -6.369 7.491 12.360 1.00 42.03 O ATOM 456 CB LYS A 29 -6.000 5.085 10.251 1.00 12.14 C ATOM 457 CG LYS A 29 -4.863 4.310 9.566 1.00 54.21 C ATOM 458 CD LYS A 29 -3.694 5.245 9.199 1.00 52.41 C ATOM 459 CE LYS A 29 -4.162 6.347 8.235 1.00 71.02 C ATOM 460 NZ LYS A 29 -3.085 6.630 7.247 1.00 4.24 N ATOM 0 H LYS A 29 -6.031 3.210 11.883 1.00 62.34 H new ATOM 0 HA LYS A 29 -4.666 5.684 11.836 1.00 12.14 H new ATOM 0 HB2 LYS A 29 -6.938 4.540 10.146 1.00 12.14 H new ATOM 0 HB3 LYS A 29 -6.137 6.051 9.766 1.00 12.14 H new ATOM 0 HG2 LYS A 29 -4.507 3.521 10.228 1.00 54.21 H new ATOM 0 HG3 LYS A 29 -5.241 3.825 8.666 1.00 54.21 H new ATOM 0 HD2 LYS A 29 -3.285 5.696 10.103 1.00 52.41 H new ATOM 0 HD3 LYS A 29 -2.892 4.669 8.738 1.00 52.41 H new ATOM 0 HE2 LYS A 29 -5.070 6.033 7.720 1.00 71.02 H new ATOM 0 HE3 LYS A 29 -4.407 7.252 8.791 1.00 71.02 H new ATOM 0 HZ1 LYS A 29 -3.430 7.314 6.543 1.00 4.24 H new ATOM 0 HZ2 LYS A 29 -2.259 7.027 7.738 1.00 4.24 H new ATOM 0 HZ3 LYS A 29 -2.813 5.748 6.768 1.00 4.24 H new ATOM 474 N ASP A 30 -7.775 5.805 12.820 1.00 61.12 N ATOM 475 CA ASP A 30 -8.765 6.684 13.425 1.00 31.04 C ATOM 476 C ASP A 30 -8.127 7.437 14.580 1.00 22.34 C ATOM 477 O ASP A 30 -8.648 8.450 15.048 1.00 75.40 O ATOM 478 CB ASP A 30 -9.956 5.869 13.931 1.00 54.12 C ATOM 479 CG ASP A 30 -11.040 6.802 14.457 1.00 34.40 C ATOM 480 OD1 ASP A 30 -10.876 8.004 14.324 1.00 43.42 O ATOM 481 OD2 ASP A 30 -12.020 6.303 14.986 1.00 31.51 O ATOM 0 H ASP A 30 -8.028 4.817 12.810 1.00 61.12 H new ATOM 0 HA ASP A 30 -9.120 7.393 12.678 1.00 31.04 H new ATOM 0 HB2 ASP A 30 -10.355 5.253 13.125 1.00 54.12 H new ATOM 0 HB3 ASP A 30 -9.634 5.191 14.721 1.00 54.12 H new ATOM 486 N LYS A 31 -6.998 6.912 15.042 1.00 11.42 N ATOM 487 CA LYS A 31 -6.274 7.502 16.159 1.00 74.21 C ATOM 488 C LYS A 31 -5.131 8.399 15.676 1.00 35.44 C ATOM 489 O LYS A 31 -4.728 9.321 16.386 1.00 11.52 O ATOM 490 CB LYS A 31 -5.729 6.364 17.043 1.00 14.20 C ATOM 491 CG LYS A 31 -4.771 6.895 18.137 1.00 55.22 C ATOM 492 CD LYS A 31 -3.345 6.375 17.901 1.00 42.03 C ATOM 493 CE LYS A 31 -2.733 7.043 16.665 1.00 54.34 C ATOM 494 NZ LYS A 31 -1.283 6.701 16.605 1.00 63.23 N ATOM 0 H LYS A 31 -6.563 6.074 14.657 1.00 11.42 H new ATOM 0 HA LYS A 31 -6.954 8.131 16.733 1.00 74.21 H new ATOM 0 HB2 LYS A 31 -6.560 5.838 17.512 1.00 14.20 H new ATOM 0 HB3 LYS A 31 -5.204 5.640 16.420 1.00 14.20 H new ATOM 0 HG2 LYS A 31 -4.772 7.985 18.132 1.00 55.22 H new ATOM 0 HG3 LYS A 31 -5.121 6.580 19.120 1.00 55.22 H new ATOM 0 HD2 LYS A 31 -2.727 6.578 18.776 1.00 42.03 H new ATOM 0 HD3 LYS A 31 -3.363 5.293 17.767 1.00 42.03 H new ATOM 0 HE2 LYS A 31 -3.239 6.702 15.762 1.00 54.34 H new ATOM 0 HE3 LYS A 31 -2.864 8.124 16.716 1.00 54.34 H new ATOM 0 HZ1 LYS A 31 -0.786 7.399 16.015 1.00 63.23 H new ATOM 0 HZ2 LYS A 31 -0.884 6.712 17.565 1.00 63.23 H new ATOM 0 HZ3 LYS A 31 -1.167 5.753 16.192 1.00 63.23 H new ATOM 508 N MET A 32 -4.609 8.161 14.469 1.00 30.10 N ATOM 509 CA MET A 32 -3.511 8.990 13.956 1.00 72.42 C ATOM 510 C MET A 32 -4.029 10.310 13.394 1.00 62.55 C ATOM 511 O MET A 32 -5.208 10.642 13.526 1.00 33.21 O ATOM 512 CB MET A 32 -2.746 8.218 12.855 1.00 13.44 C ATOM 513 CG MET A 32 -1.380 7.726 13.371 1.00 2.54 C ATOM 514 SD MET A 32 -0.950 6.167 12.559 1.00 1.31 S ATOM 515 CE MET A 32 -1.889 5.085 13.664 1.00 35.13 C ATOM 0 H MET A 32 -4.919 7.420 13.841 1.00 30.10 H new ATOM 0 HA MET A 32 -2.839 9.215 14.784 1.00 72.42 H new ATOM 0 HB2 MET A 32 -3.341 7.367 12.523 1.00 13.44 H new ATOM 0 HB3 MET A 32 -2.600 8.863 11.988 1.00 13.44 H new ATOM 0 HG2 MET A 32 -0.613 8.475 13.172 1.00 2.54 H new ATOM 0 HG3 MET A 32 -1.417 7.587 14.451 1.00 2.54 H new ATOM 0 HE1 MET A 32 -2.369 4.299 13.082 1.00 35.13 H new ATOM 0 HE2 MET A 32 -1.215 4.636 14.393 1.00 35.13 H new ATOM 0 HE3 MET A 32 -2.650 5.668 14.184 1.00 35.13 H new ATOM 525 N LYS A 33 -3.120 11.058 12.771 1.00 62.22 N ATOM 526 CA LYS A 33 -3.458 12.352 12.186 1.00 53.41 C ATOM 527 C LYS A 33 -2.975 12.426 10.739 1.00 73.13 C ATOM 528 O LYS A 33 -2.752 11.401 10.093 1.00 14.11 O ATOM 529 CB LYS A 33 -2.806 13.473 12.996 1.00 34.43 C ATOM 530 CG LYS A 33 -3.174 13.329 14.476 1.00 63.31 C ATOM 531 CD LYS A 33 -2.244 14.204 15.319 1.00 1.24 C ATOM 532 CE LYS A 33 -2.826 14.364 16.724 1.00 65.24 C ATOM 533 NZ LYS A 33 -3.079 13.018 17.312 1.00 24.45 N ATOM 0 H LYS A 33 -2.143 10.789 12.659 1.00 62.22 H new ATOM 0 HA LYS A 33 -4.542 12.469 12.205 1.00 53.41 H new ATOM 0 HB2 LYS A 33 -1.723 13.437 12.876 1.00 34.43 H new ATOM 0 HB3 LYS A 33 -3.136 14.442 12.623 1.00 34.43 H new ATOM 0 HG2 LYS A 33 -4.211 13.624 14.634 1.00 63.31 H new ATOM 0 HG3 LYS A 33 -3.088 12.287 14.784 1.00 63.31 H new ATOM 0 HD2 LYS A 33 -1.254 13.752 15.374 1.00 1.24 H new ATOM 0 HD3 LYS A 33 -2.123 15.181 14.851 1.00 1.24 H new ATOM 0 HE2 LYS A 33 -2.135 14.924 17.354 1.00 65.24 H new ATOM 0 HE3 LYS A 33 -3.754 14.935 16.682 1.00 65.24 H new ATOM 0 HZ1 LYS A 33 -3.162 13.101 18.345 1.00 24.45 H new ATOM 0 HZ2 LYS A 33 -3.962 12.630 16.924 1.00 24.45 H new ATOM 0 HZ3 LYS A 33 -2.290 12.383 17.078 1.00 24.45 H new ATOM 547 N MET A 34 -2.849 13.648 10.227 1.00 52.04 N ATOM 548 CA MET A 34 -2.436 13.889 8.856 1.00 41.01 C ATOM 549 C MET A 34 -1.034 13.360 8.549 1.00 31.30 C ATOM 550 O MET A 34 -0.090 13.592 9.304 1.00 25.12 O ATOM 551 CB MET A 34 -2.435 15.409 8.665 1.00 51.41 C ATOM 552 CG MET A 34 -2.420 15.781 7.174 1.00 3.23 C ATOM 553 SD MET A 34 -3.531 17.189 6.886 1.00 10.01 S ATOM 554 CE MET A 34 -5.061 16.443 7.501 1.00 72.31 C ATOM 0 H MET A 34 -3.032 14.499 10.758 1.00 52.04 H new ATOM 0 HA MET A 34 -3.121 13.369 8.186 1.00 41.01 H new ATOM 0 HB2 MET A 34 -3.316 15.839 9.141 1.00 51.41 H new ATOM 0 HB3 MET A 34 -1.564 15.840 9.159 1.00 51.41 H new ATOM 0 HG2 MET A 34 -1.407 16.035 6.862 1.00 3.23 H new ATOM 0 HG3 MET A 34 -2.734 14.928 6.573 1.00 3.23 H new ATOM 0 HE1 MET A 34 -5.888 16.714 6.844 1.00 72.31 H new ATOM 0 HE2 MET A 34 -4.954 15.358 7.522 1.00 72.31 H new ATOM 0 HE3 MET A 34 -5.264 16.807 8.508 1.00 72.31 H new ATOM 564 N ALA A 35 -0.910 12.667 7.411 1.00 10.11 N ATOM 565 CA ALA A 35 0.371 12.123 6.969 1.00 23.14 C ATOM 566 C ALA A 35 0.816 12.861 5.706 1.00 12.22 C ATOM 567 O ALA A 35 0.014 13.550 5.077 1.00 13.14 O ATOM 568 CB ALA A 35 0.235 10.619 6.689 1.00 71.43 C ATOM 0 H ALA A 35 -1.687 12.471 6.780 1.00 10.11 H new ATOM 0 HA ALA A 35 1.118 12.260 7.751 1.00 23.14 H new ATOM 0 HB1 ALA A 35 1.195 10.222 6.360 1.00 71.43 H new ATOM 0 HB2 ALA A 35 -0.077 10.106 7.599 1.00 71.43 H new ATOM 0 HB3 ALA A 35 -0.510 10.460 5.909 1.00 71.43 H new ATOM 574 N MET A 36 2.094 12.737 5.349 1.00 63.32 N ATOM 575 CA MET A 36 2.617 13.431 4.166 1.00 43.35 C ATOM 576 C MET A 36 3.406 12.473 3.275 1.00 13.15 C ATOM 577 O MET A 36 3.806 11.389 3.703 1.00 70.33 O ATOM 578 CB MET A 36 3.513 14.618 4.589 1.00 11.10 C ATOM 579 CG MET A 36 3.769 14.584 6.099 1.00 54.52 C ATOM 580 SD MET A 36 2.273 15.088 6.983 1.00 24.42 S ATOM 581 CE MET A 36 2.774 14.499 8.619 1.00 34.32 C ATOM 0 H MET A 36 2.779 12.172 5.851 1.00 63.32 H new ATOM 0 HA MET A 36 1.769 13.812 3.597 1.00 43.35 H new ATOM 0 HB2 MET A 36 4.461 14.576 4.052 1.00 11.10 H new ATOM 0 HB3 MET A 36 3.034 15.558 4.316 1.00 11.10 H new ATOM 0 HG2 MET A 36 4.063 13.580 6.405 1.00 54.52 H new ATOM 0 HG3 MET A 36 4.594 15.249 6.353 1.00 54.52 H new ATOM 0 HE1 MET A 36 2.081 14.878 9.370 1.00 34.32 H new ATOM 0 HE2 MET A 36 2.763 13.409 8.633 1.00 34.32 H new ATOM 0 HE3 MET A 36 3.780 14.854 8.841 1.00 34.32 H new ATOM 591 N ALA A 37 3.612 12.889 2.027 1.00 23.03 N ATOM 592 CA ALA A 37 4.340 12.070 1.062 1.00 4.22 C ATOM 593 C ALA A 37 4.954 12.929 -0.046 1.00 14.13 C ATOM 594 O ALA A 37 4.552 14.069 -0.252 1.00 55.43 O ATOM 595 CB ALA A 37 3.384 11.046 0.445 1.00 43.11 C ATOM 0 H ALA A 37 3.287 13.784 1.662 1.00 23.03 H new ATOM 0 HA ALA A 37 5.150 11.562 1.585 1.00 4.22 H new ATOM 0 HB1 ALA A 37 3.924 10.433 -0.276 1.00 43.11 H new ATOM 0 HB2 ALA A 37 2.977 10.409 1.230 1.00 43.11 H new ATOM 0 HB3 ALA A 37 2.570 11.566 -0.059 1.00 43.11 H new ATOM 601 N ARG A 38 5.939 12.369 -0.747 1.00 71.23 N ATOM 602 CA ARG A 38 6.612 13.086 -1.832 1.00 71.55 C ATOM 603 C ARG A 38 6.805 12.147 -3.010 1.00 41.13 C ATOM 604 O ARG A 38 7.264 11.022 -2.831 1.00 54.42 O ATOM 605 CB ARG A 38 7.971 13.603 -1.355 1.00 44.23 C ATOM 606 CG ARG A 38 7.778 14.482 -0.119 1.00 31.14 C ATOM 607 CD ARG A 38 9.137 14.985 0.369 1.00 71.12 C ATOM 608 NE ARG A 38 9.706 15.920 -0.596 1.00 14.31 N ATOM 609 CZ ARG A 38 10.809 16.607 -0.318 1.00 0.45 C ATOM 610 NH1 ARG A 38 11.401 16.452 0.834 1.00 52.25 N ATOM 611 NH2 ARG A 38 11.299 17.437 -1.198 1.00 50.34 N ATOM 0 H ARG A 38 6.289 11.425 -0.585 1.00 71.23 H new ATOM 0 HA ARG A 38 6.000 13.935 -2.137 1.00 71.55 H new ATOM 0 HB2 ARG A 38 8.628 12.766 -1.120 1.00 44.23 H new ATOM 0 HB3 ARG A 38 8.454 14.174 -2.148 1.00 44.23 H new ATOM 0 HG2 ARG A 38 7.131 15.326 -0.358 1.00 31.14 H new ATOM 0 HG3 ARG A 38 7.284 13.915 0.670 1.00 31.14 H new ATOM 0 HD2 ARG A 38 9.026 15.473 1.337 1.00 71.12 H new ATOM 0 HD3 ARG A 38 9.814 14.143 0.513 1.00 71.12 H new ATOM 0 HE ARG A 38 9.249 16.048 -1.499 1.00 14.31 H new ATOM 0 HH11 ARG A 38 11.017 15.803 1.521 1.00 52.25 H new ATOM 0 HH12 ARG A 38 12.248 16.979 1.047 1.00 52.25 H new ATOM 0 HH21 ARG A 38 10.835 17.558 -2.098 1.00 50.34 H new ATOM 0 HH22 ARG A 38 12.146 17.965 -0.985 1.00 50.34 H new ATOM 625 N ILE A 39 6.433 12.589 -4.210 1.00 41.44 N ATOM 626 CA ILE A 39 6.534 11.775 -5.415 1.00 43.23 C ATOM 627 C ILE A 39 7.526 12.412 -6.386 1.00 20.53 C ATOM 628 O ILE A 39 7.581 13.637 -6.494 1.00 42.23 O ATOM 629 CB ILE A 39 5.148 11.738 -6.007 1.00 63.50 C ATOM 630 CG1 ILE A 39 5.007 10.786 -7.192 1.00 44.50 C ATOM 631 CG2 ILE A 39 4.777 13.108 -6.451 1.00 14.25 C ATOM 632 CD1 ILE A 39 3.524 10.388 -7.290 1.00 31.03 C ATOM 0 H ILE A 39 6.053 13.522 -4.372 1.00 41.44 H new ATOM 0 HA ILE A 39 6.893 10.768 -5.201 1.00 43.23 H new ATOM 0 HB ILE A 39 4.485 11.368 -5.224 1.00 63.50 H new ATOM 0 HG12 ILE A 39 5.336 11.268 -8.113 1.00 44.50 H new ATOM 0 HG13 ILE A 39 5.632 9.904 -7.052 1.00 44.50 H new ATOM 0 HG21 ILE A 39 3.776 13.092 -6.881 1.00 14.25 H new ATOM 0 HG22 ILE A 39 4.794 13.785 -5.597 1.00 14.25 H new ATOM 0 HG23 ILE A 39 5.489 13.453 -7.201 1.00 14.25 H new ATOM 0 HD11 ILE A 39 3.385 9.706 -8.129 1.00 31.03 H new ATOM 0 HD12 ILE A 39 3.218 9.896 -6.367 1.00 31.03 H new ATOM 0 HD13 ILE A 39 2.917 11.280 -7.444 1.00 31.03 H new ATOM 644 N SER A 40 8.312 11.606 -7.083 1.00 43.21 N ATOM 645 CA SER A 40 9.280 12.166 -8.025 1.00 34.01 C ATOM 646 C SER A 40 9.404 11.290 -9.264 1.00 3.51 C ATOM 647 O SER A 40 9.189 10.079 -9.209 1.00 21.34 O ATOM 648 CB SER A 40 10.631 12.329 -7.341 1.00 15.42 C ATOM 649 OG SER A 40 11.441 11.193 -7.608 1.00 73.23 O ATOM 0 H SER A 40 8.304 10.588 -7.021 1.00 43.21 H new ATOM 0 HA SER A 40 8.927 13.146 -8.347 1.00 34.01 H new ATOM 0 HB2 SER A 40 11.125 13.232 -7.699 1.00 15.42 H new ATOM 0 HB3 SER A 40 10.494 12.446 -6.266 1.00 15.42 H new ATOM 0 HG SER A 40 12.310 11.300 -7.168 1.00 73.23 H new ATOM 655 N PHE A 41 9.699 11.928 -10.395 1.00 33.43 N ATOM 656 CA PHE A 41 9.789 11.218 -11.666 1.00 3.22 C ATOM 657 C PHE A 41 11.177 10.651 -11.960 1.00 61.31 C ATOM 658 O PHE A 41 11.993 11.296 -12.619 1.00 63.23 O ATOM 659 CB PHE A 41 9.387 12.165 -12.798 1.00 44.51 C ATOM 660 CG PHE A 41 8.180 12.963 -12.372 1.00 2.51 C ATOM 661 CD1 PHE A 41 6.912 12.373 -12.383 1.00 14.20 C ATOM 662 CD2 PHE A 41 8.329 14.293 -11.959 1.00 74.50 C ATOM 663 CE1 PHE A 41 5.792 13.111 -11.983 1.00 52.42 C ATOM 664 CE2 PHE A 41 7.210 15.031 -11.557 1.00 32.43 C ATOM 665 CZ PHE A 41 5.941 14.440 -11.569 1.00 30.32 C ATOM 0 H PHE A 41 9.879 12.930 -10.456 1.00 33.43 H new ATOM 0 HA PHE A 41 9.112 10.366 -11.595 1.00 3.22 H new ATOM 0 HB2 PHE A 41 10.213 12.834 -13.039 1.00 44.51 H new ATOM 0 HB3 PHE A 41 9.162 11.597 -13.701 1.00 44.51 H new ATOM 0 HD1 PHE A 41 6.797 11.347 -12.700 1.00 14.20 H new ATOM 0 HD2 PHE A 41 9.308 14.749 -11.951 1.00 74.50 H new ATOM 0 HE1 PHE A 41 4.813 12.655 -11.994 1.00 52.42 H new ATOM 0 HE2 PHE A 41 7.325 16.056 -11.238 1.00 32.43 H new ATOM 0 HZ PHE A 41 5.077 15.009 -11.259 1.00 30.32 H new ATOM 675 N LEU A 42 11.419 9.417 -11.518 1.00 2.12 N ATOM 676 CA LEU A 42 12.693 8.763 -11.808 1.00 72.44 C ATOM 677 C LEU A 42 12.797 8.602 -13.316 1.00 54.23 C ATOM 678 O LEU A 42 13.816 8.907 -13.935 1.00 51.04 O ATOM 679 CB LEU A 42 12.757 7.372 -11.172 1.00 61.51 C ATOM 680 CG LEU A 42 12.582 7.458 -9.654 1.00 61.51 C ATOM 681 CD1 LEU A 42 12.196 6.075 -9.117 1.00 63.32 C ATOM 682 CD2 LEU A 42 13.895 7.911 -9.004 1.00 63.11 C ATOM 0 H LEU A 42 10.764 8.860 -10.969 1.00 2.12 H new ATOM 0 HA LEU A 42 13.505 9.368 -11.405 1.00 72.44 H new ATOM 0 HB2 LEU A 42 11.979 6.737 -11.597 1.00 61.51 H new ATOM 0 HB3 LEU A 42 13.713 6.904 -11.406 1.00 61.51 H new ATOM 0 HG LEU A 42 11.800 8.179 -9.417 1.00 61.51 H new ATOM 0 HD11 LEU A 42 12.069 6.127 -8.036 1.00 63.32 H new ATOM 0 HD12 LEU A 42 11.261 5.754 -9.577 1.00 63.32 H new ATOM 0 HD13 LEU A 42 12.983 5.359 -9.356 1.00 63.32 H new ATOM 0 HD21 LEU A 42 13.765 7.970 -7.923 1.00 63.11 H new ATOM 0 HD22 LEU A 42 14.682 7.193 -9.236 1.00 63.11 H new ATOM 0 HD23 LEU A 42 14.173 8.892 -9.390 1.00 63.11 H new ATOM 694 N GLY A 43 11.698 8.120 -13.882 1.00 60.32 N ATOM 695 CA GLY A 43 11.577 7.898 -15.313 1.00 4.13 C ATOM 696 C GLY A 43 10.101 7.752 -15.673 1.00 10.42 C ATOM 697 O GLY A 43 9.273 7.490 -14.802 1.00 70.23 O ATOM 0 H GLY A 43 10.861 7.871 -13.355 1.00 60.32 H new ATOM 0 HA2 GLY A 43 12.017 8.731 -15.861 1.00 4.13 H new ATOM 0 HA3 GLY A 43 12.125 7.001 -15.602 1.00 4.13 H new ATOM 701 N GLU A 44 9.769 7.928 -16.943 1.00 52.23 N ATOM 702 CA GLU A 44 8.378 7.817 -17.371 1.00 24.11 C ATOM 703 C GLU A 44 7.760 6.511 -16.875 1.00 62.20 C ATOM 704 O GLU A 44 6.546 6.420 -16.698 1.00 20.44 O ATOM 705 CB GLU A 44 8.291 7.879 -18.897 1.00 74.44 C ATOM 706 CG GLU A 44 8.809 9.235 -19.384 1.00 21.21 C ATOM 707 CD GLU A 44 7.871 10.347 -18.926 1.00 63.53 C ATOM 708 OE1 GLU A 44 6.756 10.035 -18.543 1.00 52.21 O ATOM 709 OE2 GLU A 44 8.282 11.495 -18.965 1.00 53.03 O ATOM 0 H GLU A 44 10.431 8.145 -17.688 1.00 52.23 H new ATOM 0 HA GLU A 44 7.823 8.651 -16.942 1.00 24.11 H new ATOM 0 HB2 GLU A 44 8.878 7.074 -19.338 1.00 74.44 H new ATOM 0 HB3 GLU A 44 7.260 7.735 -19.219 1.00 74.44 H new ATOM 0 HG2 GLU A 44 9.812 9.411 -18.996 1.00 21.21 H new ATOM 0 HG3 GLU A 44 8.884 9.236 -20.471 1.00 21.21 H new ATOM 716 N ASP A 45 8.602 5.503 -16.654 1.00 54.34 N ATOM 717 CA ASP A 45 8.127 4.202 -16.178 1.00 12.35 C ATOM 718 C ASP A 45 8.638 3.923 -14.767 1.00 32.33 C ATOM 719 O ASP A 45 8.588 2.787 -14.296 1.00 33.21 O ATOM 720 CB ASP A 45 8.609 3.096 -17.119 1.00 64.25 C ATOM 721 CG ASP A 45 10.103 3.245 -17.382 1.00 13.43 C ATOM 722 OD1 ASP A 45 10.548 4.371 -17.536 1.00 60.21 O ATOM 723 OD2 ASP A 45 10.781 2.232 -17.426 1.00 70.34 O ATOM 0 H ASP A 45 9.611 5.560 -16.795 1.00 54.34 H new ATOM 0 HA ASP A 45 7.037 4.221 -16.161 1.00 12.35 H new ATOM 0 HB2 ASP A 45 8.405 2.120 -16.680 1.00 64.25 H new ATOM 0 HB3 ASP A 45 8.060 3.143 -18.059 1.00 64.25 H new ATOM 728 N GLU A 46 9.131 4.962 -14.098 1.00 53.15 N ATOM 729 CA GLU A 46 9.651 4.807 -12.741 1.00 74.25 C ATOM 730 C GLU A 46 9.470 6.095 -11.939 1.00 61.30 C ATOM 731 O GLU A 46 9.874 7.166 -12.380 1.00 13.22 O ATOM 732 CB GLU A 46 11.138 4.447 -12.793 1.00 64.21 C ATOM 733 CG GLU A 46 11.320 3.121 -13.535 1.00 24.42 C ATOM 734 CD GLU A 46 12.734 2.594 -13.320 1.00 35.14 C ATOM 735 OE1 GLU A 46 13.536 3.320 -12.755 1.00 52.34 O ATOM 736 OE2 GLU A 46 12.996 1.472 -13.724 1.00 23.21 O ATOM 0 H GLU A 46 9.182 5.911 -14.468 1.00 53.15 H new ATOM 0 HA GLU A 46 9.095 4.008 -12.251 1.00 74.25 H new ATOM 0 HB2 GLU A 46 11.696 5.236 -13.296 1.00 64.21 H new ATOM 0 HB3 GLU A 46 11.539 4.368 -11.782 1.00 64.21 H new ATOM 0 HG2 GLU A 46 10.593 2.392 -13.178 1.00 24.42 H new ATOM 0 HG3 GLU A 46 11.133 3.262 -14.600 1.00 24.42 H new ATOM 743 N LEU A 47 8.876 5.972 -10.748 1.00 42.34 N ATOM 744 CA LEU A 47 8.657 7.125 -9.866 1.00 73.12 C ATOM 745 C LEU A 47 8.989 6.753 -8.420 1.00 74.24 C ATOM 746 O LEU A 47 8.816 5.606 -8.008 1.00 72.11 O ATOM 747 CB LEU A 47 7.210 7.654 -9.933 1.00 13.24 C ATOM 748 CG LEU A 47 6.550 7.339 -11.281 1.00 23.31 C ATOM 749 CD1 LEU A 47 5.116 7.865 -11.235 1.00 73.04 C ATOM 750 CD2 LEU A 47 7.298 8.027 -12.440 1.00 3.41 C ATOM 0 H LEU A 47 8.538 5.086 -10.372 1.00 42.34 H new ATOM 0 HA LEU A 47 9.319 7.918 -10.214 1.00 73.12 H new ATOM 0 HB2 LEU A 47 6.623 7.210 -9.129 1.00 13.24 H new ATOM 0 HB3 LEU A 47 7.209 8.732 -9.771 1.00 13.24 H new ATOM 0 HG LEU A 47 6.575 6.263 -11.451 1.00 23.31 H new ATOM 0 HD11 LEU A 47 4.621 7.655 -12.183 1.00 73.04 H new ATOM 0 HD12 LEU A 47 4.574 7.375 -10.426 1.00 73.04 H new ATOM 0 HD13 LEU A 47 5.129 8.941 -11.063 1.00 73.04 H new ATOM 0 HD21 LEU A 47 6.808 7.786 -13.383 1.00 3.41 H new ATOM 0 HD22 LEU A 47 7.286 9.107 -12.291 1.00 3.41 H new ATOM 0 HD23 LEU A 47 8.329 7.676 -12.467 1.00 3.41 H new ATOM 762 N LYS A 48 9.450 7.738 -7.655 1.00 13.33 N ATOM 763 CA LYS A 48 9.789 7.525 -6.247 1.00 62.51 C ATOM 764 C LYS A 48 8.729 8.166 -5.353 1.00 21.24 C ATOM 765 O LYS A 48 8.521 9.373 -5.426 1.00 54.31 O ATOM 766 CB LYS A 48 11.156 8.152 -5.947 1.00 12.22 C ATOM 767 CG LYS A 48 11.746 7.533 -4.676 1.00 14.03 C ATOM 768 CD LYS A 48 12.912 8.394 -4.178 1.00 11.31 C ATOM 769 CE LYS A 48 14.005 8.453 -5.246 1.00 11.23 C ATOM 770 NZ LYS A 48 15.273 8.939 -4.631 1.00 45.31 N ATOM 0 H LYS A 48 9.598 8.692 -7.984 1.00 13.33 H new ATOM 0 HA LYS A 48 9.826 6.454 -6.048 1.00 62.51 H new ATOM 0 HB2 LYS A 48 11.832 7.992 -6.787 1.00 12.22 H new ATOM 0 HB3 LYS A 48 11.052 9.230 -5.823 1.00 12.22 H new ATOM 0 HG2 LYS A 48 10.979 7.461 -3.905 1.00 14.03 H new ATOM 0 HG3 LYS A 48 12.090 6.519 -4.879 1.00 14.03 H new ATOM 0 HD2 LYS A 48 12.561 9.400 -3.948 1.00 11.31 H new ATOM 0 HD3 LYS A 48 13.315 7.978 -3.255 1.00 11.31 H new ATOM 0 HE2 LYS A 48 14.155 7.466 -5.683 1.00 11.23 H new ATOM 0 HE3 LYS A 48 13.702 9.118 -6.055 1.00 11.23 H new ATOM 0 HZ1 LYS A 48 16.017 8.980 -5.356 1.00 45.31 H new ATOM 0 HZ2 LYS A 48 15.124 9.889 -4.234 1.00 45.31 H new ATOM 0 HZ3 LYS A 48 15.563 8.288 -3.873 1.00 45.31 H new ATOM 784 N VAL A 49 8.079 7.367 -4.491 1.00 22.31 N ATOM 785 CA VAL A 49 7.061 7.909 -3.578 1.00 23.45 C ATOM 786 C VAL A 49 7.485 7.700 -2.138 1.00 74.44 C ATOM 787 O VAL A 49 8.050 6.671 -1.769 1.00 64.34 O ATOM 788 CB VAL A 49 5.662 7.309 -3.868 1.00 44.22 C ATOM 789 CG1 VAL A 49 4.790 7.222 -2.609 1.00 43.52 C ATOM 790 CG2 VAL A 49 4.945 8.221 -4.848 1.00 54.13 C ATOM 0 H VAL A 49 8.236 6.363 -4.408 1.00 22.31 H new ATOM 0 HA VAL A 49 6.978 8.982 -3.749 1.00 23.45 H new ATOM 0 HB VAL A 49 5.811 6.303 -4.260 1.00 44.22 H new ATOM 0 HG11 VAL A 49 3.821 6.795 -2.867 1.00 43.52 H new ATOM 0 HG12 VAL A 49 5.281 6.589 -1.870 1.00 43.52 H new ATOM 0 HG13 VAL A 49 4.648 8.220 -2.195 1.00 43.52 H new ATOM 0 HG21 VAL A 49 3.957 7.816 -5.066 1.00 54.13 H new ATOM 0 HG22 VAL A 49 4.842 9.215 -4.412 1.00 54.13 H new ATOM 0 HG23 VAL A 49 5.521 8.288 -5.771 1.00 54.13 H new ATOM 800 N SER A 50 7.247 8.736 -1.352 1.00 11.12 N ATOM 801 CA SER A 50 7.634 8.761 0.046 1.00 24.33 C ATOM 802 C SER A 50 6.424 8.817 0.963 1.00 71.12 C ATOM 803 O SER A 50 5.422 9.445 0.632 1.00 3.43 O ATOM 804 CB SER A 50 8.467 10.012 0.250 1.00 43.41 C ATOM 805 OG SER A 50 9.110 9.963 1.516 1.00 33.34 O ATOM 0 H SER A 50 6.779 9.585 -1.667 1.00 11.12 H new ATOM 0 HA SER A 50 8.187 7.853 0.288 1.00 24.33 H new ATOM 0 HB2 SER A 50 9.211 10.098 -0.542 1.00 43.41 H new ATOM 0 HB3 SER A 50 7.832 10.896 0.189 1.00 43.41 H new ATOM 0 HG SER A 50 10.075 9.852 1.389 1.00 33.34 H new ATOM 811 N TYR A 51 6.517 8.160 2.121 1.00 11.22 N ATOM 812 CA TYR A 51 5.420 8.155 3.081 1.00 3.13 C ATOM 813 C TYR A 51 5.899 8.691 4.427 1.00 31.11 C ATOM 814 O TYR A 51 6.924 8.245 4.948 1.00 4.40 O ATOM 815 CB TYR A 51 4.911 6.720 3.300 1.00 53.15 C ATOM 816 CG TYR A 51 4.956 5.924 2.013 1.00 21.30 C ATOM 817 CD1 TYR A 51 6.182 5.634 1.398 1.00 4.44 C ATOM 818 CD2 TYR A 51 3.766 5.465 1.442 1.00 32.23 C ATOM 819 CE1 TYR A 51 6.212 4.891 0.214 1.00 60.25 C ATOM 820 CE2 TYR A 51 3.796 4.721 0.257 1.00 44.53 C ATOM 821 CZ TYR A 51 5.019 4.435 -0.357 1.00 34.44 C ATOM 822 OH TYR A 51 5.048 3.702 -1.526 1.00 60.41 O ATOM 0 H TYR A 51 7.337 7.628 2.412 1.00 11.22 H new ATOM 0 HA TYR A 51 4.622 8.782 2.684 1.00 3.13 H new ATOM 0 HB2 TYR A 51 5.519 6.227 4.058 1.00 53.15 H new ATOM 0 HB3 TYR A 51 3.889 6.747 3.679 1.00 53.15 H new ATOM 0 HD1 TYR A 51 7.103 5.985 1.839 1.00 4.44 H new ATOM 0 HD2 TYR A 51 2.821 5.685 1.916 1.00 32.23 H new ATOM 0 HE1 TYR A 51 7.157 4.669 -0.260 1.00 60.25 H new ATOM 0 HE2 TYR A 51 2.875 4.368 -0.183 1.00 44.53 H new ATOM 0 HH TYR A 51 4.134 3.463 -1.785 1.00 60.41 H new ATOM 832 N ALA A 52 5.153 9.632 4.993 1.00 25.33 N ATOM 833 CA ALA A 52 5.505 10.207 6.289 1.00 4.01 C ATOM 834 C ALA A 52 4.293 10.162 7.215 1.00 54.51 C ATOM 835 O ALA A 52 3.313 10.875 7.004 1.00 5.04 O ATOM 836 CB ALA A 52 5.981 11.651 6.106 1.00 34.04 C ATOM 0 H ALA A 52 4.303 10.013 4.578 1.00 25.33 H new ATOM 0 HA ALA A 52 6.313 9.627 6.735 1.00 4.01 H new ATOM 0 HB1 ALA A 52 6.242 12.074 7.076 1.00 34.04 H new ATOM 0 HB2 ALA A 52 6.856 11.666 5.456 1.00 34.04 H new ATOM 0 HB3 ALA A 52 5.184 12.242 5.655 1.00 34.04 H new ATOM 842 N VAL A 53 4.366 9.304 8.230 1.00 11.31 N ATOM 843 CA VAL A 53 3.264 9.150 9.181 1.00 4.25 C ATOM 844 C VAL A 53 3.677 9.625 10.579 1.00 33.04 C ATOM 845 O VAL A 53 4.716 9.201 11.095 1.00 1.44 O ATOM 846 CB VAL A 53 2.856 7.678 9.254 1.00 33.11 C ATOM 847 CG1 VAL A 53 1.519 7.554 9.987 1.00 24.22 C ATOM 848 CG2 VAL A 53 2.713 7.118 7.837 1.00 45.44 C ATOM 0 H VAL A 53 5.172 8.707 8.416 1.00 11.31 H new ATOM 0 HA VAL A 53 2.426 9.757 8.837 1.00 4.25 H new ATOM 0 HB VAL A 53 3.619 7.116 9.793 1.00 33.11 H new ATOM 0 HG11 VAL A 53 1.228 6.505 10.039 1.00 24.22 H new ATOM 0 HG12 VAL A 53 1.619 7.953 10.996 1.00 24.22 H new ATOM 0 HG13 VAL A 53 0.756 8.116 9.449 1.00 24.22 H new ATOM 0 HG21 VAL A 53 2.422 6.069 7.888 1.00 45.44 H new ATOM 0 HG22 VAL A 53 1.950 7.680 7.299 1.00 45.44 H new ATOM 0 HG23 VAL A 53 3.665 7.206 7.313 1.00 45.44 H new ATOM 858 N PRO A 54 2.895 10.476 11.213 1.00 52.35 N ATOM 859 CA PRO A 54 3.210 10.978 12.580 1.00 14.42 C ATOM 860 C PRO A 54 2.872 9.941 13.646 1.00 13.13 C ATOM 861 O PRO A 54 1.754 9.431 13.695 1.00 72.24 O ATOM 862 CB PRO A 54 2.322 12.217 12.716 1.00 61.14 C ATOM 863 CG PRO A 54 1.128 11.917 11.873 1.00 14.32 C ATOM 864 CD PRO A 54 1.632 11.057 10.709 1.00 4.20 C ATOM 0 HA PRO A 54 4.270 11.195 12.716 1.00 14.42 H new ATOM 0 HB2 PRO A 54 2.041 12.391 13.755 1.00 61.14 H new ATOM 0 HB3 PRO A 54 2.836 13.114 12.370 1.00 61.14 H new ATOM 0 HG2 PRO A 54 0.369 11.387 12.448 1.00 14.32 H new ATOM 0 HG3 PRO A 54 0.668 12.835 11.508 1.00 14.32 H new ATOM 0 HD2 PRO A 54 0.913 10.281 10.446 1.00 4.20 H new ATOM 0 HD3 PRO A 54 1.798 11.656 9.813 1.00 4.20 H new ATOM 872 N LYS A 55 3.845 9.632 14.494 1.00 73.41 N ATOM 873 CA LYS A 55 3.643 8.652 15.555 1.00 42.31 C ATOM 874 C LYS A 55 4.279 9.143 16.854 1.00 1.31 C ATOM 875 O LYS A 55 5.441 8.848 17.123 1.00 53.30 O ATOM 876 CB LYS A 55 4.279 7.319 15.151 1.00 74.14 C ATOM 877 CG LYS A 55 3.819 6.205 16.109 1.00 30.24 C ATOM 878 CD LYS A 55 2.496 5.593 15.617 1.00 12.50 C ATOM 879 CE LYS A 55 2.781 4.480 14.602 1.00 0.43 C ATOM 880 NZ LYS A 55 3.200 3.246 15.325 1.00 34.34 N ATOM 0 H LYS A 55 4.778 10.043 14.469 1.00 73.41 H new ATOM 0 HA LYS A 55 2.573 8.516 15.710 1.00 42.31 H new ATOM 0 HB2 LYS A 55 3.999 7.068 14.128 1.00 74.14 H new ATOM 0 HB3 LYS A 55 5.366 7.403 15.173 1.00 74.14 H new ATOM 0 HG2 LYS A 55 4.584 5.431 16.173 1.00 30.24 H new ATOM 0 HG3 LYS A 55 3.690 6.609 17.113 1.00 30.24 H new ATOM 0 HD2 LYS A 55 1.935 5.192 16.461 1.00 12.50 H new ATOM 0 HD3 LYS A 55 1.876 6.364 15.159 1.00 12.50 H new ATOM 0 HE2 LYS A 55 1.891 4.281 14.005 1.00 0.43 H new ATOM 0 HE3 LYS A 55 3.564 4.794 13.912 1.00 0.43 H new ATOM 0 HZ1 LYS A 55 3.020 2.415 14.726 1.00 34.34 H new ATOM 0 HZ2 LYS A 55 4.215 3.301 15.546 1.00 34.34 H new ATOM 0 HZ3 LYS A 55 2.658 3.160 16.208 1.00 34.34 H new ATOM 894 N PRO A 56 3.556 9.888 17.659 1.00 11.12 N ATOM 895 CA PRO A 56 4.087 10.419 18.946 1.00 63.43 C ATOM 896 C PRO A 56 4.952 9.398 19.686 1.00 21.45 C ATOM 897 O PRO A 56 5.726 9.755 20.574 1.00 21.00 O ATOM 898 CB PRO A 56 2.819 10.753 19.732 1.00 25.13 C ATOM 899 CG PRO A 56 1.808 11.121 18.693 1.00 55.31 C ATOM 900 CD PRO A 56 2.157 10.311 17.436 1.00 3.24 C ATOM 0 HA PRO A 56 4.746 11.275 18.803 1.00 63.43 H new ATOM 0 HB2 PRO A 56 2.485 9.901 20.324 1.00 25.13 H new ATOM 0 HB3 PRO A 56 2.990 11.576 20.426 1.00 25.13 H new ATOM 0 HG2 PRO A 56 0.799 10.890 19.035 1.00 55.31 H new ATOM 0 HG3 PRO A 56 1.837 12.191 18.485 1.00 55.31 H new ATOM 0 HD2 PRO A 56 1.495 9.453 17.317 1.00 3.24 H new ATOM 0 HD3 PRO A 56 2.062 10.914 16.533 1.00 3.24 H new ATOM 908 N ASN A 57 4.816 8.126 19.312 1.00 44.53 N ATOM 909 CA ASN A 57 5.591 7.059 19.944 1.00 64.23 C ATOM 910 C ASN A 57 6.825 6.718 19.111 1.00 23.11 C ATOM 911 O ASN A 57 7.420 5.653 19.277 1.00 64.11 O ATOM 912 CB ASN A 57 4.720 5.810 20.099 1.00 12.42 C ATOM 913 CG ASN A 57 3.491 6.131 20.943 1.00 43.43 C ATOM 914 OD1 ASN A 57 3.450 7.245 21.621 1.00 42.33 O flip ATOM 915 ND2 ASN A 57 2.544 5.345 20.986 1.00 73.42 N flip ATOM 0 H ASN A 57 4.180 7.811 18.579 1.00 44.53 H new ATOM 0 HA ASN A 57 5.917 7.406 20.925 1.00 64.23 H new ATOM 0 HB2 ASN A 57 4.413 5.447 19.118 1.00 12.42 H new ATOM 0 HB3 ASN A 57 5.295 5.012 20.568 1.00 12.42 H new ATOM 0 HD21 ASN A 57 2.579 4.475 20.455 1.00 73.42 H new ATOM 0 HD22 ASN A 57 1.725 5.564 21.553 1.00 73.42 H new ATOM 922 N GLY A 58 7.201 7.626 18.212 1.00 41.14 N ATOM 923 CA GLY A 58 8.367 7.416 17.349 1.00 40.05 C ATOM 924 C GLY A 58 7.976 7.530 15.880 1.00 72.43 C ATOM 925 O GLY A 58 7.493 6.569 15.280 1.00 33.42 O ATOM 0 H GLY A 58 6.719 8.512 18.061 1.00 41.14 H new ATOM 0 HA2 GLY A 58 9.137 8.151 17.584 1.00 40.05 H new ATOM 0 HA3 GLY A 58 8.796 6.433 17.541 1.00 40.05 H new ATOM 929 N CYS A 59 8.184 8.712 15.307 1.00 14.40 N ATOM 930 CA CYS A 59 7.841 8.946 13.907 1.00 33.35 C ATOM 931 C CYS A 59 8.385 7.830 13.020 1.00 41.44 C ATOM 932 O CYS A 59 9.397 7.206 13.341 1.00 42.15 O ATOM 933 CB CYS A 59 8.416 10.288 13.447 1.00 0.11 C ATOM 934 SG CYS A 59 8.193 11.522 14.751 1.00 4.12 S ATOM 0 H CYS A 59 8.586 9.518 15.786 1.00 14.40 H new ATOM 0 HA CYS A 59 6.755 8.963 13.821 1.00 33.35 H new ATOM 0 HB2 CYS A 59 9.475 10.180 13.212 1.00 0.11 H new ATOM 0 HB3 CYS A 59 7.918 10.615 12.534 1.00 0.11 H new ATOM 939 N ARG A 60 7.705 7.588 11.900 1.00 3.04 N ATOM 940 CA ARG A 60 8.123 6.545 10.962 1.00 32.43 C ATOM 941 C ARG A 60 8.151 7.092 9.539 1.00 24.23 C ATOM 942 O ARG A 60 7.126 7.526 9.013 1.00 14.42 O ATOM 943 CB ARG A 60 7.157 5.362 11.038 1.00 53.42 C ATOM 944 CG ARG A 60 6.962 4.957 12.501 1.00 71.33 C ATOM 945 CD ARG A 60 5.993 3.775 12.584 1.00 33.12 C ATOM 946 NE ARG A 60 6.667 2.543 12.190 1.00 11.54 N ATOM 947 CZ ARG A 60 6.215 1.356 12.579 1.00 44.42 C ATOM 948 NH1 ARG A 60 5.149 1.277 13.329 1.00 23.53 N ATOM 949 NH2 ARG A 60 6.836 0.268 12.213 1.00 75.41 N ATOM 0 H ARG A 60 6.866 8.097 11.620 1.00 3.04 H new ATOM 0 HA ARG A 60 9.125 6.213 11.233 1.00 32.43 H new ATOM 0 HB2 ARG A 60 6.199 5.632 10.593 1.00 53.42 H new ATOM 0 HB3 ARG A 60 7.549 4.521 10.466 1.00 53.42 H new ATOM 0 HG2 ARG A 60 7.920 4.686 12.944 1.00 71.33 H new ATOM 0 HG3 ARG A 60 6.573 5.799 13.073 1.00 71.33 H new ATOM 0 HD2 ARG A 60 5.610 3.680 13.600 1.00 33.12 H new ATOM 0 HD3 ARG A 60 5.135 3.952 11.935 1.00 33.12 H new ATOM 0 HE ARG A 60 7.501 2.594 11.605 1.00 11.54 H new ATOM 0 HH11 ARG A 60 4.663 2.127 13.616 1.00 23.53 H new ATOM 0 HH12 ARG A 60 4.802 0.366 13.628 1.00 23.53 H new ATOM 0 HH21 ARG A 60 7.669 0.329 11.628 1.00 75.41 H new ATOM 0 HH22 ARG A 60 6.488 -0.643 12.512 1.00 75.41 H new ATOM 963 N LYS A 61 9.330 7.070 8.918 1.00 34.13 N ATOM 964 CA LYS A 61 9.479 7.567 7.551 1.00 32.24 C ATOM 965 C LYS A 61 10.281 6.594 6.695 1.00 65.44 C ATOM 966 O LYS A 61 11.346 6.123 7.092 1.00 30.04 O ATOM 967 CB LYS A 61 10.163 8.936 7.563 1.00 40.21 C ATOM 968 CG LYS A 61 10.559 9.342 6.139 1.00 2.42 C ATOM 969 CD LYS A 61 10.921 10.828 6.113 1.00 20.13 C ATOM 970 CE LYS A 61 11.281 11.241 4.686 1.00 75.42 C ATOM 971 NZ LYS A 61 10.056 11.211 3.835 1.00 71.12 N ATOM 0 H LYS A 61 10.190 6.716 9.336 1.00 34.13 H new ATOM 0 HA LYS A 61 8.484 7.663 7.116 1.00 32.24 H new ATOM 0 HB2 LYS A 61 9.492 9.682 7.988 1.00 40.21 H new ATOM 0 HB3 LYS A 61 11.048 8.903 8.199 1.00 40.21 H new ATOM 0 HG2 LYS A 61 11.406 8.745 5.802 1.00 2.42 H new ATOM 0 HG3 LYS A 61 9.736 9.145 5.452 1.00 2.42 H new ATOM 0 HD2 LYS A 61 10.083 11.424 6.475 1.00 20.13 H new ATOM 0 HD3 LYS A 61 11.760 11.020 6.781 1.00 20.13 H new ATOM 0 HE2 LYS A 61 11.714 12.241 4.684 1.00 75.42 H new ATOM 0 HE3 LYS A 61 12.035 10.567 4.280 1.00 75.42 H new ATOM 0 HZ1 LYS A 61 10.136 10.443 3.138 1.00 71.12 H new ATOM 0 HZ2 LYS A 61 9.221 11.049 4.434 1.00 71.12 H new ATOM 0 HZ3 LYS A 61 9.956 12.120 3.339 1.00 71.12 H new ATOM 985 N TRP A 62 9.752 6.311 5.513 1.00 34.24 N ATOM 986 CA TRP A 62 10.405 5.399 4.574 1.00 72.44 C ATOM 987 C TRP A 62 10.109 5.831 3.142 1.00 74.11 C ATOM 988 O TRP A 62 9.254 6.686 2.911 1.00 73.51 O ATOM 989 CB TRP A 62 9.901 3.971 4.792 1.00 51.14 C ATOM 990 CG TRP A 62 8.424 3.941 4.583 1.00 44.14 C ATOM 991 CD1 TRP A 62 7.812 4.004 3.380 1.00 53.31 C ATOM 992 CD2 TRP A 62 7.366 3.849 5.579 1.00 72.31 C ATOM 993 NE1 TRP A 62 6.444 3.966 3.573 1.00 42.13 N ATOM 994 CE2 TRP A 62 6.120 3.869 4.912 1.00 11.51 C ATOM 995 CE3 TRP A 62 7.365 3.754 6.982 1.00 14.12 C ATOM 996 CZ2 TRP A 62 4.915 3.798 5.609 1.00 53.31 C ATOM 997 CZ3 TRP A 62 6.154 3.682 7.688 1.00 22.34 C ATOM 998 CH2 TRP A 62 4.931 3.705 7.002 1.00 70.10 C ATOM 0 H TRP A 62 8.870 6.699 5.177 1.00 34.24 H new ATOM 0 HA TRP A 62 11.481 5.429 4.746 1.00 72.44 H new ATOM 0 HB2 TRP A 62 10.393 3.288 4.100 1.00 51.14 H new ATOM 0 HB3 TRP A 62 10.146 3.635 5.800 1.00 51.14 H new ATOM 0 HD1 TRP A 62 8.310 4.073 2.424 1.00 53.31 H new ATOM 0 HE1 TRP A 62 5.758 4.005 2.819 1.00 42.13 H new ATOM 0 HE3 TRP A 62 8.302 3.736 7.519 1.00 14.12 H new ATOM 0 HZ2 TRP A 62 3.976 3.815 5.076 1.00 53.31 H new ATOM 0 HZ3 TRP A 62 6.164 3.608 8.765 1.00 22.34 H new ATOM 0 HH2 TRP A 62 4.002 3.651 7.551 1.00 70.10 H new ATOM 1009 N GLU A 63 10.821 5.244 2.180 1.00 22.51 N ATOM 1010 CA GLU A 63 10.623 5.590 0.771 1.00 4.21 C ATOM 1011 C GLU A 63 10.484 4.334 -0.084 1.00 22.40 C ATOM 1012 O GLU A 63 11.105 3.308 0.193 1.00 60.51 O ATOM 1013 CB GLU A 63 11.806 6.428 0.277 1.00 51.41 C ATOM 1014 CG GLU A 63 11.573 6.861 -1.178 1.00 54.12 C ATOM 1015 CD GLU A 63 12.132 5.814 -2.139 1.00 33.43 C ATOM 1016 OE1 GLU A 63 13.299 5.483 -2.009 1.00 41.51 O ATOM 1017 OE2 GLU A 63 11.384 5.359 -2.988 1.00 70.53 O ATOM 0 H GLU A 63 11.533 4.533 2.347 1.00 22.51 H new ATOM 0 HA GLU A 63 9.703 6.167 0.682 1.00 4.21 H new ATOM 0 HB2 GLU A 63 11.930 7.306 0.911 1.00 51.41 H new ATOM 0 HB3 GLU A 63 12.727 5.850 0.350 1.00 51.41 H new ATOM 0 HG2 GLU A 63 10.507 6.997 -1.358 1.00 54.12 H new ATOM 0 HG3 GLU A 63 12.052 7.823 -1.359 1.00 54.12 H new ATOM 1024 N THR A 64 9.654 4.422 -1.125 1.00 73.12 N ATOM 1025 CA THR A 64 9.423 3.286 -2.019 1.00 63.14 C ATOM 1026 C THR A 64 9.404 3.729 -3.478 1.00 22.13 C ATOM 1027 O THR A 64 8.908 4.807 -3.807 1.00 65.14 O ATOM 1028 CB THR A 64 8.086 2.624 -1.687 1.00 23.03 C ATOM 1029 OG1 THR A 64 7.972 2.468 -0.279 1.00 34.22 O ATOM 1030 CG2 THR A 64 8.013 1.255 -2.362 1.00 64.01 C ATOM 0 H THR A 64 9.133 5.264 -1.369 1.00 73.12 H new ATOM 0 HA THR A 64 10.239 2.578 -1.875 1.00 63.14 H new ATOM 0 HB THR A 64 7.270 3.249 -2.049 1.00 23.03 H new ATOM 0 HG1 THR A 64 7.214 2.996 0.048 1.00 34.22 H new ATOM 0 HG21 THR A 64 7.059 0.783 -2.125 1.00 64.01 H new ATOM 0 HG22 THR A 64 8.099 1.377 -3.442 1.00 64.01 H new ATOM 0 HG23 THR A 64 8.828 0.628 -2.001 1.00 64.01 H new ATOM 1038 N THR A 65 9.936 2.878 -4.351 1.00 10.35 N ATOM 1039 CA THR A 65 9.971 3.167 -5.783 1.00 11.51 C ATOM 1040 C THR A 65 8.874 2.388 -6.499 1.00 61.02 C ATOM 1041 O THR A 65 8.569 1.256 -6.127 1.00 21.33 O ATOM 1042 CB THR A 65 11.335 2.780 -6.359 1.00 51.14 C ATOM 1043 OG1 THR A 65 12.343 3.590 -5.770 1.00 55.12 O ATOM 1044 CG2 THR A 65 11.330 2.988 -7.875 1.00 53.23 C ATOM 0 H THR A 65 10.349 1.982 -4.092 1.00 10.35 H new ATOM 0 HA THR A 65 9.807 4.234 -5.931 1.00 11.51 H new ATOM 0 HB THR A 65 11.537 1.731 -6.140 1.00 51.14 H new ATOM 0 HG1 THR A 65 13.217 3.342 -6.137 1.00 55.12 H new ATOM 0 HG21 THR A 65 12.302 2.712 -8.283 1.00 53.23 H new ATOM 0 HG22 THR A 65 10.557 2.365 -8.325 1.00 53.23 H new ATOM 0 HG23 THR A 65 11.127 4.036 -8.098 1.00 53.23 H new ATOM 1052 N PHE A 66 8.284 2.994 -7.534 1.00 13.41 N ATOM 1053 CA PHE A 66 7.227 2.328 -8.291 1.00 51.23 C ATOM 1054 C PHE A 66 7.637 2.178 -9.753 1.00 44.34 C ATOM 1055 O PHE A 66 8.090 3.134 -10.378 1.00 55.41 O ATOM 1056 CB PHE A 66 5.919 3.143 -8.207 1.00 51.33 C ATOM 1057 CG PHE A 66 5.302 3.241 -9.587 1.00 73.14 C ATOM 1058 CD1 PHE A 66 4.966 2.074 -10.280 1.00 71.33 C ATOM 1059 CD2 PHE A 66 5.101 4.487 -10.186 1.00 12.13 C ATOM 1060 CE1 PHE A 66 4.435 2.154 -11.568 1.00 42.14 C ATOM 1061 CE2 PHE A 66 4.558 4.563 -11.477 1.00 62.23 C ATOM 1062 CZ PHE A 66 4.230 3.396 -12.166 1.00 42.31 C ATOM 0 H PHE A 66 8.518 3.931 -7.861 1.00 13.41 H new ATOM 0 HA PHE A 66 7.065 1.340 -7.861 1.00 51.23 H new ATOM 0 HB2 PHE A 66 5.223 2.665 -7.518 1.00 51.33 H new ATOM 0 HB3 PHE A 66 6.122 4.140 -7.815 1.00 51.33 H new ATOM 0 HD1 PHE A 66 5.118 1.110 -9.818 1.00 71.33 H new ATOM 0 HD2 PHE A 66 5.363 5.391 -9.656 1.00 12.13 H new ATOM 0 HE1 PHE A 66 4.182 1.251 -12.103 1.00 42.14 H new ATOM 0 HE2 PHE A 66 4.394 5.526 -11.938 1.00 62.23 H new ATOM 0 HZ PHE A 66 3.817 3.455 -13.162 1.00 42.31 H new ATOM 1072 N LYS A 67 7.457 0.973 -10.294 1.00 73.13 N ATOM 1073 CA LYS A 67 7.791 0.705 -11.689 1.00 13.11 C ATOM 1074 C LYS A 67 6.546 0.260 -12.462 1.00 21.45 C ATOM 1075 O LYS A 67 5.629 -0.355 -11.895 1.00 52.30 O ATOM 1076 CB LYS A 67 8.856 -0.389 -11.775 1.00 64.24 C ATOM 1077 CG LYS A 67 10.136 0.072 -11.066 1.00 53.34 C ATOM 1078 CD LYS A 67 11.334 -0.700 -11.622 1.00 2.41 C ATOM 1079 CE LYS A 67 12.535 -0.523 -10.691 1.00 62.33 C ATOM 1080 NZ LYS A 67 12.278 -1.234 -9.407 1.00 12.12 N ATOM 0 H LYS A 67 7.083 0.171 -9.788 1.00 73.13 H new ATOM 0 HA LYS A 67 8.177 1.624 -12.130 1.00 13.11 H new ATOM 0 HB2 LYS A 67 8.486 -1.306 -11.316 1.00 64.24 H new ATOM 0 HB3 LYS A 67 9.070 -0.619 -12.819 1.00 64.24 H new ATOM 0 HG2 LYS A 67 10.280 1.142 -11.212 1.00 53.34 H new ATOM 0 HG3 LYS A 67 10.050 -0.094 -9.992 1.00 53.34 H new ATOM 0 HD2 LYS A 67 11.086 -1.757 -11.716 1.00 2.41 H new ATOM 0 HD3 LYS A 67 11.579 -0.340 -12.621 1.00 2.41 H new ATOM 0 HE2 LYS A 67 13.435 -0.916 -11.163 1.00 62.33 H new ATOM 0 HE3 LYS A 67 12.710 0.536 -10.504 1.00 62.33 H new ATOM 0 HZ1 LYS A 67 13.184 -1.499 -8.970 1.00 12.12 H new ATOM 0 HZ2 LYS A 67 11.752 -0.609 -8.763 1.00 12.12 H new ATOM 0 HZ3 LYS A 67 11.719 -2.091 -9.591 1.00 12.12 H new ATOM 1094 N LYS A 68 6.518 0.610 -13.750 1.00 3.43 N ATOM 1095 CA LYS A 68 5.392 0.280 -14.624 1.00 21.33 C ATOM 1096 C LYS A 68 5.388 -1.198 -15.003 1.00 72.40 C ATOM 1097 O LYS A 68 6.342 -1.702 -15.595 1.00 23.10 O ATOM 1098 CB LYS A 68 5.468 1.126 -15.898 1.00 53.12 C ATOM 1099 CG LYS A 68 4.181 0.954 -16.706 1.00 53.35 C ATOM 1100 CD LYS A 68 4.280 1.763 -18.001 1.00 31.23 C ATOM 1101 CE LYS A 68 2.994 1.590 -18.811 1.00 15.54 C ATOM 1102 NZ LYS A 68 1.875 2.297 -18.126 1.00 52.14 N ATOM 0 H LYS A 68 7.267 1.125 -14.212 1.00 3.43 H new ATOM 0 HA LYS A 68 4.472 0.495 -14.080 1.00 21.33 H new ATOM 0 HB2 LYS A 68 5.611 2.176 -15.641 1.00 53.12 H new ATOM 0 HB3 LYS A 68 6.328 0.824 -16.496 1.00 53.12 H new ATOM 0 HG2 LYS A 68 4.020 -0.100 -16.934 1.00 53.35 H new ATOM 0 HG3 LYS A 68 3.324 1.288 -16.121 1.00 53.35 H new ATOM 0 HD2 LYS A 68 4.439 2.817 -17.773 1.00 31.23 H new ATOM 0 HD3 LYS A 68 5.138 1.430 -18.585 1.00 31.23 H new ATOM 0 HE2 LYS A 68 3.129 1.989 -19.816 1.00 15.54 H new ATOM 0 HE3 LYS A 68 2.758 0.531 -18.917 1.00 15.54 H new ATOM 0 HZ1 LYS A 68 1.082 2.415 -18.788 1.00 52.14 H new ATOM 0 HZ2 LYS A 68 1.562 1.739 -17.306 1.00 52.14 H new ATOM 0 HZ3 LYS A 68 2.200 3.231 -17.805 1.00 52.14 H new ATOM 1116 N THR A 69 4.298 -1.883 -14.660 1.00 15.53 N ATOM 1117 CA THR A 69 4.154 -3.306 -14.968 1.00 52.53 C ATOM 1118 C THR A 69 2.818 -3.560 -15.664 1.00 3.13 C ATOM 1119 O THR A 69 1.982 -2.663 -15.769 1.00 60.33 O ATOM 1120 CB THR A 69 4.221 -4.127 -13.678 1.00 54.42 C ATOM 1121 OG1 THR A 69 4.159 -5.511 -13.997 1.00 51.20 O ATOM 1122 CG2 THR A 69 3.045 -3.755 -12.773 1.00 40.11 C ATOM 0 H THR A 69 3.502 -1.476 -14.169 1.00 15.53 H new ATOM 0 HA THR A 69 4.966 -3.605 -15.631 1.00 52.53 H new ATOM 0 HB THR A 69 5.156 -3.915 -13.159 1.00 54.42 H new ATOM 0 HG1 THR A 69 4.203 -6.039 -13.173 1.00 51.20 H new ATOM 0 HG21 THR A 69 3.093 -4.340 -11.855 1.00 40.11 H new ATOM 0 HG22 THR A 69 3.094 -2.694 -12.530 1.00 40.11 H new ATOM 0 HG23 THR A 69 2.108 -3.966 -13.289 1.00 40.11 H new ATOM 1130 N SER A 70 2.624 -4.787 -16.139 1.00 51.44 N ATOM 1131 CA SER A 70 1.384 -5.143 -16.824 1.00 20.11 C ATOM 1132 C SER A 70 0.257 -5.358 -15.816 1.00 64.35 C ATOM 1133 O SER A 70 -0.368 -6.417 -15.787 1.00 41.34 O ATOM 1134 CB SER A 70 1.588 -6.417 -17.643 1.00 55.14 C ATOM 1135 OG SER A 70 0.504 -6.570 -18.550 1.00 40.14 O ATOM 0 H SER A 70 3.302 -5.545 -16.064 1.00 51.44 H new ATOM 0 HA SER A 70 1.110 -4.324 -17.489 1.00 20.11 H new ATOM 0 HB2 SER A 70 2.530 -6.365 -18.189 1.00 55.14 H new ATOM 0 HB3 SER A 70 1.650 -7.282 -16.983 1.00 55.14 H new ATOM 0 HG SER A 70 -0.321 -6.739 -18.048 1.00 40.14 H new ATOM 1141 N ASP A 71 0.012 -4.349 -14.987 1.00 62.33 N ATOM 1142 CA ASP A 71 -1.034 -4.438 -13.975 1.00 24.34 C ATOM 1143 C ASP A 71 -2.417 -4.531 -14.616 1.00 41.40 C ATOM 1144 O ASP A 71 -2.899 -5.625 -14.912 1.00 21.04 O ATOM 1145 CB ASP A 71 -0.978 -3.215 -13.061 1.00 22.22 C ATOM 1146 CG ASP A 71 -2.101 -3.281 -12.032 1.00 14.42 C ATOM 1147 OD1 ASP A 71 -1.900 -3.909 -11.004 1.00 53.51 O ATOM 1148 OD2 ASP A 71 -3.146 -2.705 -12.286 1.00 10.44 O ATOM 0 H ASP A 71 0.520 -3.465 -14.995 1.00 62.33 H new ATOM 0 HA ASP A 71 -0.863 -5.343 -13.392 1.00 24.34 H new ATOM 0 HB2 ASP A 71 -0.013 -3.172 -12.556 1.00 22.22 H new ATOM 0 HB3 ASP A 71 -1.069 -2.304 -13.653 1.00 22.22 H new ATOM 1153 N ASP A 72 -3.055 -3.380 -14.829 1.00 44.31 N ATOM 1154 CA ASP A 72 -4.384 -3.358 -15.434 1.00 34.55 C ATOM 1155 C ASP A 72 -4.760 -1.950 -15.872 1.00 53.33 C ATOM 1156 O ASP A 72 -5.283 -1.160 -15.087 1.00 52.31 O ATOM 1157 CB ASP A 72 -5.422 -3.881 -14.440 1.00 22.10 C ATOM 1158 CG ASP A 72 -6.815 -3.808 -15.055 1.00 22.13 C ATOM 1159 OD1 ASP A 72 -6.907 -3.507 -16.232 1.00 61.14 O ATOM 1160 OD2 ASP A 72 -7.771 -4.055 -14.336 1.00 34.23 O ATOM 0 H ASP A 72 -2.678 -2.462 -14.594 1.00 44.31 H new ATOM 0 HA ASP A 72 -4.366 -4.002 -16.313 1.00 34.55 H new ATOM 0 HB2 ASP A 72 -5.190 -4.910 -14.167 1.00 22.10 H new ATOM 0 HB3 ASP A 72 -5.389 -3.292 -13.523 1.00 22.10 H new ATOM 1165 N GLY A 73 -4.495 -1.650 -17.135 1.00 23.25 N ATOM 1166 CA GLY A 73 -4.808 -0.337 -17.680 1.00 53.43 C ATOM 1167 C GLY A 73 -3.766 0.684 -17.251 1.00 12.24 C ATOM 1168 O GLY A 73 -2.640 0.682 -17.746 1.00 4.21 O ATOM 0 H GLY A 73 -4.066 -2.294 -17.799 1.00 23.25 H new ATOM 0 HA2 GLY A 73 -4.847 -0.389 -18.768 1.00 53.43 H new ATOM 0 HA3 GLY A 73 -5.795 -0.022 -17.340 1.00 53.43 H new ATOM 1172 N GLU A 74 -4.147 1.551 -16.316 1.00 71.24 N ATOM 1173 CA GLU A 74 -3.232 2.576 -15.807 1.00 22.12 C ATOM 1174 C GLU A 74 -3.057 2.439 -14.297 1.00 50.12 C ATOM 1175 O GLU A 74 -3.765 3.085 -13.527 1.00 62.23 O ATOM 1176 CB GLU A 74 -3.789 3.972 -16.126 1.00 23.30 C ATOM 1177 CG GLU A 74 -3.382 4.389 -17.541 1.00 13.31 C ATOM 1178 CD GLU A 74 -3.950 3.405 -18.560 1.00 60.21 C ATOM 1179 OE1 GLU A 74 -4.961 2.792 -18.261 1.00 43.32 O ATOM 1180 OE2 GLU A 74 -3.364 3.281 -19.623 1.00 30.21 O ATOM 0 H GLU A 74 -5.076 1.567 -15.896 1.00 71.24 H new ATOM 0 HA GLU A 74 -2.263 2.444 -16.289 1.00 22.12 H new ATOM 0 HB2 GLU A 74 -4.875 3.968 -16.038 1.00 23.30 H new ATOM 0 HB3 GLU A 74 -3.414 4.696 -15.403 1.00 23.30 H new ATOM 0 HG2 GLU A 74 -3.747 5.394 -17.752 1.00 13.31 H new ATOM 0 HG3 GLU A 74 -2.295 4.421 -17.621 1.00 13.31 H new ATOM 1187 N VAL A 75 -2.101 1.617 -13.876 1.00 2.15 N ATOM 1188 CA VAL A 75 -1.830 1.427 -12.451 1.00 53.31 C ATOM 1189 C VAL A 75 -0.337 1.388 -12.192 1.00 50.30 C ATOM 1190 O VAL A 75 0.452 1.051 -13.076 1.00 43.11 O ATOM 1191 CB VAL A 75 -2.470 0.154 -11.892 1.00 0.40 C ATOM 1192 CG1 VAL A 75 -2.432 0.202 -10.342 1.00 10.03 C ATOM 1193 CG2 VAL A 75 -3.917 0.040 -12.390 1.00 74.02 C ATOM 0 H VAL A 75 -1.502 1.073 -14.497 1.00 2.15 H new ATOM 0 HA VAL A 75 -2.277 2.279 -11.938 1.00 53.31 H new ATOM 0 HB VAL A 75 -1.916 -0.720 -12.235 1.00 0.40 H new ATOM 0 HG11 VAL A 75 -2.887 -0.703 -9.939 1.00 10.03 H new ATOM 0 HG12 VAL A 75 -1.397 0.269 -10.005 1.00 10.03 H new ATOM 0 HG13 VAL A 75 -2.985 1.073 -9.991 1.00 10.03 H new ATOM 0 HG21 VAL A 75 -4.369 -0.868 -11.990 1.00 74.02 H new ATOM 0 HG22 VAL A 75 -4.486 0.907 -12.055 1.00 74.02 H new ATOM 0 HG23 VAL A 75 -3.925 -0.001 -13.479 1.00 74.02 H new ATOM 1203 N TYR A 76 0.046 1.762 -10.982 1.00 41.24 N ATOM 1204 CA TYR A 76 1.455 1.801 -10.610 1.00 31.34 C ATOM 1205 C TYR A 76 1.773 0.659 -9.638 1.00 33.21 C ATOM 1206 O TYR A 76 0.936 0.297 -8.818 1.00 53.44 O ATOM 1207 CB TYR A 76 1.735 3.167 -9.975 1.00 0.45 C ATOM 1208 CG TYR A 76 0.998 4.242 -10.758 1.00 33.40 C ATOM 1209 CD1 TYR A 76 1.023 4.242 -12.162 1.00 32.40 C ATOM 1210 CD2 TYR A 76 0.281 5.237 -10.079 1.00 75.13 C ATOM 1211 CE1 TYR A 76 0.337 5.230 -12.877 1.00 63.24 C ATOM 1212 CE2 TYR A 76 -0.406 6.223 -10.798 1.00 11.13 C ATOM 1213 CZ TYR A 76 -0.378 6.220 -12.195 1.00 53.01 C ATOM 1214 OH TYR A 76 -1.055 7.193 -12.902 1.00 25.04 O ATOM 0 H TYR A 76 -0.596 2.043 -10.241 1.00 41.24 H new ATOM 0 HA TYR A 76 2.091 1.669 -11.485 1.00 31.34 H new ATOM 0 HB2 TYR A 76 1.411 3.171 -8.934 1.00 0.45 H new ATOM 0 HB3 TYR A 76 2.806 3.369 -9.976 1.00 0.45 H new ATOM 0 HD1 TYR A 76 1.573 3.478 -12.691 1.00 32.40 H new ATOM 0 HD2 TYR A 76 0.258 5.243 -8.999 1.00 75.13 H new ATOM 0 HE1 TYR A 76 0.360 5.228 -13.957 1.00 63.24 H new ATOM 0 HE2 TYR A 76 -0.959 6.987 -10.272 1.00 11.13 H new ATOM 0 HH TYR A 76 -1.346 6.828 -13.764 1.00 25.04 H new ATOM 1224 N TYR A 77 2.975 0.058 -9.770 1.00 62.44 N ATOM 1225 CA TYR A 77 3.330 -1.087 -8.913 1.00 14.20 C ATOM 1226 C TYR A 77 4.805 -1.102 -8.499 1.00 35.53 C ATOM 1227 O TYR A 77 5.701 -1.085 -9.343 1.00 65.53 O ATOM 1228 CB TYR A 77 3.005 -2.387 -9.681 1.00 11.22 C ATOM 1229 CG TYR A 77 2.364 -3.420 -8.774 1.00 13.50 C ATOM 1230 CD1 TYR A 77 2.840 -3.620 -7.472 1.00 40.43 C ATOM 1231 CD2 TYR A 77 1.289 -4.185 -9.246 1.00 1.34 C ATOM 1232 CE1 TYR A 77 2.243 -4.578 -6.646 1.00 22.15 C ATOM 1233 CE2 TYR A 77 0.692 -5.145 -8.419 1.00 62.04 C ATOM 1234 CZ TYR A 77 1.169 -5.341 -7.119 1.00 21.52 C ATOM 1235 OH TYR A 77 0.581 -6.286 -6.303 1.00 71.13 O ATOM 0 H TYR A 77 3.693 0.336 -10.439 1.00 62.44 H new ATOM 0 HA TYR A 77 2.749 -1.002 -7.995 1.00 14.20 H new ATOM 0 HB2 TYR A 77 2.335 -2.163 -10.511 1.00 11.22 H new ATOM 0 HB3 TYR A 77 3.919 -2.796 -10.111 1.00 11.22 H new ATOM 0 HD1 TYR A 77 3.669 -3.034 -7.105 1.00 40.43 H new ATOM 0 HD2 TYR A 77 0.920 -4.034 -10.250 1.00 1.34 H new ATOM 0 HE1 TYR A 77 2.611 -4.729 -5.642 1.00 22.15 H new ATOM 0 HE2 TYR A 77 -0.136 -5.734 -8.785 1.00 62.04 H new ATOM 0 HH TYR A 77 0.368 -7.085 -6.829 1.00 71.13 H new ATOM 1245 N SER A 78 5.038 -1.190 -7.186 1.00 52.42 N ATOM 1246 CA SER A 78 6.395 -1.269 -6.649 1.00 33.40 C ATOM 1247 C SER A 78 6.712 -2.725 -6.303 1.00 2.11 C ATOM 1248 O SER A 78 6.248 -3.252 -5.292 1.00 13.25 O ATOM 1249 CB SER A 78 6.517 -0.402 -5.395 1.00 32.11 C ATOM 1250 OG SER A 78 5.558 -0.829 -4.435 1.00 13.05 O ATOM 0 H SER A 78 4.304 -1.208 -6.478 1.00 52.42 H new ATOM 0 HA SER A 78 7.101 -0.905 -7.396 1.00 33.40 H new ATOM 0 HB2 SER A 78 7.522 -0.480 -4.981 1.00 32.11 H new ATOM 0 HB3 SER A 78 6.356 0.646 -5.646 1.00 32.11 H new ATOM 0 HG SER A 78 5.515 -1.808 -4.429 1.00 13.05 H new ATOM 1256 N GLU A 79 7.478 -3.367 -7.173 1.00 53.42 N ATOM 1257 CA GLU A 79 7.835 -4.774 -6.992 1.00 22.02 C ATOM 1258 C GLU A 79 8.456 -5.043 -5.619 1.00 4.50 C ATOM 1259 O GLU A 79 8.191 -6.076 -5.005 1.00 64.42 O ATOM 1260 CB GLU A 79 8.820 -5.197 -8.084 1.00 64.13 C ATOM 1261 CG GLU A 79 8.947 -6.722 -8.100 1.00 32.42 C ATOM 1262 CD GLU A 79 7.661 -7.348 -8.632 1.00 73.51 C ATOM 1263 OE1 GLU A 79 6.952 -6.669 -9.356 1.00 40.23 O ATOM 1264 OE2 GLU A 79 7.406 -8.495 -8.306 1.00 13.33 O ATOM 0 H GLU A 79 7.867 -2.939 -8.013 1.00 53.42 H new ATOM 0 HA GLU A 79 6.916 -5.356 -7.060 1.00 22.02 H new ATOM 0 HB2 GLU A 79 8.477 -4.841 -9.055 1.00 64.13 H new ATOM 0 HB3 GLU A 79 9.794 -4.743 -7.904 1.00 64.13 H new ATOM 0 HG2 GLU A 79 9.790 -7.018 -8.724 1.00 32.42 H new ATOM 0 HG3 GLU A 79 9.150 -7.089 -7.094 1.00 32.42 H new ATOM 1271 N GLU A 80 9.304 -4.133 -5.160 1.00 14.34 N ATOM 1272 CA GLU A 80 9.983 -4.308 -3.877 1.00 1.03 C ATOM 1273 C GLU A 80 9.019 -4.279 -2.687 1.00 32.02 C ATOM 1274 O GLU A 80 9.212 -5.007 -1.712 1.00 62.24 O ATOM 1275 CB GLU A 80 11.032 -3.208 -3.696 1.00 21.40 C ATOM 1276 CG GLU A 80 12.106 -3.345 -4.776 1.00 55.13 C ATOM 1277 CD GLU A 80 13.185 -2.286 -4.575 1.00 55.42 C ATOM 1278 OE1 GLU A 80 12.979 -1.408 -3.752 1.00 13.24 O ATOM 1279 OE2 GLU A 80 14.201 -2.367 -5.246 1.00 52.05 O ATOM 0 H GLU A 80 9.539 -3.270 -5.651 1.00 14.34 H new ATOM 0 HA GLU A 80 10.452 -5.292 -3.897 1.00 1.03 H new ATOM 0 HB2 GLU A 80 10.561 -2.227 -3.759 1.00 21.40 H new ATOM 0 HB3 GLU A 80 11.484 -3.281 -2.707 1.00 21.40 H new ATOM 0 HG2 GLU A 80 12.549 -4.340 -4.736 1.00 55.13 H new ATOM 0 HG3 GLU A 80 11.657 -3.236 -5.763 1.00 55.13 H new ATOM 1286 N ALA A 81 8.005 -3.419 -2.749 1.00 20.24 N ATOM 1287 CA ALA A 81 7.050 -3.289 -1.642 1.00 42.22 C ATOM 1288 C ALA A 81 5.712 -3.962 -1.942 1.00 23.30 C ATOM 1289 O ALA A 81 4.748 -3.770 -1.201 1.00 15.54 O ATOM 1290 CB ALA A 81 6.806 -1.809 -1.348 1.00 33.54 C ATOM 0 H ALA A 81 7.821 -2.806 -3.543 1.00 20.24 H new ATOM 0 HA ALA A 81 7.488 -3.789 -0.778 1.00 42.22 H new ATOM 0 HB1 ALA A 81 6.097 -1.713 -0.526 1.00 33.54 H new ATOM 0 HB2 ALA A 81 7.747 -1.333 -1.073 1.00 33.54 H new ATOM 0 HB3 ALA A 81 6.400 -1.324 -2.236 1.00 33.54 H new ATOM 1296 N LYS A 82 5.652 -4.749 -3.016 1.00 42.01 N ATOM 1297 CA LYS A 82 4.408 -5.437 -3.382 1.00 74.32 C ATOM 1298 C LYS A 82 3.201 -4.567 -3.033 1.00 54.44 C ATOM 1299 O LYS A 82 2.330 -4.961 -2.250 1.00 13.43 O ATOM 1300 CB LYS A 82 4.310 -6.776 -2.647 1.00 34.34 C ATOM 1301 CG LYS A 82 5.334 -7.755 -3.232 1.00 0.32 C ATOM 1302 CD LYS A 82 5.302 -9.080 -2.452 1.00 35.42 C ATOM 1303 CE LYS A 82 4.228 -10.006 -3.033 1.00 21.43 C ATOM 1304 NZ LYS A 82 4.725 -10.607 -4.303 1.00 62.44 N ATOM 0 H LYS A 82 6.437 -4.927 -3.642 1.00 42.01 H new ATOM 0 HA LYS A 82 4.415 -5.620 -4.457 1.00 74.32 H new ATOM 0 HB2 LYS A 82 4.494 -6.633 -1.582 1.00 34.34 H new ATOM 0 HB3 LYS A 82 3.304 -7.184 -2.744 1.00 34.34 H new ATOM 0 HG2 LYS A 82 5.115 -7.938 -4.284 1.00 0.32 H new ATOM 0 HG3 LYS A 82 6.332 -7.320 -3.185 1.00 0.32 H new ATOM 0 HD2 LYS A 82 6.277 -9.564 -2.502 1.00 35.42 H new ATOM 0 HD3 LYS A 82 5.096 -8.887 -1.399 1.00 35.42 H new ATOM 0 HE2 LYS A 82 3.984 -10.791 -2.318 1.00 21.43 H new ATOM 0 HE3 LYS A 82 3.311 -9.446 -3.217 1.00 21.43 H new ATOM 0 HZ1 LYS A 82 4.154 -11.444 -4.538 1.00 62.44 H new ATOM 0 HZ2 LYS A 82 4.648 -9.909 -5.071 1.00 62.44 H new ATOM 0 HZ3 LYS A 82 5.720 -10.887 -4.188 1.00 62.44 H new ATOM 1318 N LYS A 83 3.168 -3.387 -3.635 1.00 32.32 N ATOM 1319 CA LYS A 83 2.082 -2.438 -3.403 1.00 20.41 C ATOM 1320 C LYS A 83 1.887 -1.537 -4.613 1.00 12.15 C ATOM 1321 O LYS A 83 2.852 -1.048 -5.201 1.00 62.32 O ATOM 1322 CB LYS A 83 2.387 -1.580 -2.174 1.00 53.34 C ATOM 1323 CG LYS A 83 1.266 -0.556 -1.981 1.00 51.31 C ATOM 1324 CD LYS A 83 1.398 0.100 -0.603 1.00 35.34 C ATOM 1325 CE LYS A 83 2.761 0.788 -0.485 1.00 72.41 C ATOM 1326 NZ LYS A 83 3.797 -0.219 -0.122 1.00 63.53 N ATOM 0 H LYS A 83 3.880 -3.061 -4.289 1.00 32.32 H new ATOM 0 HA LYS A 83 1.166 -3.004 -3.233 1.00 20.41 H new ATOM 0 HB2 LYS A 83 2.476 -2.210 -1.289 1.00 53.34 H new ATOM 0 HB3 LYS A 83 3.343 -1.071 -2.300 1.00 53.34 H new ATOM 0 HG2 LYS A 83 1.315 0.203 -2.762 1.00 51.31 H new ATOM 0 HG3 LYS A 83 0.295 -1.044 -2.071 1.00 51.31 H new ATOM 0 HD2 LYS A 83 0.599 0.828 -0.458 1.00 35.34 H new ATOM 0 HD3 LYS A 83 1.290 -0.651 0.179 1.00 35.34 H new ATOM 0 HE2 LYS A 83 3.021 1.268 -1.428 1.00 72.41 H new ATOM 0 HE3 LYS A 83 2.720 1.572 0.271 1.00 72.41 H new ATOM 0 HZ1 LYS A 83 3.931 -0.223 0.909 1.00 63.53 H new ATOM 0 HZ2 LYS A 83 3.490 -1.162 -0.435 1.00 63.53 H new ATOM 0 HZ3 LYS A 83 4.695 0.024 -0.586 1.00 63.53 H new ATOM 1340 N LYS A 84 0.629 -1.340 -4.989 1.00 63.04 N ATOM 1341 CA LYS A 84 0.300 -0.514 -6.147 1.00 54.11 C ATOM 1342 C LYS A 84 -0.753 0.520 -5.805 1.00 33.54 C ATOM 1343 O LYS A 84 -1.662 0.262 -5.017 1.00 25.45 O ATOM 1344 CB LYS A 84 -0.223 -1.414 -7.275 1.00 73.22 C ATOM 1345 CG LYS A 84 -0.998 -2.593 -6.682 1.00 33.44 C ATOM 1346 CD LYS A 84 -1.811 -3.276 -7.789 1.00 43.33 C ATOM 1347 CE LYS A 84 -2.262 -4.666 -7.327 1.00 24.33 C ATOM 1348 NZ LYS A 84 -2.786 -5.429 -8.495 1.00 2.52 N ATOM 0 H LYS A 84 -0.179 -1.739 -4.511 1.00 63.04 H new ATOM 0 HA LYS A 84 1.203 0.009 -6.463 1.00 54.11 H new ATOM 0 HB2 LYS A 84 -0.869 -0.841 -7.940 1.00 73.22 H new ATOM 0 HB3 LYS A 84 0.609 -1.780 -7.876 1.00 73.22 H new ATOM 0 HG2 LYS A 84 -0.308 -3.306 -6.230 1.00 33.44 H new ATOM 0 HG3 LYS A 84 -1.661 -2.245 -5.890 1.00 33.44 H new ATOM 0 HD2 LYS A 84 -2.680 -2.668 -8.041 1.00 43.33 H new ATOM 0 HD3 LYS A 84 -1.209 -3.362 -8.693 1.00 43.33 H new ATOM 0 HE2 LYS A 84 -1.426 -5.200 -6.875 1.00 24.33 H new ATOM 0 HE3 LYS A 84 -3.033 -4.575 -6.562 1.00 24.33 H new ATOM 0 HZ1 LYS A 84 -3.822 -5.496 -8.429 1.00 2.52 H new ATOM 0 HZ2 LYS A 84 -2.526 -4.939 -9.375 1.00 2.52 H new ATOM 0 HZ3 LYS A 84 -2.377 -6.385 -8.497 1.00 2.52 H new ATOM 1362 N VAL A 85 -0.643 1.687 -6.443 1.00 35.51 N ATOM 1363 CA VAL A 85 -1.617 2.744 -6.235 1.00 1.33 C ATOM 1364 C VAL A 85 -2.139 3.239 -7.576 1.00 13.53 C ATOM 1365 O VAL A 85 -1.373 3.500 -8.503 1.00 51.21 O ATOM 1366 CB VAL A 85 -1.028 3.880 -5.371 1.00 60.34 C ATOM 1367 CG1 VAL A 85 -0.200 3.260 -4.242 1.00 14.11 C ATOM 1368 CG2 VAL A 85 -0.136 4.879 -6.163 1.00 43.32 C ATOM 0 H VAL A 85 0.104 1.916 -7.099 1.00 35.51 H new ATOM 0 HA VAL A 85 -2.465 2.345 -5.679 1.00 1.33 H new ATOM 0 HB VAL A 85 -1.872 4.454 -4.989 1.00 60.34 H new ATOM 0 HG11 VAL A 85 0.222 4.052 -3.623 1.00 14.11 H new ATOM 0 HG12 VAL A 85 -0.839 2.623 -3.630 1.00 14.11 H new ATOM 0 HG13 VAL A 85 0.607 2.663 -4.668 1.00 14.11 H new ATOM 0 HG21 VAL A 85 0.240 5.647 -5.486 1.00 43.32 H new ATOM 0 HG22 VAL A 85 0.704 4.344 -6.607 1.00 43.32 H new ATOM 0 HG23 VAL A 85 -0.726 5.347 -6.951 1.00 43.32 H new ATOM 1378 N GLU A 86 -3.469 3.307 -7.676 1.00 22.14 N ATOM 1379 CA GLU A 86 -4.129 3.704 -8.920 1.00 64.25 C ATOM 1380 C GLU A 86 -4.937 4.970 -8.728 1.00 70.44 C ATOM 1381 O GLU A 86 -5.695 5.110 -7.772 1.00 75.21 O ATOM 1382 CB GLU A 86 -5.067 2.590 -9.387 1.00 54.40 C ATOM 1383 CG GLU A 86 -5.616 2.934 -10.772 1.00 1.34 C ATOM 1384 CD GLU A 86 -6.535 1.819 -11.261 1.00 40.41 C ATOM 1385 OE1 GLU A 86 -6.726 0.868 -10.520 1.00 61.22 O ATOM 1386 OE2 GLU A 86 -7.035 1.932 -12.368 1.00 62.22 O ATOM 0 H GLU A 86 -4.108 3.092 -6.911 1.00 22.14 H new ATOM 0 HA GLU A 86 -3.356 3.886 -9.666 1.00 64.25 H new ATOM 0 HB2 GLU A 86 -4.533 1.641 -9.421 1.00 54.40 H new ATOM 0 HB3 GLU A 86 -5.887 2.469 -8.679 1.00 54.40 H new ATOM 0 HG2 GLU A 86 -6.163 3.876 -10.732 1.00 1.34 H new ATOM 0 HG3 GLU A 86 -4.794 3.073 -11.474 1.00 1.34 H new ATOM 1393 N VAL A 87 -4.712 5.905 -9.632 1.00 2.52 N ATOM 1394 CA VAL A 87 -5.357 7.204 -9.573 1.00 1.41 C ATOM 1395 C VAL A 87 -6.686 7.264 -10.338 1.00 50.33 C ATOM 1396 O VAL A 87 -6.702 7.435 -11.556 1.00 15.04 O ATOM 1397 CB VAL A 87 -4.379 8.226 -10.149 1.00 33.21 C ATOM 1398 CG1 VAL A 87 -4.152 7.969 -11.654 1.00 33.42 C ATOM 1399 CG2 VAL A 87 -4.941 9.620 -9.937 1.00 43.40 C ATOM 0 H VAL A 87 -4.080 5.787 -10.424 1.00 2.52 H new ATOM 0 HA VAL A 87 -5.605 7.416 -8.533 1.00 1.41 H new ATOM 0 HB VAL A 87 -3.420 8.134 -9.640 1.00 33.21 H new ATOM 0 HG11 VAL A 87 -3.453 8.707 -12.048 1.00 33.42 H new ATOM 0 HG12 VAL A 87 -3.742 6.969 -11.795 1.00 33.42 H new ATOM 0 HG13 VAL A 87 -5.101 8.050 -12.184 1.00 33.42 H new ATOM 0 HG21 VAL A 87 -4.249 10.357 -10.345 1.00 43.40 H new ATOM 0 HG22 VAL A 87 -5.903 9.705 -10.443 1.00 43.40 H new ATOM 0 HG23 VAL A 87 -5.075 9.800 -8.870 1.00 43.40 H new ATOM 1409 N LEU A 88 -7.805 7.142 -9.612 1.00 71.42 N ATOM 1410 CA LEU A 88 -9.114 7.212 -10.267 1.00 15.35 C ATOM 1411 C LEU A 88 -9.453 8.671 -10.531 1.00 2.33 C ATOM 1412 O LEU A 88 -9.703 9.062 -11.672 1.00 34.13 O ATOM 1413 CB LEU A 88 -10.236 6.594 -9.404 1.00 74.33 C ATOM 1414 CG LEU A 88 -9.739 5.366 -8.625 1.00 43.14 C ATOM 1415 CD1 LEU A 88 -8.870 4.482 -9.527 1.00 63.22 C ATOM 1416 CD2 LEU A 88 -8.940 5.805 -7.380 1.00 50.24 C ATOM 0 H LEU A 88 -7.831 6.999 -8.602 1.00 71.42 H new ATOM 0 HA LEU A 88 -9.052 6.642 -11.194 1.00 15.35 H new ATOM 0 HB2 LEU A 88 -10.612 7.341 -8.705 1.00 74.33 H new ATOM 0 HB3 LEU A 88 -11.071 6.307 -10.043 1.00 74.33 H new ATOM 0 HG LEU A 88 -10.604 4.790 -8.297 1.00 43.14 H new ATOM 0 HD11 LEU A 88 -8.524 3.616 -8.963 1.00 63.22 H new ATOM 0 HD12 LEU A 88 -9.457 4.148 -10.383 1.00 63.22 H new ATOM 0 HD13 LEU A 88 -8.010 5.053 -9.877 1.00 63.22 H new ATOM 0 HD21 LEU A 88 -8.595 4.923 -6.839 1.00 50.24 H new ATOM 0 HD22 LEU A 88 -8.081 6.400 -7.690 1.00 50.24 H new ATOM 0 HD23 LEU A 88 -9.579 6.402 -6.730 1.00 50.24 H new ATOM 1428 N ASP A 89 -9.449 9.479 -9.473 1.00 60.22 N ATOM 1429 CA ASP A 89 -9.746 10.905 -9.592 1.00 13.11 C ATOM 1430 C ASP A 89 -8.665 11.694 -8.865 1.00 71.02 C ATOM 1431 O ASP A 89 -8.319 11.381 -7.727 1.00 73.23 O ATOM 1432 CB ASP A 89 -11.111 11.217 -8.968 1.00 12.20 C ATOM 1433 CG ASP A 89 -11.582 12.599 -9.410 1.00 71.45 C ATOM 1434 OD1 ASP A 89 -10.886 13.214 -10.201 1.00 2.22 O ATOM 1435 OD2 ASP A 89 -12.631 13.020 -8.953 1.00 55.02 O ATOM 0 H ASP A 89 -9.243 9.170 -8.523 1.00 60.22 H new ATOM 0 HA ASP A 89 -9.771 11.182 -10.646 1.00 13.11 H new ATOM 0 HB2 ASP A 89 -11.838 10.463 -9.268 1.00 12.20 H new ATOM 0 HB3 ASP A 89 -11.041 11.178 -7.881 1.00 12.20 H new ATOM 1440 N THR A 90 -8.111 12.696 -9.533 1.00 41.23 N ATOM 1441 CA THR A 90 -7.043 13.494 -8.942 1.00 43.32 C ATOM 1442 C THR A 90 -7.153 14.949 -9.407 1.00 71.42 C ATOM 1443 O THR A 90 -7.130 15.234 -10.605 1.00 3.31 O ATOM 1444 CB THR A 90 -5.702 12.847 -9.352 1.00 10.50 C ATOM 1445 OG1 THR A 90 -4.686 13.032 -8.362 1.00 24.53 O ATOM 1446 CG2 THR A 90 -5.226 13.411 -10.685 1.00 21.23 C ATOM 0 H THR A 90 -8.379 12.975 -10.477 1.00 41.23 H new ATOM 0 HA THR A 90 -7.115 13.512 -7.855 1.00 43.32 H new ATOM 0 HB THR A 90 -5.882 11.776 -9.448 1.00 10.50 H new ATOM 0 HG1 THR A 90 -3.856 12.606 -8.661 1.00 24.53 H new ATOM 0 HG21 THR A 90 -4.280 12.945 -10.960 1.00 21.23 H new ATOM 0 HG22 THR A 90 -5.970 13.204 -11.454 1.00 21.23 H new ATOM 0 HG23 THR A 90 -5.087 14.488 -10.596 1.00 21.23 H new ATOM 1454 N ASP A 91 -7.273 15.864 -8.451 1.00 12.43 N ATOM 1455 CA ASP A 91 -7.383 17.283 -8.776 1.00 32.40 C ATOM 1456 C ASP A 91 -6.019 17.822 -9.175 1.00 54.15 C ATOM 1457 O ASP A 91 -5.909 18.757 -9.969 1.00 12.41 O ATOM 1458 CB ASP A 91 -7.907 18.063 -7.572 1.00 10.41 C ATOM 1459 CG ASP A 91 -8.265 19.486 -7.990 1.00 54.10 C ATOM 1460 OD1 ASP A 91 -9.302 19.658 -8.608 1.00 55.21 O ATOM 1461 OD2 ASP A 91 -7.495 20.382 -7.685 1.00 11.43 O ATOM 0 H ASP A 91 -7.297 15.652 -7.453 1.00 12.43 H new ATOM 0 HA ASP A 91 -8.081 17.401 -9.605 1.00 32.40 H new ATOM 0 HB2 ASP A 91 -8.784 17.565 -7.159 1.00 10.41 H new ATOM 0 HB3 ASP A 91 -7.153 18.085 -6.786 1.00 10.41 H new ATOM 1466 N TYR A 92 -4.984 17.213 -8.609 1.00 21.14 N ATOM 1467 CA TYR A 92 -3.608 17.609 -8.889 1.00 20.30 C ATOM 1468 C TYR A 92 -3.349 19.042 -8.415 1.00 24.21 C ATOM 1469 O TYR A 92 -2.360 19.653 -8.822 1.00 41.10 O ATOM 1470 CB TYR A 92 -3.327 17.525 -10.414 1.00 53.22 C ATOM 1471 CG TYR A 92 -2.468 16.323 -10.757 1.00 13.25 C ATOM 1472 CD1 TYR A 92 -1.238 16.137 -10.123 1.00 3.53 C ATOM 1473 CD2 TYR A 92 -2.904 15.401 -11.719 1.00 61.01 C ATOM 1474 CE1 TYR A 92 -0.444 15.028 -10.444 1.00 33.00 C ATOM 1475 CE2 TYR A 92 -2.112 14.295 -12.039 1.00 61.10 C ATOM 1476 CZ TYR A 92 -0.884 14.108 -11.399 1.00 63.53 C ATOM 1477 OH TYR A 92 -0.105 13.016 -11.711 1.00 11.54 O ATOM 0 H TYR A 92 -5.072 16.439 -7.950 1.00 21.14 H new ATOM 0 HA TYR A 92 -2.947 16.928 -8.353 1.00 20.30 H new ATOM 0 HB2 TYR A 92 -4.271 17.465 -10.956 1.00 53.22 H new ATOM 0 HB3 TYR A 92 -2.827 18.436 -10.743 1.00 53.22 H new ATOM 0 HD1 TYR A 92 -0.898 16.848 -9.385 1.00 3.53 H new ATOM 0 HD2 TYR A 92 -3.853 15.546 -12.213 1.00 61.01 H new ATOM 0 HE1 TYR A 92 0.507 14.884 -9.954 1.00 33.00 H new ATOM 0 HE2 TYR A 92 -2.449 13.585 -12.780 1.00 61.10 H new ATOM 0 HH TYR A 92 -0.675 12.291 -12.041 1.00 11.54 H new ATOM 1487 N LYS A 93 -4.226 19.600 -7.575 1.00 53.41 N ATOM 1488 CA LYS A 93 -4.023 20.973 -7.121 1.00 75.44 C ATOM 1489 C LYS A 93 -4.855 21.279 -5.871 1.00 25.03 C ATOM 1490 O LYS A 93 -4.661 22.314 -5.235 1.00 51.50 O ATOM 1491 CB LYS A 93 -4.429 21.937 -8.254 1.00 14.33 C ATOM 1492 CG LYS A 93 -3.229 22.792 -8.696 1.00 41.01 C ATOM 1493 CD LYS A 93 -2.894 23.831 -7.613 1.00 31.43 C ATOM 1494 CE LYS A 93 -3.709 25.108 -7.841 1.00 11.33 C ATOM 1495 NZ LYS A 93 -3.600 25.987 -6.642 1.00 15.34 N ATOM 0 H LYS A 93 -5.057 19.138 -7.207 1.00 53.41 H new ATOM 0 HA LYS A 93 -2.971 21.101 -6.865 1.00 75.44 H new ATOM 0 HB2 LYS A 93 -4.809 21.369 -9.103 1.00 14.33 H new ATOM 0 HB3 LYS A 93 -5.238 22.584 -7.915 1.00 14.33 H new ATOM 0 HG2 LYS A 93 -2.365 22.153 -8.878 1.00 41.01 H new ATOM 0 HG3 LYS A 93 -3.457 23.295 -9.636 1.00 41.01 H new ATOM 0 HD2 LYS A 93 -3.111 23.423 -6.626 1.00 31.43 H new ATOM 0 HD3 LYS A 93 -1.829 24.061 -7.635 1.00 31.43 H new ATOM 0 HE2 LYS A 93 -3.344 25.632 -8.724 1.00 11.33 H new ATOM 0 HE3 LYS A 93 -4.753 24.857 -8.028 1.00 11.33 H new ATOM 0 HZ1 LYS A 93 -4.153 26.854 -6.796 1.00 15.34 H new ATOM 0 HZ2 LYS A 93 -3.968 25.485 -5.809 1.00 15.34 H new ATOM 0 HZ3 LYS A 93 -2.603 26.236 -6.484 1.00 15.34 H new ATOM 1509 N SER A 94 -5.792 20.396 -5.532 1.00 32.43 N ATOM 1510 CA SER A 94 -6.648 20.619 -4.364 1.00 4.11 C ATOM 1511 C SER A 94 -6.804 19.343 -3.546 1.00 32.02 C ATOM 1512 O SER A 94 -6.492 19.318 -2.356 1.00 70.34 O ATOM 1513 CB SER A 94 -8.025 21.103 -4.817 1.00 72.20 C ATOM 1514 OG SER A 94 -8.731 21.627 -3.699 1.00 51.42 O ATOM 0 H SER A 94 -5.978 19.531 -6.039 1.00 32.43 H new ATOM 0 HA SER A 94 -6.176 21.376 -3.738 1.00 4.11 H new ATOM 0 HB2 SER A 94 -7.919 21.868 -5.586 1.00 72.20 H new ATOM 0 HB3 SER A 94 -8.584 20.280 -5.261 1.00 72.20 H new ATOM 0 HG SER A 94 -9.628 21.234 -3.665 1.00 51.42 H new ATOM 1520 N TYR A 95 -7.290 18.290 -4.188 1.00 55.23 N ATOM 1521 CA TYR A 95 -7.484 17.013 -3.506 1.00 10.25 C ATOM 1522 C TYR A 95 -7.522 15.877 -4.519 1.00 15.01 C ATOM 1523 O TYR A 95 -7.704 16.108 -5.713 1.00 62.22 O ATOM 1524 CB TYR A 95 -8.790 17.037 -2.711 1.00 62.10 C ATOM 1525 CG TYR A 95 -9.921 17.469 -3.613 1.00 44.32 C ATOM 1526 CD1 TYR A 95 -10.542 16.538 -4.454 1.00 41.20 C ATOM 1527 CD2 TYR A 95 -10.348 18.803 -3.609 1.00 31.43 C ATOM 1528 CE1 TYR A 95 -11.590 16.940 -5.291 1.00 10.40 C ATOM 1529 CE2 TYR A 95 -11.397 19.205 -4.446 1.00 15.31 C ATOM 1530 CZ TYR A 95 -12.017 18.273 -5.286 1.00 3.43 C ATOM 1531 OH TYR A 95 -13.051 18.669 -6.112 1.00 2.42 O ATOM 0 H TYR A 95 -7.556 18.291 -5.173 1.00 55.23 H new ATOM 0 HA TYR A 95 -6.651 16.852 -2.822 1.00 10.25 H new ATOM 0 HB2 TYR A 95 -8.996 16.049 -2.300 1.00 62.10 H new ATOM 0 HB3 TYR A 95 -8.702 17.721 -1.867 1.00 62.10 H new ATOM 0 HD1 TYR A 95 -10.213 15.509 -4.457 1.00 41.20 H new ATOM 0 HD2 TYR A 95 -9.869 19.522 -2.961 1.00 31.43 H new ATOM 0 HE1 TYR A 95 -12.069 16.222 -5.940 1.00 10.40 H new ATOM 0 HE2 TYR A 95 -11.727 20.233 -4.443 1.00 15.31 H new ATOM 0 HH TYR A 95 -13.223 19.625 -5.985 1.00 2.42 H new ATOM 1541 N ALA A 96 -7.340 14.645 -4.048 1.00 33.31 N ATOM 1542 CA ALA A 96 -7.351 13.500 -4.951 1.00 74.55 C ATOM 1543 C ALA A 96 -7.763 12.219 -4.232 1.00 74.33 C ATOM 1544 O ALA A 96 -7.449 12.016 -3.059 1.00 15.54 O ATOM 1545 CB ALA A 96 -5.960 13.311 -5.559 1.00 75.12 C ATOM 0 H ALA A 96 -7.186 14.418 -3.066 1.00 33.31 H new ATOM 0 HA ALA A 96 -8.082 13.701 -5.734 1.00 74.55 H new ATOM 0 HB1 ALA A 96 -5.971 12.455 -6.233 1.00 75.12 H new ATOM 0 HB2 ALA A 96 -5.681 14.207 -6.114 1.00 75.12 H new ATOM 0 HB3 ALA A 96 -5.236 13.137 -4.763 1.00 75.12 H new ATOM 1551 N VAL A 97 -8.450 11.350 -4.967 1.00 30.22 N ATOM 1552 CA VAL A 97 -8.896 10.061 -4.437 1.00 42.51 C ATOM 1553 C VAL A 97 -8.158 8.966 -5.183 1.00 44.40 C ATOM 1554 O VAL A 97 -8.207 8.927 -6.412 1.00 60.30 O ATOM 1555 CB VAL A 97 -10.406 9.896 -4.651 1.00 65.01 C ATOM 1556 CG1 VAL A 97 -10.915 8.672 -3.876 1.00 64.11 C ATOM 1557 CG2 VAL A 97 -11.133 11.158 -4.171 1.00 22.32 C ATOM 0 H VAL A 97 -8.713 11.515 -5.939 1.00 30.22 H new ATOM 0 HA VAL A 97 -8.688 10.006 -3.368 1.00 42.51 H new ATOM 0 HB VAL A 97 -10.604 9.748 -5.713 1.00 65.01 H new ATOM 0 HG11 VAL A 97 -11.988 8.562 -4.033 1.00 64.11 H new ATOM 0 HG12 VAL A 97 -10.403 7.778 -4.231 1.00 64.11 H new ATOM 0 HG13 VAL A 97 -10.716 8.806 -2.813 1.00 64.11 H new ATOM 0 HG21 VAL A 97 -12.206 11.040 -4.323 1.00 22.32 H new ATOM 0 HG22 VAL A 97 -10.932 11.313 -3.111 1.00 22.32 H new ATOM 0 HG23 VAL A 97 -10.779 12.019 -4.737 1.00 22.32 H new ATOM 1567 N ILE A 98 -7.431 8.099 -4.474 1.00 25.41 N ATOM 1568 CA ILE A 98 -6.655 7.056 -5.135 1.00 61.15 C ATOM 1569 C ILE A 98 -6.950 5.680 -4.541 1.00 32.24 C ATOM 1570 O ILE A 98 -7.210 5.547 -3.343 1.00 53.35 O ATOM 1571 CB ILE A 98 -5.173 7.377 -4.939 1.00 61.10 C ATOM 1572 CG1 ILE A 98 -4.902 8.824 -5.373 1.00 14.24 C ATOM 1573 CG2 ILE A 98 -4.298 6.426 -5.765 1.00 62.13 C ATOM 1574 CD1 ILE A 98 -3.499 9.236 -4.932 1.00 44.22 C ATOM 0 H ILE A 98 -7.366 8.100 -3.456 1.00 25.41 H new ATOM 0 HA ILE A 98 -6.921 7.030 -6.192 1.00 61.15 H new ATOM 0 HB ILE A 98 -4.926 7.252 -3.885 1.00 61.10 H new ATOM 0 HG12 ILE A 98 -4.995 8.913 -6.455 1.00 14.24 H new ATOM 0 HG13 ILE A 98 -5.643 9.491 -4.933 1.00 14.24 H new ATOM 0 HG21 ILE A 98 -3.247 6.672 -5.611 1.00 62.13 H new ATOM 0 HG22 ILE A 98 -4.480 5.398 -5.450 1.00 62.13 H new ATOM 0 HG23 ILE A 98 -4.544 6.531 -6.822 1.00 62.13 H new ATOM 0 HD11 ILE A 98 -3.308 10.264 -5.241 1.00 44.22 H new ATOM 0 HD12 ILE A 98 -3.422 9.163 -3.847 1.00 44.22 H new ATOM 0 HD13 ILE A 98 -2.764 8.576 -5.393 1.00 44.22 H new ATOM 1586 N TYR A 99 -6.902 4.664 -5.399 1.00 53.24 N ATOM 1587 CA TYR A 99 -7.159 3.291 -4.976 1.00 23.15 C ATOM 1588 C TYR A 99 -5.838 2.576 -4.686 1.00 61.34 C ATOM 1589 O TYR A 99 -5.082 2.244 -5.599 1.00 12.32 O ATOM 1590 CB TYR A 99 -7.925 2.546 -6.079 1.00 70.10 C ATOM 1591 CG TYR A 99 -8.711 1.402 -5.481 1.00 33.33 C ATOM 1592 CD1 TYR A 99 -10.016 1.614 -5.022 1.00 60.32 C ATOM 1593 CD2 TYR A 99 -8.135 0.130 -5.389 1.00 34.55 C ATOM 1594 CE1 TYR A 99 -10.745 0.556 -4.469 1.00 45.42 C ATOM 1595 CE2 TYR A 99 -8.865 -0.930 -4.835 1.00 2.30 C ATOM 1596 CZ TYR A 99 -10.170 -0.717 -4.376 1.00 14.12 C ATOM 1597 OH TYR A 99 -10.888 -1.761 -3.830 1.00 72.31 O ATOM 0 H TYR A 99 -6.688 4.766 -6.391 1.00 53.24 H new ATOM 0 HA TYR A 99 -7.760 3.304 -4.067 1.00 23.15 H new ATOM 0 HB2 TYR A 99 -8.599 3.232 -6.592 1.00 70.10 H new ATOM 0 HB3 TYR A 99 -7.227 2.167 -6.826 1.00 70.10 H new ATOM 0 HD1 TYR A 99 -10.461 2.596 -5.095 1.00 60.32 H new ATOM 0 HD2 TYR A 99 -7.129 -0.035 -5.745 1.00 34.55 H new ATOM 0 HE1 TYR A 99 -11.751 0.721 -4.114 1.00 45.42 H new ATOM 0 HE2 TYR A 99 -8.421 -1.912 -4.762 1.00 2.30 H new ATOM 0 HH TYR A 99 -10.342 -2.575 -3.842 1.00 72.31 H new ATOM 1607 N ALA A 100 -5.570 2.361 -3.399 1.00 61.15 N ATOM 1608 CA ALA A 100 -4.335 1.701 -2.972 1.00 74.52 C ATOM 1609 C ALA A 100 -4.599 0.247 -2.596 1.00 15.42 C ATOM 1610 O ALA A 100 -5.590 -0.065 -1.936 1.00 3.20 O ATOM 1611 CB ALA A 100 -3.737 2.442 -1.770 1.00 23.01 C ATOM 0 H ALA A 100 -6.189 2.633 -2.635 1.00 61.15 H new ATOM 0 HA ALA A 100 -3.630 1.723 -3.803 1.00 74.52 H new ATOM 0 HB1 ALA A 100 -2.818 1.946 -1.457 1.00 23.01 H new ATOM 0 HB2 ALA A 100 -3.516 3.472 -2.051 1.00 23.01 H new ATOM 0 HB3 ALA A 100 -4.451 2.436 -0.947 1.00 23.01 H new ATOM 1617 N THR A 101 -3.704 -0.640 -3.027 1.00 22.14 N ATOM 1618 CA THR A 101 -3.846 -2.064 -2.736 1.00 2.44 C ATOM 1619 C THR A 101 -2.485 -2.706 -2.494 1.00 65.14 C ATOM 1620 O THR A 101 -1.534 -2.475 -3.240 1.00 34.23 O ATOM 1621 CB THR A 101 -4.542 -2.764 -3.904 1.00 71.34 C ATOM 1622 OG1 THR A 101 -3.590 -3.048 -4.917 1.00 60.50 O ATOM 1623 CG2 THR A 101 -5.631 -1.855 -4.469 1.00 45.34 C ATOM 0 H THR A 101 -2.878 -0.399 -3.575 1.00 22.14 H new ATOM 0 HA THR A 101 -4.447 -2.172 -1.833 1.00 2.44 H new ATOM 0 HB THR A 101 -4.992 -3.693 -3.555 1.00 71.34 H new ATOM 0 HG1 THR A 101 -3.967 -2.821 -5.793 1.00 60.50 H new ATOM 0 HG21 THR A 101 -6.126 -2.355 -5.301 1.00 45.34 H new ATOM 0 HG22 THR A 101 -6.362 -1.636 -3.691 1.00 45.34 H new ATOM 0 HG23 THR A 101 -5.183 -0.925 -4.819 1.00 45.34 H new ATOM 1631 N ARG A 102 -2.406 -3.516 -1.442 1.00 63.03 N ATOM 1632 CA ARG A 102 -1.162 -4.202 -1.090 1.00 41.10 C ATOM 1633 C ARG A 102 -1.436 -5.687 -0.956 1.00 45.01 C ATOM 1634 O ARG A 102 -2.396 -6.079 -0.289 1.00 64.44 O ATOM 1635 CB ARG A 102 -0.620 -3.654 0.233 1.00 61.23 C ATOM 1636 CG ARG A 102 0.675 -4.382 0.601 1.00 32.22 C ATOM 1637 CD ARG A 102 1.272 -3.752 1.861 1.00 63.32 C ATOM 1638 NE ARG A 102 2.542 -4.389 2.190 1.00 44.34 N ATOM 1639 CZ ARG A 102 3.410 -3.807 3.012 1.00 61.05 C ATOM 1640 NH1 ARG A 102 3.132 -2.646 3.539 1.00 43.54 N ATOM 1641 NH2 ARG A 102 4.540 -4.397 3.292 1.00 22.11 N ATOM 0 H ARG A 102 -3.187 -3.715 -0.817 1.00 63.03 H new ATOM 0 HA ARG A 102 -0.420 -4.034 -1.871 1.00 41.10 H new ATOM 0 HB2 ARG A 102 -0.434 -2.583 0.146 1.00 61.23 H new ATOM 0 HB3 ARG A 102 -1.360 -3.786 1.023 1.00 61.23 H new ATOM 0 HG2 ARG A 102 0.475 -5.440 0.770 1.00 32.22 H new ATOM 0 HG3 ARG A 102 1.387 -4.320 -0.222 1.00 32.22 H new ATOM 0 HD2 ARG A 102 1.422 -2.684 1.706 1.00 63.32 H new ATOM 0 HD3 ARG A 102 0.577 -3.859 2.694 1.00 63.32 H new ATOM 0 HE ARG A 102 2.768 -5.296 1.783 1.00 44.34 H new ATOM 0 HH11 ARG A 102 2.249 -2.185 3.320 1.00 43.54 H new ATOM 0 HH12 ARG A 102 3.798 -2.200 4.170 1.00 43.54 H new ATOM 0 HH21 ARG A 102 4.757 -5.305 2.880 1.00 22.11 H new ATOM 0 HH22 ARG A 102 5.206 -3.951 3.923 1.00 22.11 H new ATOM 1655 N VAL A 103 -0.623 -6.527 -1.603 1.00 70.43 N ATOM 1656 CA VAL A 103 -0.842 -7.971 -1.544 1.00 10.05 C ATOM 1657 C VAL A 103 0.354 -8.685 -0.929 1.00 54.11 C ATOM 1658 O VAL A 103 1.473 -8.605 -1.436 1.00 2.21 O ATOM 1659 CB VAL A 103 -1.094 -8.507 -2.960 1.00 31.23 C ATOM 1660 CG1 VAL A 103 0.086 -8.149 -3.871 1.00 51.32 C ATOM 1661 CG2 VAL A 103 -1.259 -10.029 -2.923 1.00 33.31 C ATOM 0 H VAL A 103 0.178 -6.237 -2.164 1.00 70.43 H new ATOM 0 HA VAL A 103 -1.711 -8.162 -0.914 1.00 10.05 H new ATOM 0 HB VAL A 103 -2.006 -8.053 -3.349 1.00 31.23 H new ATOM 0 HG11 VAL A 103 -0.100 -8.532 -4.874 1.00 51.32 H new ATOM 0 HG12 VAL A 103 0.199 -7.066 -3.912 1.00 51.32 H new ATOM 0 HG13 VAL A 103 0.999 -8.594 -3.476 1.00 51.32 H new ATOM 0 HG21 VAL A 103 -1.437 -10.400 -3.932 1.00 33.31 H new ATOM 0 HG22 VAL A 103 -0.352 -10.484 -2.524 1.00 33.31 H new ATOM 0 HG23 VAL A 103 -2.105 -10.288 -2.286 1.00 33.31 H new ATOM 1671 N LYS A 104 0.101 -9.396 0.167 1.00 41.30 N ATOM 1672 CA LYS A 104 1.143 -10.145 0.855 1.00 42.44 C ATOM 1673 C LYS A 104 1.047 -11.611 0.463 1.00 54.14 C ATOM 1674 O LYS A 104 0.075 -12.028 -0.167 1.00 32.45 O ATOM 1675 CB LYS A 104 0.980 -10.004 2.370 1.00 51.32 C ATOM 1676 CG LYS A 104 1.231 -8.552 2.779 1.00 75.04 C ATOM 1677 CD LYS A 104 0.711 -8.323 4.201 1.00 50.41 C ATOM 1678 CE LYS A 104 1.345 -9.341 5.152 1.00 54.34 C ATOM 1679 NZ LYS A 104 1.174 -8.880 6.559 1.00 25.13 N ATOM 0 H LYS A 104 -0.821 -9.468 0.597 1.00 41.30 H new ATOM 0 HA LYS A 104 2.118 -9.751 0.569 1.00 42.44 H new ATOM 0 HB2 LYS A 104 -0.023 -10.308 2.668 1.00 51.32 H new ATOM 0 HB3 LYS A 104 1.679 -10.664 2.884 1.00 51.32 H new ATOM 0 HG2 LYS A 104 2.297 -8.329 2.730 1.00 75.04 H new ATOM 0 HG3 LYS A 104 0.731 -7.876 2.085 1.00 75.04 H new ATOM 0 HD2 LYS A 104 0.948 -7.310 4.527 1.00 50.41 H new ATOM 0 HD3 LYS A 104 -0.375 -8.419 4.221 1.00 50.41 H new ATOM 0 HE2 LYS A 104 0.880 -10.318 5.019 1.00 54.34 H new ATOM 0 HE3 LYS A 104 2.404 -9.458 4.923 1.00 54.34 H new ATOM 0 HZ1 LYS A 104 1.605 -9.571 7.206 1.00 25.13 H new ATOM 0 HZ2 LYS A 104 1.637 -7.957 6.681 1.00 25.13 H new ATOM 0 HZ3 LYS A 104 0.160 -8.790 6.774 1.00 25.13 H new ATOM 1693 N ASP A 105 2.054 -12.390 0.824 1.00 3.11 N ATOM 1694 CA ASP A 105 2.050 -13.802 0.482 1.00 35.33 C ATOM 1695 C ASP A 105 0.819 -14.496 1.060 1.00 3.02 C ATOM 1696 O ASP A 105 0.715 -14.699 2.269 1.00 72.23 O ATOM 1697 CB ASP A 105 3.315 -14.472 1.023 1.00 23.03 C ATOM 1698 CG ASP A 105 4.544 -13.920 0.307 1.00 34.35 C ATOM 1699 OD1 ASP A 105 4.370 -13.111 -0.588 1.00 53.11 O ATOM 1700 OD2 ASP A 105 5.641 -14.315 0.666 1.00 41.32 O ATOM 0 H ASP A 105 2.872 -12.075 1.345 1.00 3.11 H new ATOM 0 HA ASP A 105 2.024 -13.891 -0.604 1.00 35.33 H new ATOM 0 HB2 ASP A 105 3.399 -14.297 2.095 1.00 23.03 H new ATOM 0 HB3 ASP A 105 3.255 -15.551 0.880 1.00 23.03 H new ATOM 1705 N GLY A 106 -0.096 -14.883 0.173 1.00 63.24 N ATOM 1706 CA GLY A 106 -1.309 -15.589 0.581 1.00 64.54 C ATOM 1707 C GLY A 106 -2.448 -14.644 0.968 1.00 13.22 C ATOM 1708 O GLY A 106 -3.563 -15.098 1.222 1.00 71.13 O ATOM 0 H GLY A 106 -0.021 -14.720 -0.831 1.00 63.24 H new ATOM 0 HA2 GLY A 106 -1.639 -16.233 -0.234 1.00 64.54 H new ATOM 0 HA3 GLY A 106 -1.079 -16.237 1.426 1.00 64.54 H new ATOM 1712 N ARG A 107 -2.175 -13.339 1.033 1.00 24.31 N ATOM 1713 CA ARG A 107 -3.217 -12.377 1.415 1.00 34.31 C ATOM 1714 C ARG A 107 -3.230 -11.155 0.498 1.00 33.21 C ATOM 1715 O ARG A 107 -2.183 -10.663 0.079 1.00 12.22 O ATOM 1716 CB ARG A 107 -2.990 -11.923 2.859 1.00 65.14 C ATOM 1717 CG ARG A 107 -4.218 -11.154 3.351 1.00 72.35 C ATOM 1718 CD ARG A 107 -3.992 -10.700 4.793 1.00 74.21 C ATOM 1719 NE ARG A 107 -5.212 -10.114 5.336 1.00 33.21 N ATOM 1720 CZ ARG A 107 -5.189 -9.383 6.446 1.00 12.54 C ATOM 1721 NH1 ARG A 107 -4.061 -9.181 7.070 1.00 41.13 N ATOM 1722 NH2 ARG A 107 -6.294 -8.870 6.912 1.00 32.22 N ATOM 0 H ARG A 107 -1.263 -12.928 0.832 1.00 24.31 H new ATOM 0 HA ARG A 107 -4.181 -12.878 1.321 1.00 34.31 H new ATOM 0 HB2 ARG A 107 -2.808 -12.787 3.499 1.00 65.14 H new ATOM 0 HB3 ARG A 107 -2.104 -11.291 2.918 1.00 65.14 H new ATOM 0 HG2 ARG A 107 -4.400 -10.291 2.711 1.00 72.35 H new ATOM 0 HG3 ARG A 107 -5.104 -11.786 3.292 1.00 72.35 H new ATOM 0 HD2 ARG A 107 -3.684 -11.548 5.405 1.00 74.21 H new ATOM 0 HD3 ARG A 107 -3.183 -9.971 4.829 1.00 74.21 H new ATOM 0 HE ARG A 107 -6.099 -10.268 4.856 1.00 33.21 H new ATOM 0 HH11 ARG A 107 -3.198 -9.584 6.706 1.00 41.13 H new ATOM 0 HH12 ARG A 107 -4.043 -8.620 7.922 1.00 41.13 H new ATOM 0 HH21 ARG A 107 -7.176 -9.030 6.425 1.00 32.22 H new ATOM 0 HH22 ARG A 107 -6.276 -8.309 7.764 1.00 32.22 H new ATOM 1736 N THR A 108 -4.438 -10.661 0.215 1.00 21.31 N ATOM 1737 CA THR A 108 -4.626 -9.481 -0.632 1.00 3.44 C ATOM 1738 C THR A 108 -5.213 -8.348 0.200 1.00 34.05 C ATOM 1739 O THR A 108 -5.792 -8.591 1.258 1.00 54.34 O ATOM 1740 CB THR A 108 -5.570 -9.812 -1.791 1.00 44.21 C ATOM 1741 OG1 THR A 108 -5.118 -10.990 -2.445 1.00 23.54 O ATOM 1742 CG2 THR A 108 -5.592 -8.650 -2.785 1.00 62.20 C ATOM 0 H THR A 108 -5.307 -11.064 0.564 1.00 21.31 H new ATOM 0 HA THR A 108 -3.662 -9.174 -1.038 1.00 3.44 H new ATOM 0 HB THR A 108 -6.576 -9.973 -1.405 1.00 44.21 H new ATOM 0 HG1 THR A 108 -5.722 -11.205 -3.186 1.00 23.54 H new ATOM 0 HG21 THR A 108 -6.265 -8.889 -3.609 1.00 62.20 H new ATOM 0 HG22 THR A 108 -5.940 -7.748 -2.282 1.00 62.20 H new ATOM 0 HG23 THR A 108 -4.587 -8.484 -3.174 1.00 62.20 H new ATOM 1750 N LEU A 109 -5.062 -7.110 -0.267 1.00 1.25 N ATOM 1751 CA LEU A 109 -5.590 -5.972 0.479 1.00 44.12 C ATOM 1752 C LEU A 109 -5.981 -4.831 -0.439 1.00 21.02 C ATOM 1753 O LEU A 109 -5.425 -4.657 -1.522 1.00 0.23 O ATOM 1754 CB LEU A 109 -4.540 -5.464 1.471 1.00 1.31 C ATOM 1755 CG LEU A 109 -5.218 -4.893 2.729 1.00 74.42 C ATOM 1756 CD1 LEU A 109 -5.527 -6.026 3.716 1.00 53.21 C ATOM 1757 CD2 LEU A 109 -4.280 -3.884 3.395 1.00 22.22 C ATOM 0 H LEU A 109 -4.589 -6.873 -1.139 1.00 1.25 H new ATOM 0 HA LEU A 109 -6.479 -6.315 1.007 1.00 44.12 H new ATOM 0 HB2 LEU A 109 -3.870 -6.278 1.749 1.00 1.31 H new ATOM 0 HB3 LEU A 109 -3.928 -4.695 1.000 1.00 1.31 H new ATOM 0 HG LEU A 109 -6.148 -4.402 2.444 1.00 74.42 H new ATOM 0 HD11 LEU A 109 -6.007 -5.614 4.604 1.00 53.21 H new ATOM 0 HD12 LEU A 109 -6.194 -6.747 3.244 1.00 53.21 H new ATOM 0 HD13 LEU A 109 -4.600 -6.522 4.002 1.00 53.21 H new ATOM 0 HD21 LEU A 109 -4.757 -3.477 4.287 1.00 22.22 H new ATOM 0 HD22 LEU A 109 -3.351 -4.381 3.675 1.00 22.22 H new ATOM 0 HD23 LEU A 109 -4.063 -3.074 2.698 1.00 22.22 H new ATOM 1769 N HIS A 110 -6.924 -4.042 0.042 1.00 74.14 N ATOM 1770 CA HIS A 110 -7.400 -2.881 -0.694 1.00 2.42 C ATOM 1771 C HIS A 110 -7.704 -1.745 0.275 1.00 61.44 C ATOM 1772 O HIS A 110 -8.202 -1.984 1.375 1.00 4.14 O ATOM 1773 CB HIS A 110 -8.656 -3.234 -1.492 1.00 4.35 C ATOM 1774 CG HIS A 110 -9.696 -3.800 -0.564 1.00 42.25 C ATOM 1775 ND1 HIS A 110 -10.924 -3.187 -0.368 1.00 22.43 N ATOM 1776 CD2 HIS A 110 -9.706 -4.921 0.228 1.00 72.54 C ATOM 1777 CE1 HIS A 110 -11.615 -3.936 0.511 1.00 13.53 C ATOM 1778 NE2 HIS A 110 -10.919 -5.006 0.905 1.00 3.34 N ATOM 0 H HIS A 110 -7.379 -4.184 0.944 1.00 74.14 H new ATOM 0 HA HIS A 110 -6.623 -2.563 -1.389 1.00 2.42 H new ATOM 0 HB2 HIS A 110 -9.044 -2.346 -1.992 1.00 4.35 H new ATOM 0 HB3 HIS A 110 -8.414 -3.958 -2.270 1.00 4.35 H new ATOM 0 HD2 HIS A 110 -8.895 -5.630 0.313 1.00 72.54 H new ATOM 0 HE1 HIS A 110 -12.611 -3.701 0.856 1.00 13.53 H new ATOM 0 HE2 HIS A 110 -11.213 -5.730 1.561 1.00 3.34 H new ATOM 1786 N MET A 111 -7.419 -0.507 -0.129 1.00 73.00 N ATOM 1787 CA MET A 111 -7.692 0.637 0.732 1.00 41.14 C ATOM 1788 C MET A 111 -7.803 1.921 -0.093 1.00 62.23 C ATOM 1789 O MET A 111 -7.165 2.054 -1.137 1.00 11.35 O ATOM 1790 CB MET A 111 -6.584 0.784 1.783 1.00 54.23 C ATOM 1791 CG MET A 111 -5.229 0.444 1.161 1.00 11.02 C ATOM 1792 SD MET A 111 -3.910 1.139 2.186 1.00 15.40 S ATOM 1793 CE MET A 111 -4.270 0.198 3.689 1.00 40.11 C ATOM 0 H MET A 111 -7.006 -0.275 -1.032 1.00 73.00 H new ATOM 0 HA MET A 111 -8.643 0.467 1.237 1.00 41.14 H new ATOM 0 HB2 MET A 111 -6.571 1.803 2.170 1.00 54.23 H new ATOM 0 HB3 MET A 111 -6.782 0.124 2.628 1.00 54.23 H new ATOM 0 HG2 MET A 111 -5.113 -0.637 1.082 1.00 11.02 H new ATOM 0 HG3 MET A 111 -5.169 0.846 0.149 1.00 11.02 H new ATOM 0 HE1 MET A 111 -3.337 -0.052 4.194 1.00 40.11 H new ATOM 0 HE2 MET A 111 -4.893 0.797 4.353 1.00 40.11 H new ATOM 0 HE3 MET A 111 -4.797 -0.719 3.427 1.00 40.11 H new ATOM 1803 N MET A 112 -8.603 2.870 0.396 1.00 12.55 N ATOM 1804 CA MET A 112 -8.779 4.156 -0.287 1.00 21.34 C ATOM 1805 C MET A 112 -8.237 5.283 0.587 1.00 60.43 C ATOM 1806 O MET A 112 -8.269 5.190 1.813 1.00 63.12 O ATOM 1807 CB MET A 112 -10.264 4.402 -0.587 1.00 24.24 C ATOM 1808 CG MET A 112 -10.405 5.439 -1.708 1.00 34.21 C ATOM 1809 SD MET A 112 -10.331 4.602 -3.313 1.00 52.03 S ATOM 1810 CE MET A 112 -12.092 4.701 -3.720 1.00 62.30 C ATOM 0 H MET A 112 -9.138 2.775 1.259 1.00 12.55 H new ATOM 0 HA MET A 112 -8.230 4.131 -1.228 1.00 21.34 H new ATOM 0 HB2 MET A 112 -10.744 3.469 -0.881 1.00 24.24 H new ATOM 0 HB3 MET A 112 -10.772 4.753 0.311 1.00 24.24 H new ATOM 0 HG2 MET A 112 -11.349 5.974 -1.607 1.00 34.21 H new ATOM 0 HG3 MET A 112 -9.609 6.181 -1.635 1.00 34.21 H new ATOM 0 HE1 MET A 112 -12.319 4.004 -4.527 1.00 62.30 H new ATOM 0 HE2 MET A 112 -12.684 4.444 -2.841 1.00 62.30 H new ATOM 0 HE3 MET A 112 -12.336 5.715 -4.037 1.00 62.30 H new ATOM 1820 N ARG A 113 -7.731 6.346 -0.042 1.00 34.35 N ATOM 1821 CA ARG A 113 -7.176 7.477 0.710 1.00 24.33 C ATOM 1822 C ARG A 113 -7.557 8.809 0.064 1.00 31.12 C ATOM 1823 O ARG A 113 -7.788 8.880 -1.144 1.00 0.13 O ATOM 1824 CB ARG A 113 -5.650 7.361 0.768 1.00 4.41 C ATOM 1825 CG ARG A 113 -5.253 6.246 1.738 1.00 54.44 C ATOM 1826 CD ARG A 113 -3.757 5.959 1.608 1.00 61.22 C ATOM 1827 NE ARG A 113 -3.386 4.832 2.456 1.00 62.31 N ATOM 1828 CZ ARG A 113 -2.119 4.453 2.582 1.00 24.31 C ATOM 1829 NH1 ARG A 113 -1.180 5.092 1.940 1.00 71.52 N ATOM 1830 NH2 ARG A 113 -1.814 3.442 3.348 1.00 30.23 N ATOM 0 H ARG A 113 -7.693 6.449 -1.056 1.00 34.35 H new ATOM 0 HA ARG A 113 -7.590 7.449 1.718 1.00 24.33 H new ATOM 0 HB2 ARG A 113 -5.254 7.150 -0.225 1.00 4.41 H new ATOM 0 HB3 ARG A 113 -5.216 8.308 1.090 1.00 4.41 H new ATOM 0 HG2 ARG A 113 -5.489 6.539 2.761 1.00 54.44 H new ATOM 0 HG3 ARG A 113 -5.826 5.344 1.525 1.00 54.44 H new ATOM 0 HD2 ARG A 113 -3.510 5.739 0.569 1.00 61.22 H new ATOM 0 HD3 ARG A 113 -3.184 6.842 1.892 1.00 61.22 H new ATOM 0 HE ARG A 113 -4.113 4.325 2.962 1.00 62.31 H new ATOM 0 HH11 ARG A 113 -1.419 5.883 1.341 1.00 71.52 H new ATOM 0 HH12 ARG A 113 -0.207 4.801 2.037 1.00 71.52 H new ATOM 0 HH21 ARG A 113 -2.548 2.943 3.850 1.00 30.23 H new ATOM 0 HH22 ARG A 113 -0.841 3.151 3.445 1.00 30.23 H new ATOM 1844 N LEU A 114 -7.605 9.867 0.881 1.00 65.42 N ATOM 1845 CA LEU A 114 -7.943 11.208 0.382 1.00 33.01 C ATOM 1846 C LEU A 114 -6.773 12.157 0.582 1.00 14.45 C ATOM 1847 O LEU A 114 -6.237 12.269 1.686 1.00 44.00 O ATOM 1848 CB LEU A 114 -9.157 11.772 1.125 1.00 20.54 C ATOM 1849 CG LEU A 114 -9.590 13.108 0.502 1.00 10.22 C ATOM 1850 CD1 LEU A 114 -10.075 12.896 -0.939 1.00 43.22 C ATOM 1851 CD2 LEU A 114 -10.724 13.701 1.341 1.00 25.23 C ATOM 0 H LEU A 114 -7.416 9.824 1.882 1.00 65.42 H new ATOM 0 HA LEU A 114 -8.173 11.118 -0.680 1.00 33.01 H new ATOM 0 HB2 LEU A 114 -9.981 11.059 1.083 1.00 20.54 H new ATOM 0 HB3 LEU A 114 -8.913 11.916 2.178 1.00 20.54 H new ATOM 0 HG LEU A 114 -8.739 13.789 0.485 1.00 10.22 H new ATOM 0 HD11 LEU A 114 -10.378 13.852 -1.365 1.00 43.22 H new ATOM 0 HD12 LEU A 114 -9.268 12.472 -1.536 1.00 43.22 H new ATOM 0 HD13 LEU A 114 -10.924 12.213 -0.940 1.00 43.22 H new ATOM 0 HD21 LEU A 114 -11.039 14.650 0.908 1.00 25.23 H new ATOM 0 HD22 LEU A 114 -11.567 13.010 1.354 1.00 25.23 H new ATOM 0 HD23 LEU A 114 -10.375 13.866 2.360 1.00 25.23 H new ATOM 1863 N TYR A 115 -6.373 12.828 -0.493 1.00 41.23 N ATOM 1864 CA TYR A 115 -5.252 13.761 -0.429 1.00 35.42 C ATOM 1865 C TYR A 115 -5.731 15.208 -0.473 1.00 43.40 C ATOM 1866 O TYR A 115 -6.841 15.496 -0.919 1.00 11.25 O ATOM 1867 CB TYR A 115 -4.298 13.497 -1.592 1.00 64.12 C ATOM 1868 CG TYR A 115 -3.727 12.107 -1.453 1.00 63.00 C ATOM 1869 CD1 TYR A 115 -4.541 10.990 -1.681 1.00 23.32 C ATOM 1870 CD2 TYR A 115 -2.388 11.933 -1.087 1.00 62.34 C ATOM 1871 CE1 TYR A 115 -4.015 9.701 -1.542 1.00 1.21 C ATOM 1872 CE2 TYR A 115 -1.862 10.644 -0.950 1.00 11.23 C ATOM 1873 CZ TYR A 115 -2.676 9.527 -1.177 1.00 21.35 C ATOM 1874 OH TYR A 115 -2.161 8.255 -1.036 1.00 24.05 O ATOM 0 H TYR A 115 -6.804 12.745 -1.414 1.00 41.23 H new ATOM 0 HA TYR A 115 -4.733 13.606 0.517 1.00 35.42 H new ATOM 0 HB2 TYR A 115 -4.825 13.594 -2.541 1.00 64.12 H new ATOM 0 HB3 TYR A 115 -3.496 14.235 -1.596 1.00 64.12 H new ATOM 0 HD1 TYR A 115 -5.575 11.124 -1.964 1.00 23.32 H new ATOM 0 HD2 TYR A 115 -1.760 12.794 -0.910 1.00 62.34 H new ATOM 0 HE1 TYR A 115 -4.643 8.840 -1.717 1.00 1.21 H new ATOM 0 HE2 TYR A 115 -0.828 10.510 -0.669 1.00 11.23 H new ATOM 0 HH TYR A 115 -2.896 7.608 -0.987 1.00 24.05 H new ATOM 1884 N SER A 116 -4.873 16.117 -0.008 1.00 23.20 N ATOM 1885 CA SER A 116 -5.192 17.544 0.005 1.00 54.05 C ATOM 1886 C SER A 116 -3.961 18.354 -0.392 1.00 53.25 C ATOM 1887 O SER A 116 -2.845 18.037 0.016 1.00 35.31 O ATOM 1888 CB SER A 116 -5.650 17.970 1.402 1.00 20.03 C ATOM 1889 OG SER A 116 -5.886 19.372 1.409 1.00 51.40 O ATOM 0 H SER A 116 -3.951 15.889 0.365 1.00 23.20 H new ATOM 0 HA SER A 116 -5.996 17.729 -0.708 1.00 54.05 H new ATOM 0 HB2 SER A 116 -6.558 17.435 1.679 1.00 20.03 H new ATOM 0 HB3 SER A 116 -4.891 17.713 2.141 1.00 20.03 H new ATOM 0 HG SER A 116 -5.779 19.717 2.320 1.00 51.40 H new ATOM 1895 N ARG A 117 -4.165 19.399 -1.187 1.00 35.02 N ATOM 1896 CA ARG A 117 -3.054 20.238 -1.625 1.00 71.21 C ATOM 1897 C ARG A 117 -2.583 21.134 -0.488 1.00 13.41 C ATOM 1898 O ARG A 117 -1.449 21.613 -0.486 1.00 44.44 O ATOM 1899 CB ARG A 117 -3.494 21.105 -2.806 1.00 40.43 C ATOM 1900 CG ARG A 117 -2.277 21.814 -3.422 1.00 11.15 C ATOM 1901 CD ARG A 117 -1.336 20.794 -4.079 1.00 3.14 C ATOM 1902 NE ARG A 117 -0.603 21.424 -5.171 1.00 73.35 N ATOM 1903 CZ ARG A 117 0.290 22.380 -4.938 1.00 71.11 C ATOM 1904 NH1 ARG A 117 0.530 22.766 -3.715 1.00 45.01 N ATOM 1905 NH2 ARG A 117 0.930 22.932 -5.933 1.00 11.31 N ATOM 0 H ARG A 117 -5.079 19.684 -1.539 1.00 35.02 H new ATOM 0 HA ARG A 117 -2.231 19.592 -1.931 1.00 71.21 H new ATOM 0 HB2 ARG A 117 -3.984 20.487 -3.558 1.00 40.43 H new ATOM 0 HB3 ARG A 117 -4.225 21.842 -2.474 1.00 40.43 H new ATOM 0 HG2 ARG A 117 -2.609 22.541 -4.163 1.00 11.15 H new ATOM 0 HG3 ARG A 117 -1.742 22.367 -2.650 1.00 11.15 H new ATOM 0 HD2 ARG A 117 -0.638 20.402 -3.340 1.00 3.14 H new ATOM 0 HD3 ARG A 117 -1.910 19.947 -4.456 1.00 3.14 H new ATOM 0 HE ARG A 117 -0.779 21.126 -6.130 1.00 73.35 H new ATOM 0 HH11 ARG A 117 0.032 22.334 -2.937 1.00 45.01 H new ATOM 0 HH12 ARG A 117 1.216 23.500 -3.537 1.00 45.01 H new ATOM 0 HH21 ARG A 117 0.745 22.629 -6.889 1.00 11.31 H new ATOM 0 HH22 ARG A 117 1.615 23.666 -5.754 1.00 11.31 H new ATOM 1919 N SER A 118 -3.463 21.350 0.483 1.00 32.40 N ATOM 1920 CA SER A 118 -3.138 22.189 1.635 1.00 63.20 C ATOM 1921 C SER A 118 -3.569 21.499 2.931 1.00 61.33 C ATOM 1922 O SER A 118 -4.603 20.831 2.964 1.00 30.25 O ATOM 1923 CB SER A 118 -3.859 23.533 1.510 1.00 51.41 C ATOM 1924 OG SER A 118 -3.570 24.331 2.650 1.00 31.33 O ATOM 0 H SER A 118 -4.405 20.958 0.498 1.00 32.40 H new ATOM 0 HA SER A 118 -2.060 22.351 1.660 1.00 63.20 H new ATOM 0 HB2 SER A 118 -3.540 24.046 0.603 1.00 51.41 H new ATOM 0 HB3 SER A 118 -4.934 23.375 1.426 1.00 51.41 H new ATOM 0 HG SER A 118 -4.030 25.193 2.571 1.00 31.33 H new ATOM 1930 N PRO A 119 -2.809 21.642 3.994 1.00 3.24 N ATOM 1931 CA PRO A 119 -3.142 21.018 5.305 1.00 44.12 C ATOM 1932 C PRO A 119 -4.639 21.056 5.608 1.00 72.42 C ATOM 1933 O PRO A 119 -5.134 20.288 6.433 1.00 71.12 O ATOM 1934 CB PRO A 119 -2.357 21.869 6.304 1.00 52.42 C ATOM 1935 CG PRO A 119 -1.159 22.357 5.551 1.00 34.50 C ATOM 1936 CD PRO A 119 -1.550 22.408 4.067 1.00 15.31 C ATOM 0 HA PRO A 119 -2.885 19.959 5.335 1.00 44.12 H new ATOM 0 HB2 PRO A 119 -2.958 22.702 6.669 1.00 52.42 H new ATOM 0 HB3 PRO A 119 -2.063 21.283 7.174 1.00 52.42 H new ATOM 0 HG2 PRO A 119 -0.857 23.343 5.904 1.00 34.50 H new ATOM 0 HG3 PRO A 119 -0.310 21.690 5.703 1.00 34.50 H new ATOM 0 HD2 PRO A 119 -1.689 23.434 3.727 1.00 15.31 H new ATOM 0 HD3 PRO A 119 -0.778 21.966 3.437 1.00 15.31 H new ATOM 1944 N GLU A 120 -5.352 21.954 4.938 1.00 12.04 N ATOM 1945 CA GLU A 120 -6.782 22.089 5.140 1.00 73.12 C ATOM 1946 C GLU A 120 -7.538 21.073 4.298 1.00 71.11 C ATOM 1947 O GLU A 120 -7.006 20.520 3.336 1.00 70.14 O ATOM 1948 CB GLU A 120 -7.232 23.496 4.752 1.00 71.14 C ATOM 1949 CG GLU A 120 -6.342 24.529 5.447 1.00 62.05 C ATOM 1950 CD GLU A 120 -6.851 25.937 5.155 1.00 43.35 C ATOM 1951 OE1 GLU A 120 -7.733 26.065 4.322 1.00 30.22 O ATOM 1952 OE2 GLU A 120 -6.349 26.865 5.768 1.00 53.21 O ATOM 0 H GLU A 120 -4.959 22.598 4.251 1.00 12.04 H new ATOM 0 HA GLU A 120 -6.998 21.911 6.193 1.00 73.12 H new ATOM 0 HB2 GLU A 120 -7.176 23.621 3.671 1.00 71.14 H new ATOM 0 HB3 GLU A 120 -8.273 23.647 5.037 1.00 71.14 H new ATOM 0 HG2 GLU A 120 -6.336 24.351 6.522 1.00 62.05 H new ATOM 0 HG3 GLU A 120 -5.313 24.426 5.101 1.00 62.05 H new ATOM 1959 N VAL A 121 -8.786 20.845 4.673 1.00 51.32 N ATOM 1960 CA VAL A 121 -9.648 19.902 3.961 1.00 70.22 C ATOM 1961 C VAL A 121 -10.848 20.632 3.368 1.00 31.20 C ATOM 1962 O VAL A 121 -11.671 21.184 4.096 1.00 54.13 O ATOM 1963 CB VAL A 121 -10.133 18.814 4.920 1.00 45.22 C ATOM 1964 CG1 VAL A 121 -10.837 17.711 4.127 1.00 2.32 C ATOM 1965 CG2 VAL A 121 -8.936 18.220 5.664 1.00 14.34 C ATOM 0 H VAL A 121 -9.231 21.300 5.470 1.00 51.32 H new ATOM 0 HA VAL A 121 -9.075 19.444 3.155 1.00 70.22 H new ATOM 0 HB VAL A 121 -10.830 19.247 5.638 1.00 45.22 H new ATOM 0 HG11 VAL A 121 -11.183 16.935 4.811 1.00 2.32 H new ATOM 0 HG12 VAL A 121 -11.690 18.133 3.596 1.00 2.32 H new ATOM 0 HG13 VAL A 121 -10.140 17.278 3.409 1.00 2.32 H new ATOM 0 HG21 VAL A 121 -9.281 17.444 6.348 1.00 14.34 H new ATOM 0 HG22 VAL A 121 -8.240 17.787 4.946 1.00 14.34 H new ATOM 0 HG23 VAL A 121 -8.433 19.005 6.229 1.00 14.34 H new ATOM 1975 N SER A 122 -10.941 20.632 2.042 1.00 1.10 N ATOM 1976 CA SER A 122 -12.047 21.301 1.367 1.00 43.21 C ATOM 1977 C SER A 122 -13.320 20.452 1.458 1.00 54.54 C ATOM 1978 O SER A 122 -13.309 19.284 1.069 1.00 31.13 O ATOM 1979 CB SER A 122 -11.693 21.527 -0.103 1.00 63.12 C ATOM 1980 OG SER A 122 -11.920 20.327 -0.830 1.00 31.32 O ATOM 0 H SER A 122 -10.271 20.181 1.419 1.00 1.10 H new ATOM 0 HA SER A 122 -12.224 22.260 1.854 1.00 43.21 H new ATOM 0 HB2 SER A 122 -12.298 22.335 -0.515 1.00 63.12 H new ATOM 0 HB3 SER A 122 -10.650 21.830 -0.196 1.00 63.12 H new ATOM 0 HG SER A 122 -11.695 20.469 -1.773 1.00 31.32 H new ATOM 1986 N PRO A 123 -14.414 20.993 1.953 1.00 44.52 N ATOM 1987 CA PRO A 123 -15.689 20.230 2.069 1.00 42.35 C ATOM 1988 C PRO A 123 -15.949 19.362 0.839 1.00 51.43 C ATOM 1989 O PRO A 123 -16.561 18.298 0.935 1.00 53.20 O ATOM 1990 CB PRO A 123 -16.746 21.326 2.207 1.00 40.41 C ATOM 1991 CG PRO A 123 -16.041 22.459 2.881 1.00 11.25 C ATOM 1992 CD PRO A 123 -14.568 22.374 2.455 1.00 24.14 C ATOM 0 HA PRO A 123 -15.683 19.532 2.906 1.00 42.35 H new ATOM 0 HB2 PRO A 123 -17.134 21.625 1.233 1.00 40.41 H new ATOM 0 HB3 PRO A 123 -17.596 20.983 2.797 1.00 40.41 H new ATOM 0 HG2 PRO A 123 -16.475 23.415 2.587 1.00 11.25 H new ATOM 0 HG3 PRO A 123 -16.136 22.385 3.964 1.00 11.25 H new ATOM 0 HD2 PRO A 123 -14.334 23.107 1.683 1.00 24.14 H new ATOM 0 HD3 PRO A 123 -13.899 22.570 3.293 1.00 24.14 H new ATOM 2000 N ALA A 124 -15.476 19.825 -0.314 1.00 11.33 N ATOM 2001 CA ALA A 124 -15.660 19.085 -1.556 1.00 55.41 C ATOM 2002 C ALA A 124 -14.716 17.887 -1.607 1.00 44.30 C ATOM 2003 O ALA A 124 -15.051 16.845 -2.169 1.00 71.20 O ATOM 2004 CB ALA A 124 -15.392 19.999 -2.753 1.00 72.33 C ATOM 0 H ALA A 124 -14.966 20.703 -0.413 1.00 11.33 H new ATOM 0 HA ALA A 124 -16.689 18.727 -1.597 1.00 55.41 H new ATOM 0 HB1 ALA A 124 -15.532 19.438 -3.677 1.00 72.33 H new ATOM 0 HB2 ALA A 124 -16.085 20.840 -2.731 1.00 72.33 H new ATOM 0 HB3 ALA A 124 -14.368 20.371 -2.705 1.00 72.33 H new ATOM 2010 N ALA A 125 -13.537 18.045 -1.014 1.00 1.14 N ATOM 2011 CA ALA A 125 -12.554 16.968 -0.998 1.00 25.50 C ATOM 2012 C ALA A 125 -13.060 15.793 -0.170 1.00 15.54 C ATOM 2013 O ALA A 125 -12.921 14.640 -0.566 1.00 3.41 O ATOM 2014 CB ALA A 125 -11.233 17.471 -0.409 1.00 34.13 C ATOM 0 H ALA A 125 -13.241 18.900 -0.543 1.00 1.14 H new ATOM 0 HA ALA A 125 -12.393 16.637 -2.024 1.00 25.50 H new ATOM 0 HB1 ALA A 125 -10.506 16.659 -0.401 1.00 34.13 H new ATOM 0 HB2 ALA A 125 -10.853 18.293 -1.016 1.00 34.13 H new ATOM 0 HB3 ALA A 125 -11.398 17.819 0.610 1.00 34.13 H new ATOM 2020 N THR A 126 -13.655 16.099 0.978 1.00 71.53 N ATOM 2021 CA THR A 126 -14.187 15.062 1.856 1.00 45.41 C ATOM 2022 C THR A 126 -15.456 14.454 1.256 1.00 61.13 C ATOM 2023 O THR A 126 -15.754 13.280 1.472 1.00 32.34 O ATOM 2024 CB THR A 126 -14.486 15.646 3.251 1.00 22.40 C ATOM 2025 OG1 THR A 126 -13.596 16.722 3.506 1.00 13.42 O ATOM 2026 CG2 THR A 126 -14.301 14.567 4.334 1.00 4.31 C ATOM 0 H THR A 126 -13.781 17.051 1.321 1.00 71.53 H new ATOM 0 HA THR A 126 -13.439 14.276 1.957 1.00 45.41 H new ATOM 0 HB THR A 126 -15.517 15.998 3.275 1.00 22.40 H new ATOM 0 HG1 THR A 126 -13.783 17.098 4.391 1.00 13.42 H new ATOM 0 HG21 THR A 126 -14.516 14.994 5.314 1.00 4.31 H new ATOM 0 HG22 THR A 126 -14.983 13.738 4.142 1.00 4.31 H new ATOM 0 HG23 THR A 126 -13.274 14.204 4.314 1.00 4.31 H new ATOM 2034 N ALA A 127 -16.221 15.272 0.536 1.00 15.42 N ATOM 2035 CA ALA A 127 -17.480 14.825 -0.058 1.00 52.14 C ATOM 2036 C ALA A 127 -17.294 13.959 -1.305 1.00 32.11 C ATOM 2037 O ALA A 127 -17.886 12.885 -1.404 1.00 52.32 O ATOM 2038 CB ALA A 127 -18.303 16.042 -0.434 1.00 34.42 C ATOM 0 H ALA A 127 -15.991 16.248 0.350 1.00 15.42 H new ATOM 0 HA ALA A 127 -17.980 14.209 0.689 1.00 52.14 H new ATOM 0 HB1 ALA A 127 -19.245 15.721 -0.878 1.00 34.42 H new ATOM 0 HB2 ALA A 127 -18.506 16.634 0.458 1.00 34.42 H new ATOM 0 HB3 ALA A 127 -17.750 16.647 -1.153 1.00 34.42 H new ATOM 2044 N ILE A 128 -16.467 14.406 -2.251 1.00 12.23 N ATOM 2045 CA ILE A 128 -16.239 13.618 -3.452 1.00 11.33 C ATOM 2046 C ILE A 128 -15.722 12.261 -3.015 1.00 64.23 C ATOM 2047 O ILE A 128 -16.092 11.212 -3.542 1.00 44.43 O ATOM 2048 CB ILE A 128 -15.236 14.355 -4.364 1.00 23.41 C ATOM 2049 CG1 ILE A 128 -15.531 14.034 -5.828 1.00 32.13 C ATOM 2050 CG2 ILE A 128 -13.783 13.968 -4.040 1.00 22.34 C ATOM 2051 CD1 ILE A 128 -15.515 12.518 -6.052 1.00 71.02 C ATOM 0 H ILE A 128 -15.957 15.288 -2.208 1.00 12.23 H new ATOM 0 HA ILE A 128 -17.155 13.481 -4.026 1.00 11.33 H new ATOM 0 HB ILE A 128 -15.352 15.424 -4.186 1.00 23.41 H new ATOM 0 HG12 ILE A 128 -16.503 14.440 -6.108 1.00 32.13 H new ATOM 0 HG13 ILE A 128 -14.790 14.511 -6.469 1.00 32.13 H new ATOM 0 HG21 ILE A 128 -13.106 14.507 -4.703 1.00 22.34 H new ATOM 0 HG22 ILE A 128 -13.560 14.227 -3.005 1.00 22.34 H new ATOM 0 HG23 ILE A 128 -13.652 12.895 -4.182 1.00 22.34 H new ATOM 0 HD11 ILE A 128 -15.727 12.303 -7.099 1.00 71.02 H new ATOM 0 HD12 ILE A 128 -14.533 12.122 -5.791 1.00 71.02 H new ATOM 0 HD13 ILE A 128 -16.273 12.050 -5.425 1.00 71.02 H new ATOM 2063 N PHE A 129 -14.868 12.332 -2.017 1.00 20.10 N ATOM 2064 CA PHE A 129 -14.265 11.156 -1.428 1.00 64.04 C ATOM 2065 C PHE A 129 -15.344 10.164 -1.002 1.00 52.22 C ATOM 2066 O PHE A 129 -15.215 8.960 -1.220 1.00 14.21 O ATOM 2067 CB PHE A 129 -13.448 11.586 -0.218 1.00 23.32 C ATOM 2068 CG PHE A 129 -12.651 10.418 0.325 1.00 23.21 C ATOM 2069 CD1 PHE A 129 -11.773 9.706 -0.508 1.00 24.04 C ATOM 2070 CD2 PHE A 129 -12.783 10.050 1.668 1.00 54.41 C ATOM 2071 CE1 PHE A 129 -11.035 8.634 0.006 1.00 43.23 C ATOM 2072 CE2 PHE A 129 -12.044 8.979 2.179 1.00 21.44 C ATOM 2073 CZ PHE A 129 -11.169 8.272 1.349 1.00 24.12 C ATOM 0 H PHE A 129 -14.571 13.210 -1.590 1.00 20.10 H new ATOM 0 HA PHE A 129 -13.621 10.668 -2.160 1.00 64.04 H new ATOM 0 HB2 PHE A 129 -12.774 12.396 -0.496 1.00 23.32 H new ATOM 0 HB3 PHE A 129 -14.110 11.974 0.556 1.00 23.32 H new ATOM 0 HD1 PHE A 129 -11.667 9.986 -1.546 1.00 24.04 H new ATOM 0 HD2 PHE A 129 -13.458 10.595 2.312 1.00 54.41 H new ATOM 0 HE1 PHE A 129 -10.361 8.086 -0.636 1.00 43.23 H new ATOM 0 HE2 PHE A 129 -12.149 8.697 3.216 1.00 21.44 H new ATOM 0 HZ PHE A 129 -10.597 7.446 1.746 1.00 24.12 H new ATOM 2083 N ARG A 130 -16.406 10.684 -0.392 1.00 63.11 N ATOM 2084 CA ARG A 130 -17.506 9.843 0.069 1.00 64.23 C ATOM 2085 C ARG A 130 -18.301 9.271 -1.105 1.00 1.41 C ATOM 2086 O ARG A 130 -18.739 8.122 -1.061 1.00 30.33 O ATOM 2087 CB ARG A 130 -18.441 10.655 0.971 1.00 42.52 C ATOM 2088 CG ARG A 130 -17.778 10.869 2.335 1.00 72.41 C ATOM 2089 CD ARG A 130 -18.652 11.788 3.189 1.00 4.30 C ATOM 2090 NE ARG A 130 -17.932 12.195 4.390 1.00 72.10 N ATOM 2091 CZ ARG A 130 -18.578 12.652 5.457 1.00 72.25 C ATOM 2092 NH1 ARG A 130 -19.880 12.741 5.443 1.00 33.33 N ATOM 2093 NH2 ARG A 130 -17.911 13.013 6.520 1.00 55.14 N ATOM 0 H ARG A 130 -16.528 11.680 -0.206 1.00 63.11 H new ATOM 0 HA ARG A 130 -17.079 9.012 0.631 1.00 64.23 H new ATOM 0 HB2 ARG A 130 -18.665 11.617 0.509 1.00 42.52 H new ATOM 0 HB3 ARG A 130 -19.389 10.132 1.094 1.00 42.52 H new ATOM 0 HG2 ARG A 130 -17.639 9.912 2.838 1.00 72.41 H new ATOM 0 HG3 ARG A 130 -16.789 11.308 2.205 1.00 72.41 H new ATOM 0 HD2 ARG A 130 -18.939 12.668 2.613 1.00 4.30 H new ATOM 0 HD3 ARG A 130 -19.572 11.273 3.465 1.00 4.30 H new ATOM 0 HE ARG A 130 -16.914 12.128 4.411 1.00 72.10 H new ATOM 0 HH11 ARG A 130 -20.402 12.460 4.613 1.00 33.33 H new ATOM 0 HH12 ARG A 130 -20.376 13.092 6.262 1.00 33.33 H new ATOM 0 HH21 ARG A 130 -16.893 12.944 6.531 1.00 55.14 H new ATOM 0 HH22 ARG A 130 -18.408 13.364 7.339 1.00 55.14 H new ATOM 2107 N LYS A 131 -18.503 10.078 -2.145 1.00 20.25 N ATOM 2108 CA LYS A 131 -19.267 9.626 -3.304 1.00 5.14 C ATOM 2109 C LYS A 131 -18.744 8.285 -3.805 1.00 2.24 C ATOM 2110 O LYS A 131 -19.482 7.302 -3.853 1.00 44.11 O ATOM 2111 CB LYS A 131 -19.178 10.660 -4.428 1.00 25.44 C ATOM 2112 CG LYS A 131 -19.885 11.947 -3.998 1.00 21.23 C ATOM 2113 CD LYS A 131 -19.892 12.939 -5.163 1.00 20.44 C ATOM 2114 CE LYS A 131 -20.410 14.294 -4.677 1.00 61.22 C ATOM 2115 NZ LYS A 131 -20.469 15.244 -5.824 1.00 32.24 N ATOM 0 H LYS A 131 -18.154 11.034 -2.209 1.00 20.25 H new ATOM 0 HA LYS A 131 -20.307 9.507 -3.001 1.00 5.14 H new ATOM 0 HB2 LYS A 131 -18.134 10.868 -4.663 1.00 25.44 H new ATOM 0 HB3 LYS A 131 -19.637 10.267 -5.335 1.00 25.44 H new ATOM 0 HG2 LYS A 131 -20.906 11.727 -3.688 1.00 21.23 H new ATOM 0 HG3 LYS A 131 -19.377 12.383 -3.138 1.00 21.23 H new ATOM 0 HD2 LYS A 131 -18.886 13.047 -5.569 1.00 20.44 H new ATOM 0 HD3 LYS A 131 -20.523 12.565 -5.969 1.00 20.44 H new ATOM 0 HE2 LYS A 131 -21.400 14.180 -4.235 1.00 61.22 H new ATOM 0 HE3 LYS A 131 -19.756 14.687 -3.899 1.00 61.22 H new ATOM 0 HZ1 LYS A 131 -20.821 16.165 -5.494 1.00 32.24 H new ATOM 0 HZ2 LYS A 131 -19.517 15.361 -6.227 1.00 32.24 H new ATOM 0 HZ3 LYS A 131 -21.110 14.869 -6.552 1.00 32.24 H new ATOM 2129 N LEU A 132 -17.468 8.244 -4.170 1.00 54.13 N ATOM 2130 CA LEU A 132 -16.872 7.006 -4.653 1.00 11.42 C ATOM 2131 C LEU A 132 -16.924 5.948 -3.560 1.00 42.24 C ATOM 2132 O LEU A 132 -17.327 4.804 -3.795 1.00 74.41 O ATOM 2133 CB LEU A 132 -15.419 7.247 -5.070 1.00 63.54 C ATOM 2134 CG LEU A 132 -15.327 8.525 -5.909 1.00 70.23 C ATOM 2135 CD1 LEU A 132 -13.914 8.659 -6.480 1.00 55.02 C ATOM 2136 CD2 LEU A 132 -16.337 8.462 -7.060 1.00 71.22 C ATOM 0 H LEU A 132 -16.834 9.043 -4.141 1.00 54.13 H new ATOM 0 HA LEU A 132 -17.435 6.658 -5.519 1.00 11.42 H new ATOM 0 HB2 LEU A 132 -14.787 7.334 -4.186 1.00 63.54 H new ATOM 0 HB3 LEU A 132 -15.049 6.397 -5.643 1.00 63.54 H new ATOM 0 HG LEU A 132 -15.550 9.386 -5.279 1.00 70.23 H new ATOM 0 HD11 LEU A 132 -13.848 9.568 -7.077 1.00 55.02 H new ATOM 0 HD12 LEU A 132 -13.194 8.708 -5.663 1.00 55.02 H new ATOM 0 HD13 LEU A 132 -13.692 7.796 -7.107 1.00 55.02 H new ATOM 0 HD21 LEU A 132 -16.268 9.373 -7.655 1.00 71.22 H new ATOM 0 HD22 LEU A 132 -16.117 7.600 -7.690 1.00 71.22 H new ATOM 0 HD23 LEU A 132 -17.345 8.368 -6.655 1.00 71.22 H new ATOM 2148 N ALA A 133 -16.528 6.340 -2.355 1.00 43.34 N ATOM 2149 CA ALA A 133 -16.547 5.419 -1.233 1.00 74.12 C ATOM 2150 C ALA A 133 -17.937 4.809 -1.090 1.00 44.24 C ATOM 2151 O ALA A 133 -18.076 3.641 -0.726 1.00 4.35 O ATOM 2152 CB ALA A 133 -16.161 6.143 0.056 1.00 75.44 C ATOM 0 H ALA A 133 -16.194 7.278 -2.134 1.00 43.34 H new ATOM 0 HA ALA A 133 -15.823 4.625 -1.417 1.00 74.12 H new ATOM 0 HB1 ALA A 133 -16.180 5.439 0.888 1.00 75.44 H new ATOM 0 HB2 ALA A 133 -15.158 6.558 -0.046 1.00 75.44 H new ATOM 0 HB3 ALA A 133 -16.869 6.949 0.247 1.00 75.44 H new ATOM 2158 N GLY A 134 -18.967 5.598 -1.400 1.00 22.24 N ATOM 2159 CA GLY A 134 -20.337 5.111 -1.322 1.00 3.24 C ATOM 2160 C GLY A 134 -20.554 4.021 -2.354 1.00 43.14 C ATOM 2161 O GLY A 134 -21.220 3.018 -2.093 1.00 43.50 O ATOM 0 H GLY A 134 -18.876 6.567 -1.704 1.00 22.24 H new ATOM 0 HA2 GLY A 134 -20.539 4.724 -0.323 1.00 3.24 H new ATOM 0 HA3 GLY A 134 -21.034 5.931 -1.493 1.00 3.24 H new ATOM 2165 N GLU A 135 -19.968 4.222 -3.528 1.00 22.13 N ATOM 2166 CA GLU A 135 -20.080 3.249 -4.600 1.00 13.44 C ATOM 2167 C GLU A 135 -19.434 1.939 -4.171 1.00 74.23 C ATOM 2168 O GLU A 135 -19.674 0.892 -4.772 1.00 52.13 O ATOM 2169 CB GLU A 135 -19.393 3.779 -5.862 1.00 74.13 C ATOM 2170 CG GLU A 135 -19.769 2.902 -7.059 1.00 62.43 C ATOM 2171 CD GLU A 135 -19.105 3.435 -8.323 1.00 15.20 C ATOM 2172 OE1 GLU A 135 -18.386 4.415 -8.223 1.00 23.12 O ATOM 2173 OE2 GLU A 135 -19.326 2.856 -9.374 1.00 34.54 O ATOM 0 H GLU A 135 -19.414 5.047 -3.758 1.00 22.13 H new ATOM 0 HA GLU A 135 -21.134 3.076 -4.818 1.00 13.44 H new ATOM 0 HB2 GLU A 135 -19.693 4.811 -6.046 1.00 74.13 H new ATOM 0 HB3 GLU A 135 -18.312 3.781 -5.726 1.00 74.13 H new ATOM 0 HG2 GLU A 135 -19.456 1.873 -6.880 1.00 62.43 H new ATOM 0 HG3 GLU A 135 -20.852 2.888 -7.185 1.00 62.43 H new ATOM 2180 N ARG A 136 -18.617 2.001 -3.117 1.00 64.24 N ATOM 2181 CA ARG A 136 -17.945 0.809 -2.602 1.00 71.45 C ATOM 2182 C ARG A 136 -18.630 0.302 -1.332 1.00 72.55 C ATOM 2183 O ARG A 136 -18.079 -0.537 -0.619 1.00 43.12 O ATOM 2184 CB ARG A 136 -16.481 1.130 -2.291 1.00 61.14 C ATOM 2185 CG ARG A 136 -15.733 1.416 -3.594 1.00 23.23 C ATOM 2186 CD ARG A 136 -14.323 1.919 -3.276 1.00 22.12 C ATOM 2187 NE ARG A 136 -13.582 0.911 -2.521 1.00 75.22 N ATOM 2188 CZ ARG A 136 -13.578 0.904 -1.189 1.00 31.41 C ATOM 2189 NH1 ARG A 136 -14.256 1.799 -0.524 1.00 61.52 N ATOM 2190 NH2 ARG A 136 -12.896 -0.005 -0.546 1.00 33.01 N ATOM 0 H ARG A 136 -18.407 2.859 -2.607 1.00 64.24 H new ATOM 0 HA ARG A 136 -18.000 0.032 -3.365 1.00 71.45 H new ATOM 0 HB2 ARG A 136 -16.420 1.993 -1.627 1.00 61.14 H new ATOM 0 HB3 ARG A 136 -16.017 0.293 -1.769 1.00 61.14 H new ATOM 0 HG2 ARG A 136 -15.679 0.512 -4.200 1.00 23.23 H new ATOM 0 HG3 ARG A 136 -16.273 2.161 -4.179 1.00 23.23 H new ATOM 0 HD2 ARG A 136 -13.795 2.151 -4.201 1.00 22.12 H new ATOM 0 HD3 ARG A 136 -14.381 2.844 -2.702 1.00 22.12 H new ATOM 0 HE ARG A 136 -13.056 0.197 -3.025 1.00 75.22 H new ATOM 0 HH11 ARG A 136 -14.792 2.508 -1.024 1.00 61.52 H new ATOM 0 HH12 ARG A 136 -14.250 1.789 0.496 1.00 61.52 H new ATOM 0 HH21 ARG A 136 -12.368 -0.708 -1.064 1.00 33.01 H new ATOM 0 HH22 ARG A 136 -12.891 -0.013 0.474 1.00 33.01 H new ATOM 2204 N ASN A 137 -19.833 0.809 -1.057 1.00 3.34 N ATOM 2205 CA ASN A 137 -20.583 0.388 0.126 1.00 50.42 C ATOM 2206 C ASN A 137 -19.765 0.586 1.398 1.00 33.51 C ATOM 2207 O ASN A 137 -19.815 -0.229 2.319 1.00 21.54 O ATOM 2208 CB ASN A 137 -20.924 -1.080 -0.002 1.00 13.44 C ATOM 2209 CG ASN A 137 -21.681 -1.335 -1.301 1.00 21.32 C ATOM 2210 OD1 ASN A 137 -22.346 -0.362 -1.860 1.00 50.41 O flip ATOM 2211 ND2 ASN A 137 -21.665 -2.451 -1.821 1.00 61.02 N flip ATOM 0 H ASN A 137 -20.305 1.506 -1.633 1.00 3.34 H new ATOM 0 HA ASN A 137 -21.486 0.994 0.191 1.00 50.42 H new ATOM 0 HB2 ASN A 137 -20.011 -1.676 0.018 1.00 13.44 H new ATOM 0 HB3 ASN A 137 -21.529 -1.395 0.848 1.00 13.44 H new ATOM 0 HD21 ASN A 137 -21.144 -3.211 -1.382 1.00 61.02 H new ATOM 0 HD22 ASN A 137 -22.172 -2.616 -2.690 1.00 61.02 H new ATOM 2218 N TYR A 138 -19.021 1.670 1.432 1.00 34.52 N ATOM 2219 CA TYR A 138 -18.184 1.994 2.587 1.00 71.23 C ATOM 2220 C TYR A 138 -19.025 2.417 3.797 1.00 31.11 C ATOM 2221 O TYR A 138 -20.123 2.955 3.655 1.00 63.53 O ATOM 2222 CB TYR A 138 -17.213 3.127 2.214 1.00 5.32 C ATOM 2223 CG TYR A 138 -17.896 4.480 2.335 1.00 21.44 C ATOM 2224 CD1 TYR A 138 -19.230 4.642 1.937 1.00 43.42 C ATOM 2225 CD2 TYR A 138 -17.188 5.572 2.847 1.00 41.32 C ATOM 2226 CE1 TYR A 138 -19.852 5.890 2.052 1.00 54.40 C ATOM 2227 CE2 TYR A 138 -17.810 6.822 2.962 1.00 45.41 C ATOM 2228 CZ TYR A 138 -19.141 6.981 2.565 1.00 62.20 C ATOM 2229 OH TYR A 138 -19.754 8.211 2.678 1.00 40.12 O ATOM 0 H TYR A 138 -18.973 2.350 0.674 1.00 34.52 H new ATOM 0 HA TYR A 138 -17.629 1.097 2.862 1.00 71.23 H new ATOM 0 HB2 TYR A 138 -16.340 3.095 2.866 1.00 5.32 H new ATOM 0 HB3 TYR A 138 -16.854 2.985 1.195 1.00 5.32 H new ATOM 0 HD1 TYR A 138 -19.779 3.801 1.540 1.00 43.42 H new ATOM 0 HD2 TYR A 138 -16.160 5.451 3.154 1.00 41.32 H new ATOM 0 HE1 TYR A 138 -20.880 6.011 1.745 1.00 54.40 H new ATOM 0 HE2 TYR A 138 -17.261 7.664 3.358 1.00 45.41 H new ATOM 0 HH TYR A 138 -19.366 8.702 3.432 1.00 40.12 H new ATOM 2239 N THR A 139 -18.481 2.188 4.993 1.00 11.21 N ATOM 2240 CA THR A 139 -19.159 2.575 6.233 1.00 3.42 C ATOM 2241 C THR A 139 -18.255 3.516 7.028 1.00 30.54 C ATOM 2242 O THR A 139 -17.037 3.488 6.873 1.00 72.01 O ATOM 2243 CB THR A 139 -19.471 1.332 7.074 1.00 42.45 C ATOM 2244 OG1 THR A 139 -18.371 1.054 7.930 1.00 64.53 O ATOM 2245 CG2 THR A 139 -19.714 0.135 6.152 1.00 10.25 C ATOM 0 H THR A 139 -17.576 1.738 5.130 1.00 11.21 H new ATOM 0 HA THR A 139 -20.094 3.079 5.988 1.00 3.42 H new ATOM 0 HB THR A 139 -20.364 1.514 7.672 1.00 42.45 H new ATOM 0 HG1 THR A 139 -18.569 0.260 8.470 1.00 64.53 H new ATOM 0 HG21 THR A 139 -19.936 -0.747 6.752 1.00 10.25 H new ATOM 0 HG22 THR A 139 -20.557 0.348 5.494 1.00 10.25 H new ATOM 0 HG23 THR A 139 -18.823 -0.049 5.552 1.00 10.25 H new ATOM 2253 N ASP A 140 -18.841 4.384 7.842 1.00 64.41 N ATOM 2254 CA ASP A 140 -18.029 5.342 8.588 1.00 12.20 C ATOM 2255 C ASP A 140 -16.799 4.669 9.197 1.00 73.25 C ATOM 2256 O ASP A 140 -15.677 5.118 8.977 1.00 10.33 O ATOM 2257 CB ASP A 140 -18.866 5.977 9.700 1.00 22.52 C ATOM 2258 CG ASP A 140 -18.113 7.154 10.312 1.00 50.22 C ATOM 2259 OD1 ASP A 140 -16.931 7.283 10.036 1.00 73.21 O ATOM 2260 OD2 ASP A 140 -18.729 7.908 11.047 1.00 54.33 O ATOM 0 H ASP A 140 -19.846 4.447 8.002 1.00 64.41 H new ATOM 0 HA ASP A 140 -17.692 6.112 7.894 1.00 12.20 H new ATOM 0 HB2 ASP A 140 -19.822 6.315 9.299 1.00 22.52 H new ATOM 0 HB3 ASP A 140 -19.086 5.236 10.469 1.00 22.52 H new ATOM 2265 N GLU A 141 -16.998 3.608 9.972 1.00 54.32 N ATOM 2266 CA GLU A 141 -15.875 2.922 10.605 1.00 62.02 C ATOM 2267 C GLU A 141 -14.880 2.382 9.576 1.00 43.11 C ATOM 2268 O GLU A 141 -13.712 2.164 9.893 1.00 42.22 O ATOM 2269 CB GLU A 141 -16.393 1.766 11.463 1.00 42.10 C ATOM 2270 CG GLU A 141 -17.278 2.317 12.581 1.00 63.25 C ATOM 2271 CD GLU A 141 -17.755 1.178 13.477 1.00 35.14 C ATOM 2272 OE1 GLU A 141 -17.540 0.035 13.113 1.00 12.21 O ATOM 2273 OE2 GLU A 141 -18.329 1.468 14.515 1.00 62.23 O ATOM 0 H GLU A 141 -17.914 3.208 10.176 1.00 54.32 H new ATOM 0 HA GLU A 141 -15.354 3.650 11.227 1.00 62.02 H new ATOM 0 HB2 GLU A 141 -16.960 1.068 10.847 1.00 42.10 H new ATOM 0 HB3 GLU A 141 -15.556 1.211 11.887 1.00 42.10 H new ATOM 0 HG2 GLU A 141 -16.722 3.046 13.170 1.00 63.25 H new ATOM 0 HG3 GLU A 141 -18.135 2.839 12.154 1.00 63.25 H new ATOM 2280 N MET A 142 -15.343 2.166 8.349 1.00 13.13 N ATOM 2281 CA MET A 142 -14.473 1.646 7.295 1.00 2.03 C ATOM 2282 C MET A 142 -13.592 2.752 6.724 1.00 44.23 C ATOM 2283 O MET A 142 -12.549 2.489 6.129 1.00 11.51 O ATOM 2284 CB MET A 142 -15.326 1.029 6.180 1.00 63.42 C ATOM 2285 CG MET A 142 -14.466 0.755 4.937 1.00 20.11 C ATOM 2286 SD MET A 142 -15.095 -0.705 4.071 1.00 32.02 S ATOM 2287 CE MET A 142 -14.731 -1.919 5.364 1.00 54.35 C ATOM 0 H MET A 142 -16.305 2.340 8.060 1.00 13.13 H new ATOM 0 HA MET A 142 -13.826 0.881 7.724 1.00 2.03 H new ATOM 0 HB2 MET A 142 -15.777 0.100 6.530 1.00 63.42 H new ATOM 0 HB3 MET A 142 -16.143 1.703 5.923 1.00 63.42 H new ATOM 0 HG2 MET A 142 -14.483 1.619 4.273 1.00 20.11 H new ATOM 0 HG3 MET A 142 -13.428 0.598 5.229 1.00 20.11 H new ATOM 0 HE1 MET A 142 -14.242 -2.787 4.921 1.00 54.35 H new ATOM 0 HE2 MET A 142 -14.072 -1.472 6.108 1.00 54.35 H new ATOM 0 HE3 MET A 142 -15.660 -2.231 5.842 1.00 54.35 H new ATOM 2297 N VAL A 143 -14.026 3.989 6.907 1.00 13.55 N ATOM 2298 CA VAL A 143 -13.285 5.147 6.403 1.00 41.44 C ATOM 2299 C VAL A 143 -13.072 6.171 7.517 1.00 52.04 C ATOM 2300 O VAL A 143 -14.023 6.545 8.202 1.00 64.33 O ATOM 2301 CB VAL A 143 -14.081 5.776 5.260 1.00 14.41 C ATOM 2302 CG1 VAL A 143 -15.294 6.519 5.829 1.00 31.43 C ATOM 2303 CG2 VAL A 143 -13.198 6.753 4.488 1.00 31.14 C ATOM 0 H VAL A 143 -14.888 4.223 7.400 1.00 13.55 H new ATOM 0 HA VAL A 143 -12.307 4.826 6.044 1.00 41.44 H new ATOM 0 HB VAL A 143 -14.420 4.990 4.584 1.00 14.41 H new ATOM 0 HG11 VAL A 143 -15.861 6.967 5.013 1.00 31.43 H new ATOM 0 HG12 VAL A 143 -15.929 5.818 6.370 1.00 31.43 H new ATOM 0 HG13 VAL A 143 -14.956 7.301 6.509 1.00 31.43 H new ATOM 0 HG21 VAL A 143 -13.772 7.198 3.675 1.00 31.14 H new ATOM 0 HG22 VAL A 143 -12.851 7.539 5.159 1.00 31.14 H new ATOM 0 HG23 VAL A 143 -12.339 6.221 4.078 1.00 31.14 H new ATOM 2313 N ALA A 144 -11.825 6.606 7.719 1.00 72.15 N ATOM 2314 CA ALA A 144 -11.540 7.571 8.796 1.00 14.32 C ATOM 2315 C ALA A 144 -10.773 8.810 8.317 1.00 35.44 C ATOM 2316 O ALA A 144 -9.693 8.703 7.735 1.00 32.23 O ATOM 2317 CB ALA A 144 -10.728 6.880 9.892 1.00 41.21 C ATOM 0 H ALA A 144 -11.014 6.318 7.171 1.00 72.15 H new ATOM 0 HA ALA A 144 -12.504 7.915 9.171 1.00 14.32 H new ATOM 0 HB1 ALA A 144 -10.515 7.591 10.690 1.00 41.21 H new ATOM 0 HB2 ALA A 144 -11.298 6.043 10.294 1.00 41.21 H new ATOM 0 HB3 ALA A 144 -9.791 6.513 9.474 1.00 41.21 H new ATOM 2323 N MET A 145 -11.338 9.988 8.607 1.00 51.40 N ATOM 2324 CA MET A 145 -10.715 11.261 8.253 1.00 50.21 C ATOM 2325 C MET A 145 -9.685 11.649 9.315 1.00 75.31 C ATOM 2326 O MET A 145 -9.843 11.314 10.489 1.00 70.10 O ATOM 2327 CB MET A 145 -11.781 12.360 8.176 1.00 51.22 C ATOM 2328 CG MET A 145 -12.516 12.275 6.843 1.00 64.22 C ATOM 2329 SD MET A 145 -11.393 12.773 5.517 1.00 24.31 S ATOM 2330 CE MET A 145 -12.126 11.753 4.220 1.00 74.21 C ATOM 0 H MET A 145 -12.232 10.082 9.089 1.00 51.40 H new ATOM 0 HA MET A 145 -10.225 11.153 7.285 1.00 50.21 H new ATOM 0 HB2 MET A 145 -12.488 12.252 8.999 1.00 51.22 H new ATOM 0 HB3 MET A 145 -11.315 13.339 8.283 1.00 51.22 H new ATOM 0 HG2 MET A 145 -12.871 11.259 6.673 1.00 64.22 H new ATOM 0 HG3 MET A 145 -13.394 12.921 6.855 1.00 64.22 H new ATOM 0 HE1 MET A 145 -11.528 11.834 3.312 1.00 74.21 H new ATOM 0 HE2 MET A 145 -12.152 10.713 4.546 1.00 74.21 H new ATOM 0 HE3 MET A 145 -13.141 12.096 4.018 1.00 74.21 H new ATOM 2340 N LEU A 146 -8.644 12.373 8.901 1.00 41.21 N ATOM 2341 CA LEU A 146 -7.605 12.821 9.844 1.00 72.34 C ATOM 2342 C LEU A 146 -7.597 14.357 9.932 1.00 1.24 C ATOM 2343 O LEU A 146 -7.675 15.034 8.907 1.00 73.40 O ATOM 2344 CB LEU A 146 -6.220 12.342 9.393 1.00 10.20 C ATOM 2345 CG LEU A 146 -6.205 10.804 9.240 1.00 21.43 C ATOM 2346 CD1 LEU A 146 -5.097 10.365 8.255 1.00 62.15 C ATOM 2347 CD2 LEU A 146 -5.951 10.156 10.607 1.00 1.24 C ATOM 0 H LEU A 146 -8.494 12.661 7.934 1.00 41.21 H new ATOM 0 HA LEU A 146 -7.831 12.395 10.822 1.00 72.34 H new ATOM 0 HB2 LEU A 146 -5.957 12.811 8.445 1.00 10.20 H new ATOM 0 HB3 LEU A 146 -5.468 12.649 10.120 1.00 10.20 H new ATOM 0 HG LEU A 146 -7.171 10.484 8.849 1.00 21.43 H new ATOM 0 HD11 LEU A 146 -5.103 9.279 8.161 1.00 62.15 H new ATOM 0 HD12 LEU A 146 -5.279 10.815 7.279 1.00 62.15 H new ATOM 0 HD13 LEU A 146 -4.127 10.691 8.630 1.00 62.15 H new ATOM 0 HD21 LEU A 146 -5.940 9.071 10.499 1.00 1.24 H new ATOM 0 HD22 LEU A 146 -4.989 10.491 10.996 1.00 1.24 H new ATOM 0 HD23 LEU A 146 -6.742 10.444 11.299 1.00 1.24 H new ATOM 2359 N PRO A 147 -7.505 14.922 11.120 1.00 61.04 N ATOM 2360 CA PRO A 147 -7.489 16.409 11.304 1.00 71.15 C ATOM 2361 C PRO A 147 -6.148 17.044 10.919 1.00 54.51 C ATOM 2362 O PRO A 147 -5.137 16.354 10.781 1.00 73.42 O ATOM 2363 CB PRO A 147 -7.767 16.580 12.800 1.00 45.23 C ATOM 2364 CG PRO A 147 -7.200 15.352 13.430 1.00 4.21 C ATOM 2365 CD PRO A 147 -7.410 14.223 12.418 1.00 51.13 C ATOM 0 HA PRO A 147 -8.216 16.906 10.662 1.00 71.15 H new ATOM 0 HB2 PRO A 147 -7.294 17.481 13.191 1.00 45.23 H new ATOM 0 HB3 PRO A 147 -8.835 16.670 12.997 1.00 45.23 H new ATOM 0 HG2 PRO A 147 -6.141 15.482 13.655 1.00 4.21 H new ATOM 0 HG3 PRO A 147 -7.701 15.130 14.372 1.00 4.21 H new ATOM 0 HD2 PRO A 147 -6.581 13.516 12.431 1.00 51.13 H new ATOM 0 HD3 PRO A 147 -8.316 13.656 12.634 1.00 51.13 H new ATOM 2373 N ARG A 148 -6.160 18.366 10.745 1.00 0.13 N ATOM 2374 CA ARG A 148 -4.957 19.111 10.369 1.00 14.33 C ATOM 2375 C ARG A 148 -3.840 18.931 11.394 1.00 12.42 C ATOM 2376 O ARG A 148 -2.693 19.298 11.142 1.00 21.44 O ATOM 2377 CB ARG A 148 -5.293 20.599 10.245 1.00 73.03 C ATOM 2378 CG ARG A 148 -5.717 21.144 11.611 1.00 23.30 C ATOM 2379 CD ARG A 148 -6.402 22.499 11.430 1.00 11.41 C ATOM 2380 NE ARG A 148 -5.628 23.341 10.525 1.00 52.11 N ATOM 2381 CZ ARG A 148 -4.579 24.034 10.958 1.00 5.31 C ATOM 2382 NH1 ARG A 148 -4.225 23.967 12.212 1.00 2.34 N ATOM 2383 NH2 ARG A 148 -3.903 24.781 10.129 1.00 32.22 N ATOM 0 H ARG A 148 -6.992 18.945 10.859 1.00 0.13 H new ATOM 0 HA ARG A 148 -4.608 18.721 9.413 1.00 14.33 H new ATOM 0 HB2 ARG A 148 -4.427 21.148 9.876 1.00 73.03 H new ATOM 0 HB3 ARG A 148 -6.094 20.742 9.520 1.00 73.03 H new ATOM 0 HG2 ARG A 148 -6.395 20.444 12.099 1.00 23.30 H new ATOM 0 HG3 ARG A 148 -4.847 21.248 12.259 1.00 23.30 H new ATOM 0 HD2 ARG A 148 -7.407 22.356 11.034 1.00 11.41 H new ATOM 0 HD3 ARG A 148 -6.507 22.993 12.396 1.00 11.41 H new ATOM 0 HE ARG A 148 -5.896 23.399 9.543 1.00 52.11 H new ATOM 0 HH11 ARG A 148 -4.753 23.383 12.860 1.00 2.34 H new ATOM 0 HH12 ARG A 148 -3.420 24.499 12.544 1.00 2.34 H new ATOM 0 HH21 ARG A 148 -4.179 24.834 9.149 1.00 32.22 H new ATOM 0 HH22 ARG A 148 -3.098 25.313 10.461 1.00 32.22 H new ATOM 2397 N GLN A 149 -4.176 18.372 12.551 1.00 62.24 N ATOM 2398 CA GLN A 149 -3.182 18.163 13.598 1.00 72.22 C ATOM 2399 C GLN A 149 -1.958 17.441 13.039 1.00 30.32 C ATOM 2400 O GLN A 149 -2.084 16.443 12.333 1.00 51.33 O ATOM 2401 CB GLN A 149 -3.787 17.346 14.740 1.00 43.22 C ATOM 2402 CG GLN A 149 -4.995 18.089 15.314 1.00 65.22 C ATOM 2403 CD GLN A 149 -4.529 19.279 16.145 1.00 74.22 C ATOM 2404 OE1 GLN A 149 -3.576 19.164 16.916 1.00 70.23 O ATOM 2405 NE2 GLN A 149 -5.148 20.423 16.034 1.00 53.41 N ATOM 0 H GLN A 149 -5.118 18.058 12.787 1.00 62.24 H new ATOM 0 HA GLN A 149 -2.871 19.136 13.978 1.00 72.22 H new ATOM 0 HB2 GLN A 149 -4.089 16.363 14.378 1.00 43.22 H new ATOM 0 HB3 GLN A 149 -3.042 17.183 15.519 1.00 43.22 H new ATOM 0 HG2 GLN A 149 -5.640 18.431 14.505 1.00 65.22 H new ATOM 0 HG3 GLN A 149 -5.588 17.414 15.931 1.00 65.22 H new ATOM 0 HE21 GLN A 149 -5.937 20.516 15.395 1.00 53.41 H new ATOM 0 HE22 GLN A 149 -4.842 21.224 16.587 1.00 53.41 H new ATOM 2414 N GLU A 150 -0.774 17.965 13.347 1.00 42.23 N ATOM 2415 CA GLU A 150 0.473 17.373 12.863 1.00 21.23 C ATOM 2416 C GLU A 150 1.501 17.278 13.984 1.00 62.23 C ATOM 2417 O GLU A 150 1.604 18.172 14.824 1.00 71.24 O ATOM 2418 CB GLU A 150 1.041 18.228 11.727 1.00 71.11 C ATOM 2419 CG GLU A 150 1.404 19.613 12.263 1.00 1.21 C ATOM 2420 CD GLU A 150 1.737 20.548 11.104 1.00 52.05 C ATOM 2421 OE1 GLU A 150 1.742 20.084 9.977 1.00 21.00 O ATOM 2422 OE2 GLU A 150 1.983 21.715 11.363 1.00 55.32 O ATOM 0 H GLU A 150 -0.651 18.795 13.927 1.00 42.23 H new ATOM 0 HA GLU A 150 0.258 16.368 12.501 1.00 21.23 H new ATOM 0 HB2 GLU A 150 1.923 17.748 11.303 1.00 71.11 H new ATOM 0 HB3 GLU A 150 0.309 18.317 10.924 1.00 71.11 H new ATOM 0 HG2 GLU A 150 0.573 20.018 12.841 1.00 1.21 H new ATOM 0 HG3 GLU A 150 2.256 19.539 12.938 1.00 1.21 H new ATOM 2429 N GLU A 151 2.286 16.202 13.969 1.00 74.43 N ATOM 2430 CA GLU A 151 3.336 16.004 14.960 1.00 45.11 C ATOM 2431 C GLU A 151 4.671 16.037 14.237 1.00 63.01 C ATOM 2432 O GLU A 151 5.378 17.043 14.259 1.00 2.22 O ATOM 2433 CB GLU A 151 3.154 14.660 15.671 1.00 75.41 C ATOM 2434 CG GLU A 151 1.724 14.556 16.204 1.00 44.43 C ATOM 2435 CD GLU A 151 1.496 15.600 17.292 1.00 42.42 C ATOM 2436 OE1 GLU A 151 2.474 16.129 17.793 1.00 43.23 O ATOM 2437 OE2 GLU A 151 0.345 15.856 17.608 1.00 72.33 O ATOM 0 H GLU A 151 2.212 15.454 13.279 1.00 74.43 H new ATOM 0 HA GLU A 151 3.293 16.789 15.715 1.00 45.11 H new ATOM 0 HB2 GLU A 151 3.357 13.841 14.981 1.00 75.41 H new ATOM 0 HB3 GLU A 151 3.867 14.570 16.491 1.00 75.41 H new ATOM 0 HG2 GLU A 151 1.013 14.704 15.392 1.00 44.43 H new ATOM 0 HG3 GLU A 151 1.548 13.557 16.604 1.00 44.43 H new ATOM 2444 N CYS A 152 5.000 14.931 13.580 1.00 71.14 N ATOM 2445 CA CYS A 152 6.236 14.834 12.828 1.00 3.32 C ATOM 2446 C CYS A 152 5.977 15.266 11.389 1.00 71.52 C ATOM 2447 O CYS A 152 4.831 15.341 10.947 1.00 54.34 O ATOM 2448 CB CYS A 152 6.743 13.385 12.861 1.00 30.35 C ATOM 2449 SG CYS A 152 8.303 13.290 13.779 1.00 21.52 S ATOM 0 H CYS A 152 4.424 14.090 13.556 1.00 71.14 H new ATOM 0 HA CYS A 152 6.993 15.483 13.269 1.00 3.32 H new ATOM 0 HB2 CYS A 152 5.998 12.742 13.328 1.00 30.35 H new ATOM 0 HB3 CYS A 152 6.888 13.019 11.844 1.00 30.35 H new ATOM 2454 N THR A 153 7.047 15.557 10.673 1.00 33.31 N ATOM 2455 CA THR A 153 6.937 15.994 9.282 1.00 75.00 C ATOM 2456 C THR A 153 8.214 15.660 8.514 1.00 5.21 C ATOM 2457 O THR A 153 9.258 15.404 9.112 1.00 61.12 O ATOM 2458 CB THR A 153 6.669 17.502 9.228 1.00 64.34 C ATOM 2459 OG1 THR A 153 7.665 18.184 9.978 1.00 31.32 O ATOM 2460 CG2 THR A 153 5.285 17.805 9.817 1.00 63.01 C ATOM 0 H THR A 153 8.003 15.501 11.025 1.00 33.31 H new ATOM 0 HA THR A 153 6.105 15.467 8.815 1.00 75.00 H new ATOM 0 HB THR A 153 6.698 17.838 8.191 1.00 64.34 H new ATOM 0 HG1 THR A 153 7.497 19.149 9.944 1.00 31.32 H new ATOM 0 HG21 THR A 153 5.099 18.878 9.776 1.00 63.01 H new ATOM 0 HG22 THR A 153 4.522 17.283 9.240 1.00 63.01 H new ATOM 0 HG23 THR A 153 5.249 17.470 10.854 1.00 63.01 H new ATOM 2468 N VAL A 154 8.124 15.667 7.186 1.00 75.41 N ATOM 2469 CA VAL A 154 9.265 15.370 6.352 1.00 73.31 C ATOM 2470 C VAL A 154 10.287 16.489 6.442 1.00 20.13 C ATOM 2471 O VAL A 154 9.970 17.612 6.836 1.00 73.12 O ATOM 2472 CB VAL A 154 8.817 15.218 4.901 1.00 53.32 C ATOM 2473 CG1 VAL A 154 7.960 13.959 4.747 1.00 60.11 C ATOM 2474 CG2 VAL A 154 8.000 16.447 4.491 1.00 73.12 C ATOM 0 H VAL A 154 7.268 15.876 6.673 1.00 75.41 H new ATOM 0 HA VAL A 154 9.717 14.441 6.698 1.00 73.31 H new ATOM 0 HB VAL A 154 9.695 15.131 4.261 1.00 53.32 H new ATOM 0 HG11 VAL A 154 7.645 13.858 3.708 1.00 60.11 H new ATOM 0 HG12 VAL A 154 8.543 13.084 5.036 1.00 60.11 H new ATOM 0 HG13 VAL A 154 7.081 14.037 5.387 1.00 60.11 H new ATOM 0 HG21 VAL A 154 7.679 16.341 3.455 1.00 73.12 H new ATOM 0 HG22 VAL A 154 7.125 16.534 5.135 1.00 73.12 H new ATOM 0 HG23 VAL A 154 8.614 17.342 4.591 1.00 73.12 H new ATOM 2484 N ASP A 155 11.509 16.170 6.067 1.00 44.51 N ATOM 2485 CA ASP A 155 12.592 17.147 6.093 1.00 60.43 C ATOM 2486 C ASP A 155 12.533 18.028 4.847 1.00 52.41 C ATOM 2487 O ASP A 155 12.354 17.536 3.733 1.00 44.23 O ATOM 2488 CB ASP A 155 13.961 16.439 6.178 1.00 13.14 C ATOM 2489 CG ASP A 155 13.775 14.926 6.265 1.00 73.11 C ATOM 2490 OD1 ASP A 155 12.956 14.494 7.060 1.00 25.24 O ATOM 2491 OD2 ASP A 155 14.454 14.222 5.536 1.00 2.12 O ATOM 0 H ASP A 155 11.783 15.243 5.740 1.00 44.51 H new ATOM 0 HA ASP A 155 12.472 17.773 6.977 1.00 60.43 H new ATOM 0 HB2 ASP A 155 14.561 16.688 5.303 1.00 13.14 H new ATOM 0 HB3 ASP A 155 14.508 16.795 7.051 1.00 13.14 H new ATOM 2496 N GLU A 156 12.684 19.329 5.050 1.00 11.22 N ATOM 2497 CA GLU A 156 12.648 20.277 3.950 1.00 33.33 C ATOM 2498 C GLU A 156 13.794 20.018 2.977 1.00 45.13 C ATOM 2499 O GLU A 156 13.705 20.347 1.795 1.00 43.22 O ATOM 2500 CB GLU A 156 12.753 21.696 4.506 1.00 51.45 C ATOM 2501 CG GLU A 156 11.440 22.074 5.194 1.00 73.13 C ATOM 2502 CD GLU A 156 11.499 23.522 5.671 1.00 34.21 C ATOM 2503 OE1 GLU A 156 12.570 24.101 5.610 1.00 3.15 O ATOM 2504 OE2 GLU A 156 10.472 24.028 6.091 1.00 35.50 O ATOM 0 H GLU A 156 12.833 19.750 5.967 1.00 11.22 H new ATOM 0 HA GLU A 156 11.708 20.158 3.412 1.00 33.33 H new ATOM 0 HB2 GLU A 156 13.579 21.760 5.215 1.00 51.45 H new ATOM 0 HB3 GLU A 156 12.969 22.398 3.701 1.00 51.45 H new ATOM 0 HG2 GLU A 156 10.607 21.944 4.503 1.00 73.13 H new ATOM 0 HG3 GLU A 156 11.259 21.411 6.040 1.00 73.13 H new ATOM 2511 N VAL A 157 14.873 19.428 3.485 1.00 74.02 N ATOM 2512 CA VAL A 157 16.033 19.130 2.652 1.00 31.04 C ATOM 2513 C VAL A 157 15.599 18.525 1.321 1.00 42.05 C ATOM 2514 O VAL A 157 16.206 18.855 0.315 1.00 44.11 O ATOM 2515 CB VAL A 157 16.959 18.154 3.379 1.00 71.14 C ATOM 2516 CG1 VAL A 157 18.316 18.115 2.673 1.00 14.14 C ATOM 2517 CG2 VAL A 157 17.151 18.616 4.825 1.00 0.35 C ATOM 2518 OXT VAL A 157 14.664 17.740 1.325 1.00 44.11 O ATOM 0 H VAL A 157 14.968 19.149 4.462 1.00 74.02 H new ATOM 0 HA VAL A 157 16.565 20.061 2.457 1.00 31.04 H new ATOM 0 HB VAL A 157 16.516 17.158 3.370 1.00 71.14 H new ATOM 0 HG11 VAL A 157 18.976 17.419 3.191 1.00 14.14 H new ATOM 0 HG12 VAL A 157 18.181 17.787 1.642 1.00 14.14 H new ATOM 0 HG13 VAL A 157 18.759 19.111 2.682 1.00 14.14 H new ATOM 0 HG21 VAL A 157 17.811 17.921 5.344 1.00 0.35 H new ATOM 0 HG22 VAL A 157 17.594 19.612 4.833 1.00 0.35 H new ATOM 0 HG23 VAL A 157 16.185 18.645 5.329 1.00 0.35 H new TER 2528 VAL A 157 HETATM 2529 O6 EB4 A 200 1.218 3.885 3.550 1.00 20.00 O HETATM 2530 O4 EB4 A 200 0.456 2.008 2.588 1.00 20.00 O HETATM 2531 O5 EB4 A 200 2.739 2.562 2.699 1.00 20.00 O HETATM 2532 N1 EB4 A 200 0.509 -1.721 5.713 1.00 20.00 N HETATM 2533 C5 EB4 A 200 3.964 1.978 2.788 1.00 20.00 C HETATM 2534 C4 EB4 A 200 -0.217 0.829 2.522 1.00 20.00 C HETATM 2535 C1 EB4 A 200 0.025 -0.028 3.590 1.00 20.00 C HETATM 2536 C2 EB4 A 200 4.272 1.444 4.034 1.00 20.00 C HETATM 2537 C6 EB4 A 200 0.594 4.477 4.603 1.00 20.00 C HETATM 2538 C8 EB4 A 200 4.883 1.890 1.750 1.00 20.00 C HETATM 2539 N2 EB4 A 200 4.792 0.238 6.361 1.00 20.00 N HETATM 2540 C9 EB4 A 200 -0.115 5.672 4.537 1.00 20.00 C HETATM 2541 C10 EB4 A 200 -1.714 -0.800 1.562 1.00 20.00 C HETATM 2542 O3 EB4 A 200 1.373 2.615 5.744 1.00 20.00 O HETATM 2543 N3 EB4 A 200 0.790 2.386 8.196 1.00 20.00 N HETATM 2544 C16 EB4 A 200 -0.601 -1.268 3.644 1.00 20.00 C HETATM 2545 C7 EB4 A 200 -1.087 0.439 1.509 1.00 20.00 C HETATM 2546 C3 EB4 A 200 0.703 3.796 5.810 1.00 20.00 C HETATM 2547 C11 EB4 A 200 6.109 1.267 1.958 1.00 20.00 C HETATM 2548 O1 EB4 A 200 0.892 0.460 4.517 1.00 20.00 O HETATM 2549 O2 EB4 A 200 3.306 1.583 4.982 1.00 20.00 O HETATM 2550 C12 EB4 A 200 -0.685 6.202 5.688 1.00 20.00 C HETATM 2551 C15 EB4 A 200 -0.545 5.539 6.903 1.00 20.00 C HETATM 2552 C14 EB4 A 200 6.415 0.734 3.204 1.00 20.00 C HETATM 2553 C13 EB4 A 200 -1.471 -1.655 2.631 1.00 20.00 C HETATM 2554 O7 EB4 A 200 -0.887 -3.288 4.850 1.00 20.00 O HETATM 2555 C19 EB4 A 200 -0.342 -2.187 4.788 1.00 20.00 C HETATM 2556 C22 EB4 A 200 0.868 -2.507 6.901 1.00 20.00 C HETATM 2557 C25 EB4 A 200 0.479 -1.767 8.170 1.00 20.00 C HETATM 2558 O10 EB4 A 200 0.124 -2.387 9.172 1.00 20.00 O HETATM 2559 O15 EB4 A 200 0.550 -0.410 8.115 1.00 20.00 O HETATM 2560 C30 EB4 A 200 0.163 0.299 9.302 1.00 20.00 C HETATM 2561 C24 EB4 A 200 0.992 1.568 9.401 1.00 20.00 C HETATM 2562 C21 EB4 A 200 0.295 3.630 8.269 1.00 20.00 C HETATM 2563 C18 EB4 A 200 0.149 4.336 6.965 1.00 20.00 C HETATM 2564 O9 EB4 A 200 -0.026 4.179 9.322 1.00 20.00 O HETATM 2565 C27 EB4 A 200 2.464 1.112 9.634 1.00 20.00 C HETATM 2566 O12 EB4 A 200 2.833 0.687 10.728 1.00 20.00 O HETATM 2567 C28 EB4 A 200 2.337 -2.902 6.854 1.00 20.00 C HETATM 2568 O13 EB4 A 200 3.232 -1.781 6.786 1.00 20.00 O HETATM 2569 C26 EB4 A 200 3.966 -1.479 7.891 1.00 20.00 C HETATM 2570 O11 EB4 A 200 3.888 -2.086 8.958 1.00 20.00 O HETATM 2571 C23 EB4 A 200 4.926 -0.298 7.723 1.00 20.00 C HETATM 2572 C29 EB4 A 200 4.622 0.784 8.747 1.00 20.00 C HETATM 2573 O14 EB4 A 200 3.274 1.227 8.549 1.00 20.00 O HETATM 2574 C20 EB4 A 200 5.809 0.288 5.490 1.00 20.00 C HETATM 2575 O8 EB4 A 200 6.947 -0.103 5.741 1.00 20.00 O HETATM 2576 C17 EB4 A 200 5.497 0.822 4.244 1.00 20.00 C HETATM 0 H30A EB4 A 200 -0.899 0.543 9.268 1.00 20.00 H new HETATM 0 H29A EB4 A 200 4.749 0.396 9.758 1.00 20.00 H new HETATM 0 H28A EB4 A 200 2.574 -3.492 7.739 1.00 20.00 H new HETATM 0 HN3 EB4 A 200 1.032 1.998 7.284 1.00 20.00 H new HETATM 0 HN2 EB4 A 200 3.881 0.589 6.065 1.00 20.00 H new HETATM 0 HN1 EB4 A 200 0.919 -0.795 5.589 1.00 20.00 H new HETATM 0 H9 EB4 A 200 -0.223 6.191 3.585 1.00 20.00 H new HETATM 0 H8 EB4 A 200 4.643 2.309 0.773 1.00 20.00 H new HETATM 0 H7 EB4 A 200 -1.278 1.108 0.670 1.00 20.00 H new HETATM 0 H30 EB4 A 200 0.319 -0.324 10.183 1.00 20.00 H new HETATM 0 H29 EB4 A 200 5.316 1.617 8.636 1.00 20.00 H new HETATM 0 H28 EB4 A 200 2.505 -3.543 5.989 1.00 20.00 H new HETATM 0 H24 EB4 A 200 0.697 2.212 10.229 1.00 20.00 H new HETATM 0 H23 EB4 A 200 5.949 -0.638 7.883 1.00 20.00 H new HETATM 0 H22 EB4 A 200 0.301 -3.438 6.907 1.00 20.00 H new HETATM 0 H15 EB4 A 200 -0.980 5.963 7.808 1.00 20.00 H new HETATM 0 H14 EB4 A 200 7.376 0.246 3.366 1.00 20.00 H new HETATM 0 H13 EB4 A 200 -1.962 -2.627 2.675 1.00 20.00 H new HETATM 0 H12 EB4 A 200 -1.242 7.138 5.639 1.00 20.00 H new HETATM 0 H11 EB4 A 200 6.830 1.197 1.143 1.00 20.00 H new HETATM 0 H10 EB4 A 200 -2.396 -1.101 0.766 1.00 20.00 H new HETATM 2598 GA GA A 201 1.731 2.121 4.037 1.00 20.00 GA HETATM 2599 C1 ACD A 300 -1.197 10.642 -10.646 1.00 20.00 C HETATM 2600 C2 ACD A 300 0.318 10.599 -10.864 1.00 20.00 C HETATM 2601 C3 ACD A 300 0.928 9.447 -10.061 1.00 20.00 C HETATM 2602 C4 ACD A 300 0.643 9.657 -8.573 1.00 20.00 C HETATM 2603 C5 ACD A 300 1.274 8.527 -7.757 1.00 20.00 C HETATM 2604 C6 ACD A 300 0.590 8.018 -6.486 1.00 20.00 C HETATM 2605 C7 ACD A 300 -0.731 8.634 -6.020 1.00 20.00 C HETATM 2606 C8 ACD A 300 -0.611 9.100 -4.568 1.00 20.00 C HETATM 2607 C9 ACD A 300 -0.646 8.093 -3.416 1.00 20.00 C HETATM 2608 C10 ACD A 300 -0.800 6.596 -3.691 1.00 20.00 C HETATM 2609 C11 ACD A 300 -1.620 5.962 -2.566 1.00 20.00 C HETATM 2610 C12 ACD A 300 -0.926 5.526 -1.274 1.00 20.00 C HETATM 2611 C13 ACD A 300 0.583 5.729 -1.120 1.00 20.00 C HETATM 2612 C14 ACD A 300 0.856 5.970 0.366 1.00 20.00 C HETATM 2613 C15 ACD A 300 0.988 7.392 0.917 1.00 20.00 C HETATM 2614 C16 ACD A 300 0.847 8.600 -0.012 1.00 20.00 C HETATM 2615 C17 ACD A 300 1.998 8.630 -1.019 1.00 20.00 C HETATM 2616 C18 ACD A 300 1.741 9.738 -2.043 1.00 20.00 C HETATM 2617 C19 ACD A 300 2.667 9.533 -3.242 1.00 20.00 C HETATM 2618 C20 ACD A 300 2.274 10.479 -4.379 1.00 20.00 C HETATM 2619 O1 ACD A 300 -1.765 11.747 -10.790 1.00 20.00 O HETATM 2620 O2 ACD A 300 -1.754 9.567 -10.339 1.00 20.00 O HETATM 0 H203 ACD A 300 1.247 10.276 -4.682 1.00 20.00 H new HETATM 0 H202 ACD A 300 2.355 11.511 -4.038 1.00 20.00 H new HETATM 0 H201 ACD A 300 2.940 10.324 -5.228 1.00 20.00 H new HETATM 0 H192 ACD A 300 3.701 9.715 -2.948 1.00 20.00 H new HETATM 0 H191 ACD A 300 2.610 8.499 -3.583 1.00 20.00 H new HETATM 0 H182 ACD A 300 0.700 9.719 -2.364 1.00 20.00 H new HETATM 0 H181 ACD A 300 1.918 10.715 -1.593 1.00 20.00 H new HETATM 0 H172 ACD A 300 2.943 8.806 -0.505 1.00 20.00 H new HETATM 0 H171 ACD A 300 2.083 7.666 -1.521 1.00 20.00 H new HETATM 0 H162 ACD A 300 -0.106 8.553 -0.539 1.00 20.00 H new HETATM 0 H161 ACD A 300 0.842 9.519 0.573 1.00 20.00 H new HETATM 0 H132 ACD A 300 1.127 4.854 -1.474 1.00 20.00 H new HETATM 0 H131 ACD A 300 0.920 6.577 -1.716 1.00 20.00 H new HETATM 0 H102 ACD A 300 -1.293 6.439 -4.650 1.00 20.00 H new HETATM 0 H101 ACD A 300 0.180 6.123 -3.755 1.00 20.00 H new HETATM 0 HO2 ACD A 300 -1.543 8.886 -11.011 1.00 20.00 H new HETATM 0 H9 ACD A 300 -0.560 8.446 -2.388 1.00 20.00 H new HETATM 0 H8 ACD A 300 -0.499 10.162 -4.351 1.00 20.00 H new HETATM 0 H72 ACD A 300 -0.994 9.476 -6.660 1.00 20.00 H new HETATM 0 H71 ACD A 300 -1.534 7.902 -6.110 1.00 20.00 H new HETATM 0 H6 ACD A 300 1.046 7.213 -5.910 1.00 20.00 H new HETATM 0 H5 ACD A 300 2.215 8.083 -8.082 1.00 20.00 H new HETATM 0 H42 ACD A 300 1.043 10.618 -8.249 1.00 20.00 H new HETATM 0 H41 ACD A 300 -0.433 9.685 -8.400 1.00 20.00 H new HETATM 0 H32 ACD A 300 0.509 8.497 -10.392 1.00 20.00 H new HETATM 0 H31 ACD A 300 2.003 9.399 -10.233 1.00 20.00 H new HETATM 0 H22 ACD A 300 0.538 10.471 -11.924 1.00 20.00 H new HETATM 0 H21 ACD A 300 0.765 11.544 -10.557 1.00 20.00 H new HETATM 0 H15 ACD A 300 1.184 7.545 1.978 1.00 20.00 H new HETATM 0 H14 ACD A 300 0.958 5.119 1.040 1.00 20.00 H new HETATM 0 H12 ACD A 300 -1.503 5.073 -0.468 1.00 20.00 H new HETATM 0 H11 ACD A 300 -2.694 5.821 -2.684 1.00 20.00 H new