USER MOD reduce.3.24.130724 H: found=0, std=0, add=867, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 864 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 7 SER OG : rot 180:sc= -0.0804 USER MOD Single : A 8 THR OG1 : rot -150:sc= -0.126 USER MOD Single : A 19 ASN : amide:sc= 0 K(o=0,f=-0.78) USER MOD Single : A 21 THR OG1 : rot -84:sc= 0.327 USER MOD Single : A 22 GLN : amide:sc= -0.0422 X(o=-0.042,f=-0.042) USER MOD Single : A 23 ASN : amide:sc= -0.946 K(o=-0.95,f=-5.3!) USER MOD Single : A 24 GLN : amide:sc= -6.68! C(o=-6.7!,f=-17!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= -0.195 K(o=-0.2,f=-2.2!) USER MOD Single : A 32 SER OG : rot -178:sc= -0.57 USER MOD Single : A 33 MET CE :methyl 136:sc= -0.265 (180deg=-1.33!) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= -0.0253 K(o=-0.025,f=-1.9!) USER MOD Single : A 40 THR OG1 : rot 180:sc=-0.00814 USER MOD Single : A 43 MET CE :methyl -143:sc= -0.278 (180deg=-2.02!) USER MOD Single : A 44 TYR OH : rot 30:sc= -0.831 USER MOD Single : A 50 SER OG : rot -160:sc= 0 USER MOD Single : A 53 ASN : amide:sc= -0.655 X(o=-0.65,f=-1!) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 165:sc= -0.0274 (180deg=-0.385) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 GLN : amide:sc= -0.361 K(o=-0.36,f=-0.94) USER MOD Single : A 66 MET CE :methyl 178:sc= -0.955 (180deg=-1.03) USER MOD Single : A 68 SER OG : rot 70:sc= 0.357 USER MOD Single : A 73 HIS : no HD1:sc= -3.22! C(o=-3.2!,f=-12!) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 SER OG : rot 180:sc= 0.00313 USER MOD Single : A 79 GLN :FLIP amide:sc= 0 F(o=-1.2!,f=0) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot -37:sc= 0.66 USER MOD Single : A 84 HIS : no HD1:sc= -4.67! C(o=-4.7!,f=-6.5!) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 HIS : no HD1:sc= -4.24 X(o=-4.2,f=-4.3!) USER MOD Single : A 104 LYS NZ :NH3+ 157:sc= -1.7 (180deg=-3.65!) USER MOD Single : A 105 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0828) USER MOD Single : A 113 ASN : amide:sc= -0.531 K(o=-0.53,f=-3.5!) USER MOD ----------------------------------------------------------------- ATOM 57 N PRO A 5 17.510 5.809 4.232 1.00 0.00 N ATOM 58 CA PRO A 5 17.476 6.505 2.910 1.00 0.00 C ATOM 59 C PRO A 5 16.162 6.223 2.149 1.00 0.00 C ATOM 60 O PRO A 5 15.387 5.376 2.548 1.00 0.00 O ATOM 61 CB PRO A 5 18.698 5.902 2.178 1.00 0.00 C ATOM 62 CG PRO A 5 19.493 5.035 3.176 1.00 0.00 C ATOM 63 CD PRO A 5 18.724 4.985 4.508 1.00 0.00 C ATOM 0 HA PRO A 5 17.516 7.591 2.995 1.00 0.00 H new ATOM 0 HB2 PRO A 5 18.371 5.299 1.330 1.00 0.00 H new ATOM 0 HB3 PRO A 5 19.330 6.696 1.780 1.00 0.00 H new ATOM 0 HG2 PRO A 5 19.627 4.029 2.779 1.00 0.00 H new ATOM 0 HG3 PRO A 5 20.488 5.452 3.330 1.00 0.00 H new ATOM 0 HD2 PRO A 5 18.463 3.963 4.784 1.00 0.00 H new ATOM 0 HD3 PRO A 5 19.312 5.397 5.328 1.00 0.00 H new ATOM 71 N PRO A 6 15.911 6.917 1.060 1.00 0.00 N ATOM 72 CA PRO A 6 14.664 6.687 0.270 1.00 0.00 C ATOM 73 C PRO A 6 14.674 5.315 -0.423 1.00 0.00 C ATOM 74 O PRO A 6 13.734 4.552 -0.336 1.00 0.00 O ATOM 75 CB PRO A 6 14.718 7.828 -0.763 1.00 0.00 C ATOM 76 CG PRO A 6 16.144 8.404 -0.762 1.00 0.00 C ATOM 77 CD PRO A 6 16.832 7.970 0.543 1.00 0.00 C ATOM 0 HA PRO A 6 13.761 6.685 0.881 1.00 0.00 H new ATOM 0 HB2 PRO A 6 14.458 7.457 -1.754 1.00 0.00 H new ATOM 0 HB3 PRO A 6 13.994 8.603 -0.513 1.00 0.00 H new ATOM 0 HG2 PRO A 6 16.702 8.041 -1.625 1.00 0.00 H new ATOM 0 HG3 PRO A 6 16.116 9.491 -0.834 1.00 0.00 H new ATOM 0 HD2 PRO A 6 17.834 7.580 0.363 1.00 0.00 H new ATOM 0 HD3 PRO A 6 16.934 8.799 1.243 1.00 0.00 H new ATOM 85 N SER A 7 15.735 5.017 -1.118 1.00 0.00 N ATOM 86 CA SER A 7 15.834 3.715 -1.837 1.00 0.00 C ATOM 87 C SER A 7 15.816 2.554 -0.839 1.00 0.00 C ATOM 88 O SER A 7 15.232 1.520 -1.090 1.00 0.00 O ATOM 89 CB SER A 7 17.142 3.683 -2.625 1.00 0.00 C ATOM 90 OG SER A 7 18.235 3.677 -1.716 1.00 0.00 O ATOM 0 H SER A 7 16.547 5.626 -1.220 1.00 0.00 H new ATOM 0 HA SER A 7 14.984 3.612 -2.512 1.00 0.00 H new ATOM 0 HB2 SER A 7 17.177 2.798 -3.260 1.00 0.00 H new ATOM 0 HB3 SER A 7 17.205 4.550 -3.283 1.00 0.00 H new ATOM 0 HG SER A 7 19.077 3.655 -2.217 1.00 0.00 H new ATOM 96 N THR A 8 16.458 2.709 0.286 1.00 0.00 N ATOM 97 CA THR A 8 16.480 1.605 1.291 1.00 0.00 C ATOM 98 C THR A 8 15.083 1.408 1.876 1.00 0.00 C ATOM 99 O THR A 8 14.640 0.295 2.087 1.00 0.00 O ATOM 100 CB THR A 8 17.463 1.953 2.409 1.00 0.00 C ATOM 101 OG1 THR A 8 18.763 2.101 1.858 1.00 0.00 O ATOM 102 CG2 THR A 8 17.476 0.838 3.453 1.00 0.00 C ATOM 0 H THR A 8 16.968 3.551 0.554 1.00 0.00 H new ATOM 0 HA THR A 8 16.796 0.682 0.805 1.00 0.00 H new ATOM 0 HB THR A 8 17.156 2.884 2.885 1.00 0.00 H new ATOM 0 HG1 THR A 8 19.433 1.851 2.528 1.00 0.00 H new ATOM 0 HG21 THR A 8 18.178 1.091 4.247 1.00 0.00 H new ATOM 0 HG22 THR A 8 16.477 0.723 3.875 1.00 0.00 H new ATOM 0 HG23 THR A 8 17.782 -0.097 2.983 1.00 0.00 H new ATOM 110 N ALA A 9 14.381 2.475 2.133 1.00 0.00 N ATOM 111 CA ALA A 9 13.012 2.338 2.694 1.00 0.00 C ATOM 112 C ALA A 9 12.151 1.542 1.714 1.00 0.00 C ATOM 113 O ALA A 9 11.454 0.620 2.090 1.00 0.00 O ATOM 114 CB ALA A 9 12.403 3.727 2.895 1.00 0.00 C ATOM 0 H ALA A 9 14.696 3.433 1.979 1.00 0.00 H new ATOM 0 HA ALA A 9 13.055 1.821 3.652 1.00 0.00 H new ATOM 0 HB1 ALA A 9 11.399 3.628 3.307 1.00 0.00 H new ATOM 0 HB2 ALA A 9 13.023 4.300 3.585 1.00 0.00 H new ATOM 0 HB3 ALA A 9 12.353 4.244 1.937 1.00 0.00 H new ATOM 120 N LEU A 10 12.192 1.891 0.456 1.00 0.00 N ATOM 121 CA LEU A 10 11.374 1.158 -0.548 1.00 0.00 C ATOM 122 C LEU A 10 11.805 -0.311 -0.576 1.00 0.00 C ATOM 123 O LEU A 10 10.987 -1.210 -0.537 1.00 0.00 O ATOM 124 CB LEU A 10 11.581 1.792 -1.929 1.00 0.00 C ATOM 125 CG LEU A 10 10.745 1.060 -2.992 1.00 0.00 C ATOM 126 CD1 LEU A 10 9.246 1.194 -2.671 1.00 0.00 C ATOM 127 CD2 LEU A 10 11.040 1.677 -4.366 1.00 0.00 C ATOM 0 H LEU A 10 12.758 2.653 0.082 1.00 0.00 H new ATOM 0 HA LEU A 10 10.319 1.216 -0.281 1.00 0.00 H new ATOM 0 HB2 LEU A 10 11.299 2.844 -1.898 1.00 0.00 H new ATOM 0 HB3 LEU A 10 12.636 1.753 -2.198 1.00 0.00 H new ATOM 0 HG LEU A 10 11.006 0.002 -2.997 1.00 0.00 H new ATOM 0 HD11 LEU A 10 8.663 0.672 -3.430 1.00 0.00 H new ATOM 0 HD12 LEU A 10 9.043 0.757 -1.693 1.00 0.00 H new ATOM 0 HD13 LEU A 10 8.969 2.248 -2.662 1.00 0.00 H new ATOM 0 HD21 LEU A 10 10.452 1.165 -5.128 1.00 0.00 H new ATOM 0 HD22 LEU A 10 10.777 2.735 -4.354 1.00 0.00 H new ATOM 0 HD23 LEU A 10 12.101 1.570 -4.593 1.00 0.00 H new ATOM 139 N ARG A 11 13.085 -0.564 -0.643 1.00 0.00 N ATOM 140 CA ARG A 11 13.564 -1.975 -0.675 1.00 0.00 C ATOM 141 C ARG A 11 13.104 -2.690 0.596 1.00 0.00 C ATOM 142 O ARG A 11 12.585 -3.787 0.548 1.00 0.00 O ATOM 143 CB ARG A 11 15.094 -1.991 -0.754 1.00 0.00 C ATOM 144 CG ARG A 11 15.540 -1.495 -2.133 1.00 0.00 C ATOM 145 CD ARG A 11 17.068 -1.513 -2.219 1.00 0.00 C ATOM 146 NE ARG A 11 17.633 -0.503 -1.282 1.00 0.00 N ATOM 147 CZ ARG A 11 18.898 -0.549 -0.961 1.00 0.00 C ATOM 148 NH1 ARG A 11 19.661 -1.484 -1.455 1.00 0.00 N ATOM 149 NH2 ARG A 11 19.398 0.336 -0.142 1.00 0.00 N ATOM 0 H ARG A 11 13.818 0.145 -0.677 1.00 0.00 H new ATOM 0 HA ARG A 11 13.154 -2.485 -1.547 1.00 0.00 H new ATOM 0 HB2 ARG A 11 15.516 -1.357 0.026 1.00 0.00 H new ATOM 0 HB3 ARG A 11 15.467 -3.000 -0.581 1.00 0.00 H new ATOM 0 HG2 ARG A 11 15.115 -2.127 -2.912 1.00 0.00 H new ATOM 0 HG3 ARG A 11 15.168 -0.485 -2.304 1.00 0.00 H new ATOM 0 HD2 ARG A 11 17.445 -2.505 -1.970 1.00 0.00 H new ATOM 0 HD3 ARG A 11 17.388 -1.297 -3.238 1.00 0.00 H new ATOM 0 HE ARG A 11 17.033 0.224 -0.892 1.00 0.00 H new ATOM 0 HH11 ARG A 11 19.270 -2.178 -2.091 1.00 0.00 H new ATOM 0 HH12 ARG A 11 20.649 -1.521 -1.205 1.00 0.00 H new ATOM 0 HH21 ARG A 11 18.800 1.065 0.248 1.00 0.00 H new ATOM 0 HH22 ARG A 11 20.386 0.299 0.108 1.00 0.00 H new ATOM 163 N GLU A 12 13.266 -2.070 1.731 1.00 0.00 N ATOM 164 CA GLU A 12 12.810 -2.711 2.993 1.00 0.00 C ATOM 165 C GLU A 12 11.293 -2.897 2.939 1.00 0.00 C ATOM 166 O GLU A 12 10.759 -3.881 3.412 1.00 0.00 O ATOM 167 CB GLU A 12 13.188 -1.835 4.191 1.00 0.00 C ATOM 168 CG GLU A 12 14.706 -1.880 4.389 1.00 0.00 C ATOM 169 CD GLU A 12 15.095 -1.008 5.584 1.00 0.00 C ATOM 170 OE1 GLU A 12 14.218 -0.358 6.128 1.00 0.00 O ATOM 171 OE2 GLU A 12 16.262 -1.014 5.940 1.00 0.00 O ATOM 0 H GLU A 12 13.693 -1.150 1.838 1.00 0.00 H new ATOM 0 HA GLU A 12 13.293 -3.682 3.105 1.00 0.00 H new ATOM 0 HB2 GLU A 12 12.861 -0.809 4.024 1.00 0.00 H new ATOM 0 HB3 GLU A 12 12.681 -2.188 5.089 1.00 0.00 H new ATOM 0 HG2 GLU A 12 15.031 -2.907 4.555 1.00 0.00 H new ATOM 0 HG3 GLU A 12 15.211 -1.527 3.489 1.00 0.00 H new ATOM 178 N LEU A 13 10.590 -1.957 2.371 1.00 0.00 N ATOM 179 CA LEU A 13 9.107 -2.081 2.300 1.00 0.00 C ATOM 180 C LEU A 13 8.720 -3.194 1.320 1.00 0.00 C ATOM 181 O LEU A 13 7.839 -3.986 1.590 1.00 0.00 O ATOM 182 CB LEU A 13 8.515 -0.743 1.826 1.00 0.00 C ATOM 183 CG LEU A 13 6.983 -0.833 1.726 1.00 0.00 C ATOM 184 CD1 LEU A 13 6.382 -1.210 3.087 1.00 0.00 C ATOM 185 CD2 LEU A 13 6.426 0.527 1.283 1.00 0.00 C ATOM 0 H LEU A 13 10.977 -1.110 1.954 1.00 0.00 H new ATOM 0 HA LEU A 13 8.715 -2.330 3.286 1.00 0.00 H new ATOM 0 HB2 LEU A 13 8.793 0.050 2.520 1.00 0.00 H new ATOM 0 HB3 LEU A 13 8.933 -0.478 0.855 1.00 0.00 H new ATOM 0 HG LEU A 13 6.718 -1.600 0.998 1.00 0.00 H new ATOM 0 HD11 LEU A 13 5.297 -1.270 3.002 1.00 0.00 H new ATOM 0 HD12 LEU A 13 6.775 -2.176 3.403 1.00 0.00 H new ATOM 0 HD13 LEU A 13 6.646 -0.452 3.824 1.00 0.00 H new ATOM 0 HD21 LEU A 13 5.340 0.469 1.210 1.00 0.00 H new ATOM 0 HD22 LEU A 13 6.701 1.288 2.013 1.00 0.00 H new ATOM 0 HD23 LEU A 13 6.841 0.791 0.310 1.00 0.00 H new ATOM 197 N ILE A 14 9.365 -3.266 0.189 1.00 0.00 N ATOM 198 CA ILE A 14 9.019 -4.335 -0.793 1.00 0.00 C ATOM 199 C ILE A 14 9.330 -5.717 -0.202 1.00 0.00 C ATOM 200 O ILE A 14 8.557 -6.644 -0.333 1.00 0.00 O ATOM 201 CB ILE A 14 9.829 -4.137 -2.081 1.00 0.00 C ATOM 202 CG1 ILE A 14 9.342 -2.874 -2.799 1.00 0.00 C ATOM 203 CG2 ILE A 14 9.642 -5.351 -2.998 1.00 0.00 C ATOM 204 CD1 ILE A 14 10.297 -2.530 -3.945 1.00 0.00 C ATOM 0 H ILE A 14 10.113 -2.635 -0.098 1.00 0.00 H new ATOM 0 HA ILE A 14 7.954 -4.274 -1.018 1.00 0.00 H new ATOM 0 HB ILE A 14 10.885 -4.031 -1.833 1.00 0.00 H new ATOM 0 HG12 ILE A 14 8.335 -3.030 -3.186 1.00 0.00 H new ATOM 0 HG13 ILE A 14 9.288 -2.043 -2.096 1.00 0.00 H new ATOM 0 HG21 ILE A 14 10.218 -5.209 -3.912 1.00 0.00 H new ATOM 0 HG22 ILE A 14 9.988 -6.250 -2.487 1.00 0.00 H new ATOM 0 HG23 ILE A 14 8.586 -5.459 -3.247 1.00 0.00 H new ATOM 0 HD11 ILE A 14 9.947 -1.631 -4.453 1.00 0.00 H new ATOM 0 HD12 ILE A 14 11.296 -2.355 -3.546 1.00 0.00 H new ATOM 0 HD13 ILE A 14 10.329 -3.358 -4.653 1.00 0.00 H new ATOM 216 N GLU A 15 10.467 -5.868 0.421 1.00 0.00 N ATOM 217 CA GLU A 15 10.833 -7.199 0.986 1.00 0.00 C ATOM 218 C GLU A 15 9.793 -7.637 2.018 1.00 0.00 C ATOM 219 O GLU A 15 9.421 -8.791 2.081 1.00 0.00 O ATOM 220 CB GLU A 15 12.208 -7.110 1.660 1.00 0.00 C ATOM 221 CG GLU A 15 13.296 -6.935 0.596 1.00 0.00 C ATOM 222 CD GLU A 15 14.665 -6.843 1.276 1.00 0.00 C ATOM 223 OE1 GLU A 15 14.695 -6.736 2.490 1.00 0.00 O ATOM 224 OE2 GLU A 15 15.660 -6.875 0.569 1.00 0.00 O ATOM 0 H GLU A 15 11.157 -5.130 0.563 1.00 0.00 H new ATOM 0 HA GLU A 15 10.865 -7.929 0.177 1.00 0.00 H new ATOM 0 HB2 GLU A 15 12.229 -6.271 2.356 1.00 0.00 H new ATOM 0 HB3 GLU A 15 12.397 -8.012 2.242 1.00 0.00 H new ATOM 0 HG2 GLU A 15 13.279 -7.775 -0.099 1.00 0.00 H new ATOM 0 HG3 GLU A 15 13.107 -6.034 0.012 1.00 0.00 H new ATOM 231 N GLU A 16 9.324 -6.733 2.830 1.00 0.00 N ATOM 232 CA GLU A 16 8.315 -7.117 3.854 1.00 0.00 C ATOM 233 C GLU A 16 6.965 -7.398 3.186 1.00 0.00 C ATOM 234 O GLU A 16 6.281 -8.342 3.528 1.00 0.00 O ATOM 235 CB GLU A 16 8.162 -5.984 4.869 1.00 0.00 C ATOM 236 CG GLU A 16 7.210 -6.427 5.981 1.00 0.00 C ATOM 237 CD GLU A 16 7.176 -5.366 7.081 1.00 0.00 C ATOM 238 OE1 GLU A 16 7.895 -4.389 6.956 1.00 0.00 O ATOM 239 OE2 GLU A 16 6.433 -5.550 8.031 1.00 0.00 O ATOM 0 H GLU A 16 9.594 -5.749 2.829 1.00 0.00 H new ATOM 0 HA GLU A 16 8.651 -8.020 4.364 1.00 0.00 H new ATOM 0 HB2 GLU A 16 9.133 -5.723 5.289 1.00 0.00 H new ATOM 0 HB3 GLU A 16 7.776 -5.090 4.378 1.00 0.00 H new ATOM 0 HG2 GLU A 16 6.209 -6.579 5.577 1.00 0.00 H new ATOM 0 HG3 GLU A 16 7.536 -7.382 6.393 1.00 0.00 H new ATOM 246 N LEU A 17 6.566 -6.586 2.242 1.00 0.00 N ATOM 247 CA LEU A 17 5.252 -6.821 1.571 1.00 0.00 C ATOM 248 C LEU A 17 5.271 -8.169 0.848 1.00 0.00 C ATOM 249 O LEU A 17 4.328 -8.933 0.909 1.00 0.00 O ATOM 250 CB LEU A 17 4.981 -5.712 0.548 1.00 0.00 C ATOM 251 CG LEU A 17 4.716 -4.376 1.260 1.00 0.00 C ATOM 252 CD1 LEU A 17 4.697 -3.258 0.216 1.00 0.00 C ATOM 253 CD2 LEU A 17 3.363 -4.405 1.997 1.00 0.00 C ATOM 0 H LEU A 17 7.088 -5.776 1.908 1.00 0.00 H new ATOM 0 HA LEU A 17 4.468 -6.821 2.328 1.00 0.00 H new ATOM 0 HB2 LEU A 17 5.835 -5.611 -0.122 1.00 0.00 H new ATOM 0 HB3 LEU A 17 4.122 -5.979 -0.068 1.00 0.00 H new ATOM 0 HG LEU A 17 5.504 -4.203 1.993 1.00 0.00 H new ATOM 0 HD11 LEU A 17 4.510 -2.304 0.708 1.00 0.00 H new ATOM 0 HD12 LEU A 17 5.659 -3.220 -0.294 1.00 0.00 H new ATOM 0 HD13 LEU A 17 3.908 -3.452 -0.511 1.00 0.00 H new ATOM 0 HD21 LEU A 17 3.198 -3.448 2.493 1.00 0.00 H new ATOM 0 HD22 LEU A 17 2.562 -4.585 1.280 1.00 0.00 H new ATOM 0 HD23 LEU A 17 3.370 -5.202 2.740 1.00 0.00 H new ATOM 265 N VAL A 18 6.333 -8.460 0.153 1.00 0.00 N ATOM 266 CA VAL A 18 6.416 -9.748 -0.589 1.00 0.00 C ATOM 267 C VAL A 18 6.447 -10.923 0.398 1.00 0.00 C ATOM 268 O VAL A 18 5.851 -11.956 0.171 1.00 0.00 O ATOM 269 CB VAL A 18 7.692 -9.750 -1.437 1.00 0.00 C ATOM 270 CG1 VAL A 18 7.909 -11.137 -2.049 1.00 0.00 C ATOM 271 CG2 VAL A 18 7.560 -8.712 -2.552 1.00 0.00 C ATOM 0 H VAL A 18 7.152 -7.858 0.066 1.00 0.00 H new ATOM 0 HA VAL A 18 5.543 -9.856 -1.233 1.00 0.00 H new ATOM 0 HB VAL A 18 8.545 -9.502 -0.806 1.00 0.00 H new ATOM 0 HG11 VAL A 18 8.818 -11.131 -2.651 1.00 0.00 H new ATOM 0 HG12 VAL A 18 8.006 -11.875 -1.253 1.00 0.00 H new ATOM 0 HG13 VAL A 18 7.058 -11.393 -2.680 1.00 0.00 H new ATOM 0 HG21 VAL A 18 8.466 -8.711 -3.157 1.00 0.00 H new ATOM 0 HG22 VAL A 18 6.704 -8.960 -3.180 1.00 0.00 H new ATOM 0 HG23 VAL A 18 7.415 -7.724 -2.114 1.00 0.00 H new ATOM 281 N ASN A 19 7.157 -10.775 1.480 1.00 0.00 N ATOM 282 CA ASN A 19 7.258 -11.881 2.477 1.00 0.00 C ATOM 283 C ASN A 19 5.881 -12.262 3.037 1.00 0.00 C ATOM 284 O ASN A 19 5.587 -13.424 3.236 1.00 0.00 O ATOM 285 CB ASN A 19 8.153 -11.426 3.632 1.00 0.00 C ATOM 286 CG ASN A 19 8.267 -12.549 4.664 1.00 0.00 C ATOM 287 OD1 ASN A 19 8.279 -13.712 4.313 1.00 0.00 O ATOM 288 ND2 ASN A 19 8.348 -12.249 5.931 1.00 0.00 N ATOM 0 H ASN A 19 7.676 -9.930 1.720 1.00 0.00 H new ATOM 0 HA ASN A 19 7.678 -12.754 1.978 1.00 0.00 H new ATOM 0 HB2 ASN A 19 9.142 -11.161 3.257 1.00 0.00 H new ATOM 0 HB3 ASN A 19 7.738 -10.532 4.097 1.00 0.00 H new ATOM 0 HD21 ASN A 19 8.421 -12.991 6.627 1.00 0.00 H new ATOM 0 HD22 ASN A 19 8.338 -11.273 6.226 1.00 0.00 H new ATOM 295 N ILE A 20 5.049 -11.300 3.327 1.00 0.00 N ATOM 296 CA ILE A 20 3.714 -11.621 3.915 1.00 0.00 C ATOM 297 C ILE A 20 2.727 -12.122 2.849 1.00 0.00 C ATOM 298 O ILE A 20 1.716 -12.707 3.179 1.00 0.00 O ATOM 299 CB ILE A 20 3.156 -10.373 4.611 1.00 0.00 C ATOM 300 CG1 ILE A 20 2.985 -9.230 3.604 1.00 0.00 C ATOM 301 CG2 ILE A 20 4.131 -9.933 5.702 1.00 0.00 C ATOM 302 CD1 ILE A 20 2.286 -8.051 4.288 1.00 0.00 C ATOM 0 H ILE A 20 5.233 -10.307 3.183 1.00 0.00 H new ATOM 0 HA ILE A 20 3.842 -12.425 4.640 1.00 0.00 H new ATOM 0 HB ILE A 20 2.185 -10.613 5.044 1.00 0.00 H new ATOM 0 HG12 ILE A 20 3.957 -8.919 3.222 1.00 0.00 H new ATOM 0 HG13 ILE A 20 2.400 -9.568 2.749 1.00 0.00 H new ATOM 0 HG21 ILE A 20 3.742 -9.046 6.202 1.00 0.00 H new ATOM 0 HG22 ILE A 20 4.250 -10.736 6.429 1.00 0.00 H new ATOM 0 HG23 ILE A 20 5.098 -9.702 5.255 1.00 0.00 H new ATOM 0 HD11 ILE A 20 2.163 -7.237 3.574 1.00 0.00 H new ATOM 0 HD12 ILE A 20 1.307 -8.368 4.649 1.00 0.00 H new ATOM 0 HD13 ILE A 20 2.889 -7.708 5.129 1.00 0.00 H new ATOM 314 N THR A 21 2.990 -11.889 1.583 1.00 0.00 N ATOM 315 CA THR A 21 2.031 -12.348 0.515 1.00 0.00 C ATOM 316 C THR A 21 2.541 -13.619 -0.180 1.00 0.00 C ATOM 317 O THR A 21 1.824 -14.237 -0.941 1.00 0.00 O ATOM 318 CB THR A 21 1.867 -11.239 -0.537 1.00 0.00 C ATOM 319 OG1 THR A 21 3.139 -10.918 -1.083 1.00 0.00 O ATOM 320 CG2 THR A 21 1.251 -9.983 0.101 1.00 0.00 C ATOM 0 H THR A 21 3.820 -11.405 1.241 1.00 0.00 H new ATOM 0 HA THR A 21 1.075 -12.568 0.990 1.00 0.00 H new ATOM 0 HB THR A 21 1.204 -11.594 -1.326 1.00 0.00 H new ATOM 0 HG1 THR A 21 3.594 -10.276 -0.498 1.00 0.00 H new ATOM 0 HG21 THR A 21 1.141 -9.207 -0.656 1.00 0.00 H new ATOM 0 HG22 THR A 21 0.273 -10.228 0.515 1.00 0.00 H new ATOM 0 HG23 THR A 21 1.902 -9.623 0.898 1.00 0.00 H new ATOM 328 N GLN A 22 3.766 -14.013 0.053 1.00 0.00 N ATOM 329 CA GLN A 22 4.294 -15.246 -0.615 1.00 0.00 C ATOM 330 C GLN A 22 3.971 -16.501 0.208 1.00 0.00 C ATOM 331 O GLN A 22 3.551 -17.512 -0.323 1.00 0.00 O ATOM 332 CB GLN A 22 5.811 -15.125 -0.774 1.00 0.00 C ATOM 333 CG GLN A 22 6.134 -14.101 -1.869 1.00 0.00 C ATOM 334 CD GLN A 22 5.925 -14.731 -3.251 1.00 0.00 C ATOM 335 OE1 GLN A 22 5.015 -14.365 -3.966 1.00 0.00 O ATOM 336 NE2 GLN A 22 6.739 -15.664 -3.664 1.00 0.00 N ATOM 0 H GLN A 22 4.423 -13.539 0.673 1.00 0.00 H new ATOM 0 HA GLN A 22 3.818 -15.340 -1.591 1.00 0.00 H new ATOM 0 HB2 GLN A 22 6.262 -14.818 0.170 1.00 0.00 H new ATOM 0 HB3 GLN A 22 6.238 -16.094 -1.031 1.00 0.00 H new ATOM 0 HG2 GLN A 22 5.495 -13.224 -1.759 1.00 0.00 H new ATOM 0 HG3 GLN A 22 7.164 -13.760 -1.767 1.00 0.00 H new ATOM 0 HE21 GLN A 22 7.505 -15.974 -3.066 1.00 0.00 H new ATOM 0 HE22 GLN A 22 6.609 -16.083 -4.585 1.00 0.00 H new ATOM 345 N ASN A 23 4.199 -16.455 1.496 1.00 0.00 N ATOM 346 CA ASN A 23 3.946 -17.656 2.363 1.00 0.00 C ATOM 347 C ASN A 23 2.618 -17.519 3.119 1.00 0.00 C ATOM 348 O ASN A 23 2.456 -18.057 4.196 1.00 0.00 O ATOM 349 CB ASN A 23 5.095 -17.795 3.367 1.00 0.00 C ATOM 350 CG ASN A 23 5.000 -16.697 4.429 1.00 0.00 C ATOM 351 OD1 ASN A 23 4.266 -15.743 4.269 1.00 0.00 O ATOM 352 ND2 ASN A 23 5.716 -16.796 5.515 1.00 0.00 N ATOM 0 H ASN A 23 4.551 -15.635 1.991 1.00 0.00 H new ATOM 0 HA ASN A 23 3.888 -18.541 1.729 1.00 0.00 H new ATOM 0 HB2 ASN A 23 5.057 -18.775 3.842 1.00 0.00 H new ATOM 0 HB3 ASN A 23 6.052 -17.729 2.849 1.00 0.00 H new ATOM 0 HD21 ASN A 23 5.660 -16.072 6.231 1.00 0.00 H new ATOM 0 HD22 ASN A 23 6.332 -17.598 5.648 1.00 0.00 H new ATOM 359 N GLN A 24 1.674 -16.801 2.579 1.00 0.00 N ATOM 360 CA GLN A 24 0.368 -16.629 3.282 1.00 0.00 C ATOM 361 C GLN A 24 -0.523 -17.859 3.056 1.00 0.00 C ATOM 362 O GLN A 24 -0.703 -18.318 1.946 1.00 0.00 O ATOM 363 CB GLN A 24 -0.323 -15.355 2.761 1.00 0.00 C ATOM 364 CG GLN A 24 -1.013 -15.611 1.409 1.00 0.00 C ATOM 365 CD GLN A 24 -0.034 -16.294 0.448 1.00 0.00 C ATOM 366 OE1 GLN A 24 1.134 -15.972 0.426 1.00 0.00 O ATOM 367 NE2 GLN A 24 -0.463 -17.230 -0.357 1.00 0.00 N ATOM 0 H GLN A 24 1.748 -16.324 1.680 1.00 0.00 H new ATOM 0 HA GLN A 24 0.541 -16.529 4.354 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -1.059 -15.013 3.489 1.00 0.00 H new ATOM 0 HB3 GLN A 24 0.412 -14.558 2.652 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -1.893 -16.238 1.552 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -1.358 -14.669 0.982 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -1.445 -17.505 -0.342 1.00 0.00 H new ATOM 0 HE22 GLN A 24 0.184 -17.686 -1.000 1.00 0.00 H new ATOM 376 N LYS A 25 -1.084 -18.392 4.109 1.00 0.00 N ATOM 377 CA LYS A 25 -1.969 -19.589 3.977 1.00 0.00 C ATOM 378 C LYS A 25 -3.410 -19.129 3.742 1.00 0.00 C ATOM 379 O LYS A 25 -3.898 -19.126 2.629 1.00 0.00 O ATOM 380 CB LYS A 25 -1.882 -20.411 5.264 1.00 0.00 C ATOM 381 CG LYS A 25 -2.749 -21.666 5.155 1.00 0.00 C ATOM 382 CD LYS A 25 -2.635 -22.459 6.458 1.00 0.00 C ATOM 383 CE LYS A 25 -3.479 -23.728 6.368 1.00 0.00 C ATOM 384 NZ LYS A 25 -3.260 -24.552 7.591 1.00 0.00 N ATOM 0 H LYS A 25 -0.967 -18.048 5.062 1.00 0.00 H new ATOM 0 HA LYS A 25 -1.651 -20.202 3.133 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -0.846 -20.692 5.454 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -2.209 -19.808 6.111 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -3.788 -21.392 4.970 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -2.425 -22.276 4.312 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -1.593 -22.717 6.647 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -2.969 -21.848 7.296 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -4.534 -23.471 6.273 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -3.208 -24.297 5.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -3.833 -25.418 7.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -2.254 -24.807 7.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -3.539 -24.007 8.431 1.00 0.00 H new ATOM 398 N ALA A 26 -4.094 -18.736 4.781 1.00 0.00 N ATOM 399 CA ALA A 26 -5.500 -18.273 4.615 1.00 0.00 C ATOM 400 C ALA A 26 -5.479 -16.841 4.055 1.00 0.00 C ATOM 401 O ALA A 26 -4.488 -16.148 4.172 1.00 0.00 O ATOM 402 CB ALA A 26 -6.196 -18.305 5.992 1.00 0.00 C ATOM 0 H ALA A 26 -3.740 -18.716 5.737 1.00 0.00 H new ATOM 0 HA ALA A 26 -6.045 -18.919 3.927 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -7.227 -17.968 5.886 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -6.185 -19.323 6.382 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -5.668 -17.646 6.682 1.00 0.00 H new ATOM 408 N PRO A 27 -6.554 -16.389 3.447 1.00 0.00 N ATOM 409 CA PRO A 27 -6.583 -15.014 2.887 1.00 0.00 C ATOM 410 C PRO A 27 -6.007 -13.982 3.870 1.00 0.00 C ATOM 411 O PRO A 27 -5.928 -14.219 5.059 1.00 0.00 O ATOM 412 CB PRO A 27 -8.087 -14.795 2.627 1.00 0.00 C ATOM 413 CG PRO A 27 -8.806 -16.157 2.753 1.00 0.00 C ATOM 414 CD PRO A 27 -7.795 -17.199 3.273 1.00 0.00 C ATOM 0 HA PRO A 27 -5.970 -14.895 1.993 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -8.496 -14.082 3.343 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -8.243 -14.374 1.634 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -9.652 -16.077 3.436 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -9.204 -16.466 1.787 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -8.121 -17.647 4.211 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -7.651 -18.014 2.563 1.00 0.00 H new ATOM 422 N LEU A 28 -5.599 -12.846 3.378 1.00 0.00 N ATOM 423 CA LEU A 28 -5.022 -11.805 4.275 1.00 0.00 C ATOM 424 C LEU A 28 -6.083 -11.355 5.280 1.00 0.00 C ATOM 425 O LEU A 28 -5.793 -11.096 6.431 1.00 0.00 O ATOM 426 CB LEU A 28 -4.561 -10.610 3.436 1.00 0.00 C ATOM 427 CG LEU A 28 -3.450 -11.047 2.469 1.00 0.00 C ATOM 428 CD1 LEU A 28 -3.130 -9.886 1.524 1.00 0.00 C ATOM 429 CD2 LEU A 28 -2.181 -11.446 3.252 1.00 0.00 C ATOM 0 H LEU A 28 -5.640 -12.592 2.391 1.00 0.00 H new ATOM 0 HA LEU A 28 -4.169 -12.217 4.814 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -5.402 -10.202 2.876 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -4.196 -9.816 4.088 1.00 0.00 H new ATOM 0 HG LEU A 28 -3.789 -11.911 1.897 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -2.342 -10.186 0.833 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -4.024 -9.618 0.961 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -2.796 -9.026 2.104 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -1.403 -11.753 2.553 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -1.830 -10.594 3.834 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -2.413 -12.273 3.923 1.00 0.00 H new ATOM 441 N CYS A 29 -7.314 -11.262 4.853 1.00 0.00 N ATOM 442 CA CYS A 29 -8.405 -10.830 5.777 1.00 0.00 C ATOM 443 C CYS A 29 -9.691 -11.576 5.421 1.00 0.00 C ATOM 444 O CYS A 29 -9.742 -12.321 4.463 1.00 0.00 O ATOM 445 CB CYS A 29 -8.634 -9.326 5.624 1.00 0.00 C ATOM 446 SG CYS A 29 -7.224 -8.431 6.320 1.00 0.00 S ATOM 0 H CYS A 29 -7.613 -11.467 3.900 1.00 0.00 H new ATOM 0 HA CYS A 29 -8.123 -11.053 6.806 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -8.757 -9.071 4.572 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -9.552 -9.033 6.133 1.00 0.00 H new ATOM 451 N ASN A 30 -10.727 -11.391 6.190 1.00 0.00 N ATOM 452 CA ASN A 30 -12.003 -12.097 5.900 1.00 0.00 C ATOM 453 C ASN A 30 -12.601 -11.579 4.590 1.00 0.00 C ATOM 454 O ASN A 30 -13.737 -11.151 4.541 1.00 0.00 O ATOM 455 CB ASN A 30 -12.985 -11.856 7.047 1.00 0.00 C ATOM 456 CG ASN A 30 -14.194 -12.777 6.884 1.00 0.00 C ATOM 457 OD1 ASN A 30 -14.153 -13.722 6.123 1.00 0.00 O ATOM 458 ND2 ASN A 30 -15.278 -12.539 7.569 1.00 0.00 N ATOM 0 H ASN A 30 -10.744 -10.781 7.007 1.00 0.00 H new ATOM 0 HA ASN A 30 -11.811 -13.165 5.802 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -12.497 -12.044 8.003 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -13.306 -10.814 7.053 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -16.091 -13.147 7.465 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -15.313 -11.745 8.209 1.00 0.00 H new ATOM 465 N GLY A 31 -11.851 -11.627 3.523 1.00 0.00 N ATOM 466 CA GLY A 31 -12.386 -11.152 2.218 1.00 0.00 C ATOM 467 C GLY A 31 -12.525 -9.627 2.227 1.00 0.00 C ATOM 468 O GLY A 31 -13.367 -9.072 1.549 1.00 0.00 O ATOM 0 H GLY A 31 -10.892 -11.974 3.500 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -11.721 -11.459 1.411 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -13.355 -11.612 2.025 1.00 0.00 H new ATOM 472 N SER A 32 -11.705 -8.943 2.977 1.00 0.00 N ATOM 473 CA SER A 32 -11.798 -7.457 3.009 1.00 0.00 C ATOM 474 C SER A 32 -11.557 -6.919 1.598 1.00 0.00 C ATOM 475 O SER A 32 -10.816 -7.498 0.827 1.00 0.00 O ATOM 476 CB SER A 32 -10.741 -6.899 3.959 1.00 0.00 C ATOM 477 OG SER A 32 -10.968 -7.416 5.262 1.00 0.00 O ATOM 0 H SER A 32 -10.978 -9.347 3.567 1.00 0.00 H new ATOM 0 HA SER A 32 -12.785 -7.153 3.357 1.00 0.00 H new ATOM 0 HB2 SER A 32 -9.744 -7.173 3.614 1.00 0.00 H new ATOM 0 HB3 SER A 32 -10.786 -5.810 3.973 1.00 0.00 H new ATOM 0 HG SER A 32 -10.311 -7.038 5.883 1.00 0.00 H new ATOM 483 N MET A 33 -12.187 -5.825 1.248 1.00 0.00 N ATOM 484 CA MET A 33 -12.010 -5.253 -0.125 1.00 0.00 C ATOM 485 C MET A 33 -11.652 -3.767 -0.009 1.00 0.00 C ATOM 486 O MET A 33 -11.998 -3.113 0.954 1.00 0.00 O ATOM 487 CB MET A 33 -13.323 -5.403 -0.894 1.00 0.00 C ATOM 488 CG MET A 33 -13.690 -6.886 -0.990 1.00 0.00 C ATOM 489 SD MET A 33 -15.245 -7.068 -1.901 1.00 0.00 S ATOM 490 CE MET A 33 -14.642 -6.497 -3.509 1.00 0.00 C ATOM 0 H MET A 33 -12.818 -5.301 1.855 1.00 0.00 H new ATOM 0 HA MET A 33 -11.212 -5.778 -0.650 1.00 0.00 H new ATOM 0 HB2 MET A 33 -14.117 -4.852 -0.390 1.00 0.00 H new ATOM 0 HB3 MET A 33 -13.223 -4.976 -1.892 1.00 0.00 H new ATOM 0 HG2 MET A 33 -12.895 -7.436 -1.494 1.00 0.00 H new ATOM 0 HG3 MET A 33 -13.789 -7.312 0.008 1.00 0.00 H new ATOM 0 HE1 MET A 33 -15.014 -7.157 -4.292 1.00 0.00 H new ATOM 0 HE2 MET A 33 -14.996 -5.482 -3.691 1.00 0.00 H new ATOM 0 HE3 MET A 33 -13.552 -6.507 -3.513 1.00 0.00 H new ATOM 500 N VAL A 34 -10.953 -3.234 -0.983 1.00 0.00 N ATOM 501 CA VAL A 34 -10.552 -1.787 -0.943 1.00 0.00 C ATOM 502 C VAL A 34 -10.922 -1.111 -2.265 1.00 0.00 C ATOM 503 O VAL A 34 -11.159 -1.762 -3.262 1.00 0.00 O ATOM 504 CB VAL A 34 -9.040 -1.684 -0.736 1.00 0.00 C ATOM 505 CG1 VAL A 34 -8.699 -2.023 0.714 1.00 0.00 C ATOM 506 CG2 VAL A 34 -8.333 -2.667 -1.672 1.00 0.00 C ATOM 0 H VAL A 34 -10.640 -3.741 -1.811 1.00 0.00 H new ATOM 0 HA VAL A 34 -11.073 -1.294 -0.123 1.00 0.00 H new ATOM 0 HB VAL A 34 -8.709 -0.669 -0.956 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -7.621 -1.950 0.861 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -9.205 -1.324 1.380 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -9.027 -3.038 0.937 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -7.255 -2.596 -1.527 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -8.663 -3.682 -1.450 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -8.577 -2.424 -2.706 1.00 0.00 H new ATOM 516 N TRP A 35 -10.973 0.194 -2.276 1.00 0.00 N ATOM 517 CA TRP A 35 -11.327 0.923 -3.529 1.00 0.00 C ATOM 518 C TRP A 35 -10.149 0.863 -4.502 1.00 0.00 C ATOM 519 O TRP A 35 -9.022 1.135 -4.137 1.00 0.00 O ATOM 520 CB TRP A 35 -11.601 2.392 -3.207 1.00 0.00 C ATOM 521 CG TRP A 35 -12.872 2.530 -2.437 1.00 0.00 C ATOM 522 CD1 TRP A 35 -12.958 2.564 -1.090 1.00 0.00 C ATOM 523 CD2 TRP A 35 -14.232 2.671 -2.940 1.00 0.00 C ATOM 524 NE1 TRP A 35 -14.285 2.716 -0.730 1.00 0.00 N ATOM 525 CE2 TRP A 35 -15.110 2.786 -1.837 1.00 0.00 C ATOM 526 CE3 TRP A 35 -14.783 2.707 -4.231 1.00 0.00 C ATOM 527 CZ2 TRP A 35 -16.487 2.934 -2.010 1.00 0.00 C ATOM 528 CZ3 TRP A 35 -16.168 2.856 -4.410 1.00 0.00 C ATOM 529 CH2 TRP A 35 -17.018 2.969 -3.301 1.00 0.00 C ATOM 0 H TRP A 35 -10.784 0.789 -1.469 1.00 0.00 H new ATOM 0 HA TRP A 35 -12.210 0.461 -3.970 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -10.773 2.805 -2.631 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -11.664 2.967 -4.131 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -12.126 2.485 -0.405 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -14.614 2.770 0.234 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -14.137 2.620 -5.092 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -17.137 3.021 -1.152 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -16.581 2.884 -5.408 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -18.082 3.083 -3.445 1.00 0.00 H new ATOM 540 N SER A 36 -10.396 0.534 -5.740 1.00 0.00 N ATOM 541 CA SER A 36 -9.281 0.490 -6.724 1.00 0.00 C ATOM 542 C SER A 36 -8.823 1.924 -6.990 1.00 0.00 C ATOM 543 O SER A 36 -9.623 2.838 -7.021 1.00 0.00 O ATOM 544 CB SER A 36 -9.766 -0.149 -8.027 1.00 0.00 C ATOM 545 OG SER A 36 -8.694 -0.188 -8.958 1.00 0.00 O ATOM 0 H SER A 36 -11.316 0.295 -6.110 1.00 0.00 H new ATOM 0 HA SER A 36 -8.455 -0.103 -6.332 1.00 0.00 H new ATOM 0 HB2 SER A 36 -10.134 -1.157 -7.836 1.00 0.00 H new ATOM 0 HB3 SER A 36 -10.599 0.422 -8.438 1.00 0.00 H new ATOM 0 HG SER A 36 -9.001 -0.598 -9.793 1.00 0.00 H new ATOM 551 N ILE A 37 -7.544 2.133 -7.173 1.00 0.00 N ATOM 552 CA ILE A 37 -7.024 3.518 -7.426 1.00 0.00 C ATOM 553 C ILE A 37 -6.118 3.514 -8.655 1.00 0.00 C ATOM 554 O ILE A 37 -5.723 2.475 -9.143 1.00 0.00 O ATOM 555 CB ILE A 37 -6.221 3.995 -6.207 1.00 0.00 C ATOM 556 CG1 ILE A 37 -5.072 3.015 -5.908 1.00 0.00 C ATOM 557 CG2 ILE A 37 -7.150 4.081 -4.991 1.00 0.00 C ATOM 558 CD1 ILE A 37 -4.071 3.679 -4.960 1.00 0.00 C ATOM 0 H ILE A 37 -6.832 1.403 -7.159 1.00 0.00 H new ATOM 0 HA ILE A 37 -7.865 4.190 -7.598 1.00 0.00 H new ATOM 0 HB ILE A 37 -5.799 4.977 -6.421 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -5.465 2.103 -5.459 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -4.576 2.726 -6.834 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -6.583 4.419 -4.123 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -7.954 4.787 -5.197 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -7.574 3.098 -4.787 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -3.257 2.986 -4.747 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -3.670 4.579 -5.427 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -4.573 3.946 -4.030 1.00 0.00 H new ATOM 570 N ASN A 38 -5.772 4.670 -9.152 1.00 0.00 N ATOM 571 CA ASN A 38 -4.874 4.725 -10.338 1.00 0.00 C ATOM 572 C ASN A 38 -3.430 4.713 -9.836 1.00 0.00 C ATOM 573 O ASN A 38 -3.041 5.523 -9.019 1.00 0.00 O ATOM 574 CB ASN A 38 -5.136 6.012 -11.128 1.00 0.00 C ATOM 575 CG ASN A 38 -6.509 5.926 -11.802 1.00 0.00 C ATOM 576 OD1 ASN A 38 -7.044 4.849 -11.977 1.00 0.00 O ATOM 577 ND2 ASN A 38 -7.108 7.023 -12.189 1.00 0.00 N ATOM 0 H ASN A 38 -6.071 5.575 -8.789 1.00 0.00 H new ATOM 0 HA ASN A 38 -5.057 3.872 -10.992 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -5.099 6.874 -10.462 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -4.359 6.155 -11.879 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -8.023 6.974 -12.637 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -6.660 7.928 -12.043 1.00 0.00 H new ATOM 584 N LEU A 39 -2.636 3.794 -10.304 1.00 0.00 N ATOM 585 CA LEU A 39 -1.226 3.725 -9.835 1.00 0.00 C ATOM 586 C LEU A 39 -0.394 4.774 -10.584 1.00 0.00 C ATOM 587 O LEU A 39 -0.174 4.671 -11.774 1.00 0.00 O ATOM 588 CB LEU A 39 -0.671 2.323 -10.118 1.00 0.00 C ATOM 589 CG LEU A 39 -1.331 1.271 -9.200 1.00 0.00 C ATOM 590 CD1 LEU A 39 -0.978 1.537 -7.725 1.00 0.00 C ATOM 591 CD2 LEU A 39 -2.859 1.285 -9.379 1.00 0.00 C ATOM 0 H LEU A 39 -2.902 3.088 -10.990 1.00 0.00 H new ATOM 0 HA LEU A 39 -1.179 3.924 -8.764 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -0.847 2.062 -11.162 1.00 0.00 H new ATOM 0 HB3 LEU A 39 0.408 2.318 -9.966 1.00 0.00 H new ATOM 0 HG LEU A 39 -0.948 0.290 -9.481 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -1.453 0.784 -7.096 1.00 0.00 H new ATOM 0 HD12 LEU A 39 0.103 1.489 -7.595 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -1.334 2.527 -7.439 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -3.309 0.538 -8.725 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -3.246 2.271 -9.123 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -3.106 1.056 -10.416 1.00 0.00 H new ATOM 603 N THR A 40 0.066 5.790 -9.893 1.00 0.00 N ATOM 604 CA THR A 40 0.880 6.857 -10.560 1.00 0.00 C ATOM 605 C THR A 40 1.986 7.340 -9.610 1.00 0.00 C ATOM 606 O THR A 40 2.845 6.583 -9.204 1.00 0.00 O ATOM 607 CB THR A 40 -0.026 8.039 -10.933 1.00 0.00 C ATOM 608 OG1 THR A 40 -0.797 8.419 -9.801 1.00 0.00 O ATOM 609 CG2 THR A 40 -0.960 7.635 -12.077 1.00 0.00 C ATOM 0 H THR A 40 -0.087 5.927 -8.894 1.00 0.00 H new ATOM 0 HA THR A 40 1.334 6.448 -11.462 1.00 0.00 H new ATOM 0 HB THR A 40 0.590 8.879 -11.253 1.00 0.00 H new ATOM 0 HG1 THR A 40 -1.375 9.175 -10.037 1.00 0.00 H new ATOM 0 HG21 THR A 40 -1.601 8.477 -12.338 1.00 0.00 H new ATOM 0 HG22 THR A 40 -0.368 7.347 -12.946 1.00 0.00 H new ATOM 0 HG23 THR A 40 -1.577 6.793 -11.763 1.00 0.00 H new ATOM 617 N ALA A 41 1.986 8.605 -9.275 1.00 0.00 N ATOM 618 CA ALA A 41 3.047 9.154 -8.378 1.00 0.00 C ATOM 619 C ALA A 41 2.630 9.054 -6.903 1.00 0.00 C ATOM 620 O ALA A 41 3.123 8.222 -6.166 1.00 0.00 O ATOM 621 CB ALA A 41 3.284 10.621 -8.740 1.00 0.00 C ATOM 0 H ALA A 41 1.292 9.285 -9.586 1.00 0.00 H new ATOM 0 HA ALA A 41 3.959 8.573 -8.514 1.00 0.00 H new ATOM 0 HB1 ALA A 41 4.057 11.035 -8.093 1.00 0.00 H new ATOM 0 HB2 ALA A 41 3.605 10.692 -9.779 1.00 0.00 H new ATOM 0 HB3 ALA A 41 2.359 11.183 -8.606 1.00 0.00 H new ATOM 627 N GLY A 42 1.751 9.918 -6.464 1.00 0.00 N ATOM 628 CA GLY A 42 1.317 9.906 -5.030 1.00 0.00 C ATOM 629 C GLY A 42 0.582 8.604 -4.691 1.00 0.00 C ATOM 630 O GLY A 42 -0.446 8.613 -4.043 1.00 0.00 O ATOM 0 H GLY A 42 1.311 10.637 -7.039 1.00 0.00 H new ATOM 0 HA2 GLY A 42 2.186 10.017 -4.382 1.00 0.00 H new ATOM 0 HA3 GLY A 42 0.665 10.757 -4.836 1.00 0.00 H new ATOM 634 N MET A 43 1.102 7.488 -5.118 1.00 0.00 N ATOM 635 CA MET A 43 0.443 6.183 -4.818 1.00 0.00 C ATOM 636 C MET A 43 0.439 5.935 -3.308 1.00 0.00 C ATOM 637 O MET A 43 -0.507 5.410 -2.756 1.00 0.00 O ATOM 638 CB MET A 43 1.218 5.056 -5.494 1.00 0.00 C ATOM 639 CG MET A 43 1.080 5.189 -7.008 1.00 0.00 C ATOM 640 SD MET A 43 1.934 3.818 -7.829 1.00 0.00 S ATOM 641 CE MET A 43 3.595 4.159 -7.201 1.00 0.00 C ATOM 0 H MET A 43 1.960 7.421 -5.665 1.00 0.00 H new ATOM 0 HA MET A 43 -0.582 6.211 -5.189 1.00 0.00 H new ATOM 0 HB2 MET A 43 2.269 5.099 -5.208 1.00 0.00 H new ATOM 0 HB3 MET A 43 0.837 4.089 -5.166 1.00 0.00 H new ATOM 0 HG2 MET A 43 0.026 5.191 -7.287 1.00 0.00 H new ATOM 0 HG3 MET A 43 1.499 6.140 -7.338 1.00 0.00 H new ATOM 0 HE1 MET A 43 4.329 3.942 -7.977 1.00 0.00 H new ATOM 0 HE2 MET A 43 3.668 5.208 -6.916 1.00 0.00 H new ATOM 0 HE3 MET A 43 3.791 3.532 -6.331 1.00 0.00 H new ATOM 651 N TYR A 44 1.506 6.281 -2.642 1.00 0.00 N ATOM 652 CA TYR A 44 1.582 6.034 -1.175 1.00 0.00 C ATOM 653 C TYR A 44 0.406 6.716 -0.472 1.00 0.00 C ATOM 654 O TYR A 44 -0.286 6.111 0.322 1.00 0.00 O ATOM 655 CB TYR A 44 2.895 6.608 -0.633 1.00 0.00 C ATOM 656 CG TYR A 44 4.066 5.848 -1.215 1.00 0.00 C ATOM 657 CD1 TYR A 44 4.612 6.245 -2.441 1.00 0.00 C ATOM 658 CD2 TYR A 44 4.603 4.747 -0.533 1.00 0.00 C ATOM 659 CE1 TYR A 44 5.693 5.545 -2.987 1.00 0.00 C ATOM 660 CE2 TYR A 44 5.686 4.046 -1.081 1.00 0.00 C ATOM 661 CZ TYR A 44 6.230 4.446 -2.308 1.00 0.00 C ATOM 662 OH TYR A 44 7.295 3.760 -2.851 1.00 0.00 O ATOM 0 H TYR A 44 2.329 6.724 -3.051 1.00 0.00 H new ATOM 0 HA TYR A 44 1.541 4.961 -0.988 1.00 0.00 H new ATOM 0 HB2 TYR A 44 2.973 7.665 -0.888 1.00 0.00 H new ATOM 0 HB3 TYR A 44 2.910 6.540 0.455 1.00 0.00 H new ATOM 0 HD1 TYR A 44 4.198 7.093 -2.966 1.00 0.00 H new ATOM 0 HD2 TYR A 44 4.183 4.439 0.413 1.00 0.00 H new ATOM 0 HE1 TYR A 44 6.113 5.853 -3.933 1.00 0.00 H new ATOM 0 HE2 TYR A 44 6.101 3.198 -0.557 1.00 0.00 H new ATOM 0 HH TYR A 44 7.840 4.373 -3.387 1.00 0.00 H new ATOM 672 N CYS A 45 0.168 7.964 -0.755 1.00 0.00 N ATOM 673 CA CYS A 45 -0.970 8.664 -0.098 1.00 0.00 C ATOM 674 C CYS A 45 -2.291 8.065 -0.596 1.00 0.00 C ATOM 675 O CYS A 45 -3.170 7.746 0.179 1.00 0.00 O ATOM 676 CB CYS A 45 -0.922 10.156 -0.437 1.00 0.00 C ATOM 677 SG CYS A 45 0.533 10.930 0.325 1.00 0.00 S ATOM 0 H CYS A 45 0.709 8.529 -1.410 1.00 0.00 H new ATOM 0 HA CYS A 45 -0.898 8.539 0.982 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -0.889 10.289 -1.518 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -1.830 10.645 -0.084 1.00 0.00 H new ATOM 682 N ALA A 46 -2.437 7.916 -1.887 1.00 0.00 N ATOM 683 CA ALA A 46 -3.701 7.342 -2.437 1.00 0.00 C ATOM 684 C ALA A 46 -3.901 5.923 -1.897 1.00 0.00 C ATOM 685 O ALA A 46 -4.965 5.562 -1.432 1.00 0.00 O ATOM 686 CB ALA A 46 -3.620 7.301 -3.965 1.00 0.00 C ATOM 0 H ALA A 46 -1.736 8.167 -2.584 1.00 0.00 H new ATOM 0 HA ALA A 46 -4.543 7.965 -2.133 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -4.542 6.882 -4.367 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -3.483 8.312 -4.349 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -2.777 6.680 -4.268 1.00 0.00 H new ATOM 692 N ALA A 47 -2.887 5.113 -1.953 1.00 0.00 N ATOM 693 CA ALA A 47 -3.022 3.726 -1.436 1.00 0.00 C ATOM 694 C ALA A 47 -3.314 3.777 0.065 1.00 0.00 C ATOM 695 O ALA A 47 -4.050 2.968 0.593 1.00 0.00 O ATOM 696 CB ALA A 47 -1.721 2.956 -1.678 1.00 0.00 C ATOM 0 H ALA A 47 -1.971 5.349 -2.334 1.00 0.00 H new ATOM 0 HA ALA A 47 -3.838 3.221 -1.953 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -1.824 1.940 -1.298 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -1.511 2.924 -2.747 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -0.901 3.455 -1.162 1.00 0.00 H new ATOM 702 N LEU A 48 -2.724 4.714 0.758 1.00 0.00 N ATOM 703 CA LEU A 48 -2.944 4.812 2.230 1.00 0.00 C ATOM 704 C LEU A 48 -4.431 5.034 2.545 1.00 0.00 C ATOM 705 O LEU A 48 -4.996 4.340 3.362 1.00 0.00 O ATOM 706 CB LEU A 48 -2.100 5.968 2.785 1.00 0.00 C ATOM 707 CG LEU A 48 -2.296 6.107 4.302 1.00 0.00 C ATOM 708 CD1 LEU A 48 -1.875 4.807 5.009 1.00 0.00 C ATOM 709 CD2 LEU A 48 -1.433 7.274 4.802 1.00 0.00 C ATOM 0 H LEU A 48 -2.098 5.418 0.367 1.00 0.00 H new ATOM 0 HA LEU A 48 -2.640 3.878 2.702 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -1.047 5.794 2.564 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -2.380 6.898 2.291 1.00 0.00 H new ATOM 0 HG LEU A 48 -3.346 6.298 4.523 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -2.017 4.915 6.084 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -2.484 3.980 4.643 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -0.825 4.603 4.801 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -1.561 7.386 5.879 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -0.385 7.073 4.580 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -1.739 8.193 4.303 1.00 0.00 H new ATOM 721 N GLU A 49 -5.077 5.988 1.914 1.00 0.00 N ATOM 722 CA GLU A 49 -6.526 6.222 2.221 1.00 0.00 C ATOM 723 C GLU A 49 -7.330 4.955 1.928 1.00 0.00 C ATOM 724 O GLU A 49 -8.227 4.598 2.666 1.00 0.00 O ATOM 725 CB GLU A 49 -7.085 7.392 1.394 1.00 0.00 C ATOM 726 CG GLU A 49 -6.636 7.285 -0.060 1.00 0.00 C ATOM 727 CD GLU A 49 -7.273 8.420 -0.867 1.00 0.00 C ATOM 728 OE1 GLU A 49 -8.317 8.898 -0.457 1.00 0.00 O ATOM 729 OE2 GLU A 49 -6.701 8.799 -1.873 1.00 0.00 O ATOM 0 H GLU A 49 -4.672 6.606 1.211 1.00 0.00 H new ATOM 0 HA GLU A 49 -6.613 6.475 3.278 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -8.174 7.393 1.445 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -6.746 8.338 1.816 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -5.549 7.343 -0.123 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -6.928 6.320 -0.474 1.00 0.00 H new ATOM 736 N SER A 50 -7.018 4.266 0.867 1.00 0.00 N ATOM 737 CA SER A 50 -7.775 3.021 0.551 1.00 0.00 C ATOM 738 C SER A 50 -7.615 2.033 1.713 1.00 0.00 C ATOM 739 O SER A 50 -8.547 1.355 2.100 1.00 0.00 O ATOM 740 CB SER A 50 -7.222 2.399 -0.736 1.00 0.00 C ATOM 741 OG SER A 50 -7.569 3.220 -1.844 1.00 0.00 O ATOM 0 H SER A 50 -6.277 4.507 0.208 1.00 0.00 H new ATOM 0 HA SER A 50 -8.830 3.254 0.410 1.00 0.00 H new ATOM 0 HB2 SER A 50 -6.139 2.299 -0.668 1.00 0.00 H new ATOM 0 HB3 SER A 50 -7.627 1.396 -0.871 1.00 0.00 H new ATOM 0 HG SER A 50 -7.509 2.697 -2.670 1.00 0.00 H new ATOM 747 N LEU A 51 -6.441 1.952 2.272 1.00 0.00 N ATOM 748 CA LEU A 51 -6.210 1.017 3.413 1.00 0.00 C ATOM 749 C LEU A 51 -6.957 1.510 4.661 1.00 0.00 C ATOM 750 O LEU A 51 -7.512 0.729 5.410 1.00 0.00 O ATOM 751 CB LEU A 51 -4.709 0.948 3.706 1.00 0.00 C ATOM 752 CG LEU A 51 -3.981 0.261 2.539 1.00 0.00 C ATOM 753 CD1 LEU A 51 -2.469 0.419 2.724 1.00 0.00 C ATOM 754 CD2 LEU A 51 -4.342 -1.240 2.482 1.00 0.00 C ATOM 0 H LEU A 51 -5.626 2.495 1.988 1.00 0.00 H new ATOM 0 HA LEU A 51 -6.582 0.027 3.150 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -4.312 1.952 3.854 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -4.535 0.397 4.630 1.00 0.00 H new ATOM 0 HG LEU A 51 -4.292 0.728 1.605 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -1.949 -0.067 1.899 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -2.213 1.478 2.741 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -2.167 -0.042 3.665 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -3.817 -1.709 1.650 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -4.047 -1.721 3.415 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -5.417 -1.351 2.341 1.00 0.00 H new ATOM 766 N ILE A 52 -6.973 2.798 4.895 1.00 0.00 N ATOM 767 CA ILE A 52 -7.677 3.335 6.100 1.00 0.00 C ATOM 768 C ILE A 52 -9.115 2.807 6.130 1.00 0.00 C ATOM 769 O ILE A 52 -9.786 2.874 7.142 1.00 0.00 O ATOM 770 CB ILE A 52 -7.683 4.875 6.050 1.00 0.00 C ATOM 771 CG1 ILE A 52 -6.253 5.422 6.254 1.00 0.00 C ATOM 772 CG2 ILE A 52 -8.616 5.441 7.126 1.00 0.00 C ATOM 773 CD1 ILE A 52 -5.662 4.976 7.605 1.00 0.00 C ATOM 0 H ILE A 52 -6.529 3.501 4.304 1.00 0.00 H new ATOM 0 HA ILE A 52 -7.158 3.009 7.001 1.00 0.00 H new ATOM 0 HB ILE A 52 -8.046 5.187 5.071 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -5.611 5.076 5.444 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -6.269 6.511 6.205 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -8.609 6.530 7.077 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -9.629 5.077 6.957 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -8.274 5.119 8.110 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -4.655 5.380 7.713 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -6.290 5.345 8.416 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -5.622 3.887 7.643 1.00 0.00 H new ATOM 785 N ASN A 53 -9.595 2.275 5.040 1.00 0.00 N ATOM 786 CA ASN A 53 -10.987 1.737 5.026 1.00 0.00 C ATOM 787 C ASN A 53 -10.977 0.300 5.551 1.00 0.00 C ATOM 788 O ASN A 53 -11.999 -0.246 5.913 1.00 0.00 O ATOM 789 CB ASN A 53 -11.532 1.759 3.593 1.00 0.00 C ATOM 790 CG ASN A 53 -11.924 3.191 3.217 1.00 0.00 C ATOM 791 OD1 ASN A 53 -12.341 3.958 4.062 1.00 0.00 O ATOM 792 ND2 ASN A 53 -11.809 3.586 1.979 1.00 0.00 N ATOM 0 H ASN A 53 -9.086 2.189 4.160 1.00 0.00 H new ATOM 0 HA ASN A 53 -11.624 2.353 5.661 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -10.779 1.383 2.900 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -12.397 1.101 3.511 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -12.069 4.538 1.721 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -11.459 2.943 1.269 1.00 0.00 H new ATOM 799 N VAL A 54 -9.825 -0.316 5.606 1.00 0.00 N ATOM 800 CA VAL A 54 -9.744 -1.715 6.119 1.00 0.00 C ATOM 801 C VAL A 54 -9.457 -1.679 7.622 1.00 0.00 C ATOM 802 O VAL A 54 -8.464 -1.130 8.055 1.00 0.00 O ATOM 803 CB VAL A 54 -8.616 -2.450 5.396 1.00 0.00 C ATOM 804 CG1 VAL A 54 -8.685 -3.945 5.714 1.00 0.00 C ATOM 805 CG2 VAL A 54 -8.763 -2.240 3.888 1.00 0.00 C ATOM 0 H VAL A 54 -8.935 0.091 5.317 1.00 0.00 H new ATOM 0 HA VAL A 54 -10.686 -2.234 5.941 1.00 0.00 H new ATOM 0 HB VAL A 54 -7.655 -2.058 5.729 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -7.879 -4.465 5.196 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -8.581 -4.094 6.789 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -9.644 -4.343 5.384 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -7.960 -2.763 3.368 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -9.725 -2.632 3.558 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -8.709 -1.175 3.662 1.00 0.00 H new ATOM 815 N SER A 55 -10.326 -2.252 8.420 1.00 0.00 N ATOM 816 CA SER A 55 -10.122 -2.250 9.905 1.00 0.00 C ATOM 817 C SER A 55 -10.247 -3.675 10.442 1.00 0.00 C ATOM 818 O SER A 55 -10.976 -4.489 9.911 1.00 0.00 O ATOM 819 CB SER A 55 -11.187 -1.367 10.554 1.00 0.00 C ATOM 820 OG SER A 55 -10.924 -0.007 10.232 1.00 0.00 O ATOM 0 H SER A 55 -11.173 -2.724 8.105 1.00 0.00 H new ATOM 0 HA SER A 55 -9.130 -1.864 10.138 1.00 0.00 H new ATOM 0 HB2 SER A 55 -12.178 -1.652 10.201 1.00 0.00 H new ATOM 0 HB3 SER A 55 -11.182 -1.505 11.635 1.00 0.00 H new ATOM 0 HG SER A 55 -11.605 0.564 10.644 1.00 0.00 H new ATOM 826 N GLY A 56 -9.538 -3.982 11.497 1.00 0.00 N ATOM 827 CA GLY A 56 -9.604 -5.356 12.082 1.00 0.00 C ATOM 828 C GLY A 56 -8.446 -6.203 11.549 1.00 0.00 C ATOM 829 O GLY A 56 -8.160 -7.267 12.062 1.00 0.00 O ATOM 0 H GLY A 56 -8.913 -3.338 11.981 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -9.556 -5.301 13.170 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -10.555 -5.824 11.829 1.00 0.00 H new ATOM 833 N CYS A 57 -7.771 -5.741 10.526 1.00 0.00 N ATOM 834 CA CYS A 57 -6.625 -6.520 9.964 1.00 0.00 C ATOM 835 C CYS A 57 -5.315 -5.982 10.545 1.00 0.00 C ATOM 836 O CYS A 57 -4.791 -4.978 10.102 1.00 0.00 O ATOM 837 CB CYS A 57 -6.607 -6.375 8.441 1.00 0.00 C ATOM 838 SG CYS A 57 -8.033 -7.238 7.735 1.00 0.00 S ATOM 0 H CYS A 57 -7.964 -4.857 10.055 1.00 0.00 H new ATOM 0 HA CYS A 57 -6.735 -7.572 10.225 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -6.633 -5.321 8.165 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -5.682 -6.787 8.037 1.00 0.00 H new ATOM 843 N SER A 58 -4.786 -6.639 11.539 1.00 0.00 N ATOM 844 CA SER A 58 -3.515 -6.170 12.156 1.00 0.00 C ATOM 845 C SER A 58 -2.355 -6.372 11.180 1.00 0.00 C ATOM 846 O SER A 58 -1.460 -5.557 11.082 1.00 0.00 O ATOM 847 CB SER A 58 -3.249 -6.963 13.434 1.00 0.00 C ATOM 848 OG SER A 58 -1.970 -6.609 13.944 1.00 0.00 O ATOM 0 H SER A 58 -5.181 -7.484 11.952 1.00 0.00 H new ATOM 0 HA SER A 58 -3.602 -5.110 12.393 1.00 0.00 H new ATOM 0 HB2 SER A 58 -4.020 -6.752 14.175 1.00 0.00 H new ATOM 0 HB3 SER A 58 -3.289 -8.033 13.228 1.00 0.00 H new ATOM 0 HG SER A 58 -1.794 -7.114 14.765 1.00 0.00 H new ATOM 854 N ALA A 59 -2.359 -7.464 10.475 1.00 0.00 N ATOM 855 CA ALA A 59 -1.255 -7.753 9.517 1.00 0.00 C ATOM 856 C ALA A 59 -0.930 -6.533 8.640 1.00 0.00 C ATOM 857 O ALA A 59 0.194 -6.370 8.209 1.00 0.00 O ATOM 858 CB ALA A 59 -1.666 -8.920 8.621 1.00 0.00 C ATOM 0 H ALA A 59 -3.086 -8.178 10.520 1.00 0.00 H new ATOM 0 HA ALA A 59 -0.363 -8.003 10.091 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -0.863 -9.138 7.917 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -1.859 -9.800 9.235 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -2.569 -8.656 8.071 1.00 0.00 H new ATOM 864 N ILE A 60 -1.893 -5.688 8.342 1.00 0.00 N ATOM 865 CA ILE A 60 -1.607 -4.504 7.458 1.00 0.00 C ATOM 866 C ILE A 60 -1.424 -3.222 8.283 1.00 0.00 C ATOM 867 O ILE A 60 -1.044 -2.196 7.754 1.00 0.00 O ATOM 868 CB ILE A 60 -2.771 -4.314 6.475 1.00 0.00 C ATOM 869 CG1 ILE A 60 -4.077 -4.054 7.236 1.00 0.00 C ATOM 870 CG2 ILE A 60 -2.928 -5.578 5.627 1.00 0.00 C ATOM 871 CD1 ILE A 60 -5.183 -3.710 6.237 1.00 0.00 C ATOM 0 H ILE A 60 -2.856 -5.764 8.668 1.00 0.00 H new ATOM 0 HA ILE A 60 -0.681 -4.696 6.917 1.00 0.00 H new ATOM 0 HB ILE A 60 -2.556 -3.458 5.836 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -4.355 -4.934 7.816 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -3.943 -3.236 7.944 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -3.754 -5.447 4.928 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -2.008 -5.760 5.072 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -3.134 -6.429 6.277 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -6.113 -3.524 6.774 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -4.903 -2.818 5.677 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -5.322 -4.542 5.547 1.00 0.00 H new ATOM 883 N GLU A 61 -1.685 -3.255 9.562 1.00 0.00 N ATOM 884 CA GLU A 61 -1.513 -2.009 10.369 1.00 0.00 C ATOM 885 C GLU A 61 -0.060 -1.546 10.282 1.00 0.00 C ATOM 886 O GLU A 61 0.220 -0.376 10.118 1.00 0.00 O ATOM 887 CB GLU A 61 -1.882 -2.277 11.833 1.00 0.00 C ATOM 888 CG GLU A 61 -3.403 -2.362 11.969 1.00 0.00 C ATOM 889 CD GLU A 61 -3.772 -2.733 13.408 1.00 0.00 C ATOM 890 OE1 GLU A 61 -2.866 -2.977 14.188 1.00 0.00 O ATOM 891 OE2 GLU A 61 -4.955 -2.769 13.703 1.00 0.00 O ATOM 0 H GLU A 61 -2.005 -4.075 10.078 1.00 0.00 H new ATOM 0 HA GLU A 61 -2.169 -1.232 9.975 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -1.424 -3.207 12.170 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -1.493 -1.481 12.469 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -3.856 -1.407 11.702 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -3.799 -3.107 11.278 1.00 0.00 H new ATOM 898 N LYS A 62 0.869 -2.454 10.364 1.00 0.00 N ATOM 899 CA LYS A 62 2.297 -2.062 10.256 1.00 0.00 C ATOM 900 C LYS A 62 2.533 -1.450 8.875 1.00 0.00 C ATOM 901 O LYS A 62 3.259 -0.487 8.719 1.00 0.00 O ATOM 902 CB LYS A 62 3.176 -3.303 10.425 1.00 0.00 C ATOM 903 CG LYS A 62 3.107 -3.781 11.878 1.00 0.00 C ATOM 904 CD LYS A 62 3.986 -5.024 12.057 1.00 0.00 C ATOM 905 CE LYS A 62 4.010 -5.430 13.534 1.00 0.00 C ATOM 906 NZ LYS A 62 2.632 -5.780 13.982 1.00 0.00 N ATOM 0 H LYS A 62 0.700 -3.451 10.501 1.00 0.00 H new ATOM 0 HA LYS A 62 2.547 -1.337 11.030 1.00 0.00 H new ATOM 0 HB2 LYS A 62 2.841 -4.094 9.754 1.00 0.00 H new ATOM 0 HB3 LYS A 62 4.206 -3.072 10.155 1.00 0.00 H new ATOM 0 HG2 LYS A 62 3.441 -2.988 12.548 1.00 0.00 H new ATOM 0 HG3 LYS A 62 2.076 -4.012 12.146 1.00 0.00 H new ATOM 0 HD2 LYS A 62 3.601 -5.844 11.451 1.00 0.00 H new ATOM 0 HD3 LYS A 62 4.999 -4.819 11.710 1.00 0.00 H new ATOM 0 HE2 LYS A 62 4.676 -6.281 13.676 1.00 0.00 H new ATOM 0 HE3 LYS A 62 4.403 -4.613 14.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 2.680 -6.290 14.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 2.075 -4.910 14.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 2.178 -6.385 13.268 1.00 0.00 H new ATOM 920 N THR A 63 1.928 -2.018 7.869 1.00 0.00 N ATOM 921 CA THR A 63 2.114 -1.496 6.491 1.00 0.00 C ATOM 922 C THR A 63 1.644 -0.040 6.417 1.00 0.00 C ATOM 923 O THR A 63 2.255 0.786 5.769 1.00 0.00 O ATOM 924 CB THR A 63 1.299 -2.350 5.520 1.00 0.00 C ATOM 925 OG1 THR A 63 1.748 -3.698 5.593 1.00 0.00 O ATOM 926 CG2 THR A 63 1.488 -1.832 4.094 1.00 0.00 C ATOM 0 H THR A 63 1.310 -2.826 7.945 1.00 0.00 H new ATOM 0 HA THR A 63 3.170 -1.540 6.224 1.00 0.00 H new ATOM 0 HB THR A 63 0.244 -2.296 5.787 1.00 0.00 H new ATOM 0 HG1 THR A 63 1.227 -4.250 4.973 1.00 0.00 H new ATOM 0 HG21 THR A 63 0.906 -2.443 3.405 1.00 0.00 H new ATOM 0 HG22 THR A 63 1.151 -0.797 4.035 1.00 0.00 H new ATOM 0 HG23 THR A 63 2.543 -1.886 3.824 1.00 0.00 H new ATOM 934 N GLN A 64 0.558 0.277 7.065 1.00 0.00 N ATOM 935 CA GLN A 64 0.042 1.677 7.024 1.00 0.00 C ATOM 936 C GLN A 64 1.086 2.638 7.600 1.00 0.00 C ATOM 937 O GLN A 64 1.296 3.721 7.089 1.00 0.00 O ATOM 938 CB GLN A 64 -1.235 1.763 7.858 1.00 0.00 C ATOM 939 CG GLN A 64 -2.357 1.005 7.150 1.00 0.00 C ATOM 940 CD GLN A 64 -3.620 1.055 8.008 1.00 0.00 C ATOM 941 OE1 GLN A 64 -3.547 1.027 9.221 1.00 0.00 O ATOM 942 NE2 GLN A 64 -4.785 1.125 7.426 1.00 0.00 N ATOM 0 H GLN A 64 0.004 -0.373 7.622 1.00 0.00 H new ATOM 0 HA GLN A 64 -0.166 1.954 5.990 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -1.065 1.341 8.848 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -1.519 2.805 8.001 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -2.550 1.447 6.173 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -2.061 -0.030 6.979 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -4.846 1.149 6.408 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -5.635 1.156 7.989 1.00 0.00 H new ATOM 951 N ARG A 65 1.740 2.253 8.661 1.00 0.00 N ATOM 952 CA ARG A 65 2.765 3.148 9.268 1.00 0.00 C ATOM 953 C ARG A 65 3.905 3.390 8.278 1.00 0.00 C ATOM 954 O ARG A 65 4.377 4.500 8.129 1.00 0.00 O ATOM 955 CB ARG A 65 3.324 2.492 10.533 1.00 0.00 C ATOM 956 CG ARG A 65 2.254 2.495 11.627 1.00 0.00 C ATOM 957 CD ARG A 65 2.766 1.738 12.853 1.00 0.00 C ATOM 958 NE ARG A 65 1.752 1.823 13.944 1.00 0.00 N ATOM 959 CZ ARG A 65 1.823 1.009 14.963 1.00 0.00 C ATOM 960 NH1 ARG A 65 2.788 0.137 15.026 1.00 0.00 N ATOM 961 NH2 ARG A 65 0.936 1.073 15.921 1.00 0.00 N ATOM 0 H ARG A 65 1.609 1.359 9.133 1.00 0.00 H new ATOM 0 HA ARG A 65 2.302 4.102 9.518 1.00 0.00 H new ATOM 0 HB2 ARG A 65 3.636 1.470 10.318 1.00 0.00 H new ATOM 0 HB3 ARG A 65 4.209 3.030 10.874 1.00 0.00 H new ATOM 0 HG2 ARG A 65 2.002 3.520 11.900 1.00 0.00 H new ATOM 0 HG3 ARG A 65 1.340 2.030 11.256 1.00 0.00 H new ATOM 0 HD2 ARG A 65 2.956 0.695 12.598 1.00 0.00 H new ATOM 0 HD3 ARG A 65 3.713 2.162 13.187 1.00 0.00 H new ATOM 0 HE ARG A 65 1.005 2.515 13.894 1.00 0.00 H new ATOM 0 HH11 ARG A 65 3.484 0.092 14.282 1.00 0.00 H new ATOM 0 HH12 ARG A 65 2.848 -0.501 15.820 1.00 0.00 H new ATOM 0 HH21 ARG A 65 0.184 1.761 15.875 1.00 0.00 H new ATOM 0 HH22 ARG A 65 0.996 0.435 16.715 1.00 0.00 H new ATOM 975 N MET A 66 4.355 2.366 7.605 1.00 0.00 N ATOM 976 CA MET A 66 5.469 2.549 6.633 1.00 0.00 C ATOM 977 C MET A 66 5.007 3.462 5.494 1.00 0.00 C ATOM 978 O MET A 66 5.738 4.316 5.033 1.00 0.00 O ATOM 979 CB MET A 66 5.889 1.186 6.074 1.00 0.00 C ATOM 980 CG MET A 66 6.463 0.330 7.209 1.00 0.00 C ATOM 981 SD MET A 66 7.318 -1.113 6.524 1.00 0.00 S ATOM 982 CE MET A 66 5.850 -2.102 6.155 1.00 0.00 C ATOM 0 H MET A 66 4.000 1.413 7.686 1.00 0.00 H new ATOM 0 HA MET A 66 6.322 3.007 7.135 1.00 0.00 H new ATOM 0 HB2 MET A 66 5.033 0.685 5.622 1.00 0.00 H new ATOM 0 HB3 MET A 66 6.633 1.316 5.288 1.00 0.00 H new ATOM 0 HG2 MET A 66 7.154 0.922 7.808 1.00 0.00 H new ATOM 0 HG3 MET A 66 5.661 0.007 7.873 1.00 0.00 H new ATOM 0 HE1 MET A 66 6.151 -3.038 5.684 1.00 0.00 H new ATOM 0 HE2 MET A 66 5.314 -2.317 7.080 1.00 0.00 H new ATOM 0 HE3 MET A 66 5.199 -1.548 5.479 1.00 0.00 H new ATOM 992 N LEU A 67 3.793 3.295 5.047 1.00 0.00 N ATOM 993 CA LEU A 67 3.271 4.156 3.946 1.00 0.00 C ATOM 994 C LEU A 67 3.272 5.615 4.402 1.00 0.00 C ATOM 995 O LEU A 67 3.567 6.514 3.639 1.00 0.00 O ATOM 996 CB LEU A 67 1.841 3.734 3.601 1.00 0.00 C ATOM 997 CG LEU A 67 1.841 2.350 2.924 1.00 0.00 C ATOM 998 CD1 LEU A 67 0.398 1.837 2.811 1.00 0.00 C ATOM 999 CD2 LEU A 67 2.470 2.440 1.518 1.00 0.00 C ATOM 0 H LEU A 67 3.137 2.597 5.398 1.00 0.00 H new ATOM 0 HA LEU A 67 3.905 4.046 3.066 1.00 0.00 H new ATOM 0 HB2 LEU A 67 1.235 3.704 4.507 1.00 0.00 H new ATOM 0 HB3 LEU A 67 1.387 4.471 2.938 1.00 0.00 H new ATOM 0 HG LEU A 67 2.430 1.660 3.528 1.00 0.00 H new ATOM 0 HD11 LEU A 67 0.396 0.858 2.332 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -0.038 1.755 3.807 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -0.190 2.534 2.214 1.00 0.00 H new ATOM 0 HD21 LEU A 67 2.463 1.454 1.052 1.00 0.00 H new ATOM 0 HD22 LEU A 67 1.895 3.135 0.906 1.00 0.00 H new ATOM 0 HD23 LEU A 67 3.497 2.795 1.601 1.00 0.00 H new ATOM 1011 N SER A 68 2.938 5.858 5.638 1.00 0.00 N ATOM 1012 CA SER A 68 2.911 7.258 6.144 1.00 0.00 C ATOM 1013 C SER A 68 4.289 7.888 5.952 1.00 0.00 C ATOM 1014 O SER A 68 4.409 9.045 5.600 1.00 0.00 O ATOM 1015 CB SER A 68 2.554 7.254 7.630 1.00 0.00 C ATOM 1016 OG SER A 68 1.260 6.691 7.799 1.00 0.00 O ATOM 0 H SER A 68 2.682 5.145 6.321 1.00 0.00 H new ATOM 0 HA SER A 68 2.166 7.833 5.594 1.00 0.00 H new ATOM 0 HB2 SER A 68 3.290 6.679 8.191 1.00 0.00 H new ATOM 0 HB3 SER A 68 2.576 8.270 8.024 1.00 0.00 H new ATOM 0 HG SER A 68 1.295 5.729 7.613 1.00 0.00 H new ATOM 1022 N GLY A 69 5.331 7.140 6.179 1.00 0.00 N ATOM 1023 CA GLY A 69 6.699 7.705 6.003 1.00 0.00 C ATOM 1024 C GLY A 69 6.794 8.388 4.636 1.00 0.00 C ATOM 1025 O GLY A 69 7.516 9.349 4.459 1.00 0.00 O ATOM 0 H GLY A 69 5.297 6.165 6.478 1.00 0.00 H new ATOM 0 HA2 GLY A 69 6.913 8.422 6.796 1.00 0.00 H new ATOM 0 HA3 GLY A 69 7.444 6.913 6.079 1.00 0.00 H new ATOM 1029 N PHE A 70 6.056 7.905 3.669 1.00 0.00 N ATOM 1030 CA PHE A 70 6.084 8.528 2.312 1.00 0.00 C ATOM 1031 C PHE A 70 4.958 9.554 2.232 1.00 0.00 C ATOM 1032 O PHE A 70 4.890 10.358 1.323 1.00 0.00 O ATOM 1033 CB PHE A 70 5.851 7.449 1.253 1.00 0.00 C ATOM 1034 CG PHE A 70 7.010 6.483 1.248 1.00 0.00 C ATOM 1035 CD1 PHE A 70 8.130 6.736 0.448 1.00 0.00 C ATOM 1036 CD2 PHE A 70 6.962 5.331 2.040 1.00 0.00 C ATOM 1037 CE1 PHE A 70 9.204 5.838 0.441 1.00 0.00 C ATOM 1038 CE2 PHE A 70 8.036 4.433 2.035 1.00 0.00 C ATOM 1039 CZ PHE A 70 9.157 4.686 1.236 1.00 0.00 C ATOM 0 H PHE A 70 5.433 7.103 3.762 1.00 0.00 H new ATOM 0 HA PHE A 70 7.048 9.005 2.138 1.00 0.00 H new ATOM 0 HB2 PHE A 70 4.922 6.917 1.460 1.00 0.00 H new ATOM 0 HB3 PHE A 70 5.743 7.908 0.270 1.00 0.00 H new ATOM 0 HD1 PHE A 70 8.166 7.625 -0.165 1.00 0.00 H new ATOM 0 HD2 PHE A 70 6.096 5.134 2.655 1.00 0.00 H new ATOM 0 HE1 PHE A 70 10.068 6.033 -0.177 1.00 0.00 H new ATOM 0 HE2 PHE A 70 8.000 3.545 2.648 1.00 0.00 H new ATOM 0 HZ PHE A 70 9.985 3.993 1.233 1.00 0.00 H new ATOM 1049 N CYS A 71 4.075 9.524 3.194 1.00 0.00 N ATOM 1050 CA CYS A 71 2.933 10.484 3.227 1.00 0.00 C ATOM 1051 C CYS A 71 2.821 11.051 4.649 1.00 0.00 C ATOM 1052 O CYS A 71 1.955 10.659 5.405 1.00 0.00 O ATOM 1053 CB CYS A 71 1.644 9.739 2.870 1.00 0.00 C ATOM 1054 SG CYS A 71 1.619 9.405 1.090 1.00 0.00 S ATOM 0 H CYS A 71 4.097 8.864 3.971 1.00 0.00 H new ATOM 0 HA CYS A 71 3.092 11.293 2.514 1.00 0.00 H new ATOM 0 HB2 CYS A 71 1.584 8.804 3.428 1.00 0.00 H new ATOM 0 HB3 CYS A 71 0.776 10.335 3.152 1.00 0.00 H new ATOM 1059 N PRO A 72 3.703 11.952 5.023 1.00 0.00 N ATOM 1060 CA PRO A 72 3.684 12.538 6.398 1.00 0.00 C ATOM 1061 C PRO A 72 2.310 13.070 6.828 1.00 0.00 C ATOM 1062 O PRO A 72 2.146 13.528 7.942 1.00 0.00 O ATOM 1063 CB PRO A 72 4.722 13.666 6.280 1.00 0.00 C ATOM 1064 CG PRO A 72 5.587 13.373 5.045 1.00 0.00 C ATOM 1065 CD PRO A 72 4.782 12.449 4.118 1.00 0.00 C ATOM 0 HA PRO A 72 3.907 11.799 7.167 1.00 0.00 H new ATOM 0 HB2 PRO A 72 4.228 14.632 6.181 1.00 0.00 H new ATOM 0 HB3 PRO A 72 5.339 13.714 7.177 1.00 0.00 H new ATOM 0 HG2 PRO A 72 5.846 14.299 4.531 1.00 0.00 H new ATOM 0 HG3 PRO A 72 6.524 12.899 5.338 1.00 0.00 H new ATOM 0 HD2 PRO A 72 4.378 12.986 3.260 1.00 0.00 H new ATOM 0 HD3 PRO A 72 5.391 11.635 3.726 1.00 0.00 H new ATOM 1073 N HIS A 73 1.320 13.003 5.974 1.00 0.00 N ATOM 1074 CA HIS A 73 -0.040 13.497 6.364 1.00 0.00 C ATOM 1075 C HIS A 73 -0.919 12.305 6.758 1.00 0.00 C ATOM 1076 O HIS A 73 -1.169 11.415 5.968 1.00 0.00 O ATOM 1077 CB HIS A 73 -0.676 14.250 5.187 1.00 0.00 C ATOM 1078 CG HIS A 73 -1.072 13.289 4.093 1.00 0.00 C ATOM 1079 ND1 HIS A 73 -2.371 12.825 3.949 1.00 0.00 N ATOM 1080 CD2 HIS A 73 -0.354 12.712 3.075 1.00 0.00 C ATOM 1081 CE1 HIS A 73 -2.394 12.008 2.880 1.00 0.00 C ATOM 1082 NE2 HIS A 73 -1.191 11.904 2.311 1.00 0.00 N ATOM 0 H HIS A 73 1.392 12.630 5.027 1.00 0.00 H new ATOM 0 HA HIS A 73 0.048 14.176 7.212 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -1.553 14.799 5.531 1.00 0.00 H new ATOM 0 HB3 HIS A 73 0.027 14.985 4.796 1.00 0.00 H new ATOM 0 HD2 HIS A 73 0.700 12.862 2.894 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -3.278 11.499 2.526 1.00 0.00 H new ATOM 0 HE2 HIS A 73 -0.939 11.351 1.492 1.00 0.00 H new ATOM 1090 N LYS A 74 -1.389 12.287 7.976 1.00 0.00 N ATOM 1091 CA LYS A 74 -2.255 11.164 8.430 1.00 0.00 C ATOM 1092 C LYS A 74 -3.656 11.337 7.838 1.00 0.00 C ATOM 1093 O LYS A 74 -4.175 12.433 7.771 1.00 0.00 O ATOM 1094 CB LYS A 74 -2.340 11.177 9.957 1.00 0.00 C ATOM 1095 CG LYS A 74 -0.981 10.788 10.543 1.00 0.00 C ATOM 1096 CD LYS A 74 -1.055 10.798 12.072 1.00 0.00 C ATOM 1097 CE LYS A 74 0.307 10.409 12.652 1.00 0.00 C ATOM 1098 NZ LYS A 74 0.172 10.174 14.119 1.00 0.00 N ATOM 0 H LYS A 74 -1.209 13.005 8.678 1.00 0.00 H new ATOM 0 HA LYS A 74 -1.833 10.215 8.098 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -2.630 12.167 10.308 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -3.108 10.481 10.296 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -0.692 9.798 10.190 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -0.215 11.484 10.202 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -1.344 11.788 12.426 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -1.820 10.101 12.414 1.00 0.00 H new ATOM 0 HE2 LYS A 74 0.680 9.510 12.161 1.00 0.00 H new ATOM 0 HE3 LYS A 74 1.034 11.200 12.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 1.097 9.910 14.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -0.166 11.043 14.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -0.509 9.406 14.286 1.00 0.00 H new ATOM 1112 N VAL A 75 -4.269 10.263 7.403 1.00 0.00 N ATOM 1113 CA VAL A 75 -5.641 10.349 6.801 1.00 0.00 C ATOM 1114 C VAL A 75 -6.665 9.713 7.739 1.00 0.00 C ATOM 1115 O VAL A 75 -6.490 8.606 8.208 1.00 0.00 O ATOM 1116 CB VAL A 75 -5.653 9.614 5.462 1.00 0.00 C ATOM 1117 CG1 VAL A 75 -7.055 9.696 4.843 1.00 0.00 C ATOM 1118 CG2 VAL A 75 -4.637 10.273 4.526 1.00 0.00 C ATOM 0 H VAL A 75 -3.876 9.322 7.439 1.00 0.00 H new ATOM 0 HA VAL A 75 -5.900 11.397 6.649 1.00 0.00 H new ATOM 0 HB VAL A 75 -5.391 8.567 5.612 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -7.062 9.171 3.888 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -7.777 9.234 5.516 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -7.322 10.741 4.685 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -4.637 9.756 3.567 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -4.906 11.318 4.375 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -3.643 10.215 4.969 1.00 0.00 H new ATOM 1128 N SER A 76 -7.735 10.413 8.015 1.00 0.00 N ATOM 1129 CA SER A 76 -8.785 9.868 8.925 1.00 0.00 C ATOM 1130 C SER A 76 -9.840 9.130 8.099 1.00 0.00 C ATOM 1131 O SER A 76 -9.940 9.308 6.901 1.00 0.00 O ATOM 1132 CB SER A 76 -9.457 11.022 9.669 1.00 0.00 C ATOM 1133 OG SER A 76 -10.197 11.808 8.742 1.00 0.00 O ATOM 0 H SER A 76 -7.927 11.344 7.646 1.00 0.00 H new ATOM 0 HA SER A 76 -8.327 9.182 9.638 1.00 0.00 H new ATOM 0 HB2 SER A 76 -10.118 10.635 10.445 1.00 0.00 H new ATOM 0 HB3 SER A 76 -8.706 11.636 10.167 1.00 0.00 H new ATOM 0 HG SER A 76 -10.631 12.549 9.215 1.00 0.00 H new ATOM 1139 N ALA A 77 -10.630 8.306 8.732 1.00 0.00 N ATOM 1140 CA ALA A 77 -11.683 7.556 7.993 1.00 0.00 C ATOM 1141 C ALA A 77 -12.667 8.545 7.361 1.00 0.00 C ATOM 1142 O ALA A 77 -13.548 8.166 6.614 1.00 0.00 O ATOM 1143 CB ALA A 77 -12.426 6.644 8.973 1.00 0.00 C ATOM 0 H ALA A 77 -10.590 8.120 9.734 1.00 0.00 H new ATOM 0 HA ALA A 77 -11.226 6.955 7.207 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -13.199 6.091 8.440 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -11.723 5.943 9.422 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -12.886 7.248 9.755 1.00 0.00 H new ATOM 1149 N GLY A 78 -12.528 9.813 7.663 1.00 0.00 N ATOM 1150 CA GLY A 78 -13.455 10.842 7.090 1.00 0.00 C ATOM 1151 C GLY A 78 -12.764 11.605 5.950 1.00 0.00 C ATOM 1152 O GLY A 78 -13.412 12.152 5.079 1.00 0.00 O ATOM 0 H GLY A 78 -11.809 10.182 8.285 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -14.359 10.360 6.719 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -13.762 11.539 7.870 1.00 0.00 H new ATOM 1156 N GLN A 79 -11.457 11.660 5.957 1.00 0.00 N ATOM 1157 CA GLN A 79 -10.722 12.407 4.883 1.00 0.00 C ATOM 1158 C GLN A 79 -10.357 11.464 3.725 1.00 0.00 C ATOM 1159 O GLN A 79 -9.676 10.474 3.909 1.00 0.00 O ATOM 1160 CB GLN A 79 -9.446 13.001 5.488 1.00 0.00 C ATOM 1161 CG GLN A 79 -9.821 14.135 6.449 1.00 0.00 C ATOM 1162 CD GLN A 79 -8.554 14.733 7.066 1.00 0.00 C ATOM 1163 OE1 GLN A 79 -7.420 14.101 6.942 1.00 0.00 O flip ATOM 1164 NE2 GLN A 79 -8.598 15.784 7.674 1.00 0.00 N flip ATOM 0 H GLN A 79 -10.863 11.220 6.660 1.00 0.00 H new ATOM 0 HA GLN A 79 -11.359 13.200 4.491 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -8.888 12.229 6.018 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -8.797 13.378 4.698 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -10.376 14.907 5.916 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -10.475 13.757 7.234 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -9.484 16.280 7.772 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -7.749 16.171 8.086 1.00 0.00 H new ATOM 1173 N PHE A 80 -10.807 11.773 2.528 1.00 0.00 N ATOM 1174 CA PHE A 80 -10.495 10.914 1.337 1.00 0.00 C ATOM 1175 C PHE A 80 -9.969 11.789 0.196 1.00 0.00 C ATOM 1176 O PHE A 80 -10.429 12.896 -0.003 1.00 0.00 O ATOM 1177 CB PHE A 80 -11.763 10.200 0.886 1.00 0.00 C ATOM 1178 CG PHE A 80 -12.167 9.193 1.937 1.00 0.00 C ATOM 1179 CD1 PHE A 80 -11.478 7.978 2.041 1.00 0.00 C ATOM 1180 CD2 PHE A 80 -13.222 9.476 2.812 1.00 0.00 C ATOM 1181 CE1 PHE A 80 -11.845 7.046 3.019 1.00 0.00 C ATOM 1182 CE2 PHE A 80 -13.589 8.544 3.790 1.00 0.00 C ATOM 1183 CZ PHE A 80 -12.900 7.329 3.894 1.00 0.00 C ATOM 0 H PHE A 80 -11.382 12.591 2.324 1.00 0.00 H new ATOM 0 HA PHE A 80 -9.737 10.179 1.607 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -12.565 10.922 0.729 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -11.593 9.700 -0.068 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -10.663 7.760 1.366 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -13.753 10.413 2.733 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -11.314 6.109 3.098 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -14.404 8.762 4.465 1.00 0.00 H new ATOM 0 HZ PHE A 80 -13.183 6.611 4.649 1.00 0.00 H new ATOM 1193 N SER A 81 -8.993 11.308 -0.546 1.00 0.00 N ATOM 1194 CA SER A 81 -8.415 12.119 -1.671 1.00 0.00 C ATOM 1195 C SER A 81 -8.515 11.382 -3.019 1.00 0.00 C ATOM 1196 O SER A 81 -8.591 12.010 -4.056 1.00 0.00 O ATOM 1197 CB SER A 81 -6.945 12.398 -1.362 1.00 0.00 C ATOM 1198 OG SER A 81 -6.859 13.212 -0.199 1.00 0.00 O ATOM 0 H SER A 81 -8.572 10.388 -0.420 1.00 0.00 H new ATOM 0 HA SER A 81 -8.983 13.045 -1.755 1.00 0.00 H new ATOM 0 HB2 SER A 81 -6.410 11.462 -1.206 1.00 0.00 H new ATOM 0 HB3 SER A 81 -6.472 12.898 -2.207 1.00 0.00 H new ATOM 0 HG SER A 81 -5.918 13.393 0.005 1.00 0.00 H new ATOM 1204 N SER A 82 -8.480 10.065 -3.032 1.00 0.00 N ATOM 1205 CA SER A 82 -8.536 9.318 -4.343 1.00 0.00 C ATOM 1206 C SER A 82 -9.881 8.609 -4.541 1.00 0.00 C ATOM 1207 O SER A 82 -10.110 7.991 -5.563 1.00 0.00 O ATOM 1208 CB SER A 82 -7.419 8.276 -4.380 1.00 0.00 C ATOM 1209 OG SER A 82 -7.392 7.673 -5.667 1.00 0.00 O ATOM 0 H SER A 82 -8.416 9.477 -2.201 1.00 0.00 H new ATOM 0 HA SER A 82 -8.414 10.046 -5.145 1.00 0.00 H new ATOM 0 HB2 SER A 82 -6.459 8.745 -4.164 1.00 0.00 H new ATOM 0 HB3 SER A 82 -7.584 7.519 -3.613 1.00 0.00 H new ATOM 0 HG SER A 82 -8.308 7.571 -6.000 1.00 0.00 H new ATOM 1215 N LEU A 83 -10.772 8.681 -3.594 1.00 0.00 N ATOM 1216 CA LEU A 83 -12.094 7.997 -3.764 1.00 0.00 C ATOM 1217 C LEU A 83 -13.057 8.932 -4.508 1.00 0.00 C ATOM 1218 O LEU A 83 -14.262 8.816 -4.396 1.00 0.00 O ATOM 1219 CB LEU A 83 -12.671 7.641 -2.387 1.00 0.00 C ATOM 1220 CG LEU A 83 -12.008 6.362 -1.854 1.00 0.00 C ATOM 1221 CD1 LEU A 83 -10.516 6.615 -1.606 1.00 0.00 C ATOM 1222 CD2 LEU A 83 -12.679 5.947 -0.537 1.00 0.00 C ATOM 0 H LEU A 83 -10.649 9.179 -2.713 1.00 0.00 H new ATOM 0 HA LEU A 83 -11.961 7.082 -4.341 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -12.506 8.463 -1.691 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -13.749 7.498 -2.461 1.00 0.00 H new ATOM 0 HG LEU A 83 -12.122 5.566 -2.590 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -10.051 5.705 -1.228 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -10.036 6.907 -2.540 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -10.399 7.413 -0.873 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -12.208 5.039 -0.159 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -12.567 6.746 0.196 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -13.739 5.761 -0.712 1.00 0.00 H new ATOM 1234 N HIS A 84 -12.537 9.857 -5.268 1.00 0.00 N ATOM 1235 CA HIS A 84 -13.425 10.790 -6.015 1.00 0.00 C ATOM 1236 C HIS A 84 -14.031 10.059 -7.212 1.00 0.00 C ATOM 1237 O HIS A 84 -15.176 10.261 -7.563 1.00 0.00 O ATOM 1238 CB HIS A 84 -12.608 11.977 -6.514 1.00 0.00 C ATOM 1239 CG HIS A 84 -11.820 12.552 -5.374 1.00 0.00 C ATOM 1240 ND1 HIS A 84 -12.122 12.272 -4.051 1.00 0.00 N ATOM 1241 CD2 HIS A 84 -10.738 13.394 -5.343 1.00 0.00 C ATOM 1242 CE1 HIS A 84 -11.239 12.938 -3.286 1.00 0.00 C ATOM 1243 NE2 HIS A 84 -10.372 13.637 -4.023 1.00 0.00 N ATOM 0 H HIS A 84 -11.537 10.006 -5.403 1.00 0.00 H new ATOM 0 HA HIS A 84 -14.219 11.143 -5.357 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -11.936 11.661 -7.312 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -13.268 12.736 -6.934 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -10.245 13.806 -6.211 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -11.232 12.911 -2.206 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -9.606 14.223 -3.690 1.00 0.00 H new ATOM 1251 N VAL A 85 -13.268 9.206 -7.838 1.00 0.00 N ATOM 1252 CA VAL A 85 -13.797 8.453 -9.009 1.00 0.00 C ATOM 1253 C VAL A 85 -14.713 7.341 -8.505 1.00 0.00 C ATOM 1254 O VAL A 85 -14.526 6.817 -7.426 1.00 0.00 O ATOM 1255 CB VAL A 85 -12.636 7.842 -9.795 1.00 0.00 C ATOM 1256 CG1 VAL A 85 -13.142 7.388 -11.163 1.00 0.00 C ATOM 1257 CG2 VAL A 85 -11.535 8.891 -9.975 1.00 0.00 C ATOM 0 H VAL A 85 -12.301 8.998 -7.589 1.00 0.00 H new ATOM 0 HA VAL A 85 -14.353 9.126 -9.661 1.00 0.00 H new ATOM 0 HB VAL A 85 -12.233 6.987 -9.253 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -12.319 6.951 -11.729 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -13.927 6.644 -11.032 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -13.541 8.245 -11.706 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -10.707 8.457 -10.535 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -11.933 9.746 -10.521 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -11.180 9.218 -8.997 1.00 0.00 H new ATOM 1267 N ARG A 86 -15.710 6.975 -9.264 1.00 0.00 N ATOM 1268 CA ARG A 86 -16.634 5.903 -8.799 1.00 0.00 C ATOM 1269 C ARG A 86 -16.102 4.547 -9.267 1.00 0.00 C ATOM 1270 O ARG A 86 -16.725 3.859 -10.049 1.00 0.00 O ATOM 1271 CB ARG A 86 -18.016 6.143 -9.410 1.00 0.00 C ATOM 1272 CG ARG A 86 -18.651 7.388 -8.782 1.00 0.00 C ATOM 1273 CD ARG A 86 -20.031 7.624 -9.405 1.00 0.00 C ATOM 1274 NE ARG A 86 -19.894 7.829 -10.889 1.00 0.00 N ATOM 1275 CZ ARG A 86 -19.157 8.786 -11.394 1.00 0.00 C ATOM 1276 NH1 ARG A 86 -18.638 9.704 -10.628 1.00 0.00 N ATOM 1277 NH2 ARG A 86 -18.978 8.854 -12.684 1.00 0.00 N ATOM 0 H ARG A 86 -15.923 7.369 -10.180 1.00 0.00 H new ATOM 0 HA ARG A 86 -16.703 5.913 -7.711 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -17.929 6.272 -10.489 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -18.653 5.275 -9.243 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -18.744 7.258 -7.704 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -18.013 8.257 -8.945 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -20.680 6.772 -9.205 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -20.501 8.496 -8.950 1.00 0.00 H new ATOM 0 HE ARG A 86 -20.391 7.202 -11.522 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -18.804 9.682 -9.622 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -18.066 10.444 -11.035 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -19.412 8.163 -13.296 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -18.404 9.598 -13.081 1.00 0.00 H new ATOM 1291 N ASP A 87 -14.952 4.157 -8.783 1.00 0.00 N ATOM 1292 CA ASP A 87 -14.376 2.843 -9.190 1.00 0.00 C ATOM 1293 C ASP A 87 -14.998 1.738 -8.341 1.00 0.00 C ATOM 1294 O ASP A 87 -15.684 1.996 -7.374 1.00 0.00 O ATOM 1295 CB ASP A 87 -12.857 2.852 -8.980 1.00 0.00 C ATOM 1296 CG ASP A 87 -12.194 3.756 -10.020 1.00 0.00 C ATOM 1297 OD1 ASP A 87 -12.819 4.023 -11.033 1.00 0.00 O ATOM 1298 OD2 ASP A 87 -11.069 4.166 -9.784 1.00 0.00 O ATOM 0 H ASP A 87 -14.387 4.692 -8.123 1.00 0.00 H new ATOM 0 HA ASP A 87 -14.591 2.665 -10.244 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -12.622 3.205 -7.976 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -12.464 1.839 -9.062 1.00 0.00 H new ATOM 1303 N THR A 88 -14.765 0.505 -8.692 1.00 0.00 N ATOM 1304 CA THR A 88 -15.343 -0.621 -7.905 1.00 0.00 C ATOM 1305 C THR A 88 -14.327 -1.078 -6.858 1.00 0.00 C ATOM 1306 O THR A 88 -13.157 -0.758 -6.936 1.00 0.00 O ATOM 1307 CB THR A 88 -15.658 -1.784 -8.846 1.00 0.00 C ATOM 1308 OG1 THR A 88 -14.463 -2.205 -9.493 1.00 0.00 O ATOM 1309 CG2 THR A 88 -16.680 -1.335 -9.890 1.00 0.00 C ATOM 0 H THR A 88 -14.197 0.227 -9.493 1.00 0.00 H new ATOM 0 HA THR A 88 -16.257 -0.293 -7.410 1.00 0.00 H new ATOM 0 HB THR A 88 -16.071 -2.615 -8.274 1.00 0.00 H new ATOM 0 HG1 THR A 88 -14.663 -2.952 -10.095 1.00 0.00 H new ATOM 0 HG21 THR A 88 -16.904 -2.165 -10.560 1.00 0.00 H new ATOM 0 HG22 THR A 88 -17.594 -1.015 -9.390 1.00 0.00 H new ATOM 0 HG23 THR A 88 -16.272 -0.504 -10.465 1.00 0.00 H new ATOM 1317 N LYS A 89 -14.761 -1.827 -5.880 1.00 0.00 N ATOM 1318 CA LYS A 89 -13.816 -2.309 -4.829 1.00 0.00 C ATOM 1319 C LYS A 89 -13.200 -3.638 -5.282 1.00 0.00 C ATOM 1320 O LYS A 89 -13.792 -4.376 -6.044 1.00 0.00 O ATOM 1321 CB LYS A 89 -14.570 -2.532 -3.516 1.00 0.00 C ATOM 1322 CG LYS A 89 -15.071 -1.202 -2.954 1.00 0.00 C ATOM 1323 CD LYS A 89 -15.816 -1.472 -1.646 1.00 0.00 C ATOM 1324 CE LYS A 89 -16.327 -0.156 -1.067 1.00 0.00 C ATOM 1325 NZ LYS A 89 -17.182 -0.436 0.120 1.00 0.00 N ATOM 0 H LYS A 89 -15.729 -2.126 -5.763 1.00 0.00 H new ATOM 0 HA LYS A 89 -13.035 -1.564 -4.676 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -15.412 -3.203 -3.683 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -13.915 -3.016 -2.791 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -14.234 -0.526 -2.779 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -15.731 -0.713 -3.671 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -16.650 -2.151 -1.824 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -15.153 -1.962 -0.933 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -15.488 0.479 -0.783 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -16.898 0.388 -1.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -17.531 0.460 0.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -17.989 -1.026 -0.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -16.623 -0.938 0.840 1.00 0.00 H new ATOM 1339 N ILE A 90 -12.010 -3.940 -4.821 1.00 0.00 N ATOM 1340 CA ILE A 90 -11.330 -5.217 -5.217 1.00 0.00 C ATOM 1341 C ILE A 90 -10.799 -5.924 -3.966 1.00 0.00 C ATOM 1342 O ILE A 90 -10.690 -5.334 -2.910 1.00 0.00 O ATOM 1343 CB ILE A 90 -10.174 -4.888 -6.161 1.00 0.00 C ATOM 1344 CG1 ILE A 90 -9.196 -3.936 -5.462 1.00 0.00 C ATOM 1345 CG2 ILE A 90 -10.729 -4.220 -7.421 1.00 0.00 C ATOM 1346 CD1 ILE A 90 -8.053 -3.593 -6.417 1.00 0.00 C ATOM 0 H ILE A 90 -11.475 -3.352 -4.182 1.00 0.00 H new ATOM 0 HA ILE A 90 -12.037 -5.876 -5.721 1.00 0.00 H new ATOM 0 HB ILE A 90 -9.650 -5.804 -6.433 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -9.713 -3.027 -5.154 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -8.802 -4.400 -4.558 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -9.909 -3.983 -8.098 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -11.424 -4.898 -7.916 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -11.250 -3.303 -7.147 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -7.356 -2.916 -5.922 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -7.531 -4.506 -6.702 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -8.456 -3.112 -7.308 1.00 0.00 H new ATOM 1358 N GLU A 91 -10.472 -7.184 -4.072 1.00 0.00 N ATOM 1359 CA GLU A 91 -9.952 -7.925 -2.882 1.00 0.00 C ATOM 1360 C GLU A 91 -8.587 -7.362 -2.477 1.00 0.00 C ATOM 1361 O GLU A 91 -7.816 -6.923 -3.306 1.00 0.00 O ATOM 1362 CB GLU A 91 -9.801 -9.406 -3.228 1.00 0.00 C ATOM 1363 CG GLU A 91 -11.183 -10.026 -3.437 1.00 0.00 C ATOM 1364 CD GLU A 91 -11.029 -11.506 -3.784 1.00 0.00 C ATOM 1365 OE1 GLU A 91 -9.903 -11.976 -3.801 1.00 0.00 O ATOM 1366 OE2 GLU A 91 -12.039 -12.145 -4.031 1.00 0.00 O ATOM 0 H GLU A 91 -10.542 -7.733 -4.929 1.00 0.00 H new ATOM 0 HA GLU A 91 -10.653 -7.810 -2.055 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -9.200 -9.520 -4.130 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -9.275 -9.926 -2.427 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -11.784 -9.913 -2.535 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -11.709 -9.506 -4.238 1.00 0.00 H new ATOM 1373 N VAL A 92 -8.281 -7.377 -1.204 1.00 0.00 N ATOM 1374 CA VAL A 92 -6.963 -6.845 -0.744 1.00 0.00 C ATOM 1375 C VAL A 92 -5.829 -7.638 -1.408 1.00 0.00 C ATOM 1376 O VAL A 92 -4.831 -7.083 -1.823 1.00 0.00 O ATOM 1377 CB VAL A 92 -6.863 -6.989 0.782 1.00 0.00 C ATOM 1378 CG1 VAL A 92 -5.433 -6.682 1.243 1.00 0.00 C ATOM 1379 CG2 VAL A 92 -7.835 -6.014 1.453 1.00 0.00 C ATOM 0 H VAL A 92 -8.886 -7.734 -0.465 1.00 0.00 H new ATOM 0 HA VAL A 92 -6.878 -5.794 -1.019 1.00 0.00 H new ATOM 0 HB VAL A 92 -7.119 -8.011 1.062 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -5.370 -6.786 2.326 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -4.741 -7.379 0.770 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -5.171 -5.662 0.961 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -7.764 -6.117 2.536 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -7.581 -4.993 1.168 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -8.853 -6.237 1.134 1.00 0.00 H new ATOM 1389 N ALA A 93 -5.975 -8.929 -1.510 1.00 0.00 N ATOM 1390 CA ALA A 93 -4.906 -9.756 -2.142 1.00 0.00 C ATOM 1391 C ALA A 93 -4.552 -9.178 -3.515 1.00 0.00 C ATOM 1392 O ALA A 93 -3.397 -9.112 -3.897 1.00 0.00 O ATOM 1393 CB ALA A 93 -5.414 -11.191 -2.305 1.00 0.00 C ATOM 0 H ALA A 93 -6.789 -9.449 -1.183 1.00 0.00 H new ATOM 0 HA ALA A 93 -4.017 -9.750 -1.511 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -4.638 -11.802 -2.766 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -5.665 -11.601 -1.327 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -6.301 -11.193 -2.938 1.00 0.00 H new ATOM 1399 N GLN A 94 -5.532 -8.752 -4.258 1.00 0.00 N ATOM 1400 CA GLN A 94 -5.249 -8.180 -5.602 1.00 0.00 C ATOM 1401 C GLN A 94 -4.695 -6.763 -5.438 1.00 0.00 C ATOM 1402 O GLN A 94 -3.835 -6.333 -6.180 1.00 0.00 O ATOM 1403 CB GLN A 94 -6.543 -8.137 -6.422 1.00 0.00 C ATOM 1404 CG GLN A 94 -6.994 -9.564 -6.740 1.00 0.00 C ATOM 1405 CD GLN A 94 -8.307 -9.521 -7.524 1.00 0.00 C ATOM 1406 OE1 GLN A 94 -8.997 -8.522 -7.520 1.00 0.00 O ATOM 1407 NE2 GLN A 94 -8.686 -10.573 -8.196 1.00 0.00 N ATOM 0 H GLN A 94 -6.517 -8.775 -3.993 1.00 0.00 H new ATOM 0 HA GLN A 94 -4.517 -8.800 -6.120 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -7.321 -7.614 -5.866 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -6.382 -7.581 -7.346 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -6.228 -10.078 -7.321 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -7.127 -10.129 -5.817 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -8.106 -11.412 -8.199 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -9.562 -10.556 -8.718 1.00 0.00 H new ATOM 1416 N PHE A 95 -5.178 -6.036 -4.469 1.00 0.00 N ATOM 1417 CA PHE A 95 -4.680 -4.649 -4.260 1.00 0.00 C ATOM 1418 C PHE A 95 -3.173 -4.669 -3.983 1.00 0.00 C ATOM 1419 O PHE A 95 -2.415 -3.930 -4.577 1.00 0.00 O ATOM 1420 CB PHE A 95 -5.390 -4.039 -3.052 1.00 0.00 C ATOM 1421 CG PHE A 95 -4.864 -2.644 -2.821 1.00 0.00 C ATOM 1422 CD1 PHE A 95 -3.747 -2.449 -1.999 1.00 0.00 C ATOM 1423 CD2 PHE A 95 -5.482 -1.549 -3.434 1.00 0.00 C ATOM 1424 CE1 PHE A 95 -3.250 -1.160 -1.789 1.00 0.00 C ATOM 1425 CE2 PHE A 95 -4.983 -0.258 -3.224 1.00 0.00 C ATOM 1426 CZ PHE A 95 -3.867 -0.064 -2.402 1.00 0.00 C ATOM 0 H PHE A 95 -5.896 -6.343 -3.813 1.00 0.00 H new ATOM 0 HA PHE A 95 -4.879 -4.061 -5.156 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -6.466 -4.011 -3.223 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -5.224 -4.655 -2.168 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -3.270 -3.295 -1.527 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -6.343 -1.699 -4.068 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -2.390 -1.010 -1.154 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -5.459 0.588 -3.696 1.00 0.00 H new ATOM 0 HZ PHE A 95 -3.482 0.932 -2.241 1.00 0.00 H new ATOM 1436 N VAL A 96 -2.737 -5.498 -3.073 1.00 0.00 N ATOM 1437 CA VAL A 96 -1.282 -5.553 -2.742 1.00 0.00 C ATOM 1438 C VAL A 96 -0.467 -5.990 -3.966 1.00 0.00 C ATOM 1439 O VAL A 96 0.561 -5.418 -4.273 1.00 0.00 O ATOM 1440 CB VAL A 96 -1.056 -6.562 -1.614 1.00 0.00 C ATOM 1441 CG1 VAL A 96 0.447 -6.699 -1.338 1.00 0.00 C ATOM 1442 CG2 VAL A 96 -1.773 -6.084 -0.350 1.00 0.00 C ATOM 0 H VAL A 96 -3.326 -6.141 -2.543 1.00 0.00 H new ATOM 0 HA VAL A 96 -0.958 -4.559 -2.433 1.00 0.00 H new ATOM 0 HB VAL A 96 -1.455 -7.532 -1.910 1.00 0.00 H new ATOM 0 HG11 VAL A 96 0.605 -7.418 -0.534 1.00 0.00 H new ATOM 0 HG12 VAL A 96 0.952 -7.045 -2.240 1.00 0.00 H new ATOM 0 HG13 VAL A 96 0.853 -5.731 -1.044 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -1.612 -6.803 0.453 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -1.378 -5.113 -0.053 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -2.841 -5.995 -0.549 1.00 0.00 H new ATOM 1452 N LYS A 97 -0.897 -7.014 -4.653 1.00 0.00 N ATOM 1453 CA LYS A 97 -0.123 -7.491 -5.837 1.00 0.00 C ATOM 1454 C LYS A 97 -0.010 -6.386 -6.892 1.00 0.00 C ATOM 1455 O LYS A 97 1.065 -6.099 -7.386 1.00 0.00 O ATOM 1456 CB LYS A 97 -0.821 -8.710 -6.439 1.00 0.00 C ATOM 1457 CG LYS A 97 -0.674 -9.897 -5.487 1.00 0.00 C ATOM 1458 CD LYS A 97 -1.374 -11.115 -6.088 1.00 0.00 C ATOM 1459 CE LYS A 97 -1.233 -12.310 -5.142 1.00 0.00 C ATOM 1460 NZ LYS A 97 -1.600 -13.559 -5.868 1.00 0.00 N ATOM 0 H LYS A 97 -1.747 -7.539 -4.447 1.00 0.00 H new ATOM 0 HA LYS A 97 0.882 -7.762 -5.514 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -1.876 -8.493 -6.608 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -0.386 -8.951 -7.409 1.00 0.00 H new ATOM 0 HG2 LYS A 97 0.381 -10.115 -5.319 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -1.108 -9.656 -4.517 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -2.428 -10.894 -6.256 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -0.940 -11.354 -7.059 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -0.210 -12.378 -4.773 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -1.877 -12.178 -4.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -1.505 -14.373 -5.228 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -2.583 -13.492 -6.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -0.968 -13.685 -6.684 1.00 0.00 H new ATOM 1474 N ASP A 98 -1.099 -5.762 -7.248 1.00 0.00 N ATOM 1475 CA ASP A 98 -1.022 -4.688 -8.279 1.00 0.00 C ATOM 1476 C ASP A 98 -0.090 -3.586 -7.778 1.00 0.00 C ATOM 1477 O ASP A 98 0.699 -3.036 -8.520 1.00 0.00 O ATOM 1478 CB ASP A 98 -2.419 -4.105 -8.515 1.00 0.00 C ATOM 1479 CG ASP A 98 -3.293 -5.140 -9.228 1.00 0.00 C ATOM 1480 OD1 ASP A 98 -2.749 -5.915 -9.997 1.00 0.00 O ATOM 1481 OD2 ASP A 98 -4.491 -5.137 -8.997 1.00 0.00 O ATOM 0 H ASP A 98 -2.030 -5.946 -6.874 1.00 0.00 H new ATOM 0 HA ASP A 98 -0.640 -5.100 -9.213 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -2.872 -3.824 -7.564 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -2.349 -3.198 -9.115 1.00 0.00 H new ATOM 1486 N LEU A 99 -0.174 -3.271 -6.518 1.00 0.00 N ATOM 1487 CA LEU A 99 0.700 -2.213 -5.943 1.00 0.00 C ATOM 1488 C LEU A 99 2.163 -2.681 -5.976 1.00 0.00 C ATOM 1489 O LEU A 99 3.073 -1.899 -6.171 1.00 0.00 O ATOM 1490 CB LEU A 99 0.269 -1.944 -4.496 1.00 0.00 C ATOM 1491 CG LEU A 99 1.144 -0.852 -3.868 1.00 0.00 C ATOM 1492 CD1 LEU A 99 1.014 0.456 -4.669 1.00 0.00 C ATOM 1493 CD2 LEU A 99 0.684 -0.623 -2.424 1.00 0.00 C ATOM 0 H LEU A 99 -0.817 -3.705 -5.855 1.00 0.00 H new ATOM 0 HA LEU A 99 0.609 -1.297 -6.527 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -0.777 -1.638 -4.473 1.00 0.00 H new ATOM 0 HB3 LEU A 99 0.346 -2.861 -3.911 1.00 0.00 H new ATOM 0 HG LEU A 99 2.188 -1.166 -3.881 1.00 0.00 H new ATOM 0 HD11 LEU A 99 1.639 1.225 -4.215 1.00 0.00 H new ATOM 0 HD12 LEU A 99 1.336 0.287 -5.697 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -0.025 0.784 -4.664 1.00 0.00 H new ATOM 0 HD21 LEU A 99 1.298 0.152 -1.965 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -0.360 -0.308 -2.420 1.00 0.00 H new ATOM 0 HD23 LEU A 99 0.786 -1.549 -1.858 1.00 0.00 H new ATOM 1505 N LEU A 100 2.393 -3.949 -5.760 1.00 0.00 N ATOM 1506 CA LEU A 100 3.793 -4.479 -5.746 1.00 0.00 C ATOM 1507 C LEU A 100 4.497 -4.179 -7.076 1.00 0.00 C ATOM 1508 O LEU A 100 5.657 -3.809 -7.099 1.00 0.00 O ATOM 1509 CB LEU A 100 3.745 -5.995 -5.521 1.00 0.00 C ATOM 1510 CG LEU A 100 5.162 -6.592 -5.498 1.00 0.00 C ATOM 1511 CD1 LEU A 100 5.992 -5.976 -4.362 1.00 0.00 C ATOM 1512 CD2 LEU A 100 5.057 -8.105 -5.289 1.00 0.00 C ATOM 0 H LEU A 100 1.668 -4.647 -5.591 1.00 0.00 H new ATOM 0 HA LEU A 100 4.351 -3.996 -4.944 1.00 0.00 H new ATOM 0 HB2 LEU A 100 3.240 -6.211 -4.580 1.00 0.00 H new ATOM 0 HB3 LEU A 100 3.161 -6.466 -6.312 1.00 0.00 H new ATOM 0 HG LEU A 100 5.656 -6.373 -6.445 1.00 0.00 H new ATOM 0 HD11 LEU A 100 6.991 -6.412 -4.363 1.00 0.00 H new ATOM 0 HD12 LEU A 100 6.066 -4.898 -4.509 1.00 0.00 H new ATOM 0 HD13 LEU A 100 5.509 -6.180 -3.406 1.00 0.00 H new ATOM 0 HD21 LEU A 100 6.056 -8.540 -5.271 1.00 0.00 H new ATOM 0 HD22 LEU A 100 4.556 -8.308 -4.343 1.00 0.00 H new ATOM 0 HD23 LEU A 100 4.484 -8.546 -6.105 1.00 0.00 H new ATOM 1524 N LEU A 101 3.824 -4.335 -8.184 1.00 0.00 N ATOM 1525 CA LEU A 101 4.494 -4.056 -9.493 1.00 0.00 C ATOM 1526 C LEU A 101 4.958 -2.595 -9.538 1.00 0.00 C ATOM 1527 O LEU A 101 6.064 -2.299 -9.946 1.00 0.00 O ATOM 1528 CB LEU A 101 3.507 -4.314 -10.651 1.00 0.00 C ATOM 1529 CG LEU A 101 3.426 -5.816 -11.008 1.00 0.00 C ATOM 1530 CD1 LEU A 101 4.643 -6.239 -11.843 1.00 0.00 C ATOM 1531 CD2 LEU A 101 3.361 -6.677 -9.741 1.00 0.00 C ATOM 0 H LEU A 101 2.852 -4.639 -8.243 1.00 0.00 H new ATOM 0 HA LEU A 101 5.356 -4.714 -9.597 1.00 0.00 H new ATOM 0 HB2 LEU A 101 2.517 -3.952 -10.373 1.00 0.00 H new ATOM 0 HB3 LEU A 101 3.819 -3.748 -11.528 1.00 0.00 H new ATOM 0 HG LEU A 101 2.517 -5.968 -11.590 1.00 0.00 H new ATOM 0 HD11 LEU A 101 4.568 -7.299 -12.084 1.00 0.00 H new ATOM 0 HD12 LEU A 101 4.671 -5.658 -12.765 1.00 0.00 H new ATOM 0 HD13 LEU A 101 5.555 -6.060 -11.273 1.00 0.00 H new ATOM 0 HD21 LEU A 101 3.305 -7.729 -10.019 1.00 0.00 H new ATOM 0 HD22 LEU A 101 4.254 -6.508 -9.140 1.00 0.00 H new ATOM 0 HD23 LEU A 101 2.478 -6.407 -9.162 1.00 0.00 H new ATOM 1543 N HIS A 102 4.125 -1.682 -9.132 1.00 0.00 N ATOM 1544 CA HIS A 102 4.521 -0.245 -9.166 1.00 0.00 C ATOM 1545 C HIS A 102 5.618 0.050 -8.142 1.00 0.00 C ATOM 1546 O HIS A 102 6.516 0.816 -8.407 1.00 0.00 O ATOM 1547 CB HIS A 102 3.299 0.633 -8.874 1.00 0.00 C ATOM 1548 CG HIS A 102 2.445 0.714 -10.105 1.00 0.00 C ATOM 1549 ND1 HIS A 102 2.643 1.677 -11.079 1.00 0.00 N ATOM 1550 CD2 HIS A 102 1.399 -0.052 -10.540 1.00 0.00 C ATOM 1551 CE1 HIS A 102 1.734 1.468 -12.045 1.00 0.00 C ATOM 1552 NE2 HIS A 102 0.948 0.423 -11.767 1.00 0.00 N ATOM 0 H HIS A 102 3.186 -1.866 -8.778 1.00 0.00 H new ATOM 0 HA HIS A 102 4.910 -0.022 -10.160 1.00 0.00 H new ATOM 0 HB2 HIS A 102 2.726 0.216 -8.046 1.00 0.00 H new ATOM 0 HB3 HIS A 102 3.617 1.631 -8.571 1.00 0.00 H new ATOM 0 HD2 HIS A 102 0.986 -0.898 -10.011 1.00 0.00 H new ATOM 0 HE1 HIS A 102 1.648 2.070 -12.937 1.00 0.00 H new ATOM 0 HE2 HIS A 102 0.183 0.054 -12.332 1.00 0.00 H new ATOM 1560 N LEU A 103 5.560 -0.513 -6.972 1.00 0.00 N ATOM 1561 CA LEU A 103 6.615 -0.182 -5.974 1.00 0.00 C ATOM 1562 C LEU A 103 7.999 -0.492 -6.549 1.00 0.00 C ATOM 1563 O LEU A 103 8.859 0.363 -6.589 1.00 0.00 O ATOM 1564 CB LEU A 103 6.412 -1.002 -4.698 1.00 0.00 C ATOM 1565 CG LEU A 103 5.146 -0.535 -3.962 1.00 0.00 C ATOM 1566 CD1 LEU A 103 4.856 -1.497 -2.806 1.00 0.00 C ATOM 1567 CD2 LEU A 103 5.333 0.895 -3.409 1.00 0.00 C ATOM 0 H LEU A 103 4.846 -1.174 -6.665 1.00 0.00 H new ATOM 0 HA LEU A 103 6.545 0.880 -5.740 1.00 0.00 H new ATOM 0 HB2 LEU A 103 6.327 -2.060 -4.947 1.00 0.00 H new ATOM 0 HB3 LEU A 103 7.280 -0.896 -4.047 1.00 0.00 H new ATOM 0 HG LEU A 103 4.311 -0.528 -4.663 1.00 0.00 H new ATOM 0 HD11 LEU A 103 3.959 -1.172 -2.279 1.00 0.00 H new ATOM 0 HD12 LEU A 103 4.702 -2.502 -3.199 1.00 0.00 H new ATOM 0 HD13 LEU A 103 5.700 -1.502 -2.117 1.00 0.00 H new ATOM 0 HD21 LEU A 103 4.426 1.207 -2.892 1.00 0.00 H new ATOM 0 HD22 LEU A 103 6.171 0.909 -2.712 1.00 0.00 H new ATOM 0 HD23 LEU A 103 5.535 1.580 -4.232 1.00 0.00 H new ATOM 1579 N LYS A 104 8.235 -1.696 -6.991 1.00 0.00 N ATOM 1580 CA LYS A 104 9.584 -2.011 -7.547 1.00 0.00 C ATOM 1581 C LYS A 104 9.801 -1.294 -8.886 1.00 0.00 C ATOM 1582 O LYS A 104 10.919 -1.131 -9.330 1.00 0.00 O ATOM 1583 CB LYS A 104 9.762 -3.523 -7.725 1.00 0.00 C ATOM 1584 CG LYS A 104 8.714 -4.087 -8.686 1.00 0.00 C ATOM 1585 CD LYS A 104 8.948 -5.594 -8.836 1.00 0.00 C ATOM 1586 CE LYS A 104 7.918 -6.198 -9.791 1.00 0.00 C ATOM 1587 NZ LYS A 104 7.744 -5.309 -10.973 1.00 0.00 N ATOM 0 H LYS A 104 7.565 -2.465 -6.993 1.00 0.00 H new ATOM 0 HA LYS A 104 10.330 -1.656 -6.836 1.00 0.00 H new ATOM 0 HB2 LYS A 104 10.761 -3.733 -8.106 1.00 0.00 H new ATOM 0 HB3 LYS A 104 9.679 -4.019 -6.758 1.00 0.00 H new ATOM 0 HG2 LYS A 104 7.711 -3.896 -8.306 1.00 0.00 H new ATOM 0 HG3 LYS A 104 8.786 -3.595 -9.656 1.00 0.00 H new ATOM 0 HD2 LYS A 104 9.954 -5.777 -9.213 1.00 0.00 H new ATOM 0 HD3 LYS A 104 8.879 -6.078 -7.862 1.00 0.00 H new ATOM 0 HE2 LYS A 104 8.243 -7.187 -10.113 1.00 0.00 H new ATOM 0 HE3 LYS A 104 6.965 -6.327 -9.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 7.375 -5.862 -11.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 7.074 -4.548 -10.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 8.661 -4.894 -11.234 1.00 0.00 H new ATOM 1601 N LYS A 105 8.752 -0.876 -9.544 1.00 0.00 N ATOM 1602 CA LYS A 105 8.931 -0.190 -10.858 1.00 0.00 C ATOM 1603 C LYS A 105 9.720 1.114 -10.669 1.00 0.00 C ATOM 1604 O LYS A 105 10.660 1.385 -11.389 1.00 0.00 O ATOM 1605 CB LYS A 105 7.558 0.118 -11.466 1.00 0.00 C ATOM 1606 CG LYS A 105 7.734 0.709 -12.868 1.00 0.00 C ATOM 1607 CD LYS A 105 6.362 1.013 -13.474 1.00 0.00 C ATOM 1608 CE LYS A 105 6.543 1.605 -14.874 1.00 0.00 C ATOM 1609 NZ LYS A 105 6.930 0.527 -15.829 1.00 0.00 N ATOM 0 H LYS A 105 7.786 -0.978 -9.232 1.00 0.00 H new ATOM 0 HA LYS A 105 9.487 -0.844 -11.530 1.00 0.00 H new ATOM 0 HB2 LYS A 105 6.960 -0.792 -11.517 1.00 0.00 H new ATOM 0 HB3 LYS A 105 7.017 0.819 -10.831 1.00 0.00 H new ATOM 0 HG2 LYS A 105 8.330 1.620 -12.817 1.00 0.00 H new ATOM 0 HG3 LYS A 105 8.276 0.009 -13.503 1.00 0.00 H new ATOM 0 HD2 LYS A 105 5.766 0.102 -13.527 1.00 0.00 H new ATOM 0 HD3 LYS A 105 5.819 1.713 -12.839 1.00 0.00 H new ATOM 0 HE2 LYS A 105 5.618 2.079 -15.201 1.00 0.00 H new ATOM 0 HE3 LYS A 105 7.309 2.380 -14.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 6.871 0.888 -16.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 7.904 0.221 -15.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 6.285 -0.281 -15.720 1.00 0.00 H new ATOM 1623 N LEU A 106 9.359 1.921 -9.705 1.00 0.00 N ATOM 1624 CA LEU A 106 10.107 3.198 -9.483 1.00 0.00 C ATOM 1625 C LEU A 106 11.565 2.876 -9.133 1.00 0.00 C ATOM 1626 O LEU A 106 12.463 3.644 -9.414 1.00 0.00 O ATOM 1627 CB LEU A 106 9.469 3.995 -8.332 1.00 0.00 C ATOM 1628 CG LEU A 106 8.193 4.733 -8.799 1.00 0.00 C ATOM 1629 CD1 LEU A 106 8.543 5.969 -9.645 1.00 0.00 C ATOM 1630 CD2 LEU A 106 7.315 3.792 -9.627 1.00 0.00 C ATOM 0 H LEU A 106 8.583 1.754 -9.064 1.00 0.00 H new ATOM 0 HA LEU A 106 10.067 3.797 -10.393 1.00 0.00 H new ATOM 0 HB2 LEU A 106 9.222 3.320 -7.513 1.00 0.00 H new ATOM 0 HB3 LEU A 106 10.188 4.717 -7.944 1.00 0.00 H new ATOM 0 HG LEU A 106 7.653 5.058 -7.910 1.00 0.00 H new ATOM 0 HD11 LEU A 106 7.626 6.467 -9.959 1.00 0.00 H new ATOM 0 HD12 LEU A 106 9.145 6.657 -9.052 1.00 0.00 H new ATOM 0 HD13 LEU A 106 9.107 5.660 -10.525 1.00 0.00 H new ATOM 0 HD21 LEU A 106 6.419 4.321 -9.951 1.00 0.00 H new ATOM 0 HD22 LEU A 106 7.871 3.451 -10.500 1.00 0.00 H new ATOM 0 HD23 LEU A 106 7.029 2.933 -9.020 1.00 0.00 H new ATOM 1642 N PHE A 107 11.808 1.752 -8.514 1.00 0.00 N ATOM 1643 CA PHE A 107 13.209 1.397 -8.137 1.00 0.00 C ATOM 1644 C PHE A 107 14.072 1.328 -9.395 1.00 0.00 C ATOM 1645 O PHE A 107 15.215 1.737 -9.399 1.00 0.00 O ATOM 1646 CB PHE A 107 13.246 0.035 -7.447 1.00 0.00 C ATOM 1647 CG PHE A 107 14.672 -0.263 -7.044 1.00 0.00 C ATOM 1648 CD1 PHE A 107 15.224 0.367 -5.922 1.00 0.00 C ATOM 1649 CD2 PHE A 107 15.444 -1.159 -7.792 1.00 0.00 C ATOM 1650 CE1 PHE A 107 16.543 0.101 -5.545 1.00 0.00 C ATOM 1651 CE2 PHE A 107 16.765 -1.427 -7.416 1.00 0.00 C ATOM 1652 CZ PHE A 107 17.316 -0.797 -6.292 1.00 0.00 C ATOM 0 H PHE A 107 11.100 1.065 -8.253 1.00 0.00 H new ATOM 0 HA PHE A 107 13.589 2.159 -7.457 1.00 0.00 H new ATOM 0 HB2 PHE A 107 12.598 0.037 -6.571 1.00 0.00 H new ATOM 0 HB3 PHE A 107 12.873 -0.739 -8.118 1.00 0.00 H new ATOM 0 HD1 PHE A 107 14.629 1.060 -5.346 1.00 0.00 H new ATOM 0 HD2 PHE A 107 15.020 -1.644 -8.659 1.00 0.00 H new ATOM 0 HE1 PHE A 107 16.966 0.587 -4.678 1.00 0.00 H new ATOM 0 HE2 PHE A 107 17.360 -2.120 -7.992 1.00 0.00 H new ATOM 0 HZ PHE A 107 18.336 -1.004 -6.002 1.00 0.00 H new ATOM 1662 N ARG A 108 13.537 0.805 -10.458 1.00 0.00 N ATOM 1663 CA ARG A 108 14.328 0.701 -11.715 1.00 0.00 C ATOM 1664 C ARG A 108 14.752 2.100 -12.165 1.00 0.00 C ATOM 1665 O ARG A 108 15.846 2.298 -12.653 1.00 0.00 O ATOM 1666 CB ARG A 108 13.468 0.064 -12.806 1.00 0.00 C ATOM 1667 CG ARG A 108 13.233 -1.412 -12.487 1.00 0.00 C ATOM 1668 CD ARG A 108 12.368 -2.032 -13.586 1.00 0.00 C ATOM 1669 NE ARG A 108 13.059 -1.881 -14.899 1.00 0.00 N ATOM 1670 CZ ARG A 108 12.648 -2.556 -15.938 1.00 0.00 C ATOM 1671 NH1 ARG A 108 11.646 -3.381 -15.827 1.00 0.00 N ATOM 1672 NH2 ARG A 108 13.243 -2.407 -17.091 1.00 0.00 N ATOM 0 H ARG A 108 12.585 0.444 -10.513 1.00 0.00 H new ATOM 0 HA ARG A 108 15.211 0.087 -11.538 1.00 0.00 H new ATOM 0 HB2 ARG A 108 12.514 0.586 -12.880 1.00 0.00 H new ATOM 0 HB3 ARG A 108 13.961 0.162 -13.773 1.00 0.00 H new ATOM 0 HG2 ARG A 108 14.185 -1.938 -12.417 1.00 0.00 H new ATOM 0 HG3 ARG A 108 12.741 -1.514 -11.520 1.00 0.00 H new ATOM 0 HD2 ARG A 108 12.191 -3.086 -13.374 1.00 0.00 H new ATOM 0 HD3 ARG A 108 11.393 -1.545 -13.616 1.00 0.00 H new ATOM 0 HE ARG A 108 13.855 -1.249 -14.985 1.00 0.00 H new ATOM 0 HH11 ARG A 108 11.181 -3.500 -14.927 1.00 0.00 H new ATOM 0 HH12 ARG A 108 11.326 -3.907 -16.640 1.00 0.00 H new ATOM 0 HH21 ARG A 108 14.029 -1.763 -17.180 1.00 0.00 H new ATOM 0 HH22 ARG A 108 12.922 -2.935 -17.903 1.00 0.00 H new ATOM 1686 N GLU A 109 13.891 3.070 -12.017 1.00 0.00 N ATOM 1687 CA GLU A 109 14.244 4.455 -12.450 1.00 0.00 C ATOM 1688 C GLU A 109 14.976 5.189 -11.319 1.00 0.00 C ATOM 1689 O GLU A 109 15.471 6.284 -11.499 1.00 0.00 O ATOM 1690 CB GLU A 109 12.965 5.208 -12.815 1.00 0.00 C ATOM 1691 CG GLU A 109 12.379 4.605 -14.093 1.00 0.00 C ATOM 1692 CD GLU A 109 11.097 5.346 -14.475 1.00 0.00 C ATOM 1693 OE1 GLU A 109 10.628 6.133 -13.670 1.00 0.00 O ATOM 1694 OE2 GLU A 109 10.609 5.118 -15.570 1.00 0.00 O ATOM 0 H GLU A 109 12.959 2.965 -11.616 1.00 0.00 H new ATOM 0 HA GLU A 109 14.901 4.407 -13.319 1.00 0.00 H new ATOM 0 HB2 GLU A 109 12.243 5.140 -12.001 1.00 0.00 H new ATOM 0 HB3 GLU A 109 13.180 6.266 -12.962 1.00 0.00 H new ATOM 0 HG2 GLU A 109 13.104 4.673 -14.904 1.00 0.00 H new ATOM 0 HG3 GLU A 109 12.167 3.546 -13.943 1.00 0.00 H new ATOM 1701 N GLY A 110 15.054 4.596 -10.157 1.00 0.00 N ATOM 1702 CA GLY A 110 15.764 5.257 -9.024 1.00 0.00 C ATOM 1703 C GLY A 110 15.050 6.554 -8.646 1.00 0.00 C ATOM 1704 O GLY A 110 15.559 7.348 -7.880 1.00 0.00 O ATOM 0 H GLY A 110 14.656 3.681 -9.944 1.00 0.00 H new ATOM 0 HA2 GLY A 110 15.798 4.587 -8.165 1.00 0.00 H new ATOM 0 HA3 GLY A 110 16.796 5.469 -9.304 1.00 0.00 H new ATOM 1708 N ARG A 111 13.870 6.778 -9.166 1.00 0.00 N ATOM 1709 CA ARG A 111 13.131 8.028 -8.820 1.00 0.00 C ATOM 1710 C ARG A 111 12.211 7.745 -7.637 1.00 0.00 C ATOM 1711 O ARG A 111 11.137 7.194 -7.784 1.00 0.00 O ATOM 1712 CB ARG A 111 12.295 8.478 -10.017 1.00 0.00 C ATOM 1713 CG ARG A 111 13.229 8.925 -11.140 1.00 0.00 C ATOM 1714 CD ARG A 111 12.397 9.406 -12.328 1.00 0.00 C ATOM 1715 NE ARG A 111 11.608 10.602 -11.920 1.00 0.00 N ATOM 1716 CZ ARG A 111 11.041 11.350 -12.826 1.00 0.00 C ATOM 1717 NH1 ARG A 111 11.135 11.034 -14.087 1.00 0.00 N ATOM 1718 NH2 ARG A 111 10.374 12.412 -12.469 1.00 0.00 N ATOM 0 H ARG A 111 13.389 6.152 -9.812 1.00 0.00 H new ATOM 0 HA ARG A 111 13.839 8.815 -8.561 1.00 0.00 H new ATOM 0 HB2 ARG A 111 11.659 7.662 -10.360 1.00 0.00 H new ATOM 0 HB3 ARG A 111 11.635 9.296 -9.728 1.00 0.00 H new ATOM 0 HG2 ARG A 111 13.880 9.726 -10.790 1.00 0.00 H new ATOM 0 HG3 ARG A 111 13.873 8.100 -11.443 1.00 0.00 H new ATOM 0 HD2 ARG A 111 13.048 9.653 -13.167 1.00 0.00 H new ATOM 0 HD3 ARG A 111 11.730 8.613 -12.665 1.00 0.00 H new ATOM 0 HE ARG A 111 11.511 10.836 -10.932 1.00 0.00 H new ATOM 0 HH11 ARG A 111 11.652 10.201 -14.367 1.00 0.00 H new ATOM 0 HH12 ARG A 111 10.691 11.620 -14.794 1.00 0.00 H new ATOM 0 HH21 ARG A 111 10.296 12.657 -11.482 1.00 0.00 H new ATOM 0 HH22 ARG A 111 9.930 12.997 -13.177 1.00 0.00 H new ATOM 1732 N PHE A 112 12.638 8.109 -6.459 1.00 0.00 N ATOM 1733 CA PHE A 112 11.814 7.860 -5.242 1.00 0.00 C ATOM 1734 C PHE A 112 10.989 9.108 -4.914 1.00 0.00 C ATOM 1735 O PHE A 112 11.493 10.214 -4.900 1.00 0.00 O ATOM 1736 CB PHE A 112 12.754 7.525 -4.087 1.00 0.00 C ATOM 1737 CG PHE A 112 13.603 6.351 -4.503 1.00 0.00 C ATOM 1738 CD1 PHE A 112 13.084 5.057 -4.435 1.00 0.00 C ATOM 1739 CD2 PHE A 112 14.903 6.561 -4.979 1.00 0.00 C ATOM 1740 CE1 PHE A 112 13.863 3.971 -4.842 1.00 0.00 C ATOM 1741 CE2 PHE A 112 15.685 5.473 -5.383 1.00 0.00 C ATOM 1742 CZ PHE A 112 15.164 4.177 -5.316 1.00 0.00 C ATOM 0 H PHE A 112 13.530 8.572 -6.286 1.00 0.00 H new ATOM 0 HA PHE A 112 11.128 7.030 -5.410 1.00 0.00 H new ATOM 0 HB2 PHE A 112 13.382 8.383 -3.846 1.00 0.00 H new ATOM 0 HB3 PHE A 112 12.184 7.284 -3.189 1.00 0.00 H new ATOM 0 HD1 PHE A 112 12.081 4.895 -4.068 1.00 0.00 H new ATOM 0 HD2 PHE A 112 15.302 7.563 -5.034 1.00 0.00 H new ATOM 0 HE1 PHE A 112 13.461 2.970 -4.791 1.00 0.00 H new ATOM 0 HE2 PHE A 112 16.689 5.634 -5.746 1.00 0.00 H new ATOM 0 HZ PHE A 112 15.765 3.336 -5.630 1.00 0.00 H new ATOM 1752 N ASN A 113 9.722 8.938 -4.656 1.00 0.00 N ATOM 1753 CA ASN A 113 8.857 10.110 -4.335 1.00 0.00 C ATOM 1754 C ASN A 113 8.984 11.152 -5.447 1.00 0.00 C ATOM 1755 CB ASN A 113 9.296 10.734 -3.007 1.00 0.00 C ATOM 1756 CG ASN A 113 9.408 9.639 -1.944 1.00 0.00 C ATOM 1757 OD1 ASN A 113 8.992 8.521 -2.167 1.00 0.00 O ATOM 1758 ND2 ASN A 113 9.958 9.912 -0.789 1.00 0.00 N ATOM 1759 OXT ASN A 113 8.718 12.312 -5.177 1.00 0.00 O ATOM 0 H ASN A 113 9.246 8.036 -4.653 1.00 0.00 H new ATOM 0 HA ASN A 113 7.822 9.780 -4.253 1.00 0.00 H new ATOM 0 HB2 ASN A 113 10.255 11.238 -3.129 1.00 0.00 H new ATOM 0 HB3 ASN A 113 8.577 11.490 -2.692 1.00 0.00 H new ATOM 0 HD21 ASN A 113 10.037 9.186 -0.077 1.00 0.00 H new ATOM 0 HD22 ASN A 113 10.308 10.851 -0.600 1.00 0.00 H new