USER MOD reduce.3.24.130724 H: found=0, std=0, add=838, rem=0, adj=40 USER MOD reduce.3.24.130724 removed 836 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 16 GLN : amide:sc= -5.89! C(o=-13!,f=-16!) USER MOD Set 1.2: A 92 ASN : amide:sc= -2.01 K(o=-13,f=-17!) USER MOD Set 1.3: A 94 HIS : no HE2:sc= -5.1! C(o=-13!,f=-8.7!) USER MOD Set 2.1: A 40 THR OG1 : rot -87:sc= 1.29 USER MOD Set 2.2: A 51 TYR OH : rot 180:sc= 0.685 USER MOD Set 2.3: A 71 HIS : no HD1:sc= 0.566 K(o=2.5,f=-1.9!) USER MOD Set 3.1: A 55 TYR OH : rot 34:sc= -0.131 USER MOD Set 3.2: A 64 GLN : amide:sc= -1.68 K(o=-1.8,f=-0.21) USER MOD Set 4.1: A 54 TYR OH : rot 180:sc= 0.349 USER MOD Set 4.2: A 91 TYR OH : rot 8:sc= 0.353 USER MOD Set 5.1: A 35 THR OG1 : rot 180:sc= 0 USER MOD Set 5.2: A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ -123:sc= 0.0904 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 28:sc= 0.66 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= -0.356 USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 ASN : amide:sc= -1.37 K(o=-1.4,f=-4.6!) USER MOD Single : A 27 TYR OH : rot 180:sc= -0.184 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.465 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -1.47 K(o=-1.5,f=-2.7!) USER MOD Single : A 49 GLN : amide:sc= -7.99! C(o=-8!,f=-11!) USER MOD Single : A 50 ASN : amide:sc= -0.529 K(o=-0.53,f=-2.9!) USER MOD Single : A 52 LYS NZ :NH3+ -158:sc= 0.021 (180deg=-0.466) USER MOD Single : A 56 MET CE :methyl 168:sc= 0 (180deg=-0.127) USER MOD Single : A 58 LYS NZ :NH3+ 159:sc= -0.0426 (180deg=-0.345) USER MOD Single : A 60 THR OG1 : rot 63:sc= -0.0987 USER MOD Single : A 62 LYS NZ :NH3+ -123:sc= 0.0121 (180deg=-0.113) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 ASN : amide:sc= -1.69 K(o=-1.7,f=-0.061) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 THR OG1 : rot 59:sc= 0.0204 USER MOD Single : A 84 TYR OH : rot -111:sc= 1.12 USER MOD Single : A 85 SER OG : rot 180:sc= -0.903 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 SER OG : rot -100:sc= -0.562 USER MOD Single : A 100 THR OG1 : rot -86:sc= 1.53 USER MOD Single : A 107 THR OG1 : rot -76:sc= 1.59 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -18.232 -6.500 -18.343 1.00 0.00 N ATOM 2 CA GLY A 1 -17.148 -7.372 -18.755 1.00 0.00 C ATOM 3 C GLY A 1 -16.033 -7.435 -17.729 1.00 0.00 C ATOM 4 O GLY A 1 -16.189 -6.965 -16.603 1.00 0.00 O ATOM 0 H1 GLY A 1 -19.123 -7.036 -18.332 1.00 0.00 H new ATOM 0 H2 GLY A 1 -18.038 -6.132 -17.390 1.00 0.00 H new ATOM 0 H3 GLY A 1 -18.313 -5.707 -19.011 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -17.538 -8.376 -18.926 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -16.744 -7.021 -19.705 1.00 0.00 H new ATOM 8 N SER A 2 -14.905 -8.021 -18.119 1.00 0.00 N ATOM 9 CA SER A 2 -13.761 -8.149 -17.224 1.00 0.00 C ATOM 10 C SER A 2 -12.457 -8.201 -18.013 1.00 0.00 C ATOM 11 O SER A 2 -12.440 -8.584 -19.182 1.00 0.00 O ATOM 12 CB SER A 2 -13.900 -9.406 -16.363 1.00 0.00 C ATOM 13 OG SER A 2 -13.878 -10.576 -17.161 1.00 0.00 O ATOM 0 H SER A 2 -14.759 -8.414 -19.049 1.00 0.00 H new ATOM 0 HA SER A 2 -13.738 -7.273 -16.576 1.00 0.00 H new ATOM 0 HB2 SER A 2 -13.090 -9.443 -15.635 1.00 0.00 H new ATOM 0 HB3 SER A 2 -14.832 -9.364 -15.800 1.00 0.00 H new ATOM 0 HG SER A 2 -13.967 -11.365 -16.587 1.00 0.00 H new ATOM 19 N SER A 3 -11.364 -7.811 -17.364 1.00 0.00 N ATOM 20 CA SER A 3 -10.054 -7.808 -18.005 1.00 0.00 C ATOM 21 C SER A 3 -9.159 -8.895 -17.416 1.00 0.00 C ATOM 22 O SER A 3 -9.539 -9.581 -16.468 1.00 0.00 O ATOM 23 CB SER A 3 -9.387 -6.440 -17.844 1.00 0.00 C ATOM 24 OG SER A 3 -9.758 -5.566 -18.896 1.00 0.00 O ATOM 0 H SER A 3 -11.360 -7.493 -16.395 1.00 0.00 H new ATOM 0 HA SER A 3 -10.195 -8.013 -19.066 1.00 0.00 H new ATOM 0 HB2 SER A 3 -9.671 -6.003 -16.887 1.00 0.00 H new ATOM 0 HB3 SER A 3 -8.304 -6.559 -17.831 1.00 0.00 H new ATOM 0 HG SER A 3 -9.321 -4.698 -18.770 1.00 0.00 H new ATOM 30 N GLY A 4 -7.968 -9.045 -17.987 1.00 0.00 N ATOM 31 CA GLY A 4 -7.037 -10.050 -17.508 1.00 0.00 C ATOM 32 C GLY A 4 -5.649 -9.881 -18.094 1.00 0.00 C ATOM 33 O GLY A 4 -5.398 -8.944 -18.852 1.00 0.00 O ATOM 0 H GLY A 4 -7.631 -8.489 -18.773 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -6.978 -9.997 -16.421 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -7.416 -11.041 -17.759 1.00 0.00 H new ATOM 37 N SER A 5 -4.745 -10.790 -17.741 1.00 0.00 N ATOM 38 CA SER A 5 -3.374 -10.734 -18.234 1.00 0.00 C ATOM 39 C SER A 5 -2.716 -12.109 -18.164 1.00 0.00 C ATOM 40 O SER A 5 -3.095 -12.950 -17.349 1.00 0.00 O ATOM 41 CB SER A 5 -2.559 -9.724 -17.423 1.00 0.00 C ATOM 42 OG SER A 5 -2.757 -8.406 -17.905 1.00 0.00 O ATOM 0 H SER A 5 -4.937 -11.573 -17.116 1.00 0.00 H new ATOM 0 HA SER A 5 -3.401 -10.415 -19.276 1.00 0.00 H new ATOM 0 HB2 SER A 5 -2.847 -9.778 -16.373 1.00 0.00 H new ATOM 0 HB3 SER A 5 -1.501 -9.979 -17.476 1.00 0.00 H new ATOM 0 HG SER A 5 -3.643 -8.338 -18.318 1.00 0.00 H new ATOM 48 N SER A 6 -1.727 -12.329 -19.024 1.00 0.00 N ATOM 49 CA SER A 6 -1.017 -13.602 -19.063 1.00 0.00 C ATOM 50 C SER A 6 0.262 -13.486 -19.887 1.00 0.00 C ATOM 51 O SER A 6 0.521 -12.457 -20.510 1.00 0.00 O ATOM 52 CB SER A 6 -1.916 -14.694 -19.647 1.00 0.00 C ATOM 53 OG SER A 6 -1.458 -15.983 -19.280 1.00 0.00 O ATOM 0 H SER A 6 -1.399 -11.642 -19.703 1.00 0.00 H new ATOM 0 HA SER A 6 -0.747 -13.871 -18.042 1.00 0.00 H new ATOM 0 HB2 SER A 6 -2.938 -14.554 -19.295 1.00 0.00 H new ATOM 0 HB3 SER A 6 -1.938 -14.608 -20.733 1.00 0.00 H new ATOM 0 HG SER A 6 -2.051 -16.662 -19.664 1.00 0.00 H new ATOM 59 N GLY A 7 1.058 -14.551 -19.886 1.00 0.00 N ATOM 60 CA GLY A 7 2.301 -14.549 -20.636 1.00 0.00 C ATOM 61 C GLY A 7 3.497 -14.907 -19.776 1.00 0.00 C ATOM 62 O GLY A 7 4.272 -14.034 -19.385 1.00 0.00 O ATOM 0 H GLY A 7 0.865 -15.415 -19.379 1.00 0.00 H new ATOM 0 HA2 GLY A 7 2.225 -15.257 -21.461 1.00 0.00 H new ATOM 0 HA3 GLY A 7 2.455 -13.563 -21.075 1.00 0.00 H new ATOM 66 N ARG A 8 3.647 -16.194 -19.481 1.00 0.00 N ATOM 67 CA ARG A 8 4.756 -16.665 -18.660 1.00 0.00 C ATOM 68 C ARG A 8 6.079 -16.545 -19.412 1.00 0.00 C ATOM 69 O ARG A 8 6.522 -17.490 -20.064 1.00 0.00 O ATOM 70 CB ARG A 8 4.527 -18.117 -18.239 1.00 0.00 C ATOM 71 CG ARG A 8 3.387 -18.291 -17.248 1.00 0.00 C ATOM 72 CD ARG A 8 3.809 -17.904 -15.840 1.00 0.00 C ATOM 73 NE ARG A 8 4.382 -19.032 -15.110 1.00 0.00 N ATOM 74 CZ ARG A 8 3.679 -20.090 -14.723 1.00 0.00 C ATOM 75 NH1 ARG A 8 2.383 -20.166 -14.996 1.00 0.00 N ATOM 76 NH2 ARG A 8 4.272 -21.077 -14.063 1.00 0.00 N ATOM 0 H ARG A 8 3.015 -16.929 -19.798 1.00 0.00 H new ATOM 0 HA ARG A 8 4.806 -16.039 -17.769 1.00 0.00 H new ATOM 0 HB2 ARG A 8 4.320 -18.715 -19.126 1.00 0.00 H new ATOM 0 HB3 ARG A 8 5.444 -18.507 -17.797 1.00 0.00 H new ATOM 0 HG2 ARG A 8 2.539 -17.679 -17.556 1.00 0.00 H new ATOM 0 HG3 ARG A 8 3.051 -19.328 -17.256 1.00 0.00 H new ATOM 0 HD2 ARG A 8 4.539 -17.096 -15.890 1.00 0.00 H new ATOM 0 HD3 ARG A 8 2.946 -17.521 -15.296 1.00 0.00 H new ATOM 0 HE ARG A 8 5.377 -19.006 -14.885 1.00 0.00 H new ATOM 0 HH11 ARG A 8 1.924 -19.410 -15.505 1.00 0.00 H new ATOM 0 HH12 ARG A 8 1.846 -20.980 -14.697 1.00 0.00 H new ATOM 0 HH21 ARG A 8 5.269 -21.023 -13.853 1.00 0.00 H new ATOM 0 HH22 ARG A 8 3.731 -21.889 -13.766 1.00 0.00 H new ATOM 90 N VAL A 9 6.704 -15.376 -19.316 1.00 0.00 N ATOM 91 CA VAL A 9 7.976 -15.132 -19.986 1.00 0.00 C ATOM 92 C VAL A 9 9.075 -14.813 -18.980 1.00 0.00 C ATOM 93 O VAL A 9 8.910 -13.949 -18.118 1.00 0.00 O ATOM 94 CB VAL A 9 7.866 -13.973 -20.994 1.00 0.00 C ATOM 95 CG1 VAL A 9 6.900 -14.329 -22.114 1.00 0.00 C ATOM 96 CG2 VAL A 9 7.432 -12.695 -20.291 1.00 0.00 C ATOM 0 H VAL A 9 6.350 -14.583 -18.781 1.00 0.00 H new ATOM 0 HA VAL A 9 8.232 -16.046 -20.521 1.00 0.00 H new ATOM 0 HB VAL A 9 8.849 -13.803 -21.434 1.00 0.00 H new ATOM 0 HG11 VAL A 9 6.835 -13.498 -22.816 1.00 0.00 H new ATOM 0 HG12 VAL A 9 7.258 -15.217 -22.635 1.00 0.00 H new ATOM 0 HG13 VAL A 9 5.914 -14.527 -21.695 1.00 0.00 H new ATOM 0 HG21 VAL A 9 7.359 -11.886 -21.018 1.00 0.00 H new ATOM 0 HG22 VAL A 9 6.460 -12.850 -19.822 1.00 0.00 H new ATOM 0 HG23 VAL A 9 8.165 -12.432 -19.528 1.00 0.00 H new ATOM 106 N GLU A 10 10.198 -15.515 -19.095 1.00 0.00 N ATOM 107 CA GLU A 10 11.325 -15.306 -18.194 1.00 0.00 C ATOM 108 C GLU A 10 11.870 -13.886 -18.324 1.00 0.00 C ATOM 109 O GLU A 10 12.799 -13.633 -19.092 1.00 0.00 O ATOM 110 CB GLU A 10 12.435 -16.318 -18.486 1.00 0.00 C ATOM 111 CG GLU A 10 12.126 -17.720 -17.987 1.00 0.00 C ATOM 112 CD GLU A 10 13.065 -18.763 -18.561 1.00 0.00 C ATOM 113 OE1 GLU A 10 13.075 -18.935 -19.798 1.00 0.00 O ATOM 114 OE2 GLU A 10 13.790 -19.408 -17.775 1.00 0.00 O ATOM 0 H GLU A 10 10.351 -16.233 -19.803 1.00 0.00 H new ATOM 0 HA GLU A 10 10.972 -15.449 -17.173 1.00 0.00 H new ATOM 0 HB2 GLU A 10 12.609 -16.354 -19.561 1.00 0.00 H new ATOM 0 HB3 GLU A 10 13.360 -15.973 -18.025 1.00 0.00 H new ATOM 0 HG2 GLU A 10 12.191 -17.737 -16.899 1.00 0.00 H new ATOM 0 HG3 GLU A 10 11.100 -17.977 -18.249 1.00 0.00 H new ATOM 121 N THR A 11 11.285 -12.963 -17.568 1.00 0.00 N ATOM 122 CA THR A 11 11.709 -11.569 -17.599 1.00 0.00 C ATOM 123 C THR A 11 12.088 -11.078 -16.206 1.00 0.00 C ATOM 124 O THR A 11 11.258 -10.522 -15.488 1.00 0.00 O ATOM 125 CB THR A 11 10.605 -10.658 -18.169 1.00 0.00 C ATOM 126 OG1 THR A 11 10.162 -11.159 -19.435 1.00 0.00 O ATOM 127 CG2 THR A 11 11.109 -9.232 -18.330 1.00 0.00 C ATOM 0 H THR A 11 10.516 -13.156 -16.926 1.00 0.00 H new ATOM 0 HA THR A 11 12.583 -11.519 -18.249 1.00 0.00 H new ATOM 0 HB THR A 11 9.770 -10.654 -17.468 1.00 0.00 H new ATOM 0 HG1 THR A 11 9.459 -10.576 -19.790 1.00 0.00 H new ATOM 0 HG21 THR A 11 10.312 -8.608 -18.734 1.00 0.00 H new ATOM 0 HG22 THR A 11 11.418 -8.843 -17.360 1.00 0.00 H new ATOM 0 HG23 THR A 11 11.959 -9.221 -19.012 1.00 0.00 H new ATOM 135 N GLN A 12 13.346 -11.286 -15.833 1.00 0.00 N ATOM 136 CA GLN A 12 13.834 -10.865 -14.525 1.00 0.00 C ATOM 137 C GLN A 12 13.713 -9.353 -14.360 1.00 0.00 C ATOM 138 O GLN A 12 13.771 -8.593 -15.327 1.00 0.00 O ATOM 139 CB GLN A 12 15.290 -11.295 -14.337 1.00 0.00 C ATOM 140 CG GLN A 12 16.267 -10.537 -15.220 1.00 0.00 C ATOM 141 CD GLN A 12 17.712 -10.901 -14.937 1.00 0.00 C ATOM 142 OE1 GLN A 12 18.228 -10.642 -13.850 1.00 0.00 O ATOM 143 NE2 GLN A 12 18.373 -11.505 -15.918 1.00 0.00 N ATOM 0 H GLN A 12 14.046 -11.743 -16.417 1.00 0.00 H new ATOM 0 HA GLN A 12 13.220 -11.346 -13.764 1.00 0.00 H new ATOM 0 HB2 GLN A 12 15.570 -11.152 -13.293 1.00 0.00 H new ATOM 0 HB3 GLN A 12 15.375 -12.361 -14.547 1.00 0.00 H new ATOM 0 HG2 GLN A 12 16.042 -10.745 -16.266 1.00 0.00 H new ATOM 0 HG3 GLN A 12 16.130 -9.466 -15.071 1.00 0.00 H new ATOM 0 HE21 GLN A 12 17.905 -11.700 -16.803 1.00 0.00 H new ATOM 0 HE22 GLN A 12 19.348 -11.773 -15.786 1.00 0.00 H new ATOM 152 N PRO A 13 13.542 -8.905 -13.108 1.00 0.00 N ATOM 153 CA PRO A 13 13.410 -7.481 -12.787 1.00 0.00 C ATOM 154 C PRO A 13 14.715 -6.719 -12.986 1.00 0.00 C ATOM 155 O PRO A 13 15.790 -7.316 -13.044 1.00 0.00 O ATOM 156 CB PRO A 13 13.012 -7.485 -11.309 1.00 0.00 C ATOM 157 CG PRO A 13 13.549 -8.768 -10.776 1.00 0.00 C ATOM 158 CD PRO A 13 13.464 -9.755 -11.908 1.00 0.00 C ATOM 0 HA PRO A 13 12.689 -6.982 -13.435 1.00 0.00 H new ATOM 0 HB2 PRO A 13 13.435 -6.630 -10.783 1.00 0.00 H new ATOM 0 HB3 PRO A 13 11.930 -7.429 -11.190 1.00 0.00 H new ATOM 0 HG2 PRO A 13 14.578 -8.650 -10.438 1.00 0.00 H new ATOM 0 HG3 PRO A 13 12.969 -9.107 -9.918 1.00 0.00 H new ATOM 0 HD2 PRO A 13 14.280 -10.477 -11.873 1.00 0.00 H new ATOM 0 HD3 PRO A 13 12.534 -10.323 -11.877 1.00 0.00 H new ATOM 166 N GLU A 14 14.614 -5.397 -13.088 1.00 0.00 N ATOM 167 CA GLU A 14 15.788 -4.554 -13.280 1.00 0.00 C ATOM 168 C GLU A 14 16.219 -3.914 -11.963 1.00 0.00 C ATOM 169 O GLU A 14 15.649 -4.192 -10.908 1.00 0.00 O ATOM 170 CB GLU A 14 15.499 -3.468 -14.318 1.00 0.00 C ATOM 171 CG GLU A 14 15.792 -3.897 -15.745 1.00 0.00 C ATOM 172 CD GLU A 14 14.862 -4.993 -16.228 1.00 0.00 C ATOM 173 OE1 GLU A 14 13.664 -4.949 -15.878 1.00 0.00 O ATOM 174 OE2 GLU A 14 15.331 -5.893 -16.954 1.00 0.00 O ATOM 0 H GLU A 14 13.732 -4.887 -13.041 1.00 0.00 H new ATOM 0 HA GLU A 14 16.601 -5.184 -13.641 1.00 0.00 H new ATOM 0 HB2 GLU A 14 14.452 -3.175 -14.243 1.00 0.00 H new ATOM 0 HB3 GLU A 14 16.094 -2.585 -14.083 1.00 0.00 H new ATOM 0 HG2 GLU A 14 15.704 -3.034 -16.405 1.00 0.00 H new ATOM 0 HG3 GLU A 14 16.823 -4.245 -15.811 1.00 0.00 H new ATOM 181 N VAL A 15 17.231 -3.055 -12.033 1.00 0.00 N ATOM 182 CA VAL A 15 17.740 -2.374 -10.849 1.00 0.00 C ATOM 183 C VAL A 15 17.484 -0.873 -10.925 1.00 0.00 C ATOM 184 O VAL A 15 17.509 -0.177 -9.911 1.00 0.00 O ATOM 185 CB VAL A 15 19.249 -2.618 -10.665 1.00 0.00 C ATOM 186 CG1 VAL A 15 19.523 -4.089 -10.394 1.00 0.00 C ATOM 187 CG2 VAL A 15 20.018 -2.141 -11.888 1.00 0.00 C ATOM 0 H VAL A 15 17.715 -2.814 -12.898 1.00 0.00 H new ATOM 0 HA VAL A 15 17.206 -2.788 -9.993 1.00 0.00 H new ATOM 0 HB VAL A 15 19.590 -2.045 -9.803 1.00 0.00 H new ATOM 0 HG11 VAL A 15 20.595 -4.242 -10.267 1.00 0.00 H new ATOM 0 HG12 VAL A 15 19.002 -4.395 -9.487 1.00 0.00 H new ATOM 0 HG13 VAL A 15 19.169 -4.686 -11.234 1.00 0.00 H new ATOM 0 HG21 VAL A 15 21.083 -2.321 -11.741 1.00 0.00 H new ATOM 0 HG22 VAL A 15 19.676 -2.686 -12.768 1.00 0.00 H new ATOM 0 HG23 VAL A 15 19.847 -1.074 -12.032 1.00 0.00 H new ATOM 197 N GLN A 16 17.238 -0.381 -12.135 1.00 0.00 N ATOM 198 CA GLN A 16 16.978 1.038 -12.344 1.00 0.00 C ATOM 199 C GLN A 16 15.508 1.364 -12.101 1.00 0.00 C ATOM 200 O GLN A 16 14.909 2.159 -12.827 1.00 0.00 O ATOM 201 CB GLN A 16 17.376 1.448 -13.763 1.00 0.00 C ATOM 202 CG GLN A 16 16.573 0.746 -14.847 1.00 0.00 C ATOM 203 CD GLN A 16 15.336 1.523 -15.253 1.00 0.00 C ATOM 204 OE1 GLN A 16 14.209 1.090 -15.011 1.00 0.00 O ATOM 205 NE2 GLN A 16 15.541 2.678 -15.875 1.00 0.00 N ATOM 0 H GLN A 16 17.213 -0.944 -12.985 1.00 0.00 H new ATOM 0 HA GLN A 16 17.579 1.600 -11.629 1.00 0.00 H new ATOM 0 HB2 GLN A 16 17.250 2.525 -13.870 1.00 0.00 H new ATOM 0 HB3 GLN A 16 18.435 1.234 -13.911 1.00 0.00 H new ATOM 0 HG2 GLN A 16 17.205 0.594 -15.722 1.00 0.00 H new ATOM 0 HG3 GLN A 16 16.277 -0.241 -14.493 1.00 0.00 H new ATOM 0 HE21 GLN A 16 16.492 2.998 -16.055 1.00 0.00 H new ATOM 0 HE22 GLN A 16 14.747 3.245 -16.173 1.00 0.00 H new ATOM 214 N LEU A 17 14.931 0.745 -11.077 1.00 0.00 N ATOM 215 CA LEU A 17 13.530 0.968 -10.739 1.00 0.00 C ATOM 216 C LEU A 17 13.374 2.196 -9.848 1.00 0.00 C ATOM 217 O LEU A 17 14.326 2.666 -9.223 1.00 0.00 O ATOM 218 CB LEU A 17 12.952 -0.262 -10.036 1.00 0.00 C ATOM 219 CG LEU A 17 12.352 -1.334 -10.946 1.00 0.00 C ATOM 220 CD1 LEU A 17 11.126 -0.797 -11.668 1.00 0.00 C ATOM 221 CD2 LEU A 17 13.389 -1.826 -11.946 1.00 0.00 C ATOM 0 H LEU A 17 15.412 0.085 -10.466 1.00 0.00 H new ATOM 0 HA LEU A 17 12.982 1.141 -11.665 1.00 0.00 H new ATOM 0 HB2 LEU A 17 13.742 -0.720 -9.440 1.00 0.00 H new ATOM 0 HB3 LEU A 17 12.180 0.070 -9.341 1.00 0.00 H new ATOM 0 HG LEU A 17 12.044 -2.177 -10.328 1.00 0.00 H new ATOM 0 HD11 LEU A 17 10.713 -1.574 -12.311 1.00 0.00 H new ATOM 0 HD12 LEU A 17 10.376 -0.495 -10.937 1.00 0.00 H new ATOM 0 HD13 LEU A 17 11.409 0.063 -12.275 1.00 0.00 H new ATOM 0 HD21 LEU A 17 12.945 -2.589 -12.586 1.00 0.00 H new ATOM 0 HD22 LEU A 17 13.728 -0.991 -12.559 1.00 0.00 H new ATOM 0 HD23 LEU A 17 14.238 -2.251 -11.410 1.00 0.00 H new ATOM 233 N PRO A 18 12.145 2.730 -9.784 1.00 0.00 N ATOM 234 CA PRO A 18 11.835 3.909 -8.970 1.00 0.00 C ATOM 235 C PRO A 18 11.890 3.612 -7.476 1.00 0.00 C ATOM 236 O PRO A 18 11.705 2.472 -7.052 1.00 0.00 O ATOM 237 CB PRO A 18 10.408 4.266 -9.393 1.00 0.00 C ATOM 238 CG PRO A 18 9.825 2.985 -9.881 1.00 0.00 C ATOM 239 CD PRO A 18 10.964 2.223 -10.502 1.00 0.00 C ATOM 0 HA PRO A 18 12.554 4.713 -9.126 1.00 0.00 H new ATOM 0 HB2 PRO A 18 9.836 4.668 -8.557 1.00 0.00 H new ATOM 0 HB3 PRO A 18 10.405 5.025 -10.175 1.00 0.00 H new ATOM 0 HG2 PRO A 18 9.379 2.422 -9.061 1.00 0.00 H new ATOM 0 HG3 PRO A 18 9.035 3.168 -10.609 1.00 0.00 H new ATOM 0 HD2 PRO A 18 10.846 1.147 -10.372 1.00 0.00 H new ATOM 0 HD3 PRO A 18 11.035 2.409 -11.574 1.00 0.00 H new ATOM 247 N GLY A 19 12.145 4.647 -6.680 1.00 0.00 N ATOM 248 CA GLY A 19 12.219 4.476 -5.241 1.00 0.00 C ATOM 249 C GLY A 19 10.851 4.335 -4.603 1.00 0.00 C ATOM 250 O GLY A 19 9.822 4.596 -5.226 1.00 0.00 O ATOM 0 H GLY A 19 12.302 5.601 -7.007 1.00 0.00 H new ATOM 0 HA2 GLY A 19 12.816 3.593 -5.013 1.00 0.00 H new ATOM 0 HA3 GLY A 19 12.735 5.330 -4.803 1.00 0.00 H new ATOM 254 N PRO A 20 10.828 3.912 -3.330 1.00 0.00 N ATOM 255 CA PRO A 20 9.583 3.727 -2.580 1.00 0.00 C ATOM 256 C PRO A 20 8.899 5.051 -2.255 1.00 0.00 C ATOM 257 O PRO A 20 9.547 6.005 -1.824 1.00 0.00 O ATOM 258 CB PRO A 20 10.042 3.033 -1.295 1.00 0.00 C ATOM 259 CG PRO A 20 11.466 3.440 -1.134 1.00 0.00 C ATOM 260 CD PRO A 20 12.017 3.583 -2.526 1.00 0.00 C ATOM 0 HA PRO A 20 8.846 3.159 -3.148 1.00 0.00 H new ATOM 0 HB2 PRO A 20 9.442 3.345 -0.440 1.00 0.00 H new ATOM 0 HB3 PRO A 20 9.946 1.950 -1.374 1.00 0.00 H new ATOM 0 HG2 PRO A 20 11.544 4.379 -0.585 1.00 0.00 H new ATOM 0 HG3 PRO A 20 12.024 2.693 -0.569 1.00 0.00 H new ATOM 0 HD2 PRO A 20 12.770 4.369 -2.582 1.00 0.00 H new ATOM 0 HD3 PRO A 20 12.491 2.663 -2.867 1.00 0.00 H new ATOM 268 N ALA A 21 7.588 5.102 -2.464 1.00 0.00 N ATOM 269 CA ALA A 21 6.817 6.308 -2.190 1.00 0.00 C ATOM 270 C ALA A 21 6.967 6.737 -0.735 1.00 0.00 C ATOM 271 O ALA A 21 6.468 6.086 0.184 1.00 0.00 O ATOM 272 CB ALA A 21 5.350 6.085 -2.529 1.00 0.00 C ATOM 0 H ALA A 21 7.037 4.322 -2.822 1.00 0.00 H new ATOM 0 HA ALA A 21 7.206 7.109 -2.819 1.00 0.00 H new ATOM 0 HB1 ALA A 21 4.786 6.994 -2.319 1.00 0.00 H new ATOM 0 HB2 ALA A 21 5.255 5.834 -3.585 1.00 0.00 H new ATOM 0 HB3 ALA A 21 4.957 5.267 -1.925 1.00 0.00 H new ATOM 278 N PRO A 22 7.670 7.858 -0.517 1.00 0.00 N ATOM 279 CA PRO A 22 7.902 8.399 0.826 1.00 0.00 C ATOM 280 C PRO A 22 6.630 8.958 1.453 1.00 0.00 C ATOM 281 O PRO A 22 5.555 8.902 0.856 1.00 0.00 O ATOM 282 CB PRO A 22 8.917 9.519 0.587 1.00 0.00 C ATOM 283 CG PRO A 22 8.701 9.931 -0.829 1.00 0.00 C ATOM 284 CD PRO A 22 8.293 8.685 -1.565 1.00 0.00 C ATOM 0 HA PRO A 22 8.248 7.633 1.520 1.00 0.00 H new ATOM 0 HB2 PRO A 22 8.755 10.352 1.271 1.00 0.00 H new ATOM 0 HB3 PRO A 22 9.937 9.169 0.746 1.00 0.00 H new ATOM 0 HG2 PRO A 22 7.928 10.696 -0.899 1.00 0.00 H new ATOM 0 HG3 PRO A 22 9.610 10.356 -1.255 1.00 0.00 H new ATOM 0 HD2 PRO A 22 7.594 8.906 -2.372 1.00 0.00 H new ATOM 0 HD3 PRO A 22 9.151 8.185 -2.015 1.00 0.00 H new ATOM 292 N ASN A 23 6.759 9.499 2.660 1.00 0.00 N ATOM 293 CA ASN A 23 5.618 10.070 3.368 1.00 0.00 C ATOM 294 C ASN A 23 4.401 9.155 3.264 1.00 0.00 C ATOM 295 O ASN A 23 3.281 9.617 3.044 1.00 0.00 O ATOM 296 CB ASN A 23 5.281 11.452 2.806 1.00 0.00 C ATOM 297 CG ASN A 23 6.482 12.378 2.788 1.00 0.00 C ATOM 298 OD1 ASN A 23 6.859 12.904 1.741 1.00 0.00 O ATOM 299 ND2 ASN A 23 7.090 12.580 3.952 1.00 0.00 N ATOM 0 H ASN A 23 7.642 9.554 3.168 1.00 0.00 H new ATOM 0 HA ASN A 23 5.887 10.170 4.419 1.00 0.00 H new ATOM 0 HB2 ASN A 23 4.893 11.344 1.793 1.00 0.00 H new ATOM 0 HB3 ASN A 23 4.488 11.901 3.404 1.00 0.00 H new ATOM 0 HD21 ASN A 23 7.904 13.192 4.003 1.00 0.00 H new ATOM 0 HD22 ASN A 23 6.742 12.123 4.795 1.00 0.00 H new ATOM 306 N LEU A 24 4.629 7.856 3.425 1.00 0.00 N ATOM 307 CA LEU A 24 3.551 6.876 3.350 1.00 0.00 C ATOM 308 C LEU A 24 2.723 6.879 4.631 1.00 0.00 C ATOM 309 O LEU A 24 3.137 6.327 5.651 1.00 0.00 O ATOM 310 CB LEU A 24 4.122 5.479 3.101 1.00 0.00 C ATOM 311 CG LEU A 24 3.099 4.353 2.950 1.00 0.00 C ATOM 312 CD1 LEU A 24 2.208 4.599 1.742 1.00 0.00 C ATOM 313 CD2 LEU A 24 3.800 3.007 2.832 1.00 0.00 C ATOM 0 H LEU A 24 5.550 7.457 3.608 1.00 0.00 H new ATOM 0 HA LEU A 24 2.901 7.149 2.519 1.00 0.00 H new ATOM 0 HB2 LEU A 24 4.731 5.513 2.198 1.00 0.00 H new ATOM 0 HB3 LEU A 24 4.789 5.229 3.926 1.00 0.00 H new ATOM 0 HG LEU A 24 2.472 4.337 3.841 1.00 0.00 H new ATOM 0 HD11 LEU A 24 1.486 3.787 1.651 1.00 0.00 H new ATOM 0 HD12 LEU A 24 1.678 5.543 1.867 1.00 0.00 H new ATOM 0 HD13 LEU A 24 2.820 4.643 0.841 1.00 0.00 H new ATOM 0 HD21 LEU A 24 3.056 2.217 2.725 1.00 0.00 H new ATOM 0 HD22 LEU A 24 4.452 3.012 1.959 1.00 0.00 H new ATOM 0 HD23 LEU A 24 4.395 2.827 3.728 1.00 0.00 H new ATOM 325 N ARG A 25 1.550 7.501 4.570 1.00 0.00 N ATOM 326 CA ARG A 25 0.663 7.574 5.725 1.00 0.00 C ATOM 327 C ARG A 25 -0.599 6.749 5.494 1.00 0.00 C ATOM 328 O ARG A 25 -0.921 6.393 4.361 1.00 0.00 O ATOM 329 CB ARG A 25 0.289 9.029 6.016 1.00 0.00 C ATOM 330 CG ARG A 25 1.487 9.960 6.105 1.00 0.00 C ATOM 331 CD ARG A 25 2.176 9.853 7.456 1.00 0.00 C ATOM 332 NE ARG A 25 1.407 10.500 8.516 1.00 0.00 N ATOM 333 CZ ARG A 25 1.468 10.139 9.793 1.00 0.00 C ATOM 334 NH1 ARG A 25 2.259 9.143 10.167 1.00 0.00 N ATOM 335 NH2 ARG A 25 0.737 10.776 10.699 1.00 0.00 N ATOM 0 H ARG A 25 1.192 7.962 3.733 1.00 0.00 H new ATOM 0 HA ARG A 25 1.192 7.163 6.585 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -0.381 9.386 5.234 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -0.264 9.072 6.954 1.00 0.00 H new ATOM 0 HG2 ARG A 25 2.196 9.719 5.313 1.00 0.00 H new ATOM 0 HG3 ARG A 25 1.163 10.988 5.941 1.00 0.00 H new ATOM 0 HD2 ARG A 25 2.324 8.802 7.705 1.00 0.00 H new ATOM 0 HD3 ARG A 25 3.164 10.308 7.396 1.00 0.00 H new ATOM 0 HE ARG A 25 0.789 11.271 8.262 1.00 0.00 H new ATOM 0 HH11 ARG A 25 2.823 8.652 9.474 1.00 0.00 H new ATOM 0 HH12 ARG A 25 2.304 8.868 11.148 1.00 0.00 H new ATOM 0 HH21 ARG A 25 0.128 11.543 10.415 1.00 0.00 H new ATOM 0 HH22 ARG A 25 0.784 10.498 11.679 1.00 0.00 H new ATOM 349 N ALA A 26 -1.310 6.449 6.576 1.00 0.00 N ATOM 350 CA ALA A 26 -2.538 5.667 6.491 1.00 0.00 C ATOM 351 C ALA A 26 -3.395 5.855 7.738 1.00 0.00 C ATOM 352 O ALA A 26 -2.923 5.675 8.861 1.00 0.00 O ATOM 353 CB ALA A 26 -2.213 4.195 6.288 1.00 0.00 C ATOM 0 H ALA A 26 -1.057 6.735 7.522 1.00 0.00 H new ATOM 0 HA ALA A 26 -3.108 6.023 5.633 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -3.139 3.623 6.226 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -1.648 4.071 5.364 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -1.619 3.834 7.128 1.00 0.00 H new ATOM 359 N TYR A 27 -4.657 6.217 7.534 1.00 0.00 N ATOM 360 CA TYR A 27 -5.579 6.432 8.642 1.00 0.00 C ATOM 361 C TYR A 27 -6.984 5.959 8.281 1.00 0.00 C ATOM 362 O TYR A 27 -7.391 6.015 7.121 1.00 0.00 O ATOM 363 CB TYR A 27 -5.610 7.912 9.028 1.00 0.00 C ATOM 364 CG TYR A 27 -5.839 8.838 7.855 1.00 0.00 C ATOM 365 CD1 TYR A 27 -4.786 9.227 7.036 1.00 0.00 C ATOM 366 CD2 TYR A 27 -7.108 9.324 7.565 1.00 0.00 C ATOM 367 CE1 TYR A 27 -4.990 10.074 5.964 1.00 0.00 C ATOM 368 CE2 TYR A 27 -7.322 10.170 6.494 1.00 0.00 C ATOM 369 CZ TYR A 27 -6.260 10.543 5.697 1.00 0.00 C ATOM 370 OH TYR A 27 -6.468 11.385 4.629 1.00 0.00 O ATOM 0 H TYR A 27 -5.064 6.368 6.611 1.00 0.00 H new ATOM 0 HA TYR A 27 -5.226 5.849 9.493 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -6.398 8.070 9.765 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -4.667 8.174 9.508 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -3.791 8.861 7.241 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -7.942 9.035 8.188 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -4.160 10.368 5.338 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -8.315 10.537 6.282 1.00 0.00 H new ATOM 0 HH TYR A 27 -7.418 11.622 4.579 1.00 0.00 H new ATOM 380 N ALA A 28 -7.721 5.494 9.285 1.00 0.00 N ATOM 381 CA ALA A 28 -9.081 5.014 9.075 1.00 0.00 C ATOM 382 C ALA A 28 -10.092 6.146 9.228 1.00 0.00 C ATOM 383 O ALA A 28 -10.327 6.637 10.331 1.00 0.00 O ATOM 384 CB ALA A 28 -9.398 3.886 10.046 1.00 0.00 C ATOM 0 H ALA A 28 -7.399 5.440 10.251 1.00 0.00 H new ATOM 0 HA ALA A 28 -9.153 4.633 8.056 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -10.417 3.537 9.878 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -8.702 3.063 9.887 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -9.303 4.249 11.069 1.00 0.00 H new ATOM 390 N ALA A 29 -10.687 6.555 8.112 1.00 0.00 N ATOM 391 CA ALA A 29 -11.674 7.628 8.123 1.00 0.00 C ATOM 392 C ALA A 29 -13.011 7.139 8.669 1.00 0.00 C ATOM 393 O ALA A 29 -13.695 7.858 9.398 1.00 0.00 O ATOM 394 CB ALA A 29 -11.851 8.196 6.722 1.00 0.00 C ATOM 0 H ALA A 29 -10.503 6.160 7.190 1.00 0.00 H new ATOM 0 HA ALA A 29 -11.309 8.417 8.781 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -12.591 8.996 6.745 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -10.899 8.591 6.367 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -12.190 7.408 6.050 1.00 0.00 H new ATOM 400 N SER A 30 -13.378 5.912 8.312 1.00 0.00 N ATOM 401 CA SER A 30 -14.636 5.329 8.764 1.00 0.00 C ATOM 402 C SER A 30 -14.447 3.866 9.155 1.00 0.00 C ATOM 403 O SER A 30 -13.503 3.201 8.730 1.00 0.00 O ATOM 404 CB SER A 30 -15.698 5.443 7.669 1.00 0.00 C ATOM 405 OG SER A 30 -16.253 6.746 7.630 1.00 0.00 O ATOM 0 H SER A 30 -12.822 5.303 7.711 1.00 0.00 H new ATOM 0 HA SER A 30 -14.969 5.882 9.642 1.00 0.00 H new ATOM 0 HB2 SER A 30 -15.255 5.204 6.702 1.00 0.00 H new ATOM 0 HB3 SER A 30 -16.488 4.713 7.847 1.00 0.00 H new ATOM 0 HG SER A 30 -16.928 6.793 6.921 1.00 0.00 H new ATOM 411 N PRO A 31 -15.368 3.353 9.984 1.00 0.00 N ATOM 412 CA PRO A 31 -15.326 1.964 10.451 1.00 0.00 C ATOM 413 C PRO A 31 -15.632 0.968 9.338 1.00 0.00 C ATOM 414 O PRO A 31 -15.710 -0.238 9.572 1.00 0.00 O ATOM 415 CB PRO A 31 -16.416 1.917 11.525 1.00 0.00 C ATOM 416 CG PRO A 31 -17.360 3.008 11.153 1.00 0.00 C ATOM 417 CD PRO A 31 -16.521 4.089 10.530 1.00 0.00 C ATOM 0 HA PRO A 31 -14.337 1.687 10.816 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -16.916 0.949 11.540 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -15.999 2.076 12.520 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -18.115 2.649 10.454 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -17.889 3.382 12.030 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -17.065 4.620 9.749 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -16.212 4.832 11.265 1.00 0.00 H new ATOM 425 N THR A 32 -15.805 1.481 8.123 1.00 0.00 N ATOM 426 CA THR A 32 -16.104 0.637 6.973 1.00 0.00 C ATOM 427 C THR A 32 -15.207 0.983 5.790 1.00 0.00 C ATOM 428 O THR A 32 -15.267 0.337 4.743 1.00 0.00 O ATOM 429 CB THR A 32 -17.576 0.774 6.543 1.00 0.00 C ATOM 430 OG1 THR A 32 -17.950 2.155 6.507 1.00 0.00 O ATOM 431 CG2 THR A 32 -18.491 0.021 7.498 1.00 0.00 C ATOM 0 H THR A 32 -15.743 2.477 7.911 1.00 0.00 H new ATOM 0 HA THR A 32 -15.917 -0.392 7.279 1.00 0.00 H new ATOM 0 HB THR A 32 -17.682 0.343 5.547 1.00 0.00 H new ATOM 0 HG1 THR A 32 -18.887 2.233 6.231 1.00 0.00 H new ATOM 0 HG21 THR A 32 -19.526 0.132 7.174 1.00 0.00 H new ATOM 0 HG22 THR A 32 -18.223 -1.036 7.501 1.00 0.00 H new ATOM 0 HG23 THR A 32 -18.380 0.426 8.504 1.00 0.00 H new ATOM 439 N SER A 33 -14.374 2.004 5.963 1.00 0.00 N ATOM 440 CA SER A 33 -13.466 2.438 4.907 1.00 0.00 C ATOM 441 C SER A 33 -12.093 2.780 5.479 1.00 0.00 C ATOM 442 O SER A 33 -11.884 2.731 6.691 1.00 0.00 O ATOM 443 CB SER A 33 -14.043 3.651 4.175 1.00 0.00 C ATOM 444 OG SER A 33 -13.606 4.861 4.769 1.00 0.00 O ATOM 0 H SER A 33 -14.309 2.546 6.824 1.00 0.00 H new ATOM 0 HA SER A 33 -13.352 1.617 4.199 1.00 0.00 H new ATOM 0 HB2 SER A 33 -13.740 3.626 3.128 1.00 0.00 H new ATOM 0 HB3 SER A 33 -15.132 3.606 4.193 1.00 0.00 H new ATOM 0 HG SER A 33 -13.987 5.621 4.282 1.00 0.00 H new ATOM 450 N ILE A 34 -11.162 3.127 4.596 1.00 0.00 N ATOM 451 CA ILE A 34 -9.810 3.478 5.012 1.00 0.00 C ATOM 452 C ILE A 34 -9.128 4.362 3.973 1.00 0.00 C ATOM 453 O ILE A 34 -9.107 4.040 2.784 1.00 0.00 O ATOM 454 CB ILE A 34 -8.949 2.223 5.246 1.00 0.00 C ATOM 455 CG1 ILE A 34 -9.521 1.393 6.397 1.00 0.00 C ATOM 456 CG2 ILE A 34 -7.508 2.616 5.534 1.00 0.00 C ATOM 457 CD1 ILE A 34 -8.720 0.146 6.699 1.00 0.00 C ATOM 0 H ILE A 34 -11.319 3.172 3.589 1.00 0.00 H new ATOM 0 HA ILE A 34 -9.901 4.026 5.950 1.00 0.00 H new ATOM 0 HB ILE A 34 -8.965 1.615 4.342 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -9.566 2.012 7.293 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -10.545 1.108 6.155 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -6.912 1.718 5.697 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -7.105 3.170 4.686 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -7.473 3.242 6.426 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -9.183 -0.393 7.525 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -8.696 -0.494 5.817 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -7.702 0.425 6.973 1.00 0.00 H new ATOM 469 N THR A 35 -8.569 5.478 4.429 1.00 0.00 N ATOM 470 CA THR A 35 -7.885 6.409 3.540 1.00 0.00 C ATOM 471 C THR A 35 -6.371 6.274 3.662 1.00 0.00 C ATOM 472 O THR A 35 -5.839 6.110 4.760 1.00 0.00 O ATOM 473 CB THR A 35 -8.284 7.867 3.838 1.00 0.00 C ATOM 474 OG1 THR A 35 -9.673 8.063 3.549 1.00 0.00 O ATOM 475 CG2 THR A 35 -7.448 8.836 3.015 1.00 0.00 C ATOM 0 H THR A 35 -8.576 5.759 5.409 1.00 0.00 H new ATOM 0 HA THR A 35 -8.189 6.157 2.524 1.00 0.00 H new ATOM 0 HB THR A 35 -8.102 8.062 4.895 1.00 0.00 H new ATOM 0 HG1 THR A 35 -9.920 8.992 3.743 1.00 0.00 H new ATOM 0 HG21 THR A 35 -7.748 9.859 3.242 1.00 0.00 H new ATOM 0 HG22 THR A 35 -6.394 8.704 3.258 1.00 0.00 H new ATOM 0 HG23 THR A 35 -7.603 8.640 1.954 1.00 0.00 H new ATOM 483 N VAL A 36 -5.682 6.345 2.528 1.00 0.00 N ATOM 484 CA VAL A 36 -4.228 6.233 2.508 1.00 0.00 C ATOM 485 C VAL A 36 -3.604 7.329 1.652 1.00 0.00 C ATOM 486 O VAL A 36 -4.030 7.568 0.521 1.00 0.00 O ATOM 487 CB VAL A 36 -3.779 4.860 1.973 1.00 0.00 C ATOM 488 CG1 VAL A 36 -2.269 4.712 2.083 1.00 0.00 C ATOM 489 CG2 VAL A 36 -4.488 3.740 2.718 1.00 0.00 C ATOM 0 H VAL A 36 -6.107 6.480 1.611 1.00 0.00 H new ATOM 0 HA VAL A 36 -3.887 6.343 3.538 1.00 0.00 H new ATOM 0 HB VAL A 36 -4.051 4.793 0.920 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -1.970 3.736 1.700 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -1.783 5.495 1.500 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -1.970 4.799 3.128 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -4.159 2.777 2.327 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -4.249 3.801 3.780 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -5.565 3.837 2.582 1.00 0.00 H new ATOM 499 N THR A 37 -2.590 7.993 2.198 1.00 0.00 N ATOM 500 CA THR A 37 -1.907 9.065 1.485 1.00 0.00 C ATOM 501 C THR A 37 -0.411 8.789 1.379 1.00 0.00 C ATOM 502 O THR A 37 0.244 8.483 2.375 1.00 0.00 O ATOM 503 CB THR A 37 -2.119 10.425 2.177 1.00 0.00 C ATOM 504 OG1 THR A 37 -1.657 10.362 3.531 1.00 0.00 O ATOM 505 CG2 THR A 37 -3.587 10.821 2.155 1.00 0.00 C ATOM 0 H THR A 37 -2.224 7.807 3.132 1.00 0.00 H new ATOM 0 HA THR A 37 -2.338 9.104 0.485 1.00 0.00 H new ATOM 0 HB THR A 37 -1.548 11.178 1.633 1.00 0.00 H new ATOM 0 HG1 THR A 37 -1.793 11.231 3.964 1.00 0.00 H new ATOM 0 HG21 THR A 37 -3.711 11.784 2.649 1.00 0.00 H new ATOM 0 HG22 THR A 37 -3.928 10.896 1.122 1.00 0.00 H new ATOM 0 HG23 THR A 37 -4.175 10.067 2.677 1.00 0.00 H new ATOM 513 N TRP A 38 0.121 8.899 0.168 1.00 0.00 N ATOM 514 CA TRP A 38 1.541 8.662 -0.067 1.00 0.00 C ATOM 515 C TRP A 38 2.140 9.758 -0.941 1.00 0.00 C ATOM 516 O TRP A 38 1.415 10.501 -1.603 1.00 0.00 O ATOM 517 CB TRP A 38 1.749 7.297 -0.726 1.00 0.00 C ATOM 518 CG TRP A 38 1.030 7.153 -2.033 1.00 0.00 C ATOM 519 CD1 TRP A 38 1.501 7.493 -3.269 1.00 0.00 C ATOM 520 CD2 TRP A 38 -0.289 6.633 -2.233 1.00 0.00 C ATOM 521 NE1 TRP A 38 0.554 7.216 -4.225 1.00 0.00 N ATOM 522 CE2 TRP A 38 -0.553 6.687 -3.616 1.00 0.00 C ATOM 523 CE3 TRP A 38 -1.272 6.126 -1.379 1.00 0.00 C ATOM 524 CZ2 TRP A 38 -1.758 6.253 -4.160 1.00 0.00 C ATOM 525 CZ3 TRP A 38 -2.468 5.696 -1.921 1.00 0.00 C ATOM 526 CH2 TRP A 38 -2.703 5.761 -3.301 1.00 0.00 C ATOM 0 H TRP A 38 -0.409 9.151 -0.667 1.00 0.00 H new ATOM 0 HA TRP A 38 2.049 8.674 0.897 1.00 0.00 H new ATOM 0 HB2 TRP A 38 2.815 7.138 -0.887 1.00 0.00 H new ATOM 0 HB3 TRP A 38 1.409 6.517 -0.045 1.00 0.00 H new ATOM 0 HD1 TRP A 38 2.475 7.917 -3.466 1.00 0.00 H new ATOM 0 HE1 TRP A 38 0.658 7.378 -5.227 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -1.100 6.071 -0.314 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -1.941 6.303 -5.223 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -3.235 5.303 -1.270 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -3.648 5.416 -3.694 1.00 0.00 H new ATOM 537 N GLU A 39 3.466 9.854 -0.938 1.00 0.00 N ATOM 538 CA GLU A 39 4.159 10.862 -1.731 1.00 0.00 C ATOM 539 C GLU A 39 4.996 10.210 -2.828 1.00 0.00 C ATOM 540 O GLU A 39 5.246 9.004 -2.801 1.00 0.00 O ATOM 541 CB GLU A 39 5.054 11.721 -0.835 1.00 0.00 C ATOM 542 CG GLU A 39 4.300 12.801 -0.079 1.00 0.00 C ATOM 543 CD GLU A 39 3.990 14.010 -0.941 1.00 0.00 C ATOM 544 OE1 GLU A 39 4.869 14.419 -1.728 1.00 0.00 O ATOM 545 OE2 GLU A 39 2.868 14.546 -0.829 1.00 0.00 O ATOM 0 H GLU A 39 4.081 9.247 -0.396 1.00 0.00 H new ATOM 0 HA GLU A 39 3.408 11.498 -2.200 1.00 0.00 H new ATOM 0 HB2 GLU A 39 5.563 11.076 -0.119 1.00 0.00 H new ATOM 0 HB3 GLU A 39 5.825 12.189 -1.447 1.00 0.00 H new ATOM 0 HG2 GLU A 39 3.369 12.386 0.307 1.00 0.00 H new ATOM 0 HG3 GLU A 39 4.890 13.115 0.782 1.00 0.00 H new ATOM 552 N THR A 40 5.426 11.015 -3.795 1.00 0.00 N ATOM 553 CA THR A 40 6.233 10.518 -4.902 1.00 0.00 C ATOM 554 C THR A 40 7.712 10.493 -4.537 1.00 0.00 C ATOM 555 O THR A 40 8.240 11.419 -3.920 1.00 0.00 O ATOM 556 CB THR A 40 6.041 11.376 -6.166 1.00 0.00 C ATOM 557 OG1 THR A 40 4.678 11.314 -6.599 1.00 0.00 O ATOM 558 CG2 THR A 40 6.956 10.903 -7.286 1.00 0.00 C ATOM 0 H THR A 40 5.228 12.015 -3.833 1.00 0.00 H new ATOM 0 HA THR A 40 5.896 9.502 -5.107 1.00 0.00 H new ATOM 0 HB THR A 40 6.297 12.407 -5.920 1.00 0.00 H new ATOM 0 HG1 THR A 40 4.558 10.542 -7.191 1.00 0.00 H new ATOM 0 HG21 THR A 40 6.802 11.524 -8.168 1.00 0.00 H new ATOM 0 HG22 THR A 40 7.995 10.980 -6.964 1.00 0.00 H new ATOM 0 HG23 THR A 40 6.727 9.865 -7.529 1.00 0.00 H new ATOM 566 N PRO A 41 8.401 9.411 -4.927 1.00 0.00 N ATOM 567 CA PRO A 41 9.831 9.241 -4.652 1.00 0.00 C ATOM 568 C PRO A 41 10.695 10.202 -5.461 1.00 0.00 C ATOM 569 O PRO A 41 10.613 10.244 -6.689 1.00 0.00 O ATOM 570 CB PRO A 41 10.104 7.794 -5.072 1.00 0.00 C ATOM 571 CG PRO A 41 9.053 7.489 -6.084 1.00 0.00 C ATOM 572 CD PRO A 41 7.837 8.269 -5.666 1.00 0.00 C ATOM 0 HA PRO A 41 10.073 9.450 -3.610 1.00 0.00 H new ATOM 0 HB2 PRO A 41 11.103 7.686 -5.494 1.00 0.00 H new ATOM 0 HB3 PRO A 41 10.042 7.116 -4.221 1.00 0.00 H new ATOM 0 HG2 PRO A 41 9.378 7.779 -7.083 1.00 0.00 H new ATOM 0 HG3 PRO A 41 8.840 6.421 -6.115 1.00 0.00 H new ATOM 0 HD2 PRO A 41 7.254 8.596 -6.527 1.00 0.00 H new ATOM 0 HD3 PRO A 41 7.173 7.673 -5.039 1.00 0.00 H new ATOM 580 N VAL A 42 11.524 10.974 -4.765 1.00 0.00 N ATOM 581 CA VAL A 42 12.405 11.934 -5.420 1.00 0.00 C ATOM 582 C VAL A 42 13.493 11.226 -6.219 1.00 0.00 C ATOM 583 O VAL A 42 13.985 11.751 -7.217 1.00 0.00 O ATOM 584 CB VAL A 42 13.066 12.877 -4.397 1.00 0.00 C ATOM 585 CG1 VAL A 42 12.015 13.722 -3.692 1.00 0.00 C ATOM 586 CG2 VAL A 42 13.885 12.082 -3.391 1.00 0.00 C ATOM 0 H VAL A 42 11.604 10.953 -3.748 1.00 0.00 H new ATOM 0 HA VAL A 42 11.785 12.521 -6.098 1.00 0.00 H new ATOM 0 HB VAL A 42 13.739 13.548 -4.930 1.00 0.00 H new ATOM 0 HG11 VAL A 42 12.501 14.382 -2.973 1.00 0.00 H new ATOM 0 HG12 VAL A 42 11.476 14.320 -4.427 1.00 0.00 H new ATOM 0 HG13 VAL A 42 11.314 13.070 -3.170 1.00 0.00 H new ATOM 0 HG21 VAL A 42 14.345 12.764 -2.676 1.00 0.00 H new ATOM 0 HG22 VAL A 42 13.235 11.386 -2.862 1.00 0.00 H new ATOM 0 HG23 VAL A 42 14.663 11.526 -3.914 1.00 0.00 H new ATOM 596 N SER A 43 13.864 10.030 -5.772 1.00 0.00 N ATOM 597 CA SER A 43 14.897 9.250 -6.444 1.00 0.00 C ATOM 598 C SER A 43 14.280 8.285 -7.451 1.00 0.00 C ATOM 599 O SER A 43 13.072 8.054 -7.447 1.00 0.00 O ATOM 600 CB SER A 43 15.728 8.475 -5.419 1.00 0.00 C ATOM 601 OG SER A 43 16.958 8.048 -5.978 1.00 0.00 O ATOM 0 H SER A 43 13.465 9.580 -4.948 1.00 0.00 H new ATOM 0 HA SER A 43 15.548 9.940 -6.981 1.00 0.00 H new ATOM 0 HB2 SER A 43 15.919 9.105 -4.550 1.00 0.00 H new ATOM 0 HB3 SER A 43 15.165 7.610 -5.068 1.00 0.00 H new ATOM 0 HG SER A 43 17.471 7.557 -5.303 1.00 0.00 H new ATOM 607 N GLY A 44 15.121 7.722 -8.314 1.00 0.00 N ATOM 608 CA GLY A 44 14.642 6.788 -9.316 1.00 0.00 C ATOM 609 C GLY A 44 15.083 7.163 -10.717 1.00 0.00 C ATOM 610 O GLY A 44 15.900 8.065 -10.897 1.00 0.00 O ATOM 0 H GLY A 44 16.126 7.896 -8.337 1.00 0.00 H new ATOM 0 HA2 GLY A 44 15.006 5.788 -9.079 1.00 0.00 H new ATOM 0 HA3 GLY A 44 13.553 6.748 -9.280 1.00 0.00 H new ATOM 614 N ASN A 45 14.543 6.467 -11.712 1.00 0.00 N ATOM 615 CA ASN A 45 14.888 6.730 -13.104 1.00 0.00 C ATOM 616 C ASN A 45 13.632 6.929 -13.947 1.00 0.00 C ATOM 617 O ASN A 45 12.916 5.975 -14.248 1.00 0.00 O ATOM 618 CB ASN A 45 15.720 5.578 -13.671 1.00 0.00 C ATOM 619 CG ASN A 45 17.159 5.613 -13.193 1.00 0.00 C ATOM 620 OD1 ASN A 45 17.500 6.356 -12.272 1.00 0.00 O ATOM 621 ND2 ASN A 45 18.010 4.808 -13.817 1.00 0.00 N ATOM 0 H ASN A 45 13.865 5.717 -11.580 1.00 0.00 H new ATOM 0 HA ASN A 45 15.477 7.646 -13.140 1.00 0.00 H new ATOM 0 HB2 ASN A 45 15.267 4.630 -13.382 1.00 0.00 H new ATOM 0 HB3 ASN A 45 15.701 5.621 -14.760 1.00 0.00 H new ATOM 0 HD21 ASN A 45 18.991 4.788 -13.538 1.00 0.00 H new ATOM 0 HD22 ASN A 45 17.683 4.209 -14.575 1.00 0.00 H new ATOM 628 N GLY A 46 13.372 8.176 -14.327 1.00 0.00 N ATOM 629 CA GLY A 46 12.203 8.478 -15.132 1.00 0.00 C ATOM 630 C GLY A 46 11.000 8.851 -14.290 1.00 0.00 C ATOM 631 O GLY A 46 11.005 8.668 -13.074 1.00 0.00 O ATOM 0 H GLY A 46 13.950 8.983 -14.092 1.00 0.00 H new ATOM 0 HA2 GLY A 46 12.435 9.298 -15.811 1.00 0.00 H new ATOM 0 HA3 GLY A 46 11.957 7.613 -15.749 1.00 0.00 H new ATOM 635 N GLU A 47 9.966 9.378 -14.939 1.00 0.00 N ATOM 636 CA GLU A 47 8.751 9.780 -14.240 1.00 0.00 C ATOM 637 C GLU A 47 7.774 8.612 -14.131 1.00 0.00 C ATOM 638 O GLU A 47 7.823 7.673 -14.926 1.00 0.00 O ATOM 639 CB GLU A 47 8.083 10.951 -14.964 1.00 0.00 C ATOM 640 CG GLU A 47 7.544 10.591 -16.338 1.00 0.00 C ATOM 641 CD GLU A 47 7.116 11.808 -17.135 1.00 0.00 C ATOM 642 OE1 GLU A 47 6.253 12.565 -16.643 1.00 0.00 O ATOM 643 OE2 GLU A 47 7.644 12.003 -18.250 1.00 0.00 O ATOM 0 H GLU A 47 9.946 9.536 -15.946 1.00 0.00 H new ATOM 0 HA GLU A 47 9.029 10.095 -13.234 1.00 0.00 H new ATOM 0 HB2 GLU A 47 7.265 11.328 -14.350 1.00 0.00 H new ATOM 0 HB3 GLU A 47 8.804 11.762 -15.067 1.00 0.00 H new ATOM 0 HG2 GLU A 47 8.309 10.049 -16.893 1.00 0.00 H new ATOM 0 HG3 GLU A 47 6.694 9.918 -16.226 1.00 0.00 H new ATOM 650 N ILE A 48 6.889 8.679 -13.142 1.00 0.00 N ATOM 651 CA ILE A 48 5.901 7.629 -12.930 1.00 0.00 C ATOM 652 C ILE A 48 4.682 7.832 -13.823 1.00 0.00 C ATOM 653 O ILE A 48 4.398 8.948 -14.257 1.00 0.00 O ATOM 654 CB ILE A 48 5.443 7.576 -11.460 1.00 0.00 C ATOM 655 CG1 ILE A 48 6.655 7.523 -10.527 1.00 0.00 C ATOM 656 CG2 ILE A 48 4.538 6.375 -11.230 1.00 0.00 C ATOM 657 CD1 ILE A 48 7.458 6.247 -10.651 1.00 0.00 C ATOM 0 H ILE A 48 6.836 9.449 -12.475 1.00 0.00 H new ATOM 0 HA ILE A 48 6.383 6.686 -13.187 1.00 0.00 H new ATOM 0 HB ILE A 48 4.877 8.481 -11.239 1.00 0.00 H new ATOM 0 HG12 ILE A 48 7.304 8.373 -10.739 1.00 0.00 H new ATOM 0 HG13 ILE A 48 6.315 7.630 -9.497 1.00 0.00 H new ATOM 0 HG21 ILE A 48 4.223 6.351 -10.187 1.00 0.00 H new ATOM 0 HG22 ILE A 48 3.661 6.452 -11.872 1.00 0.00 H new ATOM 0 HG23 ILE A 48 5.081 5.460 -11.466 1.00 0.00 H new ATOM 0 HD11 ILE A 48 8.301 6.279 -9.961 1.00 0.00 H new ATOM 0 HD12 ILE A 48 6.824 5.393 -10.410 1.00 0.00 H new ATOM 0 HD13 ILE A 48 7.828 6.148 -11.671 1.00 0.00 H new ATOM 669 N GLN A 49 3.965 6.746 -14.092 1.00 0.00 N ATOM 670 CA GLN A 49 2.775 6.805 -14.933 1.00 0.00 C ATOM 671 C GLN A 49 1.537 6.373 -14.155 1.00 0.00 C ATOM 672 O GLN A 49 0.459 6.944 -14.317 1.00 0.00 O ATOM 673 CB GLN A 49 2.952 5.918 -16.166 1.00 0.00 C ATOM 674 CG GLN A 49 3.994 6.437 -17.144 1.00 0.00 C ATOM 675 CD GLN A 49 5.276 6.865 -16.458 1.00 0.00 C ATOM 676 OE1 GLN A 49 5.531 8.057 -16.282 1.00 0.00 O ATOM 677 NE2 GLN A 49 6.092 5.893 -16.066 1.00 0.00 N ATOM 0 H GLN A 49 4.187 5.815 -13.740 1.00 0.00 H new ATOM 0 HA GLN A 49 2.638 7.838 -15.254 1.00 0.00 H new ATOM 0 HB2 GLN A 49 3.235 4.916 -15.845 1.00 0.00 H new ATOM 0 HB3 GLN A 49 1.995 5.830 -16.680 1.00 0.00 H new ATOM 0 HG2 GLN A 49 4.219 5.660 -17.875 1.00 0.00 H new ATOM 0 HG3 GLN A 49 3.581 7.282 -17.694 1.00 0.00 H new ATOM 0 HE21 GLN A 49 5.841 4.918 -16.232 1.00 0.00 H new ATOM 0 HE22 GLN A 49 6.970 6.121 -15.599 1.00 0.00 H new ATOM 686 N ASN A 50 1.698 5.361 -13.309 1.00 0.00 N ATOM 687 CA ASN A 50 0.592 4.851 -12.506 1.00 0.00 C ATOM 688 C ASN A 50 1.074 4.433 -11.120 1.00 0.00 C ATOM 689 O ASN A 50 2.264 4.199 -10.910 1.00 0.00 O ATOM 690 CB ASN A 50 -0.071 3.665 -13.208 1.00 0.00 C ATOM 691 CG ASN A 50 -1.156 4.098 -14.175 1.00 0.00 C ATOM 692 OD1 ASN A 50 -0.912 4.889 -15.086 1.00 0.00 O ATOM 693 ND2 ASN A 50 -2.363 3.579 -13.980 1.00 0.00 N ATOM 0 H ASN A 50 2.584 4.877 -13.161 1.00 0.00 H new ATOM 0 HA ASN A 50 -0.140 5.651 -12.391 1.00 0.00 H new ATOM 0 HB2 ASN A 50 0.686 3.096 -13.747 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -0.500 2.997 -12.461 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -3.133 3.833 -14.599 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -2.520 2.927 -13.212 1.00 0.00 H new ATOM 700 N TYR A 51 0.141 4.339 -10.179 1.00 0.00 N ATOM 701 CA TYR A 51 0.470 3.950 -8.813 1.00 0.00 C ATOM 702 C TYR A 51 -0.406 2.789 -8.352 1.00 0.00 C ATOM 703 O TYR A 51 -1.627 2.914 -8.261 1.00 0.00 O ATOM 704 CB TYR A 51 0.299 5.140 -7.867 1.00 0.00 C ATOM 705 CG TYR A 51 1.385 6.183 -8.003 1.00 0.00 C ATOM 706 CD1 TYR A 51 2.652 5.967 -7.475 1.00 0.00 C ATOM 707 CD2 TYR A 51 1.144 7.384 -8.659 1.00 0.00 C ATOM 708 CE1 TYR A 51 3.648 6.918 -7.596 1.00 0.00 C ATOM 709 CE2 TYR A 51 2.134 8.339 -8.786 1.00 0.00 C ATOM 710 CZ TYR A 51 3.384 8.101 -8.253 1.00 0.00 C ATOM 711 OH TYR A 51 4.372 9.051 -8.377 1.00 0.00 O ATOM 0 H TYR A 51 -0.849 4.527 -10.337 1.00 0.00 H new ATOM 0 HA TYR A 51 1.511 3.626 -8.794 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -0.667 5.607 -8.056 1.00 0.00 H new ATOM 0 HB3 TYR A 51 0.282 4.777 -6.839 1.00 0.00 H new ATOM 0 HD1 TYR A 51 2.862 5.040 -6.961 1.00 0.00 H new ATOM 0 HD2 TYR A 51 0.166 7.574 -9.077 1.00 0.00 H new ATOM 0 HE1 TYR A 51 4.627 6.735 -7.178 1.00 0.00 H new ATOM 0 HE2 TYR A 51 1.931 9.267 -9.300 1.00 0.00 H new ATOM 0 HH TYR A 51 4.022 9.824 -8.867 1.00 0.00 H new ATOM 721 N LYS A 52 0.228 1.658 -8.060 1.00 0.00 N ATOM 722 CA LYS A 52 -0.490 0.473 -7.606 1.00 0.00 C ATOM 723 C LYS A 52 -0.607 0.458 -6.085 1.00 0.00 C ATOM 724 O LYS A 52 0.376 0.669 -5.374 1.00 0.00 O ATOM 725 CB LYS A 52 0.221 -0.794 -8.085 1.00 0.00 C ATOM 726 CG LYS A 52 -0.698 -1.996 -8.212 1.00 0.00 C ATOM 727 CD LYS A 52 -0.090 -3.073 -9.094 1.00 0.00 C ATOM 728 CE LYS A 52 -0.275 -2.754 -10.570 1.00 0.00 C ATOM 729 NZ LYS A 52 -1.709 -2.787 -10.969 1.00 0.00 N ATOM 0 H LYS A 52 1.238 1.537 -8.130 1.00 0.00 H new ATOM 0 HA LYS A 52 -1.494 0.502 -8.031 1.00 0.00 H new ATOM 0 HB2 LYS A 52 0.684 -0.597 -9.052 1.00 0.00 H new ATOM 0 HB3 LYS A 52 1.025 -1.034 -7.390 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -0.900 -2.406 -7.223 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -1.655 -1.681 -8.628 1.00 0.00 H new ATOM 0 HD2 LYS A 52 0.973 -3.170 -8.872 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -0.552 -4.034 -8.868 1.00 0.00 H new ATOM 0 HE2 LYS A 52 0.139 -1.768 -10.783 1.00 0.00 H new ATOM 0 HE3 LYS A 52 0.285 -3.471 -11.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -1.780 -2.938 -11.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -2.190 -3.563 -10.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -2.159 -1.883 -10.720 1.00 0.00 H new ATOM 743 N LEU A 53 -1.815 0.206 -5.592 1.00 0.00 N ATOM 744 CA LEU A 53 -2.060 0.162 -4.154 1.00 0.00 C ATOM 745 C LEU A 53 -2.610 -1.199 -3.738 1.00 0.00 C ATOM 746 O LEU A 53 -3.616 -1.664 -4.274 1.00 0.00 O ATOM 747 CB LEU A 53 -3.039 1.266 -3.750 1.00 0.00 C ATOM 748 CG LEU A 53 -3.608 1.172 -2.334 1.00 0.00 C ATOM 749 CD1 LEU A 53 -2.502 1.330 -1.303 1.00 0.00 C ATOM 750 CD2 LEU A 53 -4.690 2.222 -2.123 1.00 0.00 C ATOM 0 H LEU A 53 -2.639 0.029 -6.166 1.00 0.00 H new ATOM 0 HA LEU A 53 -1.111 0.322 -3.643 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -2.535 2.227 -3.855 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -3.870 1.263 -4.455 1.00 0.00 H new ATOM 0 HG LEU A 53 -4.056 0.186 -2.208 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -2.926 1.260 -0.301 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -1.762 0.541 -1.440 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -2.024 2.302 -1.428 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -5.084 2.140 -1.110 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -4.266 3.216 -2.269 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -5.496 2.063 -2.839 1.00 0.00 H new ATOM 762 N TYR A 54 -1.944 -1.831 -2.777 1.00 0.00 N ATOM 763 CA TYR A 54 -2.365 -3.138 -2.289 1.00 0.00 C ATOM 764 C TYR A 54 -3.070 -3.015 -0.941 1.00 0.00 C ATOM 765 O TYR A 54 -2.753 -2.135 -0.140 1.00 0.00 O ATOM 766 CB TYR A 54 -1.160 -4.071 -2.163 1.00 0.00 C ATOM 767 CG TYR A 54 -0.397 -4.253 -3.456 1.00 0.00 C ATOM 768 CD1 TYR A 54 0.206 -3.173 -4.087 1.00 0.00 C ATOM 769 CD2 TYR A 54 -0.280 -5.506 -4.046 1.00 0.00 C ATOM 770 CE1 TYR A 54 0.904 -3.334 -5.269 1.00 0.00 C ATOM 771 CE2 TYR A 54 0.417 -5.677 -5.226 1.00 0.00 C ATOM 772 CZ TYR A 54 1.006 -4.588 -5.834 1.00 0.00 C ATOM 773 OH TYR A 54 1.701 -4.753 -7.011 1.00 0.00 O ATOM 0 H TYR A 54 -1.111 -1.459 -2.321 1.00 0.00 H new ATOM 0 HA TYR A 54 -3.067 -3.558 -3.009 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -0.484 -3.677 -1.404 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -1.500 -5.045 -1.812 1.00 0.00 H new ATOM 0 HD1 TYR A 54 0.128 -2.190 -3.646 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -0.742 -6.360 -3.574 1.00 0.00 H new ATOM 0 HE1 TYR A 54 1.367 -2.483 -5.747 1.00 0.00 H new ATOM 0 HE2 TYR A 54 0.500 -6.658 -5.670 1.00 0.00 H new ATOM 0 HH TYR A 54 1.679 -5.697 -7.274 1.00 0.00 H new ATOM 783 N TYR A 55 -4.027 -3.903 -0.698 1.00 0.00 N ATOM 784 CA TYR A 55 -4.778 -3.894 0.551 1.00 0.00 C ATOM 785 C TYR A 55 -5.265 -5.296 0.905 1.00 0.00 C ATOM 786 O TYR A 55 -5.807 -6.008 0.060 1.00 0.00 O ATOM 787 CB TYR A 55 -5.970 -2.940 0.447 1.00 0.00 C ATOM 788 CG TYR A 55 -7.066 -3.438 -0.467 1.00 0.00 C ATOM 789 CD1 TYR A 55 -6.929 -3.373 -1.848 1.00 0.00 C ATOM 790 CD2 TYR A 55 -8.239 -3.973 0.050 1.00 0.00 C ATOM 791 CE1 TYR A 55 -7.929 -3.826 -2.687 1.00 0.00 C ATOM 792 CE2 TYR A 55 -9.243 -4.430 -0.781 1.00 0.00 C ATOM 793 CZ TYR A 55 -9.084 -4.354 -2.149 1.00 0.00 C ATOM 794 OH TYR A 55 -10.082 -4.807 -2.981 1.00 0.00 O ATOM 0 H TYR A 55 -4.301 -4.638 -1.350 1.00 0.00 H new ATOM 0 HA TYR A 55 -4.112 -3.550 1.342 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -6.384 -2.779 1.442 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -5.620 -1.972 0.087 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -6.025 -2.961 -2.273 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -8.368 -4.033 1.121 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -7.807 -3.767 -3.758 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -10.148 -4.845 -0.362 1.00 0.00 H new ATOM 0 HH TYR A 55 -9.684 -5.190 -3.790 1.00 0.00 H new ATOM 804 N MET A 56 -5.067 -5.686 2.160 1.00 0.00 N ATOM 805 CA MET A 56 -5.487 -7.002 2.627 1.00 0.00 C ATOM 806 C MET A 56 -5.673 -7.008 4.141 1.00 0.00 C ATOM 807 O MET A 56 -5.176 -6.125 4.839 1.00 0.00 O ATOM 808 CB MET A 56 -4.460 -8.061 2.223 1.00 0.00 C ATOM 809 CG MET A 56 -3.389 -8.301 3.274 1.00 0.00 C ATOM 810 SD MET A 56 -1.941 -9.147 2.611 1.00 0.00 S ATOM 811 CE MET A 56 -1.508 -10.208 3.987 1.00 0.00 C ATOM 0 H MET A 56 -4.618 -5.109 2.872 1.00 0.00 H new ATOM 0 HA MET A 56 -6.444 -7.238 2.161 1.00 0.00 H new ATOM 0 HB2 MET A 56 -4.977 -8.999 2.023 1.00 0.00 H new ATOM 0 HB3 MET A 56 -3.982 -7.755 1.292 1.00 0.00 H new ATOM 0 HG2 MET A 56 -3.083 -7.345 3.700 1.00 0.00 H new ATOM 0 HG3 MET A 56 -3.810 -8.892 4.087 1.00 0.00 H new ATOM 0 HE1 MET A 56 -0.771 -10.942 3.662 1.00 0.00 H new ATOM 0 HE2 MET A 56 -1.089 -9.606 4.793 1.00 0.00 H new ATOM 0 HE3 MET A 56 -2.400 -10.723 4.344 1.00 0.00 H new ATOM 821 N GLU A 57 -6.390 -8.009 4.641 1.00 0.00 N ATOM 822 CA GLU A 57 -6.641 -8.128 6.072 1.00 0.00 C ATOM 823 C GLU A 57 -5.458 -8.782 6.780 1.00 0.00 C ATOM 824 O GLU A 57 -4.894 -9.763 6.294 1.00 0.00 O ATOM 825 CB GLU A 57 -7.913 -8.941 6.324 1.00 0.00 C ATOM 826 CG GLU A 57 -9.179 -8.100 6.345 1.00 0.00 C ATOM 827 CD GLU A 57 -10.413 -8.912 6.687 1.00 0.00 C ATOM 828 OE1 GLU A 57 -10.266 -9.974 7.326 1.00 0.00 O ATOM 829 OE2 GLU A 57 -11.526 -8.483 6.315 1.00 0.00 O ATOM 0 H GLU A 57 -6.807 -8.749 4.076 1.00 0.00 H new ATOM 0 HA GLU A 57 -6.774 -7.124 6.476 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -8.006 -9.703 5.550 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -7.818 -9.463 7.276 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -9.065 -7.296 7.072 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -9.316 -7.631 5.370 1.00 0.00 H new ATOM 836 N LYS A 58 -5.087 -8.232 7.931 1.00 0.00 N ATOM 837 CA LYS A 58 -3.972 -8.760 8.707 1.00 0.00 C ATOM 838 C LYS A 58 -4.227 -10.210 9.109 1.00 0.00 C ATOM 839 O LYS A 58 -4.979 -10.482 10.044 1.00 0.00 O ATOM 840 CB LYS A 58 -3.743 -7.907 9.956 1.00 0.00 C ATOM 841 CG LYS A 58 -2.305 -7.914 10.443 1.00 0.00 C ATOM 842 CD LYS A 58 -1.461 -6.887 9.706 1.00 0.00 C ATOM 843 CE LYS A 58 0.013 -7.262 9.721 1.00 0.00 C ATOM 844 NZ LYS A 58 0.287 -8.467 8.890 1.00 0.00 N ATOM 0 H LYS A 58 -5.543 -7.420 8.347 1.00 0.00 H new ATOM 0 HA LYS A 58 -3.079 -8.726 8.082 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -4.041 -6.880 9.744 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -4.390 -8.268 10.756 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -2.281 -7.706 11.513 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -1.877 -8.907 10.302 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -1.806 -6.803 8.675 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -1.593 -5.908 10.167 1.00 0.00 H new ATOM 0 HE2 LYS A 58 0.605 -6.424 9.352 1.00 0.00 H new ATOM 0 HE3 LYS A 58 0.330 -7.449 10.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 1.294 -8.489 8.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 0.050 -9.323 9.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -0.292 -8.432 8.027 1.00 0.00 H new ATOM 858 N GLY A 59 -3.594 -11.137 8.396 1.00 0.00 N ATOM 859 CA GLY A 59 -3.765 -12.547 8.695 1.00 0.00 C ATOM 860 C GLY A 59 -4.694 -13.238 7.717 1.00 0.00 C ATOM 861 O GLY A 59 -5.546 -14.034 8.115 1.00 0.00 O ATOM 0 H GLY A 59 -2.966 -10.937 7.617 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -2.793 -13.039 8.678 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -4.160 -12.656 9.705 1.00 0.00 H new ATOM 865 N THR A 60 -4.533 -12.933 6.433 1.00 0.00 N ATOM 866 CA THR A 60 -5.366 -13.528 5.396 1.00 0.00 C ATOM 867 C THR A 60 -4.516 -14.216 4.335 1.00 0.00 C ATOM 868 O THR A 60 -4.901 -15.251 3.791 1.00 0.00 O ATOM 869 CB THR A 60 -6.259 -12.472 4.718 1.00 0.00 C ATOM 870 OG1 THR A 60 -6.687 -11.501 5.679 1.00 0.00 O ATOM 871 CG2 THR A 60 -7.472 -13.123 4.071 1.00 0.00 C ATOM 0 H THR A 60 -3.833 -12.277 6.087 1.00 0.00 H new ATOM 0 HA THR A 60 -5.999 -14.268 5.885 1.00 0.00 H new ATOM 0 HB THR A 60 -5.674 -11.979 3.941 1.00 0.00 H new ATOM 0 HG1 THR A 60 -5.907 -11.022 6.030 1.00 0.00 H new ATOM 0 HG21 THR A 60 -8.087 -12.357 3.599 1.00 0.00 H new ATOM 0 HG22 THR A 60 -7.142 -13.839 3.318 1.00 0.00 H new ATOM 0 HG23 THR A 60 -8.057 -13.640 4.832 1.00 0.00 H new ATOM 879 N ASP A 61 -3.357 -13.635 4.045 1.00 0.00 N ATOM 880 CA ASP A 61 -2.450 -14.193 3.049 1.00 0.00 C ATOM 881 C ASP A 61 -3.009 -14.010 1.641 1.00 0.00 C ATOM 882 O ASP A 61 -2.716 -14.794 0.738 1.00 0.00 O ATOM 883 CB ASP A 61 -2.206 -15.678 3.325 1.00 0.00 C ATOM 884 CG ASP A 61 -0.971 -16.203 2.620 1.00 0.00 C ATOM 885 OD1 ASP A 61 0.130 -15.675 2.879 1.00 0.00 O ATOM 886 OD2 ASP A 61 -1.106 -17.143 1.809 1.00 0.00 O ATOM 0 H ASP A 61 -3.023 -12.778 4.486 1.00 0.00 H new ATOM 0 HA ASP A 61 -1.503 -13.658 3.117 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -2.101 -15.832 4.399 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -3.075 -16.252 3.004 1.00 0.00 H new ATOM 891 N LYS A 62 -3.816 -12.970 1.462 1.00 0.00 N ATOM 892 CA LYS A 62 -4.417 -12.683 0.165 1.00 0.00 C ATOM 893 C LYS A 62 -4.307 -11.198 -0.169 1.00 0.00 C ATOM 894 O LYS A 62 -5.251 -10.436 0.037 1.00 0.00 O ATOM 895 CB LYS A 62 -5.886 -13.111 0.154 1.00 0.00 C ATOM 896 CG LYS A 62 -6.570 -12.905 -1.187 1.00 0.00 C ATOM 897 CD LYS A 62 -5.992 -13.819 -2.254 1.00 0.00 C ATOM 898 CE LYS A 62 -6.497 -13.447 -3.640 1.00 0.00 C ATOM 899 NZ LYS A 62 -5.896 -12.175 -4.126 1.00 0.00 N ATOM 0 H LYS A 62 -4.069 -12.312 2.199 1.00 0.00 H new ATOM 0 HA LYS A 62 -3.874 -13.249 -0.592 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -5.951 -14.164 0.427 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -6.425 -12.550 0.917 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -7.639 -13.094 -1.084 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -6.459 -11.866 -1.497 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -4.904 -13.760 -2.234 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -6.260 -14.852 -2.033 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -6.263 -14.250 -4.339 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -7.582 -13.350 -3.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -6.652 -11.499 -4.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -5.286 -11.774 -3.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -5.330 -12.362 -4.978 1.00 0.00 H new ATOM 913 N GLU A 63 -3.150 -10.796 -0.686 1.00 0.00 N ATOM 914 CA GLU A 63 -2.919 -9.403 -1.048 1.00 0.00 C ATOM 915 C GLU A 63 -3.685 -9.036 -2.316 1.00 0.00 C ATOM 916 O GLU A 63 -3.925 -9.884 -3.175 1.00 0.00 O ATOM 917 CB GLU A 63 -1.424 -9.147 -1.250 1.00 0.00 C ATOM 918 CG GLU A 63 -0.996 -7.732 -0.898 1.00 0.00 C ATOM 919 CD GLU A 63 0.457 -7.651 -0.472 1.00 0.00 C ATOM 920 OE1 GLU A 63 1.286 -8.383 -1.051 1.00 0.00 O ATOM 921 OE2 GLU A 63 0.764 -6.857 0.442 1.00 0.00 O ATOM 0 H GLU A 63 -2.359 -11.415 -0.863 1.00 0.00 H new ATOM 0 HA GLU A 63 -3.281 -8.777 -0.232 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -0.858 -9.851 -0.640 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -1.167 -9.347 -2.290 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -1.155 -7.083 -1.760 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -1.628 -7.355 -0.094 1.00 0.00 H new ATOM 928 N GLN A 64 -4.066 -7.767 -2.423 1.00 0.00 N ATOM 929 CA GLN A 64 -4.806 -7.288 -3.585 1.00 0.00 C ATOM 930 C GLN A 64 -4.072 -6.135 -4.261 1.00 0.00 C ATOM 931 O GLN A 64 -2.994 -5.732 -3.824 1.00 0.00 O ATOM 932 CB GLN A 64 -6.211 -6.843 -3.173 1.00 0.00 C ATOM 933 CG GLN A 64 -7.188 -7.994 -2.998 1.00 0.00 C ATOM 934 CD GLN A 64 -8.634 -7.554 -3.106 1.00 0.00 C ATOM 935 OE1 GLN A 64 -9.178 -7.433 -4.205 1.00 0.00 O ATOM 936 NE2 GLN A 64 -9.266 -7.310 -1.964 1.00 0.00 N ATOM 0 H GLN A 64 -3.875 -7.053 -1.720 1.00 0.00 H new ATOM 0 HA GLN A 64 -4.887 -8.110 -4.297 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -6.147 -6.287 -2.238 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -6.601 -6.158 -3.926 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -6.986 -8.754 -3.752 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -7.025 -8.459 -2.026 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -8.777 -7.423 -1.076 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -10.241 -7.009 -1.975 1.00 0.00 H new ATOM 945 N ASP A 65 -4.662 -5.610 -5.329 1.00 0.00 N ATOM 946 CA ASP A 65 -4.064 -4.502 -6.065 1.00 0.00 C ATOM 947 C ASP A 65 -5.135 -3.683 -6.779 1.00 0.00 C ATOM 948 O ASP A 65 -5.993 -4.232 -7.469 1.00 0.00 O ATOM 949 CB ASP A 65 -3.045 -5.027 -7.079 1.00 0.00 C ATOM 950 CG ASP A 65 -3.704 -5.594 -8.321 1.00 0.00 C ATOM 951 OD1 ASP A 65 -4.613 -6.438 -8.178 1.00 0.00 O ATOM 952 OD2 ASP A 65 -3.311 -5.193 -9.436 1.00 0.00 O ATOM 0 H ASP A 65 -5.553 -5.934 -5.704 1.00 0.00 H new ATOM 0 HA ASP A 65 -3.554 -3.856 -5.350 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -2.372 -4.219 -7.365 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -2.435 -5.799 -6.610 1.00 0.00 H new ATOM 957 N VAL A 66 -5.078 -2.366 -6.607 1.00 0.00 N ATOM 958 CA VAL A 66 -6.043 -1.471 -7.234 1.00 0.00 C ATOM 959 C VAL A 66 -5.340 -0.364 -8.012 1.00 0.00 C ATOM 960 O VAL A 66 -4.411 0.268 -7.510 1.00 0.00 O ATOM 961 CB VAL A 66 -6.979 -0.834 -6.190 1.00 0.00 C ATOM 962 CG1 VAL A 66 -7.736 -1.910 -5.426 1.00 0.00 C ATOM 963 CG2 VAL A 66 -6.191 0.053 -5.238 1.00 0.00 C ATOM 0 H VAL A 66 -4.374 -1.895 -6.039 1.00 0.00 H new ATOM 0 HA VAL A 66 -6.635 -2.075 -7.921 1.00 0.00 H new ATOM 0 HB VAL A 66 -7.706 -0.211 -6.711 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -8.393 -1.442 -4.693 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -8.332 -2.500 -6.123 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -7.026 -2.561 -4.915 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -6.869 0.495 -4.507 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -5.440 -0.545 -4.722 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -5.699 0.845 -5.802 1.00 0.00 H new ATOM 973 N ASP A 67 -5.790 -0.135 -9.241 1.00 0.00 N ATOM 974 CA ASP A 67 -5.205 0.897 -10.089 1.00 0.00 C ATOM 975 C ASP A 67 -5.700 2.281 -9.681 1.00 0.00 C ATOM 976 O ASP A 67 -6.894 2.573 -9.759 1.00 0.00 O ATOM 977 CB ASP A 67 -5.545 0.633 -11.557 1.00 0.00 C ATOM 978 CG ASP A 67 -6.936 1.111 -11.925 1.00 0.00 C ATOM 979 OD1 ASP A 67 -7.899 0.343 -11.725 1.00 0.00 O ATOM 980 OD2 ASP A 67 -7.061 2.254 -12.414 1.00 0.00 O ATOM 0 H ASP A 67 -6.558 -0.650 -9.672 1.00 0.00 H new ATOM 0 HA ASP A 67 -4.123 0.866 -9.963 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -4.813 1.132 -12.192 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -5.466 -0.435 -11.759 1.00 0.00 H new ATOM 985 N VAL A 68 -4.775 3.130 -9.244 1.00 0.00 N ATOM 986 CA VAL A 68 -5.117 4.483 -8.823 1.00 0.00 C ATOM 987 C VAL A 68 -4.309 5.519 -9.595 1.00 0.00 C ATOM 988 O VAL A 68 -3.150 5.288 -9.939 1.00 0.00 O ATOM 989 CB VAL A 68 -4.876 4.679 -7.314 1.00 0.00 C ATOM 990 CG1 VAL A 68 -5.267 6.086 -6.889 1.00 0.00 C ATOM 991 CG2 VAL A 68 -5.642 3.638 -6.513 1.00 0.00 C ATOM 0 H VAL A 68 -3.783 2.904 -9.172 1.00 0.00 H new ATOM 0 HA VAL A 68 -6.177 4.622 -9.035 1.00 0.00 H new ATOM 0 HB VAL A 68 -3.813 4.548 -7.113 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -5.090 6.206 -5.820 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -4.669 6.812 -7.440 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -6.323 6.250 -7.102 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -5.460 3.791 -5.449 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -6.708 3.735 -6.717 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -5.307 2.641 -6.798 1.00 0.00 H new ATOM 1001 N SER A 69 -4.929 6.664 -9.864 1.00 0.00 N ATOM 1002 CA SER A 69 -4.268 7.737 -10.599 1.00 0.00 C ATOM 1003 C SER A 69 -3.828 8.851 -9.655 1.00 0.00 C ATOM 1004 O SER A 69 -2.774 9.459 -9.843 1.00 0.00 O ATOM 1005 CB SER A 69 -5.203 8.300 -11.671 1.00 0.00 C ATOM 1006 OG SER A 69 -4.621 9.418 -12.319 1.00 0.00 O ATOM 0 H SER A 69 -5.887 6.873 -9.584 1.00 0.00 H new ATOM 0 HA SER A 69 -3.382 7.323 -11.081 1.00 0.00 H new ATOM 0 HB2 SER A 69 -5.427 7.526 -12.405 1.00 0.00 H new ATOM 0 HB3 SER A 69 -6.150 8.592 -11.216 1.00 0.00 H new ATOM 0 HG SER A 69 -5.237 9.759 -13.001 1.00 0.00 H new ATOM 1012 N SER A 70 -4.644 9.114 -8.639 1.00 0.00 N ATOM 1013 CA SER A 70 -4.342 10.158 -7.667 1.00 0.00 C ATOM 1014 C SER A 70 -3.350 9.657 -6.621 1.00 0.00 C ATOM 1015 O SER A 70 -3.022 8.470 -6.579 1.00 0.00 O ATOM 1016 CB SER A 70 -5.625 10.634 -6.983 1.00 0.00 C ATOM 1017 OG SER A 70 -6.432 11.381 -7.876 1.00 0.00 O ATOM 0 H SER A 70 -5.519 8.619 -8.468 1.00 0.00 H new ATOM 0 HA SER A 70 -3.890 10.995 -8.199 1.00 0.00 H new ATOM 0 HB2 SER A 70 -6.185 9.774 -6.614 1.00 0.00 H new ATOM 0 HB3 SER A 70 -5.373 11.246 -6.117 1.00 0.00 H new ATOM 0 HG SER A 70 -7.246 11.672 -7.415 1.00 0.00 H new ATOM 1023 N HIS A 71 -2.876 10.569 -5.779 1.00 0.00 N ATOM 1024 CA HIS A 71 -1.922 10.220 -4.732 1.00 0.00 C ATOM 1025 C HIS A 71 -2.632 9.587 -3.539 1.00 0.00 C ATOM 1026 O HIS A 71 -2.087 8.704 -2.877 1.00 0.00 O ATOM 1027 CB HIS A 71 -1.151 11.461 -4.282 1.00 0.00 C ATOM 1028 CG HIS A 71 -0.008 11.815 -5.182 1.00 0.00 C ATOM 1029 ND1 HIS A 71 0.070 13.010 -5.867 1.00 0.00 N ATOM 1030 CD2 HIS A 71 1.110 11.124 -5.507 1.00 0.00 C ATOM 1031 CE1 HIS A 71 1.184 13.037 -6.575 1.00 0.00 C ATOM 1032 NE2 HIS A 71 1.834 11.905 -6.374 1.00 0.00 N ATOM 0 H HIS A 71 -3.136 11.555 -5.801 1.00 0.00 H new ATOM 0 HA HIS A 71 -1.220 9.494 -5.141 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -1.837 12.306 -4.231 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -0.771 11.297 -3.274 1.00 0.00 H new ATOM 0 HD2 HIS A 71 1.382 10.141 -5.151 1.00 0.00 H new ATOM 0 HE1 HIS A 71 1.509 13.847 -7.211 1.00 0.00 H new ATOM 0 HE2 HIS A 71 2.728 11.652 -6.794 1.00 0.00 H new ATOM 1041 N SER A 72 -3.850 10.046 -3.270 1.00 0.00 N ATOM 1042 CA SER A 72 -4.633 9.528 -2.153 1.00 0.00 C ATOM 1043 C SER A 72 -5.845 8.749 -2.655 1.00 0.00 C ATOM 1044 O SER A 72 -6.456 9.110 -3.661 1.00 0.00 O ATOM 1045 CB SER A 72 -5.088 10.673 -1.247 1.00 0.00 C ATOM 1046 OG SER A 72 -5.937 11.568 -1.944 1.00 0.00 O ATOM 0 H SER A 72 -4.316 10.775 -3.810 1.00 0.00 H new ATOM 0 HA SER A 72 -3.999 8.851 -1.580 1.00 0.00 H new ATOM 0 HB2 SER A 72 -5.612 10.269 -0.381 1.00 0.00 H new ATOM 0 HB3 SER A 72 -4.218 11.211 -0.871 1.00 0.00 H new ATOM 0 HG SER A 72 -6.216 12.290 -1.343 1.00 0.00 H new ATOM 1052 N TYR A 73 -6.186 7.678 -1.947 1.00 0.00 N ATOM 1053 CA TYR A 73 -7.322 6.845 -2.320 1.00 0.00 C ATOM 1054 C TYR A 73 -8.112 6.416 -1.087 1.00 0.00 C ATOM 1055 O TYR A 73 -7.556 6.267 0.001 1.00 0.00 O ATOM 1056 CB TYR A 73 -6.847 5.611 -3.089 1.00 0.00 C ATOM 1057 CG TYR A 73 -7.975 4.758 -3.623 1.00 0.00 C ATOM 1058 CD1 TYR A 73 -8.636 5.099 -4.796 1.00 0.00 C ATOM 1059 CD2 TYR A 73 -8.380 3.609 -2.953 1.00 0.00 C ATOM 1060 CE1 TYR A 73 -9.668 4.322 -5.287 1.00 0.00 C ATOM 1061 CE2 TYR A 73 -9.410 2.826 -3.437 1.00 0.00 C ATOM 1062 CZ TYR A 73 -10.051 3.187 -4.604 1.00 0.00 C ATOM 1063 OH TYR A 73 -11.078 2.410 -5.090 1.00 0.00 O ATOM 0 H TYR A 73 -5.691 7.367 -1.111 1.00 0.00 H new ATOM 0 HA TYR A 73 -7.976 7.435 -2.962 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -6.220 5.931 -3.921 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -6.222 5.004 -2.434 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -8.338 5.987 -5.334 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -7.881 3.324 -2.039 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -10.172 4.602 -6.200 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -9.712 1.936 -2.905 1.00 0.00 H new ATOM 0 HH TYR A 73 -11.222 1.647 -4.492 1.00 0.00 H new ATOM 1073 N THR A 74 -9.415 6.219 -1.266 1.00 0.00 N ATOM 1074 CA THR A 74 -10.283 5.808 -0.170 1.00 0.00 C ATOM 1075 C THR A 74 -10.903 4.442 -0.442 1.00 0.00 C ATOM 1076 O THR A 74 -11.669 4.276 -1.391 1.00 0.00 O ATOM 1077 CB THR A 74 -11.409 6.832 0.069 1.00 0.00 C ATOM 1078 OG1 THR A 74 -10.855 8.144 0.214 1.00 0.00 O ATOM 1079 CG2 THR A 74 -12.210 6.475 1.312 1.00 0.00 C ATOM 0 H THR A 74 -9.892 6.338 -2.160 1.00 0.00 H new ATOM 0 HA THR A 74 -9.660 5.750 0.722 1.00 0.00 H new ATOM 0 HB THR A 74 -12.076 6.813 -0.793 1.00 0.00 H new ATOM 0 HG1 THR A 74 -11.577 8.789 0.364 1.00 0.00 H new ATOM 0 HG21 THR A 74 -12.999 7.212 1.460 1.00 0.00 H new ATOM 0 HG22 THR A 74 -12.654 5.488 1.187 1.00 0.00 H new ATOM 0 HG23 THR A 74 -11.551 6.469 2.180 1.00 0.00 H new ATOM 1087 N ILE A 75 -10.568 3.468 0.397 1.00 0.00 N ATOM 1088 CA ILE A 75 -11.094 2.117 0.247 1.00 0.00 C ATOM 1089 C ILE A 75 -12.320 1.903 1.129 1.00 0.00 C ATOM 1090 O ILE A 75 -12.239 1.991 2.353 1.00 0.00 O ATOM 1091 CB ILE A 75 -10.033 1.057 0.597 1.00 0.00 C ATOM 1092 CG1 ILE A 75 -8.788 1.243 -0.273 1.00 0.00 C ATOM 1093 CG2 ILE A 75 -10.603 -0.342 0.422 1.00 0.00 C ATOM 1094 CD1 ILE A 75 -7.528 0.680 0.347 1.00 0.00 C ATOM 0 H ILE A 75 -9.935 3.589 1.188 1.00 0.00 H new ATOM 0 HA ILE A 75 -11.377 2.004 -0.799 1.00 0.00 H new ATOM 0 HB ILE A 75 -9.746 1.183 1.641 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -8.954 0.764 -1.238 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -8.645 2.306 -0.466 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -9.841 -1.080 0.673 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -11.462 -0.470 1.080 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -10.915 -0.481 -0.613 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -6.686 0.847 -0.325 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -7.338 1.176 1.299 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -7.652 -0.390 0.514 1.00 0.00 H new ATOM 1106 N ASN A 76 -13.454 1.620 0.497 1.00 0.00 N ATOM 1107 CA ASN A 76 -14.698 1.393 1.224 1.00 0.00 C ATOM 1108 C ASN A 76 -15.056 -0.090 1.238 1.00 0.00 C ATOM 1109 O ASN A 76 -14.419 -0.900 0.566 1.00 0.00 O ATOM 1110 CB ASN A 76 -15.836 2.198 0.594 1.00 0.00 C ATOM 1111 CG ASN A 76 -15.420 3.614 0.247 1.00 0.00 C ATOM 1112 OD1 ASN A 76 -15.310 3.971 -0.926 1.00 0.00 O ATOM 1113 ND2 ASN A 76 -15.185 4.429 1.269 1.00 0.00 N ATOM 0 H ASN A 76 -13.538 1.542 -0.517 1.00 0.00 H new ATOM 0 HA ASN A 76 -14.554 1.724 2.253 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -16.179 1.692 -0.308 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -16.680 2.229 1.283 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -14.901 5.393 1.097 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -15.289 4.090 2.226 1.00 0.00 H new ATOM 1120 N GLY A 77 -16.081 -0.439 2.009 1.00 0.00 N ATOM 1121 CA GLY A 77 -16.507 -1.824 2.096 1.00 0.00 C ATOM 1122 C GLY A 77 -15.572 -2.665 2.942 1.00 0.00 C ATOM 1123 O GLY A 77 -15.043 -3.676 2.477 1.00 0.00 O ATOM 0 H GLY A 77 -16.624 0.213 2.575 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -17.511 -1.866 2.518 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -16.564 -2.247 1.093 1.00 0.00 H new ATOM 1127 N LEU A 78 -15.367 -2.249 4.187 1.00 0.00 N ATOM 1128 CA LEU A 78 -14.488 -2.971 5.100 1.00 0.00 C ATOM 1129 C LEU A 78 -15.187 -3.243 6.428 1.00 0.00 C ATOM 1130 O LEU A 78 -16.193 -2.611 6.754 1.00 0.00 O ATOM 1131 CB LEU A 78 -13.204 -2.175 5.340 1.00 0.00 C ATOM 1132 CG LEU A 78 -12.467 -1.698 4.088 1.00 0.00 C ATOM 1133 CD1 LEU A 78 -11.311 -0.785 4.466 1.00 0.00 C ATOM 1134 CD2 LEU A 78 -11.969 -2.885 3.277 1.00 0.00 C ATOM 0 H LEU A 78 -15.798 -1.415 4.587 1.00 0.00 H new ATOM 0 HA LEU A 78 -14.235 -3.927 4.641 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -13.448 -1.304 5.948 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -12.522 -2.791 5.926 1.00 0.00 H new ATOM 0 HG LEU A 78 -13.165 -1.131 3.472 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -10.798 -0.455 3.563 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -11.693 0.083 5.004 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -10.612 -1.327 5.103 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -11.447 -2.526 2.390 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -11.286 -3.480 3.884 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -12.816 -3.501 2.975 1.00 0.00 H new ATOM 1146 N LYS A 79 -14.647 -4.185 7.194 1.00 0.00 N ATOM 1147 CA LYS A 79 -15.215 -4.539 8.489 1.00 0.00 C ATOM 1148 C LYS A 79 -14.865 -3.492 9.541 1.00 0.00 C ATOM 1149 O LYS A 79 -14.055 -2.598 9.297 1.00 0.00 O ATOM 1150 CB LYS A 79 -14.709 -5.913 8.933 1.00 0.00 C ATOM 1151 CG LYS A 79 -15.356 -7.069 8.190 1.00 0.00 C ATOM 1152 CD LYS A 79 -14.857 -8.410 8.701 1.00 0.00 C ATOM 1153 CE LYS A 79 -14.952 -9.485 7.630 1.00 0.00 C ATOM 1154 NZ LYS A 79 -16.351 -9.956 7.439 1.00 0.00 N ATOM 0 H LYS A 79 -13.815 -4.718 6.939 1.00 0.00 H new ATOM 0 HA LYS A 79 -16.299 -4.575 8.384 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -13.630 -5.958 8.788 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -14.892 -6.031 10.001 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -16.439 -7.015 8.304 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -15.143 -6.983 7.125 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -13.822 -8.313 9.030 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -15.441 -8.709 9.571 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -14.569 -9.093 6.688 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -14.319 -10.329 7.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -16.373 -10.688 6.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -16.708 -10.353 8.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -16.950 -9.156 7.151 1.00 0.00 H new ATOM 1168 N LYS A 80 -15.480 -3.609 10.713 1.00 0.00 N ATOM 1169 CA LYS A 80 -15.231 -2.675 11.805 1.00 0.00 C ATOM 1170 C LYS A 80 -14.215 -3.246 12.789 1.00 0.00 C ATOM 1171 O LYS A 80 -14.220 -4.443 13.077 1.00 0.00 O ATOM 1172 CB LYS A 80 -16.537 -2.351 12.534 1.00 0.00 C ATOM 1173 CG LYS A 80 -17.636 -1.843 11.617 1.00 0.00 C ATOM 1174 CD LYS A 80 -18.504 -2.979 11.103 1.00 0.00 C ATOM 1175 CE LYS A 80 -19.559 -2.477 10.129 1.00 0.00 C ATOM 1176 NZ LYS A 80 -20.427 -3.582 9.634 1.00 0.00 N ATOM 0 H LYS A 80 -16.155 -4.342 10.931 1.00 0.00 H new ATOM 0 HA LYS A 80 -14.822 -1.758 11.380 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -16.888 -3.246 13.047 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -16.339 -1.601 13.300 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -18.256 -1.125 12.154 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -17.192 -1.313 10.774 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -17.878 -3.723 10.611 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -18.990 -3.476 11.943 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -20.175 -1.722 10.618 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -19.071 -1.992 9.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -21.133 -3.199 8.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -19.843 -4.290 9.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -20.912 -4.029 10.438 1.00 0.00 H new ATOM 1190 N TYR A 81 -13.346 -2.382 13.303 1.00 0.00 N ATOM 1191 CA TYR A 81 -12.324 -2.801 14.254 1.00 0.00 C ATOM 1192 C TYR A 81 -11.469 -3.925 13.676 1.00 0.00 C ATOM 1193 O TYR A 81 -11.170 -4.907 14.355 1.00 0.00 O ATOM 1194 CB TYR A 81 -12.972 -3.260 15.562 1.00 0.00 C ATOM 1195 CG TYR A 81 -12.050 -3.172 16.757 1.00 0.00 C ATOM 1196 CD1 TYR A 81 -11.456 -1.968 17.115 1.00 0.00 C ATOM 1197 CD2 TYR A 81 -11.774 -4.294 17.530 1.00 0.00 C ATOM 1198 CE1 TYR A 81 -10.613 -1.884 18.206 1.00 0.00 C ATOM 1199 CE2 TYR A 81 -10.933 -4.219 18.623 1.00 0.00 C ATOM 1200 CZ TYR A 81 -10.355 -3.012 18.957 1.00 0.00 C ATOM 1201 OH TYR A 81 -9.516 -2.932 20.045 1.00 0.00 O ATOM 0 H TYR A 81 -13.329 -1.388 13.077 1.00 0.00 H new ATOM 0 HA TYR A 81 -11.679 -1.945 14.456 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -13.858 -2.654 15.751 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -13.309 -4.290 15.449 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -11.657 -1.083 16.530 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -12.225 -5.241 17.271 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -10.158 -0.940 18.470 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -10.729 -5.100 19.213 1.00 0.00 H new ATOM 0 HH TYR A 81 -9.441 -3.814 20.466 1.00 0.00 H new ATOM 1211 N THR A 82 -11.077 -3.772 12.415 1.00 0.00 N ATOM 1212 CA THR A 82 -10.257 -4.772 11.743 1.00 0.00 C ATOM 1213 C THR A 82 -9.009 -4.142 11.135 1.00 0.00 C ATOM 1214 O THR A 82 -9.077 -3.079 10.519 1.00 0.00 O ATOM 1215 CB THR A 82 -11.046 -5.492 10.633 1.00 0.00 C ATOM 1216 OG1 THR A 82 -12.161 -6.190 11.199 1.00 0.00 O ATOM 1217 CG2 THR A 82 -10.155 -6.472 9.884 1.00 0.00 C ATOM 0 H THR A 82 -11.314 -2.965 11.839 1.00 0.00 H new ATOM 0 HA THR A 82 -9.962 -5.499 12.500 1.00 0.00 H new ATOM 0 HB THR A 82 -11.406 -4.742 9.929 1.00 0.00 H new ATOM 0 HG1 THR A 82 -12.740 -5.555 11.669 1.00 0.00 H new ATOM 0 HG21 THR A 82 -10.734 -6.968 9.105 1.00 0.00 H new ATOM 0 HG22 THR A 82 -9.323 -5.934 9.430 1.00 0.00 H new ATOM 0 HG23 THR A 82 -9.769 -7.217 10.579 1.00 0.00 H new ATOM 1225 N GLU A 83 -7.870 -4.804 11.314 1.00 0.00 N ATOM 1226 CA GLU A 83 -6.607 -4.307 10.783 1.00 0.00 C ATOM 1227 C GLU A 83 -6.487 -4.610 9.292 1.00 0.00 C ATOM 1228 O GLU A 83 -6.949 -5.648 8.819 1.00 0.00 O ATOM 1229 CB GLU A 83 -5.430 -4.930 11.537 1.00 0.00 C ATOM 1230 CG GLU A 83 -4.210 -4.028 11.614 1.00 0.00 C ATOM 1231 CD GLU A 83 -3.158 -4.551 12.572 1.00 0.00 C ATOM 1232 OE1 GLU A 83 -3.519 -5.322 13.486 1.00 0.00 O ATOM 1233 OE2 GLU A 83 -1.974 -4.190 12.409 1.00 0.00 O ATOM 0 H GLU A 83 -7.797 -5.685 11.822 1.00 0.00 H new ATOM 0 HA GLU A 83 -6.585 -3.226 10.920 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -5.750 -5.182 12.548 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -5.151 -5.864 11.049 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -3.773 -3.928 10.620 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -4.519 -3.031 11.928 1.00 0.00 H new ATOM 1240 N TYR A 84 -5.864 -3.695 8.557 1.00 0.00 N ATOM 1241 CA TYR A 84 -5.686 -3.861 7.119 1.00 0.00 C ATOM 1242 C TYR A 84 -4.309 -3.371 6.681 1.00 0.00 C ATOM 1243 O TYR A 84 -3.895 -2.263 7.021 1.00 0.00 O ATOM 1244 CB TYR A 84 -6.775 -3.104 6.358 1.00 0.00 C ATOM 1245 CG TYR A 84 -8.090 -3.847 6.284 1.00 0.00 C ATOM 1246 CD1 TYR A 84 -9.029 -3.739 7.302 1.00 0.00 C ATOM 1247 CD2 TYR A 84 -8.392 -4.657 5.196 1.00 0.00 C ATOM 1248 CE1 TYR A 84 -10.232 -4.416 7.238 1.00 0.00 C ATOM 1249 CE2 TYR A 84 -9.592 -5.337 5.124 1.00 0.00 C ATOM 1250 CZ TYR A 84 -10.509 -5.214 6.148 1.00 0.00 C ATOM 1251 OH TYR A 84 -11.705 -5.890 6.080 1.00 0.00 O ATOM 0 H TYR A 84 -5.474 -2.831 8.933 1.00 0.00 H new ATOM 0 HA TYR A 84 -5.764 -4.924 6.889 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -6.939 -2.139 6.839 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -6.425 -2.900 5.346 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -8.815 -3.116 8.158 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -7.676 -4.756 4.393 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -10.952 -4.321 8.038 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -9.812 -5.962 4.271 1.00 0.00 H new ATOM 0 HH TYR A 84 -11.543 -6.852 6.177 1.00 0.00 H new ATOM 1261 N SER A 85 -3.605 -4.206 5.924 1.00 0.00 N ATOM 1262 CA SER A 85 -2.273 -3.861 5.440 1.00 0.00 C ATOM 1263 C SER A 85 -2.357 -3.034 4.161 1.00 0.00 C ATOM 1264 O SER A 85 -3.291 -3.181 3.373 1.00 0.00 O ATOM 1265 CB SER A 85 -1.454 -5.129 5.188 1.00 0.00 C ATOM 1266 OG SER A 85 -0.065 -4.867 5.291 1.00 0.00 O ATOM 0 H SER A 85 -3.934 -5.126 5.632 1.00 0.00 H new ATOM 0 HA SER A 85 -1.779 -3.264 6.206 1.00 0.00 H new ATOM 0 HB2 SER A 85 -1.737 -5.897 5.907 1.00 0.00 H new ATOM 0 HB3 SER A 85 -1.681 -5.521 4.197 1.00 0.00 H new ATOM 0 HG SER A 85 0.437 -5.693 5.128 1.00 0.00 H new ATOM 1272 N PHE A 86 -1.373 -2.163 3.962 1.00 0.00 N ATOM 1273 CA PHE A 86 -1.335 -1.310 2.780 1.00 0.00 C ATOM 1274 C PHE A 86 0.104 -1.060 2.335 1.00 0.00 C ATOM 1275 O PHE A 86 0.997 -0.874 3.162 1.00 0.00 O ATOM 1276 CB PHE A 86 -2.031 0.023 3.063 1.00 0.00 C ATOM 1277 CG PHE A 86 -3.496 -0.119 3.362 1.00 0.00 C ATOM 1278 CD1 PHE A 86 -4.393 -0.453 2.360 1.00 0.00 C ATOM 1279 CD2 PHE A 86 -3.977 0.082 4.646 1.00 0.00 C ATOM 1280 CE1 PHE A 86 -5.741 -0.583 2.633 1.00 0.00 C ATOM 1281 CE2 PHE A 86 -5.324 -0.047 4.926 1.00 0.00 C ATOM 1282 CZ PHE A 86 -6.208 -0.381 3.918 1.00 0.00 C ATOM 0 H PHE A 86 -0.592 -2.029 4.604 1.00 0.00 H new ATOM 0 HA PHE A 86 -1.862 -1.824 1.976 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -1.541 0.508 3.907 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -1.906 0.679 2.202 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -4.034 -0.614 1.354 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -3.290 0.343 5.438 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -6.430 -0.842 1.843 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -5.685 0.113 5.931 1.00 0.00 H new ATOM 0 HZ PHE A 86 -7.261 -0.484 4.134 1.00 0.00 H new ATOM 1292 N ARG A 87 0.320 -1.059 1.024 1.00 0.00 N ATOM 1293 CA ARG A 87 1.649 -0.834 0.469 1.00 0.00 C ATOM 1294 C ARG A 87 1.560 -0.188 -0.910 1.00 0.00 C ATOM 1295 O ARG A 87 0.790 -0.626 -1.765 1.00 0.00 O ATOM 1296 CB ARG A 87 2.416 -2.154 0.377 1.00 0.00 C ATOM 1297 CG ARG A 87 1.721 -3.205 -0.473 1.00 0.00 C ATOM 1298 CD ARG A 87 2.694 -4.273 -0.945 1.00 0.00 C ATOM 1299 NE ARG A 87 2.784 -5.387 -0.004 1.00 0.00 N ATOM 1300 CZ ARG A 87 3.800 -6.242 0.027 1.00 0.00 C ATOM 1301 NH1 ARG A 87 4.807 -6.112 -0.825 1.00 0.00 N ATOM 1302 NH2 ARG A 87 3.810 -7.230 0.913 1.00 0.00 N ATOM 0 H ARG A 87 -0.408 -1.211 0.326 1.00 0.00 H new ATOM 0 HA ARG A 87 2.184 -0.156 1.135 1.00 0.00 H new ATOM 0 HB2 ARG A 87 3.406 -1.961 -0.037 1.00 0.00 H new ATOM 0 HB3 ARG A 87 2.562 -2.550 1.382 1.00 0.00 H new ATOM 0 HG2 ARG A 87 0.921 -3.670 0.103 1.00 0.00 H new ATOM 0 HG3 ARG A 87 1.257 -2.728 -1.336 1.00 0.00 H new ATOM 0 HD2 ARG A 87 2.378 -4.646 -1.919 1.00 0.00 H new ATOM 0 HD3 ARG A 87 3.681 -3.830 -1.078 1.00 0.00 H new ATOM 0 HE ARG A 87 2.025 -5.515 0.666 1.00 0.00 H new ATOM 0 HH11 ARG A 87 4.803 -5.354 -1.507 1.00 0.00 H new ATOM 0 HH12 ARG A 87 5.586 -6.770 -0.798 1.00 0.00 H new ATOM 0 HH21 ARG A 87 3.037 -7.333 1.571 1.00 0.00 H new ATOM 0 HH22 ARG A 87 4.590 -7.886 0.936 1.00 0.00 H new ATOM 1316 N VAL A 88 2.354 0.858 -1.120 1.00 0.00 N ATOM 1317 CA VAL A 88 2.366 1.565 -2.396 1.00 0.00 C ATOM 1318 C VAL A 88 3.555 1.139 -3.249 1.00 0.00 C ATOM 1319 O VAL A 88 4.695 1.131 -2.784 1.00 0.00 O ATOM 1320 CB VAL A 88 2.414 3.090 -2.191 1.00 0.00 C ATOM 1321 CG1 VAL A 88 2.580 3.803 -3.525 1.00 0.00 C ATOM 1322 CG2 VAL A 88 1.163 3.571 -1.473 1.00 0.00 C ATOM 0 H VAL A 88 2.997 1.234 -0.423 1.00 0.00 H new ATOM 0 HA VAL A 88 1.442 1.304 -2.912 1.00 0.00 H new ATOM 0 HB VAL A 88 3.276 3.328 -1.568 1.00 0.00 H new ATOM 0 HG11 VAL A 88 2.612 4.880 -3.360 1.00 0.00 H new ATOM 0 HG12 VAL A 88 3.508 3.480 -3.997 1.00 0.00 H new ATOM 0 HG13 VAL A 88 1.739 3.560 -4.175 1.00 0.00 H new ATOM 0 HG21 VAL A 88 1.214 4.651 -1.337 1.00 0.00 H new ATOM 0 HG22 VAL A 88 0.284 3.322 -2.067 1.00 0.00 H new ATOM 0 HG23 VAL A 88 1.093 3.085 -0.500 1.00 0.00 H new ATOM 1332 N VAL A 89 3.282 0.785 -4.501 1.00 0.00 N ATOM 1333 CA VAL A 89 4.330 0.360 -5.421 1.00 0.00 C ATOM 1334 C VAL A 89 4.413 1.289 -6.627 1.00 0.00 C ATOM 1335 O VAL A 89 3.392 1.695 -7.182 1.00 0.00 O ATOM 1336 CB VAL A 89 4.095 -1.081 -5.911 1.00 0.00 C ATOM 1337 CG1 VAL A 89 5.170 -1.488 -6.908 1.00 0.00 C ATOM 1338 CG2 VAL A 89 4.056 -2.044 -4.735 1.00 0.00 C ATOM 0 H VAL A 89 2.344 0.784 -4.901 1.00 0.00 H new ATOM 0 HA VAL A 89 5.270 0.400 -4.871 1.00 0.00 H new ATOM 0 HB VAL A 89 3.130 -1.121 -6.416 1.00 0.00 H new ATOM 0 HG11 VAL A 89 4.988 -2.509 -7.243 1.00 0.00 H new ATOM 0 HG12 VAL A 89 5.145 -0.815 -7.765 1.00 0.00 H new ATOM 0 HG13 VAL A 89 6.149 -1.432 -6.431 1.00 0.00 H new ATOM 0 HG21 VAL A 89 3.889 -3.057 -5.100 1.00 0.00 H new ATOM 0 HG22 VAL A 89 5.004 -2.003 -4.199 1.00 0.00 H new ATOM 0 HG23 VAL A 89 3.246 -1.763 -4.061 1.00 0.00 H new ATOM 1348 N ALA A 90 5.636 1.621 -7.029 1.00 0.00 N ATOM 1349 CA ALA A 90 5.852 2.499 -8.171 1.00 0.00 C ATOM 1350 C ALA A 90 5.882 1.708 -9.474 1.00 0.00 C ATOM 1351 O ALA A 90 6.656 0.763 -9.621 1.00 0.00 O ATOM 1352 CB ALA A 90 7.146 3.282 -7.997 1.00 0.00 C ATOM 0 H ALA A 90 6.492 1.295 -6.580 1.00 0.00 H new ATOM 0 HA ALA A 90 5.019 3.200 -8.221 1.00 0.00 H new ATOM 0 HB1 ALA A 90 7.295 3.934 -8.858 1.00 0.00 H new ATOM 0 HB2 ALA A 90 7.087 3.885 -7.091 1.00 0.00 H new ATOM 0 HB3 ALA A 90 7.983 2.588 -7.918 1.00 0.00 H new ATOM 1358 N TYR A 91 5.033 2.101 -10.418 1.00 0.00 N ATOM 1359 CA TYR A 91 4.960 1.426 -11.708 1.00 0.00 C ATOM 1360 C TYR A 91 5.242 2.400 -12.849 1.00 0.00 C ATOM 1361 O TYR A 91 4.421 3.261 -13.162 1.00 0.00 O ATOM 1362 CB TYR A 91 3.582 0.788 -11.896 1.00 0.00 C ATOM 1363 CG TYR A 91 3.467 -0.593 -11.291 1.00 0.00 C ATOM 1364 CD1 TYR A 91 3.073 -0.763 -9.970 1.00 0.00 C ATOM 1365 CD2 TYR A 91 3.752 -1.727 -12.041 1.00 0.00 C ATOM 1366 CE1 TYR A 91 2.967 -2.023 -9.413 1.00 0.00 C ATOM 1367 CE2 TYR A 91 3.648 -2.991 -11.493 1.00 0.00 C ATOM 1368 CZ TYR A 91 3.255 -3.134 -10.179 1.00 0.00 C ATOM 1369 OH TYR A 91 3.150 -4.390 -9.628 1.00 0.00 O ATOM 0 H TYR A 91 4.386 2.883 -10.314 1.00 0.00 H new ATOM 0 HA TYR A 91 5.720 0.645 -11.725 1.00 0.00 H new ATOM 0 HB2 TYR A 91 2.827 1.435 -11.449 1.00 0.00 H new ATOM 0 HB3 TYR A 91 3.361 0.728 -12.962 1.00 0.00 H new ATOM 0 HD1 TYR A 91 2.846 0.104 -9.368 1.00 0.00 H new ATOM 0 HD2 TYR A 91 4.060 -1.619 -13.070 1.00 0.00 H new ATOM 0 HE1 TYR A 91 2.660 -2.138 -8.384 1.00 0.00 H new ATOM 0 HE2 TYR A 91 3.873 -3.862 -12.090 1.00 0.00 H new ATOM 0 HH TYR A 91 2.743 -4.324 -8.739 1.00 0.00 H new ATOM 1379 N ASN A 92 6.409 2.254 -13.468 1.00 0.00 N ATOM 1380 CA ASN A 92 6.801 3.120 -14.574 1.00 0.00 C ATOM 1381 C ASN A 92 6.987 2.313 -15.856 1.00 0.00 C ATOM 1382 O ASN A 92 6.968 1.082 -15.837 1.00 0.00 O ATOM 1383 CB ASN A 92 8.094 3.864 -14.234 1.00 0.00 C ATOM 1384 CG ASN A 92 9.252 2.920 -13.973 1.00 0.00 C ATOM 1385 OD1 ASN A 92 9.125 1.706 -14.130 1.00 0.00 O ATOM 1386 ND2 ASN A 92 10.390 3.477 -13.573 1.00 0.00 N ATOM 0 H ASN A 92 7.099 1.544 -13.223 1.00 0.00 H new ATOM 0 HA ASN A 92 6.004 3.846 -14.734 1.00 0.00 H new ATOM 0 HB2 ASN A 92 8.352 4.533 -15.055 1.00 0.00 H new ATOM 0 HB3 ASN A 92 7.931 4.487 -13.355 1.00 0.00 H new ATOM 0 HD21 ASN A 92 11.204 2.893 -13.383 1.00 0.00 H new ATOM 0 HD22 ASN A 92 10.449 4.489 -13.456 1.00 0.00 H new ATOM 1393 N LYS A 93 7.168 3.016 -16.969 1.00 0.00 N ATOM 1394 CA LYS A 93 7.360 2.367 -18.261 1.00 0.00 C ATOM 1395 C LYS A 93 8.303 1.175 -18.136 1.00 0.00 C ATOM 1396 O LYS A 93 8.066 0.119 -18.725 1.00 0.00 O ATOM 1397 CB LYS A 93 7.915 3.366 -19.279 1.00 0.00 C ATOM 1398 CG LYS A 93 9.211 4.025 -18.839 1.00 0.00 C ATOM 1399 CD LYS A 93 9.763 4.944 -19.916 1.00 0.00 C ATOM 1400 CE LYS A 93 10.703 5.987 -19.331 1.00 0.00 C ATOM 1401 NZ LYS A 93 11.284 6.863 -20.386 1.00 0.00 N ATOM 0 H LYS A 93 7.186 4.035 -17.002 1.00 0.00 H new ATOM 0 HA LYS A 93 6.391 2.006 -18.606 1.00 0.00 H new ATOM 0 HB2 LYS A 93 8.081 2.853 -20.226 1.00 0.00 H new ATOM 0 HB3 LYS A 93 7.168 4.138 -19.462 1.00 0.00 H new ATOM 0 HG2 LYS A 93 9.039 4.595 -17.926 1.00 0.00 H new ATOM 0 HG3 LYS A 93 9.948 3.258 -18.601 1.00 0.00 H new ATOM 0 HD2 LYS A 93 10.293 4.353 -20.663 1.00 0.00 H new ATOM 0 HD3 LYS A 93 8.940 5.441 -20.428 1.00 0.00 H new ATOM 0 HE2 LYS A 93 10.163 6.598 -18.608 1.00 0.00 H new ATOM 0 HE3 LYS A 93 11.507 5.489 -18.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 11.919 7.560 -19.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 11.821 6.283 -21.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 10.519 7.358 -20.886 1.00 0.00 H new ATOM 1415 N HIS A 94 9.372 1.349 -17.365 1.00 0.00 N ATOM 1416 CA HIS A 94 10.349 0.286 -17.162 1.00 0.00 C ATOM 1417 C HIS A 94 9.705 -0.924 -16.492 1.00 0.00 C ATOM 1418 O HIS A 94 9.528 -1.970 -17.115 1.00 0.00 O ATOM 1419 CB HIS A 94 11.516 0.793 -16.313 1.00 0.00 C ATOM 1420 CG HIS A 94 12.058 2.113 -16.767 1.00 0.00 C ATOM 1421 ND1 HIS A 94 13.097 2.232 -17.665 1.00 0.00 N ATOM 1422 CD2 HIS A 94 11.696 3.377 -16.443 1.00 0.00 C ATOM 1423 CE1 HIS A 94 13.354 3.511 -17.872 1.00 0.00 C ATOM 1424 NE2 HIS A 94 12.517 4.227 -17.143 1.00 0.00 N ATOM 0 H HIS A 94 9.583 2.216 -16.871 1.00 0.00 H new ATOM 0 HA HIS A 94 10.725 -0.019 -18.138 1.00 0.00 H new ATOM 0 HB2 HIS A 94 11.189 0.881 -15.277 1.00 0.00 H new ATOM 0 HB3 HIS A 94 12.317 0.054 -16.333 1.00 0.00 H new ATOM 0 HD1 HIS A 94 13.591 1.454 -18.102 1.00 0.00 H new ATOM 0 HD2 HIS A 94 10.909 3.663 -15.761 1.00 0.00 H new ATOM 0 HE1 HIS A 94 14.118 3.904 -18.526 1.00 0.00 H new ATOM 1433 N GLY A 95 9.357 -0.773 -15.218 1.00 0.00 N ATOM 1434 CA GLY A 95 8.737 -1.861 -14.484 1.00 0.00 C ATOM 1435 C GLY A 95 8.484 -1.511 -13.031 1.00 0.00 C ATOM 1436 O GLY A 95 8.765 -0.400 -12.580 1.00 0.00 O ATOM 0 H GLY A 95 9.493 0.083 -14.681 1.00 0.00 H new ATOM 0 HA2 GLY A 95 7.793 -2.125 -14.961 1.00 0.00 H new ATOM 0 HA3 GLY A 95 9.377 -2.742 -14.536 1.00 0.00 H new ATOM 1440 N PRO A 96 7.939 -2.474 -12.273 1.00 0.00 N ATOM 1441 CA PRO A 96 7.636 -2.285 -10.851 1.00 0.00 C ATOM 1442 C PRO A 96 8.895 -2.188 -9.997 1.00 0.00 C ATOM 1443 O PRO A 96 9.753 -3.069 -10.037 1.00 0.00 O ATOM 1444 CB PRO A 96 6.839 -3.540 -10.489 1.00 0.00 C ATOM 1445 CG PRO A 96 7.281 -4.567 -11.473 1.00 0.00 C ATOM 1446 CD PRO A 96 7.579 -3.821 -12.744 1.00 0.00 C ATOM 0 HA PRO A 96 7.098 -1.354 -10.669 1.00 0.00 H new ATOM 0 HB2 PRO A 96 7.044 -3.858 -9.467 1.00 0.00 H new ATOM 0 HB3 PRO A 96 5.766 -3.361 -10.559 1.00 0.00 H new ATOM 0 HG2 PRO A 96 8.164 -5.096 -11.115 1.00 0.00 H new ATOM 0 HG3 PRO A 96 6.504 -5.315 -11.632 1.00 0.00 H new ATOM 0 HD2 PRO A 96 8.395 -4.284 -13.300 1.00 0.00 H new ATOM 0 HD3 PRO A 96 6.715 -3.797 -13.408 1.00 0.00 H new ATOM 1454 N GLY A 97 9.000 -1.111 -9.224 1.00 0.00 N ATOM 1455 CA GLY A 97 10.158 -0.920 -8.371 1.00 0.00 C ATOM 1456 C GLY A 97 9.937 -1.447 -6.967 1.00 0.00 C ATOM 1457 O GLY A 97 8.959 -2.147 -6.705 1.00 0.00 O ATOM 0 H GLY A 97 8.303 -0.368 -9.174 1.00 0.00 H new ATOM 0 HA2 GLY A 97 11.018 -1.423 -8.813 1.00 0.00 H new ATOM 0 HA3 GLY A 97 10.399 0.142 -8.323 1.00 0.00 H new ATOM 1461 N VAL A 98 10.849 -1.111 -6.060 1.00 0.00 N ATOM 1462 CA VAL A 98 10.750 -1.555 -4.675 1.00 0.00 C ATOM 1463 C VAL A 98 9.321 -1.427 -4.158 1.00 0.00 C ATOM 1464 O VAL A 98 8.477 -0.790 -4.788 1.00 0.00 O ATOM 1465 CB VAL A 98 11.690 -0.749 -3.758 1.00 0.00 C ATOM 1466 CG1 VAL A 98 13.144 -1.068 -4.072 1.00 0.00 C ATOM 1467 CG2 VAL A 98 11.420 0.741 -3.897 1.00 0.00 C ATOM 0 H VAL A 98 11.665 -0.533 -6.260 1.00 0.00 H new ATOM 0 HA VAL A 98 11.048 -2.603 -4.657 1.00 0.00 H new ATOM 0 HB VAL A 98 11.495 -1.035 -2.724 1.00 0.00 H new ATOM 0 HG11 VAL A 98 13.793 -0.490 -3.415 1.00 0.00 H new ATOM 0 HG12 VAL A 98 13.325 -2.132 -3.917 1.00 0.00 H new ATOM 0 HG13 VAL A 98 13.357 -0.811 -5.110 1.00 0.00 H new ATOM 0 HG21 VAL A 98 12.093 1.295 -3.242 1.00 0.00 H new ATOM 0 HG22 VAL A 98 11.586 1.046 -4.930 1.00 0.00 H new ATOM 0 HG23 VAL A 98 10.387 0.951 -3.618 1.00 0.00 H new ATOM 1477 N SER A 99 9.058 -2.035 -3.006 1.00 0.00 N ATOM 1478 CA SER A 99 7.730 -1.992 -2.405 1.00 0.00 C ATOM 1479 C SER A 99 7.799 -1.479 -0.969 1.00 0.00 C ATOM 1480 O SER A 99 8.519 -2.029 -0.135 1.00 0.00 O ATOM 1481 CB SER A 99 7.089 -3.381 -2.432 1.00 0.00 C ATOM 1482 OG SER A 99 5.812 -3.366 -1.818 1.00 0.00 O ATOM 0 H SER A 99 9.747 -2.563 -2.470 1.00 0.00 H new ATOM 0 HA SER A 99 7.117 -1.305 -2.989 1.00 0.00 H new ATOM 0 HB2 SER A 99 6.996 -3.722 -3.463 1.00 0.00 H new ATOM 0 HB3 SER A 99 7.735 -4.093 -1.918 1.00 0.00 H new ATOM 0 HG SER A 99 5.884 -3.713 -0.905 1.00 0.00 H new ATOM 1488 N THR A 100 7.045 -0.421 -0.688 1.00 0.00 N ATOM 1489 CA THR A 100 7.021 0.168 0.645 1.00 0.00 C ATOM 1490 C THR A 100 6.666 -0.874 1.700 1.00 0.00 C ATOM 1491 O THR A 100 6.052 -1.901 1.411 1.00 0.00 O ATOM 1492 CB THR A 100 6.013 1.330 0.727 1.00 0.00 C ATOM 1493 OG1 THR A 100 4.823 0.998 0.005 1.00 0.00 O ATOM 1494 CG2 THR A 100 6.615 2.608 0.164 1.00 0.00 C ATOM 0 H THR A 100 6.443 0.046 -1.366 1.00 0.00 H new ATOM 0 HA THR A 100 8.023 0.551 0.840 1.00 0.00 H new ATOM 0 HB THR A 100 5.766 1.495 1.776 1.00 0.00 H new ATOM 0 HG1 THR A 100 4.938 1.230 -0.940 1.00 0.00 H new ATOM 0 HG21 THR A 100 5.885 3.415 0.232 1.00 0.00 H new ATOM 0 HG22 THR A 100 7.504 2.874 0.735 1.00 0.00 H new ATOM 0 HG23 THR A 100 6.887 2.453 -0.880 1.00 0.00 H new ATOM 1502 N PRO A 101 7.060 -0.605 2.953 1.00 0.00 N ATOM 1503 CA PRO A 101 6.793 -1.508 4.077 1.00 0.00 C ATOM 1504 C PRO A 101 5.314 -1.551 4.447 1.00 0.00 C ATOM 1505 O PRO A 101 4.675 -0.512 4.610 1.00 0.00 O ATOM 1506 CB PRO A 101 7.612 -0.903 5.220 1.00 0.00 C ATOM 1507 CG PRO A 101 7.741 0.540 4.872 1.00 0.00 C ATOM 1508 CD PRO A 101 7.796 0.600 3.370 1.00 0.00 C ATOM 0 HA PRO A 101 7.058 -2.539 3.843 1.00 0.00 H new ATOM 0 HB2 PRO A 101 7.111 -1.036 6.179 1.00 0.00 H new ATOM 0 HB3 PRO A 101 8.589 -1.379 5.302 1.00 0.00 H new ATOM 0 HG2 PRO A 101 6.895 1.111 5.255 1.00 0.00 H new ATOM 0 HG3 PRO A 101 8.641 0.969 5.313 1.00 0.00 H new ATOM 0 HD2 PRO A 101 7.330 1.508 2.987 1.00 0.00 H new ATOM 0 HD3 PRO A 101 8.823 0.590 3.005 1.00 0.00 H new ATOM 1516 N ASP A 102 4.777 -2.759 4.578 1.00 0.00 N ATOM 1517 CA ASP A 102 3.374 -2.938 4.930 1.00 0.00 C ATOM 1518 C ASP A 102 2.935 -1.901 5.960 1.00 0.00 C ATOM 1519 O ASP A 102 3.632 -1.656 6.945 1.00 0.00 O ATOM 1520 CB ASP A 102 3.138 -4.347 5.476 1.00 0.00 C ATOM 1521 CG ASP A 102 3.486 -5.424 4.467 1.00 0.00 C ATOM 1522 OD1 ASP A 102 3.335 -5.171 3.254 1.00 0.00 O ATOM 1523 OD2 ASP A 102 3.909 -6.520 4.891 1.00 0.00 O ATOM 0 H ASP A 102 5.293 -3.629 4.446 1.00 0.00 H new ATOM 0 HA ASP A 102 2.779 -2.802 4.027 1.00 0.00 H new ATOM 0 HB2 ASP A 102 3.736 -4.490 6.376 1.00 0.00 H new ATOM 0 HB3 ASP A 102 2.093 -4.450 5.768 1.00 0.00 H new ATOM 1528 N VAL A 103 1.777 -1.293 5.724 1.00 0.00 N ATOM 1529 CA VAL A 103 1.245 -0.282 6.630 1.00 0.00 C ATOM 1530 C VAL A 103 -0.098 -0.714 7.207 1.00 0.00 C ATOM 1531 O VAL A 103 -1.151 -0.248 6.771 1.00 0.00 O ATOM 1532 CB VAL A 103 1.075 1.074 5.921 1.00 0.00 C ATOM 1533 CG1 VAL A 103 0.350 2.061 6.822 1.00 0.00 C ATOM 1534 CG2 VAL A 103 2.427 1.624 5.493 1.00 0.00 C ATOM 0 H VAL A 103 1.189 -1.483 4.913 1.00 0.00 H new ATOM 0 HA VAL A 103 1.966 -0.171 7.440 1.00 0.00 H new ATOM 0 HB VAL A 103 0.470 0.923 5.027 1.00 0.00 H new ATOM 0 HG11 VAL A 103 0.239 3.013 6.304 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -0.635 1.668 7.074 1.00 0.00 H new ATOM 0 HG13 VAL A 103 0.925 2.210 7.736 1.00 0.00 H new ATOM 0 HG21 VAL A 103 2.288 2.583 4.993 1.00 0.00 H new ATOM 0 HG22 VAL A 103 3.059 1.760 6.371 1.00 0.00 H new ATOM 0 HG23 VAL A 103 2.904 0.924 4.808 1.00 0.00 H new ATOM 1544 N ALA A 104 -0.054 -1.606 8.192 1.00 0.00 N ATOM 1545 CA ALA A 104 -1.268 -2.098 8.831 1.00 0.00 C ATOM 1546 C ALA A 104 -1.934 -1.006 9.661 1.00 0.00 C ATOM 1547 O ALA A 104 -1.260 -0.232 10.342 1.00 0.00 O ATOM 1548 CB ALA A 104 -0.954 -3.307 9.700 1.00 0.00 C ATOM 0 H ALA A 104 0.809 -2.002 8.564 1.00 0.00 H new ATOM 0 HA ALA A 104 -1.965 -2.398 8.048 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -1.870 -3.664 10.171 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -0.531 -4.099 9.082 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -0.236 -3.025 10.470 1.00 0.00 H new ATOM 1554 N VAL A 105 -3.260 -0.947 9.600 1.00 0.00 N ATOM 1555 CA VAL A 105 -4.017 0.051 10.346 1.00 0.00 C ATOM 1556 C VAL A 105 -5.352 -0.513 10.820 1.00 0.00 C ATOM 1557 O VAL A 105 -6.005 -1.273 10.105 1.00 0.00 O ATOM 1558 CB VAL A 105 -4.276 1.310 9.497 1.00 0.00 C ATOM 1559 CG1 VAL A 105 -5.247 1.002 8.368 1.00 0.00 C ATOM 1560 CG2 VAL A 105 -4.800 2.441 10.369 1.00 0.00 C ATOM 0 H VAL A 105 -3.833 -1.579 9.041 1.00 0.00 H new ATOM 0 HA VAL A 105 -3.413 0.324 11.212 1.00 0.00 H new ATOM 0 HB VAL A 105 -3.333 1.630 9.055 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -5.418 1.903 7.779 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -4.827 0.225 7.729 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -6.193 0.657 8.786 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -4.978 3.323 9.753 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -5.733 2.134 10.841 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -4.065 2.678 11.138 1.00 0.00 H new ATOM 1570 N ARG A 106 -5.752 -0.135 12.030 1.00 0.00 N ATOM 1571 CA ARG A 106 -7.009 -0.603 12.600 1.00 0.00 C ATOM 1572 C ARG A 106 -8.150 0.351 12.258 1.00 0.00 C ATOM 1573 O ARG A 106 -8.073 1.551 12.527 1.00 0.00 O ATOM 1574 CB ARG A 106 -6.885 -0.743 14.118 1.00 0.00 C ATOM 1575 CG ARG A 106 -7.836 -1.766 14.715 1.00 0.00 C ATOM 1576 CD ARG A 106 -7.864 -1.681 16.233 1.00 0.00 C ATOM 1577 NE ARG A 106 -6.541 -1.885 16.818 1.00 0.00 N ATOM 1578 CZ ARG A 106 -5.694 -0.896 17.080 1.00 0.00 C ATOM 1579 NH1 ARG A 106 -6.030 0.358 16.812 1.00 0.00 N ATOM 1580 NH2 ARG A 106 -4.508 -1.161 17.612 1.00 0.00 N ATOM 0 H ARG A 106 -5.223 0.494 12.634 1.00 0.00 H new ATOM 0 HA ARG A 106 -7.233 -1.579 12.169 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -5.861 -1.023 14.366 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -7.071 0.226 14.580 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -8.840 -1.604 14.322 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -7.532 -2.768 14.411 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -8.247 -0.706 16.534 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -8.553 -2.429 16.625 1.00 0.00 H new ATOM 0 HE ARG A 106 -6.252 -2.838 17.037 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -6.941 0.566 16.403 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -5.377 1.115 17.014 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -4.246 -2.125 17.820 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -3.858 -0.401 17.813 1.00 0.00 H new ATOM 1594 N THR A 107 -9.208 -0.189 11.662 1.00 0.00 N ATOM 1595 CA THR A 107 -10.364 0.613 11.281 1.00 0.00 C ATOM 1596 C THR A 107 -11.182 1.013 12.504 1.00 0.00 C ATOM 1597 O THR A 107 -11.158 0.332 13.530 1.00 0.00 O ATOM 1598 CB THR A 107 -11.273 -0.143 10.294 1.00 0.00 C ATOM 1599 OG1 THR A 107 -11.385 -1.516 10.685 1.00 0.00 O ATOM 1600 CG2 THR A 107 -10.723 -0.058 8.878 1.00 0.00 C ATOM 0 H THR A 107 -9.288 -1.180 11.432 1.00 0.00 H new ATOM 0 HA THR A 107 -9.980 1.510 10.794 1.00 0.00 H new ATOM 0 HB THR A 107 -12.259 0.322 10.313 1.00 0.00 H new ATOM 0 HG1 THR A 107 -10.561 -1.992 10.449 1.00 0.00 H new ATOM 0 HG21 THR A 107 -11.382 -0.599 8.199 1.00 0.00 H new ATOM 0 HG22 THR A 107 -10.665 0.987 8.572 1.00 0.00 H new ATOM 0 HG23 THR A 107 -9.727 -0.500 8.847 1.00 0.00 H new ATOM 1608 N LEU A 108 -11.907 2.120 12.388 1.00 0.00 N ATOM 1609 CA LEU A 108 -12.735 2.610 13.485 1.00 0.00 C ATOM 1610 C LEU A 108 -13.737 1.548 13.928 1.00 0.00 C ATOM 1611 O LEU A 108 -14.290 0.820 13.104 1.00 0.00 O ATOM 1612 CB LEU A 108 -13.475 3.881 13.063 1.00 0.00 C ATOM 1613 CG LEU A 108 -12.612 4.992 12.465 1.00 0.00 C ATOM 1614 CD1 LEU A 108 -13.486 6.098 11.893 1.00 0.00 C ATOM 1615 CD2 LEU A 108 -11.660 5.551 13.513 1.00 0.00 C ATOM 0 H LEU A 108 -11.939 2.695 11.546 1.00 0.00 H new ATOM 0 HA LEU A 108 -12.081 2.840 14.326 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -14.238 3.608 12.334 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -13.995 4.281 13.934 1.00 0.00 H new ATOM 0 HG LEU A 108 -12.020 4.568 11.654 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -12.854 6.880 11.472 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -14.126 5.688 11.112 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -14.105 6.519 12.685 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -11.054 6.341 13.069 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -12.234 5.958 14.345 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -11.010 4.755 13.876 1.00 0.00 H new ATOM 1627 N SER A 109 -13.967 1.467 15.234 1.00 0.00 N ATOM 1628 CA SER A 109 -14.901 0.494 15.787 1.00 0.00 C ATOM 1629 C SER A 109 -16.307 1.080 15.877 1.00 0.00 C ATOM 1630 O SER A 109 -16.494 2.203 16.343 1.00 0.00 O ATOM 1631 CB SER A 109 -14.437 0.040 17.173 1.00 0.00 C ATOM 1632 OG SER A 109 -14.802 0.981 18.167 1.00 0.00 O ATOM 0 H SER A 109 -13.519 2.064 15.929 1.00 0.00 H new ATOM 0 HA SER A 109 -14.927 -0.367 15.119 1.00 0.00 H new ATOM 0 HB2 SER A 109 -14.876 -0.930 17.407 1.00 0.00 H new ATOM 0 HB3 SER A 109 -13.355 -0.092 17.173 1.00 0.00 H new ATOM 0 HG SER A 109 -14.496 0.667 19.043 1.00 0.00 H new ATOM 1638 N ASP A 110 -17.291 0.310 15.425 1.00 0.00 N ATOM 1639 CA ASP A 110 -18.681 0.751 15.454 1.00 0.00 C ATOM 1640 C ASP A 110 -19.306 0.488 16.821 1.00 0.00 C ATOM 1641 O ASP A 110 -20.422 -0.023 16.916 1.00 0.00 O ATOM 1642 CB ASP A 110 -19.486 0.040 14.366 1.00 0.00 C ATOM 1643 CG ASP A 110 -19.550 -1.460 14.578 1.00 0.00 C ATOM 1644 OD1 ASP A 110 -18.482 -2.076 14.778 1.00 0.00 O ATOM 1645 OD2 ASP A 110 -20.667 -2.017 14.544 1.00 0.00 O ATOM 0 H ASP A 110 -17.152 -0.622 15.034 1.00 0.00 H new ATOM 0 HA ASP A 110 -18.700 1.825 15.266 1.00 0.00 H new ATOM 0 HB2 ASP A 110 -20.498 0.444 14.345 1.00 0.00 H new ATOM 0 HB3 ASP A 110 -19.039 0.248 13.394 1.00 0.00 H new ATOM 1650 N SER A 111 -18.579 0.839 17.876 1.00 0.00 N ATOM 1651 CA SER A 111 -19.060 0.637 19.238 1.00 0.00 C ATOM 1652 C SER A 111 -19.696 1.911 19.785 1.00 0.00 C ATOM 1653 O SER A 111 -19.001 2.824 20.229 1.00 0.00 O ATOM 1654 CB SER A 111 -17.911 0.196 20.147 1.00 0.00 C ATOM 1655 OG SER A 111 -18.395 -0.239 21.406 1.00 0.00 O ATOM 0 H SER A 111 -17.654 1.265 17.814 1.00 0.00 H new ATOM 0 HA SER A 111 -19.818 -0.146 19.216 1.00 0.00 H new ATOM 0 HB2 SER A 111 -17.354 -0.610 19.670 1.00 0.00 H new ATOM 0 HB3 SER A 111 -17.216 1.024 20.287 1.00 0.00 H new ATOM 0 HG SER A 111 -17.642 -0.517 21.968 1.00 0.00 H new ATOM 1661 N GLY A 112 -21.024 1.965 19.748 1.00 0.00 N ATOM 1662 CA GLY A 112 -21.733 3.131 20.242 1.00 0.00 C ATOM 1663 C GLY A 112 -22.517 2.840 21.506 1.00 0.00 C ATOM 1664 O GLY A 112 -22.089 2.067 22.364 1.00 0.00 O ATOM 0 H GLY A 112 -21.621 1.222 19.385 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -21.019 3.931 20.437 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -22.414 3.492 19.471 1.00 0.00 H new ATOM 1668 N PRO A 113 -23.694 3.470 21.636 1.00 0.00 N ATOM 1669 CA PRO A 113 -24.564 3.291 22.802 1.00 0.00 C ATOM 1670 C PRO A 113 -25.191 1.902 22.850 1.00 0.00 C ATOM 1671 O PRO A 113 -25.672 1.393 21.838 1.00 0.00 O ATOM 1672 CB PRO A 113 -25.643 4.359 22.607 1.00 0.00 C ATOM 1673 CG PRO A 113 -25.677 4.599 21.137 1.00 0.00 C ATOM 1674 CD PRO A 113 -24.266 4.405 20.653 1.00 0.00 C ATOM 0 HA PRO A 113 -24.015 3.387 23.739 1.00 0.00 H new ATOM 0 HB2 PRO A 113 -26.610 4.016 22.975 1.00 0.00 H new ATOM 0 HB3 PRO A 113 -25.400 5.271 23.152 1.00 0.00 H new ATOM 0 HG2 PRO A 113 -26.358 3.905 20.644 1.00 0.00 H new ATOM 0 HG3 PRO A 113 -26.031 5.605 20.914 1.00 0.00 H new ATOM 0 HD2 PRO A 113 -24.240 3.993 19.644 1.00 0.00 H new ATOM 0 HD3 PRO A 113 -23.717 5.346 20.627 1.00 0.00 H new ATOM 1682 N SER A 114 -25.183 1.295 24.032 1.00 0.00 N ATOM 1683 CA SER A 114 -25.748 -0.038 24.211 1.00 0.00 C ATOM 1684 C SER A 114 -26.464 -0.148 25.554 1.00 0.00 C ATOM 1685 O SER A 114 -26.060 0.471 26.538 1.00 0.00 O ATOM 1686 CB SER A 114 -24.650 -1.098 24.117 1.00 0.00 C ATOM 1687 OG SER A 114 -23.782 -1.034 25.235 1.00 0.00 O ATOM 0 H SER A 114 -24.792 1.705 24.880 1.00 0.00 H new ATOM 0 HA SER A 114 -26.474 -0.208 23.416 1.00 0.00 H new ATOM 0 HB2 SER A 114 -25.101 -2.089 24.059 1.00 0.00 H new ATOM 0 HB3 SER A 114 -24.078 -0.954 23.200 1.00 0.00 H new ATOM 0 HG SER A 114 -23.090 -1.723 25.152 1.00 0.00 H new ATOM 1693 N SER A 115 -27.530 -0.942 25.586 1.00 0.00 N ATOM 1694 CA SER A 115 -28.305 -1.132 26.806 1.00 0.00 C ATOM 1695 C SER A 115 -27.608 -2.112 27.745 1.00 0.00 C ATOM 1696 O SER A 115 -27.824 -3.320 27.671 1.00 0.00 O ATOM 1697 CB SER A 115 -29.708 -1.640 26.470 1.00 0.00 C ATOM 1698 OG SER A 115 -30.584 -1.489 27.574 1.00 0.00 O ATOM 0 H SER A 115 -27.876 -1.464 24.781 1.00 0.00 H new ATOM 0 HA SER A 115 -28.386 -0.169 27.309 1.00 0.00 H new ATOM 0 HB2 SER A 115 -30.101 -1.093 25.613 1.00 0.00 H new ATOM 0 HB3 SER A 115 -29.659 -2.690 26.182 1.00 0.00 H new ATOM 0 HG SER A 115 -31.474 -1.820 27.333 1.00 0.00 H new ATOM 1704 N GLY A 116 -26.770 -1.580 28.630 1.00 0.00 N ATOM 1705 CA GLY A 116 -26.054 -2.420 29.572 1.00 0.00 C ATOM 1706 C GLY A 116 -25.519 -3.685 28.930 1.00 0.00 C ATOM 1707 O GLY A 116 -25.588 -4.764 29.517 1.00 0.00 O ATOM 0 H GLY A 116 -26.574 -0.582 28.711 1.00 0.00 H new ATOM 0 HA2 GLY A 116 -25.226 -1.856 30.001 1.00 0.00 H new ATOM 0 HA3 GLY A 116 -26.718 -2.686 30.394 1.00 0.00 H new TER 1711 GLY A 116