USER MOD reduce.3.24.130724 H: found=0, std=0, add=625, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 621 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 26 CYS SG : rot 180:sc= 0 USER MOD Set 1.2: A 30 TYR OH : rot 157:sc= 0.679 USER MOD Set 1.3: A 62 HIS : no HD1:sc= -0.229 K(o=0.45,f=-4.2) USER MOD Set 2.1: A 12 SER OG : rot 131:sc= 0.661 USER MOD Set 2.2: A 14 SER OG : rot 180:sc= 0.0124 USER MOD Single : A 1 GLY N :NH3+ -117:sc= 0.0872 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot -86:sc= 0.116 USER MOD Single : A 5 SER OG : rot 130:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 140:sc= -0.722 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 GLN : amide:sc=-0.00842 X(o=-0.0084,f=-0.23) USER MOD Single : A 20 MET CE :methyl 140:sc= -0.309 (180deg=-1.68) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= 0.09 K(o=0.09,f=-1.4) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= -0.763 K(o=-0.76,f=-4.6!) USER MOD Single : A 38 LYS NZ :NH3+ -168:sc= 0.162 (180deg=0.114) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 43 GLN : amide:sc= -0.0853 X(o=-0.085,f=-0.57) USER MOD Single : A 48 THR OG1 : rot 180:sc= -0.175 USER MOD Single : A 49 HIS :FLIP no HD1:sc= -0.0161 F(o=-0.56,f=-0.016) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=-0.071) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 63 GLN : amide:sc= -0.462 K(o=-0.46,f=-1.3) USER MOD Single : A 74 CYS SG : rot 180:sc= 0 USER MOD Single : A 77 ASN : amide:sc= 0.0177 X(o=0.018,f=0) USER MOD Single : A 78 SER OG : rot 180:sc= -0.0349 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -5.870 3.582 8.634 1.00 0.00 N ATOM 2 CA GLY A 1 -5.285 3.501 7.308 1.00 0.00 C ATOM 3 C GLY A 1 -6.333 3.461 6.214 1.00 0.00 C ATOM 4 O GLY A 1 -7.531 3.526 6.489 1.00 0.00 O ATOM 0 H1 GLY A 1 -5.587 4.476 9.084 1.00 0.00 H new ATOM 0 H2 GLY A 1 -6.907 3.545 8.559 1.00 0.00 H new ATOM 0 H3 GLY A 1 -5.536 2.783 9.210 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -4.631 4.359 7.150 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -4.662 2.609 7.243 1.00 0.00 H new ATOM 8 N SER A 2 -5.882 3.354 4.968 1.00 0.00 N ATOM 9 CA SER A 2 -6.789 3.311 3.827 1.00 0.00 C ATOM 10 C SER A 2 -6.258 2.375 2.746 1.00 0.00 C ATOM 11 O SER A 2 -5.082 2.428 2.387 1.00 0.00 O ATOM 12 CB SER A 2 -6.986 4.715 3.251 1.00 0.00 C ATOM 13 OG SER A 2 -8.198 5.289 3.709 1.00 0.00 O ATOM 0 H SER A 2 -4.894 3.295 4.723 1.00 0.00 H new ATOM 0 HA SER A 2 -7.750 2.930 4.173 1.00 0.00 H new ATOM 0 HB2 SER A 2 -6.148 5.350 3.538 1.00 0.00 H new ATOM 0 HB3 SER A 2 -6.991 4.667 2.162 1.00 0.00 H new ATOM 0 HG SER A 2 -8.299 6.186 3.328 1.00 0.00 H new ATOM 19 N SER A 3 -7.134 1.518 2.231 1.00 0.00 N ATOM 20 CA SER A 3 -6.754 0.567 1.193 1.00 0.00 C ATOM 21 C SER A 3 -6.520 1.279 -0.136 1.00 0.00 C ATOM 22 O SER A 3 -7.308 2.130 -0.545 1.00 0.00 O ATOM 23 CB SER A 3 -7.837 -0.501 1.029 1.00 0.00 C ATOM 24 OG SER A 3 -9.099 -0.017 1.453 1.00 0.00 O ATOM 0 H SER A 3 -8.112 1.463 2.516 1.00 0.00 H new ATOM 0 HA SER A 3 -5.824 0.087 1.497 1.00 0.00 H new ATOM 0 HB2 SER A 3 -7.894 -0.808 -0.015 1.00 0.00 H new ATOM 0 HB3 SER A 3 -7.570 -1.386 1.607 1.00 0.00 H new ATOM 0 HG SER A 3 -9.194 -0.154 2.419 1.00 0.00 H new ATOM 30 N GLY A 4 -5.428 0.923 -0.807 1.00 0.00 N ATOM 31 CA GLY A 4 -5.108 1.536 -2.082 1.00 0.00 C ATOM 32 C GLY A 4 -5.387 0.616 -3.254 1.00 0.00 C ATOM 33 O GLY A 4 -4.734 -0.415 -3.412 1.00 0.00 O ATOM 0 H GLY A 4 -4.760 0.221 -0.490 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -5.688 2.452 -2.197 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -4.056 1.821 -2.091 1.00 0.00 H new ATOM 37 N SER A 5 -6.362 0.988 -4.078 1.00 0.00 N ATOM 38 CA SER A 5 -6.731 0.186 -5.238 1.00 0.00 C ATOM 39 C SER A 5 -6.956 1.071 -6.461 1.00 0.00 C ATOM 40 O SER A 5 -7.720 2.035 -6.411 1.00 0.00 O ATOM 41 CB SER A 5 -7.993 -0.627 -4.943 1.00 0.00 C ATOM 42 OG SER A 5 -8.386 -0.483 -3.589 1.00 0.00 O ATOM 0 H SER A 5 -6.911 1.840 -3.963 1.00 0.00 H new ATOM 0 HA SER A 5 -5.910 -0.498 -5.452 1.00 0.00 H new ATOM 0 HB2 SER A 5 -8.802 -0.300 -5.597 1.00 0.00 H new ATOM 0 HB3 SER A 5 -7.812 -1.679 -5.163 1.00 0.00 H new ATOM 0 HG SER A 5 -9.338 -0.252 -3.547 1.00 0.00 H new ATOM 48 N SER A 6 -6.285 0.735 -7.558 1.00 0.00 N ATOM 49 CA SER A 6 -6.409 1.500 -8.793 1.00 0.00 C ATOM 50 C SER A 6 -5.969 0.668 -9.994 1.00 0.00 C ATOM 51 O SER A 6 -4.883 0.866 -10.537 1.00 0.00 O ATOM 52 CB SER A 6 -5.573 2.779 -8.711 1.00 0.00 C ATOM 53 OG SER A 6 -4.419 2.584 -7.912 1.00 0.00 O ATOM 0 H SER A 6 -5.650 -0.061 -7.617 1.00 0.00 H new ATOM 0 HA SER A 6 -7.458 1.767 -8.922 1.00 0.00 H new ATOM 0 HB2 SER A 6 -5.277 3.089 -9.713 1.00 0.00 H new ATOM 0 HB3 SER A 6 -6.176 3.585 -8.294 1.00 0.00 H new ATOM 0 HG SER A 6 -3.901 3.415 -7.877 1.00 0.00 H new ATOM 59 N GLY A 7 -6.822 -0.267 -10.403 1.00 0.00 N ATOM 60 CA GLY A 7 -6.505 -1.116 -11.536 1.00 0.00 C ATOM 61 C GLY A 7 -7.082 -0.589 -12.835 1.00 0.00 C ATOM 62 O GLY A 7 -6.381 -0.501 -13.843 1.00 0.00 O ATOM 0 H GLY A 7 -7.727 -0.451 -9.970 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -5.422 -1.201 -11.631 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -6.888 -2.120 -11.352 1.00 0.00 H new ATOM 66 N VAL A 8 -8.364 -0.240 -12.813 1.00 0.00 N ATOM 67 CA VAL A 8 -9.035 0.280 -13.998 1.00 0.00 C ATOM 68 C VAL A 8 -8.381 1.571 -14.478 1.00 0.00 C ATOM 69 O VAL A 8 -8.464 1.921 -15.655 1.00 0.00 O ATOM 70 CB VAL A 8 -10.528 0.545 -13.727 1.00 0.00 C ATOM 71 CG1 VAL A 8 -11.229 0.999 -14.998 1.00 0.00 C ATOM 72 CG2 VAL A 8 -11.194 -0.698 -13.156 1.00 0.00 C ATOM 0 H VAL A 8 -8.959 -0.308 -11.987 1.00 0.00 H new ATOM 0 HA VAL A 8 -8.943 -0.481 -14.773 1.00 0.00 H new ATOM 0 HB VAL A 8 -10.610 1.344 -12.990 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -12.283 1.181 -14.787 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -10.767 1.918 -15.360 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -11.140 0.224 -15.759 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -12.248 -0.493 -12.970 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -11.104 -1.519 -13.868 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -10.708 -0.974 -12.220 1.00 0.00 H new ATOM 82 N SER A 9 -7.729 2.275 -13.558 1.00 0.00 N ATOM 83 CA SER A 9 -7.062 3.530 -13.886 1.00 0.00 C ATOM 84 C SER A 9 -5.806 3.277 -14.715 1.00 0.00 C ATOM 85 O SER A 9 -5.377 4.132 -15.491 1.00 0.00 O ATOM 86 CB SER A 9 -6.699 4.289 -12.609 1.00 0.00 C ATOM 87 OG SER A 9 -5.664 3.629 -11.900 1.00 0.00 O ATOM 0 H SER A 9 -7.648 1.998 -12.580 1.00 0.00 H new ATOM 0 HA SER A 9 -7.751 4.135 -14.476 1.00 0.00 H new ATOM 0 HB2 SER A 9 -6.383 5.301 -12.861 1.00 0.00 H new ATOM 0 HB3 SER A 9 -7.580 4.379 -11.973 1.00 0.00 H new ATOM 0 HG SER A 9 -5.038 4.293 -11.542 1.00 0.00 H new ATOM 93 N LYS A 10 -5.221 2.096 -14.546 1.00 0.00 N ATOM 94 CA LYS A 10 -4.015 1.727 -15.278 1.00 0.00 C ATOM 95 C LYS A 10 -4.327 0.690 -16.352 1.00 0.00 C ATOM 96 O LYS A 10 -3.448 -0.060 -16.778 1.00 0.00 O ATOM 97 CB LYS A 10 -2.958 1.180 -14.317 1.00 0.00 C ATOM 98 CG LYS A 10 -2.605 2.137 -13.192 1.00 0.00 C ATOM 99 CD LYS A 10 -1.155 2.585 -13.274 1.00 0.00 C ATOM 100 CE LYS A 10 -0.885 3.770 -12.360 1.00 0.00 C ATOM 101 NZ LYS A 10 -0.954 5.064 -13.093 1.00 0.00 N ATOM 0 H LYS A 10 -5.563 1.377 -13.908 1.00 0.00 H new ATOM 0 HA LYS A 10 -3.626 2.622 -15.764 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -3.318 0.245 -13.888 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -2.055 0.945 -14.880 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -3.259 3.008 -13.236 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -2.783 1.653 -12.232 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -0.501 1.757 -13.000 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -0.914 2.855 -14.302 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -1.611 3.774 -11.547 1.00 0.00 H new ATOM 0 HE3 LYS A 10 0.100 3.662 -11.907 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -0.764 5.846 -12.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -0.244 5.071 -13.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -1.902 5.180 -13.504 1.00 0.00 H new ATOM 115 N TRP A 11 -5.581 0.653 -16.787 1.00 0.00 N ATOM 116 CA TRP A 11 -6.007 -0.292 -17.813 1.00 0.00 C ATOM 117 C TRP A 11 -5.478 0.117 -19.183 1.00 0.00 C ATOM 118 O TRP A 11 -5.621 1.267 -19.596 1.00 0.00 O ATOM 119 CB TRP A 11 -7.534 -0.384 -17.848 1.00 0.00 C ATOM 120 CG TRP A 11 -8.074 -1.581 -17.127 1.00 0.00 C ATOM 121 CD1 TRP A 11 -7.499 -2.231 -16.072 1.00 0.00 C ATOM 122 CD2 TRP A 11 -9.296 -2.271 -17.408 1.00 0.00 C ATOM 123 NE1 TRP A 11 -8.290 -3.284 -15.681 1.00 0.00 N ATOM 124 CE2 TRP A 11 -9.398 -3.330 -16.484 1.00 0.00 C ATOM 125 CE3 TRP A 11 -10.315 -2.098 -18.348 1.00 0.00 C ATOM 126 CZ2 TRP A 11 -10.478 -4.209 -16.476 1.00 0.00 C ATOM 127 CZ3 TRP A 11 -11.385 -2.972 -18.339 1.00 0.00 C ATOM 128 CH2 TRP A 11 -11.461 -4.016 -17.408 1.00 0.00 C ATOM 0 H TRP A 11 -6.321 1.266 -16.445 1.00 0.00 H new ATOM 0 HA TRP A 11 -5.597 -1.271 -17.564 1.00 0.00 H new ATOM 0 HB2 TRP A 11 -7.955 0.518 -17.405 1.00 0.00 H new ATOM 0 HB3 TRP A 11 -7.865 -0.414 -18.886 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -6.561 -1.957 -15.613 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -8.085 -3.927 -14.916 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -10.267 -1.295 -19.069 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -10.538 -5.015 -15.759 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -12.177 -2.848 -19.063 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -12.312 -4.681 -17.426 1.00 0.00 H new ATOM 139 N SER A 12 -4.866 -0.833 -19.883 1.00 0.00 N ATOM 140 CA SER A 12 -4.312 -0.569 -21.206 1.00 0.00 C ATOM 141 C SER A 12 -5.410 -0.160 -22.183 1.00 0.00 C ATOM 142 O SER A 12 -6.596 -0.409 -21.964 1.00 0.00 O ATOM 143 CB SER A 12 -3.581 -1.807 -21.732 1.00 0.00 C ATOM 144 OG SER A 12 -4.359 -2.484 -22.703 1.00 0.00 O ATOM 0 H SER A 12 -4.741 -1.791 -19.557 1.00 0.00 H new ATOM 0 HA SER A 12 -3.603 0.254 -21.118 1.00 0.00 H new ATOM 0 HB2 SER A 12 -2.626 -1.512 -22.168 1.00 0.00 H new ATOM 0 HB3 SER A 12 -3.359 -2.481 -20.905 1.00 0.00 H new ATOM 0 HG SER A 12 -3.809 -2.667 -23.493 1.00 0.00 H new ATOM 150 N PRO A 13 -5.007 0.483 -23.289 1.00 0.00 N ATOM 151 CA PRO A 13 -5.940 0.941 -24.323 1.00 0.00 C ATOM 152 C PRO A 13 -6.555 -0.217 -25.102 1.00 0.00 C ATOM 153 O PRO A 13 -7.593 -0.063 -25.745 1.00 0.00 O ATOM 154 CB PRO A 13 -5.062 1.796 -25.240 1.00 0.00 C ATOM 155 CG PRO A 13 -3.683 1.264 -25.048 1.00 0.00 C ATOM 156 CD PRO A 13 -3.609 0.813 -23.616 1.00 0.00 C ATOM 0 HA PRO A 13 -6.787 1.480 -23.898 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -5.377 1.713 -26.280 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -5.120 2.851 -24.973 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -3.486 0.436 -25.729 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -2.937 2.031 -25.255 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -2.955 -0.051 -23.500 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -3.219 1.597 -22.967 1.00 0.00 H new ATOM 164 N SER A 14 -5.908 -1.376 -25.040 1.00 0.00 N ATOM 165 CA SER A 14 -6.390 -2.559 -25.743 1.00 0.00 C ATOM 166 C SER A 14 -7.257 -3.419 -24.828 1.00 0.00 C ATOM 167 O SER A 14 -8.123 -4.159 -25.293 1.00 0.00 O ATOM 168 CB SER A 14 -5.211 -3.382 -26.268 1.00 0.00 C ATOM 169 OG SER A 14 -3.986 -2.694 -26.083 1.00 0.00 O ATOM 0 H SER A 14 -5.049 -1.521 -24.510 1.00 0.00 H new ATOM 0 HA SER A 14 -6.997 -2.228 -26.586 1.00 0.00 H new ATOM 0 HB2 SER A 14 -5.175 -4.341 -25.752 1.00 0.00 H new ATOM 0 HB3 SER A 14 -5.355 -3.595 -27.327 1.00 0.00 H new ATOM 0 HG SER A 14 -3.249 -3.241 -26.425 1.00 0.00 H new ATOM 175 N GLN A 15 -7.016 -3.314 -23.525 1.00 0.00 N ATOM 176 CA GLN A 15 -7.774 -4.082 -22.545 1.00 0.00 C ATOM 177 C GLN A 15 -9.235 -3.645 -22.522 1.00 0.00 C ATOM 178 O GLN A 15 -10.143 -4.475 -22.549 1.00 0.00 O ATOM 179 CB GLN A 15 -7.159 -3.922 -21.153 1.00 0.00 C ATOM 180 CG GLN A 15 -5.976 -4.842 -20.901 1.00 0.00 C ATOM 181 CD GLN A 15 -6.323 -6.001 -19.988 1.00 0.00 C ATOM 182 OE1 GLN A 15 -7.428 -6.542 -20.045 1.00 0.00 O ATOM 183 NE2 GLN A 15 -5.378 -6.390 -19.140 1.00 0.00 N ATOM 0 H GLN A 15 -6.303 -2.705 -23.124 1.00 0.00 H new ATOM 0 HA GLN A 15 -7.733 -5.132 -22.834 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -6.839 -2.888 -21.023 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -7.925 -4.115 -20.402 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -5.613 -5.230 -21.853 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -5.161 -4.268 -20.460 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -4.477 -5.913 -19.127 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -5.554 -7.166 -18.502 1.00 0.00 H new ATOM 192 N VAL A 16 -9.455 -2.335 -22.471 1.00 0.00 N ATOM 193 CA VAL A 16 -10.805 -1.786 -22.445 1.00 0.00 C ATOM 194 C VAL A 16 -11.650 -2.352 -23.580 1.00 0.00 C ATOM 195 O VAL A 16 -12.856 -2.551 -23.431 1.00 0.00 O ATOM 196 CB VAL A 16 -10.789 -0.249 -22.549 1.00 0.00 C ATOM 197 CG1 VAL A 16 -12.206 0.302 -22.527 1.00 0.00 C ATOM 198 CG2 VAL A 16 -9.957 0.352 -21.426 1.00 0.00 C ATOM 0 H VAL A 16 -8.715 -1.634 -22.447 1.00 0.00 H new ATOM 0 HA VAL A 16 -11.245 -2.073 -21.490 1.00 0.00 H new ATOM 0 HB VAL A 16 -10.331 0.029 -23.498 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -12.175 1.389 -22.601 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -12.767 -0.103 -23.369 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -12.693 0.016 -21.595 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -9.957 1.438 -21.515 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -10.384 0.067 -20.464 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -8.934 -0.018 -21.493 1.00 0.00 H new ATOM 208 N VAL A 17 -11.010 -2.611 -24.715 1.00 0.00 N ATOM 209 CA VAL A 17 -11.702 -3.157 -25.877 1.00 0.00 C ATOM 210 C VAL A 17 -12.287 -4.531 -25.573 1.00 0.00 C ATOM 211 O VAL A 17 -13.352 -4.889 -26.075 1.00 0.00 O ATOM 212 CB VAL A 17 -10.760 -3.269 -27.090 1.00 0.00 C ATOM 213 CG1 VAL A 17 -11.538 -3.667 -28.335 1.00 0.00 C ATOM 214 CG2 VAL A 17 -10.018 -1.959 -27.311 1.00 0.00 C ATOM 0 H VAL A 17 -10.012 -2.452 -24.855 1.00 0.00 H new ATOM 0 HA VAL A 17 -12.510 -2.466 -26.117 1.00 0.00 H new ATOM 0 HB VAL A 17 -10.024 -4.047 -26.886 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -10.856 -3.741 -29.182 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -12.019 -4.631 -28.171 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -12.297 -2.914 -28.546 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -9.357 -2.056 -28.172 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -10.737 -1.160 -27.494 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -9.428 -1.721 -26.426 1.00 0.00 H new ATOM 224 N ASP A 18 -11.583 -5.298 -24.746 1.00 0.00 N ATOM 225 CA ASP A 18 -12.033 -6.634 -24.373 1.00 0.00 C ATOM 226 C ASP A 18 -13.235 -6.561 -23.437 1.00 0.00 C ATOM 227 O ASP A 18 -14.045 -7.486 -23.378 1.00 0.00 O ATOM 228 CB ASP A 18 -10.897 -7.409 -23.704 1.00 0.00 C ATOM 229 CG ASP A 18 -11.163 -8.901 -23.656 1.00 0.00 C ATOM 230 OD1 ASP A 18 -12.199 -9.335 -24.202 1.00 0.00 O ATOM 231 OD2 ASP A 18 -10.337 -9.633 -23.073 1.00 0.00 O ATOM 0 H ASP A 18 -10.699 -5.017 -24.322 1.00 0.00 H new ATOM 0 HA ASP A 18 -12.334 -7.156 -25.281 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -9.968 -7.226 -24.245 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -10.754 -7.036 -22.690 1.00 0.00 H new ATOM 236 N TRP A 19 -13.344 -5.456 -22.708 1.00 0.00 N ATOM 237 CA TRP A 19 -14.447 -5.263 -21.773 1.00 0.00 C ATOM 238 C TRP A 19 -15.760 -5.047 -22.519 1.00 0.00 C ATOM 239 O TRP A 19 -16.790 -5.613 -22.156 1.00 0.00 O ATOM 240 CB TRP A 19 -14.164 -4.072 -20.857 1.00 0.00 C ATOM 241 CG TRP A 19 -15.298 -3.752 -19.931 1.00 0.00 C ATOM 242 CD1 TRP A 19 -15.842 -4.576 -18.987 1.00 0.00 C ATOM 243 CD2 TRP A 19 -16.027 -2.522 -19.861 1.00 0.00 C ATOM 244 NE1 TRP A 19 -16.866 -3.932 -18.335 1.00 0.00 N ATOM 245 CE2 TRP A 19 -16.999 -2.671 -18.852 1.00 0.00 C ATOM 246 CE3 TRP A 19 -15.953 -1.309 -20.551 1.00 0.00 C ATOM 247 CZ2 TRP A 19 -17.888 -1.652 -18.519 1.00 0.00 C ATOM 248 CZ3 TRP A 19 -16.836 -0.300 -20.220 1.00 0.00 C ATOM 249 CH2 TRP A 19 -17.793 -0.475 -19.211 1.00 0.00 C ATOM 0 H TRP A 19 -12.683 -4.680 -22.746 1.00 0.00 H new ATOM 0 HA TRP A 19 -14.539 -6.164 -21.166 1.00 0.00 H new ATOM 0 HB2 TRP A 19 -13.271 -4.280 -20.268 1.00 0.00 H new ATOM 0 HB3 TRP A 19 -13.946 -3.196 -21.468 1.00 0.00 H new ATOM 0 HD1 TRP A 19 -15.515 -5.585 -18.783 1.00 0.00 H new ATOM 0 HE1 TRP A 19 -17.435 -4.329 -17.587 1.00 0.00 H new ATOM 0 HE3 TRP A 19 -15.218 -1.163 -21.329 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 -18.626 -1.786 -17.742 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 -16.788 0.641 -20.748 1.00 0.00 H new ATOM 0 HH2 TRP A 19 -18.468 0.334 -18.975 1.00 0.00 H new ATOM 260 N MET A 20 -15.715 -4.224 -23.562 1.00 0.00 N ATOM 261 CA MET A 20 -16.901 -3.936 -24.358 1.00 0.00 C ATOM 262 C MET A 20 -17.442 -5.205 -25.008 1.00 0.00 C ATOM 263 O MET A 20 -18.623 -5.286 -25.349 1.00 0.00 O ATOM 264 CB MET A 20 -16.580 -2.895 -25.433 1.00 0.00 C ATOM 265 CG MET A 20 -15.842 -1.678 -24.899 1.00 0.00 C ATOM 266 SD MET A 20 -15.597 -0.408 -26.156 1.00 0.00 S ATOM 267 CE MET A 20 -17.294 -0.023 -26.583 1.00 0.00 C ATOM 0 H MET A 20 -14.870 -3.746 -23.875 1.00 0.00 H new ATOM 0 HA MET A 20 -17.666 -3.536 -23.692 1.00 0.00 H new ATOM 0 HB2 MET A 20 -15.977 -3.363 -26.212 1.00 0.00 H new ATOM 0 HB3 MET A 20 -17.509 -2.570 -25.901 1.00 0.00 H new ATOM 0 HG2 MET A 20 -16.402 -1.255 -24.065 1.00 0.00 H new ATOM 0 HG3 MET A 20 -14.873 -1.988 -24.508 1.00 0.00 H new ATOM 0 HE1 MET A 20 -17.399 1.053 -26.724 1.00 0.00 H new ATOM 0 HE2 MET A 20 -17.563 -0.538 -27.505 1.00 0.00 H new ATOM 0 HE3 MET A 20 -17.954 -0.349 -25.780 1.00 0.00 H new ATOM 277 N LYS A 21 -16.572 -6.194 -25.178 1.00 0.00 N ATOM 278 CA LYS A 21 -16.961 -7.461 -25.787 1.00 0.00 C ATOM 279 C LYS A 21 -17.950 -8.209 -24.899 1.00 0.00 C ATOM 280 O LYS A 21 -18.595 -9.161 -25.337 1.00 0.00 O ATOM 281 CB LYS A 21 -15.727 -8.330 -26.039 1.00 0.00 C ATOM 282 CG LYS A 21 -14.759 -7.734 -27.046 1.00 0.00 C ATOM 283 CD LYS A 21 -14.114 -8.811 -27.904 1.00 0.00 C ATOM 284 CE LYS A 21 -13.870 -8.321 -29.323 1.00 0.00 C ATOM 285 NZ LYS A 21 -14.434 -9.254 -30.337 1.00 0.00 N ATOM 0 H LYS A 21 -15.591 -6.143 -24.902 1.00 0.00 H new ATOM 0 HA LYS A 21 -17.445 -7.245 -26.739 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -15.205 -8.488 -25.095 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -16.049 -9.310 -26.393 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -15.287 -7.026 -27.685 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -13.985 -7.174 -26.521 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -13.169 -9.117 -27.456 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -14.756 -9.692 -27.927 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -14.317 -7.335 -29.449 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -12.799 -8.209 -29.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -14.247 -8.884 -31.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -13.989 -10.188 -30.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -15.461 -9.342 -30.195 1.00 0.00 H new ATOM 299 N GLY A 22 -18.066 -7.771 -23.649 1.00 0.00 N ATOM 300 CA GLY A 22 -18.980 -8.410 -22.721 1.00 0.00 C ATOM 301 C GLY A 22 -20.072 -7.473 -22.244 1.00 0.00 C ATOM 302 O GLY A 22 -20.605 -7.636 -21.146 1.00 0.00 O ATOM 0 H GLY A 22 -17.543 -6.985 -23.263 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -19.434 -9.277 -23.202 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -18.421 -8.779 -21.861 1.00 0.00 H new ATOM 306 N LEU A 23 -20.406 -6.488 -23.070 1.00 0.00 N ATOM 307 CA LEU A 23 -21.441 -5.519 -22.726 1.00 0.00 C ATOM 308 C LEU A 23 -22.604 -5.592 -23.710 1.00 0.00 C ATOM 309 O LEU A 23 -22.681 -6.509 -24.528 1.00 0.00 O ATOM 310 CB LEU A 23 -20.858 -4.104 -22.713 1.00 0.00 C ATOM 311 CG LEU A 23 -19.582 -3.912 -21.893 1.00 0.00 C ATOM 312 CD1 LEU A 23 -19.168 -2.448 -21.885 1.00 0.00 C ATOM 313 CD2 LEU A 23 -19.779 -4.420 -20.472 1.00 0.00 C ATOM 0 H LEU A 23 -19.975 -6.339 -23.983 1.00 0.00 H new ATOM 0 HA LEU A 23 -21.815 -5.761 -21.731 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -20.653 -3.807 -23.742 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -21.618 -3.423 -22.330 1.00 0.00 H new ATOM 0 HG LEU A 23 -18.784 -4.492 -22.357 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -18.258 -2.330 -21.297 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -18.985 -2.116 -22.907 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -19.964 -1.847 -21.446 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -18.861 -4.275 -19.903 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -20.590 -3.868 -19.998 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -20.027 -5.481 -20.496 1.00 0.00 H new ATOM 325 N ASP A 24 -23.507 -4.621 -23.625 1.00 0.00 N ATOM 326 CA ASP A 24 -24.665 -4.574 -24.509 1.00 0.00 C ATOM 327 C ASP A 24 -24.238 -4.688 -25.970 1.00 0.00 C ATOM 328 O ASP A 24 -23.194 -4.169 -26.364 1.00 0.00 O ATOM 329 CB ASP A 24 -25.446 -3.277 -24.293 1.00 0.00 C ATOM 330 CG ASP A 24 -26.937 -3.514 -24.160 1.00 0.00 C ATOM 331 OD1 ASP A 24 -27.633 -3.517 -25.198 1.00 0.00 O ATOM 332 OD2 ASP A 24 -27.409 -3.698 -23.019 1.00 0.00 O ATOM 0 H ASP A 24 -23.459 -3.856 -22.952 1.00 0.00 H new ATOM 0 HA ASP A 24 -25.309 -5.421 -24.270 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -25.079 -2.780 -23.395 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -25.262 -2.602 -25.129 1.00 0.00 H new ATOM 337 N ASP A 25 -25.052 -5.371 -26.766 1.00 0.00 N ATOM 338 CA ASP A 25 -24.760 -5.554 -28.183 1.00 0.00 C ATOM 339 C ASP A 25 -24.697 -4.210 -28.903 1.00 0.00 C ATOM 340 O ASP A 25 -24.024 -4.073 -29.925 1.00 0.00 O ATOM 341 CB ASP A 25 -25.818 -6.446 -28.834 1.00 0.00 C ATOM 342 CG ASP A 25 -25.224 -7.704 -29.437 1.00 0.00 C ATOM 343 OD1 ASP A 25 -24.815 -8.595 -28.665 1.00 0.00 O ATOM 344 OD2 ASP A 25 -25.168 -7.796 -30.681 1.00 0.00 O ATOM 0 H ASP A 25 -25.920 -5.807 -26.454 1.00 0.00 H new ATOM 0 HA ASP A 25 -23.787 -6.038 -28.268 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -26.565 -6.721 -28.089 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -26.335 -5.883 -29.611 1.00 0.00 H new ATOM 349 N CYS A 26 -25.403 -3.223 -28.363 1.00 0.00 N ATOM 350 CA CYS A 26 -25.430 -1.890 -28.955 1.00 0.00 C ATOM 351 C CYS A 26 -24.084 -1.192 -28.784 1.00 0.00 C ATOM 352 O CYS A 26 -23.748 -0.276 -29.535 1.00 0.00 O ATOM 353 CB CYS A 26 -26.538 -1.049 -28.320 1.00 0.00 C ATOM 354 SG CYS A 26 -28.197 -1.436 -28.925 1.00 0.00 S ATOM 0 H CYS A 26 -25.964 -3.320 -27.517 1.00 0.00 H new ATOM 0 HA CYS A 26 -25.631 -1.997 -30.021 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -26.514 -1.192 -27.240 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -26.332 0.005 -28.506 1.00 0.00 H new ATOM 0 HG CYS A 26 -29.065 -0.675 -28.328 1.00 0.00 H new ATOM 360 N LEU A 27 -23.319 -1.631 -27.791 1.00 0.00 N ATOM 361 CA LEU A 27 -22.009 -1.048 -27.520 1.00 0.00 C ATOM 362 C LEU A 27 -20.905 -1.846 -28.205 1.00 0.00 C ATOM 363 O LEU A 27 -19.743 -1.785 -27.805 1.00 0.00 O ATOM 364 CB LEU A 27 -21.755 -0.995 -26.012 1.00 0.00 C ATOM 365 CG LEU A 27 -22.964 -0.654 -25.139 1.00 0.00 C ATOM 366 CD1 LEU A 27 -22.636 -0.861 -23.669 1.00 0.00 C ATOM 367 CD2 LEU A 27 -23.415 0.778 -25.390 1.00 0.00 C ATOM 0 H LEU A 27 -23.583 -2.388 -27.160 1.00 0.00 H new ATOM 0 HA LEU A 27 -22.000 -0.034 -27.920 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -21.365 -1.962 -25.695 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -20.975 -0.258 -25.821 1.00 0.00 H new ATOM 0 HG LEU A 27 -23.781 -1.324 -25.405 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -23.508 -0.613 -23.063 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -22.361 -1.902 -23.501 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -21.804 -0.216 -23.388 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -24.276 1.004 -24.761 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -22.601 1.463 -25.151 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -23.691 0.894 -26.438 1.00 0.00 H new ATOM 379 N GLN A 28 -21.276 -2.591 -29.241 1.00 0.00 N ATOM 380 CA GLN A 28 -20.316 -3.399 -29.983 1.00 0.00 C ATOM 381 C GLN A 28 -19.750 -2.622 -31.167 1.00 0.00 C ATOM 382 O GLN A 28 -18.538 -2.592 -31.378 1.00 0.00 O ATOM 383 CB GLN A 28 -20.976 -4.689 -30.474 1.00 0.00 C ATOM 384 CG GLN A 28 -21.480 -5.580 -29.350 1.00 0.00 C ATOM 385 CD GLN A 28 -20.358 -6.125 -28.489 1.00 0.00 C ATOM 386 OE1 GLN A 28 -19.346 -6.606 -28.999 1.00 0.00 O ATOM 387 NE2 GLN A 28 -20.532 -6.052 -27.174 1.00 0.00 N ATOM 0 H GLN A 28 -22.234 -2.652 -29.585 1.00 0.00 H new ATOM 0 HA GLN A 28 -19.495 -3.651 -29.311 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -21.811 -4.435 -31.127 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -20.259 -5.248 -31.076 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -22.170 -5.014 -28.725 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -22.043 -6.411 -29.775 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -21.387 -5.645 -26.794 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -19.811 -6.403 -26.544 1.00 0.00 H new ATOM 396 N GLN A 29 -20.635 -1.994 -31.935 1.00 0.00 N ATOM 397 CA GLN A 29 -20.222 -1.218 -33.098 1.00 0.00 C ATOM 398 C GLN A 29 -19.213 -0.143 -32.704 1.00 0.00 C ATOM 399 O GLN A 29 -18.404 0.292 -33.523 1.00 0.00 O ATOM 400 CB GLN A 29 -21.438 -0.573 -33.765 1.00 0.00 C ATOM 401 CG GLN A 29 -22.203 0.372 -32.852 1.00 0.00 C ATOM 402 CD GLN A 29 -23.324 1.096 -33.570 1.00 0.00 C ATOM 403 OE1 GLN A 29 -23.091 1.823 -34.537 1.00 0.00 O ATOM 404 NE2 GLN A 29 -24.551 0.901 -33.101 1.00 0.00 N ATOM 0 H GLN A 29 -21.642 -2.008 -31.773 1.00 0.00 H new ATOM 0 HA GLN A 29 -19.746 -1.896 -33.806 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -21.110 -0.025 -34.648 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -22.112 -1.358 -34.109 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -22.617 -0.192 -32.016 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -21.513 1.104 -32.432 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -24.699 0.290 -32.297 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -25.346 1.362 -33.544 1.00 0.00 H new ATOM 413 N TYR A 30 -19.268 0.280 -31.447 1.00 0.00 N ATOM 414 CA TYR A 30 -18.362 1.306 -30.945 1.00 0.00 C ATOM 415 C TYR A 30 -16.974 0.728 -30.686 1.00 0.00 C ATOM 416 O TYR A 30 -15.975 1.447 -30.715 1.00 0.00 O ATOM 417 CB TYR A 30 -18.917 1.924 -29.661 1.00 0.00 C ATOM 418 CG TYR A 30 -20.311 2.489 -29.814 1.00 0.00 C ATOM 419 CD1 TYR A 30 -20.662 3.232 -30.934 1.00 0.00 C ATOM 420 CD2 TYR A 30 -21.278 2.278 -28.838 1.00 0.00 C ATOM 421 CE1 TYR A 30 -21.934 3.751 -31.077 1.00 0.00 C ATOM 422 CE2 TYR A 30 -22.553 2.792 -28.974 1.00 0.00 C ATOM 423 CZ TYR A 30 -22.876 3.528 -30.094 1.00 0.00 C ATOM 424 OH TYR A 30 -24.145 4.042 -30.234 1.00 0.00 O ATOM 0 H TYR A 30 -19.931 -0.072 -30.756 1.00 0.00 H new ATOM 0 HA TYR A 30 -18.277 2.082 -31.706 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -18.925 1.167 -28.877 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -18.247 2.717 -29.330 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -19.928 3.407 -31.706 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -21.028 1.703 -27.959 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -22.190 4.328 -31.953 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -23.293 2.618 -28.207 1.00 0.00 H new ATOM 0 HH TYR A 30 -24.771 3.520 -29.691 1.00 0.00 H new ATOM 434 N ILE A 31 -16.921 -0.576 -30.435 1.00 0.00 N ATOM 435 CA ILE A 31 -15.657 -1.252 -30.173 1.00 0.00 C ATOM 436 C ILE A 31 -14.635 -0.949 -31.263 1.00 0.00 C ATOM 437 O ILE A 31 -13.484 -0.619 -30.977 1.00 0.00 O ATOM 438 CB ILE A 31 -15.845 -2.777 -30.072 1.00 0.00 C ATOM 439 CG1 ILE A 31 -16.860 -3.116 -28.978 1.00 0.00 C ATOM 440 CG2 ILE A 31 -14.513 -3.458 -29.795 1.00 0.00 C ATOM 441 CD1 ILE A 31 -17.133 -4.598 -28.845 1.00 0.00 C ATOM 0 H ILE A 31 -17.739 -1.185 -30.408 1.00 0.00 H new ATOM 0 HA ILE A 31 -15.290 -0.875 -29.219 1.00 0.00 H new ATOM 0 HB ILE A 31 -16.228 -3.145 -31.024 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -16.495 -2.735 -28.024 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -17.796 -2.600 -29.190 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -14.663 -4.536 -29.726 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -13.817 -3.239 -30.605 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -14.104 -3.088 -28.855 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -17.861 -4.764 -28.051 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -17.528 -4.981 -29.786 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -16.207 -5.118 -28.602 1.00 0.00 H new ATOM 453 N LYS A 32 -15.063 -1.061 -32.516 1.00 0.00 N ATOM 454 CA LYS A 32 -14.188 -0.796 -33.651 1.00 0.00 C ATOM 455 C LYS A 32 -13.588 0.603 -33.561 1.00 0.00 C ATOM 456 O LYS A 32 -12.478 0.845 -34.034 1.00 0.00 O ATOM 457 CB LYS A 32 -14.960 -0.947 -34.964 1.00 0.00 C ATOM 458 CG LYS A 32 -15.914 0.202 -35.244 1.00 0.00 C ATOM 459 CD LYS A 32 -17.111 -0.254 -36.061 1.00 0.00 C ATOM 460 CE LYS A 32 -17.987 0.921 -36.469 1.00 0.00 C ATOM 461 NZ LYS A 32 -18.028 1.094 -37.948 1.00 0.00 N ATOM 0 H LYS A 32 -16.012 -1.334 -32.771 1.00 0.00 H new ATOM 0 HA LYS A 32 -13.376 -1.523 -33.628 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -14.249 -1.027 -35.787 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -15.524 -1.879 -34.939 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -16.257 0.629 -34.302 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -15.387 0.992 -35.779 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -16.766 -0.779 -36.952 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -17.700 -0.964 -35.481 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -18.999 0.768 -36.093 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -17.610 1.833 -36.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -18.635 1.904 -38.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -17.066 1.265 -38.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -18.412 0.233 -38.388 1.00 0.00 H new ATOM 475 N ASN A 33 -14.328 1.521 -32.948 1.00 0.00 N ATOM 476 CA ASN A 33 -13.868 2.897 -32.794 1.00 0.00 C ATOM 477 C ASN A 33 -12.917 3.023 -31.608 1.00 0.00 C ATOM 478 O ASN A 33 -12.032 3.879 -31.596 1.00 0.00 O ATOM 479 CB ASN A 33 -15.060 3.838 -32.609 1.00 0.00 C ATOM 480 CG ASN A 33 -16.068 3.723 -33.736 1.00 0.00 C ATOM 481 OD1 ASN A 33 -15.790 3.121 -34.773 1.00 0.00 O ATOM 482 ND2 ASN A 33 -17.247 4.301 -33.536 1.00 0.00 N ATOM 0 H ASN A 33 -15.249 1.337 -32.550 1.00 0.00 H new ATOM 0 HA ASN A 33 -13.330 3.177 -33.700 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -15.551 3.616 -31.662 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -14.702 4.866 -32.549 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -17.966 4.256 -34.258 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -17.433 4.790 -32.660 1.00 0.00 H new ATOM 489 N PHE A 34 -13.105 2.163 -30.612 1.00 0.00 N ATOM 490 CA PHE A 34 -12.265 2.178 -29.420 1.00 0.00 C ATOM 491 C PHE A 34 -10.927 1.494 -29.689 1.00 0.00 C ATOM 492 O PHE A 34 -9.923 1.799 -29.048 1.00 0.00 O ATOM 493 CB PHE A 34 -12.979 1.487 -28.258 1.00 0.00 C ATOM 494 CG PHE A 34 -13.901 2.395 -27.495 1.00 0.00 C ATOM 495 CD1 PHE A 34 -14.908 3.087 -28.148 1.00 0.00 C ATOM 496 CD2 PHE A 34 -13.762 2.555 -26.126 1.00 0.00 C ATOM 497 CE1 PHE A 34 -15.758 3.924 -27.449 1.00 0.00 C ATOM 498 CE2 PHE A 34 -14.608 3.391 -25.422 1.00 0.00 C ATOM 499 CZ PHE A 34 -15.608 4.075 -26.084 1.00 0.00 C ATOM 0 H PHE A 34 -13.832 1.447 -30.607 1.00 0.00 H new ATOM 0 HA PHE A 34 -12.075 3.218 -29.153 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -13.551 0.643 -28.644 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -12.234 1.081 -27.574 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -15.030 2.971 -29.215 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -12.983 2.020 -25.603 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -16.538 4.459 -27.970 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -14.487 3.509 -24.355 1.00 0.00 H new ATOM 0 HZ PHE A 34 -16.272 4.727 -25.536 1.00 0.00 H new ATOM 509 N GLU A 35 -10.925 0.568 -30.643 1.00 0.00 N ATOM 510 CA GLU A 35 -9.712 -0.161 -30.995 1.00 0.00 C ATOM 511 C GLU A 35 -8.731 0.743 -31.737 1.00 0.00 C ATOM 512 O GLU A 35 -7.518 0.537 -31.684 1.00 0.00 O ATOM 513 CB GLU A 35 -10.053 -1.377 -31.858 1.00 0.00 C ATOM 514 CG GLU A 35 -9.443 -2.673 -31.352 1.00 0.00 C ATOM 515 CD GLU A 35 -7.929 -2.618 -31.285 1.00 0.00 C ATOM 516 OE1 GLU A 35 -7.295 -2.405 -32.340 1.00 0.00 O ATOM 517 OE2 GLU A 35 -7.378 -2.787 -30.177 1.00 0.00 O ATOM 0 H GLU A 35 -11.748 0.305 -31.185 1.00 0.00 H new ATOM 0 HA GLU A 35 -9.242 -0.500 -30.072 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -11.136 -1.488 -31.902 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -9.709 -1.197 -32.877 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -9.839 -2.894 -30.361 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -9.745 -3.492 -32.005 1.00 0.00 H new ATOM 524 N ARG A 36 -9.265 1.744 -32.429 1.00 0.00 N ATOM 525 CA ARG A 36 -8.438 2.678 -33.183 1.00 0.00 C ATOM 526 C ARG A 36 -8.106 3.910 -32.345 1.00 0.00 C ATOM 527 O ARG A 36 -7.058 4.529 -32.524 1.00 0.00 O ATOM 528 CB ARG A 36 -9.152 3.101 -34.469 1.00 0.00 C ATOM 529 CG ARG A 36 -8.204 3.475 -35.596 1.00 0.00 C ATOM 530 CD ARG A 36 -8.785 4.576 -36.470 1.00 0.00 C ATOM 531 NE ARG A 36 -7.869 4.967 -37.539 1.00 0.00 N ATOM 532 CZ ARG A 36 -6.842 5.791 -37.362 1.00 0.00 C ATOM 533 NH1 ARG A 36 -6.601 6.308 -36.165 1.00 0.00 N ATOM 534 NH2 ARG A 36 -6.054 6.099 -38.384 1.00 0.00 N ATOM 0 H ARG A 36 -10.267 1.929 -32.483 1.00 0.00 H new ATOM 0 HA ARG A 36 -7.507 2.173 -33.441 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -9.796 2.287 -34.802 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -9.799 3.951 -34.253 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -7.253 3.804 -35.178 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -7.997 2.596 -36.206 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -9.725 4.236 -36.904 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -9.015 5.445 -35.853 1.00 0.00 H new ATOM 0 HE ARG A 36 -8.027 4.587 -38.472 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -7.205 6.073 -35.377 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -5.812 6.940 -36.032 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -6.237 5.703 -39.306 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -5.266 6.732 -38.248 1.00 0.00 H new ATOM 548 N GLU A 37 -9.007 4.258 -31.432 1.00 0.00 N ATOM 549 CA GLU A 37 -8.810 5.416 -30.568 1.00 0.00 C ATOM 550 C GLU A 37 -7.892 5.072 -29.398 1.00 0.00 C ATOM 551 O GLU A 37 -7.289 5.954 -28.786 1.00 0.00 O ATOM 552 CB GLU A 37 -10.154 5.924 -30.043 1.00 0.00 C ATOM 553 CG GLU A 37 -10.771 7.014 -30.903 1.00 0.00 C ATOM 554 CD GLU A 37 -10.940 8.322 -30.155 1.00 0.00 C ATOM 555 OE1 GLU A 37 -11.986 8.498 -29.497 1.00 0.00 O ATOM 556 OE2 GLU A 37 -10.025 9.169 -30.228 1.00 0.00 O ATOM 0 H GLU A 37 -9.880 3.755 -31.272 1.00 0.00 H new ATOM 0 HA GLU A 37 -8.339 6.201 -31.159 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -10.849 5.087 -29.978 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -10.019 6.305 -29.031 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -10.144 7.179 -31.779 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -11.743 6.679 -31.266 1.00 0.00 H new ATOM 563 N LYS A 38 -7.792 3.783 -29.092 1.00 0.00 N ATOM 564 CA LYS A 38 -6.948 3.319 -27.997 1.00 0.00 C ATOM 565 C LYS A 38 -7.406 3.913 -26.668 1.00 0.00 C ATOM 566 O LYS A 38 -6.588 4.363 -25.864 1.00 0.00 O ATOM 567 CB LYS A 38 -5.487 3.692 -28.258 1.00 0.00 C ATOM 568 CG LYS A 38 -4.995 3.292 -29.638 1.00 0.00 C ATOM 569 CD LYS A 38 -5.011 1.784 -29.821 1.00 0.00 C ATOM 570 CE LYS A 38 -4.083 1.349 -30.944 1.00 0.00 C ATOM 571 NZ LYS A 38 -4.630 1.701 -32.284 1.00 0.00 N ATOM 0 H LYS A 38 -8.285 3.040 -29.587 1.00 0.00 H new ATOM 0 HA LYS A 38 -7.035 2.234 -27.939 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -5.368 4.769 -28.137 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -4.859 3.216 -27.505 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -5.622 3.758 -30.398 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -3.982 3.667 -29.787 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -4.711 1.300 -28.891 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -6.027 1.454 -30.038 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -3.109 1.821 -30.814 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -3.925 0.272 -30.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -4.080 1.216 -33.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -5.625 1.404 -32.342 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -4.567 2.729 -32.425 1.00 0.00 H new ATOM 585 N ILE A 39 -8.716 3.911 -26.444 1.00 0.00 N ATOM 586 CA ILE A 39 -9.280 4.448 -25.212 1.00 0.00 C ATOM 587 C ILE A 39 -8.743 3.706 -23.993 1.00 0.00 C ATOM 588 O ILE A 39 -9.066 2.539 -23.771 1.00 0.00 O ATOM 589 CB ILE A 39 -10.818 4.363 -25.214 1.00 0.00 C ATOM 590 CG1 ILE A 39 -11.391 5.127 -26.409 1.00 0.00 C ATOM 591 CG2 ILE A 39 -11.380 4.910 -23.910 1.00 0.00 C ATOM 592 CD1 ILE A 39 -10.988 6.584 -26.445 1.00 0.00 C ATOM 0 H ILE A 39 -9.406 3.544 -27.099 1.00 0.00 H new ATOM 0 HA ILE A 39 -8.982 5.495 -25.158 1.00 0.00 H new ATOM 0 HB ILE A 39 -11.109 3.316 -25.302 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -11.062 4.645 -27.330 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -12.479 5.060 -26.385 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -12.468 4.843 -23.926 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -10.993 4.327 -23.074 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -11.082 5.952 -23.794 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -11.430 7.062 -27.319 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -11.341 7.081 -25.541 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -9.902 6.660 -26.501 1.00 0.00 H new ATOM 604 N SER A 40 -7.923 4.393 -23.204 1.00 0.00 N ATOM 605 CA SER A 40 -7.338 3.799 -22.007 1.00 0.00 C ATOM 606 C SER A 40 -8.315 3.862 -20.837 1.00 0.00 C ATOM 607 O SER A 40 -9.299 4.600 -20.873 1.00 0.00 O ATOM 608 CB SER A 40 -6.038 4.516 -21.639 1.00 0.00 C ATOM 609 OG SER A 40 -6.284 5.601 -20.762 1.00 0.00 O ATOM 0 H SER A 40 -7.649 5.361 -23.372 1.00 0.00 H new ATOM 0 HA SER A 40 -7.120 2.753 -22.220 1.00 0.00 H new ATOM 0 HB2 SER A 40 -5.352 3.812 -21.168 1.00 0.00 H new ATOM 0 HB3 SER A 40 -5.551 4.879 -22.544 1.00 0.00 H new ATOM 0 HG SER A 40 -5.437 6.041 -20.541 1.00 0.00 H new ATOM 615 N GLY A 41 -8.036 3.080 -19.798 1.00 0.00 N ATOM 616 CA GLY A 41 -8.899 3.061 -18.631 1.00 0.00 C ATOM 617 C GLY A 41 -8.996 4.417 -17.959 1.00 0.00 C ATOM 618 O GLY A 41 -10.081 4.848 -17.570 1.00 0.00 O ATOM 0 H GLY A 41 -7.228 2.460 -19.744 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -9.896 2.733 -18.925 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -8.521 2.331 -17.916 1.00 0.00 H new ATOM 622 N ASP A 42 -7.859 5.089 -17.821 1.00 0.00 N ATOM 623 CA ASP A 42 -7.820 6.404 -17.191 1.00 0.00 C ATOM 624 C ASP A 42 -8.838 7.343 -17.830 1.00 0.00 C ATOM 625 O ASP A 42 -9.364 8.241 -17.174 1.00 0.00 O ATOM 626 CB ASP A 42 -6.417 7.003 -17.299 1.00 0.00 C ATOM 627 CG ASP A 42 -6.147 8.042 -16.228 1.00 0.00 C ATOM 628 OD1 ASP A 42 -6.741 9.139 -16.302 1.00 0.00 O ATOM 629 OD2 ASP A 42 -5.343 7.758 -15.316 1.00 0.00 O ATOM 0 H ASP A 42 -6.952 4.745 -18.137 1.00 0.00 H new ATOM 0 HA ASP A 42 -8.075 6.283 -16.138 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -5.678 6.206 -17.222 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -6.294 7.458 -18.282 1.00 0.00 H new ATOM 634 N GLN A 43 -9.109 7.129 -19.113 1.00 0.00 N ATOM 635 CA GLN A 43 -10.063 7.958 -19.841 1.00 0.00 C ATOM 636 C GLN A 43 -11.466 7.364 -19.770 1.00 0.00 C ATOM 637 O GLN A 43 -12.461 8.081 -19.876 1.00 0.00 O ATOM 638 CB GLN A 43 -9.632 8.107 -21.301 1.00 0.00 C ATOM 639 CG GLN A 43 -8.558 9.161 -21.514 1.00 0.00 C ATOM 640 CD GLN A 43 -8.556 9.716 -22.925 1.00 0.00 C ATOM 641 OE1 GLN A 43 -9.116 10.781 -23.186 1.00 0.00 O ATOM 642 NE2 GLN A 43 -7.925 8.995 -23.844 1.00 0.00 N ATOM 0 H GLN A 43 -8.682 6.389 -19.670 1.00 0.00 H new ATOM 0 HA GLN A 43 -10.081 8.942 -19.373 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -9.264 7.147 -21.662 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -10.504 8.361 -21.904 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -8.710 9.977 -20.807 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -7.582 8.728 -21.297 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -7.474 8.118 -23.583 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -7.891 9.318 -24.811 1.00 0.00 H new ATOM 651 N LEU A 44 -11.537 6.050 -19.590 1.00 0.00 N ATOM 652 CA LEU A 44 -12.819 5.358 -19.506 1.00 0.00 C ATOM 653 C LEU A 44 -13.496 5.628 -18.166 1.00 0.00 C ATOM 654 O LEU A 44 -14.704 5.863 -18.105 1.00 0.00 O ATOM 655 CB LEU A 44 -12.622 3.853 -19.696 1.00 0.00 C ATOM 656 CG LEU A 44 -13.877 2.989 -19.560 1.00 0.00 C ATOM 657 CD1 LEU A 44 -14.687 3.018 -20.846 1.00 0.00 C ATOM 658 CD2 LEU A 44 -13.503 1.560 -19.195 1.00 0.00 C ATOM 0 H LEU A 44 -10.723 5.442 -19.499 1.00 0.00 H new ATOM 0 HA LEU A 44 -13.462 5.737 -20.301 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -12.195 3.685 -20.685 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -11.887 3.508 -18.968 1.00 0.00 H new ATOM 0 HG LEU A 44 -14.492 3.399 -18.759 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -15.576 2.398 -20.730 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -14.986 4.043 -21.065 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -14.081 2.634 -21.666 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -14.408 0.959 -19.102 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -12.867 1.140 -19.974 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -12.966 1.555 -18.247 1.00 0.00 H new ATOM 670 N LEU A 45 -12.711 5.596 -17.095 1.00 0.00 N ATOM 671 CA LEU A 45 -13.234 5.840 -15.755 1.00 0.00 C ATOM 672 C LEU A 45 -13.834 7.238 -15.651 1.00 0.00 C ATOM 673 O LEU A 45 -14.750 7.474 -14.863 1.00 0.00 O ATOM 674 CB LEU A 45 -12.126 5.669 -14.715 1.00 0.00 C ATOM 675 CG LEU A 45 -11.784 4.230 -14.328 1.00 0.00 C ATOM 676 CD1 LEU A 45 -10.313 4.111 -13.962 1.00 0.00 C ATOM 677 CD2 LEU A 45 -12.662 3.764 -13.176 1.00 0.00 C ATOM 0 H LEU A 45 -11.710 5.403 -17.128 1.00 0.00 H new ATOM 0 HA LEU A 45 -14.021 5.112 -15.561 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -11.223 6.146 -15.094 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -12.416 6.207 -13.813 1.00 0.00 H new ATOM 0 HG LEU A 45 -11.976 3.588 -15.187 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -10.088 3.080 -13.689 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -9.701 4.402 -14.816 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -10.094 4.765 -13.118 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -12.404 2.738 -12.914 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -12.502 4.410 -12.313 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -13.709 3.810 -13.475 1.00 0.00 H new ATOM 689 N ARG A 46 -13.313 8.161 -16.453 1.00 0.00 N ATOM 690 CA ARG A 46 -13.798 9.536 -16.452 1.00 0.00 C ATOM 691 C ARG A 46 -14.323 9.928 -17.830 1.00 0.00 C ATOM 692 O ARG A 46 -14.245 11.091 -18.226 1.00 0.00 O ATOM 693 CB ARG A 46 -12.682 10.493 -16.028 1.00 0.00 C ATOM 694 CG ARG A 46 -11.490 10.494 -16.972 1.00 0.00 C ATOM 695 CD ARG A 46 -10.206 10.867 -16.248 1.00 0.00 C ATOM 696 NE ARG A 46 -10.246 12.233 -15.731 1.00 0.00 N ATOM 697 CZ ARG A 46 -10.022 13.308 -16.478 1.00 0.00 C ATOM 698 NH1 ARG A 46 -9.744 13.177 -17.768 1.00 0.00 N ATOM 699 NH2 ARG A 46 -10.076 14.517 -15.935 1.00 0.00 N ATOM 0 H ARG A 46 -12.555 7.982 -17.112 1.00 0.00 H new ATOM 0 HA ARG A 46 -14.618 9.605 -15.737 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -13.086 11.503 -15.965 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -12.343 10.222 -15.028 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -11.381 9.508 -17.423 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -11.669 11.198 -17.784 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -10.039 10.173 -15.425 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -9.362 10.762 -16.930 1.00 0.00 H new ATOM 0 HE ARG A 46 -10.458 12.368 -14.742 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -9.702 12.249 -18.189 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -9.572 14.004 -18.339 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -10.290 14.622 -14.943 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -9.904 15.342 -16.509 1.00 0.00 H new ATOM 713 N ILE A 47 -14.857 8.951 -18.554 1.00 0.00 N ATOM 714 CA ILE A 47 -15.396 9.194 -19.886 1.00 0.00 C ATOM 715 C ILE A 47 -16.679 10.014 -19.819 1.00 0.00 C ATOM 716 O ILE A 47 -17.604 9.682 -19.077 1.00 0.00 O ATOM 717 CB ILE A 47 -15.681 7.875 -20.628 1.00 0.00 C ATOM 718 CG1 ILE A 47 -16.186 8.160 -22.044 1.00 0.00 C ATOM 719 CG2 ILE A 47 -16.692 7.041 -19.856 1.00 0.00 C ATOM 720 CD1 ILE A 47 -15.295 7.596 -23.128 1.00 0.00 C ATOM 0 H ILE A 47 -14.928 7.983 -18.240 1.00 0.00 H new ATOM 0 HA ILE A 47 -14.639 9.753 -20.435 1.00 0.00 H new ATOM 0 HB ILE A 47 -14.753 7.308 -20.701 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -17.187 7.744 -22.155 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -16.272 9.238 -22.180 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -16.883 6.112 -20.393 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -16.296 6.813 -18.866 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -17.623 7.599 -19.755 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -15.714 7.836 -24.105 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -14.299 8.031 -23.044 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -15.228 6.514 -23.018 1.00 0.00 H new ATOM 732 N THR A 48 -16.731 11.088 -20.601 1.00 0.00 N ATOM 733 CA THR A 48 -17.901 11.956 -20.632 1.00 0.00 C ATOM 734 C THR A 48 -18.598 11.892 -21.986 1.00 0.00 C ATOM 735 O THR A 48 -18.055 11.351 -22.950 1.00 0.00 O ATOM 736 CB THR A 48 -17.524 13.419 -20.330 1.00 0.00 C ATOM 737 OG1 THR A 48 -18.708 14.212 -20.192 1.00 0.00 O ATOM 738 CG2 THR A 48 -16.651 13.991 -21.437 1.00 0.00 C ATOM 0 H THR A 48 -15.975 11.377 -21.222 1.00 0.00 H new ATOM 0 HA THR A 48 -18.581 11.597 -19.859 1.00 0.00 H new ATOM 0 HB THR A 48 -16.962 13.441 -19.396 1.00 0.00 H new ATOM 0 HG1 THR A 48 -18.459 15.140 -19.998 1.00 0.00 H new ATOM 0 HG21 THR A 48 -16.397 15.025 -21.203 1.00 0.00 H new ATOM 0 HG22 THR A 48 -15.737 13.403 -21.520 1.00 0.00 H new ATOM 0 HG23 THR A 48 -17.193 13.956 -22.382 1.00 0.00 H new ATOM 746 N HIS A 49 -19.804 12.447 -22.052 1.00 0.00 N ATOM 747 CA HIS A 49 -20.576 12.454 -23.290 1.00 0.00 C ATOM 748 C HIS A 49 -19.746 13.010 -24.444 1.00 0.00 C ATOM 749 O HIS A 49 -19.737 12.450 -25.540 1.00 0.00 O ATOM 750 CB HIS A 49 -21.850 13.281 -23.118 1.00 0.00 C ATOM 751 CG HIS A 49 -22.939 12.557 -22.387 1.00 0.00 C ATOM 752 ND1 HIS A 49 -23.585 11.404 -22.676 1.00 0.00 N flip ATOM 753 CD2 HIS A 49 -23.484 13.014 -21.206 1.00 0.00 C flip ATOM 754 CE1 HIS A 49 -24.499 11.186 -21.675 1.00 0.00 C flip ATOM 755 NE2 HIS A 49 -24.418 12.172 -20.799 1.00 0.00 N flip ATOM 0 H HIS A 49 -20.268 12.898 -21.263 1.00 0.00 H new ATOM 0 HA HIS A 49 -20.850 11.425 -23.524 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -21.609 14.197 -22.579 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -22.217 13.576 -24.101 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -23.193 13.919 -20.693 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -25.174 10.345 -21.614 1.00 0.00 H new ATOM 0 HE2 HIS A 49 -24.980 12.267 -19.953 1.00 0.00 H new ATOM 763 N GLN A 50 -19.053 14.114 -24.189 1.00 0.00 N ATOM 764 CA GLN A 50 -18.222 14.747 -25.207 1.00 0.00 C ATOM 765 C GLN A 50 -17.204 13.760 -25.769 1.00 0.00 C ATOM 766 O GLN A 50 -16.926 13.756 -26.968 1.00 0.00 O ATOM 767 CB GLN A 50 -17.503 15.964 -24.625 1.00 0.00 C ATOM 768 CG GLN A 50 -17.821 17.263 -25.349 1.00 0.00 C ATOM 769 CD GLN A 50 -17.072 18.449 -24.775 1.00 0.00 C ATOM 770 OE1 GLN A 50 -15.856 18.400 -24.591 1.00 0.00 O ATOM 771 NE2 GLN A 50 -17.797 19.525 -24.488 1.00 0.00 N ATOM 0 H GLN A 50 -19.050 14.589 -23.287 1.00 0.00 H new ATOM 0 HA GLN A 50 -18.872 15.073 -26.019 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -17.774 16.068 -23.574 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -16.427 15.792 -24.661 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -17.571 17.157 -26.405 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -18.893 17.453 -25.293 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -18.803 19.522 -24.657 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -17.348 20.354 -24.099 1.00 0.00 H new ATOM 780 N GLU A 51 -16.651 12.925 -24.894 1.00 0.00 N ATOM 781 CA GLU A 51 -15.663 11.935 -25.304 1.00 0.00 C ATOM 782 C GLU A 51 -16.303 10.852 -26.168 1.00 0.00 C ATOM 783 O GLU A 51 -15.772 10.483 -27.216 1.00 0.00 O ATOM 784 CB GLU A 51 -15.004 11.301 -24.077 1.00 0.00 C ATOM 785 CG GLU A 51 -13.977 12.197 -23.407 1.00 0.00 C ATOM 786 CD GLU A 51 -12.568 11.948 -23.911 1.00 0.00 C ATOM 787 OE1 GLU A 51 -12.277 12.323 -25.066 1.00 0.00 O ATOM 788 OE2 GLU A 51 -11.757 11.379 -23.151 1.00 0.00 O ATOM 0 H GLU A 51 -16.871 12.915 -23.898 1.00 0.00 H new ATOM 0 HA GLU A 51 -14.901 12.443 -25.895 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -15.777 11.043 -23.353 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -14.522 10.370 -24.374 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -14.242 13.240 -23.581 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -14.007 12.036 -22.329 1.00 0.00 H new ATOM 795 N LEU A 52 -17.447 10.346 -25.720 1.00 0.00 N ATOM 796 CA LEU A 52 -18.161 9.305 -26.450 1.00 0.00 C ATOM 797 C LEU A 52 -18.588 9.801 -27.828 1.00 0.00 C ATOM 798 O LEU A 52 -18.490 9.076 -28.817 1.00 0.00 O ATOM 799 CB LEU A 52 -19.387 8.848 -25.658 1.00 0.00 C ATOM 800 CG LEU A 52 -19.132 7.802 -24.572 1.00 0.00 C ATOM 801 CD1 LEU A 52 -20.185 7.900 -23.479 1.00 0.00 C ATOM 802 CD2 LEU A 52 -19.113 6.403 -25.172 1.00 0.00 C ATOM 0 H LEU A 52 -17.900 10.640 -24.855 1.00 0.00 H new ATOM 0 HA LEU A 52 -17.485 8.460 -26.581 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -19.841 9.723 -25.193 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -20.118 8.444 -26.359 1.00 0.00 H new ATOM 0 HG LEU A 52 -18.156 7.999 -24.128 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -19.987 7.148 -22.715 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -20.151 8.892 -23.029 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -21.172 7.730 -23.909 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -18.930 5.672 -24.385 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -20.074 6.196 -25.643 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -18.321 6.338 -25.918 1.00 0.00 H new ATOM 814 N GLU A 53 -19.061 11.042 -27.884 1.00 0.00 N ATOM 815 CA GLU A 53 -19.502 11.636 -29.141 1.00 0.00 C ATOM 816 C GLU A 53 -18.396 11.571 -30.190 1.00 0.00 C ATOM 817 O GLU A 53 -18.647 11.257 -31.354 1.00 0.00 O ATOM 818 CB GLU A 53 -19.929 13.089 -28.923 1.00 0.00 C ATOM 819 CG GLU A 53 -21.249 13.442 -29.588 1.00 0.00 C ATOM 820 CD GLU A 53 -21.565 14.922 -29.507 1.00 0.00 C ATOM 821 OE1 GLU A 53 -21.259 15.539 -28.465 1.00 0.00 O ATOM 822 OE2 GLU A 53 -22.118 15.465 -30.486 1.00 0.00 O ATOM 0 H GLU A 53 -19.149 11.656 -27.074 1.00 0.00 H new ATOM 0 HA GLU A 53 -20.357 11.065 -29.503 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -20.009 13.279 -27.853 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -19.151 13.749 -29.306 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -21.217 13.138 -30.634 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -22.052 12.876 -29.116 1.00 0.00 H new ATOM 829 N ASP A 54 -17.172 11.870 -29.770 1.00 0.00 N ATOM 830 CA ASP A 54 -16.026 11.846 -30.672 1.00 0.00 C ATOM 831 C ASP A 54 -15.880 10.476 -31.328 1.00 0.00 C ATOM 832 O ASP A 54 -15.735 10.372 -32.546 1.00 0.00 O ATOM 833 CB ASP A 54 -14.746 12.202 -29.915 1.00 0.00 C ATOM 834 CG ASP A 54 -13.662 12.736 -30.830 1.00 0.00 C ATOM 835 OD1 ASP A 54 -13.984 13.111 -31.977 1.00 0.00 O ATOM 836 OD2 ASP A 54 -12.491 12.780 -30.399 1.00 0.00 O ATOM 0 H ASP A 54 -16.947 12.132 -28.810 1.00 0.00 H new ATOM 0 HA ASP A 54 -16.194 12.587 -31.453 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -14.974 12.947 -29.153 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -14.376 11.318 -29.396 1.00 0.00 H new ATOM 841 N LEU A 55 -15.918 9.428 -30.512 1.00 0.00 N ATOM 842 CA LEU A 55 -15.789 8.064 -31.012 1.00 0.00 C ATOM 843 C LEU A 55 -16.867 7.759 -32.047 1.00 0.00 C ATOM 844 O LEU A 55 -16.657 6.963 -32.961 1.00 0.00 O ATOM 845 CB LEU A 55 -15.878 7.066 -29.856 1.00 0.00 C ATOM 846 CG LEU A 55 -14.775 7.159 -28.802 1.00 0.00 C ATOM 847 CD1 LEU A 55 -15.367 7.102 -27.403 1.00 0.00 C ATOM 848 CD2 LEU A 55 -13.755 6.046 -28.997 1.00 0.00 C ATOM 0 H LEU A 55 -16.037 9.497 -29.501 1.00 0.00 H new ATOM 0 HA LEU A 55 -14.815 7.969 -31.491 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -16.839 7.200 -29.360 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -15.872 6.058 -30.271 1.00 0.00 H new ATOM 0 HG LEU A 55 -14.266 8.116 -28.920 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -14.567 7.170 -26.666 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -16.058 7.934 -27.266 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -15.902 6.161 -27.272 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -12.977 6.128 -28.238 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -14.250 5.079 -28.907 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -13.306 6.133 -29.987 1.00 0.00 H new ATOM 860 N GLY A 56 -18.022 8.401 -31.898 1.00 0.00 N ATOM 861 CA GLY A 56 -19.115 8.187 -32.828 1.00 0.00 C ATOM 862 C GLY A 56 -20.443 7.989 -32.126 1.00 0.00 C ATOM 863 O GLY A 56 -21.504 8.146 -32.731 1.00 0.00 O ATOM 0 H GLY A 56 -18.220 9.065 -31.150 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -19.187 9.041 -33.501 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -18.899 7.313 -33.443 1.00 0.00 H new ATOM 867 N VAL A 57 -20.387 7.640 -30.844 1.00 0.00 N ATOM 868 CA VAL A 57 -21.595 7.420 -30.058 1.00 0.00 C ATOM 869 C VAL A 57 -22.425 8.695 -29.955 1.00 0.00 C ATOM 870 O VAL A 57 -22.194 9.529 -29.080 1.00 0.00 O ATOM 871 CB VAL A 57 -21.259 6.923 -28.639 1.00 0.00 C ATOM 872 CG1 VAL A 57 -22.526 6.517 -27.902 1.00 0.00 C ATOM 873 CG2 VAL A 57 -20.273 5.766 -28.700 1.00 0.00 C ATOM 0 H VAL A 57 -19.518 7.504 -30.328 1.00 0.00 H new ATOM 0 HA VAL A 57 -22.174 6.655 -30.576 1.00 0.00 H new ATOM 0 HB VAL A 57 -20.792 7.739 -28.087 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -22.269 6.169 -26.902 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -23.194 7.375 -27.827 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -23.024 5.716 -28.448 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -20.047 5.427 -27.689 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -20.710 4.945 -29.268 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -19.355 6.096 -29.186 1.00 0.00 H new ATOM 883 N SER A 58 -23.392 8.839 -30.856 1.00 0.00 N ATOM 884 CA SER A 58 -24.255 10.015 -30.869 1.00 0.00 C ATOM 885 C SER A 58 -25.540 9.754 -30.090 1.00 0.00 C ATOM 886 O SER A 58 -26.161 10.679 -29.567 1.00 0.00 O ATOM 887 CB SER A 58 -24.588 10.412 -32.308 1.00 0.00 C ATOM 888 OG SER A 58 -24.010 11.663 -32.638 1.00 0.00 O ATOM 0 H SER A 58 -23.597 8.157 -31.586 1.00 0.00 H new ATOM 0 HA SER A 58 -23.720 10.834 -30.388 1.00 0.00 H new ATOM 0 HB2 SER A 58 -24.223 9.647 -32.993 1.00 0.00 H new ATOM 0 HB3 SER A 58 -25.670 10.463 -32.434 1.00 0.00 H new ATOM 0 HG SER A 58 -24.236 11.894 -33.563 1.00 0.00 H new ATOM 894 N ARG A 59 -25.934 8.486 -30.018 1.00 0.00 N ATOM 895 CA ARG A 59 -27.146 8.102 -29.304 1.00 0.00 C ATOM 896 C ARG A 59 -27.063 8.505 -27.835 1.00 0.00 C ATOM 897 O ARG A 59 -25.986 8.822 -27.328 1.00 0.00 O ATOM 898 CB ARG A 59 -27.374 6.594 -29.418 1.00 0.00 C ATOM 899 CG ARG A 59 -28.301 6.202 -30.557 1.00 0.00 C ATOM 900 CD ARG A 59 -29.757 6.210 -30.119 1.00 0.00 C ATOM 901 NE ARG A 59 -30.472 7.383 -30.616 1.00 0.00 N ATOM 902 CZ ARG A 59 -31.795 7.448 -30.718 1.00 0.00 C ATOM 903 NH1 ARG A 59 -32.542 6.413 -30.360 1.00 0.00 N ATOM 904 NH2 ARG A 59 -32.372 8.549 -31.180 1.00 0.00 N ATOM 0 H ARG A 59 -25.432 7.708 -30.445 1.00 0.00 H new ATOM 0 HA ARG A 59 -27.987 8.625 -29.759 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -26.413 6.099 -29.557 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -27.789 6.226 -28.480 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -28.167 6.892 -31.390 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -28.034 5.209 -30.919 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -30.249 5.306 -30.479 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -29.808 6.189 -29.030 1.00 0.00 H new ATOM 0 HE ARG A 59 -29.926 8.196 -30.900 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -32.101 5.564 -30.005 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -33.558 6.465 -30.439 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -31.800 9.347 -31.457 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -33.388 8.598 -31.258 1.00 0.00 H new ATOM 918 N ILE A 60 -28.205 8.491 -27.157 1.00 0.00 N ATOM 919 CA ILE A 60 -28.261 8.854 -25.747 1.00 0.00 C ATOM 920 C ILE A 60 -28.311 7.614 -24.861 1.00 0.00 C ATOM 921 O ILE A 60 -27.496 7.453 -23.954 1.00 0.00 O ATOM 922 CB ILE A 60 -29.484 9.739 -25.441 1.00 0.00 C ATOM 923 CG1 ILE A 60 -29.446 11.011 -26.291 1.00 0.00 C ATOM 924 CG2 ILE A 60 -29.530 10.087 -23.961 1.00 0.00 C ATOM 925 CD1 ILE A 60 -28.238 11.880 -26.025 1.00 0.00 C ATOM 0 H ILE A 60 -29.105 8.232 -27.562 1.00 0.00 H new ATOM 0 HA ILE A 60 -27.353 9.416 -25.530 1.00 0.00 H new ATOM 0 HB ILE A 60 -30.387 9.183 -25.692 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -29.459 10.734 -27.345 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -30.349 11.591 -26.103 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -30.400 10.713 -23.761 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -29.599 9.171 -23.374 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -28.624 10.627 -23.686 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -28.278 12.763 -26.663 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -28.234 12.187 -24.979 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -27.330 11.317 -26.241 1.00 0.00 H new ATOM 937 N GLY A 61 -29.274 6.738 -25.133 1.00 0.00 N ATOM 938 CA GLY A 61 -29.411 5.522 -24.353 1.00 0.00 C ATOM 939 C GLY A 61 -28.161 4.665 -24.390 1.00 0.00 C ATOM 940 O GLY A 61 -27.930 3.853 -23.493 1.00 0.00 O ATOM 0 H GLY A 61 -29.961 6.849 -25.879 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -29.640 5.781 -23.319 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -30.255 4.945 -24.731 1.00 0.00 H new ATOM 944 N HIS A 62 -27.353 4.844 -25.430 1.00 0.00 N ATOM 945 CA HIS A 62 -26.120 4.080 -25.580 1.00 0.00 C ATOM 946 C HIS A 62 -24.991 4.704 -24.766 1.00 0.00 C ATOM 947 O HIS A 62 -24.227 3.999 -24.107 1.00 0.00 O ATOM 948 CB HIS A 62 -25.719 4.004 -27.054 1.00 0.00 C ATOM 949 CG HIS A 62 -26.739 3.327 -27.918 1.00 0.00 C ATOM 950 ND1 HIS A 62 -26.839 3.545 -29.275 1.00 0.00 N ATOM 951 CD2 HIS A 62 -27.705 2.430 -27.610 1.00 0.00 C ATOM 952 CE1 HIS A 62 -27.824 2.814 -29.765 1.00 0.00 C ATOM 953 NE2 HIS A 62 -28.366 2.128 -28.775 1.00 0.00 N ATOM 0 H HIS A 62 -27.530 5.511 -26.181 1.00 0.00 H new ATOM 0 HA HIS A 62 -26.299 3.072 -25.207 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -25.550 5.014 -27.429 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -24.772 3.470 -27.137 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -27.916 2.027 -26.631 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -28.134 2.783 -30.799 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -29.148 1.479 -28.862 1.00 0.00 H new ATOM 961 N GLN A 63 -24.893 6.028 -24.816 1.00 0.00 N ATOM 962 CA GLN A 63 -23.857 6.746 -24.084 1.00 0.00 C ATOM 963 C GLN A 63 -23.939 6.447 -22.591 1.00 0.00 C ATOM 964 O GLN A 63 -22.919 6.376 -21.906 1.00 0.00 O ATOM 965 CB GLN A 63 -23.983 8.252 -24.323 1.00 0.00 C ATOM 966 CG GLN A 63 -23.494 8.694 -25.692 1.00 0.00 C ATOM 967 CD GLN A 63 -23.776 10.158 -25.968 1.00 0.00 C ATOM 968 OE1 GLN A 63 -24.806 10.692 -25.555 1.00 0.00 O ATOM 969 NE2 GLN A 63 -22.860 10.815 -26.669 1.00 0.00 N ATOM 0 H GLN A 63 -25.519 6.626 -25.356 1.00 0.00 H new ATOM 0 HA GLN A 63 -22.888 6.408 -24.451 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -25.027 8.544 -24.208 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -23.418 8.782 -23.556 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -22.421 8.514 -25.766 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -23.973 8.085 -26.459 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -22.021 10.332 -26.991 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -22.995 11.803 -26.885 1.00 0.00 H new ATOM 978 N GLU A 64 -25.160 6.274 -22.093 1.00 0.00 N ATOM 979 CA GLU A 64 -25.374 5.984 -20.681 1.00 0.00 C ATOM 980 C GLU A 64 -25.169 4.499 -20.393 1.00 0.00 C ATOM 981 O GLU A 64 -24.737 4.120 -19.304 1.00 0.00 O ATOM 982 CB GLU A 64 -26.782 6.407 -20.258 1.00 0.00 C ATOM 983 CG GLU A 64 -26.899 7.885 -19.925 1.00 0.00 C ATOM 984 CD GLU A 64 -27.122 8.134 -18.446 1.00 0.00 C ATOM 985 OE1 GLU A 64 -28.281 8.024 -17.993 1.00 0.00 O ATOM 986 OE2 GLU A 64 -26.137 8.438 -17.741 1.00 0.00 O ATOM 0 H GLU A 64 -26.015 6.330 -22.647 1.00 0.00 H new ATOM 0 HA GLU A 64 -24.643 6.552 -20.105 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -27.481 6.167 -21.060 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -27.082 5.822 -19.388 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -25.992 8.398 -20.243 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -27.725 8.317 -20.491 1.00 0.00 H new ATOM 993 N LEU A 65 -25.484 3.663 -21.376 1.00 0.00 N ATOM 994 CA LEU A 65 -25.336 2.219 -21.230 1.00 0.00 C ATOM 995 C LEU A 65 -23.933 1.862 -20.752 1.00 0.00 C ATOM 996 O LEU A 65 -23.766 1.191 -19.732 1.00 0.00 O ATOM 997 CB LEU A 65 -25.628 1.520 -22.558 1.00 0.00 C ATOM 998 CG LEU A 65 -27.021 0.905 -22.701 1.00 0.00 C ATOM 999 CD1 LEU A 65 -27.203 0.312 -24.090 1.00 0.00 C ATOM 1000 CD2 LEU A 65 -27.249 -0.154 -21.633 1.00 0.00 C ATOM 0 H LEU A 65 -25.844 3.960 -22.283 1.00 0.00 H new ATOM 0 HA LEU A 65 -26.052 1.878 -20.482 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -25.486 2.240 -23.364 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -24.888 0.732 -22.701 1.00 0.00 H new ATOM 0 HG LEU A 65 -27.761 1.694 -22.565 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -28.200 -0.121 -24.173 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -27.084 1.095 -24.839 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -26.456 -0.464 -24.255 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -28.245 -0.581 -21.750 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -26.503 -0.942 -21.736 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -27.163 0.300 -20.646 1.00 0.00 H new ATOM 1012 N ILE A 66 -22.927 2.315 -21.493 1.00 0.00 N ATOM 1013 CA ILE A 66 -21.538 2.046 -21.142 1.00 0.00 C ATOM 1014 C ILE A 66 -21.214 2.563 -19.745 1.00 0.00 C ATOM 1015 O ILE A 66 -20.700 1.827 -18.902 1.00 0.00 O ATOM 1016 CB ILE A 66 -20.568 2.686 -22.153 1.00 0.00 C ATOM 1017 CG1 ILE A 66 -20.895 2.219 -23.573 1.00 0.00 C ATOM 1018 CG2 ILE A 66 -19.129 2.344 -21.795 1.00 0.00 C ATOM 1019 CD1 ILE A 66 -21.167 3.354 -24.534 1.00 0.00 C ATOM 0 H ILE A 66 -23.048 2.870 -22.340 1.00 0.00 H new ATOM 0 HA ILE A 66 -21.411 0.964 -21.164 1.00 0.00 H new ATOM 0 HB ILE A 66 -20.685 3.769 -22.111 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -20.064 1.624 -23.952 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -21.766 1.565 -23.540 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -18.455 2.803 -22.518 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -18.903 2.721 -20.798 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -18.997 1.262 -21.812 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -21.391 2.949 -25.521 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -22.017 3.936 -24.178 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -20.289 3.996 -24.596 1.00 0.00 H new ATOM 1031 N LEU A 67 -21.518 3.834 -19.505 1.00 0.00 N ATOM 1032 CA LEU A 67 -21.261 4.451 -18.209 1.00 0.00 C ATOM 1033 C LEU A 67 -21.852 3.613 -17.080 1.00 0.00 C ATOM 1034 O LEU A 67 -21.176 3.314 -16.096 1.00 0.00 O ATOM 1035 CB LEU A 67 -21.845 5.864 -18.170 1.00 0.00 C ATOM 1036 CG LEU A 67 -21.322 6.836 -19.228 1.00 0.00 C ATOM 1037 CD1 LEU A 67 -22.192 8.081 -19.286 1.00 0.00 C ATOM 1038 CD2 LEU A 67 -19.874 7.207 -18.942 1.00 0.00 C ATOM 0 H LEU A 67 -21.943 4.457 -20.192 1.00 0.00 H new ATOM 0 HA LEU A 67 -20.182 4.507 -18.069 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -22.927 5.791 -18.276 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -21.649 6.290 -17.186 1.00 0.00 H new ATOM 0 HG LEU A 67 -21.365 6.343 -20.199 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -21.804 8.761 -20.045 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -23.214 7.799 -19.540 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -22.183 8.577 -18.315 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -19.518 7.899 -19.705 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -19.806 7.680 -17.962 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -19.259 6.307 -18.953 1.00 0.00 H new ATOM 1050 N GLU A 68 -23.118 3.235 -17.231 1.00 0.00 N ATOM 1051 CA GLU A 68 -23.799 2.430 -16.224 1.00 0.00 C ATOM 1052 C GLU A 68 -22.992 1.179 -15.889 1.00 0.00 C ATOM 1053 O GLU A 68 -23.058 0.665 -14.773 1.00 0.00 O ATOM 1054 CB GLU A 68 -25.194 2.034 -16.713 1.00 0.00 C ATOM 1055 CG GLU A 68 -26.069 1.425 -15.630 1.00 0.00 C ATOM 1056 CD GLU A 68 -27.266 2.292 -15.291 1.00 0.00 C ATOM 1057 OE1 GLU A 68 -28.106 2.520 -16.187 1.00 0.00 O ATOM 1058 OE2 GLU A 68 -27.363 2.743 -14.131 1.00 0.00 O ATOM 0 H GLU A 68 -23.692 3.473 -18.040 1.00 0.00 H new ATOM 0 HA GLU A 68 -23.895 3.032 -15.320 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -25.692 2.915 -17.117 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -25.094 1.321 -17.531 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -26.416 0.445 -15.957 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -25.472 1.268 -14.731 1.00 0.00 H new ATOM 1065 N ALA A 69 -22.231 0.695 -16.865 1.00 0.00 N ATOM 1066 CA ALA A 69 -21.409 -0.494 -16.675 1.00 0.00 C ATOM 1067 C ALA A 69 -20.100 -0.150 -15.974 1.00 0.00 C ATOM 1068 O ALA A 69 -19.607 -0.917 -15.147 1.00 0.00 O ATOM 1069 CB ALA A 69 -21.134 -1.164 -18.013 1.00 0.00 C ATOM 0 H ALA A 69 -22.167 1.108 -17.795 1.00 0.00 H new ATOM 0 HA ALA A 69 -21.959 -1.188 -16.040 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -20.519 -2.050 -17.857 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -22.077 -1.454 -18.476 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -20.608 -0.468 -18.667 1.00 0.00 H new ATOM 1075 N VAL A 70 -19.540 1.008 -16.310 1.00 0.00 N ATOM 1076 CA VAL A 70 -18.287 1.453 -15.712 1.00 0.00 C ATOM 1077 C VAL A 70 -18.442 1.674 -14.212 1.00 0.00 C ATOM 1078 O VAL A 70 -17.478 1.560 -13.454 1.00 0.00 O ATOM 1079 CB VAL A 70 -17.787 2.757 -16.362 1.00 0.00 C ATOM 1080 CG1 VAL A 70 -16.497 3.221 -15.704 1.00 0.00 C ATOM 1081 CG2 VAL A 70 -17.593 2.565 -17.859 1.00 0.00 C ATOM 0 H VAL A 70 -19.934 1.655 -16.993 1.00 0.00 H new ATOM 0 HA VAL A 70 -17.555 0.664 -15.887 1.00 0.00 H new ATOM 0 HB VAL A 70 -18.541 3.530 -16.213 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -16.159 4.143 -16.176 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -16.673 3.400 -14.643 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -15.733 2.453 -15.820 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -17.240 3.496 -18.302 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -16.859 1.778 -18.033 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -18.542 2.283 -18.316 1.00 0.00 H new ATOM 1091 N ASP A 71 -19.661 1.989 -13.789 1.00 0.00 N ATOM 1092 CA ASP A 71 -19.944 2.224 -12.377 1.00 0.00 C ATOM 1093 C ASP A 71 -19.648 0.978 -11.549 1.00 0.00 C ATOM 1094 O ASP A 71 -19.249 1.072 -10.387 1.00 0.00 O ATOM 1095 CB ASP A 71 -21.404 2.641 -12.190 1.00 0.00 C ATOM 1096 CG ASP A 71 -21.594 3.568 -11.006 1.00 0.00 C ATOM 1097 OD1 ASP A 71 -20.869 4.582 -10.924 1.00 0.00 O ATOM 1098 OD2 ASP A 71 -22.466 3.280 -10.160 1.00 0.00 O ATOM 0 H ASP A 71 -20.469 2.088 -14.403 1.00 0.00 H new ATOM 0 HA ASP A 71 -19.297 3.030 -12.031 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -21.756 3.136 -13.095 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -22.018 1.751 -12.053 1.00 0.00 H new ATOM 1103 N LEU A 72 -19.846 -0.188 -12.153 1.00 0.00 N ATOM 1104 CA LEU A 72 -19.601 -1.454 -11.470 1.00 0.00 C ATOM 1105 C LEU A 72 -18.107 -1.752 -11.395 1.00 0.00 C ATOM 1106 O LEU A 72 -17.649 -2.461 -10.498 1.00 0.00 O ATOM 1107 CB LEU A 72 -20.324 -2.593 -12.192 1.00 0.00 C ATOM 1108 CG LEU A 72 -21.762 -2.863 -11.749 1.00 0.00 C ATOM 1109 CD1 LEU A 72 -22.596 -3.362 -12.919 1.00 0.00 C ATOM 1110 CD2 LEU A 72 -21.789 -3.866 -10.606 1.00 0.00 C ATOM 0 H LEU A 72 -20.175 -0.284 -13.114 1.00 0.00 H new ATOM 0 HA LEU A 72 -19.988 -1.372 -10.454 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -20.329 -2.374 -13.260 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -19.746 -3.507 -12.057 1.00 0.00 H new ATOM 0 HG LEU A 72 -22.194 -1.927 -11.394 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -23.617 -3.549 -12.585 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -22.604 -2.609 -13.707 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -22.166 -4.286 -13.305 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -22.821 -4.046 -10.304 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -21.338 -4.803 -10.933 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -21.227 -3.469 -9.760 1.00 0.00 H new ATOM 1122 N LEU A 73 -17.351 -1.204 -12.340 1.00 0.00 N ATOM 1123 CA LEU A 73 -15.908 -1.409 -12.379 1.00 0.00 C ATOM 1124 C LEU A 73 -15.229 -0.728 -11.195 1.00 0.00 C ATOM 1125 O LEU A 73 -14.269 -1.254 -10.630 1.00 0.00 O ATOM 1126 CB LEU A 73 -15.332 -0.871 -13.691 1.00 0.00 C ATOM 1127 CG LEU A 73 -15.164 -1.891 -14.818 1.00 0.00 C ATOM 1128 CD1 LEU A 73 -14.847 -1.189 -16.129 1.00 0.00 C ATOM 1129 CD2 LEU A 73 -14.075 -2.895 -14.471 1.00 0.00 C ATOM 0 H LEU A 73 -17.714 -0.614 -13.089 1.00 0.00 H new ATOM 0 HA LEU A 73 -15.716 -2.480 -12.317 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -15.979 -0.069 -14.047 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -14.359 -0.426 -13.482 1.00 0.00 H new ATOM 0 HG LEU A 73 -16.103 -2.431 -14.937 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -14.731 -1.930 -16.920 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -15.661 -0.510 -16.384 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -13.922 -0.622 -16.024 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -13.969 -3.613 -15.284 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -13.130 -2.371 -14.325 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -14.344 -3.421 -13.555 1.00 0.00 H new ATOM 1141 N CYS A 74 -15.733 0.444 -10.824 1.00 0.00 N ATOM 1142 CA CYS A 74 -15.176 1.196 -9.706 1.00 0.00 C ATOM 1143 C CYS A 74 -15.633 0.609 -8.374 1.00 0.00 C ATOM 1144 O CYS A 74 -14.916 0.678 -7.376 1.00 0.00 O ATOM 1145 CB CYS A 74 -15.589 2.666 -9.798 1.00 0.00 C ATOM 1146 SG CYS A 74 -14.452 3.805 -8.974 1.00 0.00 S ATOM 0 H CYS A 74 -16.526 0.894 -11.281 1.00 0.00 H new ATOM 0 HA CYS A 74 -14.089 1.127 -9.759 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -15.668 2.945 -10.849 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -16.581 2.781 -9.362 1.00 0.00 H new ATOM 0 HG CYS A 74 -14.885 5.023 -9.108 1.00 0.00 H new ATOM 1152 N ALA A 75 -16.831 0.034 -8.367 1.00 0.00 N ATOM 1153 CA ALA A 75 -17.383 -0.566 -7.158 1.00 0.00 C ATOM 1154 C ALA A 75 -16.599 -1.811 -6.756 1.00 0.00 C ATOM 1155 O ALA A 75 -16.217 -1.968 -5.596 1.00 0.00 O ATOM 1156 CB ALA A 75 -18.851 -0.906 -7.361 1.00 0.00 C ATOM 0 H ALA A 75 -17.438 -0.029 -9.184 1.00 0.00 H new ATOM 0 HA ALA A 75 -17.299 0.161 -6.350 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -19.250 -1.353 -6.451 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -19.406 0.003 -7.593 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -18.950 -1.612 -8.186 1.00 0.00 H new ATOM 1162 N LEU A 76 -16.365 -2.693 -7.720 1.00 0.00 N ATOM 1163 CA LEU A 76 -15.627 -3.926 -7.466 1.00 0.00 C ATOM 1164 C LEU A 76 -14.261 -3.628 -6.858 1.00 0.00 C ATOM 1165 O LEU A 76 -13.772 -4.373 -6.010 1.00 0.00 O ATOM 1166 CB LEU A 76 -15.459 -4.719 -8.764 1.00 0.00 C ATOM 1167 CG LEU A 76 -16.599 -5.675 -9.119 1.00 0.00 C ATOM 1168 CD1 LEU A 76 -16.850 -5.672 -10.619 1.00 0.00 C ATOM 1169 CD2 LEU A 76 -16.287 -7.082 -8.631 1.00 0.00 C ATOM 0 H LEU A 76 -16.675 -2.578 -8.685 1.00 0.00 H new ATOM 0 HA LEU A 76 -16.198 -4.522 -6.754 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -15.335 -4.012 -9.585 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -14.536 -5.295 -8.698 1.00 0.00 H new ATOM 0 HG LEU A 76 -17.505 -5.332 -8.619 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -17.664 -6.358 -10.853 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -17.119 -4.666 -10.941 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -15.947 -5.990 -11.140 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -17.109 -7.748 -8.892 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -15.370 -7.435 -9.102 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -16.158 -7.072 -7.549 1.00 0.00 H new ATOM 1181 N ASN A 77 -13.651 -2.531 -7.297 1.00 0.00 N ATOM 1182 CA ASN A 77 -12.341 -2.133 -6.794 1.00 0.00 C ATOM 1183 C ASN A 77 -12.473 -1.347 -5.493 1.00 0.00 C ATOM 1184 O ASN A 77 -12.478 -0.116 -5.498 1.00 0.00 O ATOM 1185 CB ASN A 77 -11.605 -1.291 -7.839 1.00 0.00 C ATOM 1186 CG ASN A 77 -10.773 -2.139 -8.782 1.00 0.00 C ATOM 1187 OD1 ASN A 77 -9.575 -2.328 -8.571 1.00 0.00 O ATOM 1188 ND2 ASN A 77 -11.406 -2.653 -9.830 1.00 0.00 N ATOM 0 H ASN A 77 -14.042 -1.903 -7.999 1.00 0.00 H new ATOM 0 HA ASN A 77 -11.766 -3.037 -6.594 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -12.330 -0.716 -8.415 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -10.959 -0.573 -7.334 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -10.898 -3.231 -10.500 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -12.400 -2.470 -9.965 1.00 0.00 H new ATOM 1195 N SER A 78 -12.580 -2.067 -4.381 1.00 0.00 N ATOM 1196 CA SER A 78 -12.715 -1.438 -3.073 1.00 0.00 C ATOM 1197 C SER A 78 -11.415 -1.542 -2.283 1.00 0.00 C ATOM 1198 O SER A 78 -10.938 -0.559 -1.718 1.00 0.00 O ATOM 1199 CB SER A 78 -13.856 -2.086 -2.287 1.00 0.00 C ATOM 1200 OG SER A 78 -13.629 -3.474 -2.110 1.00 0.00 O ATOM 0 H SER A 78 -12.576 -3.087 -4.360 1.00 0.00 H new ATOM 0 HA SER A 78 -12.943 -0.383 -3.227 1.00 0.00 H new ATOM 0 HB2 SER A 78 -13.952 -1.603 -1.315 1.00 0.00 H new ATOM 0 HB3 SER A 78 -14.798 -1.933 -2.814 1.00 0.00 H new ATOM 0 HG SER A 78 -14.371 -3.865 -1.603 1.00 0.00 H new ATOM 1206 N GLY A 79 -10.845 -2.743 -2.247 1.00 0.00 N ATOM 1207 CA GLY A 79 -9.606 -2.956 -1.523 1.00 0.00 C ATOM 1208 C GLY A 79 -8.738 -4.024 -2.160 1.00 0.00 C ATOM 1209 O GLY A 79 -9.143 -4.700 -3.106 1.00 0.00 O ATOM 0 H GLY A 79 -11.220 -3.573 -2.707 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -9.050 -2.020 -1.478 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -9.833 -3.242 -0.496 1.00 0.00 H new ATOM 1213 N PRO A 80 -7.514 -4.186 -1.637 1.00 0.00 N ATOM 1214 CA PRO A 80 -6.561 -5.177 -2.146 1.00 0.00 C ATOM 1215 C PRO A 80 -6.991 -6.607 -1.835 1.00 0.00 C ATOM 1216 O PRO A 80 -6.766 -7.107 -0.733 1.00 0.00 O ATOM 1217 CB PRO A 80 -5.265 -4.836 -1.407 1.00 0.00 C ATOM 1218 CG PRO A 80 -5.709 -4.162 -0.155 1.00 0.00 C ATOM 1219 CD PRO A 80 -6.965 -3.415 -0.509 1.00 0.00 C ATOM 0 HA PRO A 80 -6.472 -5.136 -3.232 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -4.685 -5.733 -1.189 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -4.629 -4.183 -2.004 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -5.897 -4.890 0.634 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -4.942 -3.482 0.215 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -7.661 -3.379 0.329 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -6.753 -2.384 -0.792 1.00 0.00 H new ATOM 1227 N SER A 81 -7.609 -7.261 -2.814 1.00 0.00 N ATOM 1228 CA SER A 81 -8.073 -8.632 -2.643 1.00 0.00 C ATOM 1229 C SER A 81 -8.375 -9.276 -3.993 1.00 0.00 C ATOM 1230 O SER A 81 -8.678 -8.588 -4.967 1.00 0.00 O ATOM 1231 CB SER A 81 -9.321 -8.664 -1.759 1.00 0.00 C ATOM 1232 OG SER A 81 -10.283 -7.721 -2.200 1.00 0.00 O ATOM 0 H SER A 81 -7.800 -6.863 -3.734 1.00 0.00 H new ATOM 0 HA SER A 81 -7.279 -9.200 -2.159 1.00 0.00 H new ATOM 0 HB2 SER A 81 -9.755 -9.664 -1.773 1.00 0.00 H new ATOM 0 HB3 SER A 81 -9.045 -8.450 -0.726 1.00 0.00 H new ATOM 0 HG SER A 81 -11.072 -7.762 -1.620 1.00 0.00 H new ATOM 1238 N SER A 82 -8.290 -10.602 -4.041 1.00 0.00 N ATOM 1239 CA SER A 82 -8.550 -11.339 -5.272 1.00 0.00 C ATOM 1240 C SER A 82 -9.938 -11.973 -5.242 1.00 0.00 C ATOM 1241 O SER A 82 -10.814 -11.612 -6.026 1.00 0.00 O ATOM 1242 CB SER A 82 -7.487 -12.421 -5.477 1.00 0.00 C ATOM 1243 OG SER A 82 -6.306 -11.875 -6.038 1.00 0.00 O ATOM 0 H SER A 82 -8.043 -11.187 -3.243 1.00 0.00 H new ATOM 0 HA SER A 82 -8.508 -10.636 -6.104 1.00 0.00 H new ATOM 0 HB2 SER A 82 -7.255 -12.893 -4.522 1.00 0.00 H new ATOM 0 HB3 SER A 82 -7.878 -13.200 -6.131 1.00 0.00 H new ATOM 0 HG SER A 82 -5.642 -12.586 -6.158 1.00 0.00 H new ATOM 1249 N GLY A 83 -10.129 -12.922 -4.331 1.00 0.00 N ATOM 1250 CA GLY A 83 -11.411 -13.592 -4.215 1.00 0.00 C ATOM 1251 C GLY A 83 -12.218 -13.098 -3.031 1.00 0.00 C ATOM 1252 O GLY A 83 -13.288 -12.514 -3.201 1.00 0.00 O ATOM 0 H GLY A 83 -9.419 -13.239 -3.671 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -11.982 -13.437 -5.130 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -11.249 -14.666 -4.118 1.00 0.00 H new TER 1256 GLY A 83