USER MOD reduce.3.24.130724 H: found=0, std=0, add=474, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 473 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 30 ASN : amide:sc= -1.36! C(o=-0.47!,f=-7.4!) USER MOD Set 1.2: A 31 SER OG : rot 91:sc= 0.892 USER MOD Set 2.1: A 17 SER OG : rot -147:sc= 0.334! USER MOD Set 2.2: A 18 ASN : amide:sc= -1.82! C(o=-1.5!,f=-3.1!) USER MOD Single : A 1 ASP N :NH3+ 180:sc= -0.176 (180deg=-0.176) USER MOD Single : A 4 SER OG : rot 180:sc= 0.0495 USER MOD Single : A 5 SER OG : rot -49:sc= 1.06 USER MOD Single : A 6 LYS NZ :NH3+ 142:sc= -0.425 (180deg=-1.83) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=-0.021) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 172:sc= -0.817 (180deg=-1.02) USER MOD Single : A 21 GLN : amide:sc= -0.574 X(o=-0.57,f=-0.32) USER MOD Single : A 25 SER OG : rot -57:sc= 0.653 USER MOD Single : A 27 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HD1:sc= -7.28! C(o=-7.3!,f=-13!) USER MOD Single : A 34 SER OG : rot 180:sc= 0.147 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 33:sc= 0.224 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 THR OG1 : rot 117:sc= -0.419! USER MOD Single : A 59 TYR OH : rot 180:sc= -0.288 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 180:sc= -0.0775 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN :FLIP amide:sc= -1.02 F(o=-2.1,f=-1) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 5.179 4.043 -4.498 1.00 0.00 N ATOM 2 CA ASP A 1 4.927 4.883 -3.302 1.00 0.00 C ATOM 3 C ASP A 1 6.247 5.308 -2.671 1.00 0.00 C ATOM 4 O ASP A 1 6.265 6.009 -1.680 1.00 0.00 O ATOM 5 CB ASP A 1 4.128 4.084 -2.262 1.00 0.00 C ATOM 6 CG ASP A 1 2.787 4.777 -2.012 1.00 0.00 C ATOM 7 OD1 ASP A 1 2.003 4.794 -2.947 1.00 0.00 O ATOM 8 OD2 ASP A 1 2.621 5.249 -0.900 1.00 0.00 O ATOM 0 H1 ASP A 1 4.272 3.759 -4.920 1.00 0.00 H new ATOM 0 H2 ASP A 1 5.730 4.586 -5.194 1.00 0.00 H new ATOM 0 H3 ASP A 1 5.712 3.194 -4.220 1.00 0.00 H new ATOM 0 HA ASP A 1 4.364 5.763 -3.613 1.00 0.00 H new ATOM 0 HB2 ASP A 1 3.964 3.066 -2.616 1.00 0.00 H new ATOM 0 HB3 ASP A 1 4.691 4.011 -1.332 1.00 0.00 H new ATOM 15 N ASP A 2 7.332 4.879 -3.257 1.00 0.00 N ATOM 16 CA ASP A 2 8.655 5.252 -2.699 1.00 0.00 C ATOM 17 C ASP A 2 9.736 5.204 -3.772 1.00 0.00 C ATOM 18 O ASP A 2 9.471 4.866 -4.910 1.00 0.00 O ATOM 19 CB ASP A 2 9.012 4.246 -1.595 1.00 0.00 C ATOM 20 CG ASP A 2 9.872 4.938 -0.537 1.00 0.00 C ATOM 21 OD1 ASP A 2 9.312 5.776 0.151 1.00 0.00 O ATOM 22 OD2 ASP A 2 11.038 4.590 -0.476 1.00 0.00 O ATOM 0 H ASP A 2 7.356 4.292 -4.091 1.00 0.00 H new ATOM 0 HA ASP A 2 8.601 6.268 -2.308 1.00 0.00 H new ATOM 0 HB2 ASP A 2 8.104 3.851 -1.140 1.00 0.00 H new ATOM 0 HB3 ASP A 2 9.550 3.399 -2.020 1.00 0.00 H new ATOM 27 N GLU A 3 10.937 5.542 -3.390 1.00 0.00 N ATOM 28 CA GLU A 3 12.049 5.522 -4.373 1.00 0.00 C ATOM 29 C GLU A 3 12.589 4.105 -4.543 1.00 0.00 C ATOM 30 O GLU A 3 12.797 3.398 -3.576 1.00 0.00 O ATOM 31 CB GLU A 3 13.177 6.421 -3.847 1.00 0.00 C ATOM 32 CG GLU A 3 12.796 7.887 -4.066 1.00 0.00 C ATOM 33 CD GLU A 3 13.942 8.785 -3.591 1.00 0.00 C ATOM 34 OE1 GLU A 3 14.824 8.243 -2.947 1.00 0.00 O ATOM 35 OE2 GLU A 3 13.869 9.964 -3.899 1.00 0.00 O ATOM 0 H GLU A 3 11.192 5.829 -2.445 1.00 0.00 H new ATOM 0 HA GLU A 3 11.683 5.877 -5.336 1.00 0.00 H new ATOM 0 HB2 GLU A 3 13.345 6.231 -2.787 1.00 0.00 H new ATOM 0 HB3 GLU A 3 14.110 6.194 -4.363 1.00 0.00 H new ATOM 0 HG2 GLU A 3 12.591 8.067 -5.121 1.00 0.00 H new ATOM 0 HG3 GLU A 3 11.883 8.123 -3.519 1.00 0.00 H new ATOM 42 N SER A 4 12.804 3.714 -5.769 1.00 0.00 N ATOM 43 CA SER A 4 13.330 2.347 -6.016 1.00 0.00 C ATOM 44 C SER A 4 14.690 2.156 -5.349 1.00 0.00 C ATOM 45 O SER A 4 15.258 1.083 -5.387 1.00 0.00 O ATOM 46 CB SER A 4 13.492 2.155 -7.531 1.00 0.00 C ATOM 47 OG SER A 4 14.051 3.380 -7.979 1.00 0.00 O ATOM 0 H SER A 4 12.639 4.278 -6.603 1.00 0.00 H new ATOM 0 HA SER A 4 12.633 1.620 -5.600 1.00 0.00 H new ATOM 0 HB2 SER A 4 14.145 1.312 -7.758 1.00 0.00 H new ATOM 0 HB3 SER A 4 12.534 1.955 -8.012 1.00 0.00 H new ATOM 0 HG SER A 4 14.190 3.341 -8.948 1.00 0.00 H new ATOM 53 N SER A 5 15.189 3.204 -4.751 1.00 0.00 N ATOM 54 CA SER A 5 16.509 3.103 -4.077 1.00 0.00 C ATOM 55 C SER A 5 16.383 2.377 -2.746 1.00 0.00 C ATOM 56 O SER A 5 17.110 2.653 -1.813 1.00 0.00 O ATOM 57 CB SER A 5 17.022 4.520 -3.812 1.00 0.00 C ATOM 58 OG SER A 5 18.332 4.328 -3.298 1.00 0.00 O ATOM 0 H SER A 5 14.741 4.119 -4.702 1.00 0.00 H new ATOM 0 HA SER A 5 17.194 2.547 -4.717 1.00 0.00 H new ATOM 0 HB2 SER A 5 17.036 5.115 -4.725 1.00 0.00 H new ATOM 0 HB3 SER A 5 16.388 5.046 -3.098 1.00 0.00 H new ATOM 0 HG SER A 5 18.309 3.654 -2.587 1.00 0.00 H new ATOM 64 N LYS A 6 15.459 1.465 -2.688 1.00 0.00 N ATOM 65 CA LYS A 6 15.255 0.699 -1.433 1.00 0.00 C ATOM 66 C LYS A 6 16.614 0.296 -0.800 1.00 0.00 C ATOM 67 O LYS A 6 17.577 0.088 -1.511 1.00 0.00 O ATOM 68 CB LYS A 6 14.465 -0.578 -1.786 1.00 0.00 C ATOM 69 CG LYS A 6 15.251 -1.406 -2.811 1.00 0.00 C ATOM 70 CD LYS A 6 14.275 -2.309 -3.572 1.00 0.00 C ATOM 71 CE LYS A 6 13.554 -3.222 -2.576 1.00 0.00 C ATOM 72 NZ LYS A 6 12.258 -2.617 -2.156 1.00 0.00 N ATOM 0 H LYS A 6 14.836 1.217 -3.456 1.00 0.00 H new ATOM 0 HA LYS A 6 14.715 1.315 -0.714 1.00 0.00 H new ATOM 0 HB2 LYS A 6 14.288 -1.168 -0.887 1.00 0.00 H new ATOM 0 HB3 LYS A 6 13.488 -0.313 -2.191 1.00 0.00 H new ATOM 0 HG2 LYS A 6 15.775 -0.748 -3.505 1.00 0.00 H new ATOM 0 HG3 LYS A 6 16.008 -2.008 -2.309 1.00 0.00 H new ATOM 0 HD2 LYS A 6 13.552 -1.704 -4.119 1.00 0.00 H new ATOM 0 HD3 LYS A 6 14.812 -2.906 -4.309 1.00 0.00 H new ATOM 0 HE2 LYS A 6 13.377 -4.197 -3.030 1.00 0.00 H new ATOM 0 HE3 LYS A 6 14.185 -3.387 -1.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 11.541 -3.364 -2.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 12.380 -2.135 -1.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 11.948 -1.929 -2.872 1.00 0.00 H new ATOM 86 N PRO A 7 16.673 0.192 0.535 1.00 0.00 N ATOM 87 CA PRO A 7 17.919 -0.186 1.219 1.00 0.00 C ATOM 88 C PRO A 7 18.471 -1.518 0.718 1.00 0.00 C ATOM 89 O PRO A 7 17.722 -2.419 0.387 1.00 0.00 O ATOM 90 CB PRO A 7 17.525 -0.339 2.706 1.00 0.00 C ATOM 91 CG PRO A 7 16.020 0.026 2.835 1.00 0.00 C ATOM 92 CD PRO A 7 15.526 0.438 1.441 1.00 0.00 C ATOM 0 HA PRO A 7 18.693 0.561 1.043 1.00 0.00 H new ATOM 0 HB2 PRO A 7 17.702 -1.360 3.046 1.00 0.00 H new ATOM 0 HB3 PRO A 7 18.132 0.315 3.332 1.00 0.00 H new ATOM 0 HG2 PRO A 7 15.450 -0.824 3.208 1.00 0.00 H new ATOM 0 HG3 PRO A 7 15.882 0.840 3.547 1.00 0.00 H new ATOM 0 HD2 PRO A 7 14.656 -0.147 1.143 1.00 0.00 H new ATOM 0 HD3 PRO A 7 15.227 1.486 1.423 1.00 0.00 H new ATOM 100 N CYS A 8 19.777 -1.610 0.672 1.00 0.00 N ATOM 101 CA CYS A 8 20.419 -2.866 0.201 1.00 0.00 C ATOM 102 C CYS A 8 21.490 -3.281 1.167 1.00 0.00 C ATOM 103 O CYS A 8 21.519 -2.826 2.290 1.00 0.00 O ATOM 104 CB CYS A 8 21.077 -2.641 -1.159 1.00 0.00 C ATOM 105 SG CYS A 8 22.452 -1.469 -1.249 1.00 0.00 S ATOM 0 H CYS A 8 20.422 -0.867 0.941 1.00 0.00 H new ATOM 0 HA CYS A 8 19.652 -3.636 0.126 1.00 0.00 H new ATOM 0 HB2 CYS A 8 21.435 -3.605 -1.521 1.00 0.00 H new ATOM 0 HB3 CYS A 8 20.306 -2.306 -1.853 1.00 0.00 H new ATOM 110 N CYS A 9 22.363 -4.132 0.720 1.00 0.00 N ATOM 111 CA CYS A 9 23.449 -4.576 1.643 1.00 0.00 C ATOM 112 C CYS A 9 24.293 -5.703 1.051 1.00 0.00 C ATOM 113 O CYS A 9 24.088 -6.110 -0.066 1.00 0.00 O ATOM 114 CB CYS A 9 22.777 -5.110 2.906 1.00 0.00 C ATOM 115 SG CYS A 9 22.718 -4.024 4.359 1.00 0.00 S ATOM 0 H CYS A 9 22.379 -4.534 -0.218 1.00 0.00 H new ATOM 0 HA CYS A 9 24.108 -3.729 1.835 1.00 0.00 H new ATOM 0 HB2 CYS A 9 21.753 -5.383 2.650 1.00 0.00 H new ATOM 0 HB3 CYS A 9 23.289 -6.028 3.195 1.00 0.00 H new ATOM 120 N ASP A 10 25.236 -6.184 1.837 1.00 0.00 N ATOM 121 CA ASP A 10 26.115 -7.286 1.361 1.00 0.00 C ATOM 122 C ASP A 10 26.086 -8.423 2.368 1.00 0.00 C ATOM 123 O ASP A 10 25.534 -9.475 2.113 1.00 0.00 O ATOM 124 CB ASP A 10 27.554 -6.757 1.251 1.00 0.00 C ATOM 125 CG ASP A 10 27.554 -5.452 0.456 1.00 0.00 C ATOM 126 OD1 ASP A 10 27.595 -5.557 -0.759 1.00 0.00 O ATOM 127 OD2 ASP A 10 27.514 -4.422 1.108 1.00 0.00 O ATOM 0 H ASP A 10 25.427 -5.856 2.784 1.00 0.00 H new ATOM 0 HA ASP A 10 25.768 -7.644 0.392 1.00 0.00 H new ATOM 0 HB2 ASP A 10 27.969 -6.590 2.245 1.00 0.00 H new ATOM 0 HB3 ASP A 10 28.188 -7.495 0.760 1.00 0.00 H new ATOM 132 N GLN A 11 26.684 -8.185 3.501 1.00 0.00 N ATOM 133 CA GLN A 11 26.709 -9.230 4.553 1.00 0.00 C ATOM 134 C GLN A 11 25.358 -9.281 5.227 1.00 0.00 C ATOM 135 O GLN A 11 24.557 -8.396 5.049 1.00 0.00 O ATOM 136 CB GLN A 11 27.770 -8.848 5.596 1.00 0.00 C ATOM 137 CG GLN A 11 29.153 -8.890 4.945 1.00 0.00 C ATOM 138 CD GLN A 11 29.910 -10.118 5.450 1.00 0.00 C ATOM 139 OE1 GLN A 11 29.429 -11.231 5.378 1.00 0.00 O ATOM 140 NE2 GLN A 11 31.096 -9.960 5.971 1.00 0.00 N ATOM 0 H GLN A 11 27.155 -7.313 3.741 1.00 0.00 H new ATOM 0 HA GLN A 11 26.942 -10.200 4.114 1.00 0.00 H new ATOM 0 HB2 GLN A 11 27.569 -7.851 5.988 1.00 0.00 H new ATOM 0 HB3 GLN A 11 27.731 -9.536 6.440 1.00 0.00 H new ATOM 0 HG2 GLN A 11 29.056 -8.929 3.860 1.00 0.00 H new ATOM 0 HG3 GLN A 11 29.708 -7.983 5.183 1.00 0.00 H new ATOM 0 HE21 GLN A 11 31.505 -9.028 6.034 1.00 0.00 H new ATOM 0 HE22 GLN A 11 31.614 -10.769 6.315 1.00 0.00 H new ATOM 149 N CYS A 12 25.114 -10.312 5.975 1.00 0.00 N ATOM 150 CA CYS A 12 23.795 -10.396 6.653 1.00 0.00 C ATOM 151 C CYS A 12 23.894 -11.131 7.989 1.00 0.00 C ATOM 152 O CYS A 12 24.405 -12.233 8.057 1.00 0.00 O ATOM 153 CB CYS A 12 22.839 -11.164 5.734 1.00 0.00 C ATOM 154 SG CYS A 12 21.377 -10.281 5.130 1.00 0.00 S ATOM 0 H CYS A 12 25.754 -11.087 6.146 1.00 0.00 H new ATOM 0 HA CYS A 12 23.436 -9.386 6.851 1.00 0.00 H new ATOM 0 HB2 CYS A 12 23.406 -11.508 4.869 1.00 0.00 H new ATOM 0 HB3 CYS A 12 22.500 -12.052 6.267 1.00 0.00 H new ATOM 159 N ALA A 13 23.399 -10.506 9.030 1.00 0.00 N ATOM 160 CA ALA A 13 23.454 -11.151 10.369 1.00 0.00 C ATOM 161 C ALA A 13 22.234 -10.774 11.204 1.00 0.00 C ATOM 162 O ALA A 13 21.751 -9.658 11.122 1.00 0.00 O ATOM 163 CB ALA A 13 24.712 -10.653 11.091 1.00 0.00 C ATOM 0 H ALA A 13 22.963 -9.584 9.006 1.00 0.00 H new ATOM 0 HA ALA A 13 23.472 -12.233 10.242 1.00 0.00 H new ATOM 0 HB1 ALA A 13 24.772 -11.114 12.077 1.00 0.00 H new ATOM 0 HB2 ALA A 13 25.595 -10.921 10.510 1.00 0.00 H new ATOM 0 HB3 ALA A 13 24.664 -9.569 11.200 1.00 0.00 H new ATOM 169 N CYS A 14 21.759 -11.713 11.996 1.00 0.00 N ATOM 170 CA CYS A 14 20.568 -11.427 12.845 1.00 0.00 C ATOM 171 C CYS A 14 20.796 -11.800 14.291 1.00 0.00 C ATOM 172 O CYS A 14 21.464 -12.766 14.599 1.00 0.00 O ATOM 173 CB CYS A 14 19.364 -12.221 12.318 1.00 0.00 C ATOM 174 SG CYS A 14 17.886 -11.288 11.825 1.00 0.00 S ATOM 0 H CYS A 14 22.145 -12.653 12.086 1.00 0.00 H new ATOM 0 HA CYS A 14 20.382 -10.354 12.795 1.00 0.00 H new ATOM 0 HB2 CYS A 14 19.696 -12.802 11.457 1.00 0.00 H new ATOM 0 HB3 CYS A 14 19.069 -12.933 13.089 1.00 0.00 H new ATOM 179 N THR A 15 20.222 -11.008 15.150 1.00 0.00 N ATOM 180 CA THR A 15 20.361 -11.256 16.596 1.00 0.00 C ATOM 181 C THR A 15 19.106 -11.943 17.121 1.00 0.00 C ATOM 182 O THR A 15 17.997 -11.525 16.832 1.00 0.00 O ATOM 183 CB THR A 15 20.537 -9.902 17.290 1.00 0.00 C ATOM 184 OG1 THR A 15 21.929 -9.767 17.497 1.00 0.00 O ATOM 185 CG2 THR A 15 19.941 -9.918 18.699 1.00 0.00 C ATOM 0 H THR A 15 19.659 -10.194 14.903 1.00 0.00 H new ATOM 0 HA THR A 15 21.219 -11.899 16.792 1.00 0.00 H new ATOM 0 HB THR A 15 20.068 -9.122 16.690 1.00 0.00 H new ATOM 0 HG1 THR A 15 22.112 -8.912 17.940 1.00 0.00 H new ATOM 0 HG21 THR A 15 20.082 -8.943 19.165 1.00 0.00 H new ATOM 0 HG22 THR A 15 18.876 -10.142 18.641 1.00 0.00 H new ATOM 0 HG23 THR A 15 20.440 -10.681 19.296 1.00 0.00 H new ATOM 193 N LYS A 16 19.301 -12.984 17.884 1.00 0.00 N ATOM 194 CA LYS A 16 18.132 -13.715 18.436 1.00 0.00 C ATOM 195 C LYS A 16 17.639 -13.083 19.736 1.00 0.00 C ATOM 196 O LYS A 16 17.343 -13.776 20.688 1.00 0.00 O ATOM 197 CB LYS A 16 18.562 -15.163 18.726 1.00 0.00 C ATOM 198 CG LYS A 16 19.055 -15.825 17.428 1.00 0.00 C ATOM 199 CD LYS A 16 17.860 -16.370 16.636 1.00 0.00 C ATOM 200 CE LYS A 16 17.733 -17.873 16.895 1.00 0.00 C ATOM 201 NZ LYS A 16 17.783 -18.154 18.356 1.00 0.00 N ATOM 0 H LYS A 16 20.214 -13.356 18.146 1.00 0.00 H new ATOM 0 HA LYS A 16 17.322 -13.676 17.708 1.00 0.00 H new ATOM 0 HB2 LYS A 16 19.353 -15.175 19.475 1.00 0.00 H new ATOM 0 HB3 LYS A 16 17.725 -15.726 19.138 1.00 0.00 H new ATOM 0 HG2 LYS A 16 19.603 -15.101 16.825 1.00 0.00 H new ATOM 0 HG3 LYS A 16 19.747 -16.634 17.662 1.00 0.00 H new ATOM 0 HD2 LYS A 16 16.945 -15.858 16.935 1.00 0.00 H new ATOM 0 HD3 LYS A 16 17.997 -16.182 15.571 1.00 0.00 H new ATOM 0 HE2 LYS A 16 16.796 -18.242 16.479 1.00 0.00 H new ATOM 0 HE3 LYS A 16 18.538 -18.405 16.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 17.561 -19.156 18.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 18.736 -17.945 18.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 17.087 -17.558 18.848 1.00 0.00 H new ATOM 215 N SER A 17 17.560 -11.780 19.757 1.00 0.00 N ATOM 216 CA SER A 17 17.085 -11.107 20.994 1.00 0.00 C ATOM 217 C SER A 17 15.558 -11.110 21.034 1.00 0.00 C ATOM 218 O SER A 17 14.934 -12.092 20.682 1.00 0.00 O ATOM 219 CB SER A 17 17.595 -9.655 21.000 1.00 0.00 C ATOM 220 OG SER A 17 17.171 -9.139 22.251 1.00 0.00 O ATOM 0 H SER A 17 17.800 -11.162 18.982 1.00 0.00 H new ATOM 0 HA SER A 17 17.464 -11.639 21.867 1.00 0.00 H new ATOM 0 HB2 SER A 17 18.680 -9.614 20.900 1.00 0.00 H new ATOM 0 HB3 SER A 17 17.177 -9.083 20.172 1.00 0.00 H new ATOM 0 HG SER A 17 16.967 -8.185 22.159 1.00 0.00 H new ATOM 226 N ASN A 18 14.974 -10.017 21.459 1.00 0.00 N ATOM 227 CA ASN A 18 13.491 -9.972 21.517 1.00 0.00 C ATOM 228 C ASN A 18 12.973 -8.508 21.484 1.00 0.00 C ATOM 229 O ASN A 18 13.158 -7.790 22.447 1.00 0.00 O ATOM 230 CB ASN A 18 13.046 -10.593 22.856 1.00 0.00 C ATOM 231 CG ASN A 18 14.249 -11.219 23.563 1.00 0.00 C ATOM 232 OD1 ASN A 18 15.198 -10.546 23.911 1.00 0.00 O ATOM 233 ND2 ASN A 18 14.249 -12.504 23.792 1.00 0.00 N ATOM 0 H ASN A 18 15.455 -9.170 21.762 1.00 0.00 H new ATOM 0 HA ASN A 18 13.091 -10.513 20.659 1.00 0.00 H new ATOM 0 HB2 ASN A 18 12.597 -9.829 23.490 1.00 0.00 H new ATOM 0 HB3 ASN A 18 12.282 -11.350 22.680 1.00 0.00 H new ATOM 0 HD21 ASN A 18 15.044 -12.938 24.261 1.00 0.00 H new ATOM 0 HD22 ASN A 18 13.454 -13.074 23.502 1.00 0.00 H new ATOM 240 N PRO A 19 12.330 -8.063 20.385 1.00 0.00 N ATOM 241 CA PRO A 19 12.078 -8.853 19.154 1.00 0.00 C ATOM 242 C PRO A 19 13.384 -9.091 18.382 1.00 0.00 C ATOM 243 O PRO A 19 14.391 -8.476 18.673 1.00 0.00 O ATOM 244 CB PRO A 19 11.160 -7.953 18.299 1.00 0.00 C ATOM 245 CG PRO A 19 11.010 -6.595 19.039 1.00 0.00 C ATOM 246 CD PRO A 19 11.799 -6.695 20.351 1.00 0.00 C ATOM 0 HA PRO A 19 11.646 -9.827 19.384 1.00 0.00 H new ATOM 0 HB2 PRO A 19 11.587 -7.803 17.307 1.00 0.00 H new ATOM 0 HB3 PRO A 19 10.186 -8.422 18.159 1.00 0.00 H new ATOM 0 HG2 PRO A 19 11.390 -5.779 18.424 1.00 0.00 H new ATOM 0 HG3 PRO A 19 9.960 -6.381 19.238 1.00 0.00 H new ATOM 0 HD2 PRO A 19 12.604 -5.961 20.382 1.00 0.00 H new ATOM 0 HD3 PRO A 19 11.157 -6.501 21.211 1.00 0.00 H new ATOM 254 N PRO A 20 13.349 -9.979 17.405 1.00 0.00 N ATOM 255 CA PRO A 20 14.541 -10.272 16.609 1.00 0.00 C ATOM 256 C PRO A 20 15.030 -9.015 15.893 1.00 0.00 C ATOM 257 O PRO A 20 14.267 -8.094 15.671 1.00 0.00 O ATOM 258 CB PRO A 20 14.081 -11.313 15.570 1.00 0.00 C ATOM 259 CG PRO A 20 12.569 -11.585 15.818 1.00 0.00 C ATOM 260 CD PRO A 20 12.146 -10.748 17.039 1.00 0.00 C ATOM 0 HA PRO A 20 15.362 -10.632 17.229 1.00 0.00 H new ATOM 0 HB2 PRO A 20 14.243 -10.942 14.558 1.00 0.00 H new ATOM 0 HB3 PRO A 20 14.657 -12.233 15.668 1.00 0.00 H new ATOM 0 HG2 PRO A 20 11.981 -11.311 14.942 1.00 0.00 H new ATOM 0 HG3 PRO A 20 12.394 -12.645 16.000 1.00 0.00 H new ATOM 0 HD2 PRO A 20 11.313 -10.088 16.796 1.00 0.00 H new ATOM 0 HD3 PRO A 20 11.819 -11.385 17.861 1.00 0.00 H new ATOM 268 N GLN A 21 16.292 -8.996 15.548 1.00 0.00 N ATOM 269 CA GLN A 21 16.846 -7.818 14.851 1.00 0.00 C ATOM 270 C GLN A 21 17.750 -8.272 13.710 1.00 0.00 C ATOM 271 O GLN A 21 18.222 -9.390 13.719 1.00 0.00 O ATOM 272 CB GLN A 21 17.681 -7.041 15.870 1.00 0.00 C ATOM 273 CG GLN A 21 16.891 -5.822 16.359 1.00 0.00 C ATOM 274 CD GLN A 21 17.548 -5.275 17.631 1.00 0.00 C ATOM 275 OE1 GLN A 21 17.780 -4.090 17.764 1.00 0.00 O ATOM 276 NE2 GLN A 21 17.861 -6.106 18.588 1.00 0.00 N ATOM 0 H GLN A 21 16.956 -9.750 15.723 1.00 0.00 H new ATOM 0 HA GLN A 21 16.045 -7.202 14.442 1.00 0.00 H new ATOM 0 HB2 GLN A 21 17.936 -7.684 16.713 1.00 0.00 H new ATOM 0 HB3 GLN A 21 18.620 -6.721 15.418 1.00 0.00 H new ATOM 0 HG2 GLN A 21 16.870 -5.053 15.587 1.00 0.00 H new ATOM 0 HG3 GLN A 21 15.857 -6.100 16.560 1.00 0.00 H new ATOM 0 HE21 GLN A 21 17.669 -7.102 18.482 1.00 0.00 H new ATOM 0 HE22 GLN A 21 18.298 -5.759 19.442 1.00 0.00 H new ATOM 285 N CYS A 22 17.982 -7.413 12.741 1.00 0.00 N ATOM 286 CA CYS A 22 18.862 -7.848 11.624 1.00 0.00 C ATOM 287 C CYS A 22 19.637 -6.723 10.984 1.00 0.00 C ATOM 288 O CYS A 22 19.094 -5.874 10.305 1.00 0.00 O ATOM 289 CB CYS A 22 18.018 -8.539 10.559 1.00 0.00 C ATOM 290 SG CYS A 22 18.438 -10.262 10.173 1.00 0.00 S ATOM 0 H CYS A 22 17.612 -6.464 12.681 1.00 0.00 H new ATOM 0 HA CYS A 22 19.596 -8.528 12.056 1.00 0.00 H new ATOM 0 HB2 CYS A 22 16.976 -8.506 10.877 1.00 0.00 H new ATOM 0 HB3 CYS A 22 18.089 -7.958 9.640 1.00 0.00 H new ATOM 295 N ARG A 23 20.911 -6.768 11.217 1.00 0.00 N ATOM 296 CA ARG A 23 21.813 -5.761 10.672 1.00 0.00 C ATOM 297 C ARG A 23 22.637 -6.389 9.553 1.00 0.00 C ATOM 298 O ARG A 23 23.233 -7.436 9.738 1.00 0.00 O ATOM 299 CB ARG A 23 22.734 -5.339 11.814 1.00 0.00 C ATOM 300 CG ARG A 23 23.694 -6.486 12.144 1.00 0.00 C ATOM 301 CD ARG A 23 24.227 -6.307 13.568 1.00 0.00 C ATOM 302 NE ARG A 23 25.315 -7.297 13.804 1.00 0.00 N ATOM 303 CZ ARG A 23 25.400 -7.897 14.962 1.00 0.00 C ATOM 304 NH1 ARG A 23 24.390 -8.612 15.380 1.00 0.00 N ATOM 305 NH2 ARG A 23 26.494 -7.761 15.662 1.00 0.00 N ATOM 0 H ARG A 23 21.366 -7.486 11.780 1.00 0.00 H new ATOM 0 HA ARG A 23 21.270 -4.906 10.270 1.00 0.00 H new ATOM 0 HB2 ARG A 23 23.297 -4.449 11.532 1.00 0.00 H new ATOM 0 HB3 ARG A 23 22.145 -5.079 12.693 1.00 0.00 H new ATOM 0 HG2 ARG A 23 23.180 -7.443 12.054 1.00 0.00 H new ATOM 0 HG3 ARG A 23 24.520 -6.500 11.433 1.00 0.00 H new ATOM 0 HD2 ARG A 23 24.604 -5.293 13.705 1.00 0.00 H new ATOM 0 HD3 ARG A 23 23.424 -6.449 14.292 1.00 0.00 H new ATOM 0 HE ARG A 23 25.989 -7.505 13.067 1.00 0.00 H new ATOM 0 HH11 ARG A 23 23.552 -8.695 14.805 1.00 0.00 H new ATOM 0 HH12 ARG A 23 24.440 -9.087 16.281 1.00 0.00 H new ATOM 0 HH21 ARG A 23 27.262 -7.195 15.303 1.00 0.00 H new ATOM 0 HH22 ARG A 23 26.580 -8.221 16.568 1.00 0.00 H new ATOM 319 N CYS A 24 22.642 -5.757 8.409 1.00 0.00 N ATOM 320 CA CYS A 24 23.407 -6.295 7.281 1.00 0.00 C ATOM 321 C CYS A 24 24.537 -5.366 6.856 1.00 0.00 C ATOM 322 O CYS A 24 24.665 -4.265 7.355 1.00 0.00 O ATOM 323 CB CYS A 24 22.424 -6.444 6.137 1.00 0.00 C ATOM 324 SG CYS A 24 21.493 -4.978 5.652 1.00 0.00 S ATOM 0 H CYS A 24 22.142 -4.888 8.221 1.00 0.00 H new ATOM 0 HA CYS A 24 23.869 -7.241 7.565 1.00 0.00 H new ATOM 0 HB2 CYS A 24 22.973 -6.799 5.265 1.00 0.00 H new ATOM 0 HB3 CYS A 24 21.711 -7.224 6.404 1.00 0.00 H new ATOM 329 N SER A 25 25.340 -5.835 5.930 1.00 0.00 N ATOM 330 CA SER A 25 26.476 -4.997 5.449 1.00 0.00 C ATOM 331 C SER A 25 27.178 -4.354 6.629 1.00 0.00 C ATOM 332 O SER A 25 27.588 -3.212 6.581 1.00 0.00 O ATOM 333 CB SER A 25 25.921 -3.905 4.542 1.00 0.00 C ATOM 334 OG SER A 25 27.074 -3.309 3.966 1.00 0.00 O ATOM 0 H SER A 25 25.257 -6.753 5.492 1.00 0.00 H new ATOM 0 HA SER A 25 27.188 -5.618 4.906 1.00 0.00 H new ATOM 0 HB2 SER A 25 25.263 -4.319 3.778 1.00 0.00 H new ATOM 0 HB3 SER A 25 25.337 -3.178 5.106 1.00 0.00 H new ATOM 0 HG SER A 25 27.667 -2.989 4.678 1.00 0.00 H new ATOM 340 N ASP A 26 27.293 -5.119 7.665 1.00 0.00 N ATOM 341 CA ASP A 26 27.959 -4.626 8.904 1.00 0.00 C ATOM 342 C ASP A 26 29.157 -3.714 8.607 1.00 0.00 C ATOM 343 O ASP A 26 29.127 -2.535 8.917 1.00 0.00 O ATOM 344 CB ASP A 26 28.458 -5.848 9.693 1.00 0.00 C ATOM 345 CG ASP A 26 28.066 -5.695 11.163 1.00 0.00 C ATOM 346 OD1 ASP A 26 28.832 -5.054 11.864 1.00 0.00 O ATOM 347 OD2 ASP A 26 27.023 -6.229 11.505 1.00 0.00 O ATOM 0 H ASP A 26 26.952 -6.079 7.714 1.00 0.00 H new ATOM 0 HA ASP A 26 27.233 -4.040 9.468 1.00 0.00 H new ATOM 0 HB2 ASP A 26 28.026 -6.761 9.283 1.00 0.00 H new ATOM 0 HB3 ASP A 26 29.540 -5.938 9.601 1.00 0.00 H new ATOM 352 N MET A 27 30.183 -4.273 8.008 1.00 0.00 N ATOM 353 CA MET A 27 31.390 -3.451 7.689 1.00 0.00 C ATOM 354 C MET A 27 31.428 -3.020 6.228 1.00 0.00 C ATOM 355 O MET A 27 30.696 -3.526 5.401 1.00 0.00 O ATOM 356 CB MET A 27 32.637 -4.303 7.963 1.00 0.00 C ATOM 357 CG MET A 27 32.296 -5.394 8.979 1.00 0.00 C ATOM 358 SD MET A 27 33.679 -6.248 9.773 1.00 0.00 S ATOM 359 CE MET A 27 33.819 -7.602 8.582 1.00 0.00 C ATOM 0 H MET A 27 30.235 -5.253 7.730 1.00 0.00 H new ATOM 0 HA MET A 27 31.357 -2.554 8.307 1.00 0.00 H new ATOM 0 HB2 MET A 27 32.994 -4.753 7.037 1.00 0.00 H new ATOM 0 HB3 MET A 27 33.443 -3.675 8.344 1.00 0.00 H new ATOM 0 HG2 MET A 27 31.682 -4.947 9.761 1.00 0.00 H new ATOM 0 HG3 MET A 27 31.681 -6.141 8.478 1.00 0.00 H new ATOM 0 HE1 MET A 27 34.629 -8.267 8.881 1.00 0.00 H new ATOM 0 HE2 MET A 27 32.883 -8.160 8.553 1.00 0.00 H new ATOM 0 HE3 MET A 27 34.030 -7.196 7.593 1.00 0.00 H new ATOM 369 N ARG A 28 32.296 -2.082 5.947 1.00 0.00 N ATOM 370 CA ARG A 28 32.425 -1.583 4.559 1.00 0.00 C ATOM 371 C ARG A 28 33.802 -0.877 4.438 1.00 0.00 C ATOM 372 O ARG A 28 34.240 -0.235 5.373 1.00 0.00 O ATOM 373 CB ARG A 28 31.180 -0.657 4.301 1.00 0.00 C ATOM 374 CG ARG A 28 31.524 0.772 3.854 1.00 0.00 C ATOM 375 CD ARG A 28 31.553 0.795 2.333 1.00 0.00 C ATOM 376 NE ARG A 28 32.480 -0.261 1.841 1.00 0.00 N ATOM 377 CZ ARG A 28 32.845 -0.259 0.589 1.00 0.00 C ATOM 378 NH1 ARG A 28 31.976 0.091 -0.320 1.00 0.00 N ATOM 379 NH2 ARG A 28 34.061 -0.618 0.287 1.00 0.00 N ATOM 0 H ARG A 28 32.919 -1.644 6.625 1.00 0.00 H new ATOM 0 HA ARG A 28 32.416 -2.360 3.794 1.00 0.00 H new ATOM 0 HB2 ARG A 28 30.552 -1.120 3.540 1.00 0.00 H new ATOM 0 HB3 ARG A 28 30.588 -0.605 5.215 1.00 0.00 H new ATOM 0 HG2 ARG A 28 30.784 1.478 4.232 1.00 0.00 H new ATOM 0 HG3 ARG A 28 32.490 1.076 4.258 1.00 0.00 H new ATOM 0 HD2 ARG A 28 30.551 0.629 1.936 1.00 0.00 H new ATOM 0 HD3 ARG A 28 31.878 1.773 1.979 1.00 0.00 H new ATOM 0 HE ARG A 28 32.826 -0.979 2.477 1.00 0.00 H new ATOM 0 HH11 ARG A 28 31.030 0.357 -0.046 1.00 0.00 H new ATOM 0 HH12 ARG A 28 32.243 0.099 -1.304 1.00 0.00 H new ATOM 0 HH21 ARG A 28 34.709 -0.894 1.024 1.00 0.00 H new ATOM 0 HH22 ARG A 28 34.364 -0.623 -0.687 1.00 0.00 H new ATOM 393 N LEU A 29 34.458 -1.004 3.298 1.00 0.00 N ATOM 394 CA LEU A 29 35.806 -0.341 3.145 1.00 0.00 C ATOM 395 C LEU A 29 35.769 1.058 2.496 1.00 0.00 C ATOM 396 O LEU A 29 36.657 1.444 1.762 1.00 0.00 O ATOM 397 CB LEU A 29 36.670 -1.274 2.288 1.00 0.00 C ATOM 398 CG LEU A 29 37.903 -1.698 3.091 1.00 0.00 C ATOM 399 CD1 LEU A 29 38.793 -2.586 2.218 1.00 0.00 C ATOM 400 CD2 LEU A 29 38.686 -0.452 3.508 1.00 0.00 C ATOM 0 H LEU A 29 34.129 -1.525 2.485 1.00 0.00 H new ATOM 0 HA LEU A 29 36.208 -0.181 4.145 1.00 0.00 H new ATOM 0 HB2 LEU A 29 36.095 -2.151 1.992 1.00 0.00 H new ATOM 0 HB3 LEU A 29 36.974 -0.768 1.372 1.00 0.00 H new ATOM 0 HG LEU A 29 37.592 -2.250 3.978 1.00 0.00 H new ATOM 0 HD11 LEU A 29 39.672 -2.890 2.786 1.00 0.00 H new ATOM 0 HD12 LEU A 29 38.235 -3.471 1.911 1.00 0.00 H new ATOM 0 HD13 LEU A 29 39.106 -2.030 1.334 1.00 0.00 H new ATOM 0 HD21 LEU A 29 39.565 -0.749 4.080 1.00 0.00 H new ATOM 0 HD22 LEU A 29 39.000 0.095 2.619 1.00 0.00 H new ATOM 0 HD23 LEU A 29 38.052 0.187 4.123 1.00 0.00 H new ATOM 412 N ASN A 30 34.757 1.776 2.772 1.00 0.00 N ATOM 413 CA ASN A 30 34.646 3.142 2.189 1.00 0.00 C ATOM 414 C ASN A 30 33.585 3.951 2.930 1.00 0.00 C ATOM 415 O ASN A 30 33.832 4.478 3.997 1.00 0.00 O ATOM 416 CB ASN A 30 34.293 3.038 0.689 1.00 0.00 C ATOM 417 CG ASN A 30 33.880 4.415 0.165 1.00 0.00 C ATOM 418 OD1 ASN A 30 34.238 5.436 0.721 1.00 0.00 O ATOM 419 ND2 ASN A 30 33.128 4.490 -0.898 1.00 0.00 N ATOM 0 H ASN A 30 33.986 1.494 3.377 1.00 0.00 H new ATOM 0 HA ASN A 30 35.602 3.654 2.295 1.00 0.00 H new ATOM 0 HB2 ASN A 30 35.150 2.666 0.128 1.00 0.00 H new ATOM 0 HB3 ASN A 30 33.482 2.324 0.544 1.00 0.00 H new ATOM 0 HD21 ASN A 30 32.844 5.401 -1.258 1.00 0.00 H new ATOM 0 HD22 ASN A 30 32.824 3.638 -1.369 1.00 0.00 H new ATOM 426 N SER A 31 32.425 4.030 2.349 1.00 0.00 N ATOM 427 CA SER A 31 31.328 4.792 2.989 1.00 0.00 C ATOM 428 C SER A 31 29.997 4.116 2.709 1.00 0.00 C ATOM 429 O SER A 31 29.844 3.440 1.711 1.00 0.00 O ATOM 430 CB SER A 31 31.294 6.202 2.389 1.00 0.00 C ATOM 431 OG SER A 31 32.654 6.608 2.376 1.00 0.00 O ATOM 0 H SER A 31 32.190 3.598 1.455 1.00 0.00 H new ATOM 0 HA SER A 31 31.497 4.834 4.065 1.00 0.00 H new ATOM 0 HB2 SER A 31 30.870 6.197 1.385 1.00 0.00 H new ATOM 0 HB3 SER A 31 30.683 6.876 2.990 1.00 0.00 H new ATOM 0 HG SER A 31 33.063 6.355 1.522 1.00 0.00 H new ATOM 437 N CYS A 32 29.056 4.303 3.585 1.00 0.00 N ATOM 438 CA CYS A 32 27.739 3.669 3.362 1.00 0.00 C ATOM 439 C CYS A 32 26.829 4.594 2.571 1.00 0.00 C ATOM 440 O CYS A 32 27.125 5.758 2.397 1.00 0.00 O ATOM 441 CB CYS A 32 27.080 3.397 4.718 1.00 0.00 C ATOM 442 SG CYS A 32 27.973 3.890 6.206 1.00 0.00 S ATOM 0 H CYS A 32 29.142 4.861 4.435 1.00 0.00 H new ATOM 0 HA CYS A 32 27.888 2.743 2.807 1.00 0.00 H new ATOM 0 HB2 CYS A 32 26.113 3.900 4.727 1.00 0.00 H new ATOM 0 HB3 CYS A 32 26.883 2.327 4.785 1.00 0.00 H new ATOM 447 N HIS A 33 25.736 4.060 2.108 1.00 0.00 N ATOM 448 CA HIS A 33 24.796 4.894 1.326 1.00 0.00 C ATOM 449 C HIS A 33 23.890 5.688 2.268 1.00 0.00 C ATOM 450 O HIS A 33 24.207 5.864 3.428 1.00 0.00 O ATOM 451 CB HIS A 33 23.940 3.962 0.459 1.00 0.00 C ATOM 452 CG HIS A 33 23.387 2.832 1.326 1.00 0.00 C ATOM 453 ND1 HIS A 33 23.305 2.856 2.578 1.00 0.00 N ATOM 454 CD2 HIS A 33 22.886 1.600 0.952 1.00 0.00 C ATOM 455 CE1 HIS A 33 22.806 1.777 3.029 1.00 0.00 C ATOM 456 NE2 HIS A 33 22.508 0.915 2.060 1.00 0.00 N ATOM 0 H HIS A 33 25.457 3.088 2.238 1.00 0.00 H new ATOM 0 HA HIS A 33 25.351 5.595 0.703 1.00 0.00 H new ATOM 0 HB2 HIS A 33 23.122 4.520 0.003 1.00 0.00 H new ATOM 0 HB3 HIS A 33 24.538 3.552 -0.355 1.00 0.00 H new ATOM 0 HD2 HIS A 33 22.808 1.239 -0.063 1.00 0.00 H new ATOM 0 HE1 HIS A 33 22.643 1.582 4.079 1.00 0.00 H new ATOM 0 HE2 HIS A 33 22.101 -0.018 2.132 1.00 0.00 H new ATOM 464 N SER A 34 22.783 6.155 1.759 1.00 0.00 N ATOM 465 CA SER A 34 21.865 6.932 2.622 1.00 0.00 C ATOM 466 C SER A 34 20.858 6.026 3.327 1.00 0.00 C ATOM 467 O SER A 34 19.976 6.500 4.017 1.00 0.00 O ATOM 468 CB SER A 34 21.104 7.927 1.739 1.00 0.00 C ATOM 469 OG SER A 34 21.386 7.501 0.412 1.00 0.00 O ATOM 0 H SER A 34 22.481 6.031 0.793 1.00 0.00 H new ATOM 0 HA SER A 34 22.451 7.445 3.385 1.00 0.00 H new ATOM 0 HB2 SER A 34 20.034 7.905 1.945 1.00 0.00 H new ATOM 0 HB3 SER A 34 21.441 8.950 1.909 1.00 0.00 H new ATOM 0 HG SER A 34 20.930 8.090 -0.225 1.00 0.00 H new ATOM 475 N ALA A 35 21.000 4.740 3.149 1.00 0.00 N ATOM 476 CA ALA A 35 20.048 3.813 3.811 1.00 0.00 C ATOM 477 C ALA A 35 20.529 3.463 5.223 1.00 0.00 C ATOM 478 O ALA A 35 20.207 2.421 5.760 1.00 0.00 O ATOM 479 CB ALA A 35 19.938 2.536 2.967 1.00 0.00 C ATOM 0 H ALA A 35 21.724 4.299 2.582 1.00 0.00 H new ATOM 0 HA ALA A 35 19.073 4.294 3.893 1.00 0.00 H new ATOM 0 HB1 ALA A 35 19.241 1.845 3.442 1.00 0.00 H new ATOM 0 HB2 ALA A 35 19.576 2.789 1.970 1.00 0.00 H new ATOM 0 HB3 ALA A 35 20.918 2.066 2.889 1.00 0.00 H new ATOM 485 N CYS A 36 21.288 4.359 5.793 1.00 0.00 N ATOM 486 CA CYS A 36 21.812 4.143 7.148 1.00 0.00 C ATOM 487 C CYS A 36 21.787 5.457 7.889 1.00 0.00 C ATOM 488 O CYS A 36 22.638 6.306 7.711 1.00 0.00 O ATOM 489 CB CYS A 36 23.248 3.639 7.067 1.00 0.00 C ATOM 490 SG CYS A 36 23.870 2.741 8.510 1.00 0.00 S ATOM 0 H CYS A 36 21.565 5.241 5.361 1.00 0.00 H new ATOM 0 HA CYS A 36 21.201 3.405 7.668 1.00 0.00 H new ATOM 0 HB2 CYS A 36 23.333 2.988 6.197 1.00 0.00 H new ATOM 0 HB3 CYS A 36 23.900 4.494 6.890 1.00 0.00 H new ATOM 495 N LYS A 37 20.809 5.591 8.699 1.00 0.00 N ATOM 496 CA LYS A 37 20.662 6.834 9.485 1.00 0.00 C ATOM 497 C LYS A 37 21.729 6.957 10.548 1.00 0.00 C ATOM 498 O LYS A 37 22.076 8.049 10.952 1.00 0.00 O ATOM 499 CB LYS A 37 19.290 6.803 10.163 1.00 0.00 C ATOM 500 CG LYS A 37 18.432 7.940 9.607 1.00 0.00 C ATOM 501 CD LYS A 37 17.010 7.813 10.154 1.00 0.00 C ATOM 502 CE LYS A 37 16.139 8.914 9.542 1.00 0.00 C ATOM 503 NZ LYS A 37 14.750 8.836 10.072 1.00 0.00 N ATOM 0 H LYS A 37 20.088 4.888 8.861 1.00 0.00 H new ATOM 0 HA LYS A 37 20.761 7.687 8.813 1.00 0.00 H new ATOM 0 HB2 LYS A 37 18.804 5.844 9.985 1.00 0.00 H new ATOM 0 HB3 LYS A 37 19.401 6.909 11.242 1.00 0.00 H new ATOM 0 HG2 LYS A 37 18.858 8.903 9.888 1.00 0.00 H new ATOM 0 HG3 LYS A 37 18.420 7.903 8.518 1.00 0.00 H new ATOM 0 HD2 LYS A 37 16.601 6.832 9.913 1.00 0.00 H new ATOM 0 HD3 LYS A 37 17.016 7.898 11.241 1.00 0.00 H new ATOM 0 HE2 LYS A 37 16.566 9.891 9.768 1.00 0.00 H new ATOM 0 HE3 LYS A 37 16.126 8.815 8.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 14.173 9.590 9.647 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 14.339 7.910 9.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 14.766 8.954 11.105 1.00 0.00 H new ATOM 517 N SER A 38 22.227 5.837 10.977 1.00 0.00 N ATOM 518 CA SER A 38 23.278 5.851 12.021 1.00 0.00 C ATOM 519 C SER A 38 24.551 5.133 11.568 1.00 0.00 C ATOM 520 O SER A 38 24.905 4.104 12.099 1.00 0.00 O ATOM 521 CB SER A 38 22.715 5.135 13.247 1.00 0.00 C ATOM 522 OG SER A 38 21.937 6.127 13.901 1.00 0.00 O ATOM 0 H SER A 38 21.951 4.912 10.649 1.00 0.00 H new ATOM 0 HA SER A 38 23.547 6.885 12.237 1.00 0.00 H new ATOM 0 HB2 SER A 38 22.108 4.276 12.963 1.00 0.00 H new ATOM 0 HB3 SER A 38 23.511 4.763 13.892 1.00 0.00 H new ATOM 0 HG SER A 38 21.533 5.746 14.708 1.00 0.00 H new ATOM 528 N CYS A 39 25.199 5.673 10.577 1.00 0.00 N ATOM 529 CA CYS A 39 26.453 5.027 10.091 1.00 0.00 C ATOM 530 C CYS A 39 27.679 5.729 10.634 1.00 0.00 C ATOM 531 O CYS A 39 27.790 6.937 10.582 1.00 0.00 O ATOM 532 CB CYS A 39 26.511 5.094 8.570 1.00 0.00 C ATOM 533 SG CYS A 39 26.652 3.522 7.685 1.00 0.00 S ATOM 0 H CYS A 39 24.922 6.523 10.086 1.00 0.00 H new ATOM 0 HA CYS A 39 26.445 3.993 10.436 1.00 0.00 H new ATOM 0 HB2 CYS A 39 25.613 5.602 8.218 1.00 0.00 H new ATOM 0 HB3 CYS A 39 27.360 5.718 8.290 1.00 0.00 H new ATOM 538 N ILE A 40 28.571 4.950 11.146 1.00 0.00 N ATOM 539 CA ILE A 40 29.823 5.521 11.710 1.00 0.00 C ATOM 540 C ILE A 40 30.929 5.389 10.680 1.00 0.00 C ATOM 541 O ILE A 40 30.856 4.537 9.818 1.00 0.00 O ATOM 542 CB ILE A 40 30.219 4.709 12.949 1.00 0.00 C ATOM 543 CG1 ILE A 40 29.051 4.624 13.926 1.00 0.00 C ATOM 544 CG2 ILE A 40 31.391 5.416 13.648 1.00 0.00 C ATOM 545 CD1 ILE A 40 28.761 3.151 14.221 1.00 0.00 C ATOM 0 H ILE A 40 28.493 3.935 11.202 1.00 0.00 H new ATOM 0 HA ILE A 40 29.671 6.568 11.972 1.00 0.00 H new ATOM 0 HB ILE A 40 30.501 3.703 12.639 1.00 0.00 H new ATOM 0 HG12 ILE A 40 29.291 5.153 14.848 1.00 0.00 H new ATOM 0 HG13 ILE A 40 28.169 5.105 13.503 1.00 0.00 H new ATOM 0 HG21 ILE A 40 31.683 4.849 14.532 1.00 0.00 H new ATOM 0 HG22 ILE A 40 32.237 5.482 12.963 1.00 0.00 H new ATOM 0 HG23 ILE A 40 31.086 6.419 13.945 1.00 0.00 H new ATOM 0 HD11 ILE A 40 27.927 3.077 14.919 1.00 0.00 H new ATOM 0 HD12 ILE A 40 28.505 2.638 13.294 1.00 0.00 H new ATOM 0 HD13 ILE A 40 29.644 2.687 14.660 1.00 0.00 H new ATOM 557 N CYS A 41 31.937 6.217 10.755 1.00 0.00 N ATOM 558 CA CYS A 41 33.005 6.073 9.741 1.00 0.00 C ATOM 559 C CYS A 41 34.339 6.633 10.164 1.00 0.00 C ATOM 560 O CYS A 41 34.436 7.641 10.837 1.00 0.00 O ATOM 561 CB CYS A 41 32.590 6.788 8.460 1.00 0.00 C ATOM 562 SG CYS A 41 32.807 5.893 6.898 1.00 0.00 S ATOM 0 H CYS A 41 32.061 6.956 11.447 1.00 0.00 H new ATOM 0 HA CYS A 41 33.130 5.000 9.597 1.00 0.00 H new ATOM 0 HB2 CYS A 41 31.538 7.058 8.550 1.00 0.00 H new ATOM 0 HB3 CYS A 41 33.153 7.719 8.396 1.00 0.00 H new ATOM 567 N ALA A 42 35.347 5.940 9.733 1.00 0.00 N ATOM 568 CA ALA A 42 36.727 6.338 10.045 1.00 0.00 C ATOM 569 C ALA A 42 37.328 7.005 8.817 1.00 0.00 C ATOM 570 O ALA A 42 37.654 6.337 7.841 1.00 0.00 O ATOM 571 CB ALA A 42 37.536 5.078 10.389 1.00 0.00 C ATOM 0 H ALA A 42 35.264 5.097 9.165 1.00 0.00 H new ATOM 0 HA ALA A 42 36.745 7.029 10.888 1.00 0.00 H new ATOM 0 HB1 ALA A 42 38.563 5.358 10.623 1.00 0.00 H new ATOM 0 HB2 ALA A 42 37.089 4.583 11.251 1.00 0.00 H new ATOM 0 HB3 ALA A 42 37.530 4.398 9.537 1.00 0.00 H new ATOM 577 N LEU A 43 37.444 8.307 8.871 1.00 0.00 N ATOM 578 CA LEU A 43 38.015 9.039 7.716 1.00 0.00 C ATOM 579 C LEU A 43 39.524 8.885 7.649 1.00 0.00 C ATOM 580 O LEU A 43 40.265 9.783 7.995 1.00 0.00 O ATOM 581 CB LEU A 43 37.679 10.519 7.877 1.00 0.00 C ATOM 582 CG LEU A 43 36.158 10.696 7.830 1.00 0.00 C ATOM 583 CD1 LEU A 43 35.758 11.877 8.716 1.00 0.00 C ATOM 584 CD2 LEU A 43 35.730 10.978 6.389 1.00 0.00 C ATOM 0 H LEU A 43 37.168 8.887 9.663 1.00 0.00 H new ATOM 0 HA LEU A 43 37.591 8.631 6.799 1.00 0.00 H new ATOM 0 HB2 LEU A 43 38.072 10.893 8.822 1.00 0.00 H new ATOM 0 HB3 LEU A 43 38.150 11.100 7.084 1.00 0.00 H new ATOM 0 HG LEU A 43 35.671 9.789 8.188 1.00 0.00 H new ATOM 0 HD11 LEU A 43 34.676 12.005 8.685 1.00 0.00 H new ATOM 0 HD12 LEU A 43 36.071 11.684 9.742 1.00 0.00 H new ATOM 0 HD13 LEU A 43 36.242 12.784 8.353 1.00 0.00 H new ATOM 0 HD21 LEU A 43 34.648 11.105 6.349 1.00 0.00 H new ATOM 0 HD22 LEU A 43 36.215 11.888 6.037 1.00 0.00 H new ATOM 0 HD23 LEU A 43 36.021 10.142 5.753 1.00 0.00 H new ATOM 596 N SER A 44 39.946 7.746 7.202 1.00 0.00 N ATOM 597 CA SER A 44 41.400 7.487 7.092 1.00 0.00 C ATOM 598 C SER A 44 41.652 6.342 6.127 1.00 0.00 C ATOM 599 O SER A 44 40.980 5.335 6.172 1.00 0.00 O ATOM 600 CB SER A 44 41.934 7.093 8.477 1.00 0.00 C ATOM 601 OG SER A 44 41.059 6.059 8.904 1.00 0.00 O ATOM 0 H SER A 44 39.344 6.978 6.906 1.00 0.00 H new ATOM 0 HA SER A 44 41.902 8.383 6.727 1.00 0.00 H new ATOM 0 HB2 SER A 44 42.966 6.745 8.422 1.00 0.00 H new ATOM 0 HB3 SER A 44 41.919 7.938 9.165 1.00 0.00 H new ATOM 0 HG SER A 44 40.755 5.546 8.126 1.00 0.00 H new ATOM 607 N TYR A 45 42.618 6.499 5.277 1.00 0.00 N ATOM 608 CA TYR A 45 42.897 5.412 4.319 1.00 0.00 C ATOM 609 C TYR A 45 43.691 4.285 5.021 1.00 0.00 C ATOM 610 O TYR A 45 44.695 4.563 5.646 1.00 0.00 O ATOM 611 CB TYR A 45 43.766 5.989 3.190 1.00 0.00 C ATOM 612 CG TYR A 45 43.392 7.457 2.968 1.00 0.00 C ATOM 613 CD1 TYR A 45 42.108 7.803 2.606 1.00 0.00 C ATOM 614 CD2 TYR A 45 44.335 8.456 3.124 1.00 0.00 C ATOM 615 CE1 TYR A 45 41.768 9.125 2.404 1.00 0.00 C ATOM 616 CE2 TYR A 45 43.995 9.777 2.922 1.00 0.00 C ATOM 617 CZ TYR A 45 42.709 10.121 2.559 1.00 0.00 C ATOM 618 OH TYR A 45 42.369 11.442 2.354 1.00 0.00 O ATOM 0 H TYR A 45 43.218 7.321 5.205 1.00 0.00 H new ATOM 0 HA TYR A 45 41.962 5.009 3.931 1.00 0.00 H new ATOM 0 HB2 TYR A 45 44.822 5.905 3.448 1.00 0.00 H new ATOM 0 HB3 TYR A 45 43.616 5.420 2.272 1.00 0.00 H new ATOM 0 HD1 TYR A 45 41.362 7.033 2.479 1.00 0.00 H new ATOM 0 HD2 TYR A 45 45.346 8.200 3.406 1.00 0.00 H new ATOM 0 HE1 TYR A 45 40.757 9.382 2.122 1.00 0.00 H new ATOM 0 HE2 TYR A 45 44.741 10.548 3.049 1.00 0.00 H new ATOM 0 HH TYR A 45 43.153 12.009 2.508 1.00 0.00 H new ATOM 628 N PRO A 46 43.248 3.018 4.924 1.00 0.00 N ATOM 629 CA PRO A 46 42.034 2.580 4.186 1.00 0.00 C ATOM 630 C PRO A 46 40.729 3.023 4.877 1.00 0.00 C ATOM 631 O PRO A 46 40.497 2.714 6.031 1.00 0.00 O ATOM 632 CB PRO A 46 42.102 1.037 4.214 1.00 0.00 C ATOM 633 CG PRO A 46 43.311 0.635 5.104 1.00 0.00 C ATOM 634 CD PRO A 46 44.000 1.928 5.558 1.00 0.00 C ATOM 0 HA PRO A 46 42.019 3.013 3.186 1.00 0.00 H new ATOM 0 HB2 PRO A 46 41.177 0.620 4.613 1.00 0.00 H new ATOM 0 HB3 PRO A 46 42.221 0.641 3.206 1.00 0.00 H new ATOM 0 HG2 PRO A 46 42.977 0.056 5.965 1.00 0.00 H new ATOM 0 HG3 PRO A 46 44.005 0.006 4.546 1.00 0.00 H new ATOM 0 HD2 PRO A 46 43.984 2.020 6.644 1.00 0.00 H new ATOM 0 HD3 PRO A 46 45.046 1.943 5.252 1.00 0.00 H new ATOM 642 N ALA A 47 39.908 3.740 4.149 1.00 0.00 N ATOM 643 CA ALA A 47 38.614 4.215 4.728 1.00 0.00 C ATOM 644 C ALA A 47 37.823 3.062 5.323 1.00 0.00 C ATOM 645 O ALA A 47 37.878 1.952 4.829 1.00 0.00 O ATOM 646 CB ALA A 47 37.780 4.825 3.593 1.00 0.00 C ATOM 0 H ALA A 47 40.078 4.016 3.182 1.00 0.00 H new ATOM 0 HA ALA A 47 38.826 4.940 5.513 1.00 0.00 H new ATOM 0 HB1 ALA A 47 36.829 5.180 3.990 1.00 0.00 H new ATOM 0 HB2 ALA A 47 38.323 5.660 3.151 1.00 0.00 H new ATOM 0 HB3 ALA A 47 37.595 4.069 2.830 1.00 0.00 H new ATOM 652 N GLN A 48 37.102 3.342 6.382 1.00 0.00 N ATOM 653 CA GLN A 48 36.294 2.263 7.021 1.00 0.00 C ATOM 654 C GLN A 48 34.938 2.793 7.448 1.00 0.00 C ATOM 655 O GLN A 48 34.815 3.938 7.837 1.00 0.00 O ATOM 656 CB GLN A 48 37.044 1.764 8.260 1.00 0.00 C ATOM 657 CG GLN A 48 36.639 0.316 8.544 1.00 0.00 C ATOM 658 CD GLN A 48 37.184 -0.101 9.910 1.00 0.00 C ATOM 659 OE1 GLN A 48 36.449 -0.235 10.868 1.00 0.00 O ATOM 660 NE2 GLN A 48 38.464 -0.317 10.043 1.00 0.00 N ATOM 0 H GLN A 48 37.040 4.259 6.825 1.00 0.00 H new ATOM 0 HA GLN A 48 36.145 1.455 6.305 1.00 0.00 H new ATOM 0 HB2 GLN A 48 38.120 1.828 8.099 1.00 0.00 H new ATOM 0 HB3 GLN A 48 36.812 2.394 9.119 1.00 0.00 H new ATOM 0 HG2 GLN A 48 35.553 0.220 8.528 1.00 0.00 H new ATOM 0 HG3 GLN A 48 37.029 -0.342 7.767 1.00 0.00 H new ATOM 0 HE21 GLN A 48 39.086 -0.206 9.242 1.00 0.00 H new ATOM 0 HE22 GLN A 48 38.843 -0.597 10.948 1.00 0.00 H new ATOM 669 N CYS A 49 33.934 1.958 7.369 1.00 0.00 N ATOM 670 CA CYS A 49 32.588 2.427 7.775 1.00 0.00 C ATOM 671 C CYS A 49 31.732 1.314 8.337 1.00 0.00 C ATOM 672 O CYS A 49 31.894 0.158 8.000 1.00 0.00 O ATOM 673 CB CYS A 49 31.878 3.033 6.562 1.00 0.00 C ATOM 674 SG CYS A 49 31.187 4.696 6.759 1.00 0.00 S ATOM 0 H CYS A 49 33.990 0.992 7.047 1.00 0.00 H new ATOM 0 HA CYS A 49 32.726 3.170 8.561 1.00 0.00 H new ATOM 0 HB2 CYS A 49 32.585 3.056 5.732 1.00 0.00 H new ATOM 0 HB3 CYS A 49 31.069 2.362 6.273 1.00 0.00 H new ATOM 679 N PHE A 50 30.827 1.705 9.196 1.00 0.00 N ATOM 680 CA PHE A 50 29.921 0.722 9.825 1.00 0.00 C ATOM 681 C PHE A 50 28.487 1.231 9.798 1.00 0.00 C ATOM 682 O PHE A 50 28.247 2.424 9.814 1.00 0.00 O ATOM 683 CB PHE A 50 30.343 0.551 11.290 1.00 0.00 C ATOM 684 CG PHE A 50 30.734 -0.905 11.546 1.00 0.00 C ATOM 685 CD1 PHE A 50 31.802 -1.471 10.874 1.00 0.00 C ATOM 686 CD2 PHE A 50 30.040 -1.669 12.471 1.00 0.00 C ATOM 687 CE1 PHE A 50 32.171 -2.777 11.123 1.00 0.00 C ATOM 688 CE2 PHE A 50 30.413 -2.974 12.716 1.00 0.00 C ATOM 689 CZ PHE A 50 31.476 -3.527 12.043 1.00 0.00 C ATOM 0 H PHE A 50 30.682 2.672 9.485 1.00 0.00 H new ATOM 0 HA PHE A 50 29.978 -0.221 9.282 1.00 0.00 H new ATOM 0 HB2 PHE A 50 31.183 1.208 11.516 1.00 0.00 H new ATOM 0 HB3 PHE A 50 29.525 0.840 11.950 1.00 0.00 H new ATOM 0 HD1 PHE A 50 32.351 -0.887 10.150 1.00 0.00 H new ATOM 0 HD2 PHE A 50 29.203 -1.240 13.002 1.00 0.00 H new ATOM 0 HE1 PHE A 50 33.007 -3.211 10.595 1.00 0.00 H new ATOM 0 HE2 PHE A 50 29.868 -3.563 13.439 1.00 0.00 H new ATOM 0 HZ PHE A 50 31.765 -4.549 12.236 1.00 0.00 H new ATOM 699 N CYS A 51 27.565 0.314 9.754 1.00 0.00 N ATOM 700 CA CYS A 51 26.125 0.696 9.725 1.00 0.00 C ATOM 701 C CYS A 51 25.390 -0.017 10.845 1.00 0.00 C ATOM 702 O CYS A 51 25.229 -1.221 10.799 1.00 0.00 O ATOM 703 CB CYS A 51 25.543 0.232 8.377 1.00 0.00 C ATOM 704 SG CYS A 51 23.888 0.810 7.930 1.00 0.00 S ATOM 0 H CYS A 51 27.746 -0.690 9.737 1.00 0.00 H new ATOM 0 HA CYS A 51 26.016 1.773 9.849 1.00 0.00 H new ATOM 0 HB2 CYS A 51 26.230 0.543 7.590 1.00 0.00 H new ATOM 0 HB3 CYS A 51 25.529 -0.858 8.375 1.00 0.00 H new ATOM 709 N VAL A 52 24.945 0.725 11.839 1.00 0.00 N ATOM 710 CA VAL A 52 24.222 0.040 12.947 1.00 0.00 C ATOM 711 C VAL A 52 22.739 -0.013 12.663 1.00 0.00 C ATOM 712 O VAL A 52 21.992 -0.622 13.396 1.00 0.00 O ATOM 713 CB VAL A 52 24.466 0.780 14.268 1.00 0.00 C ATOM 714 CG1 VAL A 52 25.754 0.253 14.905 1.00 0.00 C ATOM 715 CG2 VAL A 52 24.615 2.254 13.990 1.00 0.00 C ATOM 0 H VAL A 52 25.049 1.736 11.925 1.00 0.00 H new ATOM 0 HA VAL A 52 24.601 -0.979 13.026 1.00 0.00 H new ATOM 0 HB VAL A 52 23.627 0.618 14.944 1.00 0.00 H new ATOM 0 HG11 VAL A 52 25.935 0.774 15.845 1.00 0.00 H new ATOM 0 HG12 VAL A 52 25.655 -0.816 15.096 1.00 0.00 H new ATOM 0 HG13 VAL A 52 26.591 0.424 14.228 1.00 0.00 H new ATOM 0 HG21 VAL A 52 24.789 2.785 14.926 1.00 0.00 H new ATOM 0 HG22 VAL A 52 25.459 2.414 13.320 1.00 0.00 H new ATOM 0 HG23 VAL A 52 23.705 2.630 13.523 1.00 0.00 H new ATOM 725 N ASP A 53 22.323 0.640 11.609 1.00 0.00 N ATOM 726 CA ASP A 53 20.886 0.611 11.289 1.00 0.00 C ATOM 727 C ASP A 53 20.422 -0.840 11.301 1.00 0.00 C ATOM 728 O ASP A 53 21.229 -1.733 11.126 1.00 0.00 O ATOM 729 CB ASP A 53 20.701 1.196 9.880 1.00 0.00 C ATOM 730 CG ASP A 53 19.255 1.667 9.693 1.00 0.00 C ATOM 731 OD1 ASP A 53 18.698 2.121 10.679 1.00 0.00 O ATOM 732 OD2 ASP A 53 18.791 1.549 8.572 1.00 0.00 O ATOM 0 H ASP A 53 22.911 1.179 10.974 1.00 0.00 H new ATOM 0 HA ASP A 53 20.310 1.188 12.012 1.00 0.00 H new ATOM 0 HB2 ASP A 53 21.386 2.031 9.731 1.00 0.00 H new ATOM 0 HB3 ASP A 53 20.947 0.444 9.130 1.00 0.00 H new ATOM 737 N ILE A 54 19.149 -1.069 11.511 1.00 0.00 N ATOM 738 CA ILE A 54 18.675 -2.482 11.529 1.00 0.00 C ATOM 739 C ILE A 54 17.291 -2.646 10.925 1.00 0.00 C ATOM 740 O ILE A 54 16.492 -1.729 10.908 1.00 0.00 O ATOM 741 CB ILE A 54 18.621 -2.962 12.981 1.00 0.00 C ATOM 742 CG1 ILE A 54 19.761 -2.353 13.778 1.00 0.00 C ATOM 743 CG2 ILE A 54 18.788 -4.488 12.990 1.00 0.00 C ATOM 744 CD1 ILE A 54 19.789 -2.986 15.172 1.00 0.00 C ATOM 0 H ILE A 54 18.435 -0.357 11.667 1.00 0.00 H new ATOM 0 HA ILE A 54 19.373 -3.067 10.930 1.00 0.00 H new ATOM 0 HB ILE A 54 17.671 -2.665 13.425 1.00 0.00 H new ATOM 0 HG12 ILE A 54 20.709 -2.523 13.268 1.00 0.00 H new ATOM 0 HG13 ILE A 54 19.630 -1.274 13.857 1.00 0.00 H new ATOM 0 HG21 ILE A 54 18.753 -4.852 14.017 1.00 0.00 H new ATOM 0 HG22 ILE A 54 17.983 -4.946 12.415 1.00 0.00 H new ATOM 0 HG23 ILE A 54 19.747 -4.752 12.545 1.00 0.00 H new ATOM 0 HD11 ILE A 54 20.605 -2.554 15.751 1.00 0.00 H new ATOM 0 HD12 ILE A 54 18.843 -2.793 15.678 1.00 0.00 H new ATOM 0 HD13 ILE A 54 19.939 -4.062 15.080 1.00 0.00 H new ATOM 756 N THR A 55 17.047 -3.835 10.445 1.00 0.00 N ATOM 757 CA THR A 55 15.743 -4.150 9.828 1.00 0.00 C ATOM 758 C THR A 55 15.236 -5.476 10.387 1.00 0.00 C ATOM 759 O THR A 55 15.838 -6.027 11.290 1.00 0.00 O ATOM 760 CB THR A 55 15.947 -4.268 8.313 1.00 0.00 C ATOM 761 OG1 THR A 55 14.763 -4.855 7.811 1.00 0.00 O ATOM 762 CG2 THR A 55 17.053 -5.281 7.980 1.00 0.00 C ATOM 0 H THR A 55 17.712 -4.609 10.458 1.00 0.00 H new ATOM 0 HA THR A 55 15.014 -3.369 10.045 1.00 0.00 H new ATOM 0 HB THR A 55 16.193 -3.288 7.904 1.00 0.00 H new ATOM 0 HG1 THR A 55 14.315 -4.224 7.209 1.00 0.00 H new ATOM 0 HG21 THR A 55 17.175 -5.344 6.899 1.00 0.00 H new ATOM 0 HG22 THR A 55 17.990 -4.958 8.433 1.00 0.00 H new ATOM 0 HG23 THR A 55 16.779 -6.261 8.371 1.00 0.00 H new ATOM 770 N ASP A 56 14.146 -5.966 9.850 1.00 0.00 N ATOM 771 CA ASP A 56 13.593 -7.260 10.349 1.00 0.00 C ATOM 772 C ASP A 56 13.534 -8.309 9.244 1.00 0.00 C ATOM 773 O ASP A 56 12.706 -9.196 9.280 1.00 0.00 O ATOM 774 CB ASP A 56 12.168 -7.001 10.855 1.00 0.00 C ATOM 775 CG ASP A 56 12.193 -5.851 11.862 1.00 0.00 C ATOM 776 OD1 ASP A 56 12.598 -4.778 11.447 1.00 0.00 O ATOM 777 OD2 ASP A 56 11.804 -6.110 12.989 1.00 0.00 O ATOM 0 H ASP A 56 13.620 -5.529 9.094 1.00 0.00 H new ATOM 0 HA ASP A 56 14.241 -7.637 11.140 1.00 0.00 H new ATOM 0 HB2 ASP A 56 11.512 -6.755 10.020 1.00 0.00 H new ATOM 0 HB3 ASP A 56 11.766 -7.900 11.322 1.00 0.00 H new ATOM 782 N PHE A 57 14.406 -8.196 8.278 1.00 0.00 N ATOM 783 CA PHE A 57 14.383 -9.201 7.179 1.00 0.00 C ATOM 784 C PHE A 57 15.672 -9.206 6.360 1.00 0.00 C ATOM 785 O PHE A 57 15.757 -9.879 5.353 1.00 0.00 O ATOM 786 CB PHE A 57 13.225 -8.858 6.240 1.00 0.00 C ATOM 787 CG PHE A 57 12.899 -7.368 6.347 1.00 0.00 C ATOM 788 CD1 PHE A 57 13.549 -6.447 5.543 1.00 0.00 C ATOM 789 CD2 PHE A 57 11.945 -6.922 7.243 1.00 0.00 C ATOM 790 CE1 PHE A 57 13.247 -5.104 5.636 1.00 0.00 C ATOM 791 CE2 PHE A 57 11.646 -5.578 7.334 1.00 0.00 C ATOM 792 CZ PHE A 57 12.297 -4.670 6.531 1.00 0.00 C ATOM 0 H PHE A 57 15.117 -7.469 8.203 1.00 0.00 H new ATOM 0 HA PHE A 57 14.270 -10.186 7.632 1.00 0.00 H new ATOM 0 HB2 PHE A 57 13.490 -9.109 5.213 1.00 0.00 H new ATOM 0 HB3 PHE A 57 12.348 -9.452 6.497 1.00 0.00 H new ATOM 0 HD1 PHE A 57 14.297 -6.782 4.839 1.00 0.00 H new ATOM 0 HD2 PHE A 57 11.431 -7.630 7.876 1.00 0.00 H new ATOM 0 HE1 PHE A 57 13.758 -4.392 5.005 1.00 0.00 H new ATOM 0 HE2 PHE A 57 10.900 -5.238 8.037 1.00 0.00 H new ATOM 0 HZ PHE A 57 12.062 -3.618 6.603 1.00 0.00 H new ATOM 802 N CYS A 58 16.654 -8.467 6.793 1.00 0.00 N ATOM 803 CA CYS A 58 17.924 -8.442 6.029 1.00 0.00 C ATOM 804 C CYS A 58 17.657 -8.060 4.581 1.00 0.00 C ATOM 805 O CYS A 58 17.213 -8.868 3.788 1.00 0.00 O ATOM 806 CB CYS A 58 18.556 -9.845 6.065 1.00 0.00 C ATOM 807 SG CYS A 58 20.219 -10.000 6.761 1.00 0.00 S ATOM 0 H CYS A 58 16.631 -7.887 7.632 1.00 0.00 H new ATOM 0 HA CYS A 58 18.596 -7.710 6.476 1.00 0.00 H new ATOM 0 HB2 CYS A 58 17.893 -10.497 6.633 1.00 0.00 H new ATOM 0 HB3 CYS A 58 18.582 -10.227 5.045 1.00 0.00 H new ATOM 812 N TYR A 59 17.915 -6.833 4.267 1.00 0.00 N ATOM 813 CA TYR A 59 17.682 -6.382 2.876 1.00 0.00 C ATOM 814 C TYR A 59 18.274 -7.377 1.885 1.00 0.00 C ATOM 815 O TYR A 59 18.924 -8.331 2.266 1.00 0.00 O ATOM 816 CB TYR A 59 18.361 -5.013 2.658 1.00 0.00 C ATOM 817 CG TYR A 59 18.036 -4.051 3.814 1.00 0.00 C ATOM 818 CD1 TYR A 59 16.739 -3.897 4.277 1.00 0.00 C ATOM 819 CD2 TYR A 59 19.041 -3.306 4.400 1.00 0.00 C ATOM 820 CE1 TYR A 59 16.461 -3.017 5.300 1.00 0.00 C ATOM 821 CE2 TYR A 59 18.758 -2.428 5.425 1.00 0.00 C ATOM 822 CZ TYR A 59 17.468 -2.277 5.882 1.00 0.00 C ATOM 823 OH TYR A 59 17.187 -1.400 6.911 1.00 0.00 O ATOM 0 H TYR A 59 18.275 -6.124 4.906 1.00 0.00 H new ATOM 0 HA TYR A 59 16.607 -6.305 2.715 1.00 0.00 H new ATOM 0 HB2 TYR A 59 19.440 -5.145 2.582 1.00 0.00 H new ATOM 0 HB3 TYR A 59 18.025 -4.582 1.715 1.00 0.00 H new ATOM 0 HD1 TYR A 59 15.940 -4.471 3.832 1.00 0.00 H new ATOM 0 HD2 TYR A 59 20.058 -3.412 4.052 1.00 0.00 H new ATOM 0 HE1 TYR A 59 15.445 -2.906 5.649 1.00 0.00 H new ATOM 0 HE2 TYR A 59 19.555 -1.854 5.873 1.00 0.00 H new ATOM 0 HH TYR A 59 18.014 -0.963 7.203 1.00 0.00 H new ATOM 833 N GLU A 60 18.040 -7.131 0.629 1.00 0.00 N ATOM 834 CA GLU A 60 18.575 -8.044 -0.410 1.00 0.00 C ATOM 835 C GLU A 60 19.991 -7.600 -0.838 1.00 0.00 C ATOM 836 O GLU A 60 20.378 -6.458 -0.625 1.00 0.00 O ATOM 837 CB GLU A 60 17.631 -7.951 -1.627 1.00 0.00 C ATOM 838 CG GLU A 60 16.643 -9.125 -1.600 1.00 0.00 C ATOM 839 CD GLU A 60 15.647 -8.972 -2.752 1.00 0.00 C ATOM 840 OE1 GLU A 60 14.682 -8.255 -2.542 1.00 0.00 O ATOM 841 OE2 GLU A 60 15.907 -9.581 -3.777 1.00 0.00 O ATOM 0 H GLU A 60 17.502 -6.338 0.279 1.00 0.00 H new ATOM 0 HA GLU A 60 18.634 -9.062 -0.024 1.00 0.00 H new ATOM 0 HB2 GLU A 60 17.089 -7.005 -1.609 1.00 0.00 H new ATOM 0 HB3 GLU A 60 18.209 -7.969 -2.551 1.00 0.00 H new ATOM 0 HG2 GLU A 60 17.180 -10.069 -1.691 1.00 0.00 H new ATOM 0 HG3 GLU A 60 16.114 -9.149 -0.647 1.00 0.00 H new ATOM 848 N PRO A 61 20.758 -8.515 -1.428 1.00 0.00 N ATOM 849 CA PRO A 61 22.108 -8.187 -1.869 1.00 0.00 C ATOM 850 C PRO A 61 22.078 -6.939 -2.733 1.00 0.00 C ATOM 851 O PRO A 61 21.204 -6.775 -3.557 1.00 0.00 O ATOM 852 CB PRO A 61 22.562 -9.404 -2.700 1.00 0.00 C ATOM 853 CG PRO A 61 21.460 -10.495 -2.565 1.00 0.00 C ATOM 854 CD PRO A 61 20.334 -9.901 -1.705 1.00 0.00 C ATOM 0 HA PRO A 61 22.782 -7.988 -1.036 1.00 0.00 H new ATOM 0 HB2 PRO A 61 22.701 -9.126 -3.745 1.00 0.00 H new ATOM 0 HB3 PRO A 61 23.520 -9.779 -2.340 1.00 0.00 H new ATOM 0 HG2 PRO A 61 21.083 -10.784 -3.546 1.00 0.00 H new ATOM 0 HG3 PRO A 61 21.864 -11.395 -2.101 1.00 0.00 H new ATOM 0 HD2 PRO A 61 19.380 -9.924 -2.232 1.00 0.00 H new ATOM 0 HD3 PRO A 61 20.202 -10.466 -0.782 1.00 0.00 H new ATOM 862 N CYS A 62 23.030 -6.083 -2.534 1.00 0.00 N ATOM 863 CA CYS A 62 23.057 -4.847 -3.340 1.00 0.00 C ATOM 864 C CYS A 62 23.660 -5.081 -4.708 1.00 0.00 C ATOM 865 O CYS A 62 24.138 -6.155 -5.017 1.00 0.00 O ATOM 866 CB CYS A 62 23.890 -3.792 -2.590 1.00 0.00 C ATOM 867 SG CYS A 62 23.492 -2.047 -2.888 1.00 0.00 S ATOM 0 H CYS A 62 23.784 -6.185 -1.854 1.00 0.00 H new ATOM 0 HA CYS A 62 22.032 -4.506 -3.484 1.00 0.00 H new ATOM 0 HB2 CYS A 62 23.791 -3.982 -1.521 1.00 0.00 H new ATOM 0 HB3 CYS A 62 24.938 -3.947 -2.846 1.00 0.00 H new ATOM 872 N LYS A 63 23.608 -4.058 -5.498 1.00 0.00 N ATOM 873 CA LYS A 63 24.161 -4.145 -6.875 1.00 0.00 C ATOM 874 C LYS A 63 24.934 -2.847 -7.226 1.00 0.00 C ATOM 875 O LYS A 63 24.319 -1.823 -7.450 1.00 0.00 O ATOM 876 CB LYS A 63 22.973 -4.267 -7.851 1.00 0.00 C ATOM 877 CG LYS A 63 22.245 -5.601 -7.627 1.00 0.00 C ATOM 878 CD LYS A 63 21.884 -6.198 -8.989 1.00 0.00 C ATOM 879 CE LYS A 63 20.894 -7.346 -8.793 1.00 0.00 C ATOM 880 NZ LYS A 63 21.077 -8.374 -9.856 1.00 0.00 N ATOM 0 H LYS A 63 23.203 -3.155 -5.251 1.00 0.00 H new ATOM 0 HA LYS A 63 24.835 -4.999 -6.945 1.00 0.00 H new ATOM 0 HB2 LYS A 63 22.283 -3.437 -7.702 1.00 0.00 H new ATOM 0 HB3 LYS A 63 23.329 -4.205 -8.880 1.00 0.00 H new ATOM 0 HG2 LYS A 63 22.880 -6.289 -7.069 1.00 0.00 H new ATOM 0 HG3 LYS A 63 21.345 -5.445 -7.032 1.00 0.00 H new ATOM 0 HD2 LYS A 63 21.448 -5.432 -9.630 1.00 0.00 H new ATOM 0 HD3 LYS A 63 22.782 -6.559 -9.490 1.00 0.00 H new ATOM 0 HE2 LYS A 63 21.040 -7.798 -7.812 1.00 0.00 H new ATOM 0 HE3 LYS A 63 19.874 -6.964 -8.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 20.398 -9.148 -9.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 20.915 -7.942 -10.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 22.046 -8.750 -9.812 1.00 0.00 H new ATOM 894 N PRO A 64 26.273 -2.892 -7.277 1.00 0.00 N ATOM 895 CA PRO A 64 27.044 -1.692 -7.603 1.00 0.00 C ATOM 896 C PRO A 64 26.751 -1.216 -9.021 1.00 0.00 C ATOM 897 O PRO A 64 27.166 -1.830 -9.984 1.00 0.00 O ATOM 898 CB PRO A 64 28.521 -2.120 -7.490 1.00 0.00 C ATOM 899 CG PRO A 64 28.545 -3.628 -7.116 1.00 0.00 C ATOM 900 CD PRO A 64 27.088 -4.102 -7.028 1.00 0.00 C ATOM 0 HA PRO A 64 26.793 -0.867 -6.937 1.00 0.00 H new ATOM 0 HB2 PRO A 64 29.042 -1.951 -8.432 1.00 0.00 H new ATOM 0 HB3 PRO A 64 29.034 -1.529 -6.731 1.00 0.00 H new ATOM 0 HG2 PRO A 64 29.090 -4.201 -7.866 1.00 0.00 H new ATOM 0 HG3 PRO A 64 29.056 -3.780 -6.165 1.00 0.00 H new ATOM 0 HD2 PRO A 64 26.880 -4.876 -7.767 1.00 0.00 H new ATOM 0 HD3 PRO A 64 26.871 -4.529 -6.049 1.00 0.00 H new ATOM 908 N SER A 65 26.037 -0.128 -9.123 1.00 0.00 N ATOM 909 CA SER A 65 25.704 0.406 -10.466 1.00 0.00 C ATOM 910 C SER A 65 26.960 0.845 -11.210 1.00 0.00 C ATOM 911 O SER A 65 27.978 1.122 -10.609 1.00 0.00 O ATOM 912 CB SER A 65 24.786 1.622 -10.287 1.00 0.00 C ATOM 913 OG SER A 65 25.429 2.655 -11.019 1.00 0.00 O ATOM 0 H SER A 65 25.673 0.409 -8.336 1.00 0.00 H new ATOM 0 HA SER A 65 25.215 -0.377 -11.046 1.00 0.00 H new ATOM 0 HB2 SER A 65 23.785 1.425 -10.671 1.00 0.00 H new ATOM 0 HB3 SER A 65 24.677 1.887 -9.235 1.00 0.00 H new ATOM 0 HG SER A 65 24.900 3.478 -10.957 1.00 0.00 H new ATOM 919 N GLU A 66 26.861 0.897 -12.511 1.00 0.00 N ATOM 920 CA GLU A 66 28.033 1.315 -13.319 1.00 0.00 C ATOM 921 C GLU A 66 28.203 2.830 -13.287 1.00 0.00 C ATOM 922 O GLU A 66 27.824 3.518 -14.213 1.00 0.00 O ATOM 923 CB GLU A 66 27.792 0.878 -14.772 1.00 0.00 C ATOM 924 CG GLU A 66 29.074 1.088 -15.582 1.00 0.00 C ATOM 925 CD GLU A 66 28.852 0.600 -17.016 1.00 0.00 C ATOM 926 OE1 GLU A 66 28.353 -0.506 -17.141 1.00 0.00 O ATOM 927 OE2 GLU A 66 29.192 1.363 -17.906 1.00 0.00 O ATOM 0 H GLU A 66 26.022 0.669 -13.044 1.00 0.00 H new ATOM 0 HA GLU A 66 28.932 0.855 -12.910 1.00 0.00 H new ATOM 0 HB2 GLU A 66 27.495 -0.170 -14.804 1.00 0.00 H new ATOM 0 HB3 GLU A 66 26.975 1.454 -15.207 1.00 0.00 H new ATOM 0 HG2 GLU A 66 29.349 2.143 -15.583 1.00 0.00 H new ATOM 0 HG3 GLU A 66 29.900 0.544 -15.124 1.00 0.00 H new ATOM 934 N ASP A 67 28.768 3.326 -12.220 1.00 0.00 N ATOM 935 CA ASP A 67 28.967 4.794 -12.120 1.00 0.00 C ATOM 936 C ASP A 67 30.306 5.198 -12.727 1.00 0.00 C ATOM 937 O ASP A 67 31.083 5.899 -12.110 1.00 0.00 O ATOM 938 CB ASP A 67 28.954 5.190 -10.636 1.00 0.00 C ATOM 939 CG ASP A 67 28.908 6.716 -10.522 1.00 0.00 C ATOM 940 OD1 ASP A 67 28.741 7.332 -11.563 1.00 0.00 O ATOM 941 OD2 ASP A 67 29.043 7.179 -9.402 1.00 0.00 O ATOM 0 H ASP A 67 29.097 2.782 -11.422 1.00 0.00 H new ATOM 0 HA ASP A 67 28.169 5.300 -12.663 1.00 0.00 H new ATOM 0 HB2 ASP A 67 28.090 4.750 -10.138 1.00 0.00 H new ATOM 0 HB3 ASP A 67 29.842 4.803 -10.136 1.00 0.00 H new ATOM 946 N ASP A 68 30.548 4.745 -13.927 1.00 0.00 N ATOM 947 CA ASP A 68 31.828 5.089 -14.594 1.00 0.00 C ATOM 948 C ASP A 68 31.653 6.296 -15.507 1.00 0.00 C ATOM 949 O ASP A 68 32.367 7.271 -15.396 1.00 0.00 O ATOM 950 CB ASP A 68 32.267 3.890 -15.447 1.00 0.00 C ATOM 951 CG ASP A 68 32.601 2.712 -14.531 1.00 0.00 C ATOM 952 OD1 ASP A 68 31.918 2.596 -13.526 1.00 0.00 O ATOM 953 OD2 ASP A 68 33.520 1.994 -14.887 1.00 0.00 O ATOM 0 H ASP A 68 29.916 4.155 -14.469 1.00 0.00 H new ATOM 0 HA ASP A 68 32.573 5.326 -13.834 1.00 0.00 H new ATOM 0 HB2 ASP A 68 31.473 3.612 -16.140 1.00 0.00 H new ATOM 0 HB3 ASP A 68 33.137 4.156 -16.048 1.00 0.00 H new ATOM 958 N LYS A 69 30.700 6.206 -16.395 1.00 0.00 N ATOM 959 CA LYS A 69 30.463 7.338 -17.323 1.00 0.00 C ATOM 960 C LYS A 69 29.548 8.377 -16.686 1.00 0.00 C ATOM 961 O LYS A 69 28.382 8.470 -17.013 1.00 0.00 O ATOM 962 CB LYS A 69 29.793 6.791 -18.593 1.00 0.00 C ATOM 963 CG LYS A 69 30.740 5.783 -19.260 1.00 0.00 C ATOM 964 CD LYS A 69 30.003 4.461 -19.503 1.00 0.00 C ATOM 965 CE LYS A 69 31.003 3.419 -20.010 1.00 0.00 C ATOM 966 NZ LYS A 69 30.530 2.816 -21.287 1.00 0.00 N ATOM 0 H LYS A 69 30.082 5.403 -16.514 1.00 0.00 H new ATOM 0 HA LYS A 69 31.415 7.813 -17.559 1.00 0.00 H new ATOM 0 HB2 LYS A 69 28.847 6.311 -18.343 1.00 0.00 H new ATOM 0 HB3 LYS A 69 29.565 7.606 -19.280 1.00 0.00 H new ATOM 0 HG2 LYS A 69 31.107 6.185 -20.205 1.00 0.00 H new ATOM 0 HG3 LYS A 69 31.611 5.614 -18.626 1.00 0.00 H new ATOM 0 HD2 LYS A 69 29.535 4.116 -18.581 1.00 0.00 H new ATOM 0 HD3 LYS A 69 29.205 4.603 -20.232 1.00 0.00 H new ATOM 0 HE2 LYS A 69 31.977 3.885 -20.160 1.00 0.00 H new ATOM 0 HE3 LYS A 69 31.135 2.639 -19.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 31.221 2.112 -21.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 29.611 2.354 -21.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 30.427 3.561 -22.005 1.00 0.00 H new ATOM 980 N GLU A 70 30.100 9.138 -15.778 1.00 0.00 N ATOM 981 CA GLU A 70 29.290 10.181 -15.100 1.00 0.00 C ATOM 982 C GLU A 70 28.010 9.589 -14.504 1.00 0.00 C ATOM 983 O GLU A 70 28.009 9.118 -13.384 1.00 0.00 O ATOM 984 CB GLU A 70 28.927 11.257 -16.139 1.00 0.00 C ATOM 985 CG GLU A 70 28.126 12.370 -15.454 1.00 0.00 C ATOM 986 CD GLU A 70 27.992 13.563 -16.406 1.00 0.00 C ATOM 987 OE1 GLU A 70 28.761 13.592 -17.353 1.00 0.00 O ATOM 988 OE2 GLU A 70 27.126 14.377 -16.133 1.00 0.00 O ATOM 0 H GLU A 70 31.074 9.080 -15.480 1.00 0.00 H new ATOM 0 HA GLU A 70 29.869 10.611 -14.283 1.00 0.00 H new ATOM 0 HB2 GLU A 70 29.832 11.667 -16.587 1.00 0.00 H new ATOM 0 HB3 GLU A 70 28.343 10.817 -16.947 1.00 0.00 H new ATOM 0 HG2 GLU A 70 27.139 12.002 -15.173 1.00 0.00 H new ATOM 0 HG3 GLU A 70 28.624 12.679 -14.535 1.00 0.00 H new ATOM 995 N ASN A 71 26.943 9.623 -15.258 1.00 0.00 N ATOM 996 CA ASN A 71 25.668 9.065 -14.740 1.00 0.00 C ATOM 997 C ASN A 71 25.373 9.596 -13.341 1.00 0.00 C ATOM 998 O ASN A 71 25.783 10.718 -13.090 1.00 0.00 O ATOM 999 CB ASN A 71 25.800 7.537 -14.672 1.00 0.00 C ATOM 1000 CG ASN A 71 26.202 7.004 -16.049 1.00 0.00 C ATOM 1001 OD1 ASN A 71 25.796 7.635 -17.116 1.00 0.00 O flip ATOM 1002 ND2 ASN A 71 26.887 6.007 -16.165 1.00 0.00 N flip ATOM 1003 OXT ASN A 71 24.752 8.852 -12.599 1.00 0.00 O ATOM 0 H ASN A 71 26.902 10.010 -16.201 1.00 0.00 H new ATOM 0 HA ASN A 71 24.855 9.359 -15.403 1.00 0.00 H new ATOM 0 HB2 ASN A 71 26.547 7.257 -13.929 1.00 0.00 H new ATOM 0 HB3 ASN A 71 24.856 7.092 -14.358 1.00 0.00 H new ATOM 0 HD21 ASN A 71 27.208 5.509 -15.335 1.00 0.00 H new ATOM 0 HD22 ASN A 71 27.141 5.668 -17.093 1.00 0.00 H new TER 1010 ASN A 71