USER MOD reduce.3.24.130724 H: found=0, std=0, add=860, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 860 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 7 ASN : amide:sc= -0.0436 K(o=1.4,f=-2!) USER MOD Set 1.2: B 3 U O2' : rot -40:sc= 1.48 USER MOD Set 2.1: A 83 ASN : amide:sc= 0.739! C(o=2.4!,f=-9.1!) USER MOD Set 2.2: A 89 LYS NZ :NH3+ 149:sc= 1.66 (180deg=0.424) USER MOD Set 3.1: A 59 ASN : amide:sc= -1.24 K(o=-1.5,f=-6.7!) USER MOD Set 3.2: A 62 ASN : amide:sc= -0.227 K(o=-1.5,f=-4.4) USER MOD Set 4.1: A 4 ASN : amide:sc= 0.758 K(o=0.38,f=-6.5!) USER MOD Set 4.2: A 30 LYS NZ :NH3+ 169:sc= 0.945 (180deg=0) USER MOD Set 4.3: A 47 SER OG : rot -104:sc= 0.125 USER MOD Set 4.4: A 49 HIS : no HD1:sc= -1.45 X(o=0.38,f=0.55) USER MOD Set 5.1: A 39 LYS NZ :NH3+ -147:sc= 0.188 (180deg=-0.078) USER MOD Set 5.2: A 40 TYR OH : rot -85:sc= 0.166 USER MOD Set 6.1: A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 6.2: A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot 83:sc= 1.18 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 15 ASN : amide:sc=-0.00064 X(o=-0.00064,f=0) USER MOD Single : A 16 SER OG : rot 84:sc= 0.668 USER MOD Single : A 22 ASN : amide:sc= 0.992 K(o=0.99,f=-1.9!) USER MOD Single : A 24 ASN : amide:sc= -1.01 X(o=-1,f=-0.67) USER MOD Single : A 25 THR OG1 : rot -10:sc= 1 USER MOD Single : A 29 LYS NZ :NH3+ 177:sc= 0.901 (180deg=0.894) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 CYS SG : rot 33:sc= -0.413 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= 1.01 K(o=1,f=-3.5!) USER MOD Single : A 57 TYR OH : rot -11:sc= 0.305 USER MOD Single : A 74 MET CE :methyl 164:sc= -1.16 (180deg=-1.22) USER MOD Single : A 78 GLN :FLIP amide:sc= -0.0924 F(o=-0.84,f=-0.092) USER MOD Single : A 91 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 104 MET CE :methyl 165:sc= -0.0388 (180deg=-0.361) USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : B 1 U O2' : rot -63:sc= 0.903 USER MOD Single : B 1 U O5' : rot -76:sc= 0.887 USER MOD Single : B 2 U O2' : rot 17:sc= 0.14 USER MOD Single : B 4 U O2' : rot 145:sc= 0.454 USER MOD Single : B 5 C O2' : rot 177:sc= 0 USER MOD Single : B 5 C O3' : rot 141:sc= 0.0972 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 2 10.876 8.030 -5.660 1.00 0.00 N ATOM 2 CA ALA A 2 9.739 8.768 -5.083 1.00 0.00 C ATOM 3 C ALA A 2 10.095 9.321 -3.704 1.00 0.00 C ATOM 4 O ALA A 2 11.107 8.934 -3.119 1.00 0.00 O ATOM 5 CB ALA A 2 8.498 7.875 -5.008 1.00 0.00 C ATOM 0 HA ALA A 2 9.513 9.611 -5.736 1.00 0.00 H new ATOM 0 HB1 ALA A 2 7.670 8.439 -4.579 1.00 0.00 H new ATOM 0 HB2 ALA A 2 8.229 7.541 -6.010 1.00 0.00 H new ATOM 0 HB3 ALA A 2 8.710 7.009 -4.381 1.00 0.00 H new ATOM 13 N SER A 3 9.264 10.227 -3.180 1.00 0.00 N ATOM 14 CA SER A 3 9.485 10.847 -1.878 1.00 0.00 C ATOM 15 C SER A 3 9.306 9.838 -0.745 1.00 0.00 C ATOM 16 O SER A 3 8.670 8.802 -0.922 1.00 0.00 O ATOM 17 CB SER A 3 8.525 12.023 -1.702 1.00 0.00 C ATOM 18 OG SER A 3 8.715 12.953 -2.745 1.00 0.00 O ATOM 0 H SER A 3 8.418 10.549 -3.651 1.00 0.00 H new ATOM 0 HA SER A 3 10.512 11.209 -1.837 1.00 0.00 H new ATOM 0 HB2 SER A 3 7.495 11.667 -1.703 1.00 0.00 H new ATOM 0 HB3 SER A 3 8.696 12.503 -0.738 1.00 0.00 H new ATOM 0 HG SER A 3 8.097 13.705 -2.630 1.00 0.00 H new ATOM 24 N ASN A 4 9.867 10.144 0.427 1.00 0.00 N ATOM 25 CA ASN A 4 9.800 9.276 1.596 1.00 0.00 C ATOM 26 C ASN A 4 8.495 9.497 2.370 1.00 0.00 C ATOM 27 O ASN A 4 8.251 8.846 3.385 1.00 0.00 O ATOM 28 CB ASN A 4 11.033 9.551 2.461 1.00 0.00 C ATOM 29 CG ASN A 4 11.234 8.532 3.574 1.00 0.00 C ATOM 30 OD1 ASN A 4 10.699 7.428 3.544 1.00 0.00 O ATOM 31 ND2 ASN A 4 12.021 8.904 4.578 1.00 0.00 N ATOM 0 H ASN A 4 10.384 11.009 0.589 1.00 0.00 H new ATOM 0 HA ASN A 4 9.800 8.229 1.291 1.00 0.00 H new ATOM 0 HB2 ASN A 4 11.918 9.562 1.825 1.00 0.00 H new ATOM 0 HB3 ASN A 4 10.944 10.544 2.901 1.00 0.00 H new ATOM 0 HD21 ASN A 4 12.195 8.265 5.353 1.00 0.00 H new ATOM 0 HD22 ASN A 4 12.451 9.829 4.573 1.00 0.00 H new ATOM 38 N VAL A 5 7.648 10.420 1.899 1.00 0.00 N ATOM 39 CA VAL A 5 6.425 10.796 2.592 1.00 0.00 C ATOM 40 C VAL A 5 5.235 9.968 2.111 1.00 0.00 C ATOM 41 O VAL A 5 5.027 9.805 0.910 1.00 0.00 O ATOM 42 CB VAL A 5 6.184 12.298 2.420 1.00 0.00 C ATOM 43 CG1 VAL A 5 4.871 12.722 3.079 1.00 0.00 C ATOM 44 CG2 VAL A 5 7.324 13.081 3.072 1.00 0.00 C ATOM 0 H VAL A 5 7.798 10.924 1.025 1.00 0.00 H new ATOM 0 HA VAL A 5 6.538 10.583 3.655 1.00 0.00 H new ATOM 0 HB VAL A 5 6.135 12.509 1.352 1.00 0.00 H new ATOM 0 HG11 VAL A 5 4.724 13.793 2.942 1.00 0.00 H new ATOM 0 HG12 VAL A 5 4.043 12.181 2.621 1.00 0.00 H new ATOM 0 HG13 VAL A 5 4.908 12.494 4.144 1.00 0.00 H new ATOM 0 HG21 VAL A 5 7.149 14.150 2.948 1.00 0.00 H new ATOM 0 HG22 VAL A 5 7.369 12.842 4.135 1.00 0.00 H new ATOM 0 HG23 VAL A 5 8.268 12.810 2.599 1.00 0.00 H new ATOM 54 N THR A 6 4.458 9.449 3.066 1.00 0.00 N ATOM 55 CA THR A 6 3.271 8.648 2.794 1.00 0.00 C ATOM 56 C THR A 6 2.190 8.869 3.850 1.00 0.00 C ATOM 57 O THR A 6 1.169 8.190 3.818 1.00 0.00 O ATOM 58 CB THR A 6 3.614 7.155 2.726 1.00 0.00 C ATOM 59 OG1 THR A 6 4.244 6.739 3.918 1.00 0.00 O ATOM 60 CG2 THR A 6 4.536 6.820 1.556 1.00 0.00 C ATOM 0 H THR A 6 4.642 9.578 4.061 1.00 0.00 H new ATOM 0 HA THR A 6 2.888 8.972 1.826 1.00 0.00 H new ATOM 0 HB THR A 6 2.669 6.630 2.586 1.00 0.00 H new ATOM 0 HG1 THR A 6 3.564 6.541 4.595 1.00 0.00 H new ATOM 0 HG21 THR A 6 4.747 5.751 1.554 1.00 0.00 H new ATOM 0 HG22 THR A 6 4.051 7.096 0.620 1.00 0.00 H new ATOM 0 HG23 THR A 6 5.469 7.374 1.658 1.00 0.00 H new ATOM 68 N ASN A 7 2.377 9.799 4.789 1.00 0.00 N ATOM 69 CA ASN A 7 1.394 10.021 5.839 1.00 0.00 C ATOM 70 C ASN A 7 0.691 11.364 5.653 1.00 0.00 C ATOM 71 O ASN A 7 1.229 12.412 6.005 1.00 0.00 O ATOM 72 CB ASN A 7 2.066 9.897 7.209 1.00 0.00 C ATOM 73 CG ASN A 7 1.063 9.941 8.351 1.00 0.00 C ATOM 74 OD1 ASN A 7 -0.114 10.228 8.159 1.00 0.00 O ATOM 75 ND2 ASN A 7 1.529 9.652 9.558 1.00 0.00 N ATOM 0 H ASN A 7 3.196 10.404 4.840 1.00 0.00 H new ATOM 0 HA ASN A 7 0.620 9.256 5.778 1.00 0.00 H new ATOM 0 HB2 ASN A 7 2.624 8.961 7.254 1.00 0.00 H new ATOM 0 HB3 ASN A 7 2.788 10.704 7.331 1.00 0.00 H new ATOM 0 HD21 ASN A 7 0.903 9.664 10.363 1.00 0.00 H new ATOM 0 HD22 ASN A 7 2.514 9.418 9.682 1.00 0.00 H new ATOM 82 N LYS A 8 -0.525 11.311 5.097 1.00 0.00 N ATOM 83 CA LYS A 8 -1.398 12.464 4.920 1.00 0.00 C ATOM 84 C LYS A 8 -2.845 12.031 5.142 1.00 0.00 C ATOM 85 O LYS A 8 -3.200 10.894 4.827 1.00 0.00 O ATOM 86 CB LYS A 8 -1.219 13.065 3.523 1.00 0.00 C ATOM 87 CG LYS A 8 0.176 13.679 3.374 1.00 0.00 C ATOM 88 CD LYS A 8 0.279 14.503 2.089 1.00 0.00 C ATOM 89 CE LYS A 8 0.083 13.627 0.852 1.00 0.00 C ATOM 90 NZ LYS A 8 0.181 14.427 -0.386 1.00 0.00 N ATOM 0 H LYS A 8 -0.933 10.442 4.752 1.00 0.00 H new ATOM 0 HA LYS A 8 -1.137 13.233 5.647 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -1.365 12.293 2.768 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -1.978 13.828 3.350 1.00 0.00 H new ATOM 0 HG2 LYS A 8 0.392 14.312 4.234 1.00 0.00 H new ATOM 0 HG3 LYS A 8 0.926 12.888 3.364 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -0.471 15.294 2.100 1.00 0.00 H new ATOM 0 HD3 LYS A 8 1.254 14.989 2.043 1.00 0.00 H new ATOM 0 HE2 LYS A 8 0.834 12.837 0.839 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -0.891 13.140 0.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 0.044 13.808 -1.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -0.552 15.165 -0.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 1.120 14.872 -0.439 1.00 0.00 H new ATOM 104 N THR A 9 -3.670 12.927 5.678 1.00 0.00 N ATOM 105 CA THR A 9 -5.049 12.614 6.041 1.00 0.00 C ATOM 106 C THR A 9 -6.051 13.430 5.227 1.00 0.00 C ATOM 107 O THR A 9 -7.225 13.515 5.596 1.00 0.00 O ATOM 108 CB THR A 9 -5.254 12.795 7.545 1.00 0.00 C ATOM 109 OG1 THR A 9 -4.901 14.111 7.919 1.00 0.00 O ATOM 110 CG2 THR A 9 -4.386 11.802 8.322 1.00 0.00 C ATOM 0 H THR A 9 -3.401 13.891 5.873 1.00 0.00 H new ATOM 0 HA THR A 9 -5.235 11.568 5.797 1.00 0.00 H new ATOM 0 HB THR A 9 -6.303 12.614 7.778 1.00 0.00 H new ATOM 0 HG1 THR A 9 -5.035 14.224 8.883 1.00 0.00 H new ATOM 0 HG21 THR A 9 -4.542 11.942 9.392 1.00 0.00 H new ATOM 0 HG22 THR A 9 -4.661 10.784 8.045 1.00 0.00 H new ATOM 0 HG23 THR A 9 -3.336 11.972 8.083 1.00 0.00 H new ATOM 118 N ASP A 10 -5.601 14.032 4.123 1.00 0.00 N ATOM 119 CA ASP A 10 -6.474 14.792 3.238 1.00 0.00 C ATOM 120 C ASP A 10 -7.540 13.874 2.633 1.00 0.00 C ATOM 121 O ASP A 10 -7.290 12.679 2.460 1.00 0.00 O ATOM 122 CB ASP A 10 -5.635 15.459 2.144 1.00 0.00 C ATOM 123 CG ASP A 10 -4.653 16.462 2.743 1.00 0.00 C ATOM 124 OD1 ASP A 10 -5.053 17.636 2.907 1.00 0.00 O ATOM 125 OD2 ASP A 10 -3.506 16.053 3.031 1.00 0.00 O ATOM 0 H ASP A 10 -4.627 14.004 3.823 1.00 0.00 H new ATOM 0 HA ASP A 10 -6.985 15.569 3.807 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -5.089 14.699 1.585 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -6.291 15.965 1.436 1.00 0.00 H new ATOM 130 N PRO A 11 -8.725 14.410 2.305 1.00 0.00 N ATOM 131 CA PRO A 11 -9.876 13.642 1.851 1.00 0.00 C ATOM 132 C PRO A 11 -9.668 12.989 0.484 1.00 0.00 C ATOM 133 O PRO A 11 -10.575 12.335 -0.027 1.00 0.00 O ATOM 134 CB PRO A 11 -11.034 14.643 1.820 1.00 0.00 C ATOM 135 CG PRO A 11 -10.337 15.979 1.569 1.00 0.00 C ATOM 136 CD PRO A 11 -9.049 15.824 2.371 1.00 0.00 C ATOM 0 HA PRO A 11 -10.065 12.803 2.521 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -11.748 14.407 1.031 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -11.587 14.648 2.759 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -10.140 16.143 0.510 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -10.934 16.822 1.916 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -8.248 16.431 1.950 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -9.186 16.148 3.402 1.00 0.00 H new ATOM 144 N ARG A 12 -8.487 13.151 -0.118 1.00 0.00 N ATOM 145 CA ARG A 12 -8.172 12.539 -1.403 1.00 0.00 C ATOM 146 C ARG A 12 -6.826 11.827 -1.339 1.00 0.00 C ATOM 147 O ARG A 12 -6.658 10.777 -1.949 1.00 0.00 O ATOM 148 CB ARG A 12 -8.194 13.634 -2.476 1.00 0.00 C ATOM 149 CG ARG A 12 -8.725 13.133 -3.823 1.00 0.00 C ATOM 150 CD ARG A 12 -7.801 12.126 -4.512 1.00 0.00 C ATOM 151 NE ARG A 12 -6.453 12.671 -4.714 1.00 0.00 N ATOM 152 CZ ARG A 12 -6.127 13.556 -5.659 1.00 0.00 C ATOM 153 NH1 ARG A 12 -7.039 14.005 -6.518 1.00 0.00 N ATOM 154 NH2 ARG A 12 -4.878 14.002 -5.747 1.00 0.00 N ATOM 0 H ARG A 12 -7.728 13.709 0.273 1.00 0.00 H new ATOM 0 HA ARG A 12 -8.913 11.782 -1.657 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -8.814 14.462 -2.131 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -7.186 14.025 -2.611 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -9.701 12.672 -3.670 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -8.876 13.986 -4.484 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -7.740 11.219 -3.911 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -8.226 11.842 -5.475 1.00 0.00 H new ATOM 0 HE ARG A 12 -5.714 12.351 -4.089 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -8.002 13.673 -6.460 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -6.775 14.681 -7.235 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -4.170 13.668 -5.093 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -4.628 14.678 -6.468 1.00 0.00 H new ATOM 168 N SER A 13 -5.859 12.379 -0.602 1.00 0.00 N ATOM 169 CA SER A 13 -4.537 11.772 -0.505 1.00 0.00 C ATOM 170 C SER A 13 -4.571 10.494 0.328 1.00 0.00 C ATOM 171 O SER A 13 -3.751 9.605 0.116 1.00 0.00 O ATOM 172 CB SER A 13 -3.555 12.766 0.104 1.00 0.00 C ATOM 173 OG SER A 13 -3.554 13.964 -0.644 1.00 0.00 O ATOM 0 H SER A 13 -5.969 13.241 -0.068 1.00 0.00 H new ATOM 0 HA SER A 13 -4.211 11.508 -1.511 1.00 0.00 H new ATOM 0 HB2 SER A 13 -3.829 12.974 1.138 1.00 0.00 H new ATOM 0 HB3 SER A 13 -2.553 12.337 0.120 1.00 0.00 H new ATOM 0 HG SER A 13 -2.922 14.598 -0.245 1.00 0.00 H new ATOM 179 N MET A 14 -5.512 10.383 1.271 1.00 0.00 N ATOM 180 CA MET A 14 -5.663 9.177 2.070 1.00 0.00 C ATOM 181 C MET A 14 -6.350 8.077 1.260 1.00 0.00 C ATOM 182 O MET A 14 -6.218 6.898 1.588 1.00 0.00 O ATOM 183 CB MET A 14 -6.429 9.540 3.343 1.00 0.00 C ATOM 184 CG MET A 14 -7.063 8.309 3.974 1.00 0.00 C ATOM 185 SD MET A 14 -7.697 8.559 5.651 1.00 0.00 S ATOM 186 CE MET A 14 -6.195 8.117 6.556 1.00 0.00 C ATOM 0 H MET A 14 -6.180 11.121 1.495 1.00 0.00 H new ATOM 0 HA MET A 14 -4.689 8.778 2.354 1.00 0.00 H new ATOM 0 HB2 MET A 14 -5.752 10.010 4.056 1.00 0.00 H new ATOM 0 HB3 MET A 14 -7.203 10.271 3.109 1.00 0.00 H new ATOM 0 HG2 MET A 14 -7.881 7.972 3.338 1.00 0.00 H new ATOM 0 HG3 MET A 14 -6.325 7.507 3.995 1.00 0.00 H new ATOM 0 HE1 MET A 14 -6.376 8.207 7.627 1.00 0.00 H new ATOM 0 HE2 MET A 14 -5.917 7.090 6.320 1.00 0.00 H new ATOM 0 HE3 MET A 14 -5.386 8.788 6.267 1.00 0.00 H new ATOM 196 N ASN A 15 -7.081 8.448 0.207 1.00 0.00 N ATOM 197 CA ASN A 15 -7.742 7.474 -0.653 1.00 0.00 C ATOM 198 C ASN A 15 -6.848 7.110 -1.841 1.00 0.00 C ATOM 199 O ASN A 15 -7.096 6.120 -2.523 1.00 0.00 O ATOM 200 CB ASN A 15 -9.103 8.017 -1.090 1.00 0.00 C ATOM 201 CG ASN A 15 -10.058 8.099 0.092 1.00 0.00 C ATOM 202 OD1 ASN A 15 -10.846 7.189 0.326 1.00 0.00 O ATOM 203 ND2 ASN A 15 -10.004 9.192 0.850 1.00 0.00 N ATOM 0 H ASN A 15 -7.228 9.419 -0.068 1.00 0.00 H new ATOM 0 HA ASN A 15 -7.915 6.552 -0.099 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -8.980 9.005 -1.533 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -9.526 7.373 -1.861 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -10.629 9.289 1.650 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -9.338 9.932 0.630 1.00 0.00 H new ATOM 210 N SER A 16 -5.805 7.910 -2.084 1.00 0.00 N ATOM 211 CA SER A 16 -4.810 7.647 -3.113 1.00 0.00 C ATOM 212 C SER A 16 -3.606 6.888 -2.553 1.00 0.00 C ATOM 213 O SER A 16 -2.605 6.716 -3.247 1.00 0.00 O ATOM 214 CB SER A 16 -4.378 8.963 -3.759 1.00 0.00 C ATOM 215 OG SER A 16 -5.513 9.699 -4.156 1.00 0.00 O ATOM 0 H SER A 16 -5.631 8.768 -1.561 1.00 0.00 H new ATOM 0 HA SER A 16 -5.261 7.009 -3.873 1.00 0.00 H new ATOM 0 HB2 SER A 16 -3.784 9.546 -3.055 1.00 0.00 H new ATOM 0 HB3 SER A 16 -3.743 8.763 -4.622 1.00 0.00 H new ATOM 0 HG SER A 16 -5.855 10.209 -3.393 1.00 0.00 H new ATOM 221 N ARG A 17 -3.688 6.431 -1.298 1.00 0.00 N ATOM 222 CA ARG A 17 -2.615 5.703 -0.633 1.00 0.00 C ATOM 223 C ARG A 17 -2.953 4.217 -0.550 1.00 0.00 C ATOM 224 O ARG A 17 -4.126 3.849 -0.522 1.00 0.00 O ATOM 225 CB ARG A 17 -2.395 6.292 0.760 1.00 0.00 C ATOM 226 CG ARG A 17 -1.157 5.658 1.401 1.00 0.00 C ATOM 227 CD ARG A 17 -0.631 6.506 2.549 1.00 0.00 C ATOM 228 NE ARG A 17 -1.647 6.771 3.570 1.00 0.00 N ATOM 229 CZ ARG A 17 -2.233 7.959 3.752 1.00 0.00 C ATOM 230 NH1 ARG A 17 -1.985 8.984 2.942 1.00 0.00 N ATOM 231 NH2 ARG A 17 -3.083 8.127 4.756 1.00 0.00 N ATOM 0 H ARG A 17 -4.514 6.561 -0.713 1.00 0.00 H new ATOM 0 HA ARG A 17 -1.695 5.803 -1.209 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -2.268 7.372 0.692 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -3.271 6.113 1.383 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -1.405 4.661 1.766 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -0.377 5.537 0.649 1.00 0.00 H new ATOM 0 HD2 ARG A 17 0.217 6.000 3.010 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -0.262 7.453 2.156 1.00 0.00 H new ATOM 0 HE ARG A 17 -1.925 6.002 4.180 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -1.336 8.873 2.163 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -2.444 9.881 3.100 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -3.288 7.351 5.386 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -3.532 9.032 4.898 1.00 0.00 H new ATOM 245 N VAL A 18 -1.923 3.375 -0.508 1.00 0.00 N ATOM 246 CA VAL A 18 -2.076 1.937 -0.376 1.00 0.00 C ATOM 247 C VAL A 18 -1.205 1.424 0.758 1.00 0.00 C ATOM 248 O VAL A 18 -0.024 1.763 0.852 1.00 0.00 O ATOM 249 CB VAL A 18 -1.727 1.235 -1.691 1.00 0.00 C ATOM 250 CG1 VAL A 18 -1.894 -0.277 -1.553 1.00 0.00 C ATOM 251 CG2 VAL A 18 -2.655 1.731 -2.797 1.00 0.00 C ATOM 0 H VAL A 18 -0.951 3.680 -0.566 1.00 0.00 H new ATOM 0 HA VAL A 18 -3.117 1.714 -0.142 1.00 0.00 H new ATOM 0 HB VAL A 18 -0.690 1.462 -1.938 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -1.641 -0.759 -2.498 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -1.233 -0.646 -0.769 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -2.927 -0.507 -1.294 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -2.406 1.231 -3.733 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -3.689 1.510 -2.531 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -2.534 2.808 -2.918 1.00 0.00 H new ATOM 261 N PHE A 19 -1.802 0.597 1.615 1.00 0.00 N ATOM 262 CA PHE A 19 -1.108 -0.091 2.686 1.00 0.00 C ATOM 263 C PHE A 19 -0.659 -1.463 2.205 1.00 0.00 C ATOM 264 O PHE A 19 -1.409 -2.158 1.520 1.00 0.00 O ATOM 265 CB PHE A 19 -2.040 -0.217 3.890 1.00 0.00 C ATOM 266 CG PHE A 19 -1.456 -1.040 5.015 1.00 0.00 C ATOM 267 CD1 PHE A 19 -0.355 -0.563 5.733 1.00 0.00 C ATOM 268 CD2 PHE A 19 -2.019 -2.283 5.344 1.00 0.00 C ATOM 269 CE1 PHE A 19 0.179 -1.316 6.789 1.00 0.00 C ATOM 270 CE2 PHE A 19 -1.482 -3.038 6.396 1.00 0.00 C ATOM 271 CZ PHE A 19 -0.383 -2.555 7.119 1.00 0.00 C ATOM 0 H PHE A 19 -2.799 0.387 1.578 1.00 0.00 H new ATOM 0 HA PHE A 19 -0.225 0.476 2.983 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -2.277 0.779 4.263 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -2.979 -0.668 3.568 1.00 0.00 H new ATOM 0 HD1 PHE A 19 0.086 0.388 5.474 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -2.865 -2.657 4.787 1.00 0.00 H new ATOM 0 HE1 PHE A 19 1.024 -0.940 7.347 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -1.916 -3.994 6.650 1.00 0.00 H new ATOM 0 HZ PHE A 19 0.030 -3.138 7.929 1.00 0.00 H new ATOM 281 N ILE A 20 0.562 -1.858 2.568 1.00 0.00 N ATOM 282 CA ILE A 20 1.125 -3.149 2.205 1.00 0.00 C ATOM 283 C ILE A 20 1.528 -3.859 3.489 1.00 0.00 C ATOM 284 O ILE A 20 2.684 -3.814 3.905 1.00 0.00 O ATOM 285 CB ILE A 20 2.314 -2.959 1.254 1.00 0.00 C ATOM 286 CG1 ILE A 20 1.875 -2.241 -0.030 1.00 0.00 C ATOM 287 CG2 ILE A 20 2.949 -4.310 0.890 1.00 0.00 C ATOM 288 CD1 ILE A 20 3.077 -1.640 -0.755 1.00 0.00 C ATOM 0 H ILE A 20 1.190 -1.281 3.128 1.00 0.00 H new ATOM 0 HA ILE A 20 0.394 -3.759 1.675 1.00 0.00 H new ATOM 0 HB ILE A 20 3.053 -2.348 1.772 1.00 0.00 H new ATOM 0 HG12 ILE A 20 1.362 -2.943 -0.687 1.00 0.00 H new ATOM 0 HG13 ILE A 20 1.161 -1.454 0.214 1.00 0.00 H new ATOM 0 HG21 ILE A 20 3.789 -4.147 0.215 1.00 0.00 H new ATOM 0 HG22 ILE A 20 3.302 -4.802 1.796 1.00 0.00 H new ATOM 0 HG23 ILE A 20 2.207 -4.941 0.400 1.00 0.00 H new ATOM 0 HD11 ILE A 20 2.741 -1.137 -1.661 1.00 0.00 H new ATOM 0 HD12 ILE A 20 3.573 -0.921 -0.103 1.00 0.00 H new ATOM 0 HD13 ILE A 20 3.777 -2.433 -1.019 1.00 0.00 H new ATOM 300 N GLY A 21 0.554 -4.512 4.118 1.00 0.00 N ATOM 301 CA GLY A 21 0.787 -5.282 5.324 1.00 0.00 C ATOM 302 C GLY A 21 1.243 -6.691 4.965 1.00 0.00 C ATOM 303 O GLY A 21 1.306 -7.058 3.792 1.00 0.00 O ATOM 0 H GLY A 21 -0.416 -4.519 3.802 1.00 0.00 H new ATOM 0 HA2 GLY A 21 1.543 -4.792 5.937 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -0.126 -5.327 5.918 1.00 0.00 H new ATOM 307 N ASN A 22 1.560 -7.483 5.991 1.00 0.00 N ATOM 308 CA ASN A 22 2.078 -8.827 5.828 1.00 0.00 C ATOM 309 C ASN A 22 3.229 -8.835 4.818 1.00 0.00 C ATOM 310 O ASN A 22 3.270 -9.679 3.925 1.00 0.00 O ATOM 311 CB ASN A 22 0.956 -9.813 5.482 1.00 0.00 C ATOM 312 CG ASN A 22 1.451 -11.255 5.547 1.00 0.00 C ATOM 313 OD1 ASN A 22 2.483 -11.541 6.147 1.00 0.00 O ATOM 314 ND2 ASN A 22 0.722 -12.176 4.933 1.00 0.00 N ATOM 0 H ASN A 22 1.460 -7.199 6.966 1.00 0.00 H new ATOM 0 HA ASN A 22 2.492 -9.169 6.776 1.00 0.00 H new ATOM 0 HB2 ASN A 22 0.124 -9.679 6.174 1.00 0.00 H new ATOM 0 HB3 ASN A 22 0.576 -9.600 4.483 1.00 0.00 H new ATOM 0 HD21 ASN A 22 1.014 -13.153 4.951 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -0.131 -11.908 4.442 1.00 0.00 H new ATOM 321 N LEU A 23 4.164 -7.891 4.953 1.00 0.00 N ATOM 322 CA LEU A 23 5.316 -7.770 4.071 1.00 0.00 C ATOM 323 C LEU A 23 6.544 -8.379 4.747 1.00 0.00 C ATOM 324 O LEU A 23 6.684 -8.291 5.962 1.00 0.00 O ATOM 325 CB LEU A 23 5.495 -6.291 3.722 1.00 0.00 C ATOM 326 CG LEU A 23 6.645 -6.017 2.753 1.00 0.00 C ATOM 327 CD1 LEU A 23 6.447 -6.715 1.406 1.00 0.00 C ATOM 328 CD2 LEU A 23 6.733 -4.511 2.517 1.00 0.00 C ATOM 0 H LEU A 23 4.137 -7.184 5.688 1.00 0.00 H new ATOM 0 HA LEU A 23 5.170 -8.320 3.141 1.00 0.00 H new ATOM 0 HB2 LEU A 23 4.569 -5.916 3.286 1.00 0.00 H new ATOM 0 HB3 LEU A 23 5.665 -5.729 4.640 1.00 0.00 H new ATOM 0 HG LEU A 23 7.560 -6.407 3.198 1.00 0.00 H new ATOM 0 HD11 LEU A 23 7.290 -6.490 0.752 1.00 0.00 H new ATOM 0 HD12 LEU A 23 6.385 -7.792 1.560 1.00 0.00 H new ATOM 0 HD13 LEU A 23 5.525 -6.361 0.945 1.00 0.00 H new ATOM 0 HD21 LEU A 23 7.549 -4.298 1.827 1.00 0.00 H new ATOM 0 HD22 LEU A 23 5.795 -4.154 2.091 1.00 0.00 H new ATOM 0 HD23 LEU A 23 6.917 -4.004 3.464 1.00 0.00 H new ATOM 340 N ASN A 24 7.438 -8.996 3.967 1.00 0.00 N ATOM 341 CA ASN A 24 8.608 -9.655 4.534 1.00 0.00 C ATOM 342 C ASN A 24 9.619 -8.633 5.058 1.00 0.00 C ATOM 343 O ASN A 24 10.232 -8.850 6.099 1.00 0.00 O ATOM 344 CB ASN A 24 9.257 -10.542 3.468 1.00 0.00 C ATOM 345 CG ASN A 24 10.310 -11.451 4.084 1.00 0.00 C ATOM 346 OD1 ASN A 24 10.115 -12.003 5.162 1.00 0.00 O ATOM 347 ND2 ASN A 24 11.439 -11.613 3.402 1.00 0.00 N ATOM 0 H ASN A 24 7.371 -9.050 2.951 1.00 0.00 H new ATOM 0 HA ASN A 24 8.288 -10.268 5.376 1.00 0.00 H new ATOM 0 HB2 ASN A 24 8.493 -11.145 2.977 1.00 0.00 H new ATOM 0 HB3 ASN A 24 9.714 -9.918 2.700 1.00 0.00 H new ATOM 0 HD21 ASN A 24 12.177 -12.212 3.772 1.00 0.00 H new ATOM 0 HD22 ASN A 24 11.567 -11.139 2.508 1.00 0.00 H new ATOM 354 N THR A 25 9.774 -7.526 4.319 1.00 0.00 N ATOM 355 CA THR A 25 10.651 -6.385 4.604 1.00 0.00 C ATOM 356 C THR A 25 12.123 -6.734 4.847 1.00 0.00 C ATOM 357 O THR A 25 12.934 -5.836 5.061 1.00 0.00 O ATOM 358 CB THR A 25 10.085 -5.495 5.720 1.00 0.00 C ATOM 359 OG1 THR A 25 10.060 -6.166 6.961 1.00 0.00 O ATOM 360 CG2 THR A 25 8.664 -5.071 5.370 1.00 0.00 C ATOM 0 H THR A 25 9.256 -7.397 3.450 1.00 0.00 H new ATOM 0 HA THR A 25 10.659 -5.813 3.676 1.00 0.00 H new ATOM 0 HB THR A 25 10.736 -4.625 5.806 1.00 0.00 H new ATOM 0 HG1 THR A 25 10.256 -7.116 6.823 1.00 0.00 H new ATOM 0 HG21 THR A 25 8.266 -4.440 6.165 1.00 0.00 H new ATOM 0 HG22 THR A 25 8.671 -4.514 4.433 1.00 0.00 H new ATOM 0 HG23 THR A 25 8.037 -5.956 5.261 1.00 0.00 H new ATOM 368 N LEU A 26 12.482 -8.019 4.818 1.00 0.00 N ATOM 369 CA LEU A 26 13.858 -8.466 4.930 1.00 0.00 C ATOM 370 C LEU A 26 14.553 -8.506 3.569 1.00 0.00 C ATOM 371 O LEU A 26 15.781 -8.483 3.501 1.00 0.00 O ATOM 372 CB LEU A 26 13.830 -9.861 5.541 1.00 0.00 C ATOM 373 CG LEU A 26 13.375 -9.833 7.000 1.00 0.00 C ATOM 374 CD1 LEU A 26 13.116 -11.263 7.460 1.00 0.00 C ATOM 375 CD2 LEU A 26 14.432 -9.190 7.896 1.00 0.00 C ATOM 0 H LEU A 26 11.812 -8.781 4.715 1.00 0.00 H new ATOM 0 HA LEU A 26 14.420 -7.770 5.552 1.00 0.00 H new ATOM 0 HB2 LEU A 26 13.160 -10.497 4.963 1.00 0.00 H new ATOM 0 HB3 LEU A 26 14.823 -10.305 5.479 1.00 0.00 H new ATOM 0 HG LEU A 26 12.465 -9.238 7.074 1.00 0.00 H new ATOM 0 HD11 LEU A 26 12.790 -11.257 8.500 1.00 0.00 H new ATOM 0 HD12 LEU A 26 12.339 -11.710 6.839 1.00 0.00 H new ATOM 0 HD13 LEU A 26 14.033 -11.846 7.370 1.00 0.00 H new ATOM 0 HD21 LEU A 26 14.080 -9.184 8.928 1.00 0.00 H new ATOM 0 HD22 LEU A 26 15.359 -9.760 7.832 1.00 0.00 H new ATOM 0 HD23 LEU A 26 14.612 -8.166 7.569 1.00 0.00 H new ATOM 387 N VAL A 27 13.772 -8.566 2.485 1.00 0.00 N ATOM 388 CA VAL A 27 14.315 -8.627 1.132 1.00 0.00 C ATOM 389 C VAL A 27 13.819 -7.461 0.278 1.00 0.00 C ATOM 390 O VAL A 27 14.495 -7.079 -0.676 1.00 0.00 O ATOM 391 CB VAL A 27 13.941 -9.980 0.505 1.00 0.00 C ATOM 392 CG1 VAL A 27 14.509 -10.113 -0.905 1.00 0.00 C ATOM 393 CG2 VAL A 27 14.505 -11.128 1.345 1.00 0.00 C ATOM 0 H VAL A 27 12.753 -8.573 2.524 1.00 0.00 H new ATOM 0 HA VAL A 27 15.401 -8.540 1.178 1.00 0.00 H new ATOM 0 HB VAL A 27 12.853 -10.027 0.469 1.00 0.00 H new ATOM 0 HG11 VAL A 27 14.227 -11.080 -1.321 1.00 0.00 H new ATOM 0 HG12 VAL A 27 14.110 -9.317 -1.534 1.00 0.00 H new ATOM 0 HG13 VAL A 27 15.596 -10.037 -0.868 1.00 0.00 H new ATOM 0 HG21 VAL A 27 14.233 -12.080 0.890 1.00 0.00 H new ATOM 0 HG22 VAL A 27 15.591 -11.045 1.392 1.00 0.00 H new ATOM 0 HG23 VAL A 27 14.094 -11.077 2.353 1.00 0.00 H new ATOM 403 N VAL A 28 12.654 -6.888 0.600 1.00 0.00 N ATOM 404 CA VAL A 28 12.110 -5.757 -0.141 1.00 0.00 C ATOM 405 C VAL A 28 12.355 -4.459 0.622 1.00 0.00 C ATOM 406 O VAL A 28 12.329 -4.448 1.851 1.00 0.00 O ATOM 407 CB VAL A 28 10.619 -5.975 -0.428 1.00 0.00 C ATOM 408 CG1 VAL A 28 10.037 -4.831 -1.257 1.00 0.00 C ATOM 409 CG2 VAL A 28 10.431 -7.274 -1.208 1.00 0.00 C ATOM 0 H VAL A 28 12.069 -7.196 1.377 1.00 0.00 H new ATOM 0 HA VAL A 28 12.622 -5.678 -1.100 1.00 0.00 H new ATOM 0 HB VAL A 28 10.101 -6.019 0.530 1.00 0.00 H new ATOM 0 HG11 VAL A 28 8.979 -5.017 -1.442 1.00 0.00 H new ATOM 0 HG12 VAL A 28 10.150 -3.893 -0.713 1.00 0.00 H new ATOM 0 HG13 VAL A 28 10.566 -4.765 -2.208 1.00 0.00 H new ATOM 0 HG21 VAL A 28 9.371 -7.427 -1.411 1.00 0.00 H new ATOM 0 HG22 VAL A 28 10.976 -7.215 -2.150 1.00 0.00 H new ATOM 0 HG23 VAL A 28 10.812 -8.109 -0.621 1.00 0.00 H new ATOM 419 N LYS A 29 12.591 -3.368 -0.112 1.00 0.00 N ATOM 420 CA LYS A 29 12.877 -2.059 0.467 1.00 0.00 C ATOM 421 C LYS A 29 12.072 -0.980 -0.250 1.00 0.00 C ATOM 422 O LYS A 29 11.414 -1.239 -1.255 1.00 0.00 O ATOM 423 CB LYS A 29 14.378 -1.745 0.382 1.00 0.00 C ATOM 424 CG LYS A 29 15.270 -2.790 1.062 1.00 0.00 C ATOM 425 CD LYS A 29 15.699 -3.884 0.080 1.00 0.00 C ATOM 426 CE LYS A 29 16.627 -4.871 0.782 1.00 0.00 C ATOM 427 NZ LYS A 29 17.080 -5.917 -0.155 1.00 0.00 N ATOM 0 H LYS A 29 12.588 -3.372 -1.132 1.00 0.00 H new ATOM 0 HA LYS A 29 12.588 -2.076 1.518 1.00 0.00 H new ATOM 0 HB2 LYS A 29 14.664 -1.665 -0.667 1.00 0.00 H new ATOM 0 HB3 LYS A 29 14.562 -0.772 0.838 1.00 0.00 H new ATOM 0 HG2 LYS A 29 16.153 -2.303 1.475 1.00 0.00 H new ATOM 0 HG3 LYS A 29 14.734 -3.239 1.898 1.00 0.00 H new ATOM 0 HD2 LYS A 29 14.822 -4.405 -0.304 1.00 0.00 H new ATOM 0 HD3 LYS A 29 16.206 -3.439 -0.776 1.00 0.00 H new ATOM 0 HE2 LYS A 29 17.489 -4.342 1.188 1.00 0.00 H new ATOM 0 HE3 LYS A 29 16.109 -5.330 1.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 17.750 -6.549 0.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 16.261 -6.467 -0.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 17.549 -5.473 -0.970 1.00 0.00 H new ATOM 441 N LYS A 30 12.132 0.246 0.273 1.00 0.00 N ATOM 442 CA LYS A 30 11.444 1.399 -0.299 1.00 0.00 C ATOM 443 C LYS A 30 12.035 1.810 -1.647 1.00 0.00 C ATOM 444 O LYS A 30 11.506 2.701 -2.310 1.00 0.00 O ATOM 445 CB LYS A 30 11.472 2.539 0.716 1.00 0.00 C ATOM 446 CG LYS A 30 12.901 2.909 1.129 1.00 0.00 C ATOM 447 CD LYS A 30 12.900 3.348 2.591 1.00 0.00 C ATOM 448 CE LYS A 30 12.021 4.586 2.782 1.00 0.00 C ATOM 449 NZ LYS A 30 11.927 4.971 4.204 1.00 0.00 N ATOM 0 H LYS A 30 12.666 0.466 1.114 1.00 0.00 H new ATOM 0 HA LYS A 30 10.408 1.132 -0.506 1.00 0.00 H new ATOM 0 HB2 LYS A 30 10.980 3.414 0.291 1.00 0.00 H new ATOM 0 HB3 LYS A 30 10.903 2.251 1.600 1.00 0.00 H new ATOM 0 HG2 LYS A 30 13.565 2.055 0.993 1.00 0.00 H new ATOM 0 HG3 LYS A 30 13.280 3.711 0.496 1.00 0.00 H new ATOM 0 HD2 LYS A 30 12.535 2.536 3.220 1.00 0.00 H new ATOM 0 HD3 LYS A 30 13.919 3.566 2.911 1.00 0.00 H new ATOM 0 HE2 LYS A 30 12.430 5.416 2.206 1.00 0.00 H new ATOM 0 HE3 LYS A 30 11.023 4.388 2.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 11.485 5.909 4.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 11.350 4.273 4.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 12.880 5.002 4.619 1.00 0.00 H new ATOM 463 N SER A 31 13.125 1.157 -2.047 1.00 0.00 N ATOM 464 CA SER A 31 13.740 1.335 -3.355 1.00 0.00 C ATOM 465 C SER A 31 13.291 0.235 -4.312 1.00 0.00 C ATOM 466 O SER A 31 13.714 0.208 -5.466 1.00 0.00 O ATOM 467 CB SER A 31 15.262 1.347 -3.209 1.00 0.00 C ATOM 468 OG SER A 31 15.654 2.357 -2.301 1.00 0.00 O ATOM 0 H SER A 31 13.611 0.479 -1.460 1.00 0.00 H new ATOM 0 HA SER A 31 13.421 2.290 -3.774 1.00 0.00 H new ATOM 0 HB2 SER A 31 15.609 0.376 -2.857 1.00 0.00 H new ATOM 0 HB3 SER A 31 15.727 1.519 -4.180 1.00 0.00 H new ATOM 0 HG SER A 31 16.630 2.356 -2.212 1.00 0.00 H new ATOM 474 N ASP A 32 12.433 -0.675 -3.837 1.00 0.00 N ATOM 475 CA ASP A 32 11.913 -1.781 -4.622 1.00 0.00 C ATOM 476 C ASP A 32 10.395 -1.675 -4.755 1.00 0.00 C ATOM 477 O ASP A 32 9.835 -2.056 -5.781 1.00 0.00 O ATOM 478 CB ASP A 32 12.298 -3.081 -3.922 1.00 0.00 C ATOM 479 CG ASP A 32 13.793 -3.361 -4.033 1.00 0.00 C ATOM 480 OD1 ASP A 32 14.224 -3.775 -5.131 1.00 0.00 O ATOM 481 OD2 ASP A 32 14.494 -3.157 -3.018 1.00 0.00 O ATOM 0 H ASP A 32 12.080 -0.656 -2.880 1.00 0.00 H new ATOM 0 HA ASP A 32 12.335 -1.758 -5.627 1.00 0.00 H new ATOM 0 HB2 ASP A 32 12.015 -3.026 -2.871 1.00 0.00 H new ATOM 0 HB3 ASP A 32 11.739 -3.909 -4.359 1.00 0.00 H new ATOM 486 N VAL A 33 9.711 -1.160 -3.727 1.00 0.00 N ATOM 487 CA VAL A 33 8.266 -0.997 -3.781 1.00 0.00 C ATOM 488 C VAL A 33 7.922 0.020 -4.868 1.00 0.00 C ATOM 489 O VAL A 33 6.872 -0.075 -5.501 1.00 0.00 O ATOM 490 CB VAL A 33 7.767 -0.546 -2.406 1.00 0.00 C ATOM 491 CG1 VAL A 33 6.272 -0.238 -2.429 1.00 0.00 C ATOM 492 CG2 VAL A 33 7.994 -1.660 -1.383 1.00 0.00 C ATOM 0 H VAL A 33 10.139 -0.852 -2.854 1.00 0.00 H new ATOM 0 HA VAL A 33 7.776 -1.938 -4.029 1.00 0.00 H new ATOM 0 HB VAL A 33 8.320 0.354 -2.138 1.00 0.00 H new ATOM 0 HG11 VAL A 33 5.951 0.079 -1.437 1.00 0.00 H new ATOM 0 HG12 VAL A 33 6.076 0.559 -3.146 1.00 0.00 H new ATOM 0 HG13 VAL A 33 5.721 -1.132 -2.720 1.00 0.00 H new ATOM 0 HG21 VAL A 33 7.637 -1.335 -0.406 1.00 0.00 H new ATOM 0 HG22 VAL A 33 7.448 -2.552 -1.690 1.00 0.00 H new ATOM 0 HG23 VAL A 33 9.058 -1.888 -1.323 1.00 0.00 H new ATOM 502 N GLU A 34 8.809 0.992 -5.096 1.00 0.00 N ATOM 503 CA GLU A 34 8.611 2.001 -6.130 1.00 0.00 C ATOM 504 C GLU A 34 8.969 1.471 -7.522 1.00 0.00 C ATOM 505 O GLU A 34 8.997 2.231 -8.488 1.00 0.00 O ATOM 506 CB GLU A 34 9.385 3.274 -5.787 1.00 0.00 C ATOM 507 CG GLU A 34 10.894 3.022 -5.745 1.00 0.00 C ATOM 508 CD GLU A 34 11.680 4.304 -5.469 1.00 0.00 C ATOM 509 OE1 GLU A 34 11.045 5.323 -5.109 1.00 0.00 O ATOM 510 OE2 GLU A 34 12.922 4.259 -5.620 1.00 0.00 O ATOM 0 H GLU A 34 9.677 1.098 -4.571 1.00 0.00 H new ATOM 0 HA GLU A 34 7.550 2.250 -6.160 1.00 0.00 H new ATOM 0 HB2 GLU A 34 9.165 4.045 -6.526 1.00 0.00 H new ATOM 0 HB3 GLU A 34 9.052 3.654 -4.821 1.00 0.00 H new ATOM 0 HG2 GLU A 34 11.118 2.286 -4.973 1.00 0.00 H new ATOM 0 HG3 GLU A 34 11.217 2.596 -6.695 1.00 0.00 H new ATOM 517 N ALA A 35 9.243 0.164 -7.628 1.00 0.00 N ATOM 518 CA ALA A 35 9.530 -0.489 -8.892 1.00 0.00 C ATOM 519 C ALA A 35 8.609 -1.691 -9.101 1.00 0.00 C ATOM 520 O ALA A 35 8.602 -2.281 -10.181 1.00 0.00 O ATOM 521 CB ALA A 35 10.998 -0.907 -8.916 1.00 0.00 C ATOM 0 H ALA A 35 9.270 -0.467 -6.827 1.00 0.00 H new ATOM 0 HA ALA A 35 9.346 0.207 -9.711 1.00 0.00 H new ATOM 0 HB1 ALA A 35 11.221 -1.398 -9.863 1.00 0.00 H new ATOM 0 HB2 ALA A 35 11.629 -0.025 -8.807 1.00 0.00 H new ATOM 0 HB3 ALA A 35 11.193 -1.596 -8.095 1.00 0.00 H new ATOM 527 N ILE A 36 7.835 -2.059 -8.074 1.00 0.00 N ATOM 528 CA ILE A 36 6.895 -3.173 -8.138 1.00 0.00 C ATOM 529 C ILE A 36 5.454 -2.663 -8.124 1.00 0.00 C ATOM 530 O ILE A 36 4.559 -3.318 -8.657 1.00 0.00 O ATOM 531 CB ILE A 36 7.165 -4.113 -6.956 1.00 0.00 C ATOM 532 CG1 ILE A 36 8.587 -4.684 -7.065 1.00 0.00 C ATOM 533 CG2 ILE A 36 6.140 -5.252 -6.922 1.00 0.00 C ATOM 534 CD1 ILE A 36 9.042 -5.305 -5.743 1.00 0.00 C ATOM 0 H ILE A 36 7.847 -1.586 -7.170 1.00 0.00 H new ATOM 0 HA ILE A 36 7.034 -3.721 -9.070 1.00 0.00 H new ATOM 0 HB ILE A 36 7.074 -3.545 -6.030 1.00 0.00 H new ATOM 0 HG12 ILE A 36 8.619 -5.437 -7.852 1.00 0.00 H new ATOM 0 HG13 ILE A 36 9.278 -3.892 -7.353 1.00 0.00 H new ATOM 0 HG21 ILE A 36 6.351 -5.906 -6.076 1.00 0.00 H new ATOM 0 HG22 ILE A 36 5.138 -4.836 -6.819 1.00 0.00 H new ATOM 0 HG23 ILE A 36 6.202 -5.825 -7.847 1.00 0.00 H new ATOM 0 HD11 ILE A 36 10.052 -5.699 -5.855 1.00 0.00 H new ATOM 0 HD12 ILE A 36 9.034 -4.545 -4.962 1.00 0.00 H new ATOM 0 HD13 ILE A 36 8.365 -6.114 -5.469 1.00 0.00 H new ATOM 546 N PHE A 37 5.223 -1.499 -7.516 1.00 0.00 N ATOM 547 CA PHE A 37 3.901 -0.898 -7.441 1.00 0.00 C ATOM 548 C PHE A 37 3.766 0.262 -8.428 1.00 0.00 C ATOM 549 O PHE A 37 2.679 0.815 -8.581 1.00 0.00 O ATOM 550 CB PHE A 37 3.631 -0.460 -6.001 1.00 0.00 C ATOM 551 CG PHE A 37 3.412 -1.616 -5.052 1.00 0.00 C ATOM 552 CD1 PHE A 37 4.506 -2.341 -4.563 1.00 0.00 C ATOM 553 CD2 PHE A 37 2.109 -1.963 -4.667 1.00 0.00 C ATOM 554 CE1 PHE A 37 4.297 -3.423 -3.695 1.00 0.00 C ATOM 555 CE2 PHE A 37 1.900 -3.045 -3.800 1.00 0.00 C ATOM 556 CZ PHE A 37 2.993 -3.774 -3.311 1.00 0.00 C ATOM 0 H PHE A 37 5.952 -0.949 -7.062 1.00 0.00 H new ATOM 0 HA PHE A 37 3.150 -1.635 -7.726 1.00 0.00 H new ATOM 0 HB2 PHE A 37 4.472 0.137 -5.647 1.00 0.00 H new ATOM 0 HB3 PHE A 37 2.753 0.185 -5.984 1.00 0.00 H new ATOM 0 HD1 PHE A 37 5.509 -2.067 -4.854 1.00 0.00 H new ATOM 0 HD2 PHE A 37 1.267 -1.397 -5.038 1.00 0.00 H new ATOM 0 HE1 PHE A 37 5.140 -3.986 -3.322 1.00 0.00 H new ATOM 0 HE2 PHE A 37 0.896 -3.317 -3.509 1.00 0.00 H new ATOM 0 HZ PHE A 37 2.832 -4.605 -2.640 1.00 0.00 H new ATOM 566 N SER A 38 4.858 0.631 -9.103 1.00 0.00 N ATOM 567 CA SER A 38 4.849 1.723 -10.069 1.00 0.00 C ATOM 568 C SER A 38 4.192 1.304 -11.381 1.00 0.00 C ATOM 569 O SER A 38 3.867 2.147 -12.219 1.00 0.00 O ATOM 570 CB SER A 38 6.281 2.172 -10.329 1.00 0.00 C ATOM 571 OG SER A 38 7.050 1.081 -10.792 1.00 0.00 O ATOM 0 H SER A 38 5.767 0.181 -8.993 1.00 0.00 H new ATOM 0 HA SER A 38 4.267 2.546 -9.654 1.00 0.00 H new ATOM 0 HB2 SER A 38 6.292 2.975 -11.066 1.00 0.00 H new ATOM 0 HB3 SER A 38 6.717 2.574 -9.414 1.00 0.00 H new ATOM 0 HG SER A 38 7.969 1.376 -10.959 1.00 0.00 H new ATOM 577 N LYS A 39 3.995 -0.005 -11.565 1.00 0.00 N ATOM 578 CA LYS A 39 3.367 -0.556 -12.760 1.00 0.00 C ATOM 579 C LYS A 39 1.840 -0.526 -12.676 1.00 0.00 C ATOM 580 O LYS A 39 1.168 -0.780 -13.674 1.00 0.00 O ATOM 581 CB LYS A 39 3.900 -1.972 -12.972 1.00 0.00 C ATOM 582 CG LYS A 39 3.441 -2.885 -11.835 1.00 0.00 C ATOM 583 CD LYS A 39 4.314 -4.138 -11.773 1.00 0.00 C ATOM 584 CE LYS A 39 4.220 -4.970 -13.055 1.00 0.00 C ATOM 585 NZ LYS A 39 2.862 -5.518 -13.248 1.00 0.00 N ATOM 0 H LYS A 39 4.270 -0.712 -10.883 1.00 0.00 H new ATOM 0 HA LYS A 39 3.623 0.063 -13.620 1.00 0.00 H new ATOM 0 HB2 LYS A 39 3.547 -2.362 -13.927 1.00 0.00 H new ATOM 0 HB3 LYS A 39 4.989 -1.955 -13.018 1.00 0.00 H new ATOM 0 HG2 LYS A 39 3.493 -2.350 -10.887 1.00 0.00 H new ATOM 0 HG3 LYS A 39 2.399 -3.167 -11.985 1.00 0.00 H new ATOM 0 HD2 LYS A 39 5.351 -3.849 -11.605 1.00 0.00 H new ATOM 0 HD3 LYS A 39 4.011 -4.748 -10.922 1.00 0.00 H new ATOM 0 HE2 LYS A 39 4.489 -4.352 -13.911 1.00 0.00 H new ATOM 0 HE3 LYS A 39 4.940 -5.787 -13.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 2.925 -6.444 -13.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 2.398 -5.629 -12.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 2.306 -4.867 -13.839 1.00 0.00 H new ATOM 599 N TYR A 40 1.292 -0.213 -11.496 1.00 0.00 N ATOM 600 CA TYR A 40 -0.148 -0.093 -11.303 1.00 0.00 C ATOM 601 C TYR A 40 -0.566 1.368 -11.167 1.00 0.00 C ATOM 602 O TYR A 40 -1.748 1.691 -11.273 1.00 0.00 O ATOM 603 CB TYR A 40 -0.568 -0.917 -10.087 1.00 0.00 C ATOM 604 CG TYR A 40 -0.174 -2.368 -10.217 1.00 0.00 C ATOM 605 CD1 TYR A 40 -0.930 -3.232 -11.021 1.00 0.00 C ATOM 606 CD2 TYR A 40 0.959 -2.846 -9.547 1.00 0.00 C ATOM 607 CE1 TYR A 40 -0.537 -4.568 -11.183 1.00 0.00 C ATOM 608 CE2 TYR A 40 1.364 -4.179 -9.706 1.00 0.00 C ATOM 609 CZ TYR A 40 0.623 -5.042 -10.536 1.00 0.00 C ATOM 610 OH TYR A 40 1.025 -6.329 -10.719 1.00 0.00 O ATOM 0 H TYR A 40 1.838 -0.037 -10.653 1.00 0.00 H new ATOM 0 HA TYR A 40 -0.660 -0.485 -12.182 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -0.111 -0.497 -9.191 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -1.648 -0.846 -9.958 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -1.818 -2.868 -11.517 1.00 0.00 H new ATOM 0 HD2 TYR A 40 1.523 -2.185 -8.905 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -1.121 -5.233 -11.802 1.00 0.00 H new ATOM 0 HE2 TYR A 40 2.242 -4.543 -9.193 1.00 0.00 H new ATOM 0 HH TYR A 40 0.545 -6.913 -10.095 1.00 0.00 H new ATOM 620 N GLY A 41 0.399 2.259 -10.934 1.00 0.00 N ATOM 621 CA GLY A 41 0.132 3.686 -10.905 1.00 0.00 C ATOM 622 C GLY A 41 1.405 4.497 -10.698 1.00 0.00 C ATOM 623 O GLY A 41 2.426 3.963 -10.267 1.00 0.00 O ATOM 0 H GLY A 41 1.373 2.010 -10.763 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -0.342 3.986 -11.840 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -0.574 3.907 -10.104 1.00 0.00 H new ATOM 627 N LYS A 42 1.339 5.792 -11.006 1.00 0.00 N ATOM 628 CA LYS A 42 2.458 6.702 -10.819 1.00 0.00 C ATOM 629 C LYS A 42 2.612 6.995 -9.331 1.00 0.00 C ATOM 630 O LYS A 42 1.742 7.617 -8.727 1.00 0.00 O ATOM 631 CB LYS A 42 2.192 7.967 -11.638 1.00 0.00 C ATOM 632 CG LYS A 42 3.189 9.074 -11.294 1.00 0.00 C ATOM 633 CD LYS A 42 2.954 10.271 -12.212 1.00 0.00 C ATOM 634 CE LYS A 42 3.747 11.468 -11.693 1.00 0.00 C ATOM 635 NZ LYS A 42 3.589 12.638 -12.575 1.00 0.00 N ATOM 0 H LYS A 42 0.506 6.236 -11.392 1.00 0.00 H new ATOM 0 HA LYS A 42 3.394 6.265 -11.166 1.00 0.00 H new ATOM 0 HB2 LYS A 42 2.257 7.734 -12.701 1.00 0.00 H new ATOM 0 HB3 LYS A 42 1.177 8.318 -11.450 1.00 0.00 H new ATOM 0 HG2 LYS A 42 3.073 9.372 -10.252 1.00 0.00 H new ATOM 0 HG3 LYS A 42 4.209 8.708 -11.409 1.00 0.00 H new ATOM 0 HD2 LYS A 42 3.262 10.030 -13.229 1.00 0.00 H new ATOM 0 HD3 LYS A 42 1.892 10.512 -12.249 1.00 0.00 H new ATOM 0 HE2 LYS A 42 3.412 11.720 -10.687 1.00 0.00 H new ATOM 0 HE3 LYS A 42 4.802 11.204 -11.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 4.139 13.435 -12.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 3.931 12.403 -13.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 2.584 12.903 -12.624 1.00 0.00 H new ATOM 649 N ILE A 43 3.726 6.543 -8.752 1.00 0.00 N ATOM 650 CA ILE A 43 3.992 6.718 -7.333 1.00 0.00 C ATOM 651 C ILE A 43 4.578 8.101 -7.083 1.00 0.00 C ATOM 652 O ILE A 43 5.526 8.508 -7.751 1.00 0.00 O ATOM 653 CB ILE A 43 4.910 5.588 -6.842 1.00 0.00 C ATOM 654 CG1 ILE A 43 4.165 4.255 -7.000 1.00 0.00 C ATOM 655 CG2 ILE A 43 5.304 5.792 -5.380 1.00 0.00 C ATOM 656 CD1 ILE A 43 5.005 3.052 -6.579 1.00 0.00 C ATOM 0 H ILE A 43 4.463 6.048 -9.255 1.00 0.00 H new ATOM 0 HA ILE A 43 3.065 6.657 -6.763 1.00 0.00 H new ATOM 0 HB ILE A 43 5.825 5.587 -7.435 1.00 0.00 H new ATOM 0 HG12 ILE A 43 3.253 4.281 -6.404 1.00 0.00 H new ATOM 0 HG13 ILE A 43 3.863 4.135 -8.040 1.00 0.00 H new ATOM 0 HG21 ILE A 43 5.953 4.977 -5.061 1.00 0.00 H new ATOM 0 HG22 ILE A 43 5.832 6.740 -5.274 1.00 0.00 H new ATOM 0 HG23 ILE A 43 4.408 5.805 -4.760 1.00 0.00 H new ATOM 0 HD11 ILE A 43 4.425 2.139 -6.713 1.00 0.00 H new ATOM 0 HD12 ILE A 43 5.905 3.004 -7.192 1.00 0.00 H new ATOM 0 HD13 ILE A 43 5.286 3.153 -5.531 1.00 0.00 H new ATOM 668 N VAL A 44 4.005 8.821 -6.113 1.00 0.00 N ATOM 669 CA VAL A 44 4.450 10.156 -5.734 1.00 0.00 C ATOM 670 C VAL A 44 5.130 10.136 -4.368 1.00 0.00 C ATOM 671 O VAL A 44 5.661 11.150 -3.919 1.00 0.00 O ATOM 672 CB VAL A 44 3.274 11.140 -5.757 1.00 0.00 C ATOM 673 CG1 VAL A 44 2.675 11.213 -7.162 1.00 0.00 C ATOM 674 CG2 VAL A 44 2.178 10.721 -4.775 1.00 0.00 C ATOM 0 H VAL A 44 3.212 8.485 -5.567 1.00 0.00 H new ATOM 0 HA VAL A 44 5.187 10.494 -6.463 1.00 0.00 H new ATOM 0 HB VAL A 44 3.658 12.117 -5.462 1.00 0.00 H new ATOM 0 HG11 VAL A 44 1.841 11.915 -7.166 1.00 0.00 H new ATOM 0 HG12 VAL A 44 3.436 11.551 -7.865 1.00 0.00 H new ATOM 0 HG13 VAL A 44 2.320 10.226 -7.458 1.00 0.00 H new ATOM 0 HG21 VAL A 44 1.359 11.439 -4.816 1.00 0.00 H new ATOM 0 HG22 VAL A 44 1.807 9.732 -5.044 1.00 0.00 H new ATOM 0 HG23 VAL A 44 2.586 10.693 -3.765 1.00 0.00 H new ATOM 684 N GLY A 45 5.115 8.976 -3.706 1.00 0.00 N ATOM 685 CA GLY A 45 5.769 8.778 -2.427 1.00 0.00 C ATOM 686 C GLY A 45 5.687 7.312 -2.025 1.00 0.00 C ATOM 687 O GLY A 45 4.706 6.636 -2.331 1.00 0.00 O ATOM 0 H GLY A 45 4.640 8.143 -4.054 1.00 0.00 H new ATOM 0 HA2 GLY A 45 6.812 9.089 -2.490 1.00 0.00 H new ATOM 0 HA3 GLY A 45 5.296 9.400 -1.667 1.00 0.00 H new ATOM 691 N CYS A 46 6.715 6.818 -1.340 1.00 0.00 N ATOM 692 CA CYS A 46 6.762 5.441 -0.883 1.00 0.00 C ATOM 693 C CYS A 46 7.635 5.332 0.360 1.00 0.00 C ATOM 694 O CYS A 46 8.634 6.041 0.491 1.00 0.00 O ATOM 695 CB CYS A 46 7.310 4.552 -2.004 1.00 0.00 C ATOM 696 SG CYS A 46 7.354 2.833 -1.447 1.00 0.00 S ATOM 0 H CYS A 46 7.538 7.366 -1.088 1.00 0.00 H new ATOM 0 HA CYS A 46 5.756 5.109 -0.625 1.00 0.00 H new ATOM 0 HB2 CYS A 46 6.684 4.641 -2.892 1.00 0.00 H new ATOM 0 HB3 CYS A 46 8.311 4.880 -2.285 1.00 0.00 H new ATOM 0 HG CYS A 46 6.362 2.614 -0.636 1.00 0.00 H new ATOM 702 N SER A 47 7.260 4.436 1.274 1.00 0.00 N ATOM 703 CA SER A 47 8.041 4.182 2.469 1.00 0.00 C ATOM 704 C SER A 47 7.829 2.748 2.930 1.00 0.00 C ATOM 705 O SER A 47 6.723 2.214 2.843 1.00 0.00 O ATOM 706 CB SER A 47 7.652 5.164 3.571 1.00 0.00 C ATOM 707 OG SER A 47 8.514 4.977 4.675 1.00 0.00 O ATOM 0 H SER A 47 6.412 3.874 1.201 1.00 0.00 H new ATOM 0 HA SER A 47 9.098 4.323 2.241 1.00 0.00 H new ATOM 0 HB2 SER A 47 7.724 6.188 3.206 1.00 0.00 H new ATOM 0 HB3 SER A 47 6.616 5.004 3.870 1.00 0.00 H new ATOM 0 HG SER A 47 8.038 4.496 5.384 1.00 0.00 H new ATOM 713 N VAL A 48 8.896 2.123 3.426 1.00 0.00 N ATOM 714 CA VAL A 48 8.851 0.769 3.949 1.00 0.00 C ATOM 715 C VAL A 48 9.248 0.795 5.418 1.00 0.00 C ATOM 716 O VAL A 48 10.082 1.599 5.833 1.00 0.00 O ATOM 717 CB VAL A 48 9.749 -0.158 3.123 1.00 0.00 C ATOM 718 CG1 VAL A 48 9.786 -1.572 3.705 1.00 0.00 C ATOM 719 CG2 VAL A 48 9.219 -0.242 1.698 1.00 0.00 C ATOM 0 H VAL A 48 9.821 2.550 3.474 1.00 0.00 H new ATOM 0 HA VAL A 48 7.839 0.372 3.873 1.00 0.00 H new ATOM 0 HB VAL A 48 10.757 0.257 3.141 1.00 0.00 H new ATOM 0 HG11 VAL A 48 10.433 -2.201 3.093 1.00 0.00 H new ATOM 0 HG12 VAL A 48 10.173 -1.536 4.723 1.00 0.00 H new ATOM 0 HG13 VAL A 48 8.779 -1.988 3.714 1.00 0.00 H new ATOM 0 HG21 VAL A 48 9.858 -0.901 1.110 1.00 0.00 H new ATOM 0 HG22 VAL A 48 8.203 -0.637 1.710 1.00 0.00 H new ATOM 0 HG23 VAL A 48 9.216 0.752 1.252 1.00 0.00 H new ATOM 729 N HIS A 49 8.637 -0.097 6.191 1.00 0.00 N ATOM 730 CA HIS A 49 8.823 -0.193 7.628 1.00 0.00 C ATOM 731 C HIS A 49 9.071 -1.655 7.971 1.00 0.00 C ATOM 732 O HIS A 49 9.312 -2.463 7.074 1.00 0.00 O ATOM 733 CB HIS A 49 7.569 0.352 8.316 1.00 0.00 C ATOM 734 CG HIS A 49 7.194 1.739 7.860 1.00 0.00 C ATOM 735 ND1 HIS A 49 7.464 2.923 8.550 1.00 0.00 N ATOM 736 CD2 HIS A 49 6.531 2.037 6.704 1.00 0.00 C ATOM 737 CE1 HIS A 49 6.954 3.906 7.788 1.00 0.00 C ATOM 738 NE2 HIS A 49 6.388 3.403 6.677 1.00 0.00 N ATOM 0 H HIS A 49 7.984 -0.788 5.823 1.00 0.00 H new ATOM 0 HA HIS A 49 9.676 0.393 7.970 1.00 0.00 H new ATOM 0 HB2 HIS A 49 6.735 -0.324 8.125 1.00 0.00 H new ATOM 0 HB3 HIS A 49 7.730 0.363 9.394 1.00 0.00 H new ATOM 0 HD2 HIS A 49 6.187 1.336 5.958 1.00 0.00 H new ATOM 0 HE1 HIS A 49 6.994 4.957 8.035 1.00 0.00 H new ATOM 0 HE2 HIS A 49 5.931 3.942 5.941 1.00 0.00 H new ATOM 746 N LYS A 50 9.019 -2.021 9.253 1.00 0.00 N ATOM 747 CA LYS A 50 9.190 -3.417 9.626 1.00 0.00 C ATOM 748 C LYS A 50 7.853 -4.140 9.533 1.00 0.00 C ATOM 749 O LYS A 50 6.907 -3.804 10.244 1.00 0.00 O ATOM 750 CB LYS A 50 9.786 -3.520 11.031 1.00 0.00 C ATOM 751 CG LYS A 50 11.135 -2.806 11.142 1.00 0.00 C ATOM 752 CD LYS A 50 12.187 -3.350 10.170 1.00 0.00 C ATOM 753 CE LYS A 50 12.411 -4.846 10.397 1.00 0.00 C ATOM 754 NZ LYS A 50 13.478 -5.359 9.514 1.00 0.00 N ATOM 0 H LYS A 50 8.863 -1.382 10.032 1.00 0.00 H new ATOM 0 HA LYS A 50 9.885 -3.896 8.936 1.00 0.00 H new ATOM 0 HB2 LYS A 50 9.090 -3.091 11.751 1.00 0.00 H new ATOM 0 HB3 LYS A 50 9.910 -4.570 11.295 1.00 0.00 H new ATOM 0 HG2 LYS A 50 10.992 -1.742 10.954 1.00 0.00 H new ATOM 0 HG3 LYS A 50 11.507 -2.903 12.162 1.00 0.00 H new ATOM 0 HD2 LYS A 50 11.864 -3.177 9.143 1.00 0.00 H new ATOM 0 HD3 LYS A 50 13.126 -2.812 10.304 1.00 0.00 H new ATOM 0 HE2 LYS A 50 12.679 -5.024 11.439 1.00 0.00 H new ATOM 0 HE3 LYS A 50 11.485 -5.389 10.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 13.612 -6.376 9.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 13.209 -5.208 8.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 14.365 -4.854 9.713 1.00 0.00 H new ATOM 768 N GLY A 51 7.785 -5.136 8.648 1.00 0.00 N ATOM 769 CA GLY A 51 6.607 -5.967 8.455 1.00 0.00 C ATOM 770 C GLY A 51 5.518 -5.311 7.600 1.00 0.00 C ATOM 771 O GLY A 51 4.576 -5.989 7.197 1.00 0.00 O ATOM 0 H GLY A 51 8.563 -5.388 8.038 1.00 0.00 H new ATOM 0 HA2 GLY A 51 6.908 -6.904 7.986 1.00 0.00 H new ATOM 0 HA3 GLY A 51 6.188 -6.218 9.429 1.00 0.00 H new ATOM 775 N PHE A 52 5.623 -4.008 7.310 1.00 0.00 N ATOM 776 CA PHE A 52 4.637 -3.325 6.481 1.00 0.00 C ATOM 777 C PHE A 52 5.278 -2.222 5.638 1.00 0.00 C ATOM 778 O PHE A 52 6.412 -1.821 5.888 1.00 0.00 O ATOM 779 CB PHE A 52 3.512 -2.749 7.350 1.00 0.00 C ATOM 780 CG PHE A 52 3.936 -1.638 8.283 1.00 0.00 C ATOM 781 CD1 PHE A 52 4.453 -1.950 9.548 1.00 0.00 C ATOM 782 CD2 PHE A 52 3.805 -0.301 7.890 1.00 0.00 C ATOM 783 CE1 PHE A 52 4.844 -0.925 10.420 1.00 0.00 C ATOM 784 CE2 PHE A 52 4.194 0.724 8.763 1.00 0.00 C ATOM 785 CZ PHE A 52 4.716 0.415 10.027 1.00 0.00 C ATOM 0 H PHE A 52 6.382 -3.411 7.639 1.00 0.00 H new ATOM 0 HA PHE A 52 4.213 -4.061 5.797 1.00 0.00 H new ATOM 0 HB2 PHE A 52 2.723 -2.375 6.697 1.00 0.00 H new ATOM 0 HB3 PHE A 52 3.080 -3.556 7.942 1.00 0.00 H new ATOM 0 HD1 PHE A 52 4.550 -2.982 9.851 1.00 0.00 H new ATOM 0 HD2 PHE A 52 3.405 -0.060 6.916 1.00 0.00 H new ATOM 0 HE1 PHE A 52 5.244 -1.167 11.394 1.00 0.00 H new ATOM 0 HE2 PHE A 52 4.091 1.756 8.461 1.00 0.00 H new ATOM 0 HZ PHE A 52 5.019 1.207 10.696 1.00 0.00 H new ATOM 795 N ALA A 53 4.544 -1.733 4.633 1.00 0.00 N ATOM 796 CA ALA A 53 4.986 -0.644 3.773 1.00 0.00 C ATOM 797 C ALA A 53 3.797 0.201 3.312 1.00 0.00 C ATOM 798 O ALA A 53 2.641 -0.162 3.531 1.00 0.00 O ATOM 799 CB ALA A 53 5.735 -1.222 2.571 1.00 0.00 C ATOM 0 H ALA A 53 3.618 -2.089 4.396 1.00 0.00 H new ATOM 0 HA ALA A 53 5.656 0.006 4.336 1.00 0.00 H new ATOM 0 HB1 ALA A 53 6.068 -0.410 1.925 1.00 0.00 H new ATOM 0 HB2 ALA A 53 6.600 -1.787 2.919 1.00 0.00 H new ATOM 0 HB3 ALA A 53 5.072 -1.882 2.012 1.00 0.00 H new ATOM 805 N PHE A 54 4.091 1.336 2.671 1.00 0.00 N ATOM 806 CA PHE A 54 3.094 2.267 2.168 1.00 0.00 C ATOM 807 C PHE A 54 3.492 2.799 0.792 1.00 0.00 C ATOM 808 O PHE A 54 4.675 2.948 0.491 1.00 0.00 O ATOM 809 CB PHE A 54 2.934 3.430 3.153 1.00 0.00 C ATOM 810 CG PHE A 54 1.915 3.182 4.242 1.00 0.00 C ATOM 811 CD1 PHE A 54 0.551 3.216 3.925 1.00 0.00 C ATOM 812 CD2 PHE A 54 2.323 2.929 5.561 1.00 0.00 C ATOM 813 CE1 PHE A 54 -0.409 3.009 4.923 1.00 0.00 C ATOM 814 CE2 PHE A 54 1.362 2.708 6.557 1.00 0.00 C ATOM 815 CZ PHE A 54 -0.002 2.755 6.237 1.00 0.00 C ATOM 0 H PHE A 54 5.049 1.633 2.487 1.00 0.00 H new ATOM 0 HA PHE A 54 2.145 1.741 2.069 1.00 0.00 H new ATOM 0 HB2 PHE A 54 3.900 3.637 3.614 1.00 0.00 H new ATOM 0 HB3 PHE A 54 2.648 4.324 2.599 1.00 0.00 H new ATOM 0 HD1 PHE A 54 0.239 3.402 2.908 1.00 0.00 H new ATOM 0 HD2 PHE A 54 3.374 2.905 5.808 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -1.460 3.045 4.679 1.00 0.00 H new ATOM 0 HE2 PHE A 54 1.672 2.502 7.571 1.00 0.00 H new ATOM 0 HZ PHE A 54 -0.741 2.595 7.008 1.00 0.00 H new ATOM 825 N VAL A 55 2.486 3.083 -0.041 1.00 0.00 N ATOM 826 CA VAL A 55 2.672 3.642 -1.375 1.00 0.00 C ATOM 827 C VAL A 55 1.627 4.720 -1.613 1.00 0.00 C ATOM 828 O VAL A 55 0.465 4.546 -1.256 1.00 0.00 O ATOM 829 CB VAL A 55 2.549 2.548 -2.443 1.00 0.00 C ATOM 830 CG1 VAL A 55 2.650 3.138 -3.848 1.00 0.00 C ATOM 831 CG2 VAL A 55 3.665 1.525 -2.272 1.00 0.00 C ATOM 0 H VAL A 55 1.507 2.927 0.200 1.00 0.00 H new ATOM 0 HA VAL A 55 3.670 4.074 -1.444 1.00 0.00 H new ATOM 0 HB VAL A 55 1.575 2.074 -2.320 1.00 0.00 H new ATOM 0 HG11 VAL A 55 2.560 2.340 -4.585 1.00 0.00 H new ATOM 0 HG12 VAL A 55 1.849 3.862 -3.997 1.00 0.00 H new ATOM 0 HG13 VAL A 55 3.614 3.634 -3.966 1.00 0.00 H new ATOM 0 HG21 VAL A 55 3.570 0.752 -3.034 1.00 0.00 H new ATOM 0 HG22 VAL A 55 4.631 2.020 -2.375 1.00 0.00 H new ATOM 0 HG23 VAL A 55 3.594 1.071 -1.284 1.00 0.00 H new ATOM 841 N GLN A 56 2.040 5.832 -2.218 1.00 0.00 N ATOM 842 CA GLN A 56 1.163 6.957 -2.489 1.00 0.00 C ATOM 843 C GLN A 56 1.077 7.171 -3.998 1.00 0.00 C ATOM 844 O GLN A 56 2.099 7.195 -4.682 1.00 0.00 O ATOM 845 CB GLN A 56 1.731 8.188 -1.770 1.00 0.00 C ATOM 846 CG GLN A 56 0.817 9.407 -1.882 1.00 0.00 C ATOM 847 CD GLN A 56 -0.438 9.249 -1.035 1.00 0.00 C ATOM 848 OE1 GLN A 56 -0.372 8.961 0.156 1.00 0.00 O ATOM 849 NE2 GLN A 56 -1.600 9.438 -1.650 1.00 0.00 N ATOM 0 H GLN A 56 2.999 5.973 -2.534 1.00 0.00 H new ATOM 0 HA GLN A 56 0.153 6.773 -2.122 1.00 0.00 H new ATOM 0 HB2 GLN A 56 1.886 7.950 -0.718 1.00 0.00 H new ATOM 0 HB3 GLN A 56 2.707 8.431 -2.189 1.00 0.00 H new ATOM 0 HG2 GLN A 56 1.359 10.299 -1.567 1.00 0.00 H new ATOM 0 HG3 GLN A 56 0.536 9.557 -2.924 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -1.619 9.677 -2.642 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -2.473 9.345 -1.131 1.00 0.00 H new ATOM 858 N TYR A 57 -0.144 7.327 -4.515 1.00 0.00 N ATOM 859 CA TYR A 57 -0.391 7.527 -5.934 1.00 0.00 C ATOM 860 C TYR A 57 -0.948 8.921 -6.204 1.00 0.00 C ATOM 861 O TYR A 57 -1.241 9.675 -5.275 1.00 0.00 O ATOM 862 CB TYR A 57 -1.372 6.467 -6.439 1.00 0.00 C ATOM 863 CG TYR A 57 -0.806 5.066 -6.486 1.00 0.00 C ATOM 864 CD1 TYR A 57 0.335 4.812 -7.261 1.00 0.00 C ATOM 865 CD2 TYR A 57 -1.418 4.027 -5.770 1.00 0.00 C ATOM 866 CE1 TYR A 57 0.868 3.519 -7.324 1.00 0.00 C ATOM 867 CE2 TYR A 57 -0.884 2.733 -5.827 1.00 0.00 C ATOM 868 CZ TYR A 57 0.258 2.473 -6.609 1.00 0.00 C ATOM 869 OH TYR A 57 0.770 1.218 -6.678 1.00 0.00 O ATOM 0 H TYR A 57 -0.993 7.317 -3.950 1.00 0.00 H new ATOM 0 HA TYR A 57 0.556 7.432 -6.465 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -2.253 6.469 -5.797 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -1.706 6.745 -7.439 1.00 0.00 H new ATOM 0 HD1 TYR A 57 0.803 5.615 -7.810 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -2.298 4.224 -5.176 1.00 0.00 H new ATOM 0 HE1 TYR A 57 1.747 3.325 -7.921 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -1.349 1.933 -5.270 1.00 0.00 H new ATOM 0 HH TYR A 57 1.443 1.178 -7.389 1.00 0.00 H new ATOM 879 N VAL A 58 -1.094 9.258 -7.486 1.00 0.00 N ATOM 880 CA VAL A 58 -1.644 10.535 -7.912 1.00 0.00 C ATOM 881 C VAL A 58 -3.140 10.602 -7.606 1.00 0.00 C ATOM 882 O VAL A 58 -3.663 11.685 -7.347 1.00 0.00 O ATOM 883 CB VAL A 58 -1.381 10.717 -9.412 1.00 0.00 C ATOM 884 CG1 VAL A 58 -2.103 11.948 -9.963 1.00 0.00 C ATOM 885 CG2 VAL A 58 0.115 10.885 -9.657 1.00 0.00 C ATOM 0 H VAL A 58 -0.831 8.646 -8.258 1.00 0.00 H new ATOM 0 HA VAL A 58 -1.159 11.343 -7.364 1.00 0.00 H new ATOM 0 HB VAL A 58 -1.757 9.830 -9.921 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -1.894 12.046 -11.028 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -3.177 11.838 -9.812 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -1.753 12.839 -9.441 1.00 0.00 H new ATOM 0 HG21 VAL A 58 0.297 11.014 -10.724 1.00 0.00 H new ATOM 0 HG22 VAL A 58 0.476 11.762 -9.119 1.00 0.00 H new ATOM 0 HG23 VAL A 58 0.643 10.000 -9.303 1.00 0.00 H new ATOM 895 N ASN A 59 -3.840 9.462 -7.632 1.00 0.00 N ATOM 896 CA ASN A 59 -5.254 9.437 -7.289 1.00 0.00 C ATOM 897 C ASN A 59 -5.706 8.054 -6.823 1.00 0.00 C ATOM 898 O ASN A 59 -4.994 7.066 -7.002 1.00 0.00 O ATOM 899 CB ASN A 59 -6.091 9.935 -8.469 1.00 0.00 C ATOM 900 CG ASN A 59 -6.527 8.832 -9.416 1.00 0.00 C ATOM 901 OD1 ASN A 59 -7.722 8.601 -9.571 1.00 0.00 O ATOM 902 ND2 ASN A 59 -5.582 8.146 -10.049 1.00 0.00 N ATOM 0 H ASN A 59 -3.448 8.555 -7.886 1.00 0.00 H new ATOM 0 HA ASN A 59 -5.408 10.112 -6.447 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -6.976 10.444 -8.086 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -5.514 10.673 -9.026 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -5.839 7.396 -10.691 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -4.599 8.369 -9.893 1.00 0.00 H new ATOM 909 N GLU A 60 -6.896 7.995 -6.224 1.00 0.00 N ATOM 910 CA GLU A 60 -7.483 6.764 -5.711 1.00 0.00 C ATOM 911 C GLU A 60 -7.585 5.673 -6.778 1.00 0.00 C ATOM 912 O GLU A 60 -7.474 4.495 -6.447 1.00 0.00 O ATOM 913 CB GLU A 60 -8.868 7.099 -5.150 1.00 0.00 C ATOM 914 CG GLU A 60 -9.618 5.839 -4.704 1.00 0.00 C ATOM 915 CD GLU A 60 -10.986 6.154 -4.097 1.00 0.00 C ATOM 916 OE1 GLU A 60 -11.343 7.352 -4.036 1.00 0.00 O ATOM 917 OE2 GLU A 60 -11.671 5.186 -3.696 1.00 0.00 O ATOM 0 H GLU A 60 -7.485 8.815 -6.081 1.00 0.00 H new ATOM 0 HA GLU A 60 -6.835 6.364 -4.931 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -8.764 7.779 -4.305 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -9.452 7.621 -5.908 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -9.748 5.176 -5.559 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -9.015 5.301 -3.972 1.00 0.00 H new ATOM 924 N ARG A 61 -7.789 6.028 -8.051 1.00 0.00 N ATOM 925 CA ARG A 61 -7.911 5.015 -9.093 1.00 0.00 C ATOM 926 C ARG A 61 -6.645 4.169 -9.159 1.00 0.00 C ATOM 927 O ARG A 61 -6.710 2.958 -9.368 1.00 0.00 O ATOM 928 CB ARG A 61 -8.187 5.707 -10.431 1.00 0.00 C ATOM 929 CG ARG A 61 -8.056 4.758 -11.625 1.00 0.00 C ATOM 930 CD ARG A 61 -8.941 3.522 -11.470 1.00 0.00 C ATOM 931 NE ARG A 61 -10.366 3.878 -11.444 1.00 0.00 N ATOM 932 CZ ARG A 61 -11.116 4.062 -12.532 1.00 0.00 C ATOM 933 NH1 ARG A 61 -10.604 3.926 -13.754 1.00 0.00 N ATOM 934 NH2 ARG A 61 -12.397 4.389 -12.403 1.00 0.00 N ATOM 0 H ARG A 61 -7.871 6.991 -8.376 1.00 0.00 H new ATOM 0 HA ARG A 61 -8.741 4.346 -8.864 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -9.192 6.129 -10.416 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -7.493 6.539 -10.555 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -8.326 5.286 -12.540 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -7.016 4.449 -11.731 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -8.752 2.833 -12.293 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -8.679 2.999 -10.550 1.00 0.00 H new ATOM 0 HE ARG A 61 -10.812 3.992 -10.534 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -9.622 3.677 -13.871 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -11.194 4.071 -14.573 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -12.804 4.499 -11.474 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -12.973 4.530 -13.233 1.00 0.00 H new ATOM 948 N ASN A 62 -5.484 4.795 -8.978 1.00 0.00 N ATOM 949 CA ASN A 62 -4.226 4.073 -9.018 1.00 0.00 C ATOM 950 C ASN A 62 -4.055 3.201 -7.775 1.00 0.00 C ATOM 951 O ASN A 62 -3.337 2.205 -7.816 1.00 0.00 O ATOM 952 CB ASN A 62 -3.095 5.091 -9.134 1.00 0.00 C ATOM 953 CG ASN A 62 -3.006 5.656 -10.543 1.00 0.00 C ATOM 954 OD1 ASN A 62 -3.102 6.865 -10.737 1.00 0.00 O ATOM 955 ND2 ASN A 62 -2.823 4.787 -11.528 1.00 0.00 N ATOM 0 H ASN A 62 -5.394 5.796 -8.803 1.00 0.00 H new ATOM 0 HA ASN A 62 -4.210 3.405 -9.879 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -3.258 5.902 -8.424 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -2.149 4.619 -8.868 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -2.757 5.115 -12.492 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -2.749 3.791 -11.322 1.00 0.00 H new ATOM 962 N ALA A 63 -4.712 3.567 -6.671 1.00 0.00 N ATOM 963 CA ALA A 63 -4.650 2.786 -5.447 1.00 0.00 C ATOM 964 C ALA A 63 -5.505 1.532 -5.583 1.00 0.00 C ATOM 965 O ALA A 63 -5.134 0.471 -5.086 1.00 0.00 O ATOM 966 CB ALA A 63 -5.118 3.639 -4.268 1.00 0.00 C ATOM 0 H ALA A 63 -5.293 4.403 -6.607 1.00 0.00 H new ATOM 0 HA ALA A 63 -3.620 2.478 -5.266 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -5.070 3.051 -3.352 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -4.473 4.513 -4.172 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -6.145 3.963 -4.438 1.00 0.00 H new ATOM 972 N ARG A 64 -6.652 1.651 -6.260 1.00 0.00 N ATOM 973 CA ARG A 64 -7.535 0.512 -6.475 1.00 0.00 C ATOM 974 C ARG A 64 -6.888 -0.481 -7.438 1.00 0.00 C ATOM 975 O ARG A 64 -7.192 -1.672 -7.391 1.00 0.00 O ATOM 976 CB ARG A 64 -8.870 0.987 -7.058 1.00 0.00 C ATOM 977 CG ARG A 64 -9.620 1.952 -6.137 1.00 0.00 C ATOM 978 CD ARG A 64 -10.037 1.294 -4.820 1.00 0.00 C ATOM 979 NE ARG A 64 -10.795 2.241 -3.999 1.00 0.00 N ATOM 980 CZ ARG A 64 -11.293 1.971 -2.792 1.00 0.00 C ATOM 981 NH1 ARG A 64 -11.126 0.773 -2.233 1.00 0.00 N ATOM 982 NH2 ARG A 64 -11.965 2.914 -2.138 1.00 0.00 N ATOM 0 H ARG A 64 -6.986 2.525 -6.666 1.00 0.00 H new ATOM 0 HA ARG A 64 -7.711 0.022 -5.517 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -8.688 1.476 -8.015 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -9.501 0.121 -7.257 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -8.987 2.814 -5.925 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -10.506 2.325 -6.650 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -10.643 0.411 -5.022 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -9.154 0.957 -4.278 1.00 0.00 H new ATOM 0 HE ARG A 64 -10.953 3.175 -4.378 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -10.611 0.046 -2.729 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -11.513 0.583 -1.309 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -12.095 3.833 -2.560 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -12.350 2.718 -1.214 1.00 0.00 H new ATOM 996 N ALA A 65 -5.999 0.002 -8.310 1.00 0.00 N ATOM 997 CA ALA A 65 -5.336 -0.858 -9.277 1.00 0.00 C ATOM 998 C ALA A 65 -4.207 -1.649 -8.619 1.00 0.00 C ATOM 999 O ALA A 65 -3.939 -2.781 -9.014 1.00 0.00 O ATOM 1000 CB ALA A 65 -4.812 0.010 -10.424 1.00 0.00 C ATOM 0 H ALA A 65 -5.726 0.983 -8.361 1.00 0.00 H new ATOM 0 HA ALA A 65 -6.046 -1.585 -9.670 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -4.311 -0.621 -11.158 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -5.646 0.528 -10.898 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -4.105 0.742 -10.033 1.00 0.00 H new ATOM 1006 N ALA A 66 -3.540 -1.068 -7.619 1.00 0.00 N ATOM 1007 CA ALA A 66 -2.466 -1.752 -6.924 1.00 0.00 C ATOM 1008 C ALA A 66 -3.004 -2.675 -5.834 1.00 0.00 C ATOM 1009 O ALA A 66 -2.444 -3.744 -5.596 1.00 0.00 O ATOM 1010 CB ALA A 66 -1.533 -0.697 -6.349 1.00 0.00 C ATOM 0 H ALA A 66 -3.730 -0.126 -7.278 1.00 0.00 H new ATOM 0 HA ALA A 66 -1.921 -2.389 -7.621 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -0.714 -1.185 -5.820 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -1.130 -0.088 -7.158 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -2.085 -0.062 -5.657 1.00 0.00 H new ATOM 1016 N VAL A 67 -4.092 -2.280 -5.164 1.00 0.00 N ATOM 1017 CA VAL A 67 -4.743 -3.130 -4.174 1.00 0.00 C ATOM 1018 C VAL A 67 -5.313 -4.374 -4.849 1.00 0.00 C ATOM 1019 O VAL A 67 -5.383 -5.430 -4.228 1.00 0.00 O ATOM 1020 CB VAL A 67 -5.852 -2.334 -3.477 1.00 0.00 C ATOM 1021 CG1 VAL A 67 -6.756 -3.227 -2.625 1.00 0.00 C ATOM 1022 CG2 VAL A 67 -5.238 -1.285 -2.552 1.00 0.00 C ATOM 0 H VAL A 67 -4.538 -1.372 -5.294 1.00 0.00 H new ATOM 0 HA VAL A 67 -4.015 -3.451 -3.429 1.00 0.00 H new ATOM 0 HB VAL A 67 -6.447 -1.871 -4.264 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -7.526 -2.618 -2.151 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -7.226 -3.979 -3.259 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -6.160 -3.721 -1.857 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -6.033 -0.724 -2.060 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -4.623 -1.779 -1.799 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -4.619 -0.603 -3.135 1.00 0.00 H new ATOM 1032 N ALA A 68 -5.716 -4.261 -6.114 1.00 0.00 N ATOM 1033 CA ALA A 68 -6.235 -5.399 -6.860 1.00 0.00 C ATOM 1034 C ALA A 68 -5.162 -6.071 -7.720 1.00 0.00 C ATOM 1035 O ALA A 68 -5.401 -7.147 -8.268 1.00 0.00 O ATOM 1036 CB ALA A 68 -7.413 -4.939 -7.717 1.00 0.00 C ATOM 0 H ALA A 68 -5.692 -3.389 -6.642 1.00 0.00 H new ATOM 0 HA ALA A 68 -6.570 -6.151 -6.146 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -7.807 -5.786 -8.279 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -8.195 -4.535 -7.074 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -7.079 -4.167 -8.411 1.00 0.00 H new ATOM 1042 N GLY A 69 -3.984 -5.453 -7.843 1.00 0.00 N ATOM 1043 CA GLY A 69 -2.909 -5.974 -8.678 1.00 0.00 C ATOM 1044 C GLY A 69 -1.790 -6.658 -7.887 1.00 0.00 C ATOM 1045 O GLY A 69 -0.967 -7.350 -8.484 1.00 0.00 O ATOM 0 H GLY A 69 -3.754 -4.581 -7.367 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -3.327 -6.686 -9.389 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -2.483 -5.156 -9.259 1.00 0.00 H new ATOM 1049 N GLU A 70 -1.745 -6.476 -6.564 1.00 0.00 N ATOM 1050 CA GLU A 70 -0.646 -6.991 -5.744 1.00 0.00 C ATOM 1051 C GLU A 70 -1.144 -7.708 -4.491 1.00 0.00 C ATOM 1052 O GLU A 70 -0.398 -8.480 -3.898 1.00 0.00 O ATOM 1053 CB GLU A 70 0.268 -5.826 -5.353 1.00 0.00 C ATOM 1054 CG GLU A 70 1.141 -5.370 -6.521 1.00 0.00 C ATOM 1055 CD GLU A 70 2.281 -6.361 -6.750 1.00 0.00 C ATOM 1056 OE1 GLU A 70 3.211 -6.362 -5.916 1.00 0.00 O ATOM 1057 OE2 GLU A 70 2.229 -7.113 -7.748 1.00 0.00 O ATOM 0 H GLU A 70 -2.460 -5.974 -6.037 1.00 0.00 H new ATOM 0 HA GLU A 70 -0.098 -7.726 -6.334 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -0.338 -4.990 -5.005 1.00 0.00 H new ATOM 0 HB3 GLU A 70 0.904 -6.127 -4.520 1.00 0.00 H new ATOM 0 HG2 GLU A 70 0.537 -5.286 -7.424 1.00 0.00 H new ATOM 0 HG3 GLU A 70 1.547 -4.380 -6.315 1.00 0.00 H new ATOM 1064 N ASP A 71 -2.388 -7.479 -4.067 1.00 0.00 N ATOM 1065 CA ASP A 71 -2.904 -8.170 -2.897 1.00 0.00 C ATOM 1066 C ASP A 71 -2.926 -9.673 -3.157 1.00 0.00 C ATOM 1067 O ASP A 71 -3.617 -10.140 -4.063 1.00 0.00 O ATOM 1068 CB ASP A 71 -4.301 -7.652 -2.563 1.00 0.00 C ATOM 1069 CG ASP A 71 -4.890 -8.396 -1.367 1.00 0.00 C ATOM 1070 OD1 ASP A 71 -4.183 -8.475 -0.338 1.00 0.00 O ATOM 1071 OD2 ASP A 71 -6.036 -8.880 -1.491 1.00 0.00 O ATOM 0 H ASP A 71 -3.041 -6.833 -4.510 1.00 0.00 H new ATOM 0 HA ASP A 71 -2.255 -7.977 -2.042 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -4.254 -6.585 -2.345 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -4.954 -7.772 -3.428 1.00 0.00 H new ATOM 1076 N GLY A 72 -2.169 -10.436 -2.360 1.00 0.00 N ATOM 1077 CA GLY A 72 -2.119 -11.881 -2.498 1.00 0.00 C ATOM 1078 C GLY A 72 -1.057 -12.299 -3.506 1.00 0.00 C ATOM 1079 O GLY A 72 -0.993 -13.466 -3.887 1.00 0.00 O ATOM 0 H GLY A 72 -1.583 -10.066 -1.612 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -1.905 -12.335 -1.530 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -3.093 -12.253 -2.816 1.00 0.00 H new ATOM 1083 N ARG A 73 -0.220 -11.349 -3.935 1.00 0.00 N ATOM 1084 CA ARG A 73 0.936 -11.661 -4.752 1.00 0.00 C ATOM 1085 C ARG A 73 1.984 -12.236 -3.809 1.00 0.00 C ATOM 1086 O ARG A 73 1.830 -12.149 -2.591 1.00 0.00 O ATOM 1087 CB ARG A 73 1.418 -10.417 -5.499 1.00 0.00 C ATOM 1088 CG ARG A 73 2.192 -9.473 -4.575 1.00 0.00 C ATOM 1089 CD ARG A 73 3.692 -9.577 -4.846 1.00 0.00 C ATOM 1090 NE ARG A 73 3.999 -9.031 -6.171 1.00 0.00 N ATOM 1091 CZ ARG A 73 4.877 -9.525 -7.045 1.00 0.00 C ATOM 1092 NH1 ARG A 73 5.598 -10.613 -6.769 1.00 0.00 N ATOM 1093 NH2 ARG A 73 5.036 -8.919 -8.215 1.00 0.00 N ATOM 0 H ARG A 73 -0.330 -10.357 -3.724 1.00 0.00 H new ATOM 0 HA ARG A 73 0.705 -12.390 -5.529 1.00 0.00 H new ATOM 0 HB2 ARG A 73 2.054 -10.715 -6.332 1.00 0.00 H new ATOM 0 HB3 ARG A 73 0.562 -9.892 -5.924 1.00 0.00 H new ATOM 0 HG2 ARG A 73 1.858 -8.447 -4.730 1.00 0.00 H new ATOM 0 HG3 ARG A 73 1.986 -9.722 -3.534 1.00 0.00 H new ATOM 0 HD2 ARG A 73 4.247 -9.033 -4.082 1.00 0.00 H new ATOM 0 HD3 ARG A 73 4.009 -10.618 -4.790 1.00 0.00 H new ATOM 0 HE ARG A 73 3.492 -8.192 -6.452 1.00 0.00 H new ATOM 0 HH11 ARG A 73 5.484 -11.086 -5.873 1.00 0.00 H new ATOM 0 HH12 ARG A 73 6.263 -10.971 -7.454 1.00 0.00 H new ATOM 0 HH21 ARG A 73 4.490 -8.086 -8.436 1.00 0.00 H new ATOM 0 HH22 ARG A 73 5.704 -9.286 -8.893 1.00 0.00 H new ATOM 1107 N MET A 74 3.051 -12.820 -4.344 1.00 0.00 N ATOM 1108 CA MET A 74 4.044 -13.465 -3.507 1.00 0.00 C ATOM 1109 C MET A 74 5.354 -12.707 -3.610 1.00 0.00 C ATOM 1110 O MET A 74 5.901 -12.550 -4.699 1.00 0.00 O ATOM 1111 CB MET A 74 4.166 -14.932 -3.908 1.00 0.00 C ATOM 1112 CG MET A 74 5.018 -15.683 -2.885 1.00 0.00 C ATOM 1113 SD MET A 74 4.802 -17.478 -2.943 1.00 0.00 S ATOM 1114 CE MET A 74 3.112 -17.571 -2.287 1.00 0.00 C ATOM 0 H MET A 74 3.245 -12.858 -5.345 1.00 0.00 H new ATOM 0 HA MET A 74 3.745 -13.445 -2.459 1.00 0.00 H new ATOM 0 HB2 MET A 74 3.176 -15.384 -3.971 1.00 0.00 H new ATOM 0 HB3 MET A 74 4.617 -15.011 -4.897 1.00 0.00 H new ATOM 0 HG2 MET A 74 6.068 -15.446 -3.055 1.00 0.00 H new ATOM 0 HG3 MET A 74 4.769 -15.327 -1.885 1.00 0.00 H new ATOM 0 HE1 MET A 74 2.691 -18.552 -2.505 1.00 0.00 H new ATOM 0 HE2 MET A 74 3.131 -17.416 -1.208 1.00 0.00 H new ATOM 0 HE3 MET A 74 2.498 -16.801 -2.754 1.00 0.00 H new ATOM 1124 N ILE A 75 5.849 -12.236 -2.466 1.00 0.00 N ATOM 1125 CA ILE A 75 7.098 -11.499 -2.412 1.00 0.00 C ATOM 1126 C ILE A 75 7.993 -12.092 -1.332 1.00 0.00 C ATOM 1127 O ILE A 75 7.530 -12.394 -0.233 1.00 0.00 O ATOM 1128 CB ILE A 75 6.792 -10.007 -2.221 1.00 0.00 C ATOM 1129 CG1 ILE A 75 7.082 -9.306 -3.556 1.00 0.00 C ATOM 1130 CG2 ILE A 75 7.595 -9.394 -1.072 1.00 0.00 C ATOM 1131 CD1 ILE A 75 6.757 -7.810 -3.528 1.00 0.00 C ATOM 0 H ILE A 75 5.395 -12.356 -1.561 1.00 0.00 H new ATOM 0 HA ILE A 75 7.652 -11.587 -3.347 1.00 0.00 H new ATOM 0 HB ILE A 75 5.746 -9.876 -1.943 1.00 0.00 H new ATOM 0 HG12 ILE A 75 8.134 -9.439 -3.809 1.00 0.00 H new ATOM 0 HG13 ILE A 75 6.501 -9.784 -4.345 1.00 0.00 H new ATOM 0 HG21 ILE A 75 7.344 -8.338 -0.976 1.00 0.00 H new ATOM 0 HG22 ILE A 75 7.353 -9.910 -0.143 1.00 0.00 H new ATOM 0 HG23 ILE A 75 8.661 -9.497 -1.277 1.00 0.00 H new ATOM 0 HD11 ILE A 75 6.983 -7.370 -4.499 1.00 0.00 H new ATOM 0 HD12 ILE A 75 5.699 -7.672 -3.304 1.00 0.00 H new ATOM 0 HD13 ILE A 75 7.357 -7.322 -2.760 1.00 0.00 H new ATOM 1143 N ALA A 76 9.280 -12.257 -1.651 1.00 0.00 N ATOM 1144 CA ALA A 76 10.242 -12.921 -0.785 1.00 0.00 C ATOM 1145 C ALA A 76 9.772 -14.322 -0.376 1.00 0.00 C ATOM 1146 O ALA A 76 10.280 -14.888 0.592 1.00 0.00 O ATOM 1147 CB ALA A 76 10.554 -12.041 0.420 1.00 0.00 C ATOM 0 H ALA A 76 9.682 -11.927 -2.529 1.00 0.00 H new ATOM 0 HA ALA A 76 11.166 -13.066 -1.344 1.00 0.00 H new ATOM 0 HB1 ALA A 76 11.275 -12.546 1.063 1.00 0.00 H new ATOM 0 HB2 ALA A 76 10.972 -11.094 0.080 1.00 0.00 H new ATOM 0 HB3 ALA A 76 9.638 -11.853 0.980 1.00 0.00 H new ATOM 1153 N GLY A 77 8.805 -14.882 -1.110 1.00 0.00 N ATOM 1154 CA GLY A 77 8.257 -16.198 -0.833 1.00 0.00 C ATOM 1155 C GLY A 77 7.077 -16.136 0.133 1.00 0.00 C ATOM 1156 O GLY A 77 6.550 -17.176 0.523 1.00 0.00 O ATOM 0 H GLY A 77 8.383 -14.425 -1.918 1.00 0.00 H new ATOM 0 HA2 GLY A 77 7.937 -16.661 -1.766 1.00 0.00 H new ATOM 0 HA3 GLY A 77 9.036 -16.834 -0.413 1.00 0.00 H new ATOM 1160 N GLN A 78 6.655 -14.927 0.523 1.00 0.00 N ATOM 1161 CA GLN A 78 5.557 -14.734 1.452 1.00 0.00 C ATOM 1162 C GLN A 78 4.479 -13.855 0.810 1.00 0.00 C ATOM 1163 O GLN A 78 4.772 -12.795 0.261 1.00 0.00 O ATOM 1164 CB GLN A 78 6.155 -14.154 2.737 1.00 0.00 C ATOM 1165 CG GLN A 78 5.105 -13.690 3.744 1.00 0.00 C ATOM 1166 CD GLN A 78 5.270 -12.199 3.999 1.00 0.00 C ATOM 1167 OE1 GLN A 78 5.162 -11.399 2.942 1.00 0.00 O flip ATOM 1168 NE2 GLN A 78 5.489 -11.770 5.130 1.00 0.00 N flip ATOM 0 H GLN A 78 7.074 -14.056 0.196 1.00 0.00 H new ATOM 0 HA GLN A 78 5.052 -15.667 1.703 1.00 0.00 H new ATOM 0 HB2 GLN A 78 6.788 -14.907 3.206 1.00 0.00 H new ATOM 0 HB3 GLN A 78 6.798 -13.312 2.481 1.00 0.00 H new ATOM 0 HG2 GLN A 78 4.105 -13.896 3.363 1.00 0.00 H new ATOM 0 HG3 GLN A 78 5.211 -14.243 4.677 1.00 0.00 H new ATOM 0 HE21 GLN A 78 5.565 -12.417 5.915 1.00 0.00 H new ATOM 0 HE22 GLN A 78 5.595 -10.767 5.283 1.00 0.00 H new ATOM 1177 N VAL A 79 3.226 -14.306 0.886 1.00 0.00 N ATOM 1178 CA VAL A 79 2.071 -13.615 0.322 1.00 0.00 C ATOM 1179 C VAL A 79 1.873 -12.271 1.009 1.00 0.00 C ATOM 1180 O VAL A 79 2.033 -12.172 2.225 1.00 0.00 O ATOM 1181 CB VAL A 79 0.823 -14.487 0.500 1.00 0.00 C ATOM 1182 CG1 VAL A 79 -0.395 -13.832 -0.139 1.00 0.00 C ATOM 1183 CG2 VAL A 79 1.027 -15.850 -0.162 1.00 0.00 C ATOM 0 H VAL A 79 2.983 -15.180 1.352 1.00 0.00 H new ATOM 0 HA VAL A 79 2.241 -13.437 -0.740 1.00 0.00 H new ATOM 0 HB VAL A 79 0.659 -14.606 1.571 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -1.267 -14.471 0.001 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -0.575 -12.864 0.329 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -0.216 -13.692 -1.205 1.00 0.00 H new ATOM 0 HG21 VAL A 79 0.132 -16.458 -0.027 1.00 0.00 H new ATOM 0 HG22 VAL A 79 1.215 -15.713 -1.227 1.00 0.00 H new ATOM 0 HG23 VAL A 79 1.879 -16.353 0.295 1.00 0.00 H new ATOM 1193 N LEU A 80 1.524 -11.240 0.236 1.00 0.00 N ATOM 1194 CA LEU A 80 1.255 -9.916 0.783 1.00 0.00 C ATOM 1195 C LEU A 80 -0.232 -9.719 1.054 1.00 0.00 C ATOM 1196 O LEU A 80 -1.077 -10.371 0.441 1.00 0.00 O ATOM 1197 CB LEU A 80 1.762 -8.825 -0.164 1.00 0.00 C ATOM 1198 CG LEU A 80 3.237 -8.987 -0.529 1.00 0.00 C ATOM 1199 CD1 LEU A 80 3.688 -7.744 -1.291 1.00 0.00 C ATOM 1200 CD2 LEU A 80 4.100 -9.127 0.721 1.00 0.00 C ATOM 0 H LEU A 80 1.422 -11.302 -0.777 1.00 0.00 H new ATOM 0 HA LEU A 80 1.789 -9.839 1.730 1.00 0.00 H new ATOM 0 HB2 LEU A 80 1.165 -8.837 -1.076 1.00 0.00 H new ATOM 0 HB3 LEU A 80 1.614 -7.851 0.301 1.00 0.00 H new ATOM 0 HG LEU A 80 3.350 -9.886 -1.135 1.00 0.00 H new ATOM 0 HD11 LEU A 80 4.740 -7.843 -1.559 1.00 0.00 H new ATOM 0 HD12 LEU A 80 3.091 -7.636 -2.197 1.00 0.00 H new ATOM 0 HD13 LEU A 80 3.556 -6.864 -0.662 1.00 0.00 H new ATOM 0 HD21 LEU A 80 5.145 -9.241 0.431 1.00 0.00 H new ATOM 0 HD22 LEU A 80 3.990 -8.237 1.340 1.00 0.00 H new ATOM 0 HD23 LEU A 80 3.783 -10.004 1.286 1.00 0.00 H new ATOM 1212 N ASP A 81 -0.544 -8.809 1.979 1.00 0.00 N ATOM 1213 CA ASP A 81 -1.913 -8.425 2.277 1.00 0.00 C ATOM 1214 C ASP A 81 -2.015 -6.914 2.111 1.00 0.00 C ATOM 1215 O ASP A 81 -1.598 -6.151 2.981 1.00 0.00 O ATOM 1216 CB ASP A 81 -2.302 -8.897 3.678 1.00 0.00 C ATOM 1217 CG ASP A 81 -2.518 -10.410 3.703 1.00 0.00 C ATOM 1218 OD1 ASP A 81 -3.479 -10.868 3.043 1.00 0.00 O ATOM 1219 OD2 ASP A 81 -1.724 -11.097 4.380 1.00 0.00 O ATOM 0 H ASP A 81 0.153 -8.320 2.541 1.00 0.00 H new ATOM 0 HA ASP A 81 -2.617 -8.900 1.594 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -1.521 -8.625 4.388 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -3.213 -8.390 3.997 1.00 0.00 H new ATOM 1224 N ILE A 82 -2.573 -6.497 0.974 1.00 0.00 N ATOM 1225 CA ILE A 82 -2.572 -5.110 0.544 1.00 0.00 C ATOM 1226 C ILE A 82 -4.001 -4.580 0.536 1.00 0.00 C ATOM 1227 O ILE A 82 -4.923 -5.275 0.112 1.00 0.00 O ATOM 1228 CB ILE A 82 -1.888 -5.036 -0.823 1.00 0.00 C ATOM 1229 CG1 ILE A 82 -0.413 -5.402 -0.616 1.00 0.00 C ATOM 1230 CG2 ILE A 82 -1.993 -3.637 -1.434 1.00 0.00 C ATOM 1231 CD1 ILE A 82 0.237 -5.848 -1.915 1.00 0.00 C ATOM 0 H ILE A 82 -3.043 -7.125 0.322 1.00 0.00 H new ATOM 0 HA ILE A 82 -2.013 -4.474 1.230 1.00 0.00 H new ATOM 0 HB ILE A 82 -2.377 -5.724 -1.513 1.00 0.00 H new ATOM 0 HG12 ILE A 82 0.124 -4.542 -0.216 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -0.335 -6.199 0.124 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -1.495 -3.625 -2.404 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -3.043 -3.374 -1.562 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -1.515 -2.914 -0.772 1.00 0.00 H new ATOM 0 HD11 ILE A 82 1.282 -6.100 -1.732 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -0.285 -6.724 -2.301 1.00 0.00 H new ATOM 0 HD13 ILE A 82 0.181 -5.041 -2.646 1.00 0.00 H new ATOM 1243 N ASN A 83 -4.180 -3.346 1.005 1.00 0.00 N ATOM 1244 CA ASN A 83 -5.492 -2.740 1.167 1.00 0.00 C ATOM 1245 C ASN A 83 -5.358 -1.220 1.124 1.00 0.00 C ATOM 1246 O ASN A 83 -4.274 -0.691 1.361 1.00 0.00 O ATOM 1247 CB ASN A 83 -6.055 -3.209 2.511 1.00 0.00 C ATOM 1248 CG ASN A 83 -7.514 -2.831 2.672 1.00 0.00 C ATOM 1249 OD1 ASN A 83 -8.406 -3.565 2.251 1.00 0.00 O ATOM 1250 ND2 ASN A 83 -7.780 -1.683 3.283 1.00 0.00 N ATOM 0 H ASN A 83 -3.410 -2.738 1.284 1.00 0.00 H new ATOM 0 HA ASN A 83 -6.168 -3.036 0.365 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -5.949 -4.291 2.592 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -5.474 -2.770 3.322 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -8.747 -1.388 3.415 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -7.017 -1.096 3.621 1.00 0.00 H new ATOM 1257 N LEU A 84 -6.441 -0.499 0.821 1.00 0.00 N ATOM 1258 CA LEU A 84 -6.430 0.951 0.869 1.00 0.00 C ATOM 1259 C LEU A 84 -6.109 1.410 2.293 1.00 0.00 C ATOM 1260 O LEU A 84 -6.554 0.792 3.258 1.00 0.00 O ATOM 1261 CB LEU A 84 -7.794 1.478 0.420 1.00 0.00 C ATOM 1262 CG LEU A 84 -7.660 2.881 -0.166 1.00 0.00 C ATOM 1263 CD1 LEU A 84 -7.078 2.787 -1.575 1.00 0.00 C ATOM 1264 CD2 LEU A 84 -9.031 3.545 -0.239 1.00 0.00 C ATOM 0 H LEU A 84 -7.334 -0.904 0.540 1.00 0.00 H new ATOM 0 HA LEU A 84 -5.665 1.345 0.199 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -8.223 0.806 -0.324 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -8.480 1.495 1.267 1.00 0.00 H new ATOM 0 HG LEU A 84 -7.002 3.473 0.471 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -6.981 3.788 -1.996 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -6.097 2.315 -1.533 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -7.740 2.191 -2.203 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -8.929 4.546 -0.658 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -9.689 2.952 -0.873 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -9.456 3.613 0.762 1.00 0.00 H new ATOM 1276 N ALA A 85 -5.341 2.490 2.436 1.00 0.00 N ATOM 1277 CA ALA A 85 -4.903 2.959 3.744 1.00 0.00 C ATOM 1278 C ALA A 85 -6.044 3.476 4.628 1.00 0.00 C ATOM 1279 O ALA A 85 -5.794 3.886 5.758 1.00 0.00 O ATOM 1280 CB ALA A 85 -3.846 4.044 3.558 1.00 0.00 C ATOM 0 H ALA A 85 -5.010 3.057 1.656 1.00 0.00 H new ATOM 0 HA ALA A 85 -4.486 2.099 4.269 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -3.514 4.399 4.533 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -2.996 3.634 3.012 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -4.272 4.874 2.995 1.00 0.00 H new ATOM 1286 N ALA A 86 -7.285 3.466 4.136 1.00 0.00 N ATOM 1287 CA ALA A 86 -8.422 3.997 4.878 1.00 0.00 C ATOM 1288 C ALA A 86 -9.618 3.043 4.869 1.00 0.00 C ATOM 1289 O ALA A 86 -10.729 3.452 5.198 1.00 0.00 O ATOM 1290 CB ALA A 86 -8.779 5.365 4.308 1.00 0.00 C ATOM 0 H ALA A 86 -7.525 3.092 3.218 1.00 0.00 H new ATOM 0 HA ALA A 86 -8.144 4.104 5.926 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -9.629 5.776 4.853 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -7.925 6.035 4.408 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -9.039 5.264 3.254 1.00 0.00 H new ATOM 1296 N GLU A 87 -9.397 1.779 4.496 1.00 0.00 N ATOM 1297 CA GLU A 87 -10.454 0.778 4.458 1.00 0.00 C ATOM 1298 C GLU A 87 -10.002 -0.555 5.065 1.00 0.00 C ATOM 1299 O GLU A 87 -10.284 -1.605 4.483 1.00 0.00 O ATOM 1300 CB GLU A 87 -10.939 0.576 3.015 1.00 0.00 C ATOM 1301 CG GLU A 87 -11.513 1.863 2.421 1.00 0.00 C ATOM 1302 CD GLU A 87 -12.061 1.643 1.012 1.00 0.00 C ATOM 1303 OE1 GLU A 87 -11.777 0.574 0.430 1.00 0.00 O ATOM 1304 OE2 GLU A 87 -12.768 2.549 0.517 1.00 0.00 O ATOM 0 H GLU A 87 -8.482 1.427 4.214 1.00 0.00 H new ATOM 0 HA GLU A 87 -11.281 1.146 5.065 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -10.110 0.230 2.398 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -11.700 -0.205 2.993 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -12.308 2.238 3.066 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -10.737 2.628 2.394 1.00 0.00 H new ATOM 1311 N PRO A 88 -9.304 -0.557 6.212 1.00 0.00 N ATOM 1312 CA PRO A 88 -8.797 -1.773 6.818 1.00 0.00 C ATOM 1313 C PRO A 88 -9.959 -2.705 7.154 1.00 0.00 C ATOM 1314 O PRO A 88 -11.062 -2.244 7.450 1.00 0.00 O ATOM 1315 CB PRO A 88 -8.020 -1.337 8.061 1.00 0.00 C ATOM 1316 CG PRO A 88 -8.641 0.017 8.412 1.00 0.00 C ATOM 1317 CD PRO A 88 -8.975 0.594 7.037 1.00 0.00 C ATOM 0 HA PRO A 88 -8.142 -2.331 6.149 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -8.131 -2.053 8.875 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -6.953 -1.249 7.857 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -9.530 -0.093 9.033 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -7.946 0.652 8.961 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -9.812 1.290 7.094 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -8.130 1.145 6.625 1.00 0.00 H new ATOM 1325 N LYS A 89 -9.710 -4.016 7.106 1.00 0.00 N ATOM 1326 CA LYS A 89 -10.774 -5.002 7.230 1.00 0.00 C ATOM 1327 C LYS A 89 -10.384 -6.191 8.108 1.00 0.00 C ATOM 1328 O LYS A 89 -10.642 -6.163 9.310 1.00 0.00 O ATOM 1329 CB LYS A 89 -11.282 -5.397 5.832 1.00 0.00 C ATOM 1330 CG LYS A 89 -10.165 -5.545 4.785 1.00 0.00 C ATOM 1331 CD LYS A 89 -10.731 -5.999 3.438 1.00 0.00 C ATOM 1332 CE LYS A 89 -11.762 -5.011 2.881 1.00 0.00 C ATOM 1333 NZ LYS A 89 -11.178 -3.671 2.673 1.00 0.00 N ATOM 0 H LYS A 89 -8.779 -4.414 6.982 1.00 0.00 H new ATOM 0 HA LYS A 89 -11.609 -4.547 7.764 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -11.825 -6.339 5.906 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -11.993 -4.645 5.488 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -9.647 -4.593 4.664 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -9.427 -6.267 5.135 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -9.916 -6.113 2.723 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -11.194 -6.979 3.552 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -12.154 -5.388 1.936 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -12.604 -4.938 3.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -11.652 -3.206 1.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -11.308 -3.099 3.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -10.162 -3.763 2.469 1.00 0.00 H new ATOM 1347 N VAL A 90 -9.769 -7.225 7.529 1.00 0.00 N ATOM 1348 CA VAL A 90 -9.493 -8.471 8.239 1.00 0.00 C ATOM 1349 C VAL A 90 -8.093 -9.006 7.953 1.00 0.00 C ATOM 1350 O VAL A 90 -7.500 -9.677 8.797 1.00 0.00 O ATOM 1351 CB VAL A 90 -10.538 -9.508 7.800 1.00 0.00 C ATOM 1352 CG1 VAL A 90 -10.183 -10.909 8.290 1.00 0.00 C ATOM 1353 CG2 VAL A 90 -11.922 -9.131 8.330 1.00 0.00 C ATOM 0 H VAL A 90 -9.451 -7.220 6.560 1.00 0.00 H new ATOM 0 HA VAL A 90 -9.547 -8.278 9.310 1.00 0.00 H new ATOM 0 HB VAL A 90 -10.547 -9.512 6.710 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -10.946 -11.614 7.960 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -9.216 -11.203 7.882 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -10.134 -10.912 9.379 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -12.650 -9.876 8.009 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -11.897 -9.093 9.419 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -12.207 -8.154 7.940 1.00 0.00 H new ATOM 1363 N ASN A 91 -7.556 -8.714 6.767 1.00 0.00 N ATOM 1364 CA ASN A 91 -6.299 -9.296 6.323 1.00 0.00 C ATOM 1365 C ASN A 91 -5.075 -8.546 6.857 1.00 0.00 C ATOM 1366 O ASN A 91 -3.950 -8.851 6.465 1.00 0.00 O ATOM 1367 CB ASN A 91 -6.306 -9.413 4.798 1.00 0.00 C ATOM 1368 CG ASN A 91 -7.301 -10.469 4.327 1.00 0.00 C ATOM 1369 OD1 ASN A 91 -6.928 -11.614 4.089 1.00 0.00 O ATOM 1370 ND2 ASN A 91 -8.571 -10.097 4.190 1.00 0.00 N ATOM 0 H ASN A 91 -7.980 -8.073 6.096 1.00 0.00 H new ATOM 0 HA ASN A 91 -6.213 -10.297 6.745 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -6.561 -8.449 4.358 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -5.307 -9.670 4.446 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -9.269 -10.772 3.878 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -8.846 -9.137 4.397 1.00 0.00 H new ATOM 1377 N ARG A 92 -5.281 -7.568 7.746 1.00 0.00 N ATOM 1378 CA ARG A 92 -4.195 -6.844 8.394 1.00 0.00 C ATOM 1379 C ARG A 92 -4.180 -7.132 9.897 1.00 0.00 C ATOM 1380 O ARG A 92 -3.692 -6.330 10.688 1.00 0.00 O ATOM 1381 CB ARG A 92 -4.246 -5.349 8.044 1.00 0.00 C ATOM 1382 CG ARG A 92 -5.300 -4.587 8.852 1.00 0.00 C ATOM 1383 CD ARG A 92 -4.640 -3.536 9.753 1.00 0.00 C ATOM 1384 NE ARG A 92 -5.646 -2.778 10.505 1.00 0.00 N ATOM 1385 CZ ARG A 92 -5.365 -2.002 11.555 1.00 0.00 C ATOM 1386 NH1 ARG A 92 -4.122 -1.896 12.014 1.00 0.00 N ATOM 1387 NH2 ARG A 92 -6.339 -1.323 12.155 1.00 0.00 N ATOM 0 H ARG A 92 -6.210 -7.260 8.033 1.00 0.00 H new ATOM 0 HA ARG A 92 -3.240 -7.202 8.009 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -3.267 -4.905 8.223 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -4.458 -5.236 6.981 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -6.003 -4.102 8.175 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -5.874 -5.286 9.461 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -3.956 -4.025 10.446 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -4.045 -2.854 9.146 1.00 0.00 H new ATOM 0 HE ARG A 92 -6.619 -2.848 10.208 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -3.366 -2.412 11.563 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -3.924 -1.299 12.817 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -7.297 -1.396 11.813 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -6.128 -0.729 12.957 1.00 0.00 H new ATOM 1401 N GLY A 93 -4.720 -8.293 10.287 1.00 0.00 N ATOM 1402 CA GLY A 93 -4.876 -8.716 11.674 1.00 0.00 C ATOM 1403 C GLY A 93 -3.557 -9.037 12.369 1.00 0.00 C ATOM 1404 O GLY A 93 -3.542 -9.808 13.327 1.00 0.00 O ATOM 0 H GLY A 93 -5.070 -8.982 9.621 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -5.387 -7.929 12.229 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -5.517 -9.597 11.706 1.00 0.00 H new ATOM 1408 N LYS A 94 -2.462 -8.449 11.883 1.00 0.00 N ATOM 1409 CA LYS A 94 -1.109 -8.596 12.403 1.00 0.00 C ATOM 1410 C LYS A 94 -0.555 -10.018 12.388 1.00 0.00 C ATOM 1411 O LYS A 94 0.625 -10.203 12.678 1.00 0.00 O ATOM 1412 CB LYS A 94 -1.021 -7.979 13.794 1.00 0.00 C ATOM 1413 CG LYS A 94 -1.449 -6.514 13.748 1.00 0.00 C ATOM 1414 CD LYS A 94 -1.152 -5.848 15.087 1.00 0.00 C ATOM 1415 CE LYS A 94 -1.592 -4.384 15.036 1.00 0.00 C ATOM 1416 NZ LYS A 94 -1.291 -3.690 16.301 1.00 0.00 N ATOM 0 H LYS A 94 -2.501 -7.827 11.076 1.00 0.00 H new ATOM 0 HA LYS A 94 -0.464 -8.055 11.710 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -1.658 -8.530 14.485 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -0.001 -8.056 14.170 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -0.920 -5.996 12.948 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -2.513 -6.443 13.524 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -1.676 -6.369 15.889 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -0.087 -5.911 15.309 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -1.087 -3.879 14.213 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -2.662 -4.330 14.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -1.601 -2.699 16.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -1.793 -4.159 17.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -0.267 -3.721 16.479 1.00 0.00 H new ATOM 1430 N ALA A 95 -1.372 -11.018 12.059 1.00 0.00 N ATOM 1431 CA ALA A 95 -0.905 -12.387 12.013 1.00 0.00 C ATOM 1432 C ALA A 95 -1.805 -13.253 11.135 1.00 0.00 C ATOM 1433 O ALA A 95 -2.965 -12.915 10.899 1.00 0.00 O ATOM 1434 CB ALA A 95 -0.864 -12.941 13.438 1.00 0.00 C ATOM 0 H ALA A 95 -2.357 -10.898 11.822 1.00 0.00 H new ATOM 0 HA ALA A 95 0.093 -12.406 11.575 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -0.513 -13.973 13.417 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -0.186 -12.339 14.043 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -1.864 -12.906 13.871 1.00 0.00 H new ATOM 1440 N GLY A 96 -1.257 -14.374 10.657 1.00 0.00 N ATOM 1441 CA GLY A 96 -1.984 -15.344 9.853 1.00 0.00 C ATOM 1442 C GLY A 96 -1.883 -16.742 10.455 1.00 0.00 C ATOM 1443 O GLY A 96 -2.488 -17.679 9.937 1.00 0.00 O ATOM 0 H GLY A 96 -0.284 -14.631 10.823 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -3.031 -15.050 9.782 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -1.585 -15.352 8.839 1.00 0.00 H new ATOM 1447 N VAL A 97 -1.125 -16.892 11.547 1.00 0.00 N ATOM 1448 CA VAL A 97 -0.958 -18.171 12.218 1.00 0.00 C ATOM 1449 C VAL A 97 -2.039 -18.330 13.283 1.00 0.00 C ATOM 1450 O VAL A 97 -2.400 -17.367 13.958 1.00 0.00 O ATOM 1451 CB VAL A 97 0.452 -18.283 12.811 1.00 0.00 C ATOM 1452 CG1 VAL A 97 0.676 -19.674 13.405 1.00 0.00 C ATOM 1453 CG2 VAL A 97 1.503 -18.049 11.726 1.00 0.00 C ATOM 0 H VAL A 97 -0.613 -16.126 11.985 1.00 0.00 H new ATOM 0 HA VAL A 97 -1.069 -18.982 11.498 1.00 0.00 H new ATOM 0 HB VAL A 97 0.546 -17.529 13.592 1.00 0.00 H new ATOM 0 HG11 VAL A 97 1.682 -19.734 13.821 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -0.054 -19.855 14.194 1.00 0.00 H new ATOM 0 HG13 VAL A 97 0.560 -20.426 12.624 1.00 0.00 H new ATOM 0 HG21 VAL A 97 2.499 -18.131 12.161 1.00 0.00 H new ATOM 0 HG22 VAL A 97 1.387 -18.795 10.940 1.00 0.00 H new ATOM 0 HG23 VAL A 97 1.373 -17.053 11.302 1.00 0.00 H new ATOM 1463 N LYS A 98 -2.558 -19.550 13.434 1.00 0.00 N ATOM 1464 CA LYS A 98 -3.630 -19.859 14.375 1.00 0.00 C ATOM 1465 C LYS A 98 -3.110 -20.112 15.792 1.00 0.00 C ATOM 1466 O LYS A 98 -3.815 -20.699 16.611 1.00 0.00 O ATOM 1467 CB LYS A 98 -4.437 -21.056 13.860 1.00 0.00 C ATOM 1468 CG LYS A 98 -4.915 -20.912 12.407 1.00 0.00 C ATOM 1469 CD LYS A 98 -5.866 -19.735 12.190 1.00 0.00 C ATOM 1470 CE LYS A 98 -5.121 -18.416 11.977 1.00 0.00 C ATOM 1471 NZ LYS A 98 -6.059 -17.313 11.694 1.00 0.00 N ATOM 0 H LYS A 98 -2.240 -20.358 12.899 1.00 0.00 H new ATOM 0 HA LYS A 98 -4.280 -18.987 14.440 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -3.826 -21.955 13.943 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -5.305 -21.200 14.504 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -4.048 -20.792 11.758 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -5.414 -21.832 12.105 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -6.498 -19.936 11.325 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -6.527 -19.641 13.052 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -4.534 -18.179 12.865 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -4.419 -18.521 11.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -5.526 -16.431 11.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -6.601 -17.530 10.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -6.712 -17.199 12.495 1.00 0.00 H new ATOM 1485 N ARG A 99 -1.882 -19.678 16.086 1.00 0.00 N ATOM 1486 CA ARG A 99 -1.244 -19.887 17.378 1.00 0.00 C ATOM 1487 C ARG A 99 -0.334 -18.704 17.693 1.00 0.00 C ATOM 1488 O ARG A 99 -0.104 -17.853 16.833 1.00 0.00 O ATOM 1489 CB ARG A 99 -0.450 -21.199 17.330 1.00 0.00 C ATOM 1490 CG ARG A 99 -0.300 -21.854 18.707 1.00 0.00 C ATOM 1491 CD ARG A 99 -1.651 -22.353 19.225 1.00 0.00 C ATOM 1492 NE ARG A 99 -1.495 -23.010 20.525 1.00 0.00 N ATOM 1493 CZ ARG A 99 -2.414 -23.795 21.095 1.00 0.00 C ATOM 1494 NH1 ARG A 99 -3.574 -24.037 20.490 1.00 0.00 N ATOM 1495 NH2 ARG A 99 -2.171 -24.345 22.279 1.00 0.00 N ATOM 0 H ARG A 99 -1.300 -19.166 15.423 1.00 0.00 H new ATOM 0 HA ARG A 99 -1.993 -19.958 18.167 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -0.947 -21.895 16.654 1.00 0.00 H new ATOM 0 HB3 ARG A 99 0.539 -21.005 16.916 1.00 0.00 H new ATOM 0 HG2 ARG A 99 0.400 -22.687 18.643 1.00 0.00 H new ATOM 0 HG3 ARG A 99 0.122 -21.137 19.411 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -2.343 -21.516 19.315 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -2.086 -23.050 18.509 1.00 0.00 H new ATOM 0 HE ARG A 99 -0.623 -22.857 21.031 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -3.771 -23.621 19.580 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -4.266 -24.638 20.937 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -1.284 -24.168 22.751 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -2.871 -24.945 22.716 1.00 0.00 H new ATOM 1509 N SER A 100 0.187 -18.646 18.920 1.00 0.00 N ATOM 1510 CA SER A 100 1.087 -17.585 19.355 1.00 0.00 C ATOM 1511 C SER A 100 2.390 -17.575 18.558 1.00 0.00 C ATOM 1512 O SER A 100 3.110 -16.578 18.594 1.00 0.00 O ATOM 1513 CB SER A 100 1.403 -17.792 20.835 1.00 0.00 C ATOM 1514 OG SER A 100 0.225 -17.636 21.598 1.00 0.00 O ATOM 0 H SER A 100 -0.007 -19.340 19.642 1.00 0.00 H new ATOM 0 HA SER A 100 0.593 -16.628 19.189 1.00 0.00 H new ATOM 0 HB2 SER A 100 1.821 -18.786 20.992 1.00 0.00 H new ATOM 0 HB3 SER A 100 2.156 -17.074 21.160 1.00 0.00 H new ATOM 0 HG SER A 100 0.430 -17.771 22.547 1.00 0.00 H new ATOM 1520 N ALA A 101 2.690 -18.672 17.851 1.00 0.00 N ATOM 1521 CA ALA A 101 3.929 -18.843 17.101 1.00 0.00 C ATOM 1522 C ALA A 101 5.178 -18.564 17.949 1.00 0.00 C ATOM 1523 O ALA A 101 6.264 -18.367 17.405 1.00 0.00 O ATOM 1524 CB ALA A 101 3.883 -18.006 15.823 1.00 0.00 C ATOM 0 H ALA A 101 2.065 -19.475 17.787 1.00 0.00 H new ATOM 0 HA ALA A 101 4.011 -19.892 16.816 1.00 0.00 H new ATOM 0 HB1 ALA A 101 4.812 -18.138 15.268 1.00 0.00 H new ATOM 0 HB2 ALA A 101 3.043 -18.328 15.207 1.00 0.00 H new ATOM 0 HB3 ALA A 101 3.762 -16.954 16.081 1.00 0.00 H new ATOM 1530 N ALA A 102 5.028 -18.549 19.276 1.00 0.00 N ATOM 1531 CA ALA A 102 6.116 -18.254 20.196 1.00 0.00 C ATOM 1532 C ALA A 102 5.953 -19.003 21.520 1.00 0.00 C ATOM 1533 O ALA A 102 6.693 -18.757 22.471 1.00 0.00 O ATOM 1534 CB ALA A 102 6.185 -16.745 20.423 1.00 0.00 C ATOM 0 H ALA A 102 4.140 -18.743 19.740 1.00 0.00 H new ATOM 0 HA ALA A 102 7.052 -18.596 19.754 1.00 0.00 H new ATOM 0 HB1 ALA A 102 6.999 -16.518 21.112 1.00 0.00 H new ATOM 0 HB2 ALA A 102 6.363 -16.242 19.473 1.00 0.00 H new ATOM 0 HB3 ALA A 102 5.243 -16.397 20.847 1.00 0.00 H new ATOM 1540 N GLU A 103 4.984 -19.919 21.592 1.00 0.00 N ATOM 1541 CA GLU A 103 4.674 -20.640 22.822 1.00 0.00 C ATOM 1542 C GLU A 103 5.713 -21.715 23.153 1.00 0.00 C ATOM 1543 O GLU A 103 5.614 -22.367 24.191 1.00 0.00 O ATOM 1544 CB GLU A 103 3.283 -21.261 22.712 1.00 0.00 C ATOM 1545 CG GLU A 103 3.194 -22.245 21.541 1.00 0.00 C ATOM 1546 CD GLU A 103 1.874 -23.013 21.561 1.00 0.00 C ATOM 1547 OE1 GLU A 103 0.841 -22.386 21.887 1.00 0.00 O ATOM 1548 OE2 GLU A 103 1.902 -24.223 21.246 1.00 0.00 O ATOM 0 H GLU A 103 4.396 -20.179 20.800 1.00 0.00 H new ATOM 0 HA GLU A 103 4.697 -19.920 23.640 1.00 0.00 H new ATOM 0 HB2 GLU A 103 3.040 -21.777 23.641 1.00 0.00 H new ATOM 0 HB3 GLU A 103 2.541 -20.473 22.582 1.00 0.00 H new ATOM 0 HG2 GLU A 103 3.288 -21.703 20.600 1.00 0.00 H new ATOM 0 HG3 GLU A 103 4.026 -22.947 21.589 1.00 0.00 H new ATOM 1555 N MET A 104 6.707 -21.900 22.279 1.00 0.00 N ATOM 1556 CA MET A 104 7.724 -22.931 22.436 1.00 0.00 C ATOM 1557 C MET A 104 9.146 -22.366 22.359 1.00 0.00 C ATOM 1558 O MET A 104 10.109 -23.131 22.310 1.00 0.00 O ATOM 1559 CB MET A 104 7.491 -24.026 21.393 1.00 0.00 C ATOM 1560 CG MET A 104 7.638 -23.485 19.969 1.00 0.00 C ATOM 1561 SD MET A 104 7.382 -24.724 18.672 1.00 0.00 S ATOM 1562 CE MET A 104 5.624 -25.084 18.932 1.00 0.00 C ATOM 0 H MET A 104 6.825 -21.333 21.440 1.00 0.00 H new ATOM 0 HA MET A 104 7.632 -23.360 23.434 1.00 0.00 H new ATOM 0 HB2 MET A 104 8.202 -24.837 21.550 1.00 0.00 H new ATOM 0 HB3 MET A 104 6.494 -24.447 21.522 1.00 0.00 H new ATOM 0 HG2 MET A 104 6.925 -22.673 19.826 1.00 0.00 H new ATOM 0 HG3 MET A 104 8.634 -23.058 19.856 1.00 0.00 H new ATOM 0 HE1 MET A 104 5.230 -25.618 18.067 1.00 0.00 H new ATOM 0 HE2 MET A 104 5.507 -25.700 19.823 1.00 0.00 H new ATOM 0 HE3 MET A 104 5.077 -24.150 19.062 1.00 0.00 H new ATOM 1572 N TYR A 105 9.286 -21.037 22.348 1.00 0.00 N ATOM 1573 CA TYR A 105 10.588 -20.384 22.288 1.00 0.00 C ATOM 1574 C TYR A 105 10.781 -19.414 23.452 1.00 0.00 C ATOM 1575 O TYR A 105 11.882 -18.904 23.657 1.00 0.00 O ATOM 1576 CB TYR A 105 10.731 -19.653 20.953 1.00 0.00 C ATOM 1577 CG TYR A 105 10.447 -20.516 19.744 1.00 0.00 C ATOM 1578 CD1 TYR A 105 11.233 -21.648 19.487 1.00 0.00 C ATOM 1579 CD2 TYR A 105 9.394 -20.180 18.885 1.00 0.00 C ATOM 1580 CE1 TYR A 105 10.968 -22.445 18.364 1.00 0.00 C ATOM 1581 CE2 TYR A 105 9.118 -20.973 17.762 1.00 0.00 C ATOM 1582 CZ TYR A 105 9.911 -22.110 17.495 1.00 0.00 C ATOM 1583 OH TYR A 105 9.656 -22.881 16.401 1.00 0.00 O ATOM 0 H TYR A 105 8.499 -20.389 22.380 1.00 0.00 H new ATOM 0 HA TYR A 105 11.361 -21.148 22.368 1.00 0.00 H new ATOM 0 HB2 TYR A 105 10.054 -18.799 20.944 1.00 0.00 H new ATOM 0 HB3 TYR A 105 11.744 -19.257 20.874 1.00 0.00 H new ATOM 0 HD1 TYR A 105 12.042 -21.906 20.154 1.00 0.00 H new ATOM 0 HD2 TYR A 105 8.792 -19.307 19.088 1.00 0.00 H new ATOM 0 HE1 TYR A 105 11.575 -23.316 18.165 1.00 0.00 H new ATOM 0 HE2 TYR A 105 8.302 -20.715 17.104 1.00 0.00 H new ATOM 0 HH TYR A 105 8.893 -22.510 15.910 1.00 0.00 H new ATOM 1593 N GLY A 106 9.714 -19.155 24.216 1.00 0.00 N ATOM 1594 CA GLY A 106 9.750 -18.264 25.366 1.00 0.00 C ATOM 1595 C GLY A 106 10.052 -16.827 24.950 1.00 0.00 C ATOM 1596 O GLY A 106 10.228 -16.552 23.766 1.00 0.00 O ATOM 1597 OXT GLY A 106 10.123 -15.931 25.773 1.00 0.00 O ATOM 0 H GLY A 106 8.796 -19.565 24.046 1.00 0.00 H new ATOM 0 HA2 GLY A 106 8.793 -18.300 25.886 1.00 0.00 H new ATOM 0 HA3 GLY A 106 10.508 -18.607 26.070 1.00 0.00 H new TER 1601 GLY A 106 ATOM 1602 O5' U B 1 4.135 -6.412 10.666 1.00 0.00 O ATOM 1603 C5' U B 1 2.823 -6.139 11.100 1.00 0.00 C ATOM 1604 C4' U B 1 2.164 -5.116 10.170 1.00 0.00 C ATOM 1605 O4' U B 1 1.912 -5.627 8.874 1.00 0.00 O ATOM 1606 C3' U B 1 0.812 -4.756 10.767 1.00 0.00 C ATOM 1607 O3' U B 1 0.559 -3.383 10.583 1.00 0.00 O ATOM 1608 C2' U B 1 -0.168 -5.637 10.001 1.00 0.00 C ATOM 1609 O2' U B 1 -1.247 -4.890 9.485 1.00 0.00 O ATOM 1610 C1' U B 1 0.637 -6.238 8.855 1.00 0.00 C ATOM 1611 N1 U B 1 0.662 -7.723 8.972 1.00 0.00 N ATOM 1612 C2 U B 1 1.856 -8.448 8.959 1.00 0.00 C ATOM 1613 O2 U B 1 2.966 -7.940 8.843 1.00 0.00 O ATOM 1614 N3 U B 1 1.744 -9.825 9.084 1.00 0.00 N ATOM 1615 C4 U B 1 0.566 -10.544 9.164 1.00 0.00 C ATOM 1616 O4 U B 1 0.581 -11.771 9.232 1.00 0.00 O ATOM 1617 C5 U B 1 -0.620 -9.720 9.156 1.00 0.00 C ATOM 1618 C6 U B 1 -0.532 -8.376 9.072 1.00 0.00 C ATOM 0 H5' U B 1 2.841 -5.756 12.120 1.00 0.00 H new ATOM 0 H5'' U B 1 2.238 -7.058 11.115 1.00 0.00 H new ATOM 0 H4' U B 1 2.844 -4.269 10.080 1.00 0.00 H new ATOM 0 H3' U B 1 0.743 -4.924 11.842 1.00 0.00 H new ATOM 0 H2' U B 1 -0.599 -6.395 10.655 1.00 0.00 H new ATOM 0 HO2' U B 1 -1.755 -4.495 10.224 1.00 0.00 H new ATOM 0 HO5' U B 1 4.105 -7.001 9.883 1.00 0.00 H new ATOM 0 H1' U B 1 0.187 -6.042 7.882 1.00 0.00 H new ATOM 0 H3 U B 1 2.613 -10.357 9.120 1.00 0.00 H new ATOM 0 H5 U B 1 -1.592 -10.186 9.218 1.00 0.00 H new ATOM 0 H6 U B 1 -1.442 -7.795 9.084 1.00 0.00 H new ATOM 1629 P U B 2 -0.443 -2.610 11.561 1.00 0.00 P ATOM 1630 OP1 U B 2 0.204 -2.475 12.885 1.00 0.00 O ATOM 1631 OP2 U B 2 -1.779 -3.240 11.456 1.00 0.00 O ATOM 1632 O5' U B 2 -0.522 -1.162 10.881 1.00 0.00 O ATOM 1633 C5' U B 2 0.649 -0.411 10.660 1.00 0.00 C ATOM 1634 C4' U B 2 0.277 1.010 10.250 1.00 0.00 C ATOM 1635 O4' U B 2 -0.405 0.993 9.008 1.00 0.00 O ATOM 1636 C3' U B 2 -0.658 1.616 11.301 1.00 0.00 C ATOM 1637 O3' U B 2 -0.378 2.992 11.503 1.00 0.00 O ATOM 1638 C2' U B 2 -2.024 1.432 10.654 1.00 0.00 C ATOM 1639 O2' U B 2 -2.973 2.380 11.103 1.00 0.00 O ATOM 1640 C1' U B 2 -1.667 1.609 9.188 1.00 0.00 C ATOM 1641 N1 U B 2 -2.689 1.032 8.293 1.00 0.00 N ATOM 1642 C2 U B 2 -3.462 1.927 7.565 1.00 0.00 C ATOM 1643 O2 U B 2 -3.308 3.144 7.628 1.00 0.00 O ATOM 1644 N3 U B 2 -4.433 1.380 6.746 1.00 0.00 N ATOM 1645 C4 U B 2 -4.684 0.028 6.584 1.00 0.00 C ATOM 1646 O4 U B 2 -5.570 -0.355 5.822 1.00 0.00 O ATOM 1647 C5 U B 2 -3.834 -0.830 7.373 1.00 0.00 C ATOM 1648 C6 U B 2 -2.877 -0.324 8.189 1.00 0.00 C ATOM 0 H5' U B 2 1.251 -0.879 9.881 1.00 0.00 H new ATOM 0 H5'' U B 2 1.257 -0.392 11.565 1.00 0.00 H new ATOM 0 H4' U B 2 1.190 1.600 10.165 1.00 0.00 H new ATOM 0 H3' U B 2 -0.567 1.155 12.285 1.00 0.00 H new ATOM 0 H2' U B 2 -2.506 0.483 10.887 1.00 0.00 H new ATOM 0 HO2' U B 2 -2.510 3.127 11.536 1.00 0.00 H new ATOM 0 H1' U B 2 -1.627 2.667 8.928 1.00 0.00 H new ATOM 0 H3 U B 2 -5.015 2.029 6.215 1.00 0.00 H new ATOM 0 H5 U B 2 -3.963 -1.901 7.312 1.00 0.00 H new ATOM 0 H6 U B 2 -2.256 -0.995 8.764 1.00 0.00 H new ATOM 1659 P U B 3 0.848 3.476 12.435 1.00 0.00 P ATOM 1660 OP1 U B 3 1.409 2.289 13.120 1.00 0.00 O ATOM 1661 OP2 U B 3 0.372 4.627 13.236 1.00 0.00 O ATOM 1662 O5' U B 3 1.949 4.034 11.396 1.00 0.00 O ATOM 1663 C5' U B 3 3.109 3.296 11.083 1.00 0.00 C ATOM 1664 C4' U B 3 3.973 4.063 10.078 1.00 0.00 C ATOM 1665 O4' U B 3 3.335 4.116 8.810 1.00 0.00 O ATOM 1666 C3' U B 3 4.215 5.493 10.553 1.00 0.00 C ATOM 1667 O3' U B 3 5.533 5.867 10.206 1.00 0.00 O ATOM 1668 C2' U B 3 3.170 6.278 9.768 1.00 0.00 C ATOM 1669 O2' U B 3 3.578 7.603 9.497 1.00 0.00 O ATOM 1670 C1' U B 3 3.035 5.465 8.487 1.00 0.00 C ATOM 1671 N1 U B 3 1.673 5.584 7.921 1.00 0.00 N ATOM 1672 C2 U B 3 1.539 6.170 6.670 1.00 0.00 C ATOM 1673 O2 U B 3 2.503 6.568 6.018 1.00 0.00 O ATOM 1674 N3 U B 3 0.249 6.288 6.186 1.00 0.00 N ATOM 1675 C4 U B 3 -0.904 5.870 6.832 1.00 0.00 C ATOM 1676 O4 U B 3 -2.004 6.023 6.305 1.00 0.00 O ATOM 1677 C5 U B 3 -0.672 5.266 8.126 1.00 0.00 C ATOM 1678 C6 U B 3 0.581 5.136 8.618 1.00 0.00 C ATOM 0 H5' U B 3 2.831 2.327 10.668 1.00 0.00 H new ATOM 0 H5'' U B 3 3.681 3.102 11.991 1.00 0.00 H new ATOM 0 H4' U B 3 4.924 3.536 9.995 1.00 0.00 H new ATOM 0 H3' U B 3 4.126 5.651 11.628 1.00 0.00 H new ATOM 0 H2' U B 3 2.235 6.395 10.315 1.00 0.00 H new ATOM 0 HO2' U B 3 4.040 7.970 10.280 1.00 0.00 H new ATOM 0 H1' U B 3 3.722 5.838 7.727 1.00 0.00 H new ATOM 0 H3 U B 3 0.136 6.722 5.270 1.00 0.00 H new ATOM 0 H5 U B 3 -1.511 4.914 8.707 1.00 0.00 H new ATOM 0 H6 U B 3 0.724 4.669 9.581 1.00 0.00 H new ATOM 1689 P U B 4 6.349 6.919 11.105 1.00 0.00 P ATOM 1690 OP1 U B 4 6.692 6.264 12.388 1.00 0.00 O ATOM 1691 OP2 U B 4 5.603 8.200 11.110 1.00 0.00 O ATOM 1692 O5' U B 4 7.699 7.112 10.251 1.00 0.00 O ATOM 1693 C5' U B 4 8.606 6.042 10.101 1.00 0.00 C ATOM 1694 C4' U B 4 9.665 6.339 9.037 1.00 0.00 C ATOM 1695 O4' U B 4 9.031 6.665 7.806 1.00 0.00 O ATOM 1696 C3' U B 4 10.549 7.518 9.432 1.00 0.00 C ATOM 1697 O3' U B 4 11.840 7.367 8.874 1.00 0.00 O ATOM 1698 C2' U B 4 9.831 8.679 8.759 1.00 0.00 C ATOM 1699 O2' U B 4 10.719 9.746 8.483 1.00 0.00 O ATOM 1700 C1' U B 4 9.263 8.032 7.499 1.00 0.00 C ATOM 1701 N1 U B 4 8.034 8.744 7.083 1.00 0.00 N ATOM 1702 C2 U B 4 8.195 9.902 6.336 1.00 0.00 C ATOM 1703 O2 U B 4 9.293 10.325 5.981 1.00 0.00 O ATOM 1704 N3 U B 4 7.035 10.580 6.003 1.00 0.00 N ATOM 1705 C4 U B 4 5.747 10.181 6.294 1.00 0.00 C ATOM 1706 O4 U B 4 4.789 10.842 5.904 1.00 0.00 O ATOM 1707 C5 U B 4 5.666 8.964 7.066 1.00 0.00 C ATOM 1708 C6 U B 4 6.784 8.294 7.430 1.00 0.00 C ATOM 0 H5' U B 4 8.060 5.139 9.828 1.00 0.00 H new ATOM 0 H5'' U B 4 9.095 5.844 11.055 1.00 0.00 H new ATOM 0 H4' U B 4 10.282 5.446 8.939 1.00 0.00 H new ATOM 0 H3' U B 4 10.685 7.633 10.507 1.00 0.00 H new ATOM 0 H2' U B 4 9.058 9.139 9.374 1.00 0.00 H new ATOM 0 HO2' U B 4 10.461 10.177 7.641 1.00 0.00 H new ATOM 0 H1' U B 4 9.951 8.096 6.656 1.00 0.00 H new ATOM 0 H3 U B 4 7.143 11.458 5.494 1.00 0.00 H new ATOM 0 H5 U B 4 4.699 8.582 7.357 1.00 0.00 H new ATOM 0 H6 U B 4 6.691 7.385 8.006 1.00 0.00 H new ATOM 1719 P C B 5 12.955 6.434 9.567 1.00 0.00 P ATOM 1720 OP1 C B 5 14.033 6.218 8.575 1.00 0.00 O ATOM 1721 OP2 C B 5 12.287 5.270 10.191 1.00 0.00 O ATOM 1722 O5' C B 5 13.550 7.365 10.740 1.00 0.00 O ATOM 1723 C5' C B 5 13.042 7.292 12.055 1.00 0.00 C ATOM 1724 C4' C B 5 13.717 8.353 12.932 1.00 0.00 C ATOM 1725 O4' C B 5 13.080 9.607 12.747 1.00 0.00 O ATOM 1726 C3' C B 5 13.524 8.040 14.409 1.00 0.00 C ATOM 1727 O3' C B 5 14.427 8.810 15.179 1.00 0.00 O ATOM 1728 C2' C B 5 12.085 8.503 14.596 1.00 0.00 C ATOM 1729 O2' C B 5 11.807 8.802 15.950 1.00 0.00 O ATOM 1730 C1' C B 5 12.021 9.741 13.689 1.00 0.00 C ATOM 1731 N1 C B 5 10.704 9.930 13.023 1.00 0.00 N ATOM 1732 C2 C B 5 10.618 10.899 12.022 1.00 0.00 C ATOM 1733 O2 C B 5 11.580 11.611 11.743 1.00 0.00 O ATOM 1734 N3 C B 5 9.446 11.053 11.355 1.00 0.00 N ATOM 1735 C4 C B 5 8.385 10.310 11.669 1.00 0.00 C ATOM 1736 N4 C B 5 7.266 10.476 10.966 1.00 0.00 N ATOM 1737 C5 C B 5 8.422 9.356 12.729 1.00 0.00 C ATOM 1738 C6 C B 5 9.596 9.203 13.379 1.00 0.00 C ATOM 0 H5' C B 5 13.219 6.299 12.468 1.00 0.00 H new ATOM 0 H5'' C B 5 11.963 7.446 12.047 1.00 0.00 H new ATOM 0 H4' C B 5 14.771 8.367 12.654 1.00 0.00 H new ATOM 0 H3' C B 5 13.700 7.006 14.706 1.00 0.00 H new ATOM 0 H2' C B 5 11.340 7.750 14.338 1.00 0.00 H new ATOM 0 HO2' C B 5 10.890 9.140 16.029 1.00 0.00 H new ATOM 0 HO3' C B 5 13.981 9.116 15.996 1.00 0.00 H new ATOM 0 H1' C B 5 12.137 10.641 14.293 1.00 0.00 H new ATOM 0 H41 C B 5 6.439 9.921 11.185 1.00 0.00 H new ATOM 0 H42 C B 5 7.236 11.159 10.209 1.00 0.00 H new ATOM 0 H5 C B 5 7.549 8.781 13.000 1.00 0.00 H new ATOM 0 H6 C B 5 9.664 8.496 14.193 1.00 0.00 H new TER 1750 C B 5