USER MOD reduce.3.24.130724 H: found=0, std=0, add=782, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 782 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 70 HIS : no HD1:sc= 0.849 K(o=-2.9,f=-11!) USER MOD Set 1.2: A 90 GLN : amide:sc= -3.71! C(o=-2.9!,f=-5.9!) USER MOD Set 2.1: A 21 SER OG : rot 175:sc= 0.76 USER MOD Set 2.2: A 32 SER OG : rot -99:sc= 0.861 USER MOD Set 3.1: A 17 LYS NZ :NH3+ 178:sc= 1.28 (180deg=1.21) USER MOD Set 3.2: A 24 SER OG : rot -120:sc= -0.0855 USER MOD Set 4.1: A 10 GLN : amide:sc= 0.00637 K(o=-1.5,f=-0.42) USER MOD Set 4.2: A 62 GLN : amide:sc= -1.53 K(o=-1.5,f=-0.25) USER MOD Set 5.1: A 7 HIS : no HD1:sc= -0.137 X(o=-0.27,f=0.00043) USER MOD Set 5.2: A 9 SER OG : rot 130:sc= -0.129 USER MOD Set 6.1: A 6 GLN : amide:sc= 0 K(o=-0.02,f=-0.82) USER MOD Set 6.2: A 8 SER OG : rot 180:sc= -0.0204 USER MOD Single : A 1 GLY N :NH3+ -124:sc= 0.122 (180deg=0) USER MOD Single : A 2 SER OG : rot -1:sc= 0.223 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 HIS : no HE2:sc= 1.2 K(o=1.2,f=-5!) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 ASN : amide:sc= -3.62! K(o=-3.6!,f=-0.46) USER MOD Single : A 33 TYR OH : rot 106:sc= -1.73! USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= -9.06! C(o=-9.1!,f=-12!) USER MOD Single : A 40 GLN : amide:sc= -2.71! K(o=-2.7!,f=-0.24) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 59 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 64 ASN : amide:sc= -0.0325 X(o=-0.033,f=-0.036) USER MOD Single : A 67 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ -169:sc= 1.24 (180deg=1.12) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ -164:sc= -0.0537 (180deg=-0.398) USER MOD Single : A 86 THR OG1 : rot 83:sc= 1.29 USER MOD Single : A 91 LYS NZ :NH3+ -168:sc= 2.29 (180deg=2.1) USER MOD Single : A 94 SER OG : rot -54:sc= 0.549 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0.0791 USER MOD Single : A 98 GLN : amide:sc= 0.53 K(o=0.53,f=-0.12) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 THR OG1 : rot 100:sc= 0.0693 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -21.036 -7.768 -12.642 1.00 0.00 N ATOM 2 CA GLY A 1 -22.231 -7.346 -11.871 1.00 0.00 C ATOM 3 C GLY A 1 -22.045 -7.573 -10.388 1.00 0.00 C ATOM 4 O GLY A 1 -20.961 -7.959 -9.951 1.00 0.00 O ATOM 0 H1 GLY A 1 -20.691 -6.970 -13.213 1.00 0.00 H new ATOM 0 H2 GLY A 1 -20.289 -8.072 -11.986 1.00 0.00 H new ATOM 0 H3 GLY A 1 -21.289 -8.558 -13.269 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -22.430 -6.290 -12.056 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -23.103 -7.900 -12.218 1.00 0.00 H new ATOM 10 N SER A 2 -23.087 -7.325 -9.610 1.00 0.00 N ATOM 11 CA SER A 2 -23.032 -7.515 -8.169 1.00 0.00 C ATOM 12 C SER A 2 -24.428 -7.749 -7.598 1.00 0.00 C ATOM 13 O SER A 2 -25.325 -6.920 -7.761 1.00 0.00 O ATOM 14 CB SER A 2 -22.391 -6.298 -7.487 1.00 0.00 C ATOM 15 OG SER A 2 -21.054 -6.105 -7.924 1.00 0.00 O ATOM 0 H SER A 2 -23.986 -6.990 -9.955 1.00 0.00 H new ATOM 0 HA SER A 2 -22.420 -8.395 -7.972 1.00 0.00 H new ATOM 0 HB2 SER A 2 -22.979 -5.406 -7.704 1.00 0.00 H new ATOM 0 HB3 SER A 2 -22.406 -6.435 -6.406 1.00 0.00 H new ATOM 0 HG SER A 2 -20.815 -6.807 -8.565 1.00 0.00 H new ATOM 21 N GLU A 3 -24.608 -8.888 -6.944 1.00 0.00 N ATOM 22 CA GLU A 3 -25.845 -9.172 -6.231 1.00 0.00 C ATOM 23 C GLU A 3 -25.666 -8.821 -4.761 1.00 0.00 C ATOM 24 O GLU A 3 -26.598 -8.922 -3.961 1.00 0.00 O ATOM 25 CB GLU A 3 -26.253 -10.642 -6.375 1.00 0.00 C ATOM 26 CG GLU A 3 -26.844 -11.002 -7.732 1.00 0.00 C ATOM 27 CD GLU A 3 -25.860 -10.859 -8.872 1.00 0.00 C ATOM 28 OE1 GLU A 3 -24.901 -11.655 -8.936 1.00 0.00 O ATOM 29 OE2 GLU A 3 -26.040 -9.953 -9.712 1.00 0.00 O ATOM 0 H GLU A 3 -23.912 -9.631 -6.893 1.00 0.00 H new ATOM 0 HA GLU A 3 -26.641 -8.566 -6.665 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -25.379 -11.268 -6.196 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -26.981 -10.882 -5.600 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -27.206 -12.030 -7.701 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -27.707 -10.365 -7.925 1.00 0.00 H new ATOM 36 N LYS A 4 -24.436 -8.423 -4.430 1.00 0.00 N ATOM 37 CA LYS A 4 -24.074 -7.971 -3.088 1.00 0.00 C ATOM 38 C LYS A 4 -24.216 -9.112 -2.085 1.00 0.00 C ATOM 39 O LYS A 4 -24.635 -8.915 -0.945 1.00 0.00 O ATOM 40 CB LYS A 4 -24.931 -6.767 -2.683 1.00 0.00 C ATOM 41 CG LYS A 4 -24.183 -5.729 -1.862 1.00 0.00 C ATOM 42 CD LYS A 4 -24.977 -4.439 -1.760 1.00 0.00 C ATOM 43 CE LYS A 4 -24.156 -3.321 -1.141 1.00 0.00 C ATOM 44 NZ LYS A 4 -24.896 -2.033 -1.153 1.00 0.00 N ATOM 0 H LYS A 4 -23.659 -8.406 -5.091 1.00 0.00 H new ATOM 0 HA LYS A 4 -23.030 -7.656 -3.092 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -25.322 -6.292 -3.583 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -25.789 -7.120 -2.111 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -23.990 -6.121 -0.863 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -23.214 -5.528 -2.319 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -25.311 -4.138 -2.753 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -25.871 -4.609 -1.160 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -23.896 -3.583 -0.115 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -23.220 -3.209 -1.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -24.308 -1.291 -0.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -25.122 -1.772 -2.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -25.777 -2.134 -0.610 1.00 0.00 H new ATOM 58 N ARG A 5 -23.859 -10.306 -2.535 1.00 0.00 N ATOM 59 CA ARG A 5 -23.903 -11.499 -1.702 1.00 0.00 C ATOM 60 C ARG A 5 -22.538 -11.749 -1.073 1.00 0.00 C ATOM 61 O ARG A 5 -21.616 -10.946 -1.257 1.00 0.00 O ATOM 62 CB ARG A 5 -24.337 -12.702 -2.544 1.00 0.00 C ATOM 63 CG ARG A 5 -25.784 -12.620 -3.007 1.00 0.00 C ATOM 64 CD ARG A 5 -26.750 -13.025 -1.902 1.00 0.00 C ATOM 65 NE ARG A 5 -26.812 -14.479 -1.745 1.00 0.00 N ATOM 66 CZ ARG A 5 -26.814 -15.116 -0.572 1.00 0.00 C ATOM 67 NH1 ARG A 5 -26.635 -14.447 0.559 1.00 0.00 N ATOM 68 NH2 ARG A 5 -26.961 -16.435 -0.536 1.00 0.00 N ATOM 0 H ARG A 5 -23.531 -10.475 -3.486 1.00 0.00 H new ATOM 0 HA ARG A 5 -24.628 -11.352 -0.902 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -23.687 -12.780 -3.416 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -24.200 -13.613 -1.962 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -26.006 -11.603 -3.330 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -25.927 -13.268 -3.872 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -26.439 -12.570 -0.962 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -27.744 -12.640 -2.129 1.00 0.00 H new ATOM 0 HE ARG A 5 -26.857 -15.046 -2.592 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -26.494 -13.437 0.537 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -26.638 -14.942 1.451 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -27.072 -16.960 -1.404 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -26.963 -16.924 0.359 1.00 0.00 H new ATOM 82 N GLN A 6 -22.424 -12.853 -0.332 1.00 0.00 N ATOM 83 CA GLN A 6 -21.187 -13.236 0.352 1.00 0.00 C ATOM 84 C GLN A 6 -20.953 -12.349 1.570 1.00 0.00 C ATOM 85 O GLN A 6 -20.958 -11.118 1.474 1.00 0.00 O ATOM 86 CB GLN A 6 -19.979 -13.197 -0.598 1.00 0.00 C ATOM 87 CG GLN A 6 -18.665 -13.590 0.059 1.00 0.00 C ATOM 88 CD GLN A 6 -17.512 -13.626 -0.925 1.00 0.00 C ATOM 89 OE1 GLN A 6 -17.700 -13.902 -2.111 1.00 0.00 O ATOM 90 NE2 GLN A 6 -16.312 -13.355 -0.441 1.00 0.00 N ATOM 0 H GLN A 6 -23.191 -13.510 -0.189 1.00 0.00 H new ATOM 0 HA GLN A 6 -21.299 -14.266 0.691 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -20.168 -13.866 -1.438 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -19.883 -12.191 -1.007 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -18.436 -12.883 0.857 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -18.773 -14.570 0.523 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -16.200 -13.131 0.548 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -15.499 -13.370 -1.056 1.00 0.00 H new ATOM 99 N HIS A 7 -20.770 -12.983 2.718 1.00 0.00 N ATOM 100 CA HIS A 7 -20.546 -12.271 3.971 1.00 0.00 C ATOM 101 C HIS A 7 -19.097 -11.796 4.039 1.00 0.00 C ATOM 102 O HIS A 7 -18.280 -12.347 4.773 1.00 0.00 O ATOM 103 CB HIS A 7 -20.881 -13.186 5.159 1.00 0.00 C ATOM 104 CG HIS A 7 -20.958 -12.484 6.482 1.00 0.00 C ATOM 105 ND1 HIS A 7 -20.244 -12.885 7.588 1.00 0.00 N ATOM 106 CD2 HIS A 7 -21.700 -11.427 6.883 1.00 0.00 C ATOM 107 CE1 HIS A 7 -20.546 -12.110 8.611 1.00 0.00 C ATOM 108 NE2 HIS A 7 -21.427 -11.214 8.211 1.00 0.00 N ATOM 0 H HIS A 7 -20.772 -13.999 2.810 1.00 0.00 H new ATOM 0 HA HIS A 7 -21.198 -11.399 4.018 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -21.835 -13.676 4.966 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -20.127 -13.970 5.221 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -22.382 -10.856 6.271 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -20.140 -12.195 9.608 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -21.838 -10.483 8.792 1.00 0.00 H new ATOM 117 N SER A 8 -18.792 -10.762 3.270 1.00 0.00 N ATOM 118 CA SER A 8 -17.425 -10.295 3.111 1.00 0.00 C ATOM 119 C SER A 8 -17.027 -9.316 4.214 1.00 0.00 C ATOM 120 O SER A 8 -16.542 -8.226 3.936 1.00 0.00 O ATOM 121 CB SER A 8 -17.269 -9.626 1.744 1.00 0.00 C ATOM 122 OG SER A 8 -17.729 -10.473 0.704 1.00 0.00 O ATOM 0 H SER A 8 -19.481 -10.226 2.742 1.00 0.00 H new ATOM 0 HA SER A 8 -16.765 -11.159 3.182 1.00 0.00 H new ATOM 0 HB2 SER A 8 -17.827 -8.690 1.728 1.00 0.00 H new ATOM 0 HB3 SER A 8 -16.222 -9.375 1.576 1.00 0.00 H new ATOM 0 HG SER A 8 -17.620 -10.021 -0.159 1.00 0.00 H new ATOM 128 N SER A 9 -17.212 -9.708 5.462 1.00 0.00 N ATOM 129 CA SER A 9 -16.811 -8.868 6.579 1.00 0.00 C ATOM 130 C SER A 9 -15.538 -9.418 7.217 1.00 0.00 C ATOM 131 O SER A 9 -15.235 -9.160 8.380 1.00 0.00 O ATOM 132 CB SER A 9 -17.947 -8.783 7.599 1.00 0.00 C ATOM 133 OG SER A 9 -18.518 -10.060 7.822 1.00 0.00 O ATOM 0 H SER A 9 -17.635 -10.597 5.728 1.00 0.00 H new ATOM 0 HA SER A 9 -16.600 -7.861 6.218 1.00 0.00 H new ATOM 0 HB2 SER A 9 -17.569 -8.379 8.538 1.00 0.00 H new ATOM 0 HB3 SER A 9 -18.713 -8.095 7.241 1.00 0.00 H new ATOM 0 HG SER A 9 -18.568 -10.232 8.785 1.00 0.00 H new ATOM 139 N GLN A 10 -14.809 -10.199 6.428 1.00 0.00 N ATOM 140 CA GLN A 10 -13.553 -10.805 6.857 1.00 0.00 C ATOM 141 C GLN A 10 -12.509 -9.735 7.172 1.00 0.00 C ATOM 142 O GLN A 10 -11.705 -9.899 8.088 1.00 0.00 O ATOM 143 CB GLN A 10 -13.043 -11.731 5.752 1.00 0.00 C ATOM 144 CG GLN A 10 -14.002 -12.868 5.432 1.00 0.00 C ATOM 145 CD GLN A 10 -13.760 -13.476 4.065 1.00 0.00 C ATOM 146 OE1 GLN A 10 -14.356 -13.057 3.072 1.00 0.00 O ATOM 147 NE2 GLN A 10 -12.872 -14.451 4.002 1.00 0.00 N ATOM 0 H GLN A 10 -15.073 -10.431 5.470 1.00 0.00 H new ATOM 0 HA GLN A 10 -13.728 -11.378 7.767 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -12.869 -11.146 4.849 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -12.082 -12.149 6.052 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -13.904 -13.644 6.192 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -15.026 -12.498 5.484 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -12.401 -14.768 4.850 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -12.657 -14.888 3.106 1.00 0.00 H new ATOM 156 N ASP A 11 -12.552 -8.648 6.401 1.00 0.00 N ATOM 157 CA ASP A 11 -11.641 -7.502 6.544 1.00 0.00 C ATOM 158 C ASP A 11 -10.190 -7.857 6.190 1.00 0.00 C ATOM 159 O ASP A 11 -9.617 -8.821 6.704 1.00 0.00 O ATOM 160 CB ASP A 11 -11.736 -6.908 7.947 1.00 0.00 C ATOM 161 CG ASP A 11 -10.707 -5.825 8.194 1.00 0.00 C ATOM 162 OD1 ASP A 11 -10.928 -4.681 7.750 1.00 0.00 O ATOM 163 OD2 ASP A 11 -9.682 -6.115 8.847 1.00 0.00 O ATOM 0 H ASP A 11 -13.229 -8.533 5.647 1.00 0.00 H new ATOM 0 HA ASP A 11 -11.961 -6.747 5.826 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -12.734 -6.496 8.096 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -11.606 -7.702 8.683 1.00 0.00 H new ATOM 168 N VAL A 12 -9.614 -7.068 5.289 1.00 0.00 N ATOM 169 CA VAL A 12 -8.256 -7.282 4.803 1.00 0.00 C ATOM 170 C VAL A 12 -7.401 -6.048 5.064 1.00 0.00 C ATOM 171 O VAL A 12 -7.920 -4.982 5.395 1.00 0.00 O ATOM 172 CB VAL A 12 -8.233 -7.598 3.288 1.00 0.00 C ATOM 173 CG1 VAL A 12 -9.203 -8.720 2.960 1.00 0.00 C ATOM 174 CG2 VAL A 12 -8.541 -6.354 2.460 1.00 0.00 C ATOM 0 H VAL A 12 -10.078 -6.260 4.874 1.00 0.00 H new ATOM 0 HA VAL A 12 -7.852 -8.138 5.343 1.00 0.00 H new ATOM 0 HB VAL A 12 -7.227 -7.928 3.029 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -9.172 -8.927 1.890 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -8.922 -9.617 3.511 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -10.213 -8.422 3.243 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -8.518 -6.607 1.400 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -9.530 -5.979 2.722 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -7.795 -5.586 2.666 1.00 0.00 H new ATOM 184 N HIS A 13 -6.096 -6.195 4.921 1.00 0.00 N ATOM 185 CA HIS A 13 -5.178 -5.083 5.111 1.00 0.00 C ATOM 186 C HIS A 13 -4.518 -4.706 3.795 1.00 0.00 C ATOM 187 O HIS A 13 -3.863 -5.529 3.155 1.00 0.00 O ATOM 188 CB HIS A 13 -4.106 -5.419 6.152 1.00 0.00 C ATOM 189 CG HIS A 13 -4.496 -5.089 7.560 1.00 0.00 C ATOM 190 ND1 HIS A 13 -3.666 -4.413 8.432 1.00 0.00 N ATOM 191 CD2 HIS A 13 -5.629 -5.351 8.253 1.00 0.00 C ATOM 192 CE1 HIS A 13 -4.274 -4.274 9.594 1.00 0.00 C ATOM 193 NE2 HIS A 13 -5.465 -4.834 9.512 1.00 0.00 N ATOM 0 H HIS A 13 -5.646 -7.076 4.673 1.00 0.00 H new ATOM 0 HA HIS A 13 -5.758 -4.235 5.476 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -3.875 -6.483 6.090 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -3.192 -4.880 5.904 1.00 0.00 H new ATOM 0 HD1 HIS A 13 -2.729 -4.074 8.212 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -6.500 -5.871 7.883 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -3.865 -3.784 10.466 1.00 0.00 H new ATOM 202 N VAL A 14 -4.677 -3.453 3.410 1.00 0.00 N ATOM 203 CA VAL A 14 -4.076 -2.945 2.192 1.00 0.00 C ATOM 204 C VAL A 14 -2.841 -2.138 2.544 1.00 0.00 C ATOM 205 O VAL A 14 -2.933 -1.024 3.066 1.00 0.00 O ATOM 206 CB VAL A 14 -5.057 -2.061 1.395 1.00 0.00 C ATOM 207 CG1 VAL A 14 -4.387 -1.514 0.142 1.00 0.00 C ATOM 208 CG2 VAL A 14 -6.312 -2.843 1.038 1.00 0.00 C ATOM 0 H VAL A 14 -5.222 -2.764 3.928 1.00 0.00 H new ATOM 0 HA VAL A 14 -3.810 -3.796 1.566 1.00 0.00 H new ATOM 0 HB VAL A 14 -5.348 -1.218 2.022 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -5.095 -0.893 -0.407 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -3.521 -0.915 0.424 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -4.065 -2.342 -0.489 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -6.992 -2.203 0.476 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -6.042 -3.707 0.431 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -6.803 -3.180 1.951 1.00 0.00 H new ATOM 218 N VAL A 15 -1.689 -2.719 2.268 1.00 0.00 N ATOM 219 CA VAL A 15 -0.427 -2.146 2.689 1.00 0.00 C ATOM 220 C VAL A 15 -0.083 -0.898 1.906 1.00 0.00 C ATOM 221 O VAL A 15 -0.024 -0.893 0.669 1.00 0.00 O ATOM 222 CB VAL A 15 0.718 -3.187 2.608 1.00 0.00 C ATOM 223 CG1 VAL A 15 1.105 -3.515 1.180 1.00 0.00 C ATOM 224 CG2 VAL A 15 1.928 -2.722 3.402 1.00 0.00 C ATOM 0 H VAL A 15 -1.602 -3.594 1.750 1.00 0.00 H new ATOM 0 HA VAL A 15 -0.542 -1.852 3.732 1.00 0.00 H new ATOM 0 HB VAL A 15 0.340 -4.108 3.053 1.00 0.00 H new ATOM 0 HG11 VAL A 15 1.911 -4.249 1.181 1.00 0.00 H new ATOM 0 HG12 VAL A 15 0.242 -3.924 0.654 1.00 0.00 H new ATOM 0 HG13 VAL A 15 1.440 -2.608 0.676 1.00 0.00 H new ATOM 0 HG21 VAL A 15 2.719 -3.469 3.331 1.00 0.00 H new ATOM 0 HG22 VAL A 15 2.286 -1.775 2.999 1.00 0.00 H new ATOM 0 HG23 VAL A 15 1.648 -2.589 4.447 1.00 0.00 H new ATOM 234 N LEU A 16 0.097 0.175 2.643 1.00 0.00 N ATOM 235 CA LEU A 16 0.523 1.418 2.072 1.00 0.00 C ATOM 236 C LEU A 16 1.977 1.650 2.411 1.00 0.00 C ATOM 237 O LEU A 16 2.380 1.573 3.569 1.00 0.00 O ATOM 238 CB LEU A 16 -0.332 2.574 2.576 1.00 0.00 C ATOM 239 CG LEU A 16 -0.074 3.882 1.853 1.00 0.00 C ATOM 240 CD1 LEU A 16 -1.378 4.576 1.523 1.00 0.00 C ATOM 241 CD2 LEU A 16 0.820 4.793 2.681 1.00 0.00 C ATOM 0 H LEU A 16 -0.049 0.203 3.652 1.00 0.00 H new ATOM 0 HA LEU A 16 0.405 1.367 0.990 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -1.384 2.310 2.468 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -0.146 2.715 3.641 1.00 0.00 H new ATOM 0 HG LEU A 16 0.442 3.656 0.920 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -1.171 5.512 1.005 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -1.981 3.932 0.882 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -1.923 4.784 2.444 1.00 0.00 H new ATOM 0 HD21 LEU A 16 0.990 5.724 2.141 1.00 0.00 H new ATOM 0 HD22 LEU A 16 0.337 5.009 3.634 1.00 0.00 H new ATOM 0 HD23 LEU A 16 1.775 4.299 2.862 1.00 0.00 H new ATOM 253 N LYS A 17 2.759 1.920 1.394 1.00 0.00 N ATOM 254 CA LYS A 17 4.174 2.112 1.568 1.00 0.00 C ATOM 255 C LYS A 17 4.502 3.590 1.481 1.00 0.00 C ATOM 256 O LYS A 17 4.022 4.296 0.596 1.00 0.00 O ATOM 257 CB LYS A 17 4.959 1.310 0.523 1.00 0.00 C ATOM 258 CG LYS A 17 4.481 -0.126 0.384 1.00 0.00 C ATOM 259 CD LYS A 17 3.660 -0.320 -0.883 1.00 0.00 C ATOM 260 CE LYS A 17 2.932 -1.658 -0.875 1.00 0.00 C ATOM 261 NZ LYS A 17 1.799 -1.707 -1.841 1.00 0.00 N ATOM 0 H LYS A 17 2.434 2.012 0.431 1.00 0.00 H new ATOM 0 HA LYS A 17 4.467 1.748 2.553 1.00 0.00 H new ATOM 0 HB2 LYS A 17 4.878 1.808 -0.443 1.00 0.00 H new ATOM 0 HB3 LYS A 17 6.015 1.310 0.793 1.00 0.00 H new ATOM 0 HG2 LYS A 17 5.340 -0.797 0.368 1.00 0.00 H new ATOM 0 HG3 LYS A 17 3.881 -0.397 1.253 1.00 0.00 H new ATOM 0 HD2 LYS A 17 2.936 0.489 -0.976 1.00 0.00 H new ATOM 0 HD3 LYS A 17 4.313 -0.265 -1.754 1.00 0.00 H new ATOM 0 HE2 LYS A 17 3.640 -2.452 -1.112 1.00 0.00 H new ATOM 0 HE3 LYS A 17 2.556 -1.855 0.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 1.362 -2.651 -1.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 1.091 -0.991 -1.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 2.152 -1.514 -2.800 1.00 0.00 H new ATOM 275 N LEU A 18 5.326 4.027 2.407 1.00 0.00 N ATOM 276 CA LEU A 18 5.723 5.413 2.534 1.00 0.00 C ATOM 277 C LEU A 18 7.111 5.568 1.930 1.00 0.00 C ATOM 278 O LEU A 18 8.100 5.103 2.496 1.00 0.00 O ATOM 279 CB LEU A 18 5.715 5.773 4.034 1.00 0.00 C ATOM 280 CG LEU A 18 6.603 6.937 4.498 1.00 0.00 C ATOM 281 CD1 LEU A 18 6.132 8.272 3.950 1.00 0.00 C ATOM 282 CD2 LEU A 18 6.632 6.977 6.017 1.00 0.00 C ATOM 0 H LEU A 18 5.748 3.417 3.107 1.00 0.00 H new ATOM 0 HA LEU A 18 5.042 6.083 2.009 1.00 0.00 H new ATOM 0 HB2 LEU A 18 4.688 6.002 4.317 1.00 0.00 H new ATOM 0 HB3 LEU A 18 6.009 4.885 4.593 1.00 0.00 H new ATOM 0 HG LEU A 18 7.607 6.766 4.110 1.00 0.00 H new ATOM 0 HD11 LEU A 18 6.791 9.064 4.305 1.00 0.00 H new ATOM 0 HD12 LEU A 18 6.151 8.245 2.860 1.00 0.00 H new ATOM 0 HD13 LEU A 18 5.115 8.466 4.290 1.00 0.00 H new ATOM 0 HD21 LEU A 18 7.262 7.803 6.347 1.00 0.00 H new ATOM 0 HD22 LEU A 18 5.620 7.118 6.397 1.00 0.00 H new ATOM 0 HD23 LEU A 18 7.035 6.039 6.398 1.00 0.00 H new ATOM 294 N TRP A 19 7.165 6.169 0.754 1.00 0.00 N ATOM 295 CA TRP A 19 8.409 6.309 0.018 1.00 0.00 C ATOM 296 C TRP A 19 8.952 7.724 0.189 1.00 0.00 C ATOM 297 O TRP A 19 8.467 8.479 1.031 1.00 0.00 O ATOM 298 CB TRP A 19 8.183 6.028 -1.469 1.00 0.00 C ATOM 299 CG TRP A 19 7.315 4.843 -1.766 1.00 0.00 C ATOM 300 CD1 TRP A 19 5.996 4.875 -2.088 1.00 0.00 C ATOM 301 CD2 TRP A 19 7.696 3.465 -1.795 1.00 0.00 C ATOM 302 NE1 TRP A 19 5.548 3.618 -2.374 1.00 0.00 N ATOM 303 CE2 TRP A 19 6.566 2.732 -2.187 1.00 0.00 C ATOM 304 CE3 TRP A 19 8.876 2.781 -1.538 1.00 0.00 C ATOM 305 CZ2 TRP A 19 6.592 1.352 -2.341 1.00 0.00 C ATOM 306 CZ3 TRP A 19 8.893 1.403 -1.680 1.00 0.00 C ATOM 307 CH2 TRP A 19 7.753 0.706 -2.082 1.00 0.00 C ATOM 0 H TRP A 19 6.353 6.571 0.285 1.00 0.00 H new ATOM 0 HA TRP A 19 9.129 5.590 0.410 1.00 0.00 H new ATOM 0 HB2 TRP A 19 7.735 6.911 -1.926 1.00 0.00 H new ATOM 0 HB3 TRP A 19 9.152 5.878 -1.946 1.00 0.00 H new ATOM 0 HD1 TRP A 19 5.388 5.768 -2.114 1.00 0.00 H new ATOM 0 HE1 TRP A 19 4.604 3.380 -2.678 1.00 0.00 H new ATOM 0 HE3 TRP A 19 9.765 3.313 -1.233 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 5.713 0.811 -2.658 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 9.804 0.859 -1.476 1.00 0.00 H new ATOM 0 HH2 TRP A 19 7.798 -0.368 -2.188 1.00 0.00 H new ATOM 318 N LYS A 20 9.947 8.090 -0.606 1.00 0.00 N ATOM 319 CA LYS A 20 10.493 9.440 -0.549 1.00 0.00 C ATOM 320 C LYS A 20 9.638 10.408 -1.366 1.00 0.00 C ATOM 321 O LYS A 20 9.470 11.569 -0.992 1.00 0.00 O ATOM 322 CB LYS A 20 11.955 9.459 -1.027 1.00 0.00 C ATOM 323 CG LYS A 20 12.196 8.789 -2.376 1.00 0.00 C ATOM 324 CD LYS A 20 12.029 9.750 -3.552 1.00 0.00 C ATOM 325 CE LYS A 20 13.163 10.763 -3.613 1.00 0.00 C ATOM 326 NZ LYS A 20 13.156 11.533 -4.885 1.00 0.00 N ATOM 0 H LYS A 20 10.390 7.479 -1.292 1.00 0.00 H new ATOM 0 HA LYS A 20 10.474 9.770 0.490 1.00 0.00 H new ATOM 0 HB2 LYS A 20 12.289 10.495 -1.087 1.00 0.00 H new ATOM 0 HB3 LYS A 20 12.574 8.967 -0.277 1.00 0.00 H new ATOM 0 HG2 LYS A 20 13.202 8.371 -2.394 1.00 0.00 H new ATOM 0 HG3 LYS A 20 11.503 7.956 -2.492 1.00 0.00 H new ATOM 0 HD2 LYS A 20 11.995 9.184 -4.483 1.00 0.00 H new ATOM 0 HD3 LYS A 20 11.077 10.273 -3.463 1.00 0.00 H new ATOM 0 HE2 LYS A 20 13.079 11.452 -2.772 1.00 0.00 H new ATOM 0 HE3 LYS A 20 14.117 10.246 -3.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 13.944 12.211 -4.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 13.262 10.879 -5.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 12.257 12.048 -4.974 1.00 0.00 H new ATOM 340 N SER A 21 9.095 9.925 -2.475 1.00 0.00 N ATOM 341 CA SER A 21 8.301 10.763 -3.359 1.00 0.00 C ATOM 342 C SER A 21 6.825 10.703 -2.986 1.00 0.00 C ATOM 343 O SER A 21 6.143 11.729 -2.940 1.00 0.00 O ATOM 344 CB SER A 21 8.500 10.330 -4.818 1.00 0.00 C ATOM 345 OG SER A 21 7.684 11.084 -5.706 1.00 0.00 O ATOM 0 H SER A 21 9.191 8.957 -2.783 1.00 0.00 H new ATOM 0 HA SER A 21 8.637 11.794 -3.247 1.00 0.00 H new ATOM 0 HB2 SER A 21 9.547 10.452 -5.094 1.00 0.00 H new ATOM 0 HB3 SER A 21 8.265 9.270 -4.919 1.00 0.00 H new ATOM 0 HG SER A 21 7.895 10.839 -6.631 1.00 0.00 H new ATOM 351 N GLY A 22 6.334 9.506 -2.706 1.00 0.00 N ATOM 352 CA GLY A 22 4.926 9.347 -2.436 1.00 0.00 C ATOM 353 C GLY A 22 4.614 8.079 -1.696 1.00 0.00 C ATOM 354 O GLY A 22 5.440 7.571 -0.945 1.00 0.00 O ATOM 0 H GLY A 22 6.884 8.648 -2.662 1.00 0.00 H new ATOM 0 HA2 GLY A 22 4.574 10.198 -1.853 1.00 0.00 H new ATOM 0 HA3 GLY A 22 4.377 9.357 -3.378 1.00 0.00 H new ATOM 358 N PHE A 23 3.418 7.570 -1.915 1.00 0.00 N ATOM 359 CA PHE A 23 2.961 6.368 -1.249 1.00 0.00 C ATOM 360 C PHE A 23 2.393 5.383 -2.260 1.00 0.00 C ATOM 361 O PHE A 23 1.846 5.779 -3.286 1.00 0.00 O ATOM 362 CB PHE A 23 1.904 6.714 -0.195 1.00 0.00 C ATOM 363 CG PHE A 23 0.710 7.459 -0.747 1.00 0.00 C ATOM 364 CD1 PHE A 23 -0.381 6.773 -1.259 1.00 0.00 C ATOM 365 CD2 PHE A 23 0.680 8.843 -0.762 1.00 0.00 C ATOM 366 CE1 PHE A 23 -1.467 7.455 -1.772 1.00 0.00 C ATOM 367 CE2 PHE A 23 -0.403 9.526 -1.274 1.00 0.00 C ATOM 368 CZ PHE A 23 -1.478 8.832 -1.777 1.00 0.00 C ATOM 0 H PHE A 23 2.738 7.977 -2.557 1.00 0.00 H new ATOM 0 HA PHE A 23 3.812 5.903 -0.752 1.00 0.00 H new ATOM 0 HB2 PHE A 23 1.560 5.793 0.276 1.00 0.00 H new ATOM 0 HB3 PHE A 23 2.367 7.317 0.586 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -0.382 5.693 -1.257 1.00 0.00 H new ATOM 0 HD2 PHE A 23 1.518 9.397 -0.366 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -2.309 6.908 -2.170 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -0.407 10.606 -1.280 1.00 0.00 H new ATOM 0 HZ PHE A 23 -2.329 9.365 -2.175 1.00 0.00 H new ATOM 378 N SER A 24 2.550 4.106 -1.976 1.00 0.00 N ATOM 379 CA SER A 24 1.947 3.063 -2.785 1.00 0.00 C ATOM 380 C SER A 24 1.034 2.231 -1.916 1.00 0.00 C ATOM 381 O SER A 24 1.422 1.771 -0.853 1.00 0.00 O ATOM 382 CB SER A 24 3.017 2.178 -3.434 1.00 0.00 C ATOM 383 OG SER A 24 2.450 1.040 -4.066 1.00 0.00 O ATOM 0 H SER A 24 3.094 3.762 -1.185 1.00 0.00 H new ATOM 0 HA SER A 24 1.372 3.526 -3.587 1.00 0.00 H new ATOM 0 HB2 SER A 24 3.574 2.761 -4.167 1.00 0.00 H new ATOM 0 HB3 SER A 24 3.730 1.855 -2.675 1.00 0.00 H new ATOM 0 HG SER A 24 2.813 0.225 -3.660 1.00 0.00 H new ATOM 389 N LEU A 25 -0.170 2.038 -2.380 1.00 0.00 N ATOM 390 CA LEU A 25 -1.166 1.317 -1.635 1.00 0.00 C ATOM 391 C LEU A 25 -1.467 0.038 -2.384 1.00 0.00 C ATOM 392 O LEU A 25 -1.480 0.043 -3.612 1.00 0.00 O ATOM 393 CB LEU A 25 -2.417 2.181 -1.405 1.00 0.00 C ATOM 394 CG LEU A 25 -2.876 3.079 -2.568 1.00 0.00 C ATOM 395 CD1 LEU A 25 -4.293 3.543 -2.309 1.00 0.00 C ATOM 396 CD2 LEU A 25 -1.980 4.300 -2.731 1.00 0.00 C ATOM 0 H LEU A 25 -0.489 2.377 -3.288 1.00 0.00 H new ATOM 0 HA LEU A 25 -0.798 1.066 -0.640 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -3.242 1.518 -1.144 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -2.234 2.817 -0.539 1.00 0.00 H new ATOM 0 HG LEU A 25 -2.820 2.492 -3.485 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -4.623 4.180 -3.130 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -4.951 2.677 -2.234 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -4.327 4.107 -1.377 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -2.339 4.906 -3.562 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -2.000 4.891 -1.815 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -0.958 3.977 -2.932 1.00 0.00 H new ATOM 408 N ASP A 26 -1.645 -1.060 -1.656 1.00 0.00 N ATOM 409 CA ASP A 26 -1.713 -2.380 -2.279 1.00 0.00 C ATOM 410 C ASP A 26 -2.949 -2.530 -3.162 1.00 0.00 C ATOM 411 O ASP A 26 -3.998 -3.004 -2.726 1.00 0.00 O ATOM 412 CB ASP A 26 -1.642 -3.495 -1.247 1.00 0.00 C ATOM 413 CG ASP A 26 -0.619 -4.530 -1.667 1.00 0.00 C ATOM 414 OD1 ASP A 26 0.574 -4.156 -1.802 1.00 0.00 O ATOM 415 OD2 ASP A 26 -0.995 -5.703 -1.871 1.00 0.00 O ATOM 0 H ASP A 26 -1.744 -1.064 -0.641 1.00 0.00 H new ATOM 0 HA ASP A 26 -0.837 -2.468 -2.922 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -1.375 -3.083 -0.274 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -2.620 -3.963 -1.138 1.00 0.00 H new ATOM 420 N ASN A 27 -2.786 -2.099 -4.402 1.00 0.00 N ATOM 421 CA ASN A 27 -3.839 -2.061 -5.413 1.00 0.00 C ATOM 422 C ASN A 27 -3.274 -1.363 -6.646 1.00 0.00 C ATOM 423 O ASN A 27 -3.685 -1.628 -7.777 1.00 0.00 O ATOM 424 CB ASN A 27 -5.092 -1.299 -4.932 1.00 0.00 C ATOM 425 CG ASN A 27 -4.791 0.141 -4.566 1.00 0.00 C ATOM 426 OD1 ASN A 27 -4.782 1.026 -5.416 1.00 0.00 O ATOM 427 ND2 ASN A 27 -4.548 0.385 -3.292 1.00 0.00 N ATOM 0 H ASN A 27 -1.890 -1.754 -4.747 1.00 0.00 H new ATOM 0 HA ASN A 27 -4.148 -3.084 -5.629 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -5.849 -1.321 -5.716 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -5.514 -1.810 -4.067 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -4.344 1.336 -2.985 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -4.565 -0.377 -2.615 1.00 0.00 H new ATOM 434 N GLY A 28 -2.317 -0.469 -6.396 1.00 0.00 N ATOM 435 CA GLY A 28 -1.649 0.254 -7.459 1.00 0.00 C ATOM 436 C GLY A 28 -0.213 0.582 -7.099 1.00 0.00 C ATOM 437 O GLY A 28 0.375 -0.049 -6.216 1.00 0.00 O ATOM 0 H GLY A 28 -1.991 -0.233 -5.459 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -1.668 -0.341 -8.372 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -2.191 1.176 -7.668 1.00 0.00 H new ATOM 441 N GLU A 29 0.339 1.591 -7.753 1.00 0.00 N ATOM 442 CA GLU A 29 1.749 1.923 -7.604 1.00 0.00 C ATOM 443 C GLU A 29 1.970 3.133 -6.694 1.00 0.00 C ATOM 444 O GLU A 29 1.104 3.496 -5.895 1.00 0.00 O ATOM 445 CB GLU A 29 2.369 2.187 -8.975 1.00 0.00 C ATOM 446 CG GLU A 29 2.411 0.964 -9.870 1.00 0.00 C ATOM 447 CD GLU A 29 3.037 1.268 -11.212 1.00 0.00 C ATOM 448 OE1 GLU A 29 4.279 1.221 -11.319 1.00 0.00 O ATOM 449 OE2 GLU A 29 2.293 1.572 -12.165 1.00 0.00 O ATOM 0 H GLU A 29 -0.170 2.198 -8.396 1.00 0.00 H new ATOM 0 HA GLU A 29 2.235 1.068 -7.133 1.00 0.00 H new ATOM 0 HB2 GLU A 29 1.803 2.973 -9.475 1.00 0.00 H new ATOM 0 HB3 GLU A 29 3.383 2.562 -8.839 1.00 0.00 H new ATOM 0 HG2 GLU A 29 2.976 0.173 -9.377 1.00 0.00 H new ATOM 0 HG3 GLU A 29 1.399 0.588 -10.019 1.00 0.00 H new ATOM 456 N LEU A 30 3.156 3.726 -6.809 1.00 0.00 N ATOM 457 CA LEU A 30 3.555 4.870 -6.001 1.00 0.00 C ATOM 458 C LEU A 30 2.957 6.156 -6.573 1.00 0.00 C ATOM 459 O LEU A 30 3.076 6.431 -7.769 1.00 0.00 O ATOM 460 CB LEU A 30 5.100 4.940 -5.971 1.00 0.00 C ATOM 461 CG LEU A 30 5.759 5.928 -4.986 1.00 0.00 C ATOM 462 CD1 LEU A 30 7.266 5.774 -5.000 1.00 0.00 C ATOM 463 CD2 LEU A 30 5.432 7.365 -5.292 1.00 0.00 C ATOM 0 H LEU A 30 3.870 3.422 -7.471 1.00 0.00 H new ATOM 0 HA LEU A 30 3.181 4.757 -4.983 1.00 0.00 H new ATOM 0 HB2 LEU A 30 5.476 3.942 -5.745 1.00 0.00 H new ATOM 0 HB3 LEU A 30 5.443 5.190 -6.975 1.00 0.00 H new ATOM 0 HG LEU A 30 5.355 5.683 -4.004 1.00 0.00 H new ATOM 0 HD11 LEU A 30 7.710 6.480 -4.298 1.00 0.00 H new ATOM 0 HD12 LEU A 30 7.531 4.758 -4.709 1.00 0.00 H new ATOM 0 HD13 LEU A 30 7.643 5.973 -6.003 1.00 0.00 H new ATOM 0 HD21 LEU A 30 5.923 8.013 -4.566 1.00 0.00 H new ATOM 0 HD22 LEU A 30 5.782 7.612 -6.294 1.00 0.00 H new ATOM 0 HD23 LEU A 30 4.353 7.512 -5.238 1.00 0.00 H new ATOM 475 N ARG A 31 2.314 6.926 -5.710 1.00 0.00 N ATOM 476 CA ARG A 31 1.792 8.235 -6.069 1.00 0.00 C ATOM 477 C ARG A 31 2.325 9.291 -5.095 1.00 0.00 C ATOM 478 O ARG A 31 2.231 9.123 -3.879 1.00 0.00 O ATOM 479 CB ARG A 31 0.264 8.194 -6.076 1.00 0.00 C ATOM 480 CG ARG A 31 -0.311 7.600 -7.353 1.00 0.00 C ATOM 481 CD ARG A 31 -1.828 7.500 -7.307 1.00 0.00 C ATOM 482 NE ARG A 31 -2.288 6.226 -6.742 1.00 0.00 N ATOM 483 CZ ARG A 31 -3.554 5.792 -6.803 1.00 0.00 C ATOM 484 NH1 ARG A 31 -4.506 6.560 -7.323 1.00 0.00 N ATOM 485 NH2 ARG A 31 -3.874 4.589 -6.341 1.00 0.00 N ATOM 0 H ARG A 31 2.139 6.661 -4.741 1.00 0.00 H new ATOM 0 HA ARG A 31 2.126 8.506 -7.070 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -0.082 7.610 -5.223 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -0.121 9.205 -5.947 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -0.015 8.214 -8.203 1.00 0.00 H new ATOM 0 HG3 ARG A 31 0.112 6.608 -7.513 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -2.226 8.323 -6.713 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -2.228 7.613 -8.315 1.00 0.00 H new ATOM 0 HE ARG A 31 -1.601 5.634 -6.274 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -4.275 7.487 -7.679 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -5.467 6.222 -7.366 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -3.154 3.990 -5.937 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -4.840 4.264 -6.390 1.00 0.00 H new ATOM 499 N SER A 32 2.887 10.369 -5.642 1.00 0.00 N ATOM 500 CA SER A 32 3.664 11.335 -4.858 1.00 0.00 C ATOM 501 C SER A 32 2.790 12.228 -3.968 1.00 0.00 C ATOM 502 O SER A 32 1.617 12.471 -4.263 1.00 0.00 O ATOM 503 CB SER A 32 4.512 12.183 -5.800 1.00 0.00 C ATOM 504 OG SER A 32 5.083 11.373 -6.811 1.00 0.00 O ATOM 0 H SER A 32 2.819 10.598 -6.634 1.00 0.00 H new ATOM 0 HA SER A 32 4.305 10.769 -4.183 1.00 0.00 H new ATOM 0 HB2 SER A 32 3.897 12.961 -6.252 1.00 0.00 H new ATOM 0 HB3 SER A 32 5.300 12.685 -5.238 1.00 0.00 H new ATOM 0 HG SER A 32 6.010 11.159 -6.574 1.00 0.00 H new ATOM 510 N TYR A 33 3.400 12.739 -2.894 1.00 0.00 N ATOM 511 CA TYR A 33 2.695 13.499 -1.854 1.00 0.00 C ATOM 512 C TYR A 33 2.389 14.934 -2.285 1.00 0.00 C ATOM 513 O TYR A 33 2.518 15.865 -1.491 1.00 0.00 O ATOM 514 CB TYR A 33 3.536 13.537 -0.569 1.00 0.00 C ATOM 515 CG TYR A 33 3.777 12.178 0.044 1.00 0.00 C ATOM 516 CD1 TYR A 33 2.710 11.371 0.396 1.00 0.00 C ATOM 517 CD2 TYR A 33 5.067 11.702 0.271 1.00 0.00 C ATOM 518 CE1 TYR A 33 2.910 10.126 0.947 1.00 0.00 C ATOM 519 CE2 TYR A 33 5.275 10.452 0.829 1.00 0.00 C ATOM 520 CZ TYR A 33 4.186 9.672 1.163 1.00 0.00 C ATOM 521 OH TYR A 33 4.369 8.421 1.694 1.00 0.00 O ATOM 0 H TYR A 33 4.400 12.637 -2.720 1.00 0.00 H new ATOM 0 HA TYR A 33 1.748 12.989 -1.678 1.00 0.00 H new ATOM 0 HB2 TYR A 33 4.497 14.001 -0.789 1.00 0.00 H new ATOM 0 HB3 TYR A 33 3.036 14.171 0.163 1.00 0.00 H new ATOM 0 HD1 TYR A 33 1.702 11.724 0.236 1.00 0.00 H new ATOM 0 HD2 TYR A 33 5.916 12.316 0.008 1.00 0.00 H new ATOM 0 HE1 TYR A 33 2.064 9.508 1.209 1.00 0.00 H new ATOM 0 HE2 TYR A 33 6.278 10.091 1.001 1.00 0.00 H new ATOM 0 HH TYR A 33 4.673 7.809 0.992 1.00 0.00 H new ATOM 531 N GLN A 34 1.970 15.113 -3.527 1.00 0.00 N ATOM 532 CA GLN A 34 1.693 16.448 -4.049 1.00 0.00 C ATOM 533 C GLN A 34 0.474 16.447 -4.966 1.00 0.00 C ATOM 534 O GLN A 34 -0.324 17.385 -4.946 1.00 0.00 O ATOM 535 CB GLN A 34 2.915 16.992 -4.794 1.00 0.00 C ATOM 536 CG GLN A 34 4.082 17.332 -3.877 1.00 0.00 C ATOM 537 CD GLN A 34 5.330 17.724 -4.636 1.00 0.00 C ATOM 538 OE1 GLN A 34 5.536 18.896 -4.953 1.00 0.00 O ATOM 539 NE2 GLN A 34 6.182 16.752 -4.911 1.00 0.00 N ATOM 0 H GLN A 34 1.814 14.356 -4.193 1.00 0.00 H new ATOM 0 HA GLN A 34 1.474 17.098 -3.202 1.00 0.00 H new ATOM 0 HB2 GLN A 34 3.242 16.255 -5.527 1.00 0.00 H new ATOM 0 HB3 GLN A 34 2.626 17.885 -5.347 1.00 0.00 H new ATOM 0 HG2 GLN A 34 3.793 18.149 -3.216 1.00 0.00 H new ATOM 0 HG3 GLN A 34 4.303 16.473 -3.244 1.00 0.00 H new ATOM 0 HE21 GLN A 34 5.971 15.794 -4.630 1.00 0.00 H new ATOM 0 HE22 GLN A 34 7.050 16.959 -5.404 1.00 0.00 H new ATOM 548 N ASP A 35 0.336 15.391 -5.765 1.00 0.00 N ATOM 549 CA ASP A 35 -0.772 15.269 -6.711 1.00 0.00 C ATOM 550 C ASP A 35 -2.117 15.365 -5.994 1.00 0.00 C ATOM 551 O ASP A 35 -2.345 14.695 -4.986 1.00 0.00 O ATOM 552 CB ASP A 35 -0.675 13.937 -7.452 1.00 0.00 C ATOM 553 CG ASP A 35 -1.707 13.791 -8.552 1.00 0.00 C ATOM 554 OD1 ASP A 35 -2.882 13.513 -8.242 1.00 0.00 O ATOM 555 OD2 ASP A 35 -1.339 13.942 -9.735 1.00 0.00 O ATOM 0 H ASP A 35 0.983 14.602 -5.776 1.00 0.00 H new ATOM 0 HA ASP A 35 -0.705 16.090 -7.425 1.00 0.00 H new ATOM 0 HB2 ASP A 35 0.322 13.839 -7.882 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -0.796 13.122 -6.739 1.00 0.00 H new ATOM 560 N PRO A 36 -3.019 16.215 -6.512 1.00 0.00 N ATOM 561 CA PRO A 36 -4.332 16.479 -5.906 1.00 0.00 C ATOM 562 C PRO A 36 -5.214 15.237 -5.747 1.00 0.00 C ATOM 563 O PRO A 36 -6.114 15.230 -4.908 1.00 0.00 O ATOM 564 CB PRO A 36 -4.984 17.471 -6.874 1.00 0.00 C ATOM 565 CG PRO A 36 -3.848 18.097 -7.601 1.00 0.00 C ATOM 566 CD PRO A 36 -2.813 17.021 -7.728 1.00 0.00 C ATOM 0 HA PRO A 36 -4.215 16.850 -4.888 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -5.662 16.965 -7.561 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -5.571 18.218 -6.339 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -4.160 18.459 -8.581 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -3.457 18.955 -7.054 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -2.955 16.430 -8.633 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -1.805 17.434 -7.772 1.00 0.00 H new ATOM 574 N SER A 37 -4.958 14.184 -6.522 1.00 0.00 N ATOM 575 CA SER A 37 -5.758 12.976 -6.421 1.00 0.00 C ATOM 576 C SER A 37 -5.231 12.131 -5.275 1.00 0.00 C ATOM 577 O SER A 37 -5.977 11.421 -4.604 1.00 0.00 O ATOM 578 CB SER A 37 -5.705 12.190 -7.733 1.00 0.00 C ATOM 579 OG SER A 37 -6.129 12.989 -8.827 1.00 0.00 O ATOM 0 H SER A 37 -4.212 14.147 -7.216 1.00 0.00 H new ATOM 0 HA SER A 37 -6.798 13.242 -6.229 1.00 0.00 H new ATOM 0 HB2 SER A 37 -4.688 11.838 -7.909 1.00 0.00 H new ATOM 0 HB3 SER A 37 -6.339 11.307 -7.657 1.00 0.00 H new ATOM 0 HG SER A 37 -6.084 12.463 -9.653 1.00 0.00 H new ATOM 585 N ASN A 38 -3.935 12.249 -5.039 1.00 0.00 N ATOM 586 CA ASN A 38 -3.286 11.522 -3.962 1.00 0.00 C ATOM 587 C ASN A 38 -3.636 12.154 -2.626 1.00 0.00 C ATOM 588 O ASN A 38 -3.611 11.498 -1.582 1.00 0.00 O ATOM 589 CB ASN A 38 -1.772 11.504 -4.156 1.00 0.00 C ATOM 590 CG ASN A 38 -1.379 11.001 -5.528 1.00 0.00 C ATOM 591 OD1 ASN A 38 -2.140 10.296 -6.189 1.00 0.00 O ATOM 592 ND2 ASN A 38 -0.174 11.337 -5.951 1.00 0.00 N ATOM 0 H ASN A 38 -3.310 12.844 -5.582 1.00 0.00 H new ATOM 0 HA ASN A 38 -3.644 10.493 -3.975 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -1.377 12.510 -4.012 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -1.317 10.871 -3.394 1.00 0.00 H new ATOM 0 HD21 ASN A 38 0.158 11.010 -6.858 1.00 0.00 H new ATOM 0 HD22 ASN A 38 0.425 11.924 -5.370 1.00 0.00 H new ATOM 599 N ALA A 39 -3.980 13.436 -2.676 1.00 0.00 N ATOM 600 CA ALA A 39 -4.426 14.165 -1.497 1.00 0.00 C ATOM 601 C ALA A 39 -5.666 13.513 -0.884 1.00 0.00 C ATOM 602 O ALA A 39 -5.880 13.592 0.322 1.00 0.00 O ATOM 603 CB ALA A 39 -4.709 15.617 -1.850 1.00 0.00 C ATOM 0 H ALA A 39 -3.958 13.995 -3.529 1.00 0.00 H new ATOM 0 HA ALA A 39 -3.627 14.133 -0.756 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -5.042 16.150 -0.959 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -3.801 16.082 -2.233 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -5.488 15.661 -2.611 1.00 0.00 H new ATOM 609 N GLN A 40 -6.469 12.861 -1.725 1.00 0.00 N ATOM 610 CA GLN A 40 -7.654 12.135 -1.268 1.00 0.00 C ATOM 611 C GLN A 40 -7.260 11.050 -0.275 1.00 0.00 C ATOM 612 O GLN A 40 -7.876 10.891 0.781 1.00 0.00 O ATOM 613 CB GLN A 40 -8.376 11.514 -2.470 1.00 0.00 C ATOM 614 CG GLN A 40 -9.519 10.574 -2.104 1.00 0.00 C ATOM 615 CD GLN A 40 -9.164 9.107 -2.308 1.00 0.00 C ATOM 616 OE1 GLN A 40 -9.364 8.553 -3.387 1.00 0.00 O ATOM 617 NE2 GLN A 40 -8.652 8.460 -1.269 1.00 0.00 N ATOM 0 H GLN A 40 -6.319 12.821 -2.733 1.00 0.00 H new ATOM 0 HA GLN A 40 -8.326 12.833 -0.769 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -8.768 12.315 -3.096 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -7.650 10.966 -3.071 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -9.796 10.735 -1.062 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -10.393 10.819 -2.708 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -8.499 8.950 -0.388 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -8.411 7.472 -1.351 1.00 0.00 H new ATOM 626 N PHE A 41 -6.227 10.301 -0.629 1.00 0.00 N ATOM 627 CA PHE A 41 -5.727 9.239 0.226 1.00 0.00 C ATOM 628 C PHE A 41 -5.140 9.830 1.489 1.00 0.00 C ATOM 629 O PHE A 41 -5.537 9.463 2.586 1.00 0.00 O ATOM 630 CB PHE A 41 -4.671 8.418 -0.504 1.00 0.00 C ATOM 631 CG PHE A 41 -5.143 7.894 -1.821 1.00 0.00 C ATOM 632 CD1 PHE A 41 -5.835 6.703 -1.900 1.00 0.00 C ATOM 633 CD2 PHE A 41 -4.900 8.604 -2.978 1.00 0.00 C ATOM 634 CE1 PHE A 41 -6.276 6.232 -3.119 1.00 0.00 C ATOM 635 CE2 PHE A 41 -5.337 8.139 -4.200 1.00 0.00 C ATOM 636 CZ PHE A 41 -6.027 6.948 -4.270 1.00 0.00 C ATOM 0 H PHE A 41 -5.718 10.411 -1.506 1.00 0.00 H new ATOM 0 HA PHE A 41 -6.556 8.582 0.488 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -3.785 9.034 -0.661 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -4.370 7.581 0.126 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -6.033 6.136 -1.002 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -4.360 9.538 -2.926 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -6.818 5.299 -3.172 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -5.140 8.705 -5.098 1.00 0.00 H new ATOM 0 HZ PHE A 41 -6.372 6.577 -5.224 1.00 0.00 H new ATOM 646 N LEU A 42 -4.221 10.774 1.314 1.00 0.00 N ATOM 647 CA LEU A 42 -3.576 11.452 2.434 1.00 0.00 C ATOM 648 C LEU A 42 -4.611 11.932 3.438 1.00 0.00 C ATOM 649 O LEU A 42 -4.439 11.778 4.644 1.00 0.00 O ATOM 650 CB LEU A 42 -2.766 12.638 1.926 1.00 0.00 C ATOM 651 CG LEU A 42 -1.632 12.281 0.977 1.00 0.00 C ATOM 652 CD1 LEU A 42 -0.930 13.537 0.481 1.00 0.00 C ATOM 653 CD2 LEU A 42 -0.645 11.351 1.667 1.00 0.00 C ATOM 0 H LEU A 42 -3.903 11.090 0.398 1.00 0.00 H new ATOM 0 HA LEU A 42 -2.911 10.744 2.929 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -3.440 13.329 1.420 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -2.350 13.168 2.782 1.00 0.00 H new ATOM 0 HG LEU A 42 -2.051 11.765 0.113 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -0.122 13.259 -0.196 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -1.645 14.169 -0.046 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -0.520 14.084 1.330 1.00 0.00 H new ATOM 0 HD21 LEU A 42 0.163 11.102 0.979 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -0.233 11.846 2.546 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -1.157 10.438 1.971 1.00 0.00 H new ATOM 665 N GLU A 43 -5.690 12.498 2.921 1.00 0.00 N ATOM 666 CA GLU A 43 -6.799 12.944 3.749 1.00 0.00 C ATOM 667 C GLU A 43 -7.401 11.800 4.555 1.00 0.00 C ATOM 668 O GLU A 43 -7.246 11.752 5.773 1.00 0.00 O ATOM 669 CB GLU A 43 -7.882 13.599 2.900 1.00 0.00 C ATOM 670 CG GLU A 43 -7.817 15.109 2.926 1.00 0.00 C ATOM 671 CD GLU A 43 -7.819 15.640 4.343 1.00 0.00 C ATOM 672 OE1 GLU A 43 -8.789 15.371 5.082 1.00 0.00 O ATOM 673 OE2 GLU A 43 -6.855 16.333 4.726 1.00 0.00 O ATOM 0 H GLU A 43 -5.821 12.660 1.923 1.00 0.00 H new ATOM 0 HA GLU A 43 -6.398 13.678 4.448 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -7.788 13.254 1.870 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -8.860 13.276 3.256 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -6.916 15.444 2.412 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -8.667 15.520 2.381 1.00 0.00 H new ATOM 680 N SER A 44 -8.073 10.879 3.876 1.00 0.00 N ATOM 681 CA SER A 44 -8.771 9.792 4.547 1.00 0.00 C ATOM 682 C SER A 44 -7.829 8.986 5.434 1.00 0.00 C ATOM 683 O SER A 44 -8.188 8.593 6.541 1.00 0.00 O ATOM 684 CB SER A 44 -9.426 8.886 3.507 1.00 0.00 C ATOM 685 OG SER A 44 -10.360 9.611 2.726 1.00 0.00 O ATOM 0 H SER A 44 -8.149 10.864 2.859 1.00 0.00 H new ATOM 0 HA SER A 44 -9.538 10.223 5.190 1.00 0.00 H new ATOM 0 HB2 SER A 44 -8.662 8.455 2.861 1.00 0.00 H new ATOM 0 HB3 SER A 44 -9.928 8.056 4.005 1.00 0.00 H new ATOM 0 HG SER A 44 -10.767 9.013 2.065 1.00 0.00 H new ATOM 691 N ILE A 45 -6.610 8.790 4.961 1.00 0.00 N ATOM 692 CA ILE A 45 -5.630 7.983 5.670 1.00 0.00 C ATOM 693 C ILE A 45 -5.139 8.695 6.933 1.00 0.00 C ATOM 694 O ILE A 45 -4.865 8.054 7.949 1.00 0.00 O ATOM 695 CB ILE A 45 -4.450 7.627 4.736 1.00 0.00 C ATOM 696 CG1 ILE A 45 -4.952 6.746 3.592 1.00 0.00 C ATOM 697 CG2 ILE A 45 -3.332 6.924 5.483 1.00 0.00 C ATOM 698 CD1 ILE A 45 -3.913 6.469 2.530 1.00 0.00 C ATOM 0 H ILE A 45 -6.273 9.182 4.082 1.00 0.00 H new ATOM 0 HA ILE A 45 -6.111 7.056 5.983 1.00 0.00 H new ATOM 0 HB ILE A 45 -4.043 8.556 4.337 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -5.299 5.798 4.002 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -5.813 7.227 3.127 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -2.522 6.691 4.791 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -2.958 7.574 6.274 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -3.711 6.001 5.921 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -4.346 5.838 1.754 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -3.582 7.410 2.090 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -3.061 5.959 2.979 1.00 0.00 H new ATOM 710 N ARG A 46 -5.064 10.022 6.884 1.00 0.00 N ATOM 711 CA ARG A 46 -4.650 10.800 8.049 1.00 0.00 C ATOM 712 C ARG A 46 -5.803 10.885 9.053 1.00 0.00 C ATOM 713 O ARG A 46 -5.586 11.013 10.257 1.00 0.00 O ATOM 714 CB ARG A 46 -4.180 12.206 7.628 1.00 0.00 C ATOM 715 CG ARG A 46 -5.281 13.258 7.605 1.00 0.00 C ATOM 716 CD ARG A 46 -5.009 14.355 6.585 1.00 0.00 C ATOM 717 NE ARG A 46 -3.738 15.044 6.799 1.00 0.00 N ATOM 718 CZ ARG A 46 -3.322 16.067 6.046 1.00 0.00 C ATOM 719 NH1 ARG A 46 -4.124 16.578 5.111 1.00 0.00 N ATOM 720 NH2 ARG A 46 -2.119 16.597 6.247 1.00 0.00 N ATOM 0 H ARG A 46 -5.282 10.578 6.057 1.00 0.00 H new ATOM 0 HA ARG A 46 -3.808 10.299 8.527 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -3.396 12.533 8.311 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -3.733 12.144 6.636 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -6.233 12.780 7.376 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -5.378 13.702 8.596 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -5.015 13.921 5.585 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -5.819 15.083 6.621 1.00 0.00 H new ATOM 0 HE ARG A 46 -3.138 14.728 7.561 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -5.056 16.188 4.970 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -3.805 17.359 4.537 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -1.512 16.223 6.977 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -1.803 17.378 5.672 1.00 0.00 H new ATOM 734 N ARG A 47 -7.032 10.806 8.543 1.00 0.00 N ATOM 735 CA ARG A 47 -8.222 10.820 9.390 1.00 0.00 C ATOM 736 C ARG A 47 -8.436 9.453 10.036 1.00 0.00 C ATOM 737 O ARG A 47 -9.145 9.328 11.033 1.00 0.00 O ATOM 738 CB ARG A 47 -9.469 11.206 8.584 1.00 0.00 C ATOM 739 CG ARG A 47 -9.313 12.472 7.752 1.00 0.00 C ATOM 740 CD ARG A 47 -8.831 13.639 8.591 1.00 0.00 C ATOM 741 NE ARG A 47 -8.424 14.780 7.768 1.00 0.00 N ATOM 742 CZ ARG A 47 -7.849 15.878 8.257 1.00 0.00 C ATOM 743 NH1 ARG A 47 -7.685 16.018 9.565 1.00 0.00 N ATOM 744 NH2 ARG A 47 -7.443 16.836 7.434 1.00 0.00 N ATOM 0 H ARG A 47 -7.229 10.732 7.545 1.00 0.00 H new ATOM 0 HA ARG A 47 -8.064 11.566 10.169 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -9.729 10.380 7.922 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -10.305 11.338 9.271 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -8.607 12.290 6.942 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -10.268 12.725 7.292 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -9.625 13.948 9.271 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -7.991 13.319 9.207 1.00 0.00 H new ATOM 0 HE ARG A 47 -8.590 14.731 6.763 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -7.999 15.284 10.200 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -7.244 16.860 9.937 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -7.571 16.732 6.427 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -7.003 17.677 7.808 1.00 0.00 H new ATOM 758 N GLY A 48 -7.818 8.431 9.455 1.00 0.00 N ATOM 759 CA GLY A 48 -7.967 7.079 9.961 1.00 0.00 C ATOM 760 C GLY A 48 -9.078 6.335 9.252 1.00 0.00 C ATOM 761 O GLY A 48 -9.525 5.280 9.706 1.00 0.00 O ATOM 0 H GLY A 48 -7.213 8.516 8.638 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -7.029 6.538 9.836 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -8.176 7.112 11.030 1.00 0.00 H new ATOM 765 N GLU A 49 -9.521 6.891 8.137 1.00 0.00 N ATOM 766 CA GLU A 49 -10.607 6.314 7.363 1.00 0.00 C ATOM 767 C GLU A 49 -10.057 5.487 6.210 1.00 0.00 C ATOM 768 O GLU A 49 -8.858 5.515 5.929 1.00 0.00 O ATOM 769 CB GLU A 49 -11.510 7.417 6.821 1.00 0.00 C ATOM 770 CG GLU A 49 -12.119 8.287 7.905 1.00 0.00 C ATOM 771 CD GLU A 49 -13.026 9.361 7.345 1.00 0.00 C ATOM 772 OE1 GLU A 49 -14.204 9.057 7.061 1.00 0.00 O ATOM 773 OE2 GLU A 49 -12.567 10.511 7.186 1.00 0.00 O ATOM 0 H GLU A 49 -9.140 7.752 7.744 1.00 0.00 H new ATOM 0 HA GLU A 49 -11.189 5.664 8.017 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -10.935 8.046 6.142 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -12.311 6.965 6.236 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -12.686 7.660 8.594 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -11.321 8.754 8.482 1.00 0.00 H new ATOM 780 N VAL A 50 -10.937 4.755 5.546 1.00 0.00 N ATOM 781 CA VAL A 50 -10.538 3.897 4.442 1.00 0.00 C ATOM 782 C VAL A 50 -10.818 4.569 3.100 1.00 0.00 C ATOM 783 O VAL A 50 -11.972 4.814 2.749 1.00 0.00 O ATOM 784 CB VAL A 50 -11.264 2.535 4.487 1.00 0.00 C ATOM 785 CG1 VAL A 50 -10.817 1.652 3.332 1.00 0.00 C ATOM 786 CG2 VAL A 50 -11.019 1.836 5.818 1.00 0.00 C ATOM 0 H VAL A 50 -11.936 4.738 5.753 1.00 0.00 H new ATOM 0 HA VAL A 50 -9.467 3.726 4.547 1.00 0.00 H new ATOM 0 HB VAL A 50 -12.334 2.717 4.388 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -11.340 0.697 3.381 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -11.048 2.144 2.387 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -9.742 1.482 3.399 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -11.540 0.879 5.827 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -9.950 1.669 5.950 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -11.392 2.460 6.631 1.00 0.00 H new ATOM 796 N PRO A 51 -9.753 4.899 2.351 1.00 0.00 N ATOM 797 CA PRO A 51 -9.865 5.462 1.000 1.00 0.00 C ATOM 798 C PRO A 51 -10.696 4.579 0.066 1.00 0.00 C ATOM 799 O PRO A 51 -10.611 3.348 0.112 1.00 0.00 O ATOM 800 CB PRO A 51 -8.413 5.513 0.513 1.00 0.00 C ATOM 801 CG PRO A 51 -7.593 5.551 1.743 1.00 0.00 C ATOM 802 CD PRO A 51 -8.349 4.768 2.781 1.00 0.00 C ATOM 0 HA PRO A 51 -10.367 6.430 1.008 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -8.171 4.641 -0.095 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -8.236 6.393 -0.106 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -6.609 5.115 1.568 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -7.433 6.578 2.071 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -8.032 3.725 2.808 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -8.195 5.173 3.781 1.00 0.00 H new ATOM 810 N ALA A 52 -11.475 5.228 -0.801 1.00 0.00 N ATOM 811 CA ALA A 52 -12.377 4.541 -1.721 1.00 0.00 C ATOM 812 C ALA A 52 -11.616 3.621 -2.668 1.00 0.00 C ATOM 813 O ALA A 52 -12.181 2.680 -3.210 1.00 0.00 O ATOM 814 CB ALA A 52 -13.189 5.557 -2.511 1.00 0.00 C ATOM 0 H ALA A 52 -11.497 6.244 -0.884 1.00 0.00 H new ATOM 0 HA ALA A 52 -13.052 3.922 -1.130 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -13.859 5.035 -3.194 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -13.775 6.168 -1.824 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -12.516 6.197 -3.081 1.00 0.00 H new ATOM 820 N GLU A 53 -10.333 3.907 -2.855 1.00 0.00 N ATOM 821 CA GLU A 53 -9.455 3.074 -3.672 1.00 0.00 C ATOM 822 C GLU A 53 -9.459 1.634 -3.172 1.00 0.00 C ATOM 823 O GLU A 53 -9.570 0.681 -3.947 1.00 0.00 O ATOM 824 CB GLU A 53 -8.032 3.620 -3.601 1.00 0.00 C ATOM 825 CG GLU A 53 -7.067 2.974 -4.574 1.00 0.00 C ATOM 826 CD GLU A 53 -7.333 3.375 -6.010 1.00 0.00 C ATOM 827 OE1 GLU A 53 -8.417 3.047 -6.533 1.00 0.00 O ATOM 828 OE2 GLU A 53 -6.459 4.027 -6.621 1.00 0.00 O ATOM 0 H GLU A 53 -9.872 4.720 -2.447 1.00 0.00 H new ATOM 0 HA GLU A 53 -9.817 3.092 -4.700 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -8.057 4.693 -3.791 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -7.653 3.484 -2.588 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -6.047 3.250 -4.306 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -7.137 1.890 -4.484 1.00 0.00 H new ATOM 835 N LEU A 54 -9.354 1.493 -1.860 1.00 0.00 N ATOM 836 CA LEU A 54 -9.264 0.190 -1.232 1.00 0.00 C ATOM 837 C LEU A 54 -10.660 -0.382 -1.097 1.00 0.00 C ATOM 838 O LEU A 54 -10.862 -1.597 -1.071 1.00 0.00 O ATOM 839 CB LEU A 54 -8.620 0.314 0.151 1.00 0.00 C ATOM 840 CG LEU A 54 -7.626 1.453 0.320 1.00 0.00 C ATOM 841 CD1 LEU A 54 -7.125 1.486 1.754 1.00 0.00 C ATOM 842 CD2 LEU A 54 -6.469 1.294 -0.644 1.00 0.00 C ATOM 0 H LEU A 54 -9.329 2.275 -1.206 1.00 0.00 H new ATOM 0 HA LEU A 54 -8.648 -0.469 -1.844 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -9.412 0.436 0.890 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -8.112 -0.623 0.380 1.00 0.00 H new ATOM 0 HG LEU A 54 -8.125 2.396 0.098 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -6.413 2.303 1.872 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -7.967 1.638 2.430 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -6.635 0.541 1.990 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -5.768 2.117 -0.509 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -5.961 0.349 -0.450 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -6.844 1.301 -1.667 1.00 0.00 H new ATOM 854 N ARG A 55 -11.622 0.528 -1.005 1.00 0.00 N ATOM 855 CA ARG A 55 -13.030 0.168 -0.949 1.00 0.00 C ATOM 856 C ARG A 55 -13.465 -0.455 -2.272 1.00 0.00 C ATOM 857 O ARG A 55 -14.334 -1.323 -2.309 1.00 0.00 O ATOM 858 CB ARG A 55 -13.875 1.409 -0.656 1.00 0.00 C ATOM 859 CG ARG A 55 -15.312 1.098 -0.290 1.00 0.00 C ATOM 860 CD ARG A 55 -15.380 0.378 1.041 1.00 0.00 C ATOM 861 NE ARG A 55 -16.746 -0.022 1.379 1.00 0.00 N ATOM 862 CZ ARG A 55 -17.218 -0.091 2.622 1.00 0.00 C ATOM 863 NH1 ARG A 55 -16.442 0.231 3.647 1.00 0.00 N ATOM 864 NH2 ARG A 55 -18.471 -0.467 2.839 1.00 0.00 N ATOM 0 H ARG A 55 -11.447 1.532 -0.967 1.00 0.00 H new ATOM 0 HA ARG A 55 -13.176 -0.559 -0.150 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -13.415 1.966 0.160 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -13.865 2.059 -1.531 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -15.888 2.022 -0.239 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -15.765 0.482 -1.066 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -14.741 -0.505 1.009 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -14.988 1.027 1.824 1.00 0.00 H new ATOM 0 HE ARG A 55 -17.376 -0.263 0.614 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -15.481 0.532 3.484 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -16.806 0.177 4.598 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -19.076 -0.704 2.053 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -18.830 -0.519 3.792 1.00 0.00 H new ATOM 878 N ARG A 56 -12.851 -0.001 -3.358 1.00 0.00 N ATOM 879 CA ARG A 56 -13.092 -0.569 -4.675 1.00 0.00 C ATOM 880 C ARG A 56 -12.193 -1.781 -4.896 1.00 0.00 C ATOM 881 O ARG A 56 -11.672 -1.997 -5.988 1.00 0.00 O ATOM 882 CB ARG A 56 -12.850 0.474 -5.769 1.00 0.00 C ATOM 883 CG ARG A 56 -13.736 1.704 -5.643 1.00 0.00 C ATOM 884 CD ARG A 56 -15.214 1.338 -5.667 1.00 0.00 C ATOM 885 NE ARG A 56 -15.630 0.782 -6.955 1.00 0.00 N ATOM 886 CZ ARG A 56 -16.895 0.534 -7.286 1.00 0.00 C ATOM 887 NH1 ARG A 56 -17.865 0.700 -6.394 1.00 0.00 N ATOM 888 NH2 ARG A 56 -17.185 0.095 -8.504 1.00 0.00 N ATOM 0 H ARG A 56 -12.178 0.765 -3.350 1.00 0.00 H new ATOM 0 HA ARG A 56 -14.134 -0.885 -4.727 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -11.805 0.784 -5.739 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -13.018 0.013 -6.742 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -13.505 2.225 -4.714 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -13.519 2.394 -6.458 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -15.419 0.614 -4.878 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -15.809 2.225 -5.448 1.00 0.00 H new ATOM 0 HE ARG A 56 -14.906 0.571 -7.642 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -17.642 1.019 -5.451 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -18.833 0.509 -6.652 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -16.439 -0.052 -9.184 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -18.154 -0.096 -8.760 1.00 0.00 H new ATOM 902 N LEU A 57 -11.987 -2.536 -3.831 1.00 0.00 N ATOM 903 CA LEU A 57 -11.235 -3.770 -3.874 1.00 0.00 C ATOM 904 C LEU A 57 -11.825 -4.720 -2.846 1.00 0.00 C ATOM 905 O LEU A 57 -12.313 -5.801 -3.179 1.00 0.00 O ATOM 906 CB LEU A 57 -9.760 -3.485 -3.573 1.00 0.00 C ATOM 907 CG LEU A 57 -8.780 -4.640 -3.824 1.00 0.00 C ATOM 908 CD1 LEU A 57 -7.376 -4.094 -4.025 1.00 0.00 C ATOM 909 CD2 LEU A 57 -8.783 -5.629 -2.665 1.00 0.00 C ATOM 0 H LEU A 57 -12.343 -2.304 -2.904 1.00 0.00 H new ATOM 0 HA LEU A 57 -11.294 -4.224 -4.863 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -9.446 -2.633 -4.176 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -9.675 -3.185 -2.528 1.00 0.00 H new ATOM 0 HG LEU A 57 -9.102 -5.165 -4.723 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -6.687 -4.919 -4.202 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -7.366 -3.422 -4.883 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -7.067 -3.548 -3.134 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -8.079 -6.435 -2.873 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -8.488 -5.117 -1.749 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -9.784 -6.044 -2.543 1.00 0.00 H new ATOM 921 N ALA A 58 -11.799 -4.286 -1.597 1.00 0.00 N ATOM 922 CA ALA A 58 -12.380 -5.051 -0.508 1.00 0.00 C ATOM 923 C ALA A 58 -13.844 -4.677 -0.311 1.00 0.00 C ATOM 924 O ALA A 58 -14.219 -3.511 -0.406 1.00 0.00 O ATOM 925 CB ALA A 58 -11.586 -4.830 0.758 1.00 0.00 C ATOM 0 H ALA A 58 -11.379 -3.402 -1.311 1.00 0.00 H new ATOM 0 HA ALA A 58 -12.340 -6.111 -0.759 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -12.028 -5.407 1.570 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -10.556 -5.152 0.603 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -11.600 -3.771 1.016 1.00 0.00 H new ATOM 931 N HIS A 59 -14.655 -5.674 0.001 1.00 0.00 N ATOM 932 CA HIS A 59 -16.109 -5.523 -0.026 1.00 0.00 C ATOM 933 C HIS A 59 -16.680 -5.300 1.368 1.00 0.00 C ATOM 934 O HIS A 59 -16.202 -5.882 2.335 1.00 0.00 O ATOM 935 CB HIS A 59 -16.754 -6.777 -0.625 1.00 0.00 C ATOM 936 CG HIS A 59 -16.096 -7.260 -1.884 1.00 0.00 C ATOM 937 ND1 HIS A 59 -16.325 -6.700 -3.120 1.00 0.00 N ATOM 938 CD2 HIS A 59 -15.204 -8.256 -2.086 1.00 0.00 C ATOM 939 CE1 HIS A 59 -15.605 -7.330 -4.026 1.00 0.00 C ATOM 940 NE2 HIS A 59 -14.914 -8.279 -3.425 1.00 0.00 N ATOM 0 H HIS A 59 -14.334 -6.602 0.278 1.00 0.00 H new ATOM 0 HA HIS A 59 -16.333 -4.649 -0.638 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -16.728 -7.576 0.116 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -17.804 -6.569 -0.833 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -14.796 -8.912 -1.331 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -15.584 -7.107 -5.082 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -14.270 -8.924 -3.882 1.00 0.00 H new ATOM 949 N GLY A 60 -17.692 -4.440 1.456 1.00 0.00 N ATOM 950 CA GLY A 60 -18.465 -4.287 2.684 1.00 0.00 C ATOM 951 C GLY A 60 -17.704 -3.646 3.834 1.00 0.00 C ATOM 952 O GLY A 60 -18.288 -3.339 4.872 1.00 0.00 O ATOM 0 H GLY A 60 -17.995 -3.838 0.690 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -19.348 -3.685 2.470 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -18.817 -5.269 3.001 1.00 0.00 H new ATOM 956 N GLY A 61 -16.416 -3.421 3.653 1.00 0.00 N ATOM 957 CA GLY A 61 -15.599 -2.912 4.734 1.00 0.00 C ATOM 958 C GLY A 61 -14.561 -3.912 5.163 1.00 0.00 C ATOM 959 O GLY A 61 -13.906 -3.743 6.191 1.00 0.00 O ATOM 0 H GLY A 61 -15.919 -3.581 2.777 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -15.109 -1.991 4.418 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -16.234 -2.660 5.583 1.00 0.00 H new ATOM 963 N GLN A 62 -14.437 -4.969 4.375 1.00 0.00 N ATOM 964 CA GLN A 62 -13.374 -5.941 4.493 1.00 0.00 C ATOM 965 C GLN A 62 -12.034 -5.292 4.132 1.00 0.00 C ATOM 966 O GLN A 62 -11.220 -5.874 3.441 1.00 0.00 O ATOM 967 CB GLN A 62 -13.712 -7.097 3.539 1.00 0.00 C ATOM 968 CG GLN A 62 -12.674 -8.195 3.423 1.00 0.00 C ATOM 969 CD GLN A 62 -13.048 -9.229 2.385 1.00 0.00 C ATOM 970 OE1 GLN A 62 -12.704 -9.106 1.210 1.00 0.00 O ATOM 971 NE2 GLN A 62 -13.772 -10.244 2.813 1.00 0.00 N ATOM 0 H GLN A 62 -15.091 -5.175 3.620 1.00 0.00 H new ATOM 0 HA GLN A 62 -13.286 -6.315 5.513 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -14.651 -7.546 3.864 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -13.884 -6.682 2.546 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -11.711 -7.756 3.165 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -12.553 -8.682 4.391 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -14.034 -10.305 3.797 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -14.070 -10.969 2.160 1.00 0.00 H new ATOM 980 N VAL A 63 -11.800 -4.087 4.612 1.00 0.00 N ATOM 981 CA VAL A 63 -10.642 -3.332 4.188 1.00 0.00 C ATOM 982 C VAL A 63 -10.177 -2.334 5.244 1.00 0.00 C ATOM 983 O VAL A 63 -10.950 -1.508 5.733 1.00 0.00 O ATOM 984 CB VAL A 63 -10.917 -2.582 2.868 1.00 0.00 C ATOM 985 CG1 VAL A 63 -12.133 -1.670 2.985 1.00 0.00 C ATOM 986 CG2 VAL A 63 -9.689 -1.802 2.436 1.00 0.00 C ATOM 0 H VAL A 63 -12.394 -3.613 5.292 1.00 0.00 H new ATOM 0 HA VAL A 63 -9.847 -4.061 4.035 1.00 0.00 H new ATOM 0 HB VAL A 63 -11.142 -3.323 2.101 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -12.296 -1.158 2.037 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -13.012 -2.265 3.232 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -11.961 -0.934 3.770 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -9.900 -1.279 1.503 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -9.428 -1.078 3.208 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -8.856 -2.489 2.286 1.00 0.00 H new ATOM 996 N ASN A 64 -8.920 -2.454 5.620 1.00 0.00 N ATOM 997 CA ASN A 64 -8.233 -1.423 6.361 1.00 0.00 C ATOM 998 C ASN A 64 -6.870 -1.216 5.722 1.00 0.00 C ATOM 999 O ASN A 64 -6.398 -2.082 4.987 1.00 0.00 O ATOM 1000 CB ASN A 64 -8.094 -1.830 7.821 1.00 0.00 C ATOM 1001 CG ASN A 64 -7.801 -0.642 8.715 1.00 0.00 C ATOM 1002 OD1 ASN A 64 -6.649 -0.353 9.031 1.00 0.00 O ATOM 1003 ND2 ASN A 64 -8.845 0.068 9.111 1.00 0.00 N ATOM 0 H ASN A 64 -8.347 -3.273 5.418 1.00 0.00 H new ATOM 0 HA ASN A 64 -8.798 -0.491 6.333 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -9.013 -2.315 8.151 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -7.294 -2.563 7.918 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -8.709 0.889 9.701 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -9.785 -0.206 8.826 1.00 0.00 H new ATOM 1010 N LEU A 65 -6.237 -0.090 5.984 1.00 0.00 N ATOM 1011 CA LEU A 65 -4.977 0.221 5.333 1.00 0.00 C ATOM 1012 C LEU A 65 -3.825 -0.005 6.299 1.00 0.00 C ATOM 1013 O LEU A 65 -4.000 0.051 7.518 1.00 0.00 O ATOM 1014 CB LEU A 65 -4.975 1.662 4.826 1.00 0.00 C ATOM 1015 CG LEU A 65 -4.349 2.668 5.777 1.00 0.00 C ATOM 1016 CD1 LEU A 65 -3.196 3.397 5.103 1.00 0.00 C ATOM 1017 CD2 LEU A 65 -5.400 3.648 6.259 1.00 0.00 C ATOM 0 H LEU A 65 -6.569 0.620 6.637 1.00 0.00 H new ATOM 0 HA LEU A 65 -4.853 -0.441 4.476 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -4.440 1.698 3.877 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -6.003 1.964 4.625 1.00 0.00 H new ATOM 0 HG LEU A 65 -3.949 2.135 6.640 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -2.761 4.113 5.800 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -2.436 2.676 4.802 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -3.564 3.925 4.223 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -4.943 4.366 6.940 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -5.823 4.177 5.405 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -6.191 3.107 6.779 1.00 0.00 H new ATOM 1029 N ASP A 66 -2.656 -0.272 5.752 1.00 0.00 N ATOM 1030 CA ASP A 66 -1.486 -0.549 6.563 1.00 0.00 C ATOM 1031 C ASP A 66 -0.384 0.442 6.219 1.00 0.00 C ATOM 1032 O ASP A 66 -0.446 1.086 5.179 1.00 0.00 O ATOM 1033 CB ASP A 66 -1.007 -1.979 6.309 1.00 0.00 C ATOM 1034 CG ASP A 66 -0.466 -2.649 7.551 1.00 0.00 C ATOM 1035 OD1 ASP A 66 0.646 -2.294 7.995 1.00 0.00 O ATOM 1036 OD2 ASP A 66 -1.154 -3.542 8.088 1.00 0.00 O ATOM 0 H ASP A 66 -2.490 -0.303 4.746 1.00 0.00 H new ATOM 0 HA ASP A 66 -1.742 -0.446 7.618 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -1.835 -2.569 5.915 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -0.232 -1.966 5.543 1.00 0.00 H new ATOM 1041 N MET A 67 0.616 0.571 7.076 1.00 0.00 N ATOM 1042 CA MET A 67 1.694 1.522 6.837 1.00 0.00 C ATOM 1043 C MET A 67 3.060 0.845 6.893 1.00 0.00 C ATOM 1044 O MET A 67 3.365 0.101 7.828 1.00 0.00 O ATOM 1045 CB MET A 67 1.639 2.671 7.846 1.00 0.00 C ATOM 1046 CG MET A 67 0.412 3.557 7.708 1.00 0.00 C ATOM 1047 SD MET A 67 0.401 4.912 8.900 1.00 0.00 S ATOM 1048 CE MET A 67 -1.073 5.793 8.395 1.00 0.00 C ATOM 0 H MET A 67 0.705 0.034 7.938 1.00 0.00 H new ATOM 0 HA MET A 67 1.554 1.925 5.834 1.00 0.00 H new ATOM 0 HB2 MET A 67 1.664 2.257 8.854 1.00 0.00 H new ATOM 0 HB3 MET A 67 2.532 3.285 7.731 1.00 0.00 H new ATOM 0 HG2 MET A 67 0.374 3.965 6.698 1.00 0.00 H new ATOM 0 HG3 MET A 67 -0.485 2.953 7.841 1.00 0.00 H new ATOM 0 HE1 MET A 67 -1.217 6.661 9.039 1.00 0.00 H new ATOM 0 HE2 MET A 67 -0.964 6.122 7.362 1.00 0.00 H new ATOM 0 HE3 MET A 67 -1.937 5.133 8.477 1.00 0.00 H new ATOM 1058 N GLU A 68 3.875 1.115 5.884 1.00 0.00 N ATOM 1059 CA GLU A 68 5.213 0.549 5.787 1.00 0.00 C ATOM 1060 C GLU A 68 6.183 1.631 5.311 1.00 0.00 C ATOM 1061 O GLU A 68 5.845 2.411 4.427 1.00 0.00 O ATOM 1062 CB GLU A 68 5.192 -0.627 4.804 1.00 0.00 C ATOM 1063 CG GLU A 68 6.287 -1.648 5.034 1.00 0.00 C ATOM 1064 CD GLU A 68 6.159 -2.843 4.114 1.00 0.00 C ATOM 1065 OE1 GLU A 68 5.451 -3.797 4.468 1.00 0.00 O ATOM 1066 OE2 GLU A 68 6.774 -2.834 3.027 1.00 0.00 O ATOM 0 H GLU A 68 3.628 1.732 5.110 1.00 0.00 H new ATOM 0 HA GLU A 68 5.541 0.187 6.761 1.00 0.00 H new ATOM 0 HB2 GLU A 68 4.225 -1.126 4.872 1.00 0.00 H new ATOM 0 HB3 GLU A 68 5.280 -0.239 3.789 1.00 0.00 H new ATOM 0 HG2 GLU A 68 7.258 -1.177 4.881 1.00 0.00 H new ATOM 0 HG3 GLU A 68 6.255 -1.985 6.070 1.00 0.00 H new ATOM 1073 N ASP A 69 7.382 1.679 5.877 1.00 0.00 N ATOM 1074 CA ASP A 69 8.336 2.743 5.548 1.00 0.00 C ATOM 1075 C ASP A 69 9.421 2.249 4.600 1.00 0.00 C ATOM 1076 O ASP A 69 10.098 1.254 4.868 1.00 0.00 O ATOM 1077 CB ASP A 69 8.979 3.309 6.824 1.00 0.00 C ATOM 1078 CG ASP A 69 10.264 4.089 6.563 1.00 0.00 C ATOM 1079 OD1 ASP A 69 10.333 4.838 5.567 1.00 0.00 O ATOM 1080 OD2 ASP A 69 11.218 3.953 7.364 1.00 0.00 O ATOM 0 H ASP A 69 7.720 1.002 6.561 1.00 0.00 H new ATOM 0 HA ASP A 69 7.779 3.534 5.046 1.00 0.00 H new ATOM 0 HB2 ASP A 69 8.263 3.961 7.324 1.00 0.00 H new ATOM 0 HB3 ASP A 69 9.194 2.488 7.508 1.00 0.00 H new ATOM 1085 N HIS A 70 9.562 2.947 3.477 1.00 0.00 N ATOM 1086 CA HIS A 70 10.613 2.670 2.504 1.00 0.00 C ATOM 1087 C HIS A 70 11.042 3.966 1.829 1.00 0.00 C ATOM 1088 O HIS A 70 11.348 3.984 0.637 1.00 0.00 O ATOM 1089 CB HIS A 70 10.146 1.683 1.430 1.00 0.00 C ATOM 1090 CG HIS A 70 9.836 0.310 1.929 1.00 0.00 C ATOM 1091 ND1 HIS A 70 10.757 -0.719 1.951 1.00 0.00 N ATOM 1092 CD2 HIS A 70 8.687 -0.211 2.411 1.00 0.00 C ATOM 1093 CE1 HIS A 70 10.180 -1.806 2.423 1.00 0.00 C ATOM 1094 NE2 HIS A 70 8.929 -1.523 2.708 1.00 0.00 N ATOM 0 H HIS A 70 8.951 3.721 3.216 1.00 0.00 H new ATOM 0 HA HIS A 70 11.450 2.224 3.041 1.00 0.00 H new ATOM 0 HB2 HIS A 70 9.256 2.088 0.948 1.00 0.00 H new ATOM 0 HB3 HIS A 70 10.918 1.610 0.664 1.00 0.00 H new ATOM 0 HD2 HIS A 70 7.751 0.312 2.538 1.00 0.00 H new ATOM 0 HE1 HIS A 70 10.655 -2.767 2.553 1.00 0.00 H new ATOM 0 HE2 HIS A 70 8.247 -2.178 3.090 1.00 0.00 H new ATOM 1103 N ARG A 71 11.044 5.049 2.592 1.00 0.00 N ATOM 1104 CA ARG A 71 11.421 6.364 2.081 1.00 0.00 C ATOM 1105 C ARG A 71 12.858 6.356 1.577 1.00 0.00 C ATOM 1106 O ARG A 71 13.203 7.041 0.617 1.00 0.00 O ATOM 1107 CB ARG A 71 11.270 7.408 3.184 1.00 0.00 C ATOM 1108 CG ARG A 71 9.902 7.384 3.835 1.00 0.00 C ATOM 1109 CD ARG A 71 9.898 8.078 5.186 1.00 0.00 C ATOM 1110 NE ARG A 71 9.983 9.530 5.074 1.00 0.00 N ATOM 1111 CZ ARG A 71 9.559 10.367 6.021 1.00 0.00 C ATOM 1112 NH1 ARG A 71 9.062 9.888 7.158 1.00 0.00 N ATOM 1113 NH2 ARG A 71 9.628 11.679 5.829 1.00 0.00 N ATOM 0 H ARG A 71 10.786 5.044 3.579 1.00 0.00 H new ATOM 0 HA ARG A 71 10.763 6.613 1.249 1.00 0.00 H new ATOM 0 HB2 ARG A 71 12.032 7.238 3.945 1.00 0.00 H new ATOM 0 HB3 ARG A 71 11.451 8.399 2.767 1.00 0.00 H new ATOM 0 HG2 ARG A 71 9.180 7.868 3.177 1.00 0.00 H new ATOM 0 HG3 ARG A 71 9.578 6.351 3.958 1.00 0.00 H new ATOM 0 HD2 ARG A 71 8.988 7.812 5.724 1.00 0.00 H new ATOM 0 HD3 ARG A 71 10.737 7.714 5.779 1.00 0.00 H new ATOM 0 HE ARG A 71 10.388 9.926 4.226 1.00 0.00 H new ATOM 0 HH11 ARG A 71 9.005 8.880 7.305 1.00 0.00 H new ATOM 0 HH12 ARG A 71 8.738 10.528 7.883 1.00 0.00 H new ATOM 0 HH21 ARG A 71 10.006 12.048 4.956 1.00 0.00 H new ATOM 0 HH22 ARG A 71 9.303 12.318 6.554 1.00 0.00 H new ATOM 1127 N ASP A 72 13.684 5.561 2.236 1.00 0.00 N ATOM 1128 CA ASP A 72 15.094 5.436 1.888 1.00 0.00 C ATOM 1129 C ASP A 72 15.276 4.473 0.710 1.00 0.00 C ATOM 1130 O ASP A 72 16.365 4.334 0.151 1.00 0.00 O ATOM 1131 CB ASP A 72 15.859 4.949 3.131 1.00 0.00 C ATOM 1132 CG ASP A 72 17.322 4.642 2.887 1.00 0.00 C ATOM 1133 OD1 ASP A 72 18.125 5.587 2.782 1.00 0.00 O ATOM 1134 OD2 ASP A 72 17.679 3.446 2.841 1.00 0.00 O ATOM 0 H ASP A 72 13.399 4.984 3.027 1.00 0.00 H new ATOM 0 HA ASP A 72 15.489 6.403 1.575 1.00 0.00 H new ATOM 0 HB2 ASP A 72 15.785 5.709 3.909 1.00 0.00 H new ATOM 0 HB3 ASP A 72 15.372 4.053 3.514 1.00 0.00 H new ATOM 1139 N GLU A 73 14.187 3.827 0.328 1.00 0.00 N ATOM 1140 CA GLU A 73 14.196 2.849 -0.743 1.00 0.00 C ATOM 1141 C GLU A 73 13.611 3.418 -2.031 1.00 0.00 C ATOM 1142 O GLU A 73 14.201 3.291 -3.105 1.00 0.00 O ATOM 1143 CB GLU A 73 13.369 1.644 -0.307 1.00 0.00 C ATOM 1144 CG GLU A 73 14.093 0.708 0.643 1.00 0.00 C ATOM 1145 CD GLU A 73 15.213 -0.054 -0.031 1.00 0.00 C ATOM 1146 OE1 GLU A 73 16.311 0.510 -0.193 1.00 0.00 O ATOM 1147 OE2 GLU A 73 14.996 -1.228 -0.401 1.00 0.00 O ATOM 0 H GLU A 73 13.271 3.967 0.754 1.00 0.00 H new ATOM 0 HA GLU A 73 15.229 2.564 -0.942 1.00 0.00 H new ATOM 0 HB2 GLU A 73 12.456 1.997 0.173 1.00 0.00 H new ATOM 0 HB3 GLU A 73 13.067 1.084 -1.192 1.00 0.00 H new ATOM 0 HG2 GLU A 73 14.499 1.284 1.475 1.00 0.00 H new ATOM 0 HG3 GLU A 73 13.379 0.000 1.064 1.00 0.00 H new ATOM 1154 N ASP A 74 12.453 4.050 -1.889 1.00 0.00 N ATOM 1155 CA ASP A 74 11.608 4.471 -3.009 1.00 0.00 C ATOM 1156 C ASP A 74 10.975 3.249 -3.669 1.00 0.00 C ATOM 1157 O ASP A 74 11.238 2.113 -3.264 1.00 0.00 O ATOM 1158 CB ASP A 74 12.347 5.315 -4.050 1.00 0.00 C ATOM 1159 CG ASP A 74 11.396 6.112 -4.922 1.00 0.00 C ATOM 1160 OD1 ASP A 74 10.671 6.981 -4.397 1.00 0.00 O ATOM 1161 OD2 ASP A 74 11.347 5.844 -6.140 1.00 0.00 O ATOM 0 H ASP A 74 12.064 4.291 -0.977 1.00 0.00 H new ATOM 0 HA ASP A 74 10.834 5.115 -2.591 1.00 0.00 H new ATOM 0 HB2 ASP A 74 13.030 5.997 -3.544 1.00 0.00 H new ATOM 0 HB3 ASP A 74 12.954 4.664 -4.679 1.00 0.00 H new ATOM 1166 N PHE A 75 10.173 3.483 -4.694 1.00 0.00 N ATOM 1167 CA PHE A 75 9.222 2.486 -5.184 1.00 0.00 C ATOM 1168 C PHE A 75 9.901 1.182 -5.568 1.00 0.00 C ATOM 1169 O PHE A 75 10.953 1.186 -6.212 1.00 0.00 O ATOM 1170 CB PHE A 75 8.447 3.037 -6.371 1.00 0.00 C ATOM 1171 CG PHE A 75 7.256 2.203 -6.739 1.00 0.00 C ATOM 1172 CD1 PHE A 75 6.339 1.832 -5.770 1.00 0.00 C ATOM 1173 CD2 PHE A 75 7.040 1.811 -8.047 1.00 0.00 C ATOM 1174 CE1 PHE A 75 5.230 1.089 -6.096 1.00 0.00 C ATOM 1175 CE2 PHE A 75 5.932 1.061 -8.380 1.00 0.00 C ATOM 1176 CZ PHE A 75 5.026 0.698 -7.403 1.00 0.00 C ATOM 0 H PHE A 75 10.158 4.362 -5.211 1.00 0.00 H new ATOM 0 HA PHE A 75 8.534 2.268 -4.367 1.00 0.00 H new ATOM 0 HB2 PHE A 75 8.116 4.050 -6.142 1.00 0.00 H new ATOM 0 HB3 PHE A 75 9.113 3.106 -7.231 1.00 0.00 H new ATOM 0 HD1 PHE A 75 6.498 2.131 -4.744 1.00 0.00 H new ATOM 0 HD2 PHE A 75 7.745 2.095 -8.814 1.00 0.00 H new ATOM 0 HE1 PHE A 75 4.520 0.812 -5.331 1.00 0.00 H new ATOM 0 HE2 PHE A 75 5.773 0.758 -9.404 1.00 0.00 H new ATOM 0 HZ PHE A 75 4.159 0.109 -7.662 1.00 0.00 H new ATOM 1186 N VAL A 76 9.292 0.062 -5.179 1.00 0.00 N ATOM 1187 CA VAL A 76 9.915 -1.225 -5.422 1.00 0.00 C ATOM 1188 C VAL A 76 8.973 -2.414 -5.225 1.00 0.00 C ATOM 1189 O VAL A 76 9.287 -3.527 -5.649 1.00 0.00 O ATOM 1190 CB VAL A 76 11.139 -1.398 -4.499 1.00 0.00 C ATOM 1191 CG1 VAL A 76 10.727 -1.877 -3.112 1.00 0.00 C ATOM 1192 CG2 VAL A 76 12.169 -2.333 -5.120 1.00 0.00 C ATOM 0 H VAL A 76 8.389 0.025 -4.706 1.00 0.00 H new ATOM 0 HA VAL A 76 10.211 -1.223 -6.471 1.00 0.00 H new ATOM 0 HB VAL A 76 11.604 -0.419 -4.384 1.00 0.00 H new ATOM 0 HG11 VAL A 76 11.613 -1.988 -2.487 1.00 0.00 H new ATOM 0 HG12 VAL A 76 10.054 -1.148 -2.660 1.00 0.00 H new ATOM 0 HG13 VAL A 76 10.219 -2.838 -3.195 1.00 0.00 H new ATOM 0 HG21 VAL A 76 13.020 -2.435 -4.447 1.00 0.00 H new ATOM 0 HG22 VAL A 76 11.718 -3.311 -5.287 1.00 0.00 H new ATOM 0 HG23 VAL A 76 12.507 -1.922 -6.071 1.00 0.00 H new ATOM 1202 N LYS A 77 7.823 -2.202 -4.596 1.00 0.00 N ATOM 1203 CA LYS A 77 7.020 -3.334 -4.162 1.00 0.00 C ATOM 1204 C LYS A 77 6.112 -3.904 -5.271 1.00 0.00 C ATOM 1205 O LYS A 77 6.368 -5.006 -5.752 1.00 0.00 O ATOM 1206 CB LYS A 77 6.298 -3.019 -2.840 1.00 0.00 C ATOM 1207 CG LYS A 77 7.243 -2.975 -1.646 1.00 0.00 C ATOM 1208 CD LYS A 77 6.531 -2.562 -0.374 1.00 0.00 C ATOM 1209 CE LYS A 77 5.611 -3.654 0.145 1.00 0.00 C ATOM 1210 NZ LYS A 77 6.300 -4.557 1.112 1.00 0.00 N ATOM 0 H LYS A 77 7.435 -1.283 -4.381 1.00 0.00 H new ATOM 0 HA LYS A 77 7.700 -4.159 -3.949 1.00 0.00 H new ATOM 0 HB2 LYS A 77 5.788 -2.060 -2.930 1.00 0.00 H new ATOM 0 HB3 LYS A 77 5.530 -3.772 -2.662 1.00 0.00 H new ATOM 0 HG2 LYS A 77 7.696 -3.956 -1.506 1.00 0.00 H new ATOM 0 HG3 LYS A 77 8.054 -2.276 -1.851 1.00 0.00 H new ATOM 0 HD2 LYS A 77 7.268 -2.316 0.390 1.00 0.00 H new ATOM 0 HD3 LYS A 77 5.951 -1.658 -0.561 1.00 0.00 H new ATOM 0 HE2 LYS A 77 4.746 -3.199 0.628 1.00 0.00 H new ATOM 0 HE3 LYS A 77 5.236 -4.240 -0.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 5.703 -5.388 1.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 7.209 -4.866 0.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 6.470 -4.047 2.003 1.00 0.00 H new ATOM 1224 N PRO A 78 5.057 -3.193 -5.702 1.00 0.00 N ATOM 1225 CA PRO A 78 4.198 -3.629 -6.820 1.00 0.00 C ATOM 1226 C PRO A 78 4.881 -3.520 -8.190 1.00 0.00 C ATOM 1227 O PRO A 78 4.300 -2.990 -9.137 1.00 0.00 O ATOM 1228 CB PRO A 78 3.011 -2.654 -6.761 1.00 0.00 C ATOM 1229 CG PRO A 78 3.112 -1.995 -5.433 1.00 0.00 C ATOM 1230 CD PRO A 78 4.574 -1.954 -5.122 1.00 0.00 C ATOM 0 HA PRO A 78 3.930 -4.681 -6.718 1.00 0.00 H new ATOM 0 HB2 PRO A 78 3.062 -1.923 -7.568 1.00 0.00 H new ATOM 0 HB3 PRO A 78 2.063 -3.181 -6.868 1.00 0.00 H new ATOM 0 HG2 PRO A 78 2.687 -0.991 -5.459 1.00 0.00 H new ATOM 0 HG3 PRO A 78 2.564 -2.554 -4.674 1.00 0.00 H new ATOM 0 HD2 PRO A 78 5.058 -1.084 -5.565 1.00 0.00 H new ATOM 0 HD3 PRO A 78 4.759 -1.910 -4.049 1.00 0.00 H new ATOM 1238 N LYS A 79 6.112 -4.007 -8.292 1.00 0.00 N ATOM 1239 CA LYS A 79 6.838 -3.972 -9.558 1.00 0.00 C ATOM 1240 C LYS A 79 7.122 -5.379 -10.080 1.00 0.00 C ATOM 1241 O LYS A 79 7.479 -5.557 -11.247 1.00 0.00 O ATOM 1242 CB LYS A 79 8.146 -3.192 -9.417 1.00 0.00 C ATOM 1243 CG LYS A 79 7.947 -1.751 -8.979 1.00 0.00 C ATOM 1244 CD LYS A 79 9.126 -0.880 -9.374 1.00 0.00 C ATOM 1245 CE LYS A 79 9.280 -0.819 -10.886 1.00 0.00 C ATOM 1246 NZ LYS A 79 10.336 0.137 -11.306 1.00 0.00 N ATOM 0 H LYS A 79 6.627 -4.429 -7.519 1.00 0.00 H new ATOM 0 HA LYS A 79 6.201 -3.462 -10.281 1.00 0.00 H new ATOM 0 HB2 LYS A 79 8.786 -3.698 -8.694 1.00 0.00 H new ATOM 0 HB3 LYS A 79 8.672 -3.204 -10.372 1.00 0.00 H new ATOM 0 HG2 LYS A 79 7.035 -1.356 -9.428 1.00 0.00 H new ATOM 0 HG3 LYS A 79 7.812 -1.714 -7.898 1.00 0.00 H new ATOM 0 HD2 LYS A 79 8.987 0.126 -8.979 1.00 0.00 H new ATOM 0 HD3 LYS A 79 10.039 -1.275 -8.928 1.00 0.00 H new ATOM 0 HE2 LYS A 79 9.520 -1.812 -11.265 1.00 0.00 H new ATOM 0 HE3 LYS A 79 8.330 -0.528 -11.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 10.405 0.145 -12.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 10.095 1.091 -10.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 11.249 -0.154 -10.901 1.00 0.00 H new ATOM 1260 N GLY A 80 6.978 -6.376 -9.219 1.00 0.00 N ATOM 1261 CA GLY A 80 7.124 -7.750 -9.659 1.00 0.00 C ATOM 1262 C GLY A 80 8.270 -8.469 -8.980 1.00 0.00 C ATOM 1263 O GLY A 80 8.084 -9.556 -8.426 1.00 0.00 O ATOM 0 H GLY A 80 6.764 -6.260 -8.228 1.00 0.00 H new ATOM 0 HA2 GLY A 80 6.197 -8.289 -9.463 1.00 0.00 H new ATOM 0 HA3 GLY A 80 7.280 -7.766 -10.738 1.00 0.00 H new ATOM 1267 N ALA A 81 9.455 -7.871 -9.028 1.00 0.00 N ATOM 1268 CA ALA A 81 10.634 -8.460 -8.405 1.00 0.00 C ATOM 1269 C ALA A 81 10.433 -8.582 -6.900 1.00 0.00 C ATOM 1270 O ALA A 81 9.684 -7.805 -6.304 1.00 0.00 O ATOM 1271 CB ALA A 81 11.872 -7.630 -8.714 1.00 0.00 C ATOM 0 H ALA A 81 9.625 -6.979 -9.492 1.00 0.00 H new ATOM 0 HA ALA A 81 10.780 -9.459 -8.816 1.00 0.00 H new ATOM 0 HB1 ALA A 81 12.742 -8.085 -8.241 1.00 0.00 H new ATOM 0 HB2 ALA A 81 12.024 -7.591 -9.793 1.00 0.00 H new ATOM 0 HB3 ALA A 81 11.737 -6.619 -8.330 1.00 0.00 H new ATOM 1277 N PHE A 82 11.091 -9.551 -6.280 1.00 0.00 N ATOM 1278 CA PHE A 82 10.900 -9.781 -4.859 1.00 0.00 C ATOM 1279 C PHE A 82 12.172 -9.477 -4.072 1.00 0.00 C ATOM 1280 O PHE A 82 12.886 -10.379 -3.628 1.00 0.00 O ATOM 1281 CB PHE A 82 10.432 -11.217 -4.599 1.00 0.00 C ATOM 1282 CG PHE A 82 9.937 -11.435 -3.199 1.00 0.00 C ATOM 1283 CD1 PHE A 82 8.738 -10.878 -2.783 1.00 0.00 C ATOM 1284 CD2 PHE A 82 10.669 -12.189 -2.298 1.00 0.00 C ATOM 1285 CE1 PHE A 82 8.280 -11.068 -1.496 1.00 0.00 C ATOM 1286 CE2 PHE A 82 10.218 -12.381 -1.008 1.00 0.00 C ATOM 1287 CZ PHE A 82 9.021 -11.821 -0.605 1.00 0.00 C ATOM 0 H PHE A 82 11.753 -10.182 -6.733 1.00 0.00 H new ATOM 0 HA PHE A 82 10.123 -9.099 -4.514 1.00 0.00 H new ATOM 0 HB2 PHE A 82 9.636 -11.465 -5.301 1.00 0.00 H new ATOM 0 HB3 PHE A 82 11.257 -11.902 -4.796 1.00 0.00 H new ATOM 0 HD1 PHE A 82 8.155 -10.288 -3.475 1.00 0.00 H new ATOM 0 HD2 PHE A 82 11.604 -12.632 -2.608 1.00 0.00 H new ATOM 0 HE1 PHE A 82 7.344 -10.629 -1.185 1.00 0.00 H new ATOM 0 HE2 PHE A 82 10.800 -12.969 -0.314 1.00 0.00 H new ATOM 0 HZ PHE A 82 8.665 -11.971 0.404 1.00 0.00 H new ATOM 1297 N LYS A 83 12.466 -8.198 -3.928 1.00 0.00 N ATOM 1298 CA LYS A 83 13.527 -7.753 -3.038 1.00 0.00 C ATOM 1299 C LYS A 83 12.929 -6.823 -1.996 1.00 0.00 C ATOM 1300 O LYS A 83 13.604 -6.384 -1.065 1.00 0.00 O ATOM 1301 CB LYS A 83 14.613 -7.007 -3.809 1.00 0.00 C ATOM 1302 CG LYS A 83 14.193 -5.603 -4.203 1.00 0.00 C ATOM 1303 CD LYS A 83 15.356 -4.796 -4.757 1.00 0.00 C ATOM 1304 CE LYS A 83 16.416 -4.534 -3.692 1.00 0.00 C ATOM 1305 NZ LYS A 83 15.849 -3.824 -2.513 1.00 0.00 N ATOM 0 H LYS A 83 11.983 -7.444 -4.418 1.00 0.00 H new ATOM 0 HA LYS A 83 13.979 -8.625 -2.565 1.00 0.00 H new ATOM 0 HB2 LYS A 83 15.515 -6.954 -3.199 1.00 0.00 H new ATOM 0 HB3 LYS A 83 14.868 -7.571 -4.706 1.00 0.00 H new ATOM 0 HG2 LYS A 83 13.401 -5.658 -4.950 1.00 0.00 H new ATOM 0 HG3 LYS A 83 13.778 -5.092 -3.335 1.00 0.00 H new ATOM 0 HD2 LYS A 83 15.805 -5.331 -5.594 1.00 0.00 H new ATOM 0 HD3 LYS A 83 14.988 -3.847 -5.146 1.00 0.00 H new ATOM 0 HE2 LYS A 83 16.852 -5.480 -3.372 1.00 0.00 H new ATOM 0 HE3 LYS A 83 17.223 -3.940 -4.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 16.622 -3.426 -1.943 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 15.226 -3.056 -2.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 15.302 -4.493 -1.935 1.00 0.00 H new ATOM 1319 N ALA A 84 11.659 -6.502 -2.201 1.00 0.00 N ATOM 1320 CA ALA A 84 10.938 -5.584 -1.346 1.00 0.00 C ATOM 1321 C ALA A 84 10.767 -6.153 0.048 1.00 0.00 C ATOM 1322 O ALA A 84 10.096 -7.169 0.235 1.00 0.00 O ATOM 1323 CB ALA A 84 9.584 -5.272 -1.952 1.00 0.00 C ATOM 0 H ALA A 84 11.102 -6.875 -2.970 1.00 0.00 H new ATOM 0 HA ALA A 84 11.518 -4.665 -1.265 1.00 0.00 H new ATOM 0 HB1 ALA A 84 9.046 -4.580 -1.304 1.00 0.00 H new ATOM 0 HB2 ALA A 84 9.721 -4.818 -2.933 1.00 0.00 H new ATOM 0 HB3 ALA A 84 9.011 -6.193 -2.055 1.00 0.00 H new ATOM 1329 N PHE A 85 11.374 -5.493 1.019 1.00 0.00 N ATOM 1330 CA PHE A 85 11.266 -5.921 2.399 1.00 0.00 C ATOM 1331 C PHE A 85 9.903 -5.522 2.968 1.00 0.00 C ATOM 1332 O PHE A 85 9.121 -4.835 2.295 1.00 0.00 O ATOM 1333 CB PHE A 85 12.400 -5.324 3.236 1.00 0.00 C ATOM 1334 CG PHE A 85 13.764 -5.813 2.832 1.00 0.00 C ATOM 1335 CD1 PHE A 85 14.275 -6.990 3.355 1.00 0.00 C ATOM 1336 CD2 PHE A 85 14.535 -5.096 1.929 1.00 0.00 C ATOM 1337 CE1 PHE A 85 15.527 -7.444 2.986 1.00 0.00 C ATOM 1338 CE2 PHE A 85 15.787 -5.545 1.556 1.00 0.00 C ATOM 1339 CZ PHE A 85 16.283 -6.719 2.086 1.00 0.00 C ATOM 0 H PHE A 85 11.945 -4.660 0.876 1.00 0.00 H new ATOM 0 HA PHE A 85 11.353 -7.007 2.438 1.00 0.00 H new ATOM 0 HB2 PHE A 85 12.372 -4.238 3.150 1.00 0.00 H new ATOM 0 HB3 PHE A 85 12.232 -5.565 4.286 1.00 0.00 H new ATOM 0 HD1 PHE A 85 13.688 -7.560 4.060 1.00 0.00 H new ATOM 0 HD2 PHE A 85 14.152 -4.176 1.513 1.00 0.00 H new ATOM 0 HE1 PHE A 85 15.913 -8.363 3.400 1.00 0.00 H new ATOM 0 HE2 PHE A 85 16.377 -4.978 0.851 1.00 0.00 H new ATOM 0 HZ PHE A 85 17.262 -7.071 1.797 1.00 0.00 H new ATOM 1349 N THR A 86 9.609 -5.946 4.193 1.00 0.00 N ATOM 1350 CA THR A 86 8.320 -5.655 4.800 1.00 0.00 C ATOM 1351 C THR A 86 8.352 -5.818 6.324 1.00 0.00 C ATOM 1352 O THR A 86 8.421 -6.933 6.848 1.00 0.00 O ATOM 1353 CB THR A 86 7.195 -6.532 4.183 1.00 0.00 C ATOM 1354 OG1 THR A 86 5.946 -6.292 4.847 1.00 0.00 O ATOM 1355 CG2 THR A 86 7.534 -8.021 4.236 1.00 0.00 C ATOM 0 H THR A 86 10.243 -6.489 4.780 1.00 0.00 H new ATOM 0 HA THR A 86 8.100 -4.610 4.584 1.00 0.00 H new ATOM 0 HB THR A 86 7.107 -6.247 3.135 1.00 0.00 H new ATOM 0 HG1 THR A 86 5.523 -5.492 4.470 1.00 0.00 H new ATOM 0 HG21 THR A 86 6.720 -8.595 3.794 1.00 0.00 H new ATOM 0 HG22 THR A 86 8.452 -8.205 3.679 1.00 0.00 H new ATOM 0 HG23 THR A 86 7.672 -8.326 5.273 1.00 0.00 H new ATOM 1363 N GLY A 87 8.350 -4.686 7.025 1.00 0.00 N ATOM 1364 CA GLY A 87 8.172 -4.682 8.469 1.00 0.00 C ATOM 1365 C GLY A 87 9.398 -5.128 9.241 1.00 0.00 C ATOM 1366 O GLY A 87 10.121 -4.304 9.803 1.00 0.00 O ATOM 0 H GLY A 87 8.470 -3.761 6.613 1.00 0.00 H new ATOM 0 HA2 GLY A 87 7.900 -3.676 8.789 1.00 0.00 H new ATOM 0 HA3 GLY A 87 7.337 -5.335 8.724 1.00 0.00 H new ATOM 1370 N GLU A 88 9.629 -6.433 9.270 1.00 0.00 N ATOM 1371 CA GLU A 88 10.711 -7.014 10.053 1.00 0.00 C ATOM 1372 C GLU A 88 12.058 -6.809 9.367 1.00 0.00 C ATOM 1373 O GLU A 88 12.646 -7.746 8.824 1.00 0.00 O ATOM 1374 CB GLU A 88 10.457 -8.507 10.275 1.00 0.00 C ATOM 1375 CG GLU A 88 9.155 -8.809 10.999 1.00 0.00 C ATOM 1376 CD GLU A 88 9.101 -8.208 12.389 1.00 0.00 C ATOM 1377 OE1 GLU A 88 9.868 -8.662 13.264 1.00 0.00 O ATOM 1378 OE2 GLU A 88 8.288 -7.287 12.614 1.00 0.00 O ATOM 0 H GLU A 88 9.075 -7.116 8.754 1.00 0.00 H new ATOM 0 HA GLU A 88 10.741 -6.508 11.018 1.00 0.00 H new ATOM 0 HB2 GLU A 88 10.450 -9.012 9.309 1.00 0.00 H new ATOM 0 HB3 GLU A 88 11.285 -8.925 10.847 1.00 0.00 H new ATOM 0 HG2 GLU A 88 8.321 -8.427 10.411 1.00 0.00 H new ATOM 0 HG3 GLU A 88 9.027 -9.889 11.070 1.00 0.00 H new ATOM 1385 N GLY A 89 12.540 -5.576 9.397 1.00 0.00 N ATOM 1386 CA GLY A 89 13.810 -5.257 8.783 1.00 0.00 C ATOM 1387 C GLY A 89 13.639 -4.724 7.378 1.00 0.00 C ATOM 1388 O GLY A 89 13.382 -5.485 6.447 1.00 0.00 O ATOM 0 H GLY A 89 12.070 -4.786 9.839 1.00 0.00 H new ATOM 0 HA2 GLY A 89 14.332 -4.518 9.391 1.00 0.00 H new ATOM 0 HA3 GLY A 89 14.436 -6.149 8.759 1.00 0.00 H new ATOM 1392 N GLN A 90 13.770 -3.414 7.224 1.00 0.00 N ATOM 1393 CA GLN A 90 13.618 -2.779 5.922 1.00 0.00 C ATOM 1394 C GLN A 90 14.974 -2.659 5.238 1.00 0.00 C ATOM 1395 O GLN A 90 15.080 -2.774 4.016 1.00 0.00 O ATOM 1396 CB GLN A 90 12.975 -1.396 6.076 1.00 0.00 C ATOM 1397 CG GLN A 90 11.623 -1.418 6.782 1.00 0.00 C ATOM 1398 CD GLN A 90 10.532 -2.106 5.978 1.00 0.00 C ATOM 1399 OE1 GLN A 90 10.789 -3.012 5.187 1.00 0.00 O ATOM 1400 NE2 GLN A 90 9.297 -1.681 6.175 1.00 0.00 N ATOM 0 H GLN A 90 13.981 -2.769 7.985 1.00 0.00 H new ATOM 0 HA GLN A 90 12.966 -3.397 5.304 1.00 0.00 H new ATOM 0 HB2 GLN A 90 13.654 -0.750 6.633 1.00 0.00 H new ATOM 0 HB3 GLN A 90 12.851 -0.952 5.088 1.00 0.00 H new ATOM 0 HG2 GLN A 90 11.731 -1.924 7.741 1.00 0.00 H new ATOM 0 HG3 GLN A 90 11.316 -0.394 6.995 1.00 0.00 H new ATOM 0 HE21 GLN A 90 9.117 -0.927 6.838 1.00 0.00 H new ATOM 0 HE22 GLN A 90 8.524 -2.106 5.664 1.00 0.00 H new ATOM 1409 N LYS A 91 16.007 -2.422 6.041 1.00 0.00 N ATOM 1410 CA LYS A 91 17.375 -2.358 5.545 1.00 0.00 C ATOM 1411 C LYS A 91 18.364 -2.356 6.700 1.00 0.00 C ATOM 1412 O LYS A 91 18.541 -1.350 7.387 1.00 0.00 O ATOM 1413 CB LYS A 91 17.586 -1.118 4.676 1.00 0.00 C ATOM 1414 CG LYS A 91 19.020 -0.940 4.202 1.00 0.00 C ATOM 1415 CD LYS A 91 19.175 0.306 3.347 1.00 0.00 C ATOM 1416 CE LYS A 91 18.311 0.234 2.100 1.00 0.00 C ATOM 1417 NZ LYS A 91 18.421 1.460 1.269 1.00 0.00 N ATOM 0 H LYS A 91 15.919 -2.270 7.046 1.00 0.00 H new ATOM 0 HA LYS A 91 17.549 -3.243 4.933 1.00 0.00 H new ATOM 0 HB2 LYS A 91 16.930 -1.178 3.807 1.00 0.00 H new ATOM 0 HB3 LYS A 91 17.287 -0.235 5.240 1.00 0.00 H new ATOM 0 HG2 LYS A 91 19.684 -0.875 5.064 1.00 0.00 H new ATOM 0 HG3 LYS A 91 19.326 -1.815 3.629 1.00 0.00 H new ATOM 0 HD2 LYS A 91 18.902 1.185 3.930 1.00 0.00 H new ATOM 0 HD3 LYS A 91 20.220 0.425 3.061 1.00 0.00 H new ATOM 0 HE2 LYS A 91 18.604 -0.632 1.507 1.00 0.00 H new ATOM 0 HE3 LYS A 91 17.271 0.085 2.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 17.673 1.458 0.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 18.316 2.300 1.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 19.351 1.482 0.805 1.00 0.00 H new ATOM 1431 N LEU A 92 18.991 -3.495 6.918 1.00 0.00 N ATOM 1432 CA LEU A 92 20.033 -3.614 7.921 1.00 0.00 C ATOM 1433 C LEU A 92 21.363 -3.919 7.242 1.00 0.00 C ATOM 1434 O LEU A 92 22.434 -3.629 7.776 1.00 0.00 O ATOM 1435 CB LEU A 92 19.678 -4.717 8.924 1.00 0.00 C ATOM 1436 CG LEU A 92 20.640 -4.861 10.107 1.00 0.00 C ATOM 1437 CD1 LEU A 92 20.651 -3.592 10.948 1.00 0.00 C ATOM 1438 CD2 LEU A 92 20.259 -6.063 10.958 1.00 0.00 C ATOM 0 H LEU A 92 18.796 -4.358 6.410 1.00 0.00 H new ATOM 0 HA LEU A 92 20.120 -2.672 8.463 1.00 0.00 H new ATOM 0 HB2 LEU A 92 18.678 -4.524 9.312 1.00 0.00 H new ATOM 0 HB3 LEU A 92 19.636 -5.668 8.393 1.00 0.00 H new ATOM 0 HG LEU A 92 21.645 -5.019 9.716 1.00 0.00 H new ATOM 0 HD11 LEU A 92 21.341 -3.715 11.783 1.00 0.00 H new ATOM 0 HD12 LEU A 92 20.972 -2.751 10.333 1.00 0.00 H new ATOM 0 HD13 LEU A 92 19.648 -3.400 11.330 1.00 0.00 H new ATOM 0 HD21 LEU A 92 20.952 -6.151 11.794 1.00 0.00 H new ATOM 0 HD22 LEU A 92 19.246 -5.933 11.339 1.00 0.00 H new ATOM 0 HD23 LEU A 92 20.305 -6.968 10.352 1.00 0.00 H new ATOM 1450 N GLY A 93 21.277 -4.484 6.044 1.00 0.00 N ATOM 1451 CA GLY A 93 22.467 -4.862 5.310 1.00 0.00 C ATOM 1452 C GLY A 93 22.132 -5.705 4.100 1.00 0.00 C ATOM 1453 O GLY A 93 21.415 -6.698 4.209 1.00 0.00 O ATOM 0 H GLY A 93 20.399 -4.688 5.567 1.00 0.00 H new ATOM 0 HA2 GLY A 93 23.000 -3.965 4.993 1.00 0.00 H new ATOM 0 HA3 GLY A 93 23.138 -5.416 5.966 1.00 0.00 H new ATOM 1457 N SER A 94 22.652 -5.318 2.947 1.00 0.00 N ATOM 1458 CA SER A 94 22.327 -5.990 1.702 1.00 0.00 C ATOM 1459 C SER A 94 23.466 -6.914 1.280 1.00 0.00 C ATOM 1460 O SER A 94 23.759 -7.055 0.092 1.00 0.00 O ATOM 1461 CB SER A 94 22.039 -4.952 0.610 1.00 0.00 C ATOM 1462 OG SER A 94 21.571 -5.567 -0.579 1.00 0.00 O ATOM 0 H SER A 94 23.303 -4.539 2.848 1.00 0.00 H new ATOM 0 HA SER A 94 21.435 -6.599 1.851 1.00 0.00 H new ATOM 0 HB2 SER A 94 21.296 -4.240 0.970 1.00 0.00 H new ATOM 0 HB3 SER A 94 22.946 -4.386 0.396 1.00 0.00 H new ATOM 0 HG SER A 94 22.204 -6.260 -0.860 1.00 0.00 H new ATOM 1468 N THR A 95 24.104 -7.542 2.259 1.00 0.00 N ATOM 1469 CA THR A 95 25.189 -8.475 1.990 1.00 0.00 C ATOM 1470 C THR A 95 24.684 -9.675 1.192 1.00 0.00 C ATOM 1471 O THR A 95 25.402 -10.236 0.366 1.00 0.00 O ATOM 1472 CB THR A 95 25.840 -8.942 3.303 1.00 0.00 C ATOM 1473 OG1 THR A 95 24.850 -9.000 4.337 1.00 0.00 O ATOM 1474 CG2 THR A 95 26.958 -8.000 3.718 1.00 0.00 C ATOM 0 H THR A 95 23.888 -7.421 3.249 1.00 0.00 H new ATOM 0 HA THR A 95 25.942 -7.958 1.395 1.00 0.00 H new ATOM 0 HB THR A 95 26.265 -9.933 3.145 1.00 0.00 H new ATOM 0 HG1 THR A 95 25.266 -9.299 5.172 1.00 0.00 H new ATOM 0 HG21 THR A 95 27.403 -8.351 4.649 1.00 0.00 H new ATOM 0 HG22 THR A 95 27.720 -7.974 2.939 1.00 0.00 H new ATOM 0 HG23 THR A 95 26.554 -6.998 3.864 1.00 0.00 H new ATOM 1482 N ALA A 96 23.440 -10.050 1.448 1.00 0.00 N ATOM 1483 CA ALA A 96 22.762 -11.070 0.666 1.00 0.00 C ATOM 1484 C ALA A 96 21.456 -10.498 0.123 1.00 0.00 C ATOM 1485 O ALA A 96 20.443 -10.468 0.821 1.00 0.00 O ATOM 1486 CB ALA A 96 22.501 -12.303 1.518 1.00 0.00 C ATOM 0 H ALA A 96 22.875 -9.657 2.201 1.00 0.00 H new ATOM 0 HA ALA A 96 23.394 -11.370 -0.170 1.00 0.00 H new ATOM 0 HB1 ALA A 96 21.993 -13.058 0.919 1.00 0.00 H new ATOM 0 HB2 ALA A 96 23.449 -12.703 1.879 1.00 0.00 H new ATOM 0 HB3 ALA A 96 21.875 -12.032 2.368 1.00 0.00 H new ATOM 1492 N PRO A 97 21.487 -10.008 -1.133 1.00 0.00 N ATOM 1493 CA PRO A 97 20.341 -9.347 -1.772 1.00 0.00 C ATOM 1494 C PRO A 97 19.090 -10.219 -1.791 1.00 0.00 C ATOM 1495 O PRO A 97 18.040 -9.808 -1.297 1.00 0.00 O ATOM 1496 CB PRO A 97 20.829 -9.073 -3.200 1.00 0.00 C ATOM 1497 CG PRO A 97 22.314 -9.060 -3.098 1.00 0.00 C ATOM 1498 CD PRO A 97 22.658 -10.058 -2.027 1.00 0.00 C ATOM 0 HA PRO A 97 20.045 -8.449 -1.230 1.00 0.00 H new ATOM 0 HB2 PRO A 97 20.487 -9.844 -3.890 1.00 0.00 H new ATOM 0 HB3 PRO A 97 20.450 -8.121 -3.572 1.00 0.00 H new ATOM 0 HG2 PRO A 97 22.774 -9.331 -4.048 1.00 0.00 H new ATOM 0 HG3 PRO A 97 22.680 -8.066 -2.839 1.00 0.00 H new ATOM 0 HD2 PRO A 97 22.808 -11.056 -2.439 1.00 0.00 H new ATOM 0 HD3 PRO A 97 23.576 -9.788 -1.504 1.00 0.00 H new ATOM 1506 N GLN A 98 19.207 -11.412 -2.370 1.00 0.00 N ATOM 1507 CA GLN A 98 18.101 -12.365 -2.413 1.00 0.00 C ATOM 1508 C GLN A 98 18.523 -13.628 -3.149 1.00 0.00 C ATOM 1509 O GLN A 98 18.910 -14.619 -2.532 1.00 0.00 O ATOM 1510 CB GLN A 98 16.866 -11.766 -3.100 1.00 0.00 C ATOM 1511 CG GLN A 98 15.645 -12.670 -3.049 1.00 0.00 C ATOM 1512 CD GLN A 98 15.059 -12.771 -1.658 1.00 0.00 C ATOM 1513 OE1 GLN A 98 15.481 -13.601 -0.852 1.00 0.00 O ATOM 1514 NE2 GLN A 98 14.067 -11.943 -1.373 1.00 0.00 N ATOM 0 H GLN A 98 20.062 -11.743 -2.818 1.00 0.00 H new ATOM 0 HA GLN A 98 17.838 -12.608 -1.383 1.00 0.00 H new ATOM 0 HB2 GLN A 98 16.623 -10.814 -2.628 1.00 0.00 H new ATOM 0 HB3 GLN A 98 17.107 -11.553 -4.141 1.00 0.00 H new ATOM 0 HG2 GLN A 98 14.886 -12.290 -3.733 1.00 0.00 H new ATOM 0 HG3 GLN A 98 15.919 -13.666 -3.398 1.00 0.00 H new ATOM 0 HE21 GLN A 98 13.748 -11.270 -2.070 1.00 0.00 H new ATOM 0 HE22 GLN A 98 13.621 -11.977 -0.456 1.00 0.00 H new ATOM 1523 N VAL A 99 18.460 -13.569 -4.473 1.00 0.00 N ATOM 1524 CA VAL A 99 18.802 -14.706 -5.315 1.00 0.00 C ATOM 1525 C VAL A 99 19.045 -14.246 -6.754 1.00 0.00 C ATOM 1526 O VAL A 99 19.831 -14.853 -7.481 1.00 0.00 O ATOM 1527 CB VAL A 99 17.698 -15.796 -5.279 1.00 0.00 C ATOM 1528 CG1 VAL A 99 16.366 -15.248 -5.772 1.00 0.00 C ATOM 1529 CG2 VAL A 99 18.108 -17.019 -6.090 1.00 0.00 C ATOM 0 H VAL A 99 18.173 -12.738 -4.990 1.00 0.00 H new ATOM 0 HA VAL A 99 19.718 -15.147 -4.921 1.00 0.00 H new ATOM 0 HB VAL A 99 17.573 -16.103 -4.240 1.00 0.00 H new ATOM 0 HG11 VAL A 99 15.613 -16.035 -5.735 1.00 0.00 H new ATOM 0 HG12 VAL A 99 16.056 -14.419 -5.136 1.00 0.00 H new ATOM 0 HG13 VAL A 99 16.474 -14.897 -6.798 1.00 0.00 H new ATOM 0 HG21 VAL A 99 17.316 -17.766 -6.047 1.00 0.00 H new ATOM 0 HG22 VAL A 99 18.277 -16.728 -7.127 1.00 0.00 H new ATOM 0 HG23 VAL A 99 19.025 -17.439 -5.677 1.00 0.00 H new ATOM 1539 N LEU A 100 18.365 -13.166 -7.152 1.00 0.00 N ATOM 1540 CA LEU A 100 18.554 -12.568 -8.474 1.00 0.00 C ATOM 1541 C LEU A 100 20.025 -12.232 -8.709 1.00 0.00 C ATOM 1542 O LEU A 100 20.729 -12.929 -9.444 1.00 0.00 O ATOM 1543 CB LEU A 100 17.709 -11.303 -8.602 1.00 0.00 C ATOM 1544 CG LEU A 100 17.586 -10.764 -10.020 1.00 0.00 C ATOM 1545 CD1 LEU A 100 16.578 -11.576 -10.812 1.00 0.00 C ATOM 1546 CD2 LEU A 100 17.206 -9.293 -10.004 1.00 0.00 C ATOM 0 H LEU A 100 17.676 -12.687 -6.573 1.00 0.00 H new ATOM 0 HA LEU A 100 18.237 -13.291 -9.226 1.00 0.00 H new ATOM 0 HB2 LEU A 100 16.710 -11.509 -8.218 1.00 0.00 H new ATOM 0 HB3 LEU A 100 18.141 -10.528 -7.969 1.00 0.00 H new ATOM 0 HG LEU A 100 18.556 -10.856 -10.509 1.00 0.00 H new ATOM 0 HD11 LEU A 100 16.503 -11.176 -11.823 1.00 0.00 H new ATOM 0 HD12 LEU A 100 16.902 -12.616 -10.856 1.00 0.00 H new ATOM 0 HD13 LEU A 100 15.604 -11.520 -10.327 1.00 0.00 H new ATOM 0 HD21 LEU A 100 17.123 -8.927 -11.028 1.00 0.00 H new ATOM 0 HD22 LEU A 100 16.249 -9.170 -9.496 1.00 0.00 H new ATOM 0 HD23 LEU A 100 17.972 -8.725 -9.477 1.00 0.00 H new ATOM 1558 N SER A 101 20.488 -11.170 -8.071 1.00 0.00 N ATOM 1559 CA SER A 101 21.885 -10.784 -8.148 1.00 0.00 C ATOM 1560 C SER A 101 22.646 -11.382 -6.972 1.00 0.00 C ATOM 1561 O SER A 101 23.234 -10.667 -6.164 1.00 0.00 O ATOM 1562 CB SER A 101 22.001 -9.260 -8.143 1.00 0.00 C ATOM 1563 OG SER A 101 21.149 -8.685 -9.121 1.00 0.00 O ATOM 0 H SER A 101 19.913 -10.558 -7.492 1.00 0.00 H new ATOM 0 HA SER A 101 22.318 -11.162 -9.074 1.00 0.00 H new ATOM 0 HB2 SER A 101 21.742 -8.875 -7.157 1.00 0.00 H new ATOM 0 HB3 SER A 101 23.033 -8.969 -8.338 1.00 0.00 H new ATOM 0 HG SER A 101 21.238 -7.709 -9.099 1.00 0.00 H new ATOM 1569 N THR A 102 22.591 -12.699 -6.857 1.00 0.00 N ATOM 1570 CA THR A 102 23.238 -13.397 -5.765 1.00 0.00 C ATOM 1571 C THR A 102 23.763 -14.747 -6.243 1.00 0.00 C ATOM 1572 O THR A 102 24.992 -14.878 -6.425 1.00 0.00 O ATOM 1573 CB THR A 102 22.263 -13.593 -4.587 1.00 0.00 C ATOM 1574 OG1 THR A 102 21.625 -12.341 -4.276 1.00 0.00 O ATOM 1575 CG2 THR A 102 22.996 -14.108 -3.360 1.00 0.00 C ATOM 1576 OXT THR A 102 22.942 -15.652 -6.488 1.00 0.00 O ATOM 0 H THR A 102 22.101 -13.307 -7.513 1.00 0.00 H new ATOM 0 HA THR A 102 24.076 -12.792 -5.419 1.00 0.00 H new ATOM 0 HB THR A 102 21.513 -14.328 -4.877 1.00 0.00 H new ATOM 0 HG1 THR A 102 20.730 -12.322 -4.674 1.00 0.00 H new ATOM 0 HG21 THR A 102 22.288 -14.239 -2.542 1.00 0.00 H new ATOM 0 HG22 THR A 102 23.464 -15.065 -3.591 1.00 0.00 H new ATOM 0 HG23 THR A 102 23.762 -13.391 -3.066 1.00 0.00 H new TER 1584 THR A 102