USER MOD reduce.3.24.130724 H: found=0, std=0, add=1043, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 1046 hydrogens (13 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 NoAdj-H: B 204 PTR HN2 : B 204 PTR N : B 203 GLU C :(H bumps) USER MOD NoAdj-H: B 204 PTR H : B 204 PTR N : B 203 GLU C :(H bumps) USER MOD Set 1.1: A 73 THR OG1 : rot 18:sc= 1.28 USER MOD Set 1.2: A 92 SER OG : rot 170:sc= -0.0364 USER MOD Set 1.3: A 98 SER OG : rot 143:sc= -0.0849 USER MOD Set 2.1: A 87 ASN : amide:sc= -1.5 K(o=-6.3,f=-8.4) USER MOD Set 2.2: A 108 MET CE :methyl -130:sc= -4.8 (180deg=-13.8!) USER MOD Set 3.1: A 79 SER OG : rot 92:sc= -1.24 USER MOD Set 3.2: A 111 GLN : amide:sc= -8.6! C(o=-9.8!,f=-19!) USER MOD Set 4.1: A 69 THR OG1 : rot 95:sc= 0.744 USER MOD Set 4.2: A 70 GLN : amide:sc= -1.77 K(o=-1,f=-15!) USER MOD Set 5.1: A 65 ASN : amide:sc= -0.454 K(o=-2.8,f=-3.4) USER MOD Set 5.2: A 123 GLN : amide:sc= -2.32 K(o=-2.8,f=-4.7!) USER MOD Set 6.1: A 40 GLN : amide:sc= -2.02 X(o=-9.5,f=-9.9) USER MOD Set 6.2: A 83 HIS : no HD1:sc= -3.13 X(o=-9.5,f=-9.9) USER MOD Set 6.3: A 84 ASN : amide:sc= -4.37 K(o=-9.5,f=-18!) USER MOD Set 7.1: A 34 ASN : amide:sc= -2.33 K(o=-2.1,f=-6.3!) USER MOD Set 7.2: A 37 THR OG1 : rot 180:sc= 0.234 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 142:sc= -1.86! (180deg=-2.68!) USER MOD Single : A 2 ASN :FLIP amide:sc= -8.46! C(o=-12!,f=-8.5!) USER MOD Single : A 4 SER OG : rot 29:sc= 0.601 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 HIS : no HD1:sc= -4.66! C(o=-4.7!,f=-4.8!) USER MOD Single : A 11 GLN : amide:sc= -9.86! C(o=-9.9!,f=-14!) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 18 GLN : amide:sc= -2.29 K(o=-2.3,f=-8.6!) USER MOD Single : A 20 SER OG : rot 21:sc= -3.37! USER MOD Single : A 23 CYS SG : rot 140:sc= -1.93 USER MOD Single : A 24 THR OG1 : rot 130:sc= -3.76! USER MOD Single : A 26 LYS NZ :NH3+ -159:sc= -0.239 (180deg=-1.14!) USER MOD Single : A 30 ASN :FLIP amide:sc= -2.44! C(o=-4.4!,f=-2.4!) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 THR OG1 : rot 180:sc= -0.0939 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot -121:sc= -2.72! USER MOD Single : A 53 LYS NZ :NH3+ 165:sc= -1.59 (180deg=-2.3) USER MOD Single : A 57 GLN : amide:sc= -0.165 X(o=-0.17,f=0) USER MOD Single : A 58 THR OG1 : rot 94:sc= 0.96 USER MOD Single : A 61 SER OG : rot 93:sc= 1.14 USER MOD Single : A 62 HIS : no HE2:sc= -16.9! C(o=-17!,f=-17!) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 GLN : amide:sc= -0.123 X(o=-0.12,f=0) USER MOD Single : A 80 THR OG1 : rot -163:sc= 0.75 USER MOD Single : A 82 LYS NZ :NH3+ -116:sc= -0.0198 (180deg=-3.82!) USER MOD Single : A 86 ASN : amide:sc= 0.844 K(o=0.84,f=-0.26) USER MOD Single : A 88 TYR OH : rot 102:sc= -2.9! USER MOD Single : A 95 ASN : amide:sc= -0.454 X(o=-0.45,f=-0.12) USER MOD Single : A 97 ASN : amide:sc= -5.67! C(o=-5.7!,f=-12!) USER MOD Single : A 102 SER OG : rot 180:sc= -1.51! USER MOD Single : A 105 SER OG : rot 77:sc= 0.934 USER MOD Single : A 107 GLN :FLIP amide:sc= -9.74! C(o=-11!,f=-9.7!) USER MOD Single : A 109 THR OG1 : rot -88:sc= 1.82 USER MOD Single : A 114 LYS NZ :NH3+ 160:sc= -9.69! (180deg=-12.6!) USER MOD Single : A 125 SER OG : rot 170:sc= -1.8 USER MOD Single : A 130 SER OG : rot 31:sc= 0.235 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -5.990 11.053 -10.746 1.00 0.00 N ATOM 2 CA MET A 1 -5.376 9.748 -10.387 1.00 0.00 C ATOM 3 C MET A 1 -4.475 9.881 -9.164 1.00 0.00 C ATOM 4 O MET A 1 -4.431 10.930 -8.523 1.00 0.00 O ATOM 5 CB MET A 1 -4.570 9.243 -11.584 1.00 0.00 C ATOM 6 CG MET A 1 -3.426 10.165 -11.980 1.00 0.00 C ATOM 7 SD MET A 1 -1.829 9.328 -11.998 1.00 0.00 S ATOM 8 CE MET A 1 -1.263 9.714 -13.653 1.00 0.00 C ATOM 0 H1 MET A 1 -6.030 11.145 -11.781 1.00 0.00 H new ATOM 0 H2 MET A 1 -6.953 11.102 -10.357 1.00 0.00 H new ATOM 0 H3 MET A 1 -5.417 11.826 -10.352 1.00 0.00 H new ATOM 0 HA MET A 1 -6.165 9.038 -10.138 1.00 0.00 H new ATOM 0 HB2 MET A 1 -4.167 8.257 -11.351 1.00 0.00 H new ATOM 0 HB3 MET A 1 -5.239 9.120 -12.436 1.00 0.00 H new ATOM 0 HG2 MET A 1 -3.625 10.580 -12.968 1.00 0.00 H new ATOM 0 HG3 MET A 1 -3.384 11.004 -11.285 1.00 0.00 H new ATOM 0 HE1 MET A 1 -0.284 9.264 -13.817 1.00 0.00 H new ATOM 0 HE2 MET A 1 -1.971 9.318 -14.381 1.00 0.00 H new ATOM 0 HE3 MET A 1 -1.190 10.795 -13.769 1.00 0.00 H new ATOM 20 N ASN A 2 -3.756 8.809 -8.848 1.00 0.00 N ATOM 21 CA ASN A 2 -2.853 8.803 -7.703 1.00 0.00 C ATOM 22 C ASN A 2 -1.812 9.910 -7.826 1.00 0.00 C ATOM 23 O ASN A 2 -1.607 10.472 -8.902 1.00 0.00 O ATOM 24 CB ASN A 2 -2.162 7.441 -7.584 1.00 0.00 C ATOM 25 CG ASN A 2 -1.158 7.378 -6.449 1.00 0.00 C ATOM 26 OD1 ASN A 2 -1.593 7.746 -5.253 1.00 0.00 O flip ATOM 27 ND2 ASN A 2 -0.002 7.003 -6.648 1.00 0.00 N flip ATOM 0 H ASN A 2 -3.781 7.933 -9.369 1.00 0.00 H new ATOM 0 HA ASN A 2 -3.441 8.984 -6.803 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -2.917 6.669 -7.436 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -1.655 7.215 -8.522 1.00 0.00 H new ATOM 0 HD21 ASN A 2 0.291 6.728 -7.586 1.00 0.00 H new ATOM 0 HD22 ASN A 2 0.663 6.967 -5.875 1.00 0.00 H new ATOM 34 N LEU A 3 -1.154 10.208 -6.715 1.00 0.00 N ATOM 35 CA LEU A 3 -0.123 11.239 -6.683 1.00 0.00 C ATOM 36 C LEU A 3 1.188 10.687 -7.236 1.00 0.00 C ATOM 37 O LEU A 3 1.572 10.980 -8.368 1.00 0.00 O ATOM 38 CB LEU A 3 0.100 11.769 -5.253 1.00 0.00 C ATOM 39 CG LEU A 3 -0.941 11.372 -4.202 1.00 0.00 C ATOM 40 CD1 LEU A 3 -0.620 10.005 -3.617 1.00 0.00 C ATOM 41 CD2 LEU A 3 -0.997 12.417 -3.097 1.00 0.00 C ATOM 0 H LEU A 3 -1.316 9.749 -5.819 1.00 0.00 H new ATOM 0 HA LEU A 3 -0.462 12.068 -7.304 1.00 0.00 H new ATOM 0 HB2 LEU A 3 1.076 11.426 -4.911 1.00 0.00 H new ATOM 0 HB3 LEU A 3 0.142 12.857 -5.296 1.00 0.00 H new ATOM 0 HG LEU A 3 -1.916 11.318 -4.687 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -1.372 9.742 -2.873 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -0.621 9.260 -4.412 1.00 0.00 H new ATOM 0 HD13 LEU A 3 0.363 10.032 -3.146 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -1.741 12.124 -2.356 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -0.020 12.495 -2.620 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -1.270 13.382 -3.523 1.00 0.00 H new ATOM 53 N SER A 4 1.865 9.882 -6.424 1.00 0.00 N ATOM 54 CA SER A 4 3.129 9.273 -6.812 1.00 0.00 C ATOM 55 C SER A 4 3.638 8.377 -5.685 1.00 0.00 C ATOM 56 O SER A 4 2.844 7.845 -4.919 1.00 0.00 O ATOM 57 CB SER A 4 4.160 10.354 -7.153 1.00 0.00 C ATOM 58 OG SER A 4 5.380 9.778 -7.587 1.00 0.00 O ATOM 0 H SER A 4 1.554 9.635 -5.484 1.00 0.00 H new ATOM 0 HA SER A 4 2.972 8.662 -7.701 1.00 0.00 H new ATOM 0 HB2 SER A 4 3.764 11.005 -7.932 1.00 0.00 H new ATOM 0 HB3 SER A 4 4.340 10.978 -6.278 1.00 0.00 H new ATOM 0 HG SER A 4 5.201 8.913 -8.011 1.00 0.00 H new ATOM 64 N LEU A 5 4.953 8.205 -5.579 1.00 0.00 N ATOM 65 CA LEU A 5 5.515 7.369 -4.523 1.00 0.00 C ATOM 66 C LEU A 5 5.942 8.195 -3.333 1.00 0.00 C ATOM 67 O LEU A 5 5.416 8.049 -2.230 1.00 0.00 O ATOM 68 CB LEU A 5 6.701 6.577 -5.032 1.00 0.00 C ATOM 69 CG LEU A 5 6.390 5.698 -6.208 1.00 0.00 C ATOM 70 CD1 LEU A 5 7.652 5.268 -6.935 1.00 0.00 C ATOM 71 CD2 LEU A 5 5.575 4.492 -5.770 1.00 0.00 C ATOM 0 H LEU A 5 5.641 8.627 -6.202 1.00 0.00 H new ATOM 0 HA LEU A 5 4.730 6.681 -4.210 1.00 0.00 H new ATOM 0 HB2 LEU A 5 7.495 7.270 -5.310 1.00 0.00 H new ATOM 0 HB3 LEU A 5 7.087 5.959 -4.221 1.00 0.00 H new ATOM 0 HG LEU A 5 5.795 6.280 -6.911 1.00 0.00 H new ATOM 0 HD11 LEU A 5 7.387 4.633 -7.780 1.00 0.00 H new ATOM 0 HD12 LEU A 5 8.182 6.149 -7.296 1.00 0.00 H new ATOM 0 HD13 LEU A 5 8.294 4.713 -6.252 1.00 0.00 H new ATOM 0 HD21 LEU A 5 5.358 3.866 -6.635 1.00 0.00 H new ATOM 0 HD22 LEU A 5 6.142 3.916 -5.038 1.00 0.00 H new ATOM 0 HD23 LEU A 5 4.640 4.828 -5.322 1.00 0.00 H new ATOM 83 N SER A 6 6.931 9.039 -3.571 1.00 0.00 N ATOM 84 CA SER A 6 7.498 9.887 -2.543 1.00 0.00 C ATOM 85 C SER A 6 6.452 10.396 -1.543 1.00 0.00 C ATOM 86 O SER A 6 6.563 10.145 -0.342 1.00 0.00 O ATOM 87 CB SER A 6 8.234 11.064 -3.189 1.00 0.00 C ATOM 88 OG SER A 6 8.136 12.238 -2.399 1.00 0.00 O ATOM 0 H SER A 6 7.364 9.154 -4.488 1.00 0.00 H new ATOM 0 HA SER A 6 8.200 9.277 -1.975 1.00 0.00 H new ATOM 0 HB2 SER A 6 9.284 10.805 -3.328 1.00 0.00 H new ATOM 0 HB3 SER A 6 7.819 11.255 -4.178 1.00 0.00 H new ATOM 0 HG SER A 6 8.617 12.969 -2.839 1.00 0.00 H new ATOM 94 N ASP A 7 5.442 11.114 -2.034 1.00 0.00 N ATOM 95 CA ASP A 7 4.403 11.654 -1.159 1.00 0.00 C ATOM 96 C ASP A 7 3.478 10.550 -0.678 1.00 0.00 C ATOM 97 O ASP A 7 3.281 10.373 0.524 1.00 0.00 O ATOM 98 CB ASP A 7 3.587 12.739 -1.869 1.00 0.00 C ATOM 99 CG ASP A 7 4.400 13.525 -2.881 1.00 0.00 C ATOM 100 OD1 ASP A 7 5.412 14.139 -2.482 1.00 0.00 O ATOM 101 OD2 ASP A 7 4.025 13.526 -4.072 1.00 0.00 O ATOM 0 H ASP A 7 5.322 11.333 -3.023 1.00 0.00 H new ATOM 0 HA ASP A 7 4.900 12.102 -0.299 1.00 0.00 H new ATOM 0 HB2 ASP A 7 2.739 12.276 -2.373 1.00 0.00 H new ATOM 0 HB3 ASP A 7 3.181 13.425 -1.126 1.00 0.00 H new ATOM 106 N LEU A 8 2.918 9.803 -1.623 1.00 0.00 N ATOM 107 CA LEU A 8 2.018 8.701 -1.301 1.00 0.00 C ATOM 108 C LEU A 8 2.565 7.903 -0.126 1.00 0.00 C ATOM 109 O LEU A 8 1.878 7.683 0.872 1.00 0.00 O ATOM 110 CB LEU A 8 1.859 7.804 -2.519 1.00 0.00 C ATOM 111 CG LEU A 8 0.870 6.659 -2.364 1.00 0.00 C ATOM 112 CD1 LEU A 8 -0.508 7.193 -2.031 1.00 0.00 C ATOM 113 CD2 LEU A 8 0.836 5.830 -3.633 1.00 0.00 C ATOM 0 H LEU A 8 3.072 9.941 -2.622 1.00 0.00 H new ATOM 0 HA LEU A 8 1.044 9.102 -1.022 1.00 0.00 H new ATOM 0 HB2 LEU A 8 1.547 8.419 -3.363 1.00 0.00 H new ATOM 0 HB3 LEU A 8 2.834 7.387 -2.771 1.00 0.00 H new ATOM 0 HG LEU A 8 1.192 6.020 -1.542 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -1.204 6.361 -1.923 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -0.465 7.754 -1.097 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -0.848 7.849 -2.833 1.00 0.00 H new ATOM 0 HD21 LEU A 8 0.126 5.012 -3.514 1.00 0.00 H new ATOM 0 HD22 LEU A 8 0.530 6.458 -4.470 1.00 0.00 H new ATOM 0 HD23 LEU A 8 1.828 5.423 -3.829 1.00 0.00 H new ATOM 125 N HIS A 9 3.825 7.513 -0.243 1.00 0.00 N ATOM 126 CA HIS A 9 4.502 6.784 0.814 1.00 0.00 C ATOM 127 C HIS A 9 4.606 7.679 2.030 1.00 0.00 C ATOM 128 O HIS A 9 4.331 7.277 3.156 1.00 0.00 O ATOM 129 CB HIS A 9 5.904 6.389 0.352 1.00 0.00 C ATOM 130 CG HIS A 9 6.892 6.210 1.468 1.00 0.00 C ATOM 131 ND1 HIS A 9 7.110 5.004 2.100 1.00 0.00 N ATOM 132 CD2 HIS A 9 7.723 7.100 2.063 1.00 0.00 C ATOM 133 CE1 HIS A 9 8.032 5.160 3.035 1.00 0.00 C ATOM 134 NE2 HIS A 9 8.419 6.422 3.032 1.00 0.00 N ATOM 0 H HIS A 9 4.401 7.692 -1.066 1.00 0.00 H new ATOM 0 HA HIS A 9 3.941 5.882 1.059 1.00 0.00 H new ATOM 0 HB2 HIS A 9 5.840 5.460 -0.214 1.00 0.00 H new ATOM 0 HB3 HIS A 9 6.278 7.152 -0.330 1.00 0.00 H new ATOM 0 HD2 HIS A 9 7.819 8.148 1.820 1.00 0.00 H new ATOM 0 HE1 HIS A 9 8.405 4.386 3.690 1.00 0.00 H new ATOM 0 HE2 HIS A 9 9.122 6.828 3.650 1.00 0.00 H new ATOM 143 N ARG A 10 5.024 8.903 1.767 1.00 0.00 N ATOM 144 CA ARG A 10 5.196 9.906 2.815 1.00 0.00 C ATOM 145 C ARG A 10 3.951 10.025 3.695 1.00 0.00 C ATOM 146 O ARG A 10 4.029 9.869 4.915 1.00 0.00 O ATOM 147 CB ARG A 10 5.530 11.268 2.201 1.00 0.00 C ATOM 148 CG ARG A 10 5.873 12.332 3.229 1.00 0.00 C ATOM 149 CD ARG A 10 5.600 13.732 2.701 1.00 0.00 C ATOM 150 NE ARG A 10 6.826 14.516 2.572 1.00 0.00 N ATOM 151 CZ ARG A 10 7.698 14.374 1.576 1.00 0.00 C ATOM 152 NH1 ARG A 10 7.482 13.480 0.618 1.00 0.00 N ATOM 153 NH2 ARG A 10 8.788 15.127 1.537 1.00 0.00 N ATOM 0 H ARG A 10 5.254 9.234 0.830 1.00 0.00 H new ATOM 0 HA ARG A 10 6.024 9.580 3.445 1.00 0.00 H new ATOM 0 HB2 ARG A 10 6.370 11.152 1.516 1.00 0.00 H new ATOM 0 HB3 ARG A 10 4.681 11.608 1.608 1.00 0.00 H new ATOM 0 HG2 ARG A 10 5.290 12.164 4.135 1.00 0.00 H new ATOM 0 HG3 ARG A 10 6.924 12.246 3.506 1.00 0.00 H new ATOM 0 HD2 ARG A 10 5.109 13.664 1.730 1.00 0.00 H new ATOM 0 HD3 ARG A 10 4.911 14.245 3.372 1.00 0.00 H new ATOM 0 HE ARG A 10 7.026 15.214 3.288 1.00 0.00 H new ATOM 0 HH11 ARG A 10 6.645 12.898 0.643 1.00 0.00 H new ATOM 0 HH12 ARG A 10 8.153 13.375 -0.143 1.00 0.00 H new ATOM 0 HH21 ARG A 10 8.959 15.815 2.270 1.00 0.00 H new ATOM 0 HH22 ARG A 10 9.456 15.018 0.774 1.00 0.00 H new ATOM 167 N GLN A 11 2.806 10.316 3.079 1.00 0.00 N ATOM 168 CA GLN A 11 1.564 10.470 3.830 1.00 0.00 C ATOM 169 C GLN A 11 1.123 9.157 4.484 1.00 0.00 C ATOM 170 O GLN A 11 0.856 9.119 5.689 1.00 0.00 O ATOM 171 CB GLN A 11 0.450 11.041 2.944 1.00 0.00 C ATOM 172 CG GLN A 11 0.156 10.230 1.697 1.00 0.00 C ATOM 173 CD GLN A 11 -0.013 11.093 0.466 1.00 0.00 C ATOM 174 OE1 GLN A 11 0.902 11.234 -0.343 1.00 0.00 O ATOM 175 NE2 GLN A 11 -1.191 11.680 0.321 1.00 0.00 N ATOM 0 H GLN A 11 2.714 10.449 2.072 1.00 0.00 H new ATOM 0 HA GLN A 11 1.761 11.182 4.632 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -0.463 11.118 3.535 1.00 0.00 H new ATOM 0 HB3 GLN A 11 0.723 12.053 2.647 1.00 0.00 H new ATOM 0 HG2 GLN A 11 0.967 9.521 1.530 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -0.751 9.646 1.854 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -1.922 11.535 1.017 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -1.367 12.277 -0.487 1.00 0.00 H new ATOM 184 N VAL A 12 1.054 8.077 3.705 1.00 0.00 N ATOM 185 CA VAL A 12 0.647 6.787 4.254 1.00 0.00 C ATOM 186 C VAL A 12 1.586 6.362 5.382 1.00 0.00 C ATOM 187 O VAL A 12 1.146 5.934 6.454 1.00 0.00 O ATOM 188 CB VAL A 12 0.604 5.693 3.163 1.00 0.00 C ATOM 189 CG1 VAL A 12 2.005 5.318 2.703 1.00 0.00 C ATOM 190 CG2 VAL A 12 -0.150 4.469 3.664 1.00 0.00 C ATOM 0 H VAL A 12 1.271 8.070 2.708 1.00 0.00 H new ATOM 0 HA VAL A 12 -0.360 6.906 4.654 1.00 0.00 H new ATOM 0 HB VAL A 12 0.071 6.096 2.302 1.00 0.00 H new ATOM 0 HG11 VAL A 12 1.942 4.546 1.936 1.00 0.00 H new ATOM 0 HG12 VAL A 12 2.501 6.198 2.293 1.00 0.00 H new ATOM 0 HG13 VAL A 12 2.577 4.941 3.550 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -0.170 3.709 2.883 1.00 0.00 H new ATOM 0 HG22 VAL A 12 0.350 4.069 4.546 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -1.171 4.751 3.922 1.00 0.00 H new ATOM 200 N SER A 13 2.882 6.495 5.128 1.00 0.00 N ATOM 201 CA SER A 13 3.905 6.141 6.103 1.00 0.00 C ATOM 202 C SER A 13 3.709 6.896 7.410 1.00 0.00 C ATOM 203 O SER A 13 3.716 6.302 8.488 1.00 0.00 O ATOM 204 CB SER A 13 5.298 6.431 5.541 1.00 0.00 C ATOM 205 OG SER A 13 6.310 5.965 6.418 1.00 0.00 O ATOM 0 H SER A 13 3.252 6.849 4.246 1.00 0.00 H new ATOM 0 HA SER A 13 3.814 5.074 6.307 1.00 0.00 H new ATOM 0 HB2 SER A 13 5.408 5.953 4.568 1.00 0.00 H new ATOM 0 HB3 SER A 13 5.414 7.503 5.384 1.00 0.00 H new ATOM 0 HG SER A 13 7.191 6.161 6.035 1.00 0.00 H new ATOM 211 N ARG A 14 3.531 8.206 7.311 1.00 0.00 N ATOM 212 CA ARG A 14 3.335 9.035 8.491 1.00 0.00 C ATOM 213 C ARG A 14 2.048 8.652 9.204 1.00 0.00 C ATOM 214 O ARG A 14 1.936 8.784 10.423 1.00 0.00 O ATOM 215 CB ARG A 14 3.298 10.515 8.104 1.00 0.00 C ATOM 216 CG ARG A 14 3.810 11.442 9.194 1.00 0.00 C ATOM 217 CD ARG A 14 3.599 12.902 8.829 1.00 0.00 C ATOM 218 NE ARG A 14 4.563 13.777 9.491 1.00 0.00 N ATOM 219 CZ ARG A 14 5.814 13.954 9.072 1.00 0.00 C ATOM 220 NH1 ARG A 14 6.256 13.320 7.993 1.00 0.00 N ATOM 221 NH2 ARG A 14 6.626 14.768 9.733 1.00 0.00 N ATOM 0 H ARG A 14 3.518 8.716 6.428 1.00 0.00 H new ATOM 0 HA ARG A 14 4.173 8.869 9.168 1.00 0.00 H new ATOM 0 HB2 ARG A 14 3.895 10.662 7.204 1.00 0.00 H new ATOM 0 HB3 ARG A 14 2.273 10.791 7.855 1.00 0.00 H new ATOM 0 HG2 ARG A 14 3.297 11.222 10.130 1.00 0.00 H new ATOM 0 HG3 ARG A 14 4.871 11.257 9.361 1.00 0.00 H new ATOM 0 HD2 ARG A 14 3.683 13.021 7.749 1.00 0.00 H new ATOM 0 HD3 ARG A 14 2.588 13.202 9.105 1.00 0.00 H new ATOM 0 HE ARG A 14 4.260 14.282 10.324 1.00 0.00 H new ATOM 0 HH11 ARG A 14 5.636 12.693 7.480 1.00 0.00 H new ATOM 0 HH12 ARG A 14 7.216 13.460 7.677 1.00 0.00 H new ATOM 0 HH21 ARG A 14 6.292 15.259 10.563 1.00 0.00 H new ATOM 0 HH22 ARG A 14 7.585 14.904 9.412 1.00 0.00 H new ATOM 235 N LEU A 15 1.075 8.187 8.433 1.00 0.00 N ATOM 236 CA LEU A 15 -0.214 7.795 8.984 1.00 0.00 C ATOM 237 C LEU A 15 -0.114 6.557 9.870 1.00 0.00 C ATOM 238 O LEU A 15 -0.373 6.624 11.070 1.00 0.00 O ATOM 239 CB LEU A 15 -1.196 7.521 7.856 1.00 0.00 C ATOM 240 CG LEU A 15 -1.762 8.762 7.181 1.00 0.00 C ATOM 241 CD1 LEU A 15 -2.015 8.482 5.711 1.00 0.00 C ATOM 242 CD2 LEU A 15 -3.039 9.213 7.874 1.00 0.00 C ATOM 0 H LEU A 15 1.154 8.072 7.423 1.00 0.00 H new ATOM 0 HA LEU A 15 -0.563 8.622 9.602 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -0.699 6.910 7.102 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -2.023 6.931 8.250 1.00 0.00 H new ATOM 0 HG LEU A 15 -1.034 9.569 7.261 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -2.420 9.375 5.235 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -1.078 8.206 5.227 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -2.729 7.664 5.614 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -3.428 10.101 7.377 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -3.781 8.416 7.825 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -2.824 9.446 8.917 1.00 0.00 H new ATOM 254 N VAL A 16 0.235 5.420 9.271 1.00 0.00 N ATOM 255 CA VAL A 16 0.330 4.169 10.021 1.00 0.00 C ATOM 256 C VAL A 16 1.487 4.188 11.013 1.00 0.00 C ATOM 257 O VAL A 16 1.444 3.502 12.035 1.00 0.00 O ATOM 258 CB VAL A 16 0.457 2.944 9.081 1.00 0.00 C ATOM 259 CG1 VAL A 16 1.460 1.923 9.609 1.00 0.00 C ATOM 260 CG2 VAL A 16 -0.903 2.294 8.879 1.00 0.00 C ATOM 0 H VAL A 16 0.455 5.339 8.278 1.00 0.00 H new ATOM 0 HA VAL A 16 -0.599 4.076 10.583 1.00 0.00 H new ATOM 0 HB VAL A 16 0.830 3.302 8.121 1.00 0.00 H new ATOM 0 HG11 VAL A 16 1.518 1.080 8.920 1.00 0.00 H new ATOM 0 HG12 VAL A 16 2.442 2.389 9.696 1.00 0.00 H new ATOM 0 HG13 VAL A 16 1.138 1.569 10.588 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -0.801 1.434 8.217 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -1.296 1.966 9.841 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -1.589 3.015 8.434 1.00 0.00 H new ATOM 270 N GLN A 17 2.520 4.960 10.712 1.00 0.00 N ATOM 271 CA GLN A 17 3.674 5.033 11.595 1.00 0.00 C ATOM 272 C GLN A 17 3.488 6.092 12.680 1.00 0.00 C ATOM 273 O GLN A 17 4.279 6.165 13.620 1.00 0.00 O ATOM 274 CB GLN A 17 4.948 5.315 10.795 1.00 0.00 C ATOM 275 CG GLN A 17 5.234 4.274 9.722 1.00 0.00 C ATOM 276 CD GLN A 17 6.538 3.537 9.956 1.00 0.00 C ATOM 277 OE1 GLN A 17 7.576 4.152 10.204 1.00 0.00 O ATOM 278 NE2 GLN A 17 6.493 2.212 9.877 1.00 0.00 N ATOM 0 H GLN A 17 2.584 5.538 9.874 1.00 0.00 H new ATOM 0 HA GLN A 17 3.771 4.065 12.086 1.00 0.00 H new ATOM 0 HB2 GLN A 17 4.863 6.295 10.326 1.00 0.00 H new ATOM 0 HB3 GLN A 17 5.795 5.362 11.480 1.00 0.00 H new ATOM 0 HG2 GLN A 17 4.415 3.555 9.691 1.00 0.00 H new ATOM 0 HG3 GLN A 17 5.267 4.762 8.748 1.00 0.00 H new ATOM 0 HE21 GLN A 17 5.611 1.743 9.669 1.00 0.00 H new ATOM 0 HE22 GLN A 17 7.340 1.663 10.024 1.00 0.00 H new ATOM 287 N GLN A 18 2.445 6.913 12.556 1.00 0.00 N ATOM 288 CA GLN A 18 2.192 7.954 13.545 1.00 0.00 C ATOM 289 C GLN A 18 0.707 8.301 13.641 1.00 0.00 C ATOM 290 O GLN A 18 0.352 9.468 13.807 1.00 0.00 O ATOM 291 CB GLN A 18 2.991 9.215 13.204 1.00 0.00 C ATOM 292 CG GLN A 18 4.394 8.933 12.687 1.00 0.00 C ATOM 293 CD GLN A 18 5.224 10.193 12.536 1.00 0.00 C ATOM 294 OE1 GLN A 18 5.100 10.917 11.549 1.00 0.00 O ATOM 295 NE2 GLN A 18 6.078 10.461 13.518 1.00 0.00 N ATOM 0 H GLN A 18 1.772 6.877 11.791 1.00 0.00 H new ATOM 0 HA GLN A 18 2.511 7.566 14.512 1.00 0.00 H new ATOM 0 HB2 GLN A 18 2.446 9.787 12.453 1.00 0.00 H new ATOM 0 HB3 GLN A 18 3.061 9.841 14.094 1.00 0.00 H new ATOM 0 HG2 GLN A 18 4.898 8.250 13.370 1.00 0.00 H new ATOM 0 HG3 GLN A 18 4.327 8.428 11.723 1.00 0.00 H new ATOM 0 HE21 GLN A 18 6.148 9.833 14.318 1.00 0.00 H new ATOM 0 HE22 GLN A 18 6.663 11.295 13.471 1.00 0.00 H new ATOM 304 N GLU A 19 -0.163 7.296 13.544 1.00 0.00 N ATOM 305 CA GLU A 19 -1.602 7.546 13.632 1.00 0.00 C ATOM 306 C GLU A 19 -2.431 6.269 13.482 1.00 0.00 C ATOM 307 O GLU A 19 -3.098 5.840 14.423 1.00 0.00 O ATOM 308 CB GLU A 19 -2.031 8.560 12.567 1.00 0.00 C ATOM 309 CG GLU A 19 -3.044 9.576 13.070 1.00 0.00 C ATOM 310 CD GLU A 19 -2.530 11.001 13.000 1.00 0.00 C ATOM 311 OE1 GLU A 19 -1.847 11.432 13.953 1.00 0.00 O ATOM 312 OE2 GLU A 19 -2.811 11.685 11.994 1.00 0.00 O ATOM 0 H GLU A 19 0.096 6.319 13.407 1.00 0.00 H new ATOM 0 HA GLU A 19 -1.790 7.947 14.628 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -1.149 9.087 12.203 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -2.456 8.025 11.718 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -3.957 9.494 12.481 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -3.308 9.340 14.101 1.00 0.00 H new ATOM 319 N SER A 20 -2.414 5.686 12.287 1.00 0.00 N ATOM 320 CA SER A 20 -3.197 4.483 12.012 1.00 0.00 C ATOM 321 C SER A 20 -2.620 3.246 12.691 1.00 0.00 C ATOM 322 O SER A 20 -3.365 2.406 13.197 1.00 0.00 O ATOM 323 CB SER A 20 -3.294 4.241 10.503 1.00 0.00 C ATOM 324 OG SER A 20 -4.237 5.113 9.907 1.00 0.00 O ATOM 0 H SER A 20 -1.868 6.025 11.495 1.00 0.00 H new ATOM 0 HA SER A 20 -4.192 4.654 12.423 1.00 0.00 H new ATOM 0 HB2 SER A 20 -2.316 4.389 10.044 1.00 0.00 H new ATOM 0 HB3 SER A 20 -3.581 3.206 10.315 1.00 0.00 H new ATOM 0 HG SER A 20 -4.380 5.888 10.490 1.00 0.00 H new ATOM 330 N GLY A 21 -1.300 3.122 12.689 1.00 0.00 N ATOM 331 CA GLY A 21 -0.671 1.964 13.296 1.00 0.00 C ATOM 332 C GLY A 21 -0.657 0.764 12.364 1.00 0.00 C ATOM 333 O GLY A 21 0.387 0.146 12.157 1.00 0.00 O ATOM 0 H GLY A 21 -0.655 3.798 12.280 1.00 0.00 H new ATOM 0 HA2 GLY A 21 0.352 2.214 13.579 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -1.200 1.704 14.213 1.00 0.00 H new ATOM 337 N ASP A 22 -1.818 0.435 11.797 1.00 0.00 N ATOM 338 CA ASP A 22 -1.930 -0.697 10.881 1.00 0.00 C ATOM 339 C ASP A 22 -3.339 -0.802 10.292 1.00 0.00 C ATOM 340 O ASP A 22 -3.811 -1.896 9.980 1.00 0.00 O ATOM 341 CB ASP A 22 -1.572 -1.996 11.603 1.00 0.00 C ATOM 342 CG ASP A 22 -0.631 -2.867 10.794 1.00 0.00 C ATOM 343 OD1 ASP A 22 0.521 -2.442 10.565 1.00 0.00 O ATOM 344 OD2 ASP A 22 -1.045 -3.974 10.392 1.00 0.00 O ATOM 0 H ASP A 22 -2.692 0.936 11.956 1.00 0.00 H new ATOM 0 HA ASP A 22 -1.231 -0.533 10.061 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -1.110 -1.760 12.562 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -2.484 -2.553 11.817 1.00 0.00 H new ATOM 349 N CYS A 23 -4.001 0.340 10.138 1.00 0.00 N ATOM 350 CA CYS A 23 -5.352 0.385 9.582 1.00 0.00 C ATOM 351 C CYS A 23 -5.308 0.272 8.061 1.00 0.00 C ATOM 352 O CYS A 23 -4.298 -0.143 7.493 1.00 0.00 O ATOM 353 CB CYS A 23 -6.045 1.683 10.009 1.00 0.00 C ATOM 354 SG CYS A 23 -7.193 1.482 11.390 1.00 0.00 S ATOM 0 H CYS A 23 -3.623 1.253 10.392 1.00 0.00 H new ATOM 0 HA CYS A 23 -5.922 -0.460 9.967 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -5.286 2.415 10.285 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -6.587 2.091 9.156 1.00 0.00 H new ATOM 0 HG CYS A 23 -7.082 2.495 12.197 1.00 0.00 H new ATOM 360 N THR A 24 -6.402 0.639 7.402 1.00 0.00 N ATOM 361 CA THR A 24 -6.466 0.570 5.948 1.00 0.00 C ATOM 362 C THR A 24 -6.331 1.964 5.348 1.00 0.00 C ATOM 363 O THR A 24 -6.717 2.950 5.968 1.00 0.00 O ATOM 364 CB THR A 24 -7.781 -0.069 5.509 1.00 0.00 C ATOM 365 OG1 THR A 24 -7.958 -1.330 6.131 1.00 0.00 O ATOM 366 CG2 THR A 24 -7.879 -0.277 4.014 1.00 0.00 C ATOM 0 H THR A 24 -7.251 0.985 7.849 1.00 0.00 H new ATOM 0 HA THR A 24 -5.641 -0.045 5.590 1.00 0.00 H new ATOM 0 HB THR A 24 -8.557 0.634 5.812 1.00 0.00 H new ATOM 0 HG1 THR A 24 -8.850 -1.373 6.535 1.00 0.00 H new ATOM 0 HG21 THR A 24 -8.838 -0.735 3.772 1.00 0.00 H new ATOM 0 HG22 THR A 24 -7.798 0.684 3.507 1.00 0.00 H new ATOM 0 HG23 THR A 24 -7.072 -0.931 3.684 1.00 0.00 H new ATOM 374 N GLY A 25 -5.761 2.049 4.152 1.00 0.00 N ATOM 375 CA GLY A 25 -5.572 3.343 3.524 1.00 0.00 C ATOM 376 C GLY A 25 -6.510 3.597 2.362 1.00 0.00 C ATOM 377 O GLY A 25 -6.845 2.683 1.608 1.00 0.00 O ATOM 0 H GLY A 25 -5.429 1.252 3.609 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -5.713 4.124 4.271 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -4.543 3.420 3.173 1.00 0.00 H new ATOM 381 N LYS A 26 -6.916 4.854 2.212 1.00 0.00 N ATOM 382 CA LYS A 26 -7.802 5.257 1.126 1.00 0.00 C ATOM 383 C LYS A 26 -7.016 6.093 0.114 1.00 0.00 C ATOM 384 O LYS A 26 -6.400 7.089 0.480 1.00 0.00 O ATOM 385 CB LYS A 26 -9.012 6.029 1.691 1.00 0.00 C ATOM 386 CG LYS A 26 -9.011 7.528 1.419 1.00 0.00 C ATOM 387 CD LYS A 26 -9.398 7.846 -0.018 1.00 0.00 C ATOM 388 CE LYS A 26 -10.767 8.505 -0.098 1.00 0.00 C ATOM 389 NZ LYS A 26 -11.748 7.870 0.825 1.00 0.00 N ATOM 0 H LYS A 26 -6.643 5.615 2.834 1.00 0.00 H new ATOM 0 HA LYS A 26 -8.187 4.376 0.612 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -9.923 5.601 1.273 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -9.052 5.872 2.769 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -9.706 8.021 2.099 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -8.021 7.934 1.626 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -8.650 8.505 -0.459 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -9.401 6.928 -0.606 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -10.674 9.564 0.144 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -11.139 8.444 -1.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -12.714 8.083 0.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -11.604 6.840 0.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -11.612 8.243 1.786 1.00 0.00 H new ATOM 403 N LEU A 27 -7.011 5.669 -1.149 1.00 0.00 N ATOM 404 CA LEU A 27 -6.259 6.378 -2.184 1.00 0.00 C ATOM 405 C LEU A 27 -7.161 7.203 -3.096 1.00 0.00 C ATOM 406 O LEU A 27 -8.374 7.003 -3.130 1.00 0.00 O ATOM 407 CB LEU A 27 -5.456 5.382 -3.024 1.00 0.00 C ATOM 408 CG LEU A 27 -4.375 6.002 -3.912 1.00 0.00 C ATOM 409 CD1 LEU A 27 -3.167 5.082 -4.003 1.00 0.00 C ATOM 410 CD2 LEU A 27 -4.928 6.300 -5.300 1.00 0.00 C ATOM 0 H LEU A 27 -7.514 4.845 -1.479 1.00 0.00 H new ATOM 0 HA LEU A 27 -5.586 7.067 -1.675 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -4.985 4.663 -2.354 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -6.147 4.824 -3.656 1.00 0.00 H new ATOM 0 HG LEU A 27 -4.057 6.942 -3.461 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -2.409 5.539 -4.638 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -2.756 4.921 -3.006 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -3.469 4.126 -4.430 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -4.145 6.740 -5.917 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -5.275 5.375 -5.760 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -5.761 6.999 -5.218 1.00 0.00 H new ATOM 422 N ARG A 28 -6.526 8.131 -3.828 1.00 0.00 N ATOM 423 CA ARG A 28 -7.190 9.041 -4.776 1.00 0.00 C ATOM 424 C ARG A 28 -6.471 10.390 -4.772 1.00 0.00 C ATOM 425 O ARG A 28 -7.068 11.417 -4.452 1.00 0.00 O ATOM 426 CB ARG A 28 -8.679 9.252 -4.436 1.00 0.00 C ATOM 427 CG ARG A 28 -9.645 8.541 -5.378 1.00 0.00 C ATOM 428 CD ARG A 28 -9.092 7.213 -5.875 1.00 0.00 C ATOM 429 NE ARG A 28 -10.149 6.326 -6.357 1.00 0.00 N ATOM 430 CZ ARG A 28 -10.683 6.399 -7.575 1.00 0.00 C ATOM 431 NH1 ARG A 28 -10.263 7.316 -8.438 1.00 0.00 N ATOM 432 NH2 ARG A 28 -11.639 5.552 -7.931 1.00 0.00 N ATOM 0 H ARG A 28 -5.517 8.273 -3.777 1.00 0.00 H new ATOM 0 HA ARG A 28 -7.139 8.584 -5.764 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -8.860 8.905 -3.419 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -8.895 10.320 -4.451 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -10.591 8.369 -4.864 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -9.859 9.185 -6.231 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -8.378 7.395 -6.678 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -8.547 6.723 -5.069 1.00 0.00 H new ATOM 0 HE ARG A 28 -10.499 5.608 -5.723 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -9.527 7.970 -8.170 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -10.676 7.367 -9.369 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -11.965 4.845 -7.272 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -12.048 5.608 -8.864 1.00 0.00 H new ATOM 446 N GLY A 29 -5.174 10.383 -5.090 1.00 0.00 N ATOM 447 CA GLY A 29 -4.412 11.617 -5.065 1.00 0.00 C ATOM 448 C GLY A 29 -4.090 12.021 -3.637 1.00 0.00 C ATOM 449 O GLY A 29 -3.567 13.106 -3.384 1.00 0.00 O ATOM 0 H GLY A 29 -4.646 9.553 -5.361 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -3.488 11.491 -5.630 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -4.978 12.410 -5.553 1.00 0.00 H new ATOM 453 N ASN A 30 -4.427 11.129 -2.707 1.00 0.00 N ATOM 454 CA ASN A 30 -4.210 11.336 -1.284 1.00 0.00 C ATOM 455 C ASN A 30 -4.387 10.002 -0.565 1.00 0.00 C ATOM 456 O ASN A 30 -4.935 9.061 -1.137 1.00 0.00 O ATOM 457 CB ASN A 30 -5.196 12.388 -0.747 1.00 0.00 C ATOM 458 CG ASN A 30 -5.766 12.046 0.621 1.00 0.00 C ATOM 459 OD1 ASN A 30 -6.534 10.962 0.691 1.00 0.00 O flip ATOM 460 ND2 ASN A 30 -5.518 12.748 1.601 1.00 0.00 N flip ATOM 0 H ASN A 30 -4.863 10.234 -2.927 1.00 0.00 H new ATOM 0 HA ASN A 30 -3.200 11.707 -1.108 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -4.690 13.352 -0.690 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -6.017 12.500 -1.456 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -4.924 13.571 1.502 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -5.907 12.507 2.513 1.00 0.00 H new ATOM 467 N VAL A 31 -3.955 9.918 0.686 1.00 0.00 N ATOM 468 CA VAL A 31 -4.117 8.683 1.439 1.00 0.00 C ATOM 469 C VAL A 31 -4.701 8.953 2.825 1.00 0.00 C ATOM 470 O VAL A 31 -4.114 9.659 3.644 1.00 0.00 O ATOM 471 CB VAL A 31 -2.802 7.870 1.526 1.00 0.00 C ATOM 472 CG1 VAL A 31 -1.888 8.214 0.364 1.00 0.00 C ATOM 473 CG2 VAL A 31 -2.086 8.072 2.851 1.00 0.00 C ATOM 0 H VAL A 31 -3.498 10.676 1.193 1.00 0.00 H new ATOM 0 HA VAL A 31 -4.829 8.067 0.890 1.00 0.00 H new ATOM 0 HB VAL A 31 -3.069 6.815 1.466 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -0.968 7.634 0.440 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -2.389 7.978 -0.575 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -1.650 9.277 0.391 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -1.170 7.481 2.863 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -1.839 9.127 2.974 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -2.734 7.753 3.667 1.00 0.00 H new ATOM 483 N ALA A 32 -5.878 8.389 3.059 1.00 0.00 N ATOM 484 CA ALA A 32 -6.585 8.553 4.323 1.00 0.00 C ATOM 485 C ALA A 32 -6.488 7.289 5.168 1.00 0.00 C ATOM 486 O ALA A 32 -6.095 6.232 4.673 1.00 0.00 O ATOM 487 CB ALA A 32 -8.042 8.911 4.070 1.00 0.00 C ATOM 0 H ALA A 32 -6.369 7.807 2.381 1.00 0.00 H new ATOM 0 HA ALA A 32 -6.114 9.367 4.874 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -8.558 9.030 5.023 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -8.095 9.844 3.509 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -8.518 8.115 3.497 1.00 0.00 H new ATOM 493 N ALA A 33 -6.839 7.405 6.445 1.00 0.00 N ATOM 494 CA ALA A 33 -6.779 6.269 7.355 1.00 0.00 C ATOM 495 C ALA A 33 -8.169 5.703 7.629 1.00 0.00 C ATOM 496 O ALA A 33 -9.032 6.375 8.194 1.00 0.00 O ATOM 497 CB ALA A 33 -6.108 6.676 8.658 1.00 0.00 C ATOM 0 H ALA A 33 -7.167 8.272 6.871 1.00 0.00 H new ATOM 0 HA ALA A 33 -6.188 5.487 6.879 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -6.069 5.819 9.330 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -5.095 7.023 8.453 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -6.678 7.478 9.126 1.00 0.00 H new ATOM 503 N ASN A 34 -8.369 4.456 7.213 1.00 0.00 N ATOM 504 CA ASN A 34 -9.640 3.766 7.392 1.00 0.00 C ATOM 505 C ASN A 34 -9.597 2.866 8.624 1.00 0.00 C ATOM 506 O ASN A 34 -8.771 1.953 8.711 1.00 0.00 O ATOM 507 CB ASN A 34 -9.962 2.939 6.137 1.00 0.00 C ATOM 508 CG ASN A 34 -10.974 1.834 6.390 1.00 0.00 C ATOM 509 OD1 ASN A 34 -11.842 1.957 7.255 1.00 0.00 O ATOM 510 ND2 ASN A 34 -10.866 0.746 5.633 1.00 0.00 N ATOM 0 H ASN A 34 -7.656 3.898 6.744 1.00 0.00 H new ATOM 0 HA ASN A 34 -10.424 4.508 7.542 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -10.345 3.602 5.361 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -9.041 2.499 5.754 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -11.518 -0.029 5.758 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -10.131 0.686 4.928 1.00 0.00 H new ATOM 517 N LYS A 35 -10.495 3.129 9.568 1.00 0.00 N ATOM 518 CA LYS A 35 -10.572 2.347 10.796 1.00 0.00 C ATOM 519 C LYS A 35 -11.884 1.570 10.868 1.00 0.00 C ATOM 520 O LYS A 35 -11.967 0.536 11.531 1.00 0.00 O ATOM 521 CB LYS A 35 -10.436 3.259 12.016 1.00 0.00 C ATOM 522 CG LYS A 35 -9.881 2.554 13.243 1.00 0.00 C ATOM 523 CD LYS A 35 -8.893 3.433 13.993 1.00 0.00 C ATOM 524 CE LYS A 35 -9.601 4.370 14.957 1.00 0.00 C ATOM 525 NZ LYS A 35 -9.835 3.731 16.282 1.00 0.00 N ATOM 0 H LYS A 35 -11.182 3.881 9.505 1.00 0.00 H new ATOM 0 HA LYS A 35 -9.749 1.632 10.793 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -9.786 4.096 11.763 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -11.413 3.677 12.258 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -10.700 2.278 13.907 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -9.390 1.629 12.941 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -8.191 2.806 14.543 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -8.309 4.016 13.280 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -9.005 5.273 15.090 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -10.555 4.678 14.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -10.320 4.403 16.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -10.425 2.884 16.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -8.923 3.460 16.703 1.00 0.00 H new ATOM 539 N GLU A 36 -12.908 2.073 10.183 1.00 0.00 N ATOM 540 CA GLU A 36 -14.212 1.421 10.172 1.00 0.00 C ATOM 541 C GLU A 36 -14.107 0.009 9.607 1.00 0.00 C ATOM 542 O GLU A 36 -14.508 -0.960 10.251 1.00 0.00 O ATOM 543 CB GLU A 36 -15.209 2.239 9.348 1.00 0.00 C ATOM 544 CG GLU A 36 -15.918 3.319 10.148 1.00 0.00 C ATOM 545 CD GLU A 36 -16.462 4.431 9.272 1.00 0.00 C ATOM 546 OE1 GLU A 36 -17.617 4.314 8.813 1.00 0.00 O ATOM 547 OE2 GLU A 36 -15.732 5.419 9.045 1.00 0.00 O ATOM 0 H GLU A 36 -12.859 2.928 9.630 1.00 0.00 H new ATOM 0 HA GLU A 36 -14.568 1.358 11.200 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -14.683 2.703 8.513 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -15.953 1.566 8.922 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -16.737 2.871 10.710 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -15.225 3.741 10.876 1.00 0.00 H new ATOM 554 N THR A 37 -13.560 -0.100 8.401 1.00 0.00 N ATOM 555 CA THR A 37 -13.396 -1.394 7.749 1.00 0.00 C ATOM 556 C THR A 37 -12.030 -1.989 8.076 1.00 0.00 C ATOM 557 O THR A 37 -11.321 -1.491 8.950 1.00 0.00 O ATOM 558 CB THR A 37 -13.564 -1.253 6.233 1.00 0.00 C ATOM 559 OG1 THR A 37 -13.523 0.109 5.847 1.00 0.00 O ATOM 560 CG2 THR A 37 -14.863 -1.837 5.720 1.00 0.00 C ATOM 0 H THR A 37 -13.223 0.693 7.855 1.00 0.00 H new ATOM 0 HA THR A 37 -14.166 -2.068 8.124 1.00 0.00 H new ATOM 0 HB THR A 37 -12.735 -1.811 5.797 1.00 0.00 H new ATOM 0 HG1 THR A 37 -13.630 0.177 4.875 1.00 0.00 H new ATOM 0 HG21 THR A 37 -14.920 -1.705 4.640 1.00 0.00 H new ATOM 0 HG22 THR A 37 -14.903 -2.900 5.958 1.00 0.00 H new ATOM 0 HG23 THR A 37 -15.703 -1.328 6.193 1.00 0.00 H new ATOM 568 N THR A 38 -11.667 -3.058 7.376 1.00 0.00 N ATOM 569 CA THR A 38 -10.386 -3.716 7.605 1.00 0.00 C ATOM 570 C THR A 38 -9.657 -3.992 6.292 1.00 0.00 C ATOM 571 O THR A 38 -8.451 -3.783 6.197 1.00 0.00 O ATOM 572 CB THR A 38 -10.595 -5.024 8.369 1.00 0.00 C ATOM 573 OG1 THR A 38 -11.220 -5.991 7.544 1.00 0.00 O ATOM 574 CG2 THR A 38 -11.443 -4.863 9.611 1.00 0.00 C ATOM 0 H THR A 38 -12.239 -3.486 6.648 1.00 0.00 H new ATOM 0 HA THR A 38 -9.768 -3.044 8.200 1.00 0.00 H new ATOM 0 HB THR A 38 -9.598 -5.346 8.670 1.00 0.00 H new ATOM 0 HG1 THR A 38 -11.344 -6.821 8.049 1.00 0.00 H new ATOM 0 HG21 THR A 38 -11.552 -5.828 10.105 1.00 0.00 H new ATOM 0 HG22 THR A 38 -10.963 -4.159 10.291 1.00 0.00 H new ATOM 0 HG23 THR A 38 -12.427 -4.485 9.333 1.00 0.00 H new ATOM 582 N PHE A 39 -10.407 -4.469 5.293 1.00 0.00 N ATOM 583 CA PHE A 39 -9.867 -4.799 3.965 1.00 0.00 C ATOM 584 C PHE A 39 -9.431 -6.265 3.906 1.00 0.00 C ATOM 585 O PHE A 39 -9.469 -6.970 4.913 1.00 0.00 O ATOM 586 CB PHE A 39 -8.711 -3.857 3.557 1.00 0.00 C ATOM 587 CG PHE A 39 -7.359 -4.528 3.459 1.00 0.00 C ATOM 588 CD1 PHE A 39 -6.805 -5.193 4.547 1.00 0.00 C ATOM 589 CD2 PHE A 39 -6.645 -4.495 2.273 1.00 0.00 C ATOM 590 CE1 PHE A 39 -5.572 -5.807 4.449 1.00 0.00 C ATOM 591 CE2 PHE A 39 -5.410 -5.109 2.171 1.00 0.00 C ATOM 592 CZ PHE A 39 -4.874 -5.765 3.260 1.00 0.00 C ATOM 0 H PHE A 39 -11.409 -4.638 5.381 1.00 0.00 H new ATOM 0 HA PHE A 39 -10.669 -4.649 3.242 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -8.949 -3.406 2.594 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -8.648 -3.045 4.282 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -7.346 -5.230 5.481 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -7.058 -3.983 1.416 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -5.154 -6.320 5.303 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -4.865 -5.075 1.239 1.00 0.00 H new ATOM 0 HZ PHE A 39 -3.910 -6.245 3.182 1.00 0.00 H new ATOM 602 N GLN A 40 -9.020 -6.699 2.709 1.00 0.00 N ATOM 603 CA GLN A 40 -8.569 -8.074 2.446 1.00 0.00 C ATOM 604 C GLN A 40 -8.878 -8.452 0.999 1.00 0.00 C ATOM 605 O GLN A 40 -9.668 -9.359 0.734 1.00 0.00 O ATOM 606 CB GLN A 40 -9.239 -9.090 3.378 1.00 0.00 C ATOM 607 CG GLN A 40 -10.753 -9.150 3.229 1.00 0.00 C ATOM 608 CD GLN A 40 -11.486 -8.690 4.474 1.00 0.00 C ATOM 609 OE1 GLN A 40 -11.336 -9.273 5.548 1.00 0.00 O ATOM 610 NE2 GLN A 40 -12.286 -7.639 4.334 1.00 0.00 N ATOM 0 H GLN A 40 -8.990 -6.099 1.884 1.00 0.00 H new ATOM 0 HA GLN A 40 -7.495 -8.102 2.628 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -8.824 -10.079 3.182 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -8.994 -8.840 4.410 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -11.055 -8.529 2.385 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -11.050 -10.172 2.995 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -12.380 -7.187 3.424 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -12.807 -7.284 5.136 1.00 0.00 H new ATOM 619 N GLY A 41 -8.265 -7.736 0.067 1.00 0.00 N ATOM 620 CA GLY A 41 -8.499 -7.991 -1.345 1.00 0.00 C ATOM 621 C GLY A 41 -9.920 -7.639 -1.762 1.00 0.00 C ATOM 622 O GLY A 41 -10.184 -6.512 -2.169 1.00 0.00 O ATOM 0 H GLY A 41 -7.608 -6.981 0.262 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -7.793 -7.411 -1.940 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -8.309 -9.043 -1.560 1.00 0.00 H new ATOM 626 N LEU A 42 -10.845 -8.590 -1.650 1.00 0.00 N ATOM 627 CA LEU A 42 -12.246 -8.350 -2.009 1.00 0.00 C ATOM 628 C LEU A 42 -12.375 -7.556 -3.323 1.00 0.00 C ATOM 629 O LEU A 42 -11.387 -7.082 -3.877 1.00 0.00 O ATOM 630 CB LEU A 42 -12.920 -7.604 -0.857 1.00 0.00 C ATOM 631 CG LEU A 42 -14.448 -7.523 -0.908 1.00 0.00 C ATOM 632 CD1 LEU A 42 -15.053 -8.892 -1.190 1.00 0.00 C ATOM 633 CD2 LEU A 42 -14.987 -6.962 0.401 1.00 0.00 C ATOM 0 H LEU A 42 -10.653 -9.534 -1.314 1.00 0.00 H new ATOM 0 HA LEU A 42 -12.738 -9.308 -2.175 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -12.633 -8.086 0.078 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -12.524 -6.589 -0.827 1.00 0.00 H new ATOM 0 HG LEU A 42 -14.731 -6.854 -1.720 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -16.139 -8.810 -1.222 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -14.689 -9.260 -2.149 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -14.764 -9.587 -0.401 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -16.075 -6.909 0.354 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -14.691 -7.612 1.225 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -14.582 -5.963 0.563 1.00 0.00 H new ATOM 645 N THR A 43 -13.596 -7.420 -3.831 1.00 0.00 N ATOM 646 CA THR A 43 -13.816 -6.691 -5.078 1.00 0.00 C ATOM 647 C THR A 43 -14.891 -5.617 -4.921 1.00 0.00 C ATOM 648 O THR A 43 -15.648 -5.346 -5.854 1.00 0.00 O ATOM 649 CB THR A 43 -14.204 -7.657 -6.197 1.00 0.00 C ATOM 650 OG1 THR A 43 -13.902 -8.994 -5.838 1.00 0.00 O ATOM 651 CG2 THR A 43 -13.501 -7.363 -7.503 1.00 0.00 C ATOM 0 H THR A 43 -14.441 -7.800 -3.405 1.00 0.00 H new ATOM 0 HA THR A 43 -12.881 -6.195 -5.338 1.00 0.00 H new ATOM 0 HB THR A 43 -15.277 -7.522 -6.337 1.00 0.00 H new ATOM 0 HG1 THR A 43 -14.160 -9.595 -6.568 1.00 0.00 H new ATOM 0 HG21 THR A 43 -13.819 -8.083 -8.257 1.00 0.00 H new ATOM 0 HG22 THR A 43 -13.754 -6.356 -7.834 1.00 0.00 H new ATOM 0 HG23 THR A 43 -12.423 -7.438 -7.361 1.00 0.00 H new ATOM 659 N ILE A 44 -14.948 -5.001 -3.743 1.00 0.00 N ATOM 660 CA ILE A 44 -15.926 -3.947 -3.473 1.00 0.00 C ATOM 661 C ILE A 44 -17.368 -4.411 -3.699 1.00 0.00 C ATOM 662 O ILE A 44 -18.298 -3.605 -3.651 1.00 0.00 O ATOM 663 CB ILE A 44 -15.662 -2.725 -4.364 1.00 0.00 C ATOM 664 CG1 ILE A 44 -14.185 -2.331 -4.303 1.00 0.00 C ATOM 665 CG2 ILE A 44 -16.546 -1.556 -3.951 1.00 0.00 C ATOM 666 CD1 ILE A 44 -13.694 -2.050 -2.899 1.00 0.00 C ATOM 0 H ILE A 44 -14.330 -5.212 -2.960 1.00 0.00 H new ATOM 0 HA ILE A 44 -15.810 -3.685 -2.421 1.00 0.00 H new ATOM 0 HB ILE A 44 -15.908 -2.990 -5.392 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -13.585 -3.131 -4.736 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -14.027 -1.446 -4.919 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -16.343 -0.701 -4.595 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -17.594 -1.841 -4.046 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -16.335 -1.288 -2.916 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -12.639 -1.777 -2.930 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -14.269 -1.229 -2.470 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -13.820 -2.941 -2.284 1.00 0.00 H new ATOM 678 N ALA A 45 -17.553 -5.700 -3.950 1.00 0.00 N ATOM 679 CA ALA A 45 -18.885 -6.247 -4.186 1.00 0.00 C ATOM 680 C ALA A 45 -19.522 -6.742 -2.892 1.00 0.00 C ATOM 681 O ALA A 45 -20.742 -6.701 -2.736 1.00 0.00 O ATOM 682 CB ALA A 45 -18.818 -7.373 -5.207 1.00 0.00 C ATOM 0 H ALA A 45 -16.800 -6.386 -3.996 1.00 0.00 H new ATOM 0 HA ALA A 45 -19.511 -5.446 -4.580 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -19.818 -7.773 -5.374 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -18.419 -6.989 -6.146 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -18.169 -8.165 -4.833 1.00 0.00 H new ATOM 688 N SER A 46 -18.692 -7.212 -1.967 1.00 0.00 N ATOM 689 CA SER A 46 -19.183 -7.717 -0.690 1.00 0.00 C ATOM 690 C SER A 46 -19.213 -6.615 0.365 1.00 0.00 C ATOM 691 O SER A 46 -20.241 -6.380 1.000 1.00 0.00 O ATOM 692 CB SER A 46 -18.313 -8.878 -0.206 1.00 0.00 C ATOM 693 OG SER A 46 -19.103 -9.894 0.387 1.00 0.00 O ATOM 0 H SER A 46 -17.679 -7.254 -2.077 1.00 0.00 H new ATOM 0 HA SER A 46 -20.202 -8.073 -0.842 1.00 0.00 H new ATOM 0 HB2 SER A 46 -17.753 -9.291 -1.045 1.00 0.00 H new ATOM 0 HB3 SER A 46 -17.583 -8.513 0.516 1.00 0.00 H new ATOM 0 HG SER A 46 -18.524 -10.626 0.687 1.00 0.00 H new ATOM 699 N GLY A 47 -18.080 -5.945 0.551 1.00 0.00 N ATOM 700 CA GLY A 47 -18.005 -4.880 1.533 1.00 0.00 C ATOM 701 C GLY A 47 -16.618 -4.277 1.641 1.00 0.00 C ATOM 702 O GLY A 47 -15.921 -4.480 2.635 1.00 0.00 O ATOM 0 H GLY A 47 -17.215 -6.120 0.040 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -18.717 -4.098 1.269 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -18.304 -5.268 2.507 1.00 0.00 H new ATOM 706 N ALA A 48 -16.219 -3.528 0.617 1.00 0.00 N ATOM 707 CA ALA A 48 -14.909 -2.888 0.603 1.00 0.00 C ATOM 708 C ALA A 48 -15.018 -1.443 0.128 1.00 0.00 C ATOM 709 O ALA A 48 -16.011 -1.058 -0.488 1.00 0.00 O ATOM 710 CB ALA A 48 -13.945 -3.665 -0.282 1.00 0.00 C ATOM 0 H ALA A 48 -16.784 -3.350 -0.213 1.00 0.00 H new ATOM 0 HA ALA A 48 -14.521 -2.886 1.622 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -12.972 -3.173 -0.280 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -13.838 -4.680 0.100 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -14.333 -3.699 -1.300 1.00 0.00 H new ATOM 716 N ARG A 49 -13.995 -0.646 0.419 1.00 0.00 N ATOM 717 CA ARG A 49 -13.990 0.757 0.018 1.00 0.00 C ATOM 718 C ARG A 49 -13.279 0.944 -1.319 1.00 0.00 C ATOM 719 O ARG A 49 -12.195 0.402 -1.538 1.00 0.00 O ATOM 720 CB ARG A 49 -13.320 1.614 1.095 1.00 0.00 C ATOM 721 CG ARG A 49 -14.305 2.393 1.951 1.00 0.00 C ATOM 722 CD ARG A 49 -13.596 3.179 3.042 1.00 0.00 C ATOM 723 NE ARG A 49 -14.539 3.837 3.943 1.00 0.00 N ATOM 724 CZ ARG A 49 -14.182 4.466 5.060 1.00 0.00 C ATOM 725 NH1 ARG A 49 -12.905 4.526 5.417 1.00 0.00 N ATOM 726 NH2 ARG A 49 -15.104 5.038 5.823 1.00 0.00 N ATOM 0 H ARG A 49 -13.163 -0.945 0.928 1.00 0.00 H new ATOM 0 HA ARG A 49 -15.025 1.078 -0.099 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -12.721 0.970 1.739 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -12.634 2.313 0.617 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -14.875 3.076 1.321 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -15.019 1.705 2.403 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -12.956 2.508 3.614 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -12.947 3.927 2.587 1.00 0.00 H new ATOM 0 HE ARG A 49 -15.530 3.813 3.702 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -12.191 4.089 4.834 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -12.637 5.010 6.274 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -16.087 4.996 5.554 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -14.830 5.520 6.679 1.00 0.00 H new ATOM 740 N GLU A 50 -13.894 1.721 -2.210 1.00 0.00 N ATOM 741 CA GLU A 50 -13.317 1.988 -3.526 1.00 0.00 C ATOM 742 C GLU A 50 -11.872 2.466 -3.396 1.00 0.00 C ATOM 743 O GLU A 50 -11.055 2.278 -4.298 1.00 0.00 O ATOM 744 CB GLU A 50 -14.150 3.036 -4.268 1.00 0.00 C ATOM 745 CG GLU A 50 -15.130 2.440 -5.265 1.00 0.00 C ATOM 746 CD GLU A 50 -15.774 3.490 -6.149 1.00 0.00 C ATOM 747 OE1 GLU A 50 -16.711 4.169 -5.678 1.00 0.00 O ATOM 748 OE2 GLU A 50 -15.342 3.634 -7.311 1.00 0.00 O ATOM 0 H GLU A 50 -14.792 2.176 -2.044 1.00 0.00 H new ATOM 0 HA GLU A 50 -13.325 1.059 -4.097 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -14.702 3.631 -3.540 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -13.479 3.716 -4.793 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -14.610 1.714 -5.890 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -15.907 1.898 -4.726 1.00 0.00 H new ATOM 755 N SER A 51 -11.563 3.078 -2.262 1.00 0.00 N ATOM 756 CA SER A 51 -10.221 3.573 -2.006 1.00 0.00 C ATOM 757 C SER A 51 -9.256 2.410 -1.808 1.00 0.00 C ATOM 758 O SER A 51 -8.269 2.281 -2.528 1.00 0.00 O ATOM 759 CB SER A 51 -10.222 4.466 -0.772 1.00 0.00 C ATOM 760 OG SER A 51 -10.271 3.693 0.414 1.00 0.00 O ATOM 0 H SER A 51 -12.226 3.243 -1.504 1.00 0.00 H new ATOM 0 HA SER A 51 -9.893 4.156 -2.867 1.00 0.00 H new ATOM 0 HB2 SER A 51 -9.327 5.088 -0.768 1.00 0.00 H new ATOM 0 HB3 SER A 51 -11.078 5.140 -0.807 1.00 0.00 H new ATOM 0 HG SER A 51 -11.067 3.937 0.931 1.00 0.00 H new ATOM 766 N GLU A 52 -9.557 1.562 -0.826 1.00 0.00 N ATOM 767 CA GLU A 52 -8.728 0.398 -0.525 1.00 0.00 C ATOM 768 C GLU A 52 -8.315 -0.332 -1.804 1.00 0.00 C ATOM 769 O GLU A 52 -7.135 -0.618 -2.017 1.00 0.00 O ATOM 770 CB GLU A 52 -9.486 -0.562 0.399 1.00 0.00 C ATOM 771 CG GLU A 52 -10.149 0.118 1.587 1.00 0.00 C ATOM 772 CD GLU A 52 -10.930 -0.852 2.452 1.00 0.00 C ATOM 773 OE1 GLU A 52 -10.685 -2.072 2.346 1.00 0.00 O ATOM 774 OE2 GLU A 52 -11.786 -0.392 3.237 1.00 0.00 O ATOM 0 H GLU A 52 -10.374 1.661 -0.223 1.00 0.00 H new ATOM 0 HA GLU A 52 -7.825 0.747 -0.024 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -10.248 -1.082 -0.181 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -8.793 -1.319 0.767 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -9.386 0.607 2.193 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -10.819 0.899 1.227 1.00 0.00 H new ATOM 781 N LYS A 53 -9.296 -0.631 -2.652 1.00 0.00 N ATOM 782 CA LYS A 53 -9.039 -1.330 -3.907 1.00 0.00 C ATOM 783 C LYS A 53 -8.185 -0.485 -4.852 1.00 0.00 C ATOM 784 O LYS A 53 -7.154 -0.952 -5.345 1.00 0.00 O ATOM 785 CB LYS A 53 -10.355 -1.724 -4.577 1.00 0.00 C ATOM 786 CG LYS A 53 -11.260 -0.552 -4.885 1.00 0.00 C ATOM 787 CD LYS A 53 -11.369 -0.324 -6.380 1.00 0.00 C ATOM 788 CE LYS A 53 -12.737 0.216 -6.770 1.00 0.00 C ATOM 789 NZ LYS A 53 -12.667 1.634 -7.219 1.00 0.00 N ATOM 0 H LYS A 53 -10.276 -0.400 -2.492 1.00 0.00 H new ATOM 0 HA LYS A 53 -8.479 -2.236 -3.677 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -10.135 -2.254 -5.504 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -10.887 -2.421 -3.929 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -12.251 -0.734 -4.469 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -10.873 0.346 -4.404 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -10.597 0.377 -6.698 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -11.185 -1.261 -6.905 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -13.155 -0.397 -7.568 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -13.414 0.138 -5.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -13.549 1.887 -7.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -12.540 2.254 -6.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -11.863 1.753 -7.868 1.00 0.00 H new ATOM 803 N VAL A 54 -8.593 0.763 -5.095 1.00 0.00 N ATOM 804 CA VAL A 54 -7.823 1.642 -5.967 1.00 0.00 C ATOM 805 C VAL A 54 -6.401 1.758 -5.436 1.00 0.00 C ATOM 806 O VAL A 54 -5.431 1.785 -6.198 1.00 0.00 O ATOM 807 CB VAL A 54 -8.455 3.049 -6.071 1.00 0.00 C ATOM 808 CG1 VAL A 54 -7.510 4.025 -6.760 1.00 0.00 C ATOM 809 CG2 VAL A 54 -9.783 2.983 -6.810 1.00 0.00 C ATOM 0 H VAL A 54 -9.439 1.179 -4.706 1.00 0.00 H new ATOM 0 HA VAL A 54 -7.820 1.206 -6.966 1.00 0.00 H new ATOM 0 HB VAL A 54 -8.636 3.412 -5.059 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -7.980 5.006 -6.819 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -6.585 4.100 -6.189 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -7.288 3.668 -7.766 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -10.214 3.982 -6.874 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -9.621 2.593 -7.815 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -10.467 2.327 -6.272 1.00 0.00 H new ATOM 819 N PHE A 55 -6.293 1.793 -4.112 1.00 0.00 N ATOM 820 CA PHE A 55 -4.999 1.875 -3.452 1.00 0.00 C ATOM 821 C PHE A 55 -4.160 0.669 -3.834 1.00 0.00 C ATOM 822 O PHE A 55 -2.998 0.801 -4.219 1.00 0.00 O ATOM 823 CB PHE A 55 -5.170 1.935 -1.933 1.00 0.00 C ATOM 824 CG PHE A 55 -4.111 2.744 -1.238 1.00 0.00 C ATOM 825 CD1 PHE A 55 -2.785 2.671 -1.638 1.00 0.00 C ATOM 826 CD2 PHE A 55 -4.444 3.581 -0.187 1.00 0.00 C ATOM 827 CE1 PHE A 55 -1.813 3.419 -1.000 1.00 0.00 C ATOM 828 CE2 PHE A 55 -3.477 4.330 0.455 1.00 0.00 C ATOM 829 CZ PHE A 55 -2.159 4.249 0.048 1.00 0.00 C ATOM 0 H PHE A 55 -7.089 1.766 -3.475 1.00 0.00 H new ATOM 0 HA PHE A 55 -4.495 2.786 -3.775 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -6.148 2.358 -1.703 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -5.160 0.920 -1.535 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -2.509 2.023 -2.457 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -5.473 3.649 0.135 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -0.784 3.354 -1.321 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -3.751 4.978 1.274 1.00 0.00 H new ATOM 0 HZ PHE A 55 -1.401 4.834 0.548 1.00 0.00 H new ATOM 839 N ALA A 56 -4.768 -0.511 -3.748 1.00 0.00 N ATOM 840 CA ALA A 56 -4.080 -1.738 -4.112 1.00 0.00 C ATOM 841 C ALA A 56 -3.539 -1.625 -5.525 1.00 0.00 C ATOM 842 O ALA A 56 -2.327 -1.619 -5.736 1.00 0.00 O ATOM 843 CB ALA A 56 -5.011 -2.936 -3.994 1.00 0.00 C ATOM 0 H ALA A 56 -5.729 -0.640 -3.431 1.00 0.00 H new ATOM 0 HA ALA A 56 -3.248 -1.888 -3.424 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -4.474 -3.843 -4.272 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -5.363 -3.023 -2.966 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -5.864 -2.801 -4.660 1.00 0.00 H new ATOM 849 N GLN A 57 -4.449 -1.510 -6.491 1.00 0.00 N ATOM 850 CA GLN A 57 -4.062 -1.377 -7.894 1.00 0.00 C ATOM 851 C GLN A 57 -2.844 -0.467 -8.037 1.00 0.00 C ATOM 852 O GLN A 57 -1.871 -0.814 -8.707 1.00 0.00 O ATOM 853 CB GLN A 57 -5.227 -0.822 -8.715 1.00 0.00 C ATOM 854 CG GLN A 57 -6.417 -1.764 -8.796 1.00 0.00 C ATOM 855 CD GLN A 57 -6.446 -2.555 -10.089 1.00 0.00 C ATOM 856 OE1 GLN A 57 -7.312 -2.347 -10.939 1.00 0.00 O ATOM 857 NE2 GLN A 57 -5.496 -3.471 -10.244 1.00 0.00 N ATOM 0 H GLN A 57 -5.456 -1.506 -6.329 1.00 0.00 H new ATOM 0 HA GLN A 57 -3.801 -2.366 -8.270 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -5.551 0.123 -8.278 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -4.878 -0.603 -9.724 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -6.388 -2.454 -7.953 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -7.338 -1.189 -8.705 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -4.798 -3.610 -9.514 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -5.465 -4.035 -11.093 1.00 0.00 H new ATOM 866 N THR A 58 -2.903 0.694 -7.393 1.00 0.00 N ATOM 867 CA THR A 58 -1.803 1.649 -7.446 1.00 0.00 C ATOM 868 C THR A 58 -0.544 1.094 -6.777 1.00 0.00 C ATOM 869 O THR A 58 0.532 1.080 -7.383 1.00 0.00 O ATOM 870 CB THR A 58 -2.208 2.967 -6.779 1.00 0.00 C ATOM 871 OG1 THR A 58 -3.591 3.213 -6.954 1.00 0.00 O ATOM 872 CG2 THR A 58 -1.460 4.167 -7.321 1.00 0.00 C ATOM 0 H THR A 58 -3.698 0.995 -6.830 1.00 0.00 H new ATOM 0 HA THR A 58 -1.576 1.831 -8.497 1.00 0.00 H new ATOM 0 HB THR A 58 -1.957 2.846 -5.725 1.00 0.00 H new ATOM 0 HG1 THR A 58 -4.085 2.868 -6.181 1.00 0.00 H new ATOM 0 HG21 THR A 58 -1.795 5.067 -6.806 1.00 0.00 H new ATOM 0 HG22 THR A 58 -0.390 4.033 -7.159 1.00 0.00 H new ATOM 0 HG23 THR A 58 -1.656 4.266 -8.389 1.00 0.00 H new ATOM 880 N VAL A 59 -0.677 0.656 -5.520 1.00 0.00 N ATOM 881 CA VAL A 59 0.462 0.129 -4.768 1.00 0.00 C ATOM 882 C VAL A 59 1.264 -0.898 -5.563 1.00 0.00 C ATOM 883 O VAL A 59 2.490 -0.884 -5.523 1.00 0.00 O ATOM 884 CB VAL A 59 0.050 -0.460 -3.390 1.00 0.00 C ATOM 885 CG1 VAL A 59 -0.316 -1.936 -3.470 1.00 0.00 C ATOM 886 CG2 VAL A 59 1.170 -0.255 -2.382 1.00 0.00 C ATOM 0 H VAL A 59 -1.558 0.657 -5.006 1.00 0.00 H new ATOM 0 HA VAL A 59 1.106 0.989 -4.584 1.00 0.00 H new ATOM 0 HB VAL A 59 -0.843 0.074 -3.066 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -0.596 -2.296 -2.480 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -1.155 -2.066 -4.154 1.00 0.00 H new ATOM 0 HG13 VAL A 59 0.540 -2.504 -3.834 1.00 0.00 H new ATOM 0 HG21 VAL A 59 0.873 -0.671 -1.419 1.00 0.00 H new ATOM 0 HG22 VAL A 59 2.071 -0.758 -2.732 1.00 0.00 H new ATOM 0 HG23 VAL A 59 1.369 0.811 -2.271 1.00 0.00 H new ATOM 896 N LEU A 60 0.588 -1.782 -6.289 1.00 0.00 N ATOM 897 CA LEU A 60 1.297 -2.791 -7.076 1.00 0.00 C ATOM 898 C LEU A 60 1.516 -2.304 -8.503 1.00 0.00 C ATOM 899 O LEU A 60 2.360 -2.831 -9.227 1.00 0.00 O ATOM 900 CB LEU A 60 0.564 -4.129 -7.048 1.00 0.00 C ATOM 901 CG LEU A 60 -0.628 -4.169 -6.118 1.00 0.00 C ATOM 902 CD1 LEU A 60 -1.895 -3.886 -6.901 1.00 0.00 C ATOM 903 CD2 LEU A 60 -0.704 -5.503 -5.391 1.00 0.00 C ATOM 0 H LEU A 60 -0.429 -1.824 -6.351 1.00 0.00 H new ATOM 0 HA LEU A 60 2.276 -2.949 -6.623 1.00 0.00 H new ATOM 0 HB2 LEU A 60 0.230 -4.368 -8.058 1.00 0.00 H new ATOM 0 HB3 LEU A 60 1.266 -4.908 -6.752 1.00 0.00 H new ATOM 0 HG LEU A 60 -0.515 -3.396 -5.358 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -2.752 -3.915 -6.229 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -1.827 -2.899 -7.359 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -2.018 -4.640 -7.679 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -1.569 -5.507 -4.728 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -0.800 -6.309 -6.119 1.00 0.00 H new ATOM 0 HD23 LEU A 60 0.203 -5.650 -4.805 1.00 0.00 H new ATOM 915 N SER A 61 0.764 -1.278 -8.894 1.00 0.00 N ATOM 916 CA SER A 61 0.897 -0.704 -10.229 1.00 0.00 C ATOM 917 C SER A 61 2.258 -0.034 -10.395 1.00 0.00 C ATOM 918 O SER A 61 3.066 -0.460 -11.220 1.00 0.00 O ATOM 919 CB SER A 61 -0.205 0.315 -10.492 1.00 0.00 C ATOM 920 OG SER A 61 -1.344 -0.299 -11.070 1.00 0.00 O ATOM 0 H SER A 61 0.060 -0.829 -8.308 1.00 0.00 H new ATOM 0 HA SER A 61 0.809 -1.517 -10.950 1.00 0.00 H new ATOM 0 HB2 SER A 61 -0.485 0.801 -9.557 1.00 0.00 H new ATOM 0 HB3 SER A 61 0.168 1.094 -11.157 1.00 0.00 H new ATOM 0 HG SER A 61 -1.969 -0.560 -10.362 1.00 0.00 H new ATOM 926 N HIS A 62 2.519 1.012 -9.604 1.00 0.00 N ATOM 927 CA HIS A 62 3.788 1.705 -9.684 1.00 0.00 C ATOM 928 C HIS A 62 4.907 0.769 -9.275 1.00 0.00 C ATOM 929 O HIS A 62 5.950 0.701 -9.925 1.00 0.00 O ATOM 930 CB HIS A 62 3.778 2.949 -8.809 1.00 0.00 C ATOM 931 CG HIS A 62 3.185 2.758 -7.455 1.00 0.00 C ATOM 932 ND1 HIS A 62 1.938 3.229 -7.114 1.00 0.00 N ATOM 933 CD2 HIS A 62 3.683 2.171 -6.347 1.00 0.00 C ATOM 934 CE1 HIS A 62 1.694 2.941 -5.851 1.00 0.00 C ATOM 935 NE2 HIS A 62 2.739 2.297 -5.362 1.00 0.00 N ATOM 0 H HIS A 62 1.870 1.386 -8.912 1.00 0.00 H new ATOM 0 HA HIS A 62 3.953 2.023 -10.713 1.00 0.00 H new ATOM 0 HB2 HIS A 62 4.802 3.303 -8.695 1.00 0.00 H new ATOM 0 HB3 HIS A 62 3.225 3.734 -9.325 1.00 0.00 H new ATOM 0 HD1 HIS A 62 1.302 3.723 -7.740 1.00 0.00 H new ATOM 0 HD2 HIS A 62 4.646 1.691 -6.254 1.00 0.00 H new ATOM 0 HE1 HIS A 62 0.794 3.189 -5.309 1.00 0.00 H new ATOM 944 N VAL A 63 4.664 0.026 -8.207 1.00 0.00 N ATOM 945 CA VAL A 63 5.635 -0.946 -7.718 1.00 0.00 C ATOM 946 C VAL A 63 6.011 -1.905 -8.846 1.00 0.00 C ATOM 947 O VAL A 63 7.169 -1.987 -9.254 1.00 0.00 O ATOM 948 CB VAL A 63 5.080 -1.727 -6.508 1.00 0.00 C ATOM 949 CG1 VAL A 63 5.783 -3.063 -6.296 1.00 0.00 C ATOM 950 CG2 VAL A 63 5.166 -0.883 -5.251 1.00 0.00 C ATOM 0 H VAL A 63 3.804 0.076 -7.661 1.00 0.00 H new ATOM 0 HA VAL A 63 6.526 -0.412 -7.387 1.00 0.00 H new ATOM 0 HB VAL A 63 4.035 -1.949 -6.727 1.00 0.00 H new ATOM 0 HG11 VAL A 63 5.352 -3.568 -5.432 1.00 0.00 H new ATOM 0 HG12 VAL A 63 5.655 -3.686 -7.181 1.00 0.00 H new ATOM 0 HG13 VAL A 63 6.845 -2.892 -6.123 1.00 0.00 H new ATOM 0 HG21 VAL A 63 4.771 -1.447 -4.406 1.00 0.00 H new ATOM 0 HG22 VAL A 63 6.207 -0.622 -5.058 1.00 0.00 H new ATOM 0 HG23 VAL A 63 4.582 0.028 -5.384 1.00 0.00 H new ATOM 960 N ALA A 64 5.004 -2.606 -9.357 1.00 0.00 N ATOM 961 CA ALA A 64 5.175 -3.549 -10.460 1.00 0.00 C ATOM 962 C ALA A 64 6.459 -4.384 -10.347 1.00 0.00 C ATOM 963 O ALA A 64 6.979 -4.845 -11.361 1.00 0.00 O ATOM 964 CB ALA A 64 5.162 -2.797 -11.783 1.00 0.00 C ATOM 0 H ALA A 64 4.044 -2.537 -9.018 1.00 0.00 H new ATOM 0 HA ALA A 64 4.341 -4.249 -10.412 1.00 0.00 H new ATOM 0 HB1 ALA A 64 5.290 -3.503 -12.604 1.00 0.00 H new ATOM 0 HB2 ALA A 64 4.211 -2.277 -11.896 1.00 0.00 H new ATOM 0 HB3 ALA A 64 5.976 -2.072 -11.798 1.00 0.00 H new ATOM 970 N ASN A 65 6.956 -4.578 -9.117 1.00 0.00 N ATOM 971 CA ASN A 65 8.180 -5.364 -8.864 1.00 0.00 C ATOM 972 C ASN A 65 8.912 -4.848 -7.622 1.00 0.00 C ATOM 973 O ASN A 65 8.970 -5.527 -6.597 1.00 0.00 O ATOM 974 CB ASN A 65 9.133 -5.333 -10.069 1.00 0.00 C ATOM 975 CG ASN A 65 10.498 -5.920 -9.757 1.00 0.00 C ATOM 976 OD1 ASN A 65 10.691 -7.135 -9.811 1.00 0.00 O ATOM 977 ND2 ASN A 65 11.453 -5.058 -9.428 1.00 0.00 N ATOM 0 H ASN A 65 6.527 -4.199 -8.273 1.00 0.00 H new ATOM 0 HA ASN A 65 7.868 -6.395 -8.697 1.00 0.00 H new ATOM 0 HB2 ASN A 65 8.685 -5.886 -10.895 1.00 0.00 H new ATOM 0 HB3 ASN A 65 9.254 -4.303 -10.404 1.00 0.00 H new ATOM 0 HD21 ASN A 65 12.390 -5.395 -9.208 1.00 0.00 H new ATOM 0 HD22 ASN A 65 11.249 -4.059 -9.396 1.00 0.00 H new ATOM 984 N VAL A 66 9.473 -3.644 -7.731 1.00 0.00 N ATOM 985 CA VAL A 66 10.209 -3.012 -6.632 1.00 0.00 C ATOM 986 C VAL A 66 11.174 -3.976 -5.943 1.00 0.00 C ATOM 987 O VAL A 66 11.536 -5.010 -6.503 1.00 0.00 O ATOM 988 CB VAL A 66 9.249 -2.394 -5.600 1.00 0.00 C ATOM 989 CG1 VAL A 66 8.351 -1.387 -6.286 1.00 0.00 C ATOM 990 CG2 VAL A 66 8.439 -3.466 -4.884 1.00 0.00 C ATOM 0 H VAL A 66 9.431 -3.080 -8.580 1.00 0.00 H new ATOM 0 HA VAL A 66 10.805 -2.216 -7.080 1.00 0.00 H new ATOM 0 HB VAL A 66 9.834 -1.880 -4.837 1.00 0.00 H new ATOM 0 HG11 VAL A 66 7.671 -0.949 -5.555 1.00 0.00 H new ATOM 0 HG12 VAL A 66 8.960 -0.601 -6.732 1.00 0.00 H new ATOM 0 HG13 VAL A 66 7.774 -1.885 -7.065 1.00 0.00 H new ATOM 0 HG21 VAL A 66 7.771 -2.996 -4.162 1.00 0.00 H new ATOM 0 HG22 VAL A 66 7.851 -4.025 -5.612 1.00 0.00 H new ATOM 0 HG23 VAL A 66 9.114 -4.146 -4.364 1.00 0.00 H new ATOM 1000 N VAL A 67 11.609 -3.616 -4.736 1.00 0.00 N ATOM 1001 CA VAL A 67 12.541 -4.415 -3.989 1.00 0.00 C ATOM 1002 C VAL A 67 12.196 -4.389 -2.512 1.00 0.00 C ATOM 1003 O VAL A 67 12.828 -3.683 -1.725 1.00 0.00 O ATOM 1004 CB VAL A 67 13.955 -3.874 -4.156 1.00 0.00 C ATOM 1005 CG1 VAL A 67 14.498 -4.164 -5.547 1.00 0.00 C ATOM 1006 CG2 VAL A 67 14.006 -2.391 -3.839 1.00 0.00 C ATOM 0 H VAL A 67 11.318 -2.761 -4.261 1.00 0.00 H new ATOM 0 HA VAL A 67 12.483 -5.436 -4.367 1.00 0.00 H new ATOM 0 HB VAL A 67 14.598 -4.390 -3.443 1.00 0.00 H new ATOM 0 HG11 VAL A 67 15.509 -3.765 -5.634 1.00 0.00 H new ATOM 0 HG12 VAL A 67 14.518 -5.241 -5.713 1.00 0.00 H new ATOM 0 HG13 VAL A 67 13.857 -3.694 -6.293 1.00 0.00 H new ATOM 0 HG21 VAL A 67 15.026 -2.027 -3.965 1.00 0.00 H new ATOM 0 HG22 VAL A 67 13.342 -1.852 -4.514 1.00 0.00 H new ATOM 0 HG23 VAL A 67 13.687 -2.228 -2.810 1.00 0.00 H new ATOM 1016 N LEU A 68 11.182 -5.142 -2.142 1.00 0.00 N ATOM 1017 CA LEU A 68 10.745 -5.184 -0.762 1.00 0.00 C ATOM 1018 C LEU A 68 11.738 -5.910 0.126 1.00 0.00 C ATOM 1019 O LEU A 68 11.537 -7.070 0.473 1.00 0.00 O ATOM 1020 CB LEU A 68 9.379 -5.853 -0.652 1.00 0.00 C ATOM 1021 CG LEU A 68 8.393 -5.555 -1.787 1.00 0.00 C ATOM 1022 CD1 LEU A 68 7.820 -6.850 -2.343 1.00 0.00 C ATOM 1023 CD2 LEU A 68 7.277 -4.641 -1.300 1.00 0.00 C ATOM 0 H LEU A 68 10.645 -5.733 -2.777 1.00 0.00 H new ATOM 0 HA LEU A 68 10.675 -4.152 -0.419 1.00 0.00 H new ATOM 0 HB2 LEU A 68 9.528 -6.932 -0.600 1.00 0.00 H new ATOM 0 HB3 LEU A 68 8.922 -5.548 0.289 1.00 0.00 H new ATOM 0 HG LEU A 68 8.929 -5.043 -2.586 1.00 0.00 H new ATOM 0 HD11 LEU A 68 7.121 -6.623 -3.148 1.00 0.00 H new ATOM 0 HD12 LEU A 68 8.629 -7.470 -2.729 1.00 0.00 H new ATOM 0 HD13 LEU A 68 7.298 -7.387 -1.551 1.00 0.00 H new ATOM 0 HD21 LEU A 68 6.587 -4.441 -2.120 1.00 0.00 H new ATOM 0 HD22 LEU A 68 6.740 -5.125 -0.484 1.00 0.00 H new ATOM 0 HD23 LEU A 68 7.704 -3.702 -0.947 1.00 0.00 H new ATOM 1035 N THR A 69 12.793 -5.211 0.527 1.00 0.00 N ATOM 1036 CA THR A 69 13.789 -5.799 1.410 1.00 0.00 C ATOM 1037 C THR A 69 13.094 -6.485 2.584 1.00 0.00 C ATOM 1038 O THR A 69 11.900 -6.286 2.803 1.00 0.00 O ATOM 1039 CB THR A 69 14.751 -4.724 1.917 1.00 0.00 C ATOM 1040 OG1 THR A 69 14.068 -3.777 2.719 1.00 0.00 O ATOM 1041 CG2 THR A 69 15.444 -3.969 0.803 1.00 0.00 C ATOM 0 H THR A 69 12.979 -4.245 0.257 1.00 0.00 H new ATOM 0 HA THR A 69 14.364 -6.540 0.854 1.00 0.00 H new ATOM 0 HB THR A 69 15.504 -5.259 2.495 1.00 0.00 H new ATOM 0 HG1 THR A 69 14.151 -4.027 3.663 1.00 0.00 H new ATOM 0 HG21 THR A 69 16.112 -3.221 1.231 1.00 0.00 H new ATOM 0 HG22 THR A 69 16.021 -4.666 0.195 1.00 0.00 H new ATOM 0 HG23 THR A 69 14.699 -3.475 0.180 1.00 0.00 H new ATOM 1049 N GLN A 70 13.836 -7.295 3.324 1.00 0.00 N ATOM 1050 CA GLN A 70 13.281 -8.017 4.468 1.00 0.00 C ATOM 1051 C GLN A 70 12.305 -7.148 5.269 1.00 0.00 C ATOM 1052 O GLN A 70 11.295 -7.638 5.792 1.00 0.00 O ATOM 1053 CB GLN A 70 14.420 -8.502 5.371 1.00 0.00 C ATOM 1054 CG GLN A 70 15.066 -7.398 6.197 1.00 0.00 C ATOM 1055 CD GLN A 70 15.704 -6.320 5.340 1.00 0.00 C ATOM 1056 OE1 GLN A 70 15.016 -5.492 4.746 1.00 0.00 O ATOM 1057 NE2 GLN A 70 17.028 -6.323 5.271 1.00 0.00 N ATOM 0 H GLN A 70 14.826 -7.472 3.155 1.00 0.00 H new ATOM 0 HA GLN A 70 12.722 -8.873 4.089 1.00 0.00 H new ATOM 0 HB2 GLN A 70 14.036 -9.268 6.044 1.00 0.00 H new ATOM 0 HB3 GLN A 70 15.184 -8.974 4.753 1.00 0.00 H new ATOM 0 HG2 GLN A 70 14.313 -6.945 6.842 1.00 0.00 H new ATOM 0 HG3 GLN A 70 15.823 -7.834 6.849 1.00 0.00 H new ATOM 0 HE21 GLN A 70 17.564 -7.027 5.779 1.00 0.00 H new ATOM 0 HE22 GLN A 70 17.511 -5.621 4.710 1.00 0.00 H new ATOM 1066 N GLU A 71 12.605 -5.855 5.343 1.00 0.00 N ATOM 1067 CA GLU A 71 11.766 -4.916 6.070 1.00 0.00 C ATOM 1068 C GLU A 71 10.403 -4.821 5.419 1.00 0.00 C ATOM 1069 O GLU A 71 9.375 -4.907 6.088 1.00 0.00 O ATOM 1070 CB GLU A 71 12.423 -3.536 6.116 1.00 0.00 C ATOM 1071 CG GLU A 71 12.121 -2.760 7.388 1.00 0.00 C ATOM 1072 CD GLU A 71 12.625 -3.464 8.632 1.00 0.00 C ATOM 1073 OE1 GLU A 71 11.915 -4.360 9.135 1.00 0.00 O ATOM 1074 OE2 GLU A 71 13.728 -3.119 9.105 1.00 0.00 O ATOM 0 H GLU A 71 13.426 -5.435 4.906 1.00 0.00 H new ATOM 0 HA GLU A 71 11.646 -5.278 7.091 1.00 0.00 H new ATOM 0 HB2 GLU A 71 13.502 -3.653 6.020 1.00 0.00 H new ATOM 0 HB3 GLU A 71 12.088 -2.954 5.257 1.00 0.00 H new ATOM 0 HG2 GLU A 71 12.577 -1.772 7.324 1.00 0.00 H new ATOM 0 HG3 GLU A 71 11.045 -2.609 7.471 1.00 0.00 H new ATOM 1081 N ASP A 72 10.405 -4.652 4.106 1.00 0.00 N ATOM 1082 CA ASP A 72 9.169 -4.554 3.358 1.00 0.00 C ATOM 1083 C ASP A 72 8.468 -5.911 3.305 1.00 0.00 C ATOM 1084 O ASP A 72 7.301 -6.022 3.660 1.00 0.00 O ATOM 1085 CB ASP A 72 9.439 -4.022 1.955 1.00 0.00 C ATOM 1086 CG ASP A 72 9.933 -2.589 1.966 1.00 0.00 C ATOM 1087 OD1 ASP A 72 9.513 -1.823 2.859 1.00 0.00 O ATOM 1088 OD2 ASP A 72 10.739 -2.231 1.081 1.00 0.00 O ATOM 0 H ASP A 72 11.250 -4.580 3.540 1.00 0.00 H new ATOM 0 HA ASP A 72 8.507 -3.852 3.865 1.00 0.00 H new ATOM 0 HB2 ASP A 72 10.179 -4.655 1.465 1.00 0.00 H new ATOM 0 HB3 ASP A 72 8.525 -4.084 1.364 1.00 0.00 H new ATOM 1093 N THR A 73 9.190 -6.952 2.887 1.00 0.00 N ATOM 1094 CA THR A 73 8.621 -8.303 2.826 1.00 0.00 C ATOM 1095 C THR A 73 7.851 -8.610 4.110 1.00 0.00 C ATOM 1096 O THR A 73 6.762 -9.192 4.078 1.00 0.00 O ATOM 1097 CB THR A 73 9.733 -9.336 2.631 1.00 0.00 C ATOM 1098 OG1 THR A 73 10.448 -9.079 1.437 1.00 0.00 O ATOM 1099 CG2 THR A 73 9.226 -10.761 2.564 1.00 0.00 C ATOM 0 H THR A 73 10.163 -6.889 2.587 1.00 0.00 H new ATOM 0 HA THR A 73 7.936 -8.353 1.980 1.00 0.00 H new ATOM 0 HB THR A 73 10.374 -9.239 3.507 1.00 0.00 H new ATOM 0 HG1 THR A 73 10.276 -8.160 1.144 1.00 0.00 H new ATOM 0 HG21 THR A 73 10.067 -11.440 2.425 1.00 0.00 H new ATOM 0 HG22 THR A 73 8.710 -11.008 3.492 1.00 0.00 H new ATOM 0 HG23 THR A 73 8.535 -10.862 1.727 1.00 0.00 H new ATOM 1107 N ALA A 74 8.411 -8.164 5.232 1.00 0.00 N ATOM 1108 CA ALA A 74 7.777 -8.345 6.535 1.00 0.00 C ATOM 1109 C ALA A 74 6.611 -7.390 6.621 1.00 0.00 C ATOM 1110 O ALA A 74 5.511 -7.738 7.051 1.00 0.00 O ATOM 1111 CB ALA A 74 8.772 -8.090 7.659 1.00 0.00 C ATOM 0 H ALA A 74 9.305 -7.674 5.265 1.00 0.00 H new ATOM 0 HA ALA A 74 7.427 -9.372 6.643 1.00 0.00 H new ATOM 0 HB1 ALA A 74 8.278 -8.230 8.621 1.00 0.00 H new ATOM 0 HB2 ALA A 74 9.605 -8.788 7.573 1.00 0.00 H new ATOM 0 HB3 ALA A 74 9.146 -7.069 7.589 1.00 0.00 H new ATOM 1117 N LYS A 75 6.872 -6.189 6.137 1.00 0.00 N ATOM 1118 CA LYS A 75 5.885 -5.134 6.058 1.00 0.00 C ATOM 1119 C LYS A 75 4.625 -5.691 5.383 1.00 0.00 C ATOM 1120 O LYS A 75 3.500 -5.490 5.855 1.00 0.00 O ATOM 1121 CB LYS A 75 6.502 -4.015 5.225 1.00 0.00 C ATOM 1122 CG LYS A 75 6.058 -2.605 5.549 1.00 0.00 C ATOM 1123 CD LYS A 75 6.921 -1.988 6.637 1.00 0.00 C ATOM 1124 CE LYS A 75 8.387 -1.937 6.234 1.00 0.00 C ATOM 1125 NZ LYS A 75 9.012 -0.630 6.575 1.00 0.00 N ATOM 0 H LYS A 75 7.790 -5.918 5.783 1.00 0.00 H new ATOM 0 HA LYS A 75 5.605 -4.755 7.041 1.00 0.00 H new ATOM 0 HB2 LYS A 75 7.585 -4.065 5.336 1.00 0.00 H new ATOM 0 HB3 LYS A 75 6.280 -4.209 4.176 1.00 0.00 H new ATOM 0 HG2 LYS A 75 6.109 -1.990 4.650 1.00 0.00 H new ATOM 0 HG3 LYS A 75 5.016 -2.615 5.870 1.00 0.00 H new ATOM 0 HD2 LYS A 75 6.568 -0.980 6.853 1.00 0.00 H new ATOM 0 HD3 LYS A 75 6.816 -2.566 7.555 1.00 0.00 H new ATOM 0 HE2 LYS A 75 8.929 -2.740 6.734 1.00 0.00 H new ATOM 0 HE3 LYS A 75 8.475 -2.113 5.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 10.010 -0.636 6.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 8.511 0.134 6.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 8.951 -0.473 7.601 1.00 0.00 H new ATOM 1139 N LEU A 76 4.838 -6.434 4.287 1.00 0.00 N ATOM 1140 CA LEU A 76 3.741 -7.062 3.558 1.00 0.00 C ATOM 1141 C LEU A 76 3.065 -8.095 4.446 1.00 0.00 C ATOM 1142 O LEU A 76 1.851 -8.049 4.656 1.00 0.00 O ATOM 1143 CB LEU A 76 4.229 -7.742 2.275 1.00 0.00 C ATOM 1144 CG LEU A 76 4.637 -6.790 1.148 1.00 0.00 C ATOM 1145 CD1 LEU A 76 6.149 -6.731 1.015 1.00 0.00 C ATOM 1146 CD2 LEU A 76 4.004 -7.220 -0.164 1.00 0.00 C ATOM 0 H LEU A 76 5.761 -6.611 3.891 1.00 0.00 H new ATOM 0 HA LEU A 76 3.034 -6.280 3.280 1.00 0.00 H new ATOM 0 HB2 LEU A 76 5.081 -8.376 2.520 1.00 0.00 H new ATOM 0 HB3 LEU A 76 3.440 -8.398 1.907 1.00 0.00 H new ATOM 0 HG LEU A 76 4.277 -5.791 1.396 1.00 0.00 H new ATOM 0 HD11 LEU A 76 6.417 -6.049 0.208 1.00 0.00 H new ATOM 0 HD12 LEU A 76 6.583 -6.376 1.950 1.00 0.00 H new ATOM 0 HD13 LEU A 76 6.534 -7.726 0.791 1.00 0.00 H new ATOM 0 HD21 LEU A 76 4.304 -6.533 -0.955 1.00 0.00 H new ATOM 0 HD22 LEU A 76 4.335 -8.228 -0.414 1.00 0.00 H new ATOM 0 HD23 LEU A 76 2.919 -7.208 -0.065 1.00 0.00 H new ATOM 1158 N LEU A 77 3.862 -9.030 4.982 1.00 0.00 N ATOM 1159 CA LEU A 77 3.319 -10.062 5.864 1.00 0.00 C ATOM 1160 C LEU A 77 2.448 -9.419 6.931 1.00 0.00 C ATOM 1161 O LEU A 77 1.385 -9.931 7.275 1.00 0.00 O ATOM 1162 CB LEU A 77 4.432 -10.876 6.536 1.00 0.00 C ATOM 1163 CG LEU A 77 5.647 -11.193 5.666 1.00 0.00 C ATOM 1164 CD1 LEU A 77 6.525 -12.235 6.341 1.00 0.00 C ATOM 1165 CD2 LEU A 77 5.220 -11.669 4.285 1.00 0.00 C ATOM 0 H LEU A 77 4.868 -9.090 4.822 1.00 0.00 H new ATOM 0 HA LEU A 77 2.724 -10.742 5.254 1.00 0.00 H new ATOM 0 HB2 LEU A 77 4.772 -10.331 7.417 1.00 0.00 H new ATOM 0 HB3 LEU A 77 4.006 -11.816 6.887 1.00 0.00 H new ATOM 0 HG LEU A 77 6.225 -10.277 5.543 1.00 0.00 H new ATOM 0 HD11 LEU A 77 7.386 -12.450 5.709 1.00 0.00 H new ATOM 0 HD12 LEU A 77 6.867 -11.854 7.303 1.00 0.00 H new ATOM 0 HD13 LEU A 77 5.952 -13.149 6.496 1.00 0.00 H new ATOM 0 HD21 LEU A 77 6.104 -11.888 3.686 1.00 0.00 H new ATOM 0 HD22 LEU A 77 4.615 -12.571 4.382 1.00 0.00 H new ATOM 0 HD23 LEU A 77 4.635 -10.890 3.797 1.00 0.00 H new ATOM 1177 N GLN A 78 2.903 -8.275 7.438 1.00 0.00 N ATOM 1178 CA GLN A 78 2.158 -7.543 8.450 1.00 0.00 C ATOM 1179 C GLN A 78 0.791 -7.156 7.903 1.00 0.00 C ATOM 1180 O GLN A 78 -0.241 -7.453 8.506 1.00 0.00 O ATOM 1181 CB GLN A 78 2.927 -6.292 8.881 1.00 0.00 C ATOM 1182 CG GLN A 78 3.852 -6.523 10.064 1.00 0.00 C ATOM 1183 CD GLN A 78 4.514 -5.246 10.546 1.00 0.00 C ATOM 1184 OE1 GLN A 78 4.109 -4.665 11.553 1.00 0.00 O ATOM 1185 NE2 GLN A 78 5.537 -4.802 9.826 1.00 0.00 N ATOM 0 H GLN A 78 3.783 -7.839 7.163 1.00 0.00 H new ATOM 0 HA GLN A 78 2.026 -8.184 9.322 1.00 0.00 H new ATOM 0 HB2 GLN A 78 3.514 -5.928 8.038 1.00 0.00 H new ATOM 0 HB3 GLN A 78 2.214 -5.508 9.136 1.00 0.00 H new ATOM 0 HG2 GLN A 78 3.285 -6.965 10.883 1.00 0.00 H new ATOM 0 HG3 GLN A 78 4.621 -7.243 9.784 1.00 0.00 H new ATOM 0 HE21 GLN A 78 5.839 -5.316 8.998 1.00 0.00 H new ATOM 0 HE22 GLN A 78 6.021 -3.947 10.101 1.00 0.00 H new ATOM 1194 N SER A 79 0.793 -6.500 6.745 1.00 0.00 N ATOM 1195 CA SER A 79 -0.451 -6.081 6.100 1.00 0.00 C ATOM 1196 C SER A 79 -1.451 -7.234 6.021 1.00 0.00 C ATOM 1197 O SER A 79 -2.620 -7.082 6.374 1.00 0.00 O ATOM 1198 CB SER A 79 -0.171 -5.556 4.689 1.00 0.00 C ATOM 1199 OG SER A 79 1.205 -5.667 4.366 1.00 0.00 O ATOM 0 H SER A 79 1.639 -6.247 6.234 1.00 0.00 H new ATOM 0 HA SER A 79 -0.883 -5.285 6.707 1.00 0.00 H new ATOM 0 HB2 SER A 79 -0.764 -6.116 3.965 1.00 0.00 H new ATOM 0 HB3 SER A 79 -0.481 -4.514 4.617 1.00 0.00 H new ATOM 0 HG SER A 79 1.368 -6.524 3.920 1.00 0.00 H new ATOM 1205 N THR A 80 -0.983 -8.381 5.539 1.00 0.00 N ATOM 1206 CA THR A 80 -1.836 -9.558 5.392 1.00 0.00 C ATOM 1207 C THR A 80 -2.144 -10.207 6.739 1.00 0.00 C ATOM 1208 O THR A 80 -3.306 -10.331 7.126 1.00 0.00 O ATOM 1209 CB THR A 80 -1.171 -10.575 4.465 1.00 0.00 C ATOM 1210 OG1 THR A 80 -0.173 -9.953 3.675 1.00 0.00 O ATOM 1211 CG2 THR A 80 -2.144 -11.253 3.525 1.00 0.00 C ATOM 0 H THR A 80 -0.017 -8.522 5.243 1.00 0.00 H new ATOM 0 HA THR A 80 -2.780 -9.229 4.957 1.00 0.00 H new ATOM 0 HB THR A 80 -0.741 -11.330 5.123 1.00 0.00 H new ATOM 0 HG1 THR A 80 0.050 -10.531 2.916 1.00 0.00 H new ATOM 0 HG21 THR A 80 -1.607 -11.962 2.895 1.00 0.00 H new ATOM 0 HG22 THR A 80 -2.901 -11.782 4.104 1.00 0.00 H new ATOM 0 HG23 THR A 80 -2.626 -10.503 2.898 1.00 0.00 H new ATOM 1219 N VAL A 81 -1.100 -10.630 7.446 1.00 0.00 N ATOM 1220 CA VAL A 81 -1.263 -11.278 8.745 1.00 0.00 C ATOM 1221 C VAL A 81 -2.146 -10.455 9.683 1.00 0.00 C ATOM 1222 O VAL A 81 -2.732 -10.991 10.623 1.00 0.00 O ATOM 1223 CB VAL A 81 0.099 -11.536 9.424 1.00 0.00 C ATOM 1224 CG1 VAL A 81 0.734 -10.233 9.890 1.00 0.00 C ATOM 1225 CG2 VAL A 81 -0.061 -12.505 10.586 1.00 0.00 C ATOM 0 H VAL A 81 -0.131 -10.536 7.141 1.00 0.00 H new ATOM 0 HA VAL A 81 -1.751 -12.233 8.552 1.00 0.00 H new ATOM 0 HB VAL A 81 0.765 -11.987 8.688 1.00 0.00 H new ATOM 0 HG11 VAL A 81 1.692 -10.445 10.365 1.00 0.00 H new ATOM 0 HG12 VAL A 81 0.890 -9.578 9.033 1.00 0.00 H new ATOM 0 HG13 VAL A 81 0.075 -9.743 10.606 1.00 0.00 H new ATOM 0 HG21 VAL A 81 0.909 -12.676 11.053 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -0.748 -12.083 11.320 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -0.458 -13.451 10.219 1.00 0.00 H new ATOM 1235 N LYS A 82 -2.233 -9.150 9.425 1.00 0.00 N ATOM 1236 CA LYS A 82 -3.041 -8.251 10.247 1.00 0.00 C ATOM 1237 C LYS A 82 -4.397 -8.870 10.586 1.00 0.00 C ATOM 1238 O LYS A 82 -4.866 -8.772 11.720 1.00 0.00 O ATOM 1239 CB LYS A 82 -3.245 -6.917 9.528 1.00 0.00 C ATOM 1240 CG LYS A 82 -3.160 -5.710 10.449 1.00 0.00 C ATOM 1241 CD LYS A 82 -4.328 -5.665 11.423 1.00 0.00 C ATOM 1242 CE LYS A 82 -5.178 -4.420 11.220 1.00 0.00 C ATOM 1243 NZ LYS A 82 -4.817 -3.336 12.176 1.00 0.00 N ATOM 0 H LYS A 82 -1.752 -8.692 8.651 1.00 0.00 H new ATOM 0 HA LYS A 82 -2.503 -8.081 11.180 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -2.495 -6.818 8.743 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -4.219 -6.923 9.039 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -2.223 -5.741 11.005 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -3.147 -4.797 9.853 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -4.946 -6.553 11.293 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -3.951 -5.686 12.446 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -5.054 -4.059 10.199 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -6.231 -4.676 11.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -5.625 -3.140 12.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -4.002 -3.635 12.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -4.572 -2.475 11.648 1.00 0.00 H new ATOM 1257 N HIS A 83 -5.019 -9.508 9.599 1.00 0.00 N ATOM 1258 CA HIS A 83 -6.318 -10.141 9.804 1.00 0.00 C ATOM 1259 C HIS A 83 -6.235 -11.654 9.574 1.00 0.00 C ATOM 1260 O HIS A 83 -5.939 -12.407 10.501 1.00 0.00 O ATOM 1261 CB HIS A 83 -7.371 -9.507 8.889 1.00 0.00 C ATOM 1262 CG HIS A 83 -8.736 -10.103 9.042 1.00 0.00 C ATOM 1263 ND1 HIS A 83 -9.110 -10.854 10.138 1.00 0.00 N ATOM 1264 CD2 HIS A 83 -9.821 -10.054 8.234 1.00 0.00 C ATOM 1265 CE1 HIS A 83 -10.366 -11.240 9.996 1.00 0.00 C ATOM 1266 NE2 HIS A 83 -10.820 -10.767 8.850 1.00 0.00 N ATOM 0 H HIS A 83 -4.647 -9.600 8.654 1.00 0.00 H new ATOM 0 HA HIS A 83 -6.618 -9.978 10.839 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -7.425 -8.438 9.097 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -7.051 -9.614 7.852 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -9.888 -9.548 7.282 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -10.926 -11.840 10.698 1.00 0.00 H new ATOM 0 HE2 HIS A 83 -11.761 -10.908 8.482 1.00 0.00 H new ATOM 1275 N ASN A 84 -6.491 -12.096 8.342 1.00 0.00 N ATOM 1276 CA ASN A 84 -6.438 -13.518 8.013 1.00 0.00 C ATOM 1277 C ASN A 84 -6.818 -13.755 6.554 1.00 0.00 C ATOM 1278 O ASN A 84 -7.995 -13.901 6.225 1.00 0.00 O ATOM 1279 CB ASN A 84 -7.374 -14.316 8.925 1.00 0.00 C ATOM 1280 CG ASN A 84 -8.810 -13.839 8.839 1.00 0.00 C ATOM 1281 OD1 ASN A 84 -9.106 -12.842 8.182 1.00 0.00 O ATOM 1282 ND2 ASN A 84 -9.710 -14.553 9.504 1.00 0.00 N ATOM 0 H ASN A 84 -6.736 -11.491 7.559 1.00 0.00 H new ATOM 0 HA ASN A 84 -5.414 -13.857 8.167 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -7.328 -15.371 8.655 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -7.028 -14.235 9.956 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -10.693 -14.282 9.483 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -9.419 -15.373 10.036 1.00 0.00 H new ATOM 1289 N LEU A 85 -5.814 -13.796 5.684 1.00 0.00 N ATOM 1290 CA LEU A 85 -6.046 -14.020 4.261 1.00 0.00 C ATOM 1291 C LEU A 85 -4.729 -14.044 3.493 1.00 0.00 C ATOM 1292 O LEU A 85 -3.652 -14.066 4.088 1.00 0.00 O ATOM 1293 CB LEU A 85 -6.963 -12.935 3.692 1.00 0.00 C ATOM 1294 CG LEU A 85 -8.017 -13.434 2.702 1.00 0.00 C ATOM 1295 CD1 LEU A 85 -9.274 -13.871 3.437 1.00 0.00 C ATOM 1296 CD2 LEU A 85 -8.342 -12.354 1.681 1.00 0.00 C ATOM 0 H LEU A 85 -4.833 -13.677 5.939 1.00 0.00 H new ATOM 0 HA LEU A 85 -6.531 -14.989 4.147 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -7.470 -12.438 4.519 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -6.348 -12.183 3.197 1.00 0.00 H new ATOM 0 HG LEU A 85 -7.612 -14.297 2.173 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -10.013 -14.223 2.717 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -9.029 -14.677 4.129 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -9.682 -13.027 3.993 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -9.093 -12.726 0.985 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -8.727 -11.473 2.194 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -7.438 -12.088 1.132 1.00 0.00 H new ATOM 1308 N ASN A 86 -4.823 -14.042 2.167 1.00 0.00 N ATOM 1309 CA ASN A 86 -3.638 -14.065 1.320 1.00 0.00 C ATOM 1310 C ASN A 86 -3.880 -13.305 0.020 1.00 0.00 C ATOM 1311 O ASN A 86 -3.950 -13.900 -1.056 1.00 0.00 O ATOM 1312 CB ASN A 86 -3.230 -15.508 1.016 1.00 0.00 C ATOM 1313 CG ASN A 86 -1.825 -15.604 0.457 1.00 0.00 C ATOM 1314 OD1 ASN A 86 -0.899 -16.032 1.146 1.00 0.00 O ATOM 1315 ND2 ASN A 86 -1.657 -15.204 -0.798 1.00 0.00 N ATOM 0 H ASN A 86 -5.706 -14.025 1.657 1.00 0.00 H new ATOM 0 HA ASN A 86 -2.828 -13.573 1.859 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -3.297 -16.102 1.928 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -3.932 -15.939 0.303 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -0.732 -15.245 -1.227 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -2.453 -14.856 -1.333 1.00 0.00 H new ATOM 1322 N ASN A 87 -4.004 -11.986 0.125 1.00 0.00 N ATOM 1323 CA ASN A 87 -4.234 -11.147 -1.044 1.00 0.00 C ATOM 1324 C ASN A 87 -2.930 -10.911 -1.799 1.00 0.00 C ATOM 1325 O ASN A 87 -2.887 -10.992 -3.029 1.00 0.00 O ATOM 1326 CB ASN A 87 -4.853 -9.810 -0.630 1.00 0.00 C ATOM 1327 CG ASN A 87 -3.921 -8.979 0.230 1.00 0.00 C ATOM 1328 OD1 ASN A 87 -3.833 -9.178 1.442 1.00 0.00 O ATOM 1329 ND2 ASN A 87 -3.220 -8.040 -0.395 1.00 0.00 N ATOM 0 H ASN A 87 -3.949 -11.476 1.007 1.00 0.00 H new ATOM 0 HA ASN A 87 -4.930 -11.665 -1.705 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -5.119 -9.244 -1.523 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -5.778 -9.995 -0.083 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -2.577 -7.449 0.131 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -3.325 -7.910 -1.401 1.00 0.00 H new ATOM 1336 N TYR A 88 -1.868 -10.600 -1.066 1.00 0.00 N ATOM 1337 CA TYR A 88 -0.592 -10.346 -1.675 1.00 0.00 C ATOM 1338 C TYR A 88 0.143 -11.630 -2.015 1.00 0.00 C ATOM 1339 O TYR A 88 0.293 -12.520 -1.178 1.00 0.00 O ATOM 1340 CB TYR A 88 0.280 -9.490 -0.749 1.00 0.00 C ATOM 1341 CG TYR A 88 0.957 -10.287 0.354 1.00 0.00 C ATOM 1342 CD1 TYR A 88 0.236 -11.179 1.140 1.00 0.00 C ATOM 1343 CD2 TYR A 88 2.317 -10.152 0.601 1.00 0.00 C ATOM 1344 CE1 TYR A 88 0.850 -11.911 2.138 1.00 0.00 C ATOM 1345 CE2 TYR A 88 2.938 -10.882 1.598 1.00 0.00 C ATOM 1346 CZ TYR A 88 2.199 -11.758 2.363 1.00 0.00 C ATOM 1347 OH TYR A 88 2.812 -12.487 3.355 1.00 0.00 O ATOM 0 H TYR A 88 -1.877 -10.520 -0.049 1.00 0.00 H new ATOM 0 HA TYR A 88 -0.782 -9.809 -2.604 1.00 0.00 H new ATOM 0 HB2 TYR A 88 1.043 -8.987 -1.344 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -0.337 -8.712 -0.298 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -0.823 -11.302 0.967 1.00 0.00 H new ATOM 0 HD2 TYR A 88 2.899 -9.465 0.004 1.00 0.00 H new ATOM 0 HE1 TYR A 88 0.274 -12.600 2.738 1.00 0.00 H new ATOM 0 HE2 TYR A 88 3.997 -10.766 1.776 1.00 0.00 H new ATOM 0 HH TYR A 88 3.299 -13.238 2.956 1.00 0.00 H new ATOM 1357 N ASP A 89 0.656 -11.687 -3.231 1.00 0.00 N ATOM 1358 CA ASP A 89 1.436 -12.802 -3.670 1.00 0.00 C ATOM 1359 C ASP A 89 2.864 -12.296 -3.686 1.00 0.00 C ATOM 1360 O ASP A 89 3.155 -11.224 -4.219 1.00 0.00 O ATOM 1361 CB ASP A 89 0.921 -13.264 -5.024 1.00 0.00 C ATOM 1362 CG ASP A 89 1.994 -13.796 -5.955 1.00 0.00 C ATOM 1363 OD1 ASP A 89 3.022 -14.302 -5.455 1.00 0.00 O ATOM 1364 OD2 ASP A 89 1.801 -13.715 -7.185 1.00 0.00 O ATOM 0 H ASP A 89 0.537 -10.956 -3.932 1.00 0.00 H new ATOM 0 HA ASP A 89 1.373 -13.679 -3.026 1.00 0.00 H new ATOM 0 HB2 ASP A 89 0.174 -14.042 -4.869 1.00 0.00 H new ATOM 0 HB3 ASP A 89 0.416 -12.430 -5.511 1.00 0.00 H new ATOM 1369 N LEU A 90 3.725 -12.995 -3.009 1.00 0.00 N ATOM 1370 CA LEU A 90 5.096 -12.516 -2.864 1.00 0.00 C ATOM 1371 C LEU A 90 6.177 -13.462 -3.371 1.00 0.00 C ATOM 1372 O LEU A 90 6.214 -14.649 -3.045 1.00 0.00 O ATOM 1373 CB LEU A 90 5.373 -12.174 -1.387 1.00 0.00 C ATOM 1374 CG LEU A 90 5.504 -10.679 -1.058 1.00 0.00 C ATOM 1375 CD1 LEU A 90 6.020 -10.495 0.360 1.00 0.00 C ATOM 1376 CD2 LEU A 90 6.424 -9.986 -2.053 1.00 0.00 C ATOM 0 H LEU A 90 3.523 -13.884 -2.551 1.00 0.00 H new ATOM 0 HA LEU A 90 5.157 -11.634 -3.502 1.00 0.00 H new ATOM 0 HB2 LEU A 90 4.569 -12.591 -0.781 1.00 0.00 H new ATOM 0 HB3 LEU A 90 6.293 -12.675 -1.084 1.00 0.00 H new ATOM 0 HG LEU A 90 4.517 -10.223 -1.133 1.00 0.00 H new ATOM 0 HD11 LEU A 90 6.108 -9.431 0.580 1.00 0.00 H new ATOM 0 HD12 LEU A 90 5.325 -10.954 1.063 1.00 0.00 H new ATOM 0 HD13 LEU A 90 6.998 -10.967 0.456 1.00 0.00 H new ATOM 0 HD21 LEU A 90 6.502 -8.928 -1.801 1.00 0.00 H new ATOM 0 HD22 LEU A 90 7.413 -10.443 -2.013 1.00 0.00 H new ATOM 0 HD23 LEU A 90 6.017 -10.090 -3.059 1.00 0.00 H new ATOM 1388 N ARG A 91 7.105 -12.857 -4.103 1.00 0.00 N ATOM 1389 CA ARG A 91 8.290 -13.519 -4.617 1.00 0.00 C ATOM 1390 C ARG A 91 9.440 -12.625 -4.198 1.00 0.00 C ATOM 1391 O ARG A 91 9.591 -11.519 -4.718 1.00 0.00 O ATOM 1392 CB ARG A 91 8.239 -13.672 -6.139 1.00 0.00 C ATOM 1393 CG ARG A 91 9.101 -14.812 -6.658 1.00 0.00 C ATOM 1394 CD ARG A 91 9.610 -14.537 -8.064 1.00 0.00 C ATOM 1395 NE ARG A 91 9.870 -15.770 -8.803 1.00 0.00 N ATOM 1396 CZ ARG A 91 10.867 -16.607 -8.521 1.00 0.00 C ATOM 1397 NH1 ARG A 91 11.701 -16.345 -7.522 1.00 0.00 N ATOM 1398 NH2 ARG A 91 11.030 -17.709 -9.241 1.00 0.00 N ATOM 0 H ARG A 91 7.050 -11.871 -4.359 1.00 0.00 H new ATOM 0 HA ARG A 91 8.387 -14.532 -4.227 1.00 0.00 H new ATOM 0 HB2 ARG A 91 7.206 -13.838 -6.446 1.00 0.00 H new ATOM 0 HB3 ARG A 91 8.564 -12.740 -6.602 1.00 0.00 H new ATOM 0 HG2 ARG A 91 9.947 -14.963 -5.988 1.00 0.00 H new ATOM 0 HG3 ARG A 91 8.523 -15.736 -6.654 1.00 0.00 H new ATOM 0 HD2 ARG A 91 8.877 -13.938 -8.604 1.00 0.00 H new ATOM 0 HD3 ARG A 91 10.525 -13.947 -8.009 1.00 0.00 H new ATOM 0 HE ARG A 91 9.252 -16.004 -9.580 1.00 0.00 H new ATOM 0 HH11 ARG A 91 11.580 -15.499 -6.965 1.00 0.00 H new ATOM 0 HH12 ARG A 91 12.463 -16.990 -7.311 1.00 0.00 H new ATOM 0 HH21 ARG A 91 10.392 -17.915 -10.010 1.00 0.00 H new ATOM 0 HH22 ARG A 91 11.793 -18.351 -9.026 1.00 0.00 H new ATOM 1412 N SER A 92 10.182 -13.042 -3.184 1.00 0.00 N ATOM 1413 CA SER A 92 11.222 -12.186 -2.639 1.00 0.00 C ATOM 1414 C SER A 92 12.645 -12.551 -3.018 1.00 0.00 C ATOM 1415 O SER A 92 12.955 -13.648 -3.484 1.00 0.00 O ATOM 1416 CB SER A 92 11.116 -12.149 -1.117 1.00 0.00 C ATOM 1417 OG SER A 92 9.764 -12.057 -0.700 1.00 0.00 O ATOM 0 H SER A 92 10.087 -13.950 -2.729 1.00 0.00 H new ATOM 0 HA SER A 92 11.037 -11.211 -3.090 1.00 0.00 H new ATOM 0 HB2 SER A 92 11.569 -13.047 -0.696 1.00 0.00 H new ATOM 0 HB3 SER A 92 11.677 -11.298 -0.731 1.00 0.00 H new ATOM 0 HG SER A 92 9.710 -12.197 0.268 1.00 0.00 H new ATOM 1423 N VAL A 93 13.491 -11.568 -2.751 1.00 0.00 N ATOM 1424 CA VAL A 93 14.925 -11.614 -2.961 1.00 0.00 C ATOM 1425 C VAL A 93 15.586 -11.232 -1.631 1.00 0.00 C ATOM 1426 O VAL A 93 16.667 -10.633 -1.570 1.00 0.00 O ATOM 1427 CB VAL A 93 15.352 -10.598 -4.014 1.00 0.00 C ATOM 1428 CG1 VAL A 93 16.407 -11.176 -4.940 1.00 0.00 C ATOM 1429 CG2 VAL A 93 14.161 -10.086 -4.819 1.00 0.00 C ATOM 0 H VAL A 93 13.180 -10.677 -2.364 1.00 0.00 H new ATOM 0 HA VAL A 93 15.217 -12.609 -3.298 1.00 0.00 H new ATOM 0 HB VAL A 93 15.787 -9.751 -3.483 1.00 0.00 H new ATOM 0 HG11 VAL A 93 16.691 -10.428 -5.680 1.00 0.00 H new ATOM 0 HG12 VAL A 93 17.283 -11.463 -4.359 1.00 0.00 H new ATOM 0 HG13 VAL A 93 16.005 -12.053 -5.447 1.00 0.00 H new ATOM 0 HG21 VAL A 93 14.506 -9.364 -5.559 1.00 0.00 H new ATOM 0 HG22 VAL A 93 13.677 -10.922 -5.325 1.00 0.00 H new ATOM 0 HG23 VAL A 93 13.448 -9.606 -4.149 1.00 0.00 H new ATOM 1439 N GLY A 94 14.822 -11.530 -0.594 1.00 0.00 N ATOM 1440 CA GLY A 94 15.142 -11.250 0.802 1.00 0.00 C ATOM 1441 C GLY A 94 16.489 -10.615 1.048 1.00 0.00 C ATOM 1442 O GLY A 94 16.563 -9.533 1.628 1.00 0.00 O ATOM 0 H GLY A 94 13.921 -11.995 -0.703 1.00 0.00 H new ATOM 0 HA2 GLY A 94 14.372 -10.594 1.208 1.00 0.00 H new ATOM 0 HA3 GLY A 94 15.093 -12.184 1.362 1.00 0.00 H new ATOM 1446 N ASN A 95 17.553 -11.290 0.636 1.00 0.00 N ATOM 1447 CA ASN A 95 18.899 -10.778 0.843 1.00 0.00 C ATOM 1448 C ASN A 95 19.113 -9.464 0.095 1.00 0.00 C ATOM 1449 O ASN A 95 19.979 -9.368 -0.775 1.00 0.00 O ATOM 1450 CB ASN A 95 19.937 -11.813 0.404 1.00 0.00 C ATOM 1451 CG ASN A 95 20.387 -12.700 1.550 1.00 0.00 C ATOM 1452 OD1 ASN A 95 20.423 -13.924 1.424 1.00 0.00 O ATOM 1453 ND2 ASN A 95 20.734 -12.086 2.676 1.00 0.00 N ATOM 0 H ASN A 95 17.510 -12.190 0.158 1.00 0.00 H new ATOM 0 HA ASN A 95 19.023 -10.583 1.908 1.00 0.00 H new ATOM 0 HB2 ASN A 95 19.517 -12.432 -0.388 1.00 0.00 H new ATOM 0 HB3 ASN A 95 20.802 -11.301 -0.017 1.00 0.00 H new ATOM 0 HD21 ASN A 95 21.045 -12.632 3.479 1.00 0.00 H new ATOM 0 HD22 ASN A 95 20.689 -11.069 2.737 1.00 0.00 H new ATOM 1460 N GLY A 96 18.335 -8.445 0.456 1.00 0.00 N ATOM 1461 CA GLY A 96 18.478 -7.152 -0.173 1.00 0.00 C ATOM 1462 C GLY A 96 17.234 -6.658 -0.897 1.00 0.00 C ATOM 1463 O GLY A 96 17.095 -5.452 -1.102 1.00 0.00 O ATOM 0 H GLY A 96 17.611 -8.497 1.172 1.00 0.00 H new ATOM 0 HA2 GLY A 96 18.754 -6.421 0.587 1.00 0.00 H new ATOM 0 HA3 GLY A 96 19.302 -7.198 -0.885 1.00 0.00 H new ATOM 1467 N ASN A 97 16.336 -7.554 -1.324 1.00 0.00 N ATOM 1468 CA ASN A 97 15.152 -7.103 -2.054 1.00 0.00 C ATOM 1469 C ASN A 97 14.093 -8.174 -2.147 1.00 0.00 C ATOM 1470 O ASN A 97 14.333 -9.326 -1.842 1.00 0.00 O ATOM 1471 CB ASN A 97 15.509 -6.646 -3.465 1.00 0.00 C ATOM 1472 CG ASN A 97 16.725 -7.351 -4.042 1.00 0.00 C ATOM 1473 OD1 ASN A 97 16.600 -8.325 -4.782 1.00 0.00 O ATOM 1474 ND2 ASN A 97 17.911 -6.848 -3.719 1.00 0.00 N ATOM 0 H ASN A 97 16.403 -8.562 -1.182 1.00 0.00 H new ATOM 0 HA ASN A 97 14.753 -6.264 -1.485 1.00 0.00 H new ATOM 0 HB2 ASN A 97 14.655 -6.817 -4.120 1.00 0.00 H new ATOM 0 HB3 ASN A 97 15.693 -5.572 -3.455 1.00 0.00 H new ATOM 0 HD21 ASN A 97 18.762 -7.271 -4.088 1.00 0.00 H new ATOM 0 HD22 ASN A 97 17.971 -6.038 -3.102 1.00 0.00 H new ATOM 1481 N SER A 98 12.915 -7.772 -2.584 1.00 0.00 N ATOM 1482 CA SER A 98 11.815 -8.688 -2.751 1.00 0.00 C ATOM 1483 C SER A 98 10.855 -8.133 -3.787 1.00 0.00 C ATOM 1484 O SER A 98 10.649 -6.923 -3.879 1.00 0.00 O ATOM 1485 CB SER A 98 11.125 -8.953 -1.421 1.00 0.00 C ATOM 1486 OG SER A 98 12.080 -9.154 -0.393 1.00 0.00 O ATOM 0 H SER A 98 12.699 -6.806 -2.831 1.00 0.00 H new ATOM 0 HA SER A 98 12.189 -9.648 -3.107 1.00 0.00 H new ATOM 0 HB2 SER A 98 10.480 -8.112 -1.166 1.00 0.00 H new ATOM 0 HB3 SER A 98 10.485 -9.831 -1.506 1.00 0.00 H new ATOM 0 HG SER A 98 11.756 -8.749 0.438 1.00 0.00 H new ATOM 1492 N VAL A 99 10.306 -9.019 -4.593 1.00 0.00 N ATOM 1493 CA VAL A 99 9.408 -8.621 -5.659 1.00 0.00 C ATOM 1494 C VAL A 99 7.959 -8.923 -5.289 1.00 0.00 C ATOM 1495 O VAL A 99 7.646 -10.004 -4.783 1.00 0.00 O ATOM 1496 CB VAL A 99 9.801 -9.349 -6.956 1.00 0.00 C ATOM 1497 CG1 VAL A 99 8.819 -9.068 -8.077 1.00 0.00 C ATOM 1498 CG2 VAL A 99 11.211 -8.957 -7.372 1.00 0.00 C ATOM 0 H VAL A 99 10.467 -10.024 -4.530 1.00 0.00 H new ATOM 0 HA VAL A 99 9.493 -7.545 -5.812 1.00 0.00 H new ATOM 0 HB VAL A 99 9.773 -10.420 -6.758 1.00 0.00 H new ATOM 0 HG11 VAL A 99 9.131 -9.600 -8.976 1.00 0.00 H new ATOM 0 HG12 VAL A 99 7.825 -9.405 -7.783 1.00 0.00 H new ATOM 0 HG13 VAL A 99 8.794 -7.997 -8.279 1.00 0.00 H new ATOM 0 HG21 VAL A 99 11.477 -9.479 -8.291 1.00 0.00 H new ATOM 0 HG22 VAL A 99 11.255 -7.881 -7.540 1.00 0.00 H new ATOM 0 HG23 VAL A 99 11.912 -9.230 -6.583 1.00 0.00 H new ATOM 1508 N LEU A 100 7.080 -7.946 -5.514 1.00 0.00 N ATOM 1509 CA LEU A 100 5.677 -8.105 -5.165 1.00 0.00 C ATOM 1510 C LEU A 100 4.774 -8.357 -6.356 1.00 0.00 C ATOM 1511 O LEU A 100 4.611 -7.511 -7.235 1.00 0.00 O ATOM 1512 CB LEU A 100 5.149 -6.891 -4.418 1.00 0.00 C ATOM 1513 CG LEU A 100 3.717 -7.030 -3.863 1.00 0.00 C ATOM 1514 CD1 LEU A 100 2.695 -7.017 -4.977 1.00 0.00 C ATOM 1515 CD2 LEU A 100 3.587 -8.305 -3.046 1.00 0.00 C ATOM 0 H LEU A 100 7.316 -7.046 -5.932 1.00 0.00 H new ATOM 0 HA LEU A 100 5.651 -8.989 -4.528 1.00 0.00 H new ATOM 0 HB2 LEU A 100 5.823 -6.674 -3.589 1.00 0.00 H new ATOM 0 HB3 LEU A 100 5.180 -6.031 -5.087 1.00 0.00 H new ATOM 0 HG LEU A 100 3.524 -6.174 -3.216 1.00 0.00 H new ATOM 0 HD11 LEU A 100 1.695 -7.117 -4.555 1.00 0.00 H new ATOM 0 HD12 LEU A 100 2.766 -6.077 -5.525 1.00 0.00 H new ATOM 0 HD13 LEU A 100 2.886 -7.848 -5.656 1.00 0.00 H new ATOM 0 HD21 LEU A 100 2.571 -8.389 -2.661 1.00 0.00 H new ATOM 0 HD22 LEU A 100 3.808 -9.166 -3.677 1.00 0.00 H new ATOM 0 HD23 LEU A 100 4.289 -8.276 -2.213 1.00 0.00 H new ATOM 1527 N VAL A 101 4.106 -9.491 -6.296 1.00 0.00 N ATOM 1528 CA VAL A 101 3.104 -9.863 -7.269 1.00 0.00 C ATOM 1529 C VAL A 101 1.868 -10.122 -6.430 1.00 0.00 C ATOM 1530 O VAL A 101 1.801 -11.089 -5.690 1.00 0.00 O ATOM 1531 CB VAL A 101 3.508 -11.108 -8.096 1.00 0.00 C ATOM 1532 CG1 VAL A 101 4.119 -12.177 -7.204 1.00 0.00 C ATOM 1533 CG2 VAL A 101 2.319 -11.662 -8.874 1.00 0.00 C ATOM 0 H VAL A 101 4.246 -10.186 -5.563 1.00 0.00 H new ATOM 0 HA VAL A 101 2.954 -9.086 -8.019 1.00 0.00 H new ATOM 0 HB VAL A 101 4.263 -10.798 -8.818 1.00 0.00 H new ATOM 0 HG11 VAL A 101 4.394 -13.041 -7.808 1.00 0.00 H new ATOM 0 HG12 VAL A 101 5.008 -11.778 -6.715 1.00 0.00 H new ATOM 0 HG13 VAL A 101 3.393 -12.479 -6.449 1.00 0.00 H new ATOM 0 HG21 VAL A 101 2.633 -12.536 -9.445 1.00 0.00 H new ATOM 0 HG22 VAL A 101 1.530 -11.948 -8.178 1.00 0.00 H new ATOM 0 HG23 VAL A 101 1.943 -10.899 -9.556 1.00 0.00 H new ATOM 1543 N SER A 102 0.936 -9.203 -6.436 1.00 0.00 N ATOM 1544 CA SER A 102 -0.195 -9.348 -5.550 1.00 0.00 C ATOM 1545 C SER A 102 -1.484 -8.862 -6.124 1.00 0.00 C ATOM 1546 O SER A 102 -1.525 -8.100 -7.088 1.00 0.00 O ATOM 1547 CB SER A 102 0.076 -8.556 -4.265 1.00 0.00 C ATOM 1548 OG SER A 102 -1.122 -8.044 -3.695 1.00 0.00 O ATOM 0 H SER A 102 0.933 -8.370 -7.024 1.00 0.00 H new ATOM 0 HA SER A 102 -0.304 -10.417 -5.368 1.00 0.00 H new ATOM 0 HB2 SER A 102 0.577 -9.199 -3.541 1.00 0.00 H new ATOM 0 HB3 SER A 102 0.755 -7.732 -4.483 1.00 0.00 H new ATOM 0 HG SER A 102 -0.909 -7.547 -2.878 1.00 0.00 H new ATOM 1554 N LEU A 103 -2.532 -9.273 -5.439 1.00 0.00 N ATOM 1555 CA LEU A 103 -3.865 -8.863 -5.746 1.00 0.00 C ATOM 1556 C LEU A 103 -4.868 -9.796 -5.119 1.00 0.00 C ATOM 1557 O LEU A 103 -5.403 -9.510 -4.047 1.00 0.00 O ATOM 1558 CB LEU A 103 -4.102 -8.680 -7.246 1.00 0.00 C ATOM 1559 CG LEU A 103 -4.081 -7.215 -7.730 1.00 0.00 C ATOM 1560 CD1 LEU A 103 -5.471 -6.750 -8.118 1.00 0.00 C ATOM 1561 CD2 LEU A 103 -3.515 -6.270 -6.672 1.00 0.00 C ATOM 0 H LEU A 103 -2.469 -9.910 -4.645 1.00 0.00 H new ATOM 0 HA LEU A 103 -4.007 -7.875 -5.307 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -3.341 -9.239 -7.791 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -5.066 -9.119 -7.504 1.00 0.00 H new ATOM 0 HG LEU A 103 -3.430 -7.187 -8.603 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -5.427 -5.714 -8.455 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -5.853 -7.378 -8.923 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -6.133 -6.823 -7.255 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -3.519 -5.250 -7.056 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -4.128 -6.322 -5.772 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -2.493 -6.563 -6.432 1.00 0.00 H new ATOM 1573 N ARG A 104 -5.113 -10.911 -5.768 1.00 0.00 N ATOM 1574 CA ARG A 104 -6.056 -11.889 -5.241 1.00 0.00 C ATOM 1575 C ARG A 104 -7.335 -11.182 -4.790 1.00 0.00 C ATOM 1576 O ARG A 104 -7.980 -11.596 -3.830 1.00 0.00 O ATOM 1577 CB ARG A 104 -5.404 -12.619 -4.063 1.00 0.00 C ATOM 1578 CG ARG A 104 -4.911 -14.015 -4.402 1.00 0.00 C ATOM 1579 CD ARG A 104 -3.839 -13.977 -5.481 1.00 0.00 C ATOM 1580 NE ARG A 104 -2.646 -14.728 -5.096 1.00 0.00 N ATOM 1581 CZ ARG A 104 -2.626 -16.045 -4.913 1.00 0.00 C ATOM 1582 NH1 ARG A 104 -3.733 -16.761 -5.066 1.00 0.00 N ATOM 1583 NH2 ARG A 104 -1.495 -16.650 -4.572 1.00 0.00 N ATOM 0 H ARG A 104 -4.680 -11.168 -6.655 1.00 0.00 H new ATOM 0 HA ARG A 104 -6.316 -12.612 -6.014 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -4.565 -12.026 -3.700 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -6.123 -12.686 -3.247 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -4.511 -14.489 -3.506 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -5.748 -14.626 -4.739 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -4.242 -14.387 -6.407 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -3.566 -12.942 -5.684 1.00 0.00 H new ATOM 0 HE ARG A 104 -1.777 -14.211 -4.960 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -4.606 -16.301 -5.325 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -3.711 -17.771 -4.924 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -0.642 -16.105 -4.450 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -1.479 -17.660 -4.432 1.00 0.00 H new ATOM 1597 N SER A 105 -7.648 -10.085 -5.495 1.00 0.00 N ATOM 1598 CA SER A 105 -8.804 -9.223 -5.225 1.00 0.00 C ATOM 1599 C SER A 105 -8.323 -7.778 -5.157 1.00 0.00 C ATOM 1600 O SER A 105 -7.119 -7.533 -5.080 1.00 0.00 O ATOM 1601 CB SER A 105 -9.540 -9.614 -3.945 1.00 0.00 C ATOM 1602 OG SER A 105 -10.199 -10.861 -4.094 1.00 0.00 O ATOM 0 H SER A 105 -7.090 -9.767 -6.287 1.00 0.00 H new ATOM 0 HA SER A 105 -9.524 -9.344 -6.034 1.00 0.00 H new ATOM 0 HB2 SER A 105 -8.832 -9.670 -3.118 1.00 0.00 H new ATOM 0 HB3 SER A 105 -10.267 -8.843 -3.690 1.00 0.00 H new ATOM 0 HG SER A 105 -9.544 -11.587 -4.026 1.00 0.00 H new ATOM 1608 N ASP A 106 -9.240 -6.817 -5.229 1.00 0.00 N ATOM 1609 CA ASP A 106 -8.836 -5.414 -5.219 1.00 0.00 C ATOM 1610 C ASP A 106 -9.106 -4.719 -3.886 1.00 0.00 C ATOM 1611 O ASP A 106 -10.229 -4.308 -3.600 1.00 0.00 O ATOM 1612 CB ASP A 106 -9.569 -4.678 -6.339 1.00 0.00 C ATOM 1613 CG ASP A 106 -8.624 -3.931 -7.259 1.00 0.00 C ATOM 1614 OD1 ASP A 106 -8.085 -4.560 -8.194 1.00 0.00 O ATOM 1615 OD2 ASP A 106 -8.420 -2.718 -7.043 1.00 0.00 O ATOM 0 H ASP A 106 -10.245 -6.977 -5.293 1.00 0.00 H new ATOM 0 HA ASP A 106 -7.757 -5.386 -5.372 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -10.148 -5.394 -6.922 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -10.278 -3.974 -5.903 1.00 0.00 H new ATOM 1620 N GLN A 107 -8.045 -4.553 -3.102 1.00 0.00 N ATOM 1621 CA GLN A 107 -8.113 -3.857 -1.821 1.00 0.00 C ATOM 1622 C GLN A 107 -6.711 -3.606 -1.296 1.00 0.00 C ATOM 1623 O GLN A 107 -5.761 -4.258 -1.726 1.00 0.00 O ATOM 1624 CB GLN A 107 -8.927 -4.640 -0.806 1.00 0.00 C ATOM 1625 CG GLN A 107 -10.332 -4.086 -0.604 1.00 0.00 C ATOM 1626 CD GLN A 107 -11.031 -4.679 0.602 1.00 0.00 C ATOM 1627 OE1 GLN A 107 -10.744 -5.939 0.885 1.00 0.00 O flip ATOM 1628 NE2 GLN A 107 -11.808 -4.008 1.279 1.00 0.00 N flip ATOM 0 H GLN A 107 -7.114 -4.897 -3.337 1.00 0.00 H new ATOM 0 HA GLN A 107 -8.614 -2.902 -1.979 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -8.996 -5.679 -1.130 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -8.402 -4.638 0.149 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -10.277 -3.003 -0.490 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -10.927 -4.283 -1.496 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -12.001 -3.039 1.024 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -12.260 -4.420 2.095 1.00 0.00 H new ATOM 1637 N MET A 108 -6.576 -2.694 -0.347 1.00 0.00 N ATOM 1638 CA MET A 108 -5.270 -2.421 0.229 1.00 0.00 C ATOM 1639 C MET A 108 -5.373 -1.635 1.530 1.00 0.00 C ATOM 1640 O MET A 108 -6.267 -0.809 1.705 1.00 0.00 O ATOM 1641 CB MET A 108 -4.392 -1.667 -0.768 1.00 0.00 C ATOM 1642 CG MET A 108 -2.928 -2.076 -0.719 1.00 0.00 C ATOM 1643 SD MET A 108 -2.614 -3.645 -1.553 1.00 0.00 S ATOM 1644 CE MET A 108 -2.820 -4.796 -0.198 1.00 0.00 C ATOM 0 H MET A 108 -7.341 -2.138 0.036 1.00 0.00 H new ATOM 0 HA MET A 108 -4.812 -3.383 0.457 1.00 0.00 H new ATOM 0 HB2 MET A 108 -4.774 -1.834 -1.775 1.00 0.00 H new ATOM 0 HB3 MET A 108 -4.469 -0.598 -0.571 1.00 0.00 H new ATOM 0 HG2 MET A 108 -2.322 -1.296 -1.180 1.00 0.00 H new ATOM 0 HG3 MET A 108 -2.611 -2.152 0.321 1.00 0.00 H new ATOM 0 HE1 MET A 108 -1.964 -5.470 -0.160 1.00 0.00 H new ATOM 0 HE2 MET A 108 -2.890 -4.245 0.740 1.00 0.00 H new ATOM 0 HE3 MET A 108 -3.731 -5.375 -0.348 1.00 0.00 H new ATOM 1654 N THR A 109 -4.436 -1.900 2.435 1.00 0.00 N ATOM 1655 CA THR A 109 -4.392 -1.223 3.724 1.00 0.00 C ATOM 1656 C THR A 109 -3.208 -0.264 3.779 1.00 0.00 C ATOM 1657 O THR A 109 -2.295 -0.350 2.958 1.00 0.00 O ATOM 1658 CB THR A 109 -4.278 -2.246 4.856 1.00 0.00 C ATOM 1659 OG1 THR A 109 -3.715 -3.455 4.382 1.00 0.00 O ATOM 1660 CG2 THR A 109 -5.603 -2.581 5.504 1.00 0.00 C ATOM 0 H THR A 109 -3.692 -2.584 2.296 1.00 0.00 H new ATOM 0 HA THR A 109 -5.315 -0.656 3.847 1.00 0.00 H new ATOM 0 HB THR A 109 -3.639 -1.775 5.603 1.00 0.00 H new ATOM 0 HG1 THR A 109 -4.427 -4.036 4.042 1.00 0.00 H new ATOM 0 HG21 THR A 109 -5.446 -3.312 6.297 1.00 0.00 H new ATOM 0 HG22 THR A 109 -6.041 -1.676 5.926 1.00 0.00 H new ATOM 0 HG23 THR A 109 -6.279 -2.997 4.757 1.00 0.00 H new ATOM 1668 N LEU A 110 -3.216 0.641 4.755 1.00 0.00 N ATOM 1669 CA LEU A 110 -2.127 1.600 4.913 1.00 0.00 C ATOM 1670 C LEU A 110 -0.787 0.878 4.908 1.00 0.00 C ATOM 1671 O LEU A 110 0.111 1.206 4.133 1.00 0.00 O ATOM 1672 CB LEU A 110 -2.285 2.379 6.221 1.00 0.00 C ATOM 1673 CG LEU A 110 -3.249 3.563 6.164 1.00 0.00 C ATOM 1674 CD1 LEU A 110 -4.138 3.589 7.397 1.00 0.00 C ATOM 1675 CD2 LEU A 110 -2.480 4.869 6.032 1.00 0.00 C ATOM 0 H LEU A 110 -3.962 0.730 5.445 1.00 0.00 H new ATOM 0 HA LEU A 110 -2.162 2.300 4.078 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -2.626 1.691 6.995 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -1.305 2.744 6.528 1.00 0.00 H new ATOM 0 HG LEU A 110 -3.885 3.447 5.286 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -4.817 4.439 7.338 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -4.715 2.666 7.449 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -3.519 3.680 8.290 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -3.182 5.702 5.993 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -1.820 4.991 6.891 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -1.887 4.851 5.118 1.00 0.00 H new ATOM 1687 N GLN A 111 -0.667 -0.112 5.786 1.00 0.00 N ATOM 1688 CA GLN A 111 0.555 -0.898 5.899 1.00 0.00 C ATOM 1689 C GLN A 111 1.002 -1.431 4.533 1.00 0.00 C ATOM 1690 O GLN A 111 2.052 -1.044 4.021 1.00 0.00 O ATOM 1691 CB GLN A 111 0.334 -2.055 6.881 1.00 0.00 C ATOM 1692 CG GLN A 111 1.255 -3.243 6.661 1.00 0.00 C ATOM 1693 CD GLN A 111 2.691 -2.837 6.416 1.00 0.00 C ATOM 1694 OE1 GLN A 111 3.233 -3.078 5.338 1.00 0.00 O ATOM 1695 NE2 GLN A 111 3.309 -2.209 7.411 1.00 0.00 N ATOM 0 H GLN A 111 -1.405 -0.390 6.433 1.00 0.00 H new ATOM 0 HA GLN A 111 1.348 -0.252 6.276 1.00 0.00 H new ATOM 0 HB2 GLN A 111 0.472 -1.686 7.897 1.00 0.00 H new ATOM 0 HB3 GLN A 111 -0.700 -2.391 6.802 1.00 0.00 H new ATOM 0 HG2 GLN A 111 1.211 -3.897 7.532 1.00 0.00 H new ATOM 0 HG3 GLN A 111 0.896 -3.822 5.810 1.00 0.00 H new ATOM 0 HE21 GLN A 111 2.816 -2.032 8.287 1.00 0.00 H new ATOM 0 HE22 GLN A 111 4.276 -1.904 7.299 1.00 0.00 H new ATOM 1704 N ASP A 112 0.201 -2.321 3.951 1.00 0.00 N ATOM 1705 CA ASP A 112 0.519 -2.906 2.646 1.00 0.00 C ATOM 1706 C ASP A 112 0.864 -1.817 1.634 1.00 0.00 C ATOM 1707 O ASP A 112 1.870 -1.896 0.914 1.00 0.00 O ATOM 1708 CB ASP A 112 -0.660 -3.738 2.136 1.00 0.00 C ATOM 1709 CG ASP A 112 -0.223 -5.082 1.587 1.00 0.00 C ATOM 1710 OD1 ASP A 112 0.874 -5.153 0.994 1.00 0.00 O ATOM 1711 OD2 ASP A 112 -0.977 -6.064 1.751 1.00 0.00 O ATOM 0 H ASP A 112 -0.672 -2.654 4.360 1.00 0.00 H new ATOM 0 HA ASP A 112 1.387 -3.555 2.766 1.00 0.00 H new ATOM 0 HB2 ASP A 112 -1.370 -3.894 2.948 1.00 0.00 H new ATOM 0 HB3 ASP A 112 -1.183 -3.183 1.357 1.00 0.00 H new ATOM 1716 N ALA A 113 0.025 -0.792 1.592 1.00 0.00 N ATOM 1717 CA ALA A 113 0.232 0.324 0.687 1.00 0.00 C ATOM 1718 C ALA A 113 1.627 0.908 0.857 1.00 0.00 C ATOM 1719 O ALA A 113 2.358 1.118 -0.115 1.00 0.00 O ATOM 1720 CB ALA A 113 -0.815 1.400 0.936 1.00 0.00 C ATOM 0 H ALA A 113 -0.807 -0.712 2.177 1.00 0.00 H new ATOM 0 HA ALA A 113 0.134 -0.042 -0.335 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -0.651 2.233 0.252 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -1.809 0.985 0.771 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -0.736 1.754 1.964 1.00 0.00 H new ATOM 1726 N LYS A 114 1.979 1.185 2.104 1.00 0.00 N ATOM 1727 CA LYS A 114 3.267 1.773 2.421 1.00 0.00 C ATOM 1728 C LYS A 114 4.429 0.799 2.219 1.00 0.00 C ATOM 1729 O LYS A 114 5.514 1.225 1.832 1.00 0.00 O ATOM 1730 CB LYS A 114 3.244 2.340 3.844 1.00 0.00 C ATOM 1731 CG LYS A 114 3.864 1.447 4.908 1.00 0.00 C ATOM 1732 CD LYS A 114 3.098 1.525 6.221 1.00 0.00 C ATOM 1733 CE LYS A 114 2.784 2.959 6.625 1.00 0.00 C ATOM 1734 NZ LYS A 114 1.528 3.456 5.998 1.00 0.00 N ATOM 0 H LYS A 114 1.385 1.010 2.915 1.00 0.00 H new ATOM 0 HA LYS A 114 3.441 2.589 1.719 1.00 0.00 H new ATOM 0 HB2 LYS A 114 3.767 3.296 3.845 1.00 0.00 H new ATOM 0 HB3 LYS A 114 2.209 2.542 4.120 1.00 0.00 H new ATOM 0 HG2 LYS A 114 3.878 0.416 4.555 1.00 0.00 H new ATOM 0 HG3 LYS A 114 4.900 1.742 5.073 1.00 0.00 H new ATOM 0 HD2 LYS A 114 2.168 0.964 6.130 1.00 0.00 H new ATOM 0 HD3 LYS A 114 3.682 1.048 7.008 1.00 0.00 H new ATOM 0 HE2 LYS A 114 2.695 3.018 7.710 1.00 0.00 H new ATOM 0 HE3 LYS A 114 3.613 3.606 6.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 1.170 4.271 6.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 1.720 3.746 5.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 0.815 2.699 6.002 1.00 0.00 H new ATOM 1748 N VAL A 115 4.229 -0.504 2.463 1.00 0.00 N ATOM 1749 CA VAL A 115 5.332 -1.442 2.262 1.00 0.00 C ATOM 1750 C VAL A 115 5.749 -1.450 0.825 1.00 0.00 C ATOM 1751 O VAL A 115 6.930 -1.302 0.489 1.00 0.00 O ATOM 1752 CB VAL A 115 5.038 -2.906 2.664 1.00 0.00 C ATOM 1753 CG1 VAL A 115 3.799 -3.491 2.043 1.00 0.00 C ATOM 1754 CG2 VAL A 115 6.230 -3.780 2.318 1.00 0.00 C ATOM 0 H VAL A 115 3.353 -0.915 2.786 1.00 0.00 H new ATOM 0 HA VAL A 115 6.116 -1.076 2.925 1.00 0.00 H new ATOM 0 HB VAL A 115 4.857 -2.885 3.739 1.00 0.00 H new ATOM 0 HG11 VAL A 115 3.673 -4.519 2.382 1.00 0.00 H new ATOM 0 HG12 VAL A 115 2.931 -2.902 2.340 1.00 0.00 H new ATOM 0 HG13 VAL A 115 3.894 -3.476 0.957 1.00 0.00 H new ATOM 0 HG21 VAL A 115 6.020 -4.811 2.602 1.00 0.00 H new ATOM 0 HG22 VAL A 115 6.418 -3.731 1.246 1.00 0.00 H new ATOM 0 HG23 VAL A 115 7.109 -3.427 2.857 1.00 0.00 H new ATOM 1764 N LEU A 116 4.771 -1.643 -0.021 1.00 0.00 N ATOM 1765 CA LEU A 116 5.033 -1.697 -1.431 1.00 0.00 C ATOM 1766 C LEU A 116 5.552 -0.359 -1.918 1.00 0.00 C ATOM 1767 O LEU A 116 6.466 -0.313 -2.732 1.00 0.00 O ATOM 1768 CB LEU A 116 3.779 -2.116 -2.197 1.00 0.00 C ATOM 1769 CG LEU A 116 3.693 -3.603 -2.536 1.00 0.00 C ATOM 1770 CD1 LEU A 116 3.164 -4.387 -1.345 1.00 0.00 C ATOM 1771 CD2 LEU A 116 2.813 -3.823 -3.760 1.00 0.00 C ATOM 0 H LEU A 116 3.793 -1.764 0.241 1.00 0.00 H new ATOM 0 HA LEU A 116 5.801 -2.448 -1.617 1.00 0.00 H new ATOM 0 HB2 LEU A 116 2.904 -1.842 -1.608 1.00 0.00 H new ATOM 0 HB3 LEU A 116 3.730 -1.545 -3.124 1.00 0.00 H new ATOM 0 HG LEU A 116 4.695 -3.964 -2.768 1.00 0.00 H new ATOM 0 HD11 LEU A 116 3.108 -5.445 -1.602 1.00 0.00 H new ATOM 0 HD12 LEU A 116 3.834 -4.254 -0.496 1.00 0.00 H new ATOM 0 HD13 LEU A 116 2.170 -4.024 -1.083 1.00 0.00 H new ATOM 0 HD21 LEU A 116 2.764 -4.888 -3.986 1.00 0.00 H new ATOM 0 HD22 LEU A 116 1.809 -3.448 -3.559 1.00 0.00 H new ATOM 0 HD23 LEU A 116 3.235 -3.290 -4.612 1.00 0.00 H new ATOM 1783 N LEU A 117 4.985 0.731 -1.406 1.00 0.00 N ATOM 1784 CA LEU A 117 5.441 2.054 -1.805 1.00 0.00 C ATOM 1785 C LEU A 117 6.774 2.385 -1.174 1.00 0.00 C ATOM 1786 O LEU A 117 7.493 3.266 -1.649 1.00 0.00 O ATOM 1787 CB LEU A 117 4.406 3.120 -1.488 1.00 0.00 C ATOM 1788 CG LEU A 117 3.587 3.515 -2.704 1.00 0.00 C ATOM 1789 CD1 LEU A 117 2.122 3.170 -2.505 1.00 0.00 C ATOM 1790 CD2 LEU A 117 3.758 4.986 -3.017 1.00 0.00 C ATOM 0 H LEU A 117 4.224 0.724 -0.727 1.00 0.00 H new ATOM 0 HA LEU A 117 5.576 2.040 -2.886 1.00 0.00 H new ATOM 0 HB2 LEU A 117 3.739 2.753 -0.708 1.00 0.00 H new ATOM 0 HB3 LEU A 117 4.908 4.002 -1.090 1.00 0.00 H new ATOM 0 HG LEU A 117 3.955 2.945 -3.557 1.00 0.00 H new ATOM 0 HD11 LEU A 117 1.556 3.462 -3.389 1.00 0.00 H new ATOM 0 HD12 LEU A 117 2.019 2.096 -2.347 1.00 0.00 H new ATOM 0 HD13 LEU A 117 1.738 3.703 -1.635 1.00 0.00 H new ATOM 0 HD21 LEU A 117 3.161 5.244 -3.892 1.00 0.00 H new ATOM 0 HD22 LEU A 117 3.428 5.580 -2.165 1.00 0.00 H new ATOM 0 HD23 LEU A 117 4.808 5.195 -3.220 1.00 0.00 H new ATOM 1802 N GLU A 118 7.137 1.639 -0.145 1.00 0.00 N ATOM 1803 CA GLU A 118 8.422 1.832 0.480 1.00 0.00 C ATOM 1804 C GLU A 118 9.447 1.293 -0.491 1.00 0.00 C ATOM 1805 O GLU A 118 10.419 1.962 -0.840 1.00 0.00 O ATOM 1806 CB GLU A 118 8.506 1.104 1.827 1.00 0.00 C ATOM 1807 CG GLU A 118 9.678 1.550 2.685 1.00 0.00 C ATOM 1808 CD GLU A 118 10.836 0.572 2.646 1.00 0.00 C ATOM 1809 OE1 GLU A 118 11.338 0.291 1.538 1.00 0.00 O ATOM 1810 OE2 GLU A 118 11.241 0.088 3.724 1.00 0.00 O ATOM 0 H GLU A 118 6.563 0.903 0.268 1.00 0.00 H new ATOM 0 HA GLU A 118 8.595 2.886 0.696 1.00 0.00 H new ATOM 0 HB2 GLU A 118 7.580 1.268 2.378 1.00 0.00 H new ATOM 0 HB3 GLU A 118 8.585 0.032 1.647 1.00 0.00 H new ATOM 0 HG2 GLU A 118 10.021 2.527 2.345 1.00 0.00 H new ATOM 0 HG3 GLU A 118 9.344 1.670 3.715 1.00 0.00 H new ATOM 1817 N ALA A 119 9.165 0.089 -0.980 1.00 0.00 N ATOM 1818 CA ALA A 119 10.011 -0.546 -1.970 1.00 0.00 C ATOM 1819 C ALA A 119 9.842 0.146 -3.314 1.00 0.00 C ATOM 1820 O ALA A 119 10.757 0.172 -4.135 1.00 0.00 O ATOM 1821 CB ALA A 119 9.682 -2.027 -2.083 1.00 0.00 C ATOM 0 H ALA A 119 8.354 -0.463 -0.702 1.00 0.00 H new ATOM 0 HA ALA A 119 11.051 -0.454 -1.657 1.00 0.00 H new ATOM 0 HB1 ALA A 119 10.327 -2.487 -2.831 1.00 0.00 H new ATOM 0 HB2 ALA A 119 9.842 -2.510 -1.119 1.00 0.00 H new ATOM 0 HB3 ALA A 119 8.640 -2.147 -2.380 1.00 0.00 H new ATOM 1827 N ALA A 120 8.661 0.717 -3.523 1.00 0.00 N ATOM 1828 CA ALA A 120 8.362 1.420 -4.755 1.00 0.00 C ATOM 1829 C ALA A 120 9.164 2.696 -4.857 1.00 0.00 C ATOM 1830 O ALA A 120 9.972 2.864 -5.769 1.00 0.00 O ATOM 1831 CB ALA A 120 6.882 1.734 -4.855 1.00 0.00 C ATOM 0 H ALA A 120 7.895 0.704 -2.849 1.00 0.00 H new ATOM 0 HA ALA A 120 8.638 0.766 -5.582 1.00 0.00 H new ATOM 0 HB1 ALA A 120 6.684 2.261 -5.788 1.00 0.00 H new ATOM 0 HB2 ALA A 120 6.311 0.806 -4.835 1.00 0.00 H new ATOM 0 HB3 ALA A 120 6.585 2.361 -4.014 1.00 0.00 H new ATOM 1837 N LEU A 121 8.932 3.601 -3.921 1.00 0.00 N ATOM 1838 CA LEU A 121 9.635 4.862 -3.928 1.00 0.00 C ATOM 1839 C LEU A 121 11.144 4.641 -3.809 1.00 0.00 C ATOM 1840 O LEU A 121 11.928 5.347 -4.432 1.00 0.00 O ATOM 1841 CB LEU A 121 9.107 5.790 -2.828 1.00 0.00 C ATOM 1842 CG LEU A 121 9.882 5.795 -1.511 1.00 0.00 C ATOM 1843 CD1 LEU A 121 10.426 7.183 -1.208 1.00 0.00 C ATOM 1844 CD2 LEU A 121 8.982 5.317 -0.397 1.00 0.00 C ATOM 0 H LEU A 121 8.268 3.483 -3.156 1.00 0.00 H new ATOM 0 HA LEU A 121 9.450 5.354 -4.883 1.00 0.00 H new ATOM 0 HB2 LEU A 121 9.091 6.808 -3.218 1.00 0.00 H new ATOM 0 HB3 LEU A 121 8.074 5.514 -2.615 1.00 0.00 H new ATOM 0 HG LEU A 121 10.733 5.119 -1.597 1.00 0.00 H new ATOM 0 HD11 LEU A 121 10.974 7.161 -0.266 1.00 0.00 H new ATOM 0 HD12 LEU A 121 11.095 7.494 -2.010 1.00 0.00 H new ATOM 0 HD13 LEU A 121 9.599 7.889 -1.131 1.00 0.00 H new ATOM 0 HD21 LEU A 121 9.534 5.320 0.543 1.00 0.00 H new ATOM 0 HD22 LEU A 121 8.121 5.980 -0.315 1.00 0.00 H new ATOM 0 HD23 LEU A 121 8.641 4.305 -0.614 1.00 0.00 H new ATOM 1856 N ARG A 122 11.548 3.654 -3.006 1.00 0.00 N ATOM 1857 CA ARG A 122 12.967 3.359 -2.817 1.00 0.00 C ATOM 1858 C ARG A 122 13.602 2.749 -4.068 1.00 0.00 C ATOM 1859 O ARG A 122 14.779 2.981 -4.346 1.00 0.00 O ATOM 1860 CB ARG A 122 13.162 2.441 -1.608 1.00 0.00 C ATOM 1861 CG ARG A 122 13.681 1.070 -1.970 1.00 0.00 C ATOM 1862 CD ARG A 122 13.432 0.056 -0.867 1.00 0.00 C ATOM 1863 NE ARG A 122 14.507 0.047 0.123 1.00 0.00 N ATOM 1864 CZ ARG A 122 14.463 -0.645 1.258 1.00 0.00 C ATOM 1865 NH1 ARG A 122 13.401 -1.386 1.552 1.00 0.00 N ATOM 1866 NH2 ARG A 122 15.484 -0.599 2.103 1.00 0.00 N ATOM 0 H ARG A 122 10.916 3.050 -2.480 1.00 0.00 H new ATOM 0 HA ARG A 122 13.476 4.305 -2.630 1.00 0.00 H new ATOM 0 HB2 ARG A 122 13.857 2.912 -0.913 1.00 0.00 H new ATOM 0 HB3 ARG A 122 12.211 2.335 -1.086 1.00 0.00 H new ATOM 0 HG2 ARG A 122 13.201 0.732 -2.888 1.00 0.00 H new ATOM 0 HG3 ARG A 122 14.750 1.129 -2.173 1.00 0.00 H new ATOM 0 HD2 ARG A 122 12.487 0.282 -0.373 1.00 0.00 H new ATOM 0 HD3 ARG A 122 13.334 -0.938 -1.304 1.00 0.00 H new ATOM 0 HE ARG A 122 15.340 0.604 -0.068 1.00 0.00 H new ATOM 0 HH11 ARG A 122 12.613 -1.427 0.906 1.00 0.00 H new ATOM 0 HH12 ARG A 122 13.373 -1.914 2.424 1.00 0.00 H new ATOM 0 HH21 ARG A 122 16.303 -0.033 1.883 1.00 0.00 H new ATOM 0 HH22 ARG A 122 15.450 -1.130 2.973 1.00 0.00 H new ATOM 1880 N GLN A 123 12.838 1.950 -4.803 1.00 0.00 N ATOM 1881 CA GLN A 123 13.364 1.297 -5.996 1.00 0.00 C ATOM 1882 C GLN A 123 13.152 2.129 -7.262 1.00 0.00 C ATOM 1883 O GLN A 123 13.901 1.986 -8.229 1.00 0.00 O ATOM 1884 CB GLN A 123 12.720 -0.080 -6.172 1.00 0.00 C ATOM 1885 CG GLN A 123 13.587 -1.061 -6.945 1.00 0.00 C ATOM 1886 CD GLN A 123 12.906 -1.590 -8.192 1.00 0.00 C ATOM 1887 OE1 GLN A 123 12.898 -2.795 -8.445 1.00 0.00 O ATOM 1888 NE2 GLN A 123 12.328 -0.689 -8.979 1.00 0.00 N ATOM 0 H GLN A 123 11.861 1.740 -4.597 1.00 0.00 H new ATOM 0 HA GLN A 123 14.439 1.190 -5.851 1.00 0.00 H new ATOM 0 HB2 GLN A 123 12.500 -0.498 -5.189 1.00 0.00 H new ATOM 0 HB3 GLN A 123 11.768 0.037 -6.689 1.00 0.00 H new ATOM 0 HG2 GLN A 123 14.520 -0.572 -7.226 1.00 0.00 H new ATOM 0 HG3 GLN A 123 13.848 -1.897 -6.297 1.00 0.00 H new ATOM 0 HE21 GLN A 123 12.359 0.300 -8.731 1.00 0.00 H new ATOM 0 HE22 GLN A 123 11.853 -0.986 -9.832 1.00 0.00 H new ATOM 1897 N GLU A 124 12.126 2.977 -7.274 1.00 0.00 N ATOM 1898 CA GLU A 124 11.844 3.788 -8.460 1.00 0.00 C ATOM 1899 C GLU A 124 12.451 5.185 -8.381 1.00 0.00 C ATOM 1900 O GLU A 124 13.326 5.537 -9.171 1.00 0.00 O ATOM 1901 CB GLU A 124 10.334 3.918 -8.675 1.00 0.00 C ATOM 1902 CG GLU A 124 9.562 2.629 -8.440 1.00 0.00 C ATOM 1903 CD GLU A 124 9.244 1.898 -9.730 1.00 0.00 C ATOM 1904 OE1 GLU A 124 10.160 1.263 -10.294 1.00 0.00 O ATOM 1905 OE2 GLU A 124 8.079 1.959 -10.175 1.00 0.00 O ATOM 0 H GLU A 124 11.486 3.121 -6.493 1.00 0.00 H new ATOM 0 HA GLU A 124 12.305 3.268 -9.300 1.00 0.00 H new ATOM 0 HB2 GLU A 124 9.947 4.688 -8.007 1.00 0.00 H new ATOM 0 HB3 GLU A 124 10.151 4.259 -9.694 1.00 0.00 H new ATOM 0 HG2 GLU A 124 10.143 1.975 -7.790 1.00 0.00 H new ATOM 0 HG3 GLU A 124 8.633 2.856 -7.917 1.00 0.00 H new ATOM 1912 N SER A 125 11.953 5.988 -7.449 1.00 0.00 N ATOM 1913 CA SER A 125 12.418 7.362 -7.297 1.00 0.00 C ATOM 1914 C SER A 125 13.497 7.500 -6.229 1.00 0.00 C ATOM 1915 O SER A 125 14.639 7.853 -6.523 1.00 0.00 O ATOM 1916 CB SER A 125 11.231 8.261 -6.950 1.00 0.00 C ATOM 1917 OG SER A 125 10.675 8.845 -8.116 1.00 0.00 O ATOM 0 H SER A 125 11.228 5.712 -6.787 1.00 0.00 H new ATOM 0 HA SER A 125 12.864 7.665 -8.244 1.00 0.00 H new ATOM 0 HB2 SER A 125 10.469 7.679 -6.432 1.00 0.00 H new ATOM 0 HB3 SER A 125 11.553 9.045 -6.265 1.00 0.00 H new ATOM 0 HG SER A 125 9.827 9.282 -7.891 1.00 0.00 H new ATOM 1923 N GLY A 126 13.115 7.242 -4.987 1.00 0.00 N ATOM 1924 CA GLY A 126 14.038 7.364 -3.878 1.00 0.00 C ATOM 1925 C GLY A 126 14.069 8.777 -3.351 1.00 0.00 C ATOM 1926 O GLY A 126 14.993 9.538 -3.640 1.00 0.00 O ATOM 0 H GLY A 126 12.174 6.948 -4.726 1.00 0.00 H new ATOM 0 HA2 GLY A 126 13.745 6.681 -3.080 1.00 0.00 H new ATOM 0 HA3 GLY A 126 15.037 7.070 -4.198 1.00 0.00 H new ATOM 1930 N ALA A 127 13.024 9.136 -2.609 1.00 0.00 N ATOM 1931 CA ALA A 127 12.877 10.480 -2.061 1.00 0.00 C ATOM 1932 C ALA A 127 12.248 11.390 -3.109 1.00 0.00 C ATOM 1933 O ALA A 127 11.473 12.289 -2.785 1.00 0.00 O ATOM 1934 CB ALA A 127 14.213 11.040 -1.587 1.00 0.00 C ATOM 0 H ALA A 127 12.258 8.505 -2.372 1.00 0.00 H new ATOM 0 HA ALA A 127 12.224 10.430 -1.190 1.00 0.00 H new ATOM 0 HB1 ALA A 127 14.065 12.042 -1.185 1.00 0.00 H new ATOM 0 HB2 ALA A 127 14.623 10.394 -0.810 1.00 0.00 H new ATOM 0 HB3 ALA A 127 14.907 11.084 -2.426 1.00 0.00 H new ATOM 1940 N ARG A 128 12.576 11.125 -4.375 1.00 0.00 N ATOM 1941 CA ARG A 128 12.040 11.885 -5.494 1.00 0.00 C ATOM 1942 C ARG A 128 12.829 11.595 -6.768 1.00 0.00 C ATOM 1943 O ARG A 128 13.979 12.012 -6.906 1.00 0.00 O ATOM 1944 CB ARG A 128 12.059 13.388 -5.202 1.00 0.00 C ATOM 1945 CG ARG A 128 10.705 13.951 -4.803 1.00 0.00 C ATOM 1946 CD ARG A 128 10.279 15.096 -5.711 1.00 0.00 C ATOM 1947 NE ARG A 128 10.272 16.377 -5.009 1.00 0.00 N ATOM 1948 CZ ARG A 128 11.362 17.109 -4.788 1.00 0.00 C ATOM 1949 NH1 ARG A 128 12.549 16.693 -5.214 1.00 0.00 N ATOM 1950 NH2 ARG A 128 11.266 18.261 -4.139 1.00 0.00 N ATOM 0 H ARG A 128 13.218 10.380 -4.647 1.00 0.00 H new ATOM 0 HA ARG A 128 11.005 11.575 -5.638 1.00 0.00 H new ATOM 0 HB2 ARG A 128 12.774 13.585 -4.403 1.00 0.00 H new ATOM 0 HB3 ARG A 128 12.416 13.916 -6.086 1.00 0.00 H new ATOM 0 HG2 ARG A 128 9.957 13.159 -4.841 1.00 0.00 H new ATOM 0 HG3 ARG A 128 10.747 14.301 -3.772 1.00 0.00 H new ATOM 0 HD2 ARG A 128 10.955 15.154 -6.564 1.00 0.00 H new ATOM 0 HD3 ARG A 128 9.284 14.894 -6.107 1.00 0.00 H new ATOM 0 HE ARG A 128 9.379 16.732 -4.668 1.00 0.00 H new ATOM 0 HH11 ARG A 128 12.630 15.808 -5.714 1.00 0.00 H new ATOM 0 HH12 ARG A 128 13.380 17.259 -5.041 1.00 0.00 H new ATOM 0 HH21 ARG A 128 10.357 18.586 -3.809 1.00 0.00 H new ATOM 0 HH22 ARG A 128 12.101 18.822 -3.970 1.00 0.00 H new ATOM 1964 N GLY A 129 12.203 10.878 -7.696 1.00 0.00 N ATOM 1965 CA GLY A 129 12.862 10.547 -8.945 1.00 0.00 C ATOM 1966 C GLY A 129 11.882 10.323 -10.080 1.00 0.00 C ATOM 1967 O GLY A 129 12.197 9.641 -11.055 1.00 0.00 O ATOM 0 H GLY A 129 11.252 10.521 -7.605 1.00 0.00 H new ATOM 0 HA2 GLY A 129 13.547 11.351 -9.214 1.00 0.00 H new ATOM 0 HA3 GLY A 129 13.464 9.649 -8.807 1.00 0.00 H new ATOM 1971 N SER A 130 10.690 10.898 -9.954 1.00 0.00 N ATOM 1972 CA SER A 130 9.662 10.757 -10.979 1.00 0.00 C ATOM 1973 C SER A 130 9.820 11.822 -12.059 1.00 0.00 C ATOM 1974 O SER A 130 9.829 13.021 -11.710 1.00 0.00 O ATOM 1975 CB SER A 130 8.270 10.852 -10.352 1.00 0.00 C ATOM 1976 OG SER A 130 8.152 12.012 -9.547 1.00 0.00 O ATOM 0 H SER A 130 10.412 11.465 -9.153 1.00 0.00 H new ATOM 0 HA SER A 130 9.778 9.777 -11.442 1.00 0.00 H new ATOM 0 HB2 SER A 130 7.514 10.872 -11.137 1.00 0.00 H new ATOM 0 HB3 SER A 130 8.078 9.965 -9.748 1.00 0.00 H new ATOM 0 HG SER A 130 8.716 12.724 -9.915 1.00 0.00 H new TER 1982 SER A 130 HETATM 1983 C ACE B 201 -8.709 13.858 -12.608 1.00 0.00 C HETATM 1984 O ACE B 201 -8.400 14.595 -13.545 1.00 0.00 O HETATM 1985 CH3 ACE B 201 -8.319 12.384 -12.614 1.00 0.00 C HETATM 0 H1 ACE B 201 -7.690 12.171 -11.750 1.00 0.00 H new HETATM 0 H2 ACE B 201 -9.218 11.770 -12.569 1.00 0.00 H new HETATM 0 H3 ACE B 201 -7.770 12.157 -13.528 1.00 0.00 H new ATOM 1989 N ASP B 202 -9.389 14.284 -11.549 1.00 0.00 N ATOM 1990 CA ASP B 202 -8.759 15.086 -10.507 1.00 0.00 C ATOM 1991 C ASP B 202 -9.461 14.888 -9.168 1.00 0.00 C ATOM 1992 O ASP B 202 -10.658 15.145 -9.040 1.00 0.00 O ATOM 1993 CB ASP B 202 -8.778 16.567 -10.892 1.00 0.00 C ATOM 1994 CG ASP B 202 -7.627 17.339 -10.278 1.00 0.00 C ATOM 1995 OD1 ASP B 202 -6.531 17.348 -10.877 1.00 0.00 O ATOM 1996 OD2 ASP B 202 -7.821 17.935 -9.197 1.00 0.00 O ATOM 0 H ASP B 202 -10.377 14.087 -11.390 1.00 0.00 H new ATOM 0 HA ASP B 202 -7.725 14.757 -10.406 1.00 0.00 H new ATOM 0 HB2 ASP B 202 -8.735 16.658 -11.977 1.00 0.00 H new ATOM 0 HB3 ASP B 202 -9.721 17.011 -10.572 1.00 0.00 H new ATOM 2001 N GLU B 203 -8.709 14.429 -8.173 1.00 0.00 N ATOM 2002 CA GLU B 203 -9.261 14.196 -6.843 1.00 0.00 C ATOM 2003 C GLU B 203 -8.185 14.351 -5.772 1.00 0.00 C ATOM 2004 O GLU B 203 -7.096 13.788 -5.885 1.00 0.00 O ATOM 2005 CB GLU B 203 -9.882 12.799 -6.765 1.00 0.00 C ATOM 2006 CG GLU B 203 -11.378 12.814 -6.495 1.00 0.00 C ATOM 2007 CD GLU B 203 -12.055 11.518 -6.895 1.00 0.00 C ATOM 2008 OE1 GLU B 203 -12.466 11.400 -8.068 1.00 0.00 O ATOM 2009 OE2 GLU B 203 -12.173 10.619 -6.035 1.00 0.00 O ATOM 0 H GLU B 203 -7.717 14.211 -8.262 1.00 0.00 H new ATOM 0 HA GLU B 203 -10.036 14.941 -6.661 1.00 0.00 H new ATOM 0 HB2 GLU B 203 -9.695 12.274 -7.702 1.00 0.00 H new ATOM 0 HB3 GLU B 203 -9.385 12.232 -5.978 1.00 0.00 H new ATOM 0 HG2 GLU B 203 -11.550 12.997 -5.434 1.00 0.00 H new ATOM 0 HG3 GLU B 203 -11.834 13.641 -7.040 1.00 0.00 H new HETATM 2016 N PTR B 204 -8.500 15.117 -4.729 1.00 0.00 N HETATM 2017 CA PTR B 204 -7.562 15.342 -3.634 1.00 0.00 C HETATM 2018 C PTR B 204 -6.228 15.857 -4.168 1.00 0.00 C HETATM 2019 O PTR B 204 -5.247 15.115 -4.236 1.00 0.00 O HETATM 2020 CB PTR B 204 -7.333 14.045 -2.847 1.00 0.00 C HETATM 2021 CG PTR B 204 -8.590 13.430 -2.256 1.00 0.00 C HETATM 2022 CD1 PTR B 204 -8.622 13.032 -0.923 1.00 0.00 C HETATM 2023 CD2 PTR B 204 -9.739 13.244 -3.020 1.00 0.00 C HETATM 2024 CE1 PTR B 204 -9.757 12.469 -0.371 1.00 0.00 C HETATM 2025 CE2 PTR B 204 -10.877 12.683 -2.472 1.00 0.00 C HETATM 2026 CZ PTR B 204 -10.882 12.297 -1.148 1.00 0.00 C HETATM 2027 OH PTR B 204 -12.014 11.737 -0.596 1.00 0.00 O HETATM 2028 P PTR B 204 -12.881 10.779 -1.476 1.00 0.00 P HETATM 2029 O1P PTR B 204 -11.870 10.095 -2.434 1.00 0.00 O HETATM 2030 O2P PTR B 204 -13.795 11.724 -2.297 1.00 0.00 O HETATM 2031 O3P PTR B 204 -13.659 9.791 -0.659 1.00 0.00 O HETATM 0 HE2 PTR B 204 -11.768 12.546 -3.085 1.00 0.00 H new HETATM 0 HE1 PTR B 204 -9.762 12.162 0.675 1.00 0.00 H new HETATM 0 HD2 PTR B 204 -9.741 13.546 -4.067 1.00 0.00 H new HETATM 0 HD1 PTR B 204 -7.736 13.167 -0.303 1.00 0.00 H new HETATM 0 HB3 PTR B 204 -6.863 13.315 -3.506 1.00 0.00 H new HETATM 0 HB2 PTR B 204 -6.629 14.246 -2.039 1.00 0.00 H new HETATM 0 HA PTR B 204 -7.992 16.091 -2.970 1.00 0.00 H new ATOM 2040 N ASP B 205 -6.196 17.130 -4.548 1.00 0.00 N ATOM 2041 CA ASP B 205 -4.981 17.737 -5.077 1.00 0.00 C ATOM 2042 C ASP B 205 -4.105 18.278 -3.949 1.00 0.00 C ATOM 2043 O ASP B 205 -3.716 19.446 -3.956 1.00 0.00 O ATOM 2044 CB ASP B 205 -5.333 18.862 -6.053 1.00 0.00 C ATOM 2045 CG ASP B 205 -4.167 19.238 -6.947 1.00 0.00 C ATOM 2046 OD1 ASP B 205 -3.922 18.517 -7.937 1.00 0.00 O ATOM 2047 OD2 ASP B 205 -3.498 20.252 -6.656 1.00 0.00 O ATOM 0 H ASP B 205 -6.997 17.760 -4.499 1.00 0.00 H new ATOM 0 HA ASP B 205 -4.420 16.967 -5.608 1.00 0.00 H new ATOM 0 HB2 ASP B 205 -6.176 18.553 -6.671 1.00 0.00 H new ATOM 0 HB3 ASP B 205 -5.654 19.739 -5.491 1.00 0.00 H new ATOM 2052 N ASP B 206 -3.798 17.420 -2.980 1.00 0.00 N ATOM 2053 CA ASP B 206 -2.969 17.812 -1.844 1.00 0.00 C ATOM 2054 C ASP B 206 -2.860 16.675 -0.830 1.00 0.00 C ATOM 2055 O ASP B 206 -3.751 16.492 0.000 1.00 0.00 O ATOM 2056 CB ASP B 206 -3.548 19.056 -1.164 1.00 0.00 C ATOM 2057 CG ASP B 206 -5.043 18.947 -0.931 1.00 0.00 C ATOM 2058 OD1 ASP B 206 -5.581 17.824 -1.036 1.00 0.00 O ATOM 2059 OD2 ASP B 206 -5.676 19.985 -0.643 1.00 0.00 O ATOM 0 H ASP B 206 -4.111 16.449 -2.959 1.00 0.00 H new ATOM 0 HA ASP B 206 -1.972 18.041 -2.220 1.00 0.00 H new ATOM 0 HB2 ASP B 206 -3.045 19.212 -0.210 1.00 0.00 H new ATOM 0 HB3 ASP B 206 -3.342 19.932 -1.780 1.00 0.00 H new ATOM 2064 N PRO B 207 -1.765 15.889 -0.875 1.00 0.00 N ATOM 2065 CA PRO B 207 -1.552 14.771 0.046 1.00 0.00 C ATOM 2066 C PRO B 207 -1.871 15.139 1.492 1.00 0.00 C ATOM 2067 O PRO B 207 -2.065 16.310 1.818 1.00 0.00 O ATOM 2068 CB PRO B 207 -0.055 14.443 -0.112 1.00 0.00 C ATOM 2069 CG PRO B 207 0.505 15.502 -1.006 1.00 0.00 C ATOM 2070 CD PRO B 207 -0.648 16.015 -1.816 1.00 0.00 C ATOM 0 HA PRO B 207 -2.207 13.930 -0.183 1.00 0.00 H new ATOM 0 HB2 PRO B 207 0.449 14.442 0.855 1.00 0.00 H new ATOM 0 HB3 PRO B 207 0.084 13.453 -0.545 1.00 0.00 H new ATOM 0 HG2 PRO B 207 0.959 16.304 -0.424 1.00 0.00 H new ATOM 0 HG3 PRO B 207 1.284 15.096 -1.651 1.00 0.00 H new ATOM 0 HD2 PRO B 207 -0.496 17.047 -2.133 1.00 0.00 H new ATOM 0 HD3 PRO B 207 -0.807 15.425 -2.718 1.00 0.00 H new ATOM 2078 N PHE B 208 -1.928 14.128 2.354 1.00 0.00 N ATOM 2079 CA PHE B 208 -2.225 14.339 3.766 1.00 0.00 C ATOM 2080 C PHE B 208 -3.615 14.942 3.944 1.00 0.00 C ATOM 2081 O PHE B 208 -4.173 15.526 3.016 1.00 0.00 O ATOM 2082 CB PHE B 208 -1.176 15.253 4.402 1.00 0.00 C ATOM 2083 CG PHE B 208 0.178 14.616 4.533 1.00 0.00 C ATOM 2084 CD1 PHE B 208 1.103 14.704 3.503 1.00 0.00 C ATOM 2085 CD2 PHE B 208 0.529 13.932 5.686 1.00 0.00 C ATOM 2086 CE1 PHE B 208 2.350 14.123 3.621 1.00 0.00 C ATOM 2087 CE2 PHE B 208 1.775 13.349 5.810 1.00 0.00 C ATOM 2088 CZ PHE B 208 2.687 13.445 4.777 1.00 0.00 C ATOM 0 H PHE B 208 -1.772 13.153 2.098 1.00 0.00 H new ATOM 0 HA PHE B 208 -2.200 13.370 4.264 1.00 0.00 H new ATOM 0 HB2 PHE B 208 -1.085 16.159 3.803 1.00 0.00 H new ATOM 0 HB3 PHE B 208 -1.522 15.557 5.390 1.00 0.00 H new ATOM 0 HD1 PHE B 208 0.845 15.233 2.598 1.00 0.00 H new ATOM 0 HD2 PHE B 208 -0.180 13.854 6.497 1.00 0.00 H new ATOM 0 HE1 PHE B 208 3.061 14.198 2.811 1.00 0.00 H new ATOM 0 HE2 PHE B 208 2.036 12.819 6.714 1.00 0.00 H new ATOM 0 HZ PHE B 208 3.662 12.991 4.873 1.00 0.00 H new HETATM 2098 N NH2 B 209 -4.173 14.800 5.141 1.00 0.00 N TER 2101 NH2 B 209