USER MOD reduce.3.24.130724 H: found=0, std=0, add=1043, rem=0, adj=39 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 79 SER OG : rot 101:sc= 0.743 USER MOD Set 1.2: A 80 THR OG1 : rot -87:sc= 0.114 USER MOD Set 1.3: A 88 TYR OH : rot -13:sc= 0.0594 USER MOD Set 2.1: A 87 ASN : amide:sc= -2.11! C(o=-4.4!,f=-11!) USER MOD Set 2.2: A 108 MET CE :methyl -111:sc= -2.33 (180deg=-6.43!) USER MOD Set 3.1: A 2 ASN : amide:sc= -0.988 X(o=-2.2,f=-2.5) USER MOD Set 3.2: A 62 HIS : no HE2:sc= -1.19 X(o=-2.2,f=-2.5!) USER MOD Set 4.1: A 43 THR OG1 : rot 180:sc= 0 USER MOD Set 4.2: A 105 SER OG : rot 48:sc= 1.06 USER MOD Set 5.1: A 40 GLN : amide:sc= -0.899 X(o=-14,f=-13) USER MOD Set 5.2: A 107 GLN : amide:sc= -12.9! C(o=-14!,f=-19!) USER MOD Set 6.1: A 24 THR OG1 : rot 142:sc= 1.31 USER MOD Set 6.2: A 34 ASN :FLIP amide:sc= -0.831! C(o=-2.6!,f=0.9!) USER MOD Set 6.3: A 37 THR OG1 : rot 147:sc= 0.424 USER MOD Set 7.1: A 13 SER OG : rot 180:sc= -1.06 USER MOD Set 7.2: A 17 GLN : amide:sc= 0 X(o=-1.1,f=-1.1) USER MOD Single : A 1 MET CE :methyl 151:sc= -0.255 (180deg=-0.975) USER MOD Single : A 1 MET N :NH3+ 155:sc= -0.555 (180deg=-1.78!) USER MOD Single : A 4 SER OG : rot 139:sc= 1.51! USER MOD Single : A 6 SER OG : rot 120:sc= -1.98 USER MOD Single : A 9 HIS :FLIP no HD1:sc= -6.46! C(o=-11!,f=-6.5!) USER MOD Single : A 11 GLN : amide:sc= -13.6! C(o=-14!,f=-19!) USER MOD Single : A 18 GLN : amide:sc= -1.38 K(o=-1.4,f=-4.8!) USER MOD Single : A 20 SER OG : rot -48:sc= -0.743 USER MOD Single : A 23 CYS SG : rot 110:sc= -3.23 USER MOD Single : A 26 LYS NZ :NH3+ -146:sc= 0.248 (180deg=-0.136) USER MOD Single : A 30 ASN :FLIP amide:sc= -3.2! C(o=-5.2!,f=-3.2!) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 THR OG1 : rot 46:sc= 0.418 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot -110:sc= -0.979 USER MOD Single : A 53 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.171) USER MOD Single : A 57 GLN : amide:sc= -0.362 X(o=-0.36,f=-0.17) USER MOD Single : A 58 THR OG1 : rot -67:sc= 0.84 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 65 ASN : amide:sc= -2.11! C(o=-2.1!,f=-2!) USER MOD Single : A 69 THR OG1 : rot 150:sc= -0.497 USER MOD Single : A 70 GLN :FLIP amide:sc= -1.08 F(o=-2.2,f=-1.1) USER MOD Single : A 73 THR OG1 : rot 109:sc= 0.742 USER MOD Single : A 75 LYS NZ :NH3+ -118:sc= -0.579 (180deg=-3.56!) USER MOD Single : A 78 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 HIS : no HD1:sc= -2.21 K(o=-2.2,f=-4.4!) USER MOD Single : A 84 ASN :FLIP amide:sc= -0.0422 F(o=-1.5,f=-0.042) USER MOD Single : A 86 ASN : amide:sc= -1.1 K(o=-1.1,f=-1.6!) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 95 ASN : amide:sc= -0.0196 X(o=-0.02,f=-0.01) USER MOD Single : A 97 ASN : amide:sc= -5.29 K(o=-5.3,f=-6.6!) USER MOD Single : A 98 SER OG : rot 31:sc= -0.218! USER MOD Single : A 102 SER OG : rot 150:sc= -2.39! USER MOD Single : A 109 THR OG1 : rot 180:sc= -0.464 USER MOD Single : A 111 GLN :FLIP amide:sc= -1.57! C(o=-3.7!,f=-1.6!) USER MOD Single : A 114 LYS NZ :NH3+ -160:sc= -5.14! (180deg=-6.24!) USER MOD Single : A 123 GLN : amide:sc= -0.435 X(o=-0.44,f=0) USER MOD Single : A 125 SER OG : rot 120:sc= -0.128 USER MOD Single : A 130 SER OG : rot 180:sc= 0.00886 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -4.192 9.237 -12.329 1.00 0.00 N ATOM 2 CA MET A 1 -5.191 8.510 -11.500 1.00 0.00 C ATOM 3 C MET A 1 -4.922 8.700 -10.010 1.00 0.00 C ATOM 4 O MET A 1 -5.817 9.073 -9.252 1.00 0.00 O ATOM 5 CB MET A 1 -5.145 7.022 -11.856 1.00 0.00 C ATOM 6 CG MET A 1 -3.739 6.443 -11.888 1.00 0.00 C ATOM 7 SD MET A 1 -3.548 5.154 -13.134 1.00 0.00 S ATOM 8 CE MET A 1 -3.818 6.092 -14.635 1.00 0.00 C ATOM 0 H1 MET A 1 -4.118 8.782 -13.261 1.00 0.00 H new ATOM 0 H2 MET A 1 -4.493 10.225 -12.449 1.00 0.00 H new ATOM 0 H3 MET A 1 -3.266 9.212 -11.857 1.00 0.00 H new ATOM 0 HA MET A 1 -6.181 8.915 -11.711 1.00 0.00 H new ATOM 0 HB2 MET A 1 -5.741 6.466 -11.132 1.00 0.00 H new ATOM 0 HB3 MET A 1 -5.610 6.876 -12.831 1.00 0.00 H new ATOM 0 HG2 MET A 1 -3.025 7.243 -12.086 1.00 0.00 H new ATOM 0 HG3 MET A 1 -3.496 6.034 -10.907 1.00 0.00 H new ATOM 0 HE1 MET A 1 -3.262 5.636 -15.454 1.00 0.00 H new ATOM 0 HE2 MET A 1 -4.881 6.096 -14.876 1.00 0.00 H new ATOM 0 HE3 MET A 1 -3.475 7.117 -14.490 1.00 0.00 H new ATOM 20 N ASN A 2 -3.687 8.437 -9.593 1.00 0.00 N ATOM 21 CA ASN A 2 -3.314 8.578 -8.192 1.00 0.00 C ATOM 22 C ASN A 2 -2.496 9.848 -7.961 1.00 0.00 C ATOM 23 O ASN A 2 -2.471 10.747 -8.803 1.00 0.00 O ATOM 24 CB ASN A 2 -2.531 7.345 -7.721 1.00 0.00 C ATOM 25 CG ASN A 2 -1.096 7.335 -8.215 1.00 0.00 C ATOM 26 OD1 ASN A 2 -0.172 7.689 -7.482 1.00 0.00 O ATOM 27 ND2 ASN A 2 -0.903 6.928 -9.464 1.00 0.00 N ATOM 0 H ASN A 2 -2.931 8.126 -10.204 1.00 0.00 H new ATOM 0 HA ASN A 2 -4.230 8.658 -7.607 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -2.536 7.312 -6.632 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -3.037 6.444 -8.069 1.00 0.00 H new ATOM 0 HD21 ASN A 2 0.040 6.900 -9.851 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -1.698 6.643 -10.036 1.00 0.00 H new ATOM 34 N LEU A 3 -1.835 9.912 -6.810 1.00 0.00 N ATOM 35 CA LEU A 3 -1.018 11.064 -6.446 1.00 0.00 C ATOM 36 C LEU A 3 0.431 10.858 -6.904 1.00 0.00 C ATOM 37 O LEU A 3 0.908 11.562 -7.794 1.00 0.00 O ATOM 38 CB LEU A 3 -1.139 11.290 -4.924 1.00 0.00 C ATOM 39 CG LEU A 3 0.032 11.958 -4.185 1.00 0.00 C ATOM 40 CD1 LEU A 3 0.913 10.902 -3.539 1.00 0.00 C ATOM 41 CD2 LEU A 3 0.841 12.872 -5.097 1.00 0.00 C ATOM 0 H LEU A 3 -1.850 9.172 -6.108 1.00 0.00 H new ATOM 0 HA LEU A 3 -1.372 11.962 -6.952 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -2.029 11.894 -4.749 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -1.315 10.320 -4.458 1.00 0.00 H new ATOM 0 HG LEU A 3 -0.386 12.592 -3.403 1.00 0.00 H new ATOM 0 HD11 LEU A 3 1.739 11.386 -3.018 1.00 0.00 H new ATOM 0 HD12 LEU A 3 0.325 10.323 -2.827 1.00 0.00 H new ATOM 0 HD13 LEU A 3 1.308 10.238 -4.308 1.00 0.00 H new ATOM 0 HD21 LEU A 3 1.657 13.321 -4.531 1.00 0.00 H new ATOM 0 HD22 LEU A 3 1.250 12.292 -5.924 1.00 0.00 H new ATOM 0 HD23 LEU A 3 0.196 13.658 -5.489 1.00 0.00 H new ATOM 53 N SER A 4 1.117 9.889 -6.306 1.00 0.00 N ATOM 54 CA SER A 4 2.507 9.584 -6.664 1.00 0.00 C ATOM 55 C SER A 4 3.083 8.557 -5.700 1.00 0.00 C ATOM 56 O SER A 4 2.353 7.969 -4.912 1.00 0.00 O ATOM 57 CB SER A 4 3.373 10.849 -6.646 1.00 0.00 C ATOM 58 OG SER A 4 4.731 10.546 -6.913 1.00 0.00 O ATOM 0 H SER A 4 0.735 9.297 -5.568 1.00 0.00 H new ATOM 0 HA SER A 4 2.511 9.177 -7.675 1.00 0.00 H new ATOM 0 HB2 SER A 4 3.003 11.556 -7.388 1.00 0.00 H new ATOM 0 HB3 SER A 4 3.291 11.335 -5.674 1.00 0.00 H new ATOM 0 HG SER A 4 5.107 11.227 -7.509 1.00 0.00 H new ATOM 64 N LEU A 5 4.392 8.343 -5.756 1.00 0.00 N ATOM 65 CA LEU A 5 5.029 7.391 -4.854 1.00 0.00 C ATOM 66 C LEU A 5 5.627 8.090 -3.640 1.00 0.00 C ATOM 67 O LEU A 5 5.196 7.871 -2.513 1.00 0.00 O ATOM 68 CB LEU A 5 6.103 6.574 -5.560 1.00 0.00 C ATOM 69 CG LEU A 5 6.306 5.157 -4.998 1.00 0.00 C ATOM 70 CD1 LEU A 5 5.604 4.971 -3.661 1.00 0.00 C ATOM 71 CD2 LEU A 5 5.812 4.113 -5.978 1.00 0.00 C ATOM 0 H LEU A 5 5.026 8.808 -6.406 1.00 0.00 H new ATOM 0 HA LEU A 5 4.247 6.710 -4.517 1.00 0.00 H new ATOM 0 HB2 LEU A 5 5.846 6.498 -6.617 1.00 0.00 H new ATOM 0 HB3 LEU A 5 7.049 7.113 -5.500 1.00 0.00 H new ATOM 0 HG LEU A 5 7.377 5.029 -4.842 1.00 0.00 H new ATOM 0 HD11 LEU A 5 5.773 3.957 -3.299 1.00 0.00 H new ATOM 0 HD12 LEU A 5 6.001 5.684 -2.939 1.00 0.00 H new ATOM 0 HD13 LEU A 5 4.534 5.139 -3.785 1.00 0.00 H new ATOM 0 HD21 LEU A 5 5.966 3.119 -5.559 1.00 0.00 H new ATOM 0 HD22 LEU A 5 4.750 4.266 -6.168 1.00 0.00 H new ATOM 0 HD23 LEU A 5 6.364 4.202 -6.913 1.00 0.00 H new ATOM 83 N SER A 6 6.637 8.919 -3.875 1.00 0.00 N ATOM 84 CA SER A 6 7.306 9.632 -2.793 1.00 0.00 C ATOM 85 C SER A 6 6.309 10.360 -1.896 1.00 0.00 C ATOM 86 O SER A 6 6.362 10.238 -0.671 1.00 0.00 O ATOM 87 CB SER A 6 8.322 10.623 -3.360 1.00 0.00 C ATOM 88 OG SER A 6 7.685 11.803 -3.819 1.00 0.00 O ATOM 0 H SER A 6 7.011 9.114 -4.804 1.00 0.00 H new ATOM 0 HA SER A 6 7.825 8.893 -2.183 1.00 0.00 H new ATOM 0 HB2 SER A 6 9.054 10.876 -2.593 1.00 0.00 H new ATOM 0 HB3 SER A 6 8.868 10.158 -4.181 1.00 0.00 H new ATOM 0 HG SER A 6 8.031 12.575 -3.325 1.00 0.00 H new ATOM 94 N ASP A 7 5.397 11.110 -2.504 1.00 0.00 N ATOM 95 CA ASP A 7 4.399 11.846 -1.739 1.00 0.00 C ATOM 96 C ASP A 7 3.436 10.882 -1.070 1.00 0.00 C ATOM 97 O ASP A 7 3.108 11.031 0.107 1.00 0.00 O ATOM 98 CB ASP A 7 3.631 12.819 -2.636 1.00 0.00 C ATOM 99 CG ASP A 7 4.542 13.590 -3.572 1.00 0.00 C ATOM 100 OD1 ASP A 7 4.855 13.065 -4.661 1.00 0.00 O ATOM 101 OD2 ASP A 7 4.943 14.718 -3.214 1.00 0.00 O ATOM 0 H ASP A 7 5.328 11.224 -3.515 1.00 0.00 H new ATOM 0 HA ASP A 7 4.915 12.423 -0.972 1.00 0.00 H new ATOM 0 HB2 ASP A 7 2.898 12.265 -3.222 1.00 0.00 H new ATOM 0 HB3 ASP A 7 3.077 13.521 -2.014 1.00 0.00 H new ATOM 106 N LEU A 8 2.993 9.885 -1.826 1.00 0.00 N ATOM 107 CA LEU A 8 2.074 8.887 -1.304 1.00 0.00 C ATOM 108 C LEU A 8 2.714 8.134 -0.152 1.00 0.00 C ATOM 109 O LEU A 8 2.270 8.240 0.981 1.00 0.00 O ATOM 110 CB LEU A 8 1.668 7.924 -2.407 1.00 0.00 C ATOM 111 CG LEU A 8 0.484 7.020 -2.086 1.00 0.00 C ATOM 112 CD1 LEU A 8 -0.806 7.829 -2.044 1.00 0.00 C ATOM 113 CD2 LEU A 8 0.394 5.908 -3.118 1.00 0.00 C ATOM 0 H LEU A 8 3.256 9.748 -2.802 1.00 0.00 H new ATOM 0 HA LEU A 8 1.181 9.390 -0.934 1.00 0.00 H new ATOM 0 HB2 LEU A 8 1.430 8.502 -3.300 1.00 0.00 H new ATOM 0 HB3 LEU A 8 2.525 7.297 -2.652 1.00 0.00 H new ATOM 0 HG LEU A 8 0.631 6.572 -1.103 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -1.642 7.169 -1.814 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -0.728 8.598 -1.275 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -0.972 8.300 -3.013 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -0.454 5.263 -2.885 1.00 0.00 H new ATOM 0 HD22 LEU A 8 0.259 6.341 -4.109 1.00 0.00 H new ATOM 0 HD23 LEU A 8 1.312 5.320 -3.101 1.00 0.00 H new ATOM 125 N HIS A 9 3.779 7.393 -0.443 1.00 0.00 N ATOM 126 CA HIS A 9 4.491 6.646 0.589 1.00 0.00 C ATOM 127 C HIS A 9 4.699 7.524 1.811 1.00 0.00 C ATOM 128 O HIS A 9 4.395 7.136 2.938 1.00 0.00 O ATOM 129 CB HIS A 9 5.852 6.178 0.075 1.00 0.00 C ATOM 130 CG HIS A 9 6.698 5.542 1.136 1.00 0.00 C ATOM 131 ND1 HIS A 9 7.882 5.925 1.671 1.00 0.00 N flip ATOM 132 CD2 HIS A 9 6.340 4.384 1.793 1.00 0.00 C flip ATOM 133 CE1 HIS A 9 8.211 5.002 2.632 1.00 0.00 C flip ATOM 134 NE2 HIS A 9 7.265 4.084 2.688 1.00 0.00 N flip ATOM 0 H HIS A 9 4.167 7.294 -1.381 1.00 0.00 H new ATOM 0 HA HIS A 9 3.891 5.775 0.855 1.00 0.00 H new ATOM 0 HB2 HIS A 9 5.701 5.465 -0.736 1.00 0.00 H new ATOM 0 HB3 HIS A 9 6.387 7.030 -0.345 1.00 0.00 H new ATOM 0 HD2 HIS A 9 5.444 3.811 1.606 1.00 0.00 H new ATOM 0 HE1 HIS A 9 9.101 5.024 3.244 1.00 0.00 H new ATOM 0 HE2 HIS A 9 7.250 3.280 3.315 1.00 0.00 H new ATOM 143 N ARG A 10 5.226 8.714 1.564 1.00 0.00 N ATOM 144 CA ARG A 10 5.487 9.667 2.628 1.00 0.00 C ATOM 145 C ARG A 10 4.219 9.971 3.424 1.00 0.00 C ATOM 146 O ARG A 10 4.225 9.886 4.651 1.00 0.00 O ATOM 147 CB ARG A 10 6.076 10.956 2.054 1.00 0.00 C ATOM 148 CG ARG A 10 7.548 10.844 1.690 1.00 0.00 C ATOM 149 CD ARG A 10 8.423 10.740 2.929 1.00 0.00 C ATOM 150 NE ARG A 10 9.725 10.150 2.631 1.00 0.00 N ATOM 151 CZ ARG A 10 10.743 10.828 2.105 1.00 0.00 C ATOM 152 NH1 ARG A 10 10.615 12.117 1.818 1.00 0.00 N ATOM 153 NH2 ARG A 10 11.893 10.213 1.864 1.00 0.00 N ATOM 0 H ARG A 10 5.481 9.042 0.632 1.00 0.00 H new ATOM 0 HA ARG A 10 6.211 9.220 3.309 1.00 0.00 H new ATOM 0 HB2 ARG A 10 5.511 11.239 1.166 1.00 0.00 H new ATOM 0 HB3 ARG A 10 5.950 11.758 2.781 1.00 0.00 H new ATOM 0 HG2 ARG A 10 7.702 9.968 1.060 1.00 0.00 H new ATOM 0 HG3 ARG A 10 7.846 11.714 1.105 1.00 0.00 H new ATOM 0 HD2 ARG A 10 8.564 11.732 3.358 1.00 0.00 H new ATOM 0 HD3 ARG A 10 7.915 10.137 3.682 1.00 0.00 H new ATOM 0 HE ARG A 10 9.863 9.161 2.838 1.00 0.00 H new ATOM 0 HH11 ARG A 10 9.732 12.595 2.000 1.00 0.00 H new ATOM 0 HH12 ARG A 10 11.399 12.630 1.415 1.00 0.00 H new ATOM 0 HH21 ARG A 10 11.997 9.222 2.082 1.00 0.00 H new ATOM 0 HH22 ARG A 10 12.674 10.731 1.461 1.00 0.00 H new ATOM 167 N GLN A 11 3.133 10.328 2.734 1.00 0.00 N ATOM 168 CA GLN A 11 1.883 10.644 3.421 1.00 0.00 C ATOM 169 C GLN A 11 1.227 9.389 4.013 1.00 0.00 C ATOM 170 O GLN A 11 0.933 9.345 5.211 1.00 0.00 O ATOM 171 CB GLN A 11 0.922 11.425 2.514 1.00 0.00 C ATOM 172 CG GLN A 11 0.200 10.613 1.457 1.00 0.00 C ATOM 173 CD GLN A 11 -0.018 11.411 0.200 1.00 0.00 C ATOM 174 OE1 GLN A 11 0.843 11.475 -0.671 1.00 0.00 O ATOM 175 NE2 GLN A 11 -1.175 12.038 0.106 1.00 0.00 N ATOM 0 H GLN A 11 3.095 10.404 1.718 1.00 0.00 H new ATOM 0 HA GLN A 11 2.129 11.296 4.259 1.00 0.00 H new ATOM 0 HB2 GLN A 11 0.176 11.912 3.142 1.00 0.00 H new ATOM 0 HB3 GLN A 11 1.485 12.215 2.016 1.00 0.00 H new ATOM 0 HG2 GLN A 11 0.779 9.719 1.225 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -0.761 10.278 1.848 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -1.862 11.956 0.856 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -1.383 12.605 -0.716 1.00 0.00 H new ATOM 184 N VAL A 12 1.020 8.364 3.187 1.00 0.00 N ATOM 185 CA VAL A 12 0.415 7.114 3.648 1.00 0.00 C ATOM 186 C VAL A 12 1.187 6.520 4.818 1.00 0.00 C ATOM 187 O VAL A 12 0.604 6.182 5.850 1.00 0.00 O ATOM 188 CB VAL A 12 0.306 6.071 2.507 1.00 0.00 C ATOM 189 CG1 VAL A 12 1.677 5.706 1.945 1.00 0.00 C ATOM 190 CG2 VAL A 12 -0.427 4.825 2.990 1.00 0.00 C ATOM 0 H VAL A 12 1.262 8.374 2.196 1.00 0.00 H new ATOM 0 HA VAL A 12 -0.592 7.362 3.983 1.00 0.00 H new ATOM 0 HB VAL A 12 -0.269 6.523 1.699 1.00 0.00 H new ATOM 0 HG11 VAL A 12 1.560 4.972 1.147 1.00 0.00 H new ATOM 0 HG12 VAL A 12 2.157 6.600 1.548 1.00 0.00 H new ATOM 0 HG13 VAL A 12 2.295 5.284 2.738 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -0.494 4.104 2.176 1.00 0.00 H new ATOM 0 HG22 VAL A 12 0.119 4.382 3.823 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -1.430 5.097 3.317 1.00 0.00 H new ATOM 200 N SER A 13 2.496 6.405 4.665 1.00 0.00 N ATOM 201 CA SER A 13 3.330 5.862 5.721 1.00 0.00 C ATOM 202 C SER A 13 3.298 6.771 6.941 1.00 0.00 C ATOM 203 O SER A 13 3.191 6.302 8.068 1.00 0.00 O ATOM 204 CB SER A 13 4.769 5.691 5.231 1.00 0.00 C ATOM 205 OG SER A 13 5.474 4.762 6.036 1.00 0.00 O ATOM 0 H SER A 13 3.001 6.680 3.823 1.00 0.00 H new ATOM 0 HA SER A 13 2.938 4.884 6.001 1.00 0.00 H new ATOM 0 HB2 SER A 13 4.766 5.351 4.195 1.00 0.00 H new ATOM 0 HB3 SER A 13 5.280 6.654 5.249 1.00 0.00 H new ATOM 0 HG SER A 13 6.391 4.669 5.702 1.00 0.00 H new ATOM 211 N ARG A 14 3.395 8.077 6.709 1.00 0.00 N ATOM 212 CA ARG A 14 3.388 9.044 7.801 1.00 0.00 C ATOM 213 C ARG A 14 2.175 8.873 8.711 1.00 0.00 C ATOM 214 O ARG A 14 2.309 8.922 9.934 1.00 0.00 O ATOM 215 CB ARG A 14 3.433 10.476 7.263 1.00 0.00 C ATOM 216 CG ARG A 14 4.837 11.062 7.216 1.00 0.00 C ATOM 217 CD ARG A 14 4.908 12.415 7.910 1.00 0.00 C ATOM 218 NE ARG A 14 5.574 12.333 9.209 1.00 0.00 N ATOM 219 CZ ARG A 14 4.934 12.204 10.370 1.00 0.00 C ATOM 220 NH1 ARG A 14 3.609 12.125 10.407 1.00 0.00 N ATOM 221 NH2 ARG A 14 5.624 12.151 11.501 1.00 0.00 N ATOM 0 H ARG A 14 3.479 8.488 5.779 1.00 0.00 H new ATOM 0 HA ARG A 14 4.283 8.855 8.394 1.00 0.00 H new ATOM 0 HB2 ARG A 14 3.007 10.493 6.260 1.00 0.00 H new ATOM 0 HB3 ARG A 14 2.804 11.110 7.887 1.00 0.00 H new ATOM 0 HG2 ARG A 14 5.535 10.373 7.691 1.00 0.00 H new ATOM 0 HG3 ARG A 14 5.152 11.169 6.178 1.00 0.00 H new ATOM 0 HD2 ARG A 14 5.442 13.121 7.273 1.00 0.00 H new ATOM 0 HD3 ARG A 14 3.900 12.806 8.044 1.00 0.00 H new ATOM 0 HE ARG A 14 6.593 12.377 9.227 1.00 0.00 H new ATOM 0 HH11 ARG A 14 3.071 12.163 9.541 1.00 0.00 H new ATOM 0 HH12 ARG A 14 3.129 12.026 11.301 1.00 0.00 H new ATOM 0 HH21 ARG A 14 6.642 12.209 11.480 1.00 0.00 H new ATOM 0 HH22 ARG A 14 5.137 12.052 12.392 1.00 0.00 H new ATOM 235 N LEU A 15 0.990 8.680 8.131 1.00 0.00 N ATOM 236 CA LEU A 15 -0.206 8.517 8.955 1.00 0.00 C ATOM 237 C LEU A 15 -0.249 7.139 9.589 1.00 0.00 C ATOM 238 O LEU A 15 -0.458 7.005 10.793 1.00 0.00 O ATOM 239 CB LEU A 15 -1.514 8.757 8.188 1.00 0.00 C ATOM 240 CG LEU A 15 -1.498 8.379 6.717 1.00 0.00 C ATOM 241 CD1 LEU A 15 -2.637 7.422 6.393 1.00 0.00 C ATOM 242 CD2 LEU A 15 -1.584 9.620 5.843 1.00 0.00 C ATOM 0 H LEU A 15 0.834 8.634 7.124 1.00 0.00 H new ATOM 0 HA LEU A 15 -0.132 9.283 9.727 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -2.309 8.196 8.679 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -1.772 9.813 8.269 1.00 0.00 H new ATOM 0 HG LEU A 15 -0.555 7.874 6.508 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -2.606 7.165 5.334 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.532 6.516 6.990 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -3.590 7.899 6.623 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -1.571 9.327 4.793 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -2.509 10.154 6.059 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -0.733 10.270 6.049 1.00 0.00 H new ATOM 254 N VAL A 16 -0.081 6.116 8.767 1.00 0.00 N ATOM 255 CA VAL A 16 -0.137 4.742 9.242 1.00 0.00 C ATOM 256 C VAL A 16 1.097 4.320 10.038 1.00 0.00 C ATOM 257 O VAL A 16 1.135 3.216 10.577 1.00 0.00 O ATOM 258 CB VAL A 16 -0.363 3.769 8.072 1.00 0.00 C ATOM 259 CG1 VAL A 16 0.870 3.673 7.192 1.00 0.00 C ATOM 260 CG2 VAL A 16 -0.770 2.398 8.587 1.00 0.00 C ATOM 0 H VAL A 16 0.095 6.211 7.767 1.00 0.00 H new ATOM 0 HA VAL A 16 -0.984 4.699 9.927 1.00 0.00 H new ATOM 0 HB VAL A 16 -1.176 4.160 7.461 1.00 0.00 H new ATOM 0 HG11 VAL A 16 0.680 2.978 6.374 1.00 0.00 H new ATOM 0 HG12 VAL A 16 1.104 4.657 6.785 1.00 0.00 H new ATOM 0 HG13 VAL A 16 1.712 3.315 7.784 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -0.925 1.724 7.744 1.00 0.00 H new ATOM 0 HG22 VAL A 16 0.017 2.002 9.228 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -1.694 2.484 9.158 1.00 0.00 H new ATOM 270 N GLN A 17 2.100 5.182 10.126 1.00 0.00 N ATOM 271 CA GLN A 17 3.302 4.843 10.880 1.00 0.00 C ATOM 272 C GLN A 17 3.211 5.344 12.320 1.00 0.00 C ATOM 273 O GLN A 17 4.094 5.073 13.134 1.00 0.00 O ATOM 274 CB GLN A 17 4.554 5.401 10.201 1.00 0.00 C ATOM 275 CG GLN A 17 5.021 4.566 9.017 1.00 0.00 C ATOM 276 CD GLN A 17 6.187 3.663 9.366 1.00 0.00 C ATOM 277 OE1 GLN A 17 6.091 2.824 10.262 1.00 0.00 O ATOM 278 NE2 GLN A 17 7.299 3.829 8.659 1.00 0.00 N ATOM 0 H GLN A 17 2.109 6.106 9.694 1.00 0.00 H new ATOM 0 HA GLN A 17 3.378 3.756 10.901 1.00 0.00 H new ATOM 0 HB2 GLN A 17 4.353 6.417 9.863 1.00 0.00 H new ATOM 0 HB3 GLN A 17 5.359 5.462 10.933 1.00 0.00 H new ATOM 0 HG2 GLN A 17 4.191 3.959 8.655 1.00 0.00 H new ATOM 0 HG3 GLN A 17 5.310 5.228 8.201 1.00 0.00 H new ATOM 0 HE21 GLN A 17 7.336 4.536 7.925 1.00 0.00 H new ATOM 0 HE22 GLN A 17 8.116 3.249 8.850 1.00 0.00 H new ATOM 287 N GLN A 18 2.141 6.071 12.633 1.00 0.00 N ATOM 288 CA GLN A 18 1.947 6.597 13.982 1.00 0.00 C ATOM 289 C GLN A 18 0.466 6.799 14.290 1.00 0.00 C ATOM 290 O GLN A 18 0.010 6.515 15.398 1.00 0.00 O ATOM 291 CB GLN A 18 2.706 7.916 14.168 1.00 0.00 C ATOM 292 CG GLN A 18 2.957 8.679 12.876 1.00 0.00 C ATOM 293 CD GLN A 18 4.020 9.747 13.032 1.00 0.00 C ATOM 294 OE1 GLN A 18 5.009 9.766 12.300 1.00 0.00 O ATOM 295 NE2 GLN A 18 3.821 10.643 13.992 1.00 0.00 N ATOM 0 H GLN A 18 1.399 6.308 11.975 1.00 0.00 H new ATOM 0 HA GLN A 18 2.346 5.861 14.680 1.00 0.00 H new ATOM 0 HB2 GLN A 18 2.143 8.553 14.849 1.00 0.00 H new ATOM 0 HB3 GLN A 18 3.663 7.707 14.645 1.00 0.00 H new ATOM 0 HG2 GLN A 18 3.261 7.979 12.097 1.00 0.00 H new ATOM 0 HG3 GLN A 18 2.027 9.141 12.544 1.00 0.00 H new ATOM 0 HE21 GLN A 18 2.986 10.589 14.575 1.00 0.00 H new ATOM 0 HE22 GLN A 18 4.503 11.386 14.146 1.00 0.00 H new ATOM 304 N GLU A 19 -0.282 7.296 13.310 1.00 0.00 N ATOM 305 CA GLU A 19 -1.710 7.537 13.485 1.00 0.00 C ATOM 306 C GLU A 19 -2.530 6.305 13.108 1.00 0.00 C ATOM 307 O GLU A 19 -3.163 5.685 13.962 1.00 0.00 O ATOM 308 CB GLU A 19 -2.149 8.735 12.642 1.00 0.00 C ATOM 309 CG GLU A 19 -3.539 9.245 12.985 1.00 0.00 C ATOM 310 CD GLU A 19 -3.622 10.759 12.975 1.00 0.00 C ATOM 311 OE1 GLU A 19 -2.974 11.394 13.833 1.00 0.00 O ATOM 312 OE2 GLU A 19 -4.335 11.309 12.110 1.00 0.00 O ATOM 0 H GLU A 19 0.077 7.540 12.387 1.00 0.00 H new ATOM 0 HA GLU A 19 -1.888 7.753 14.538 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -1.431 9.544 12.775 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -2.123 8.456 11.589 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -4.257 8.840 12.272 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -3.825 8.875 13.970 1.00 0.00 H new ATOM 319 N SER A 20 -2.515 5.958 11.824 1.00 0.00 N ATOM 320 CA SER A 20 -3.259 4.804 11.333 1.00 0.00 C ATOM 321 C SER A 20 -2.634 3.502 11.831 1.00 0.00 C ATOM 322 O SER A 20 -3.337 2.523 12.085 1.00 0.00 O ATOM 323 CB SER A 20 -3.315 4.823 9.802 1.00 0.00 C ATOM 324 OG SER A 20 -3.188 6.144 9.305 1.00 0.00 O ATOM 0 H SER A 20 -1.995 6.461 11.105 1.00 0.00 H new ATOM 0 HA SER A 20 -4.276 4.860 11.721 1.00 0.00 H new ATOM 0 HB2 SER A 20 -2.517 4.200 9.398 1.00 0.00 H new ATOM 0 HB3 SER A 20 -4.258 4.393 9.464 1.00 0.00 H new ATOM 0 HG SER A 20 -3.796 6.737 9.793 1.00 0.00 H new ATOM 330 N GLY A 21 -1.312 3.503 11.986 1.00 0.00 N ATOM 331 CA GLY A 21 -0.615 2.323 12.473 1.00 0.00 C ATOM 332 C GLY A 21 -0.462 1.230 11.428 1.00 0.00 C ATOM 333 O GLY A 21 0.652 0.784 11.150 1.00 0.00 O ATOM 0 H GLY A 21 -0.710 4.301 11.783 1.00 0.00 H new ATOM 0 HA2 GLY A 21 0.373 2.616 12.827 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -1.155 1.921 13.330 1.00 0.00 H new ATOM 337 N ASP A 22 -1.578 0.786 10.861 1.00 0.00 N ATOM 338 CA ASP A 22 -1.556 -0.277 9.855 1.00 0.00 C ATOM 339 C ASP A 22 -2.960 -0.559 9.298 1.00 0.00 C ATOM 340 O ASP A 22 -3.161 -1.528 8.567 1.00 0.00 O ATOM 341 CB ASP A 22 -0.968 -1.549 10.475 1.00 0.00 C ATOM 342 CG ASP A 22 -2.025 -2.528 10.961 1.00 0.00 C ATOM 343 OD1 ASP A 22 -2.962 -2.090 11.661 1.00 0.00 O ATOM 344 OD2 ASP A 22 -1.912 -3.730 10.642 1.00 0.00 O ATOM 0 H ASP A 22 -2.509 1.143 11.078 1.00 0.00 H new ATOM 0 HA ASP A 22 -0.934 0.051 9.022 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -0.336 -2.045 9.738 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -0.326 -1.273 11.312 1.00 0.00 H new ATOM 349 N CYS A 23 -3.921 0.286 9.663 1.00 0.00 N ATOM 350 CA CYS A 23 -5.306 0.138 9.218 1.00 0.00 C ATOM 351 C CYS A 23 -5.393 0.115 7.690 1.00 0.00 C ATOM 352 O CYS A 23 -4.440 -0.278 7.019 1.00 0.00 O ATOM 353 CB CYS A 23 -6.148 1.278 9.802 1.00 0.00 C ATOM 354 SG CYS A 23 -7.506 0.718 10.855 1.00 0.00 S ATOM 0 H CYS A 23 -3.764 1.089 10.272 1.00 0.00 H new ATOM 0 HA CYS A 23 -5.697 -0.814 9.577 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -5.500 1.936 10.381 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -6.556 1.871 8.984 1.00 0.00 H new ATOM 0 HG CYS A 23 -7.250 1.023 12.092 1.00 0.00 H new ATOM 360 N THR A 24 -6.529 0.534 7.133 1.00 0.00 N ATOM 361 CA THR A 24 -6.686 0.538 5.684 1.00 0.00 C ATOM 362 C THR A 24 -6.553 1.952 5.142 1.00 0.00 C ATOM 363 O THR A 24 -6.803 2.921 5.852 1.00 0.00 O ATOM 364 CB THR A 24 -8.035 -0.059 5.281 1.00 0.00 C ATOM 365 OG1 THR A 24 -8.826 -0.334 6.424 1.00 0.00 O ATOM 366 CG2 THR A 24 -7.909 -1.345 4.491 1.00 0.00 C ATOM 0 H THR A 24 -7.339 0.869 7.654 1.00 0.00 H new ATOM 0 HA THR A 24 -5.897 -0.079 5.254 1.00 0.00 H new ATOM 0 HB THR A 24 -8.505 0.694 4.648 1.00 0.00 H new ATOM 0 HG1 THR A 24 -9.764 -0.128 6.230 1.00 0.00 H new ATOM 0 HG21 THR A 24 -8.902 -1.715 4.237 1.00 0.00 H new ATOM 0 HG22 THR A 24 -7.347 -1.156 3.576 1.00 0.00 H new ATOM 0 HG23 THR A 24 -7.386 -2.090 5.090 1.00 0.00 H new ATOM 374 N GLY A 25 -6.129 2.068 3.890 1.00 0.00 N ATOM 375 CA GLY A 25 -5.946 3.375 3.299 1.00 0.00 C ATOM 376 C GLY A 25 -6.915 3.669 2.177 1.00 0.00 C ATOM 377 O GLY A 25 -6.998 2.926 1.200 1.00 0.00 O ATOM 0 H GLY A 25 -5.910 1.283 3.277 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -6.057 4.134 4.073 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -4.927 3.454 2.919 1.00 0.00 H new ATOM 381 N LYS A 26 -7.631 4.776 2.308 1.00 0.00 N ATOM 382 CA LYS A 26 -8.578 5.196 1.286 1.00 0.00 C ATOM 383 C LYS A 26 -8.017 6.424 0.583 1.00 0.00 C ATOM 384 O LYS A 26 -7.611 7.380 1.243 1.00 0.00 O ATOM 385 CB LYS A 26 -9.958 5.473 1.915 1.00 0.00 C ATOM 386 CG LYS A 26 -10.381 6.939 1.937 1.00 0.00 C ATOM 387 CD LYS A 26 -10.929 7.389 0.590 1.00 0.00 C ATOM 388 CE LYS A 26 -11.395 8.835 0.636 1.00 0.00 C ATOM 389 NZ LYS A 26 -12.265 9.176 -0.524 1.00 0.00 N ATOM 0 H LYS A 26 -7.574 5.400 3.113 1.00 0.00 H new ATOM 0 HA LYS A 26 -8.719 4.404 0.550 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -10.709 4.903 1.368 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -9.955 5.097 2.938 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -11.139 7.087 2.706 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -9.527 7.560 2.208 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -10.159 7.277 -0.173 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -11.760 6.746 0.301 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -11.941 9.011 1.563 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -10.528 9.496 0.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -12.103 10.166 -0.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -12.037 8.552 -1.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -13.263 9.049 -0.259 1.00 0.00 H new ATOM 403 N LEU A 27 -7.948 6.398 -0.747 1.00 0.00 N ATOM 404 CA LEU A 27 -7.379 7.535 -1.454 1.00 0.00 C ATOM 405 C LEU A 27 -7.685 7.581 -2.937 1.00 0.00 C ATOM 406 O LEU A 27 -8.102 6.600 -3.553 1.00 0.00 O ATOM 407 CB LEU A 27 -5.876 7.561 -1.273 1.00 0.00 C ATOM 408 CG LEU A 27 -5.232 6.217 -1.421 1.00 0.00 C ATOM 409 CD1 LEU A 27 -4.169 6.226 -2.512 1.00 0.00 C ATOM 410 CD2 LEU A 27 -4.662 5.743 -0.097 1.00 0.00 C ATOM 0 H LEU A 27 -8.268 5.629 -1.336 1.00 0.00 H new ATOM 0 HA LEU A 27 -7.855 8.409 -1.009 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -5.442 8.245 -2.002 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -5.644 7.959 -0.285 1.00 0.00 H new ATOM 0 HG LEU A 27 -6.003 5.509 -1.727 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -3.722 5.235 -2.593 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -4.627 6.496 -3.464 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -3.397 6.953 -2.261 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -4.199 4.765 -0.229 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -3.913 6.454 0.252 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -5.463 5.669 0.638 1.00 0.00 H new ATOM 422 N ARG A 28 -7.416 8.755 -3.490 1.00 0.00 N ATOM 423 CA ARG A 28 -7.584 9.029 -4.904 1.00 0.00 C ATOM 424 C ARG A 28 -6.447 9.939 -5.360 1.00 0.00 C ATOM 425 O ARG A 28 -5.769 9.670 -6.351 1.00 0.00 O ATOM 426 CB ARG A 28 -8.946 9.670 -5.184 1.00 0.00 C ATOM 427 CG ARG A 28 -9.988 8.681 -5.687 1.00 0.00 C ATOM 428 CD ARG A 28 -10.774 8.063 -4.540 1.00 0.00 C ATOM 429 NE ARG A 28 -11.732 7.058 -5.006 1.00 0.00 N ATOM 430 CZ ARG A 28 -12.981 6.950 -4.552 1.00 0.00 C ATOM 431 NH1 ARG A 28 -13.429 7.761 -3.600 1.00 0.00 N ATOM 432 NH2 ARG A 28 -13.785 6.020 -5.047 1.00 0.00 N ATOM 0 H ARG A 28 -7.070 9.554 -2.958 1.00 0.00 H new ATOM 0 HA ARG A 28 -7.552 8.094 -5.463 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -9.313 10.140 -4.271 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -8.822 10.462 -5.922 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -10.673 9.188 -6.367 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -9.497 7.893 -6.258 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -10.083 7.604 -3.834 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -11.306 8.848 -4.001 1.00 0.00 H new ATOM 0 HE ARG A 28 -11.425 6.400 -5.722 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -12.816 8.476 -3.209 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -14.386 7.669 -3.261 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -13.448 5.389 -5.774 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -14.741 5.936 -4.701 1.00 0.00 H new ATOM 446 N GLY A 29 -6.224 10.993 -4.583 1.00 0.00 N ATOM 447 CA GLY A 29 -5.143 11.930 -4.845 1.00 0.00 C ATOM 448 C GLY A 29 -4.328 12.181 -3.582 1.00 0.00 C ATOM 449 O GLY A 29 -3.417 13.008 -3.560 1.00 0.00 O ATOM 0 H GLY A 29 -6.784 11.219 -3.761 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -4.496 11.536 -5.629 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -5.552 12.871 -5.212 1.00 0.00 H new ATOM 453 N ASN A 30 -4.684 11.446 -2.530 1.00 0.00 N ATOM 454 CA ASN A 30 -4.044 11.522 -1.227 1.00 0.00 C ATOM 455 C ASN A 30 -4.501 10.310 -0.427 1.00 0.00 C ATOM 456 O ASN A 30 -5.555 9.770 -0.728 1.00 0.00 O ATOM 457 CB ASN A 30 -4.439 12.826 -0.516 1.00 0.00 C ATOM 458 CG ASN A 30 -5.308 12.601 0.713 1.00 0.00 C ATOM 459 OD1 ASN A 30 -6.355 11.786 0.573 1.00 0.00 O flip ATOM 460 ND2 ASN A 30 -5.041 13.154 1.780 1.00 0.00 N flip ATOM 0 H ASN A 30 -5.444 10.766 -2.565 1.00 0.00 H new ATOM 0 HA ASN A 30 -2.959 11.522 -1.327 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -3.535 13.359 -0.221 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -4.973 13.467 -1.218 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -4.231 13.770 1.846 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -5.630 12.996 2.598 1.00 0.00 H new ATOM 467 N VAL A 31 -3.755 9.891 0.582 1.00 0.00 N ATOM 468 CA VAL A 31 -4.155 8.734 1.368 1.00 0.00 C ATOM 469 C VAL A 31 -4.765 9.103 2.709 1.00 0.00 C ATOM 470 O VAL A 31 -4.222 9.893 3.481 1.00 0.00 O ATOM 471 CB VAL A 31 -2.976 7.792 1.625 1.00 0.00 C ATOM 472 CG1 VAL A 31 -1.888 8.520 2.384 1.00 0.00 C ATOM 473 CG2 VAL A 31 -3.418 6.548 2.389 1.00 0.00 C ATOM 0 H VAL A 31 -2.880 10.327 0.874 1.00 0.00 H new ATOM 0 HA VAL A 31 -4.914 8.235 0.766 1.00 0.00 H new ATOM 0 HB VAL A 31 -2.582 7.468 0.662 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -1.053 7.842 2.563 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -1.544 9.373 1.799 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -2.282 8.870 3.338 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -2.558 5.899 2.556 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -3.842 6.842 3.349 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -4.170 6.013 1.809 1.00 0.00 H new ATOM 483 N ALA A 32 -5.899 8.475 2.960 1.00 0.00 N ATOM 484 CA ALA A 32 -6.651 8.643 4.193 1.00 0.00 C ATOM 485 C ALA A 32 -6.633 7.336 4.980 1.00 0.00 C ATOM 486 O ALA A 32 -6.260 6.292 4.441 1.00 0.00 O ATOM 487 CB ALA A 32 -8.080 9.072 3.893 1.00 0.00 C ATOM 0 H ALA A 32 -6.331 7.824 2.304 1.00 0.00 H new ATOM 0 HA ALA A 32 -6.186 9.425 4.793 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -8.627 9.193 4.828 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -8.070 10.019 3.353 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -8.568 8.312 3.283 1.00 0.00 H new ATOM 493 N ALA A 33 -7.021 7.387 6.249 1.00 0.00 N ATOM 494 CA ALA A 33 -7.015 6.190 7.083 1.00 0.00 C ATOM 495 C ALA A 33 -8.418 5.626 7.273 1.00 0.00 C ATOM 496 O ALA A 33 -9.374 6.360 7.522 1.00 0.00 O ATOM 497 CB ALA A 33 -6.382 6.495 8.433 1.00 0.00 C ATOM 0 H ALA A 33 -7.340 8.234 6.719 1.00 0.00 H new ATOM 0 HA ALA A 33 -6.422 5.432 6.571 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -6.383 5.594 9.047 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -5.356 6.833 8.286 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -6.953 7.277 8.934 1.00 0.00 H new ATOM 503 N ASN A 34 -8.521 4.307 7.142 1.00 0.00 N ATOM 504 CA ASN A 34 -9.787 3.603 7.282 1.00 0.00 C ATOM 505 C ASN A 34 -9.748 2.658 8.477 1.00 0.00 C ATOM 506 O ASN A 34 -8.948 1.716 8.514 1.00 0.00 O ATOM 507 CB ASN A 34 -10.095 2.814 6.005 1.00 0.00 C ATOM 508 CG ASN A 34 -11.343 1.958 6.130 1.00 0.00 C ATOM 509 OD1 ASN A 34 -11.231 0.687 5.756 1.00 0.00 O flip ATOM 510 ND2 ASN A 34 -12.394 2.434 6.557 1.00 0.00 N flip ATOM 0 H ASN A 34 -7.729 3.698 6.936 1.00 0.00 H new ATOM 0 HA ASN A 34 -10.573 4.340 7.447 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -10.218 3.509 5.174 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -9.245 2.176 5.763 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -12.435 3.415 6.833 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -13.225 1.847 6.635 1.00 0.00 H new ATOM 517 N LYS A 35 -10.621 2.918 9.446 1.00 0.00 N ATOM 518 CA LYS A 35 -10.708 2.100 10.648 1.00 0.00 C ATOM 519 C LYS A 35 -12.118 1.547 10.824 1.00 0.00 C ATOM 520 O LYS A 35 -12.305 0.454 11.359 1.00 0.00 O ATOM 521 CB LYS A 35 -10.310 2.916 11.879 1.00 0.00 C ATOM 522 CG LYS A 35 -8.929 3.542 11.772 1.00 0.00 C ATOM 523 CD LYS A 35 -8.910 4.953 12.338 1.00 0.00 C ATOM 524 CE LYS A 35 -9.263 5.984 11.279 1.00 0.00 C ATOM 525 NZ LYS A 35 -10.181 7.031 11.807 1.00 0.00 N ATOM 0 H LYS A 35 -11.282 3.695 9.420 1.00 0.00 H new ATOM 0 HA LYS A 35 -10.017 1.264 10.540 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -11.046 3.704 12.036 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -10.341 2.272 12.758 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -8.207 2.925 12.306 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -8.619 3.564 10.727 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -9.616 5.024 13.165 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -7.922 5.170 12.743 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -8.351 6.453 10.911 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -9.731 5.486 10.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -10.397 7.715 11.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -11.062 6.587 12.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -9.725 7.524 12.601 1.00 0.00 H new ATOM 539 N GLU A 36 -13.108 2.307 10.366 1.00 0.00 N ATOM 540 CA GLU A 36 -14.501 1.890 10.469 1.00 0.00 C ATOM 541 C GLU A 36 -14.728 0.592 9.704 1.00 0.00 C ATOM 542 O GLU A 36 -15.220 -0.392 10.257 1.00 0.00 O ATOM 543 CB GLU A 36 -15.424 2.984 9.930 1.00 0.00 C ATOM 544 CG GLU A 36 -16.900 2.638 10.026 1.00 0.00 C ATOM 545 CD GLU A 36 -17.729 3.319 8.955 1.00 0.00 C ATOM 546 OE1 GLU A 36 -17.693 2.859 7.794 1.00 0.00 O ATOM 547 OE2 GLU A 36 -18.415 4.312 9.277 1.00 0.00 O ATOM 0 H GLU A 36 -12.971 3.214 9.920 1.00 0.00 H new ATOM 0 HA GLU A 36 -14.732 1.720 11.521 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -15.239 3.907 10.480 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -15.172 3.179 8.887 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -17.022 1.558 9.943 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -17.274 2.927 11.008 1.00 0.00 H new ATOM 554 N THR A 37 -14.356 0.596 8.428 1.00 0.00 N ATOM 555 CA THR A 37 -14.508 -0.581 7.582 1.00 0.00 C ATOM 556 C THR A 37 -13.327 -1.528 7.773 1.00 0.00 C ATOM 557 O THR A 37 -12.557 -1.387 8.723 1.00 0.00 O ATOM 558 CB THR A 37 -14.625 -0.171 6.111 1.00 0.00 C ATOM 559 OG1 THR A 37 -14.490 1.232 5.967 1.00 0.00 O ATOM 560 CG2 THR A 37 -15.942 -0.570 5.482 1.00 0.00 C ATOM 0 H THR A 37 -13.947 1.403 7.957 1.00 0.00 H new ATOM 0 HA THR A 37 -15.422 -1.099 7.872 1.00 0.00 H new ATOM 0 HB THR A 37 -13.820 -0.700 5.600 1.00 0.00 H new ATOM 0 HG1 THR A 37 -14.050 1.433 5.115 1.00 0.00 H new ATOM 0 HG21 THR A 37 -15.959 -0.250 4.440 1.00 0.00 H new ATOM 0 HG22 THR A 37 -16.055 -1.653 5.531 1.00 0.00 H new ATOM 0 HG23 THR A 37 -16.761 -0.095 6.021 1.00 0.00 H new ATOM 568 N THR A 38 -13.188 -2.491 6.870 1.00 0.00 N ATOM 569 CA THR A 38 -12.096 -3.452 6.955 1.00 0.00 C ATOM 570 C THR A 38 -11.752 -4.027 5.586 1.00 0.00 C ATOM 571 O THR A 38 -12.430 -4.927 5.090 1.00 0.00 O ATOM 572 CB THR A 38 -12.457 -4.585 7.914 1.00 0.00 C ATOM 573 OG1 THR A 38 -13.707 -5.156 7.569 1.00 0.00 O ATOM 574 CG2 THR A 38 -12.536 -4.146 9.360 1.00 0.00 C ATOM 0 H THR A 38 -13.813 -2.627 6.076 1.00 0.00 H new ATOM 0 HA THR A 38 -11.221 -2.923 7.333 1.00 0.00 H new ATOM 0 HB THR A 38 -11.650 -5.312 7.817 1.00 0.00 H new ATOM 0 HG1 THR A 38 -13.742 -5.307 6.601 1.00 0.00 H new ATOM 0 HG21 THR A 38 -12.796 -5.000 9.986 1.00 0.00 H new ATOM 0 HG22 THR A 38 -11.571 -3.748 9.673 1.00 0.00 H new ATOM 0 HG23 THR A 38 -13.298 -3.374 9.465 1.00 0.00 H new ATOM 582 N PHE A 39 -10.684 -3.512 4.989 1.00 0.00 N ATOM 583 CA PHE A 39 -10.236 -3.986 3.683 1.00 0.00 C ATOM 584 C PHE A 39 -8.884 -4.669 3.791 1.00 0.00 C ATOM 585 O PHE A 39 -7.934 -4.113 4.334 1.00 0.00 O ATOM 586 CB PHE A 39 -10.158 -2.849 2.670 1.00 0.00 C ATOM 587 CG PHE A 39 -11.225 -1.805 2.850 1.00 0.00 C ATOM 588 CD1 PHE A 39 -12.552 -2.173 3.007 1.00 0.00 C ATOM 589 CD2 PHE A 39 -10.903 -0.458 2.866 1.00 0.00 C ATOM 590 CE1 PHE A 39 -13.537 -1.218 3.173 1.00 0.00 C ATOM 591 CE2 PHE A 39 -11.883 0.502 3.031 1.00 0.00 C ATOM 592 CZ PHE A 39 -13.201 0.122 3.185 1.00 0.00 C ATOM 0 H PHE A 39 -10.112 -2.767 5.387 1.00 0.00 H new ATOM 0 HA PHE A 39 -10.974 -4.708 3.333 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -9.180 -2.373 2.746 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -10.234 -3.264 1.665 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -12.820 -3.219 3.000 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -9.873 -0.154 2.748 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -14.567 -1.519 3.293 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -11.618 1.549 3.039 1.00 0.00 H new ATOM 0 HZ PHE A 39 -13.968 0.871 3.315 1.00 0.00 H new ATOM 602 N GLN A 40 -8.814 -5.878 3.261 1.00 0.00 N ATOM 603 CA GLN A 40 -7.587 -6.662 3.274 1.00 0.00 C ATOM 604 C GLN A 40 -7.123 -6.940 1.849 1.00 0.00 C ATOM 605 O GLN A 40 -5.925 -6.975 1.568 1.00 0.00 O ATOM 606 CB GLN A 40 -7.802 -7.980 4.022 1.00 0.00 C ATOM 607 CG GLN A 40 -9.104 -8.678 3.663 1.00 0.00 C ATOM 608 CD GLN A 40 -10.274 -8.195 4.498 1.00 0.00 C ATOM 609 OE1 GLN A 40 -10.288 -8.354 5.718 1.00 0.00 O ATOM 610 NE2 GLN A 40 -11.265 -7.603 3.841 1.00 0.00 N ATOM 0 H GLN A 40 -9.602 -6.344 2.811 1.00 0.00 H new ATOM 0 HA GLN A 40 -6.817 -6.089 3.790 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -6.969 -8.650 3.808 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -7.787 -7.786 5.095 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -9.322 -8.512 2.608 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -8.985 -9.753 3.798 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -11.211 -7.492 2.828 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -12.080 -7.259 4.349 1.00 0.00 H new ATOM 619 N GLY A 41 -8.085 -7.128 0.951 1.00 0.00 N ATOM 620 CA GLY A 41 -7.765 -7.392 -0.439 1.00 0.00 C ATOM 621 C GLY A 41 -8.973 -7.780 -1.273 1.00 0.00 C ATOM 622 O GLY A 41 -8.898 -7.762 -2.497 1.00 0.00 O ATOM 0 H GLY A 41 -9.083 -7.102 1.162 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -7.303 -6.505 -0.873 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -7.027 -8.192 -0.488 1.00 0.00 H new ATOM 626 N LEU A 42 -10.084 -8.130 -0.618 1.00 0.00 N ATOM 627 CA LEU A 42 -11.308 -8.527 -1.318 1.00 0.00 C ATOM 628 C LEU A 42 -11.628 -7.585 -2.488 1.00 0.00 C ATOM 629 O LEU A 42 -10.948 -6.580 -2.696 1.00 0.00 O ATOM 630 CB LEU A 42 -12.476 -8.614 -0.317 1.00 0.00 C ATOM 631 CG LEU A 42 -13.532 -7.510 -0.395 1.00 0.00 C ATOM 632 CD1 LEU A 42 -14.787 -8.020 -1.078 1.00 0.00 C ATOM 633 CD2 LEU A 42 -13.855 -6.979 0.995 1.00 0.00 C ATOM 0 H LEU A 42 -10.160 -8.146 0.399 1.00 0.00 H new ATOM 0 HA LEU A 42 -11.152 -9.514 -1.754 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -12.975 -9.573 -0.459 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -12.061 -8.617 0.691 1.00 0.00 H new ATOM 0 HG LEU A 42 -13.128 -6.690 -0.989 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -15.527 -7.221 -1.124 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -14.544 -8.348 -2.089 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -15.194 -8.858 -0.513 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -14.608 -6.195 0.919 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -14.237 -7.790 1.615 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -12.951 -6.572 1.448 1.00 0.00 H new ATOM 645 N THR A 43 -12.653 -7.934 -3.262 1.00 0.00 N ATOM 646 CA THR A 43 -13.044 -7.142 -4.430 1.00 0.00 C ATOM 647 C THR A 43 -14.374 -6.412 -4.229 1.00 0.00 C ATOM 648 O THR A 43 -15.237 -6.428 -5.107 1.00 0.00 O ATOM 649 CB THR A 43 -13.148 -8.048 -5.656 1.00 0.00 C ATOM 650 OG1 THR A 43 -11.985 -8.850 -5.794 1.00 0.00 O ATOM 651 CG2 THR A 43 -13.347 -7.284 -6.948 1.00 0.00 C ATOM 0 H THR A 43 -13.229 -8.760 -3.103 1.00 0.00 H new ATOM 0 HA THR A 43 -12.273 -6.386 -4.576 1.00 0.00 H new ATOM 0 HB THR A 43 -14.028 -8.668 -5.484 1.00 0.00 H new ATOM 0 HG1 THR A 43 -12.075 -9.423 -6.584 1.00 0.00 H new ATOM 0 HG21 THR A 43 -13.413 -7.986 -7.779 1.00 0.00 H new ATOM 0 HG22 THR A 43 -14.268 -6.703 -6.889 1.00 0.00 H new ATOM 0 HG23 THR A 43 -12.504 -6.612 -7.107 1.00 0.00 H new ATOM 659 N ILE A 44 -14.533 -5.762 -3.083 1.00 0.00 N ATOM 660 CA ILE A 44 -15.755 -5.013 -2.782 1.00 0.00 C ATOM 661 C ILE A 44 -17.013 -5.893 -2.788 1.00 0.00 C ATOM 662 O ILE A 44 -18.099 -5.421 -2.453 1.00 0.00 O ATOM 663 CB ILE A 44 -15.965 -3.847 -3.775 1.00 0.00 C ATOM 664 CG1 ILE A 44 -14.621 -3.262 -4.219 1.00 0.00 C ATOM 665 CG2 ILE A 44 -16.833 -2.766 -3.146 1.00 0.00 C ATOM 666 CD1 ILE A 44 -14.244 -3.630 -5.637 1.00 0.00 C ATOM 0 H ILE A 44 -13.832 -5.736 -2.343 1.00 0.00 H new ATOM 0 HA ILE A 44 -15.612 -4.622 -1.775 1.00 0.00 H new ATOM 0 HB ILE A 44 -16.475 -4.236 -4.656 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -14.659 -2.176 -4.131 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -13.841 -3.609 -3.542 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -16.972 -1.952 -3.857 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -17.803 -3.187 -2.882 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -16.346 -2.385 -2.248 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -13.282 -3.182 -5.885 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -14.174 -4.714 -5.725 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -15.005 -3.259 -6.324 1.00 0.00 H new ATOM 678 N ALA A 45 -16.875 -7.166 -3.162 1.00 0.00 N ATOM 679 CA ALA A 45 -18.015 -8.074 -3.193 1.00 0.00 C ATOM 680 C ALA A 45 -18.579 -8.274 -1.794 1.00 0.00 C ATOM 681 O ALA A 45 -19.717 -7.899 -1.510 1.00 0.00 O ATOM 682 CB ALA A 45 -17.613 -9.410 -3.800 1.00 0.00 C ATOM 0 H ALA A 45 -15.990 -7.586 -3.445 1.00 0.00 H new ATOM 0 HA ALA A 45 -18.791 -7.630 -3.816 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -18.475 -10.077 -3.816 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -17.256 -9.254 -4.818 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -16.819 -9.857 -3.202 1.00 0.00 H new ATOM 688 N SER A 46 -17.769 -8.864 -0.920 1.00 0.00 N ATOM 689 CA SER A 46 -18.171 -9.115 0.461 1.00 0.00 C ATOM 690 C SER A 46 -18.823 -7.877 1.074 1.00 0.00 C ATOM 691 O SER A 46 -19.828 -7.977 1.777 1.00 0.00 O ATOM 692 CB SER A 46 -16.961 -9.534 1.298 1.00 0.00 C ATOM 693 OG SER A 46 -17.351 -10.351 2.387 1.00 0.00 O ATOM 0 H SER A 46 -16.825 -9.179 -1.145 1.00 0.00 H new ATOM 0 HA SER A 46 -18.901 -9.924 0.458 1.00 0.00 H new ATOM 0 HB2 SER A 46 -16.251 -10.073 0.671 1.00 0.00 H new ATOM 0 HB3 SER A 46 -16.448 -8.647 1.670 1.00 0.00 H new ATOM 0 HG SER A 46 -16.559 -10.606 2.905 1.00 0.00 H new ATOM 699 N GLY A 47 -18.248 -6.709 0.796 1.00 0.00 N ATOM 700 CA GLY A 47 -18.798 -5.474 1.324 1.00 0.00 C ATOM 701 C GLY A 47 -17.757 -4.386 1.524 1.00 0.00 C ATOM 702 O GLY A 47 -17.833 -3.625 2.489 1.00 0.00 O ATOM 0 H GLY A 47 -17.415 -6.597 0.217 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -19.568 -5.109 0.645 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -19.285 -5.680 2.277 1.00 0.00 H new ATOM 706 N ALA A 48 -16.786 -4.300 0.617 1.00 0.00 N ATOM 707 CA ALA A 48 -15.743 -3.284 0.720 1.00 0.00 C ATOM 708 C ALA A 48 -16.135 -2.009 -0.026 1.00 0.00 C ATOM 709 O ALA A 48 -17.273 -1.864 -0.472 1.00 0.00 O ATOM 710 CB ALA A 48 -14.424 -3.826 0.197 1.00 0.00 C ATOM 0 H ALA A 48 -16.700 -4.917 -0.191 1.00 0.00 H new ATOM 0 HA ALA A 48 -15.623 -3.029 1.773 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -13.656 -3.057 0.280 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -14.131 -4.697 0.783 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -14.538 -4.114 -0.848 1.00 0.00 H new ATOM 716 N ARG A 49 -15.185 -1.082 -0.151 1.00 0.00 N ATOM 717 CA ARG A 49 -15.433 0.187 -0.834 1.00 0.00 C ATOM 718 C ARG A 49 -14.574 0.324 -2.094 1.00 0.00 C ATOM 719 O ARG A 49 -14.005 -0.654 -2.577 1.00 0.00 O ATOM 720 CB ARG A 49 -15.166 1.353 0.118 1.00 0.00 C ATOM 721 CG ARG A 49 -15.852 1.200 1.465 1.00 0.00 C ATOM 722 CD ARG A 49 -15.766 2.476 2.285 1.00 0.00 C ATOM 723 NE ARG A 49 -16.960 3.303 2.131 1.00 0.00 N ATOM 724 CZ ARG A 49 -18.158 2.970 2.606 1.00 0.00 C ATOM 725 NH1 ARG A 49 -18.325 1.833 3.270 1.00 0.00 N ATOM 726 NH2 ARG A 49 -19.193 3.777 2.417 1.00 0.00 N ATOM 0 H ARG A 49 -14.237 -1.186 0.212 1.00 0.00 H new ATOM 0 HA ARG A 49 -16.478 0.205 -1.142 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -14.091 1.446 0.274 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -15.502 2.279 -0.350 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -16.898 0.934 1.313 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -15.392 0.380 2.017 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -15.632 2.223 3.337 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -14.888 3.045 1.980 1.00 0.00 H new ATOM 0 HE ARG A 49 -16.871 4.187 1.630 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -17.533 1.208 3.419 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -19.246 1.584 3.631 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -19.071 4.652 1.908 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -20.111 3.522 2.781 1.00 0.00 H new ATOM 740 N GLU A 50 -14.501 1.543 -2.630 1.00 0.00 N ATOM 741 CA GLU A 50 -13.727 1.808 -3.844 1.00 0.00 C ATOM 742 C GLU A 50 -12.319 2.315 -3.527 1.00 0.00 C ATOM 743 O GLU A 50 -11.330 1.781 -4.026 1.00 0.00 O ATOM 744 CB GLU A 50 -14.460 2.827 -4.719 1.00 0.00 C ATOM 745 CG GLU A 50 -14.154 2.688 -6.201 1.00 0.00 C ATOM 746 CD GLU A 50 -15.407 2.576 -7.049 1.00 0.00 C ATOM 747 OE1 GLU A 50 -16.105 1.546 -6.943 1.00 0.00 O ATOM 748 OE2 GLU A 50 -15.690 3.519 -7.817 1.00 0.00 O ATOM 0 H GLU A 50 -14.968 2.363 -2.243 1.00 0.00 H new ATOM 0 HA GLU A 50 -13.626 0.865 -4.381 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -15.534 2.719 -4.567 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -14.192 3.832 -4.394 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -13.573 3.549 -6.530 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -13.533 1.806 -6.359 1.00 0.00 H new ATOM 755 N SER A 51 -12.233 3.356 -2.703 1.00 0.00 N ATOM 756 CA SER A 51 -10.942 3.941 -2.328 1.00 0.00 C ATOM 757 C SER A 51 -9.887 2.857 -2.094 1.00 0.00 C ATOM 758 O SER A 51 -8.728 3.001 -2.488 1.00 0.00 O ATOM 759 CB SER A 51 -11.105 4.794 -1.072 1.00 0.00 C ATOM 760 OG SER A 51 -12.098 4.257 -0.216 1.00 0.00 O ATOM 0 H SER A 51 -13.040 3.814 -2.280 1.00 0.00 H new ATOM 0 HA SER A 51 -10.601 4.569 -3.151 1.00 0.00 H new ATOM 0 HB2 SER A 51 -10.155 4.850 -0.541 1.00 0.00 H new ATOM 0 HB3 SER A 51 -11.374 5.812 -1.353 1.00 0.00 H new ATOM 0 HG SER A 51 -12.881 4.846 -0.214 1.00 0.00 H new ATOM 766 N GLU A 52 -10.303 1.771 -1.456 1.00 0.00 N ATOM 767 CA GLU A 52 -9.405 0.653 -1.171 1.00 0.00 C ATOM 768 C GLU A 52 -8.887 0.008 -2.458 1.00 0.00 C ATOM 769 O GLU A 52 -7.692 0.068 -2.760 1.00 0.00 O ATOM 770 CB GLU A 52 -10.121 -0.393 -0.323 1.00 0.00 C ATOM 771 CG GLU A 52 -11.618 -0.472 -0.573 1.00 0.00 C ATOM 772 CD GLU A 52 -12.107 -1.893 -0.647 1.00 0.00 C ATOM 773 OE1 GLU A 52 -12.119 -2.561 0.402 1.00 0.00 O ATOM 774 OE2 GLU A 52 -12.466 -2.344 -1.755 1.00 0.00 O ATOM 0 H GLU A 52 -11.258 1.638 -1.124 1.00 0.00 H new ATOM 0 HA GLU A 52 -8.550 1.046 -0.620 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -9.678 -1.370 -0.519 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -9.950 -0.171 0.730 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -12.146 0.051 0.224 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -11.857 0.042 -1.504 1.00 0.00 H new ATOM 781 N LYS A 53 -9.791 -0.610 -3.217 1.00 0.00 N ATOM 782 CA LYS A 53 -9.415 -1.265 -4.476 1.00 0.00 C ATOM 783 C LYS A 53 -8.511 -0.360 -5.312 1.00 0.00 C ATOM 784 O LYS A 53 -7.397 -0.748 -5.679 1.00 0.00 O ATOM 785 CB LYS A 53 -10.652 -1.661 -5.292 1.00 0.00 C ATOM 786 CG LYS A 53 -11.786 -0.648 -5.227 1.00 0.00 C ATOM 787 CD LYS A 53 -12.674 -0.644 -6.474 1.00 0.00 C ATOM 788 CE LYS A 53 -12.385 -1.801 -7.425 1.00 0.00 C ATOM 789 NZ LYS A 53 -13.478 -1.992 -8.419 1.00 0.00 N ATOM 0 H LYS A 53 -10.783 -0.673 -2.987 1.00 0.00 H new ATOM 0 HA LYS A 53 -8.868 -2.172 -4.219 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -10.360 -1.797 -6.333 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -11.017 -2.624 -4.935 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -12.402 -0.860 -4.353 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -11.365 0.348 -5.087 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -13.719 -0.687 -6.167 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -12.537 0.297 -7.006 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -11.447 -1.615 -7.948 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -12.253 -2.718 -6.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -13.366 -2.915 -8.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -14.398 -1.959 -7.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -13.435 -1.236 -9.132 1.00 0.00 H new ATOM 803 N VAL A 54 -8.979 0.855 -5.601 1.00 0.00 N ATOM 804 CA VAL A 54 -8.190 1.793 -6.373 1.00 0.00 C ATOM 805 C VAL A 54 -6.825 1.972 -5.725 1.00 0.00 C ATOM 806 O VAL A 54 -5.805 2.031 -6.410 1.00 0.00 O ATOM 807 CB VAL A 54 -8.883 3.162 -6.511 1.00 0.00 C ATOM 808 CG1 VAL A 54 -9.818 3.172 -7.710 1.00 0.00 C ATOM 809 CG2 VAL A 54 -9.629 3.541 -5.242 1.00 0.00 C ATOM 0 H VAL A 54 -9.893 1.203 -5.311 1.00 0.00 H new ATOM 0 HA VAL A 54 -8.078 1.379 -7.375 1.00 0.00 H new ATOM 0 HB VAL A 54 -8.107 3.910 -6.672 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -10.297 4.148 -7.789 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -9.248 2.973 -8.617 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -10.580 2.403 -7.584 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -10.105 4.512 -5.376 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -10.390 2.790 -5.029 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -8.928 3.593 -4.409 1.00 0.00 H new ATOM 819 N PHE A 55 -6.810 2.026 -4.392 1.00 0.00 N ATOM 820 CA PHE A 55 -5.560 2.161 -3.654 1.00 0.00 C ATOM 821 C PHE A 55 -4.582 1.079 -4.096 1.00 0.00 C ATOM 822 O PHE A 55 -3.427 1.361 -4.417 1.00 0.00 O ATOM 823 CB PHE A 55 -5.804 2.052 -2.146 1.00 0.00 C ATOM 824 CG PHE A 55 -4.671 2.563 -1.295 1.00 0.00 C ATOM 825 CD1 PHE A 55 -3.675 3.368 -1.832 1.00 0.00 C ATOM 826 CD2 PHE A 55 -4.610 2.242 0.052 1.00 0.00 C ATOM 827 CE1 PHE A 55 -2.645 3.840 -1.043 1.00 0.00 C ATOM 828 CE2 PHE A 55 -3.580 2.711 0.845 1.00 0.00 C ATOM 829 CZ PHE A 55 -2.599 3.512 0.297 1.00 0.00 C ATOM 0 H PHE A 55 -7.645 1.978 -3.808 1.00 0.00 H new ATOM 0 HA PHE A 55 -5.138 3.144 -3.866 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -6.709 2.605 -1.896 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -5.989 1.008 -1.895 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -3.706 3.628 -2.880 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -5.377 1.618 0.487 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -1.877 4.465 -1.474 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -3.543 2.451 1.893 1.00 0.00 H new ATOM 0 HZ PHE A 55 -1.795 3.882 0.916 1.00 0.00 H new ATOM 839 N ALA A 56 -5.065 -0.162 -4.126 1.00 0.00 N ATOM 840 CA ALA A 56 -4.239 -1.287 -4.549 1.00 0.00 C ATOM 841 C ALA A 56 -3.737 -1.069 -5.967 1.00 0.00 C ATOM 842 O ALA A 56 -2.571 -1.319 -6.272 1.00 0.00 O ATOM 843 CB ALA A 56 -5.016 -2.595 -4.457 1.00 0.00 C ATOM 0 H ALA A 56 -6.019 -0.411 -3.864 1.00 0.00 H new ATOM 0 HA ALA A 56 -3.381 -1.352 -3.879 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -4.379 -3.420 -4.778 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -5.331 -2.759 -3.427 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -5.894 -2.543 -5.101 1.00 0.00 H new ATOM 849 N GLN A 57 -4.627 -0.593 -6.830 1.00 0.00 N ATOM 850 CA GLN A 57 -4.272 -0.332 -8.218 1.00 0.00 C ATOM 851 C GLN A 57 -3.125 0.674 -8.305 1.00 0.00 C ATOM 852 O GLN A 57 -2.193 0.500 -9.092 1.00 0.00 O ATOM 853 CB GLN A 57 -5.486 0.194 -8.986 1.00 0.00 C ATOM 854 CG GLN A 57 -6.458 -0.896 -9.406 1.00 0.00 C ATOM 855 CD GLN A 57 -5.861 -1.848 -10.423 1.00 0.00 C ATOM 856 OE1 GLN A 57 -5.868 -1.576 -11.624 1.00 0.00 O ATOM 857 NE2 GLN A 57 -5.341 -2.973 -9.947 1.00 0.00 N ATOM 0 H GLN A 57 -5.596 -0.381 -6.593 1.00 0.00 H new ATOM 0 HA GLN A 57 -3.945 -1.270 -8.667 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -6.012 0.919 -8.365 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -5.142 0.725 -9.874 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -6.770 -1.459 -8.526 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -7.354 -0.437 -9.825 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -5.357 -3.158 -8.944 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -4.926 -3.653 -10.584 1.00 0.00 H new ATOM 866 N THR A 58 -3.200 1.725 -7.491 1.00 0.00 N ATOM 867 CA THR A 58 -2.170 2.759 -7.480 1.00 0.00 C ATOM 868 C THR A 58 -0.832 2.198 -7.012 1.00 0.00 C ATOM 869 O THR A 58 0.155 2.239 -7.745 1.00 0.00 O ATOM 870 CB THR A 58 -2.588 3.926 -6.579 1.00 0.00 C ATOM 871 OG1 THR A 58 -2.539 3.549 -5.215 1.00 0.00 O ATOM 872 CG2 THR A 58 -3.984 4.436 -6.865 1.00 0.00 C ATOM 0 H THR A 58 -3.962 1.882 -6.832 1.00 0.00 H new ATOM 0 HA THR A 58 -2.054 3.121 -8.501 1.00 0.00 H new ATOM 0 HB THR A 58 -1.878 4.724 -6.794 1.00 0.00 H new ATOM 0 HG1 THR A 58 -3.227 2.874 -5.037 1.00 0.00 H new ATOM 0 HG21 THR A 58 -4.215 5.261 -6.192 1.00 0.00 H new ATOM 0 HG22 THR A 58 -4.040 4.783 -7.897 1.00 0.00 H new ATOM 0 HG23 THR A 58 -4.704 3.631 -6.713 1.00 0.00 H new ATOM 880 N VAL A 59 -0.802 1.682 -5.787 1.00 0.00 N ATOM 881 CA VAL A 59 0.424 1.126 -5.229 1.00 0.00 C ATOM 882 C VAL A 59 0.938 -0.044 -6.062 1.00 0.00 C ATOM 883 O VAL A 59 2.124 -0.106 -6.383 1.00 0.00 O ATOM 884 CB VAL A 59 0.234 0.664 -3.769 1.00 0.00 C ATOM 885 CG1 VAL A 59 -0.834 -0.412 -3.669 1.00 0.00 C ATOM 886 CG2 VAL A 59 1.548 0.161 -3.195 1.00 0.00 C ATOM 0 H VAL A 59 -1.609 1.638 -5.165 1.00 0.00 H new ATOM 0 HA VAL A 59 1.160 1.930 -5.249 1.00 0.00 H new ATOM 0 HB VAL A 59 -0.097 1.523 -3.185 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -0.946 -0.718 -2.629 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -1.782 -0.019 -4.036 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -0.541 -1.272 -4.271 1.00 0.00 H new ATOM 0 HG21 VAL A 59 1.396 -0.161 -2.165 1.00 0.00 H new ATOM 0 HG22 VAL A 59 1.906 -0.680 -3.789 1.00 0.00 H new ATOM 0 HG23 VAL A 59 2.286 0.963 -3.219 1.00 0.00 H new ATOM 896 N LEU A 60 0.049 -0.972 -6.406 1.00 0.00 N ATOM 897 CA LEU A 60 0.437 -2.137 -7.194 1.00 0.00 C ATOM 898 C LEU A 60 1.045 -1.727 -8.532 1.00 0.00 C ATOM 899 O LEU A 60 2.045 -2.298 -8.969 1.00 0.00 O ATOM 900 CB LEU A 60 -0.763 -3.053 -7.436 1.00 0.00 C ATOM 901 CG LEU A 60 -0.452 -4.297 -8.271 1.00 0.00 C ATOM 902 CD1 LEU A 60 -0.036 -5.451 -7.375 1.00 0.00 C ATOM 903 CD2 LEU A 60 -1.649 -4.686 -9.123 1.00 0.00 C ATOM 0 H LEU A 60 -0.939 -0.940 -6.153 1.00 0.00 H new ATOM 0 HA LEU A 60 1.191 -2.678 -6.622 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -1.164 -3.368 -6.473 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -1.546 -2.482 -7.935 1.00 0.00 H new ATOM 0 HG LEU A 60 0.378 -4.062 -8.937 1.00 0.00 H new ATOM 0 HD11 LEU A 60 0.181 -6.327 -7.987 1.00 0.00 H new ATOM 0 HD12 LEU A 60 0.855 -5.172 -6.812 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -0.845 -5.684 -6.682 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -1.406 -5.573 -9.709 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -2.501 -4.900 -8.478 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -1.900 -3.865 -9.795 1.00 0.00 H new ATOM 915 N SER A 61 0.435 -0.748 -9.186 1.00 0.00 N ATOM 916 CA SER A 61 0.927 -0.284 -10.476 1.00 0.00 C ATOM 917 C SER A 61 2.177 0.571 -10.316 1.00 0.00 C ATOM 918 O SER A 61 3.075 0.531 -11.158 1.00 0.00 O ATOM 919 CB SER A 61 -0.156 0.501 -11.208 1.00 0.00 C ATOM 920 OG SER A 61 0.391 1.260 -12.273 1.00 0.00 O ATOM 0 H SER A 61 -0.396 -0.262 -8.848 1.00 0.00 H new ATOM 0 HA SER A 61 1.190 -1.161 -11.067 1.00 0.00 H new ATOM 0 HB2 SER A 61 -0.907 -0.187 -11.597 1.00 0.00 H new ATOM 0 HB3 SER A 61 -0.663 1.165 -10.508 1.00 0.00 H new ATOM 0 HG SER A 61 -0.325 1.752 -12.726 1.00 0.00 H new ATOM 926 N HIS A 62 2.243 1.339 -9.232 1.00 0.00 N ATOM 927 CA HIS A 62 3.398 2.183 -8.983 1.00 0.00 C ATOM 928 C HIS A 62 4.611 1.330 -8.632 1.00 0.00 C ATOM 929 O HIS A 62 5.752 1.744 -8.838 1.00 0.00 O ATOM 930 CB HIS A 62 3.106 3.183 -7.863 1.00 0.00 C ATOM 931 CG HIS A 62 2.964 4.589 -8.355 1.00 0.00 C ATOM 932 ND1 HIS A 62 2.401 4.903 -9.573 1.00 0.00 N ATOM 933 CD2 HIS A 62 3.326 5.767 -7.795 1.00 0.00 C ATOM 934 CE1 HIS A 62 2.427 6.212 -9.743 1.00 0.00 C ATOM 935 NE2 HIS A 62 2.982 6.761 -8.678 1.00 0.00 N ATOM 0 H HIS A 62 1.515 1.392 -8.520 1.00 0.00 H new ATOM 0 HA HIS A 62 3.617 2.743 -9.892 1.00 0.00 H new ATOM 0 HB2 HIS A 62 2.190 2.889 -7.351 1.00 0.00 H new ATOM 0 HB3 HIS A 62 3.909 3.141 -7.128 1.00 0.00 H new ATOM 0 HD1 HIS A 62 2.023 4.229 -10.239 1.00 0.00 H new ATOM 0 HD2 HIS A 62 3.798 5.900 -6.833 1.00 0.00 H new ATOM 0 HE1 HIS A 62 2.057 6.744 -10.607 1.00 0.00 H new ATOM 944 N VAL A 63 4.358 0.132 -8.109 1.00 0.00 N ATOM 945 CA VAL A 63 5.438 -0.774 -7.746 1.00 0.00 C ATOM 946 C VAL A 63 5.780 -1.708 -8.894 1.00 0.00 C ATOM 947 O VAL A 63 6.930 -1.760 -9.331 1.00 0.00 O ATOM 948 CB VAL A 63 5.109 -1.604 -6.485 1.00 0.00 C ATOM 949 CG1 VAL A 63 4.975 -0.691 -5.289 1.00 0.00 C ATOM 950 CG2 VAL A 63 3.849 -2.439 -6.658 1.00 0.00 C ATOM 0 H VAL A 63 3.421 -0.229 -7.929 1.00 0.00 H new ATOM 0 HA VAL A 63 6.301 -0.147 -7.522 1.00 0.00 H new ATOM 0 HB VAL A 63 5.934 -2.298 -6.323 1.00 0.00 H new ATOM 0 HG11 VAL A 63 4.743 -1.283 -4.404 1.00 0.00 H new ATOM 0 HG12 VAL A 63 5.912 -0.156 -5.133 1.00 0.00 H new ATOM 0 HG13 VAL A 63 4.173 0.026 -5.466 1.00 0.00 H new ATOM 0 HG21 VAL A 63 3.659 -3.004 -5.746 1.00 0.00 H new ATOM 0 HG22 VAL A 63 3.003 -1.783 -6.861 1.00 0.00 H new ATOM 0 HG23 VAL A 63 3.981 -3.129 -7.492 1.00 0.00 H new ATOM 960 N ALA A 64 4.774 -2.434 -9.386 1.00 0.00 N ATOM 961 CA ALA A 64 4.949 -3.371 -10.492 1.00 0.00 C ATOM 962 C ALA A 64 6.362 -3.966 -10.523 1.00 0.00 C ATOM 963 O ALA A 64 6.918 -4.171 -11.601 1.00 0.00 O ATOM 964 CB ALA A 64 4.648 -2.673 -11.810 1.00 0.00 C ATOM 0 H ALA A 64 3.820 -2.388 -9.029 1.00 0.00 H new ATOM 0 HA ALA A 64 4.251 -4.195 -10.343 1.00 0.00 H new ATOM 0 HB1 ALA A 64 4.780 -3.376 -12.632 1.00 0.00 H new ATOM 0 HB2 ALA A 64 3.620 -2.311 -11.803 1.00 0.00 H new ATOM 0 HB3 ALA A 64 5.328 -1.831 -11.940 1.00 0.00 H new ATOM 970 N ASN A 65 6.946 -4.227 -9.339 1.00 0.00 N ATOM 971 CA ASN A 65 8.308 -4.779 -9.253 1.00 0.00 C ATOM 972 C ASN A 65 8.944 -4.547 -7.874 1.00 0.00 C ATOM 973 O ASN A 65 8.918 -5.427 -7.014 1.00 0.00 O ATOM 974 CB ASN A 65 9.202 -4.144 -10.322 1.00 0.00 C ATOM 975 CG ASN A 65 9.416 -5.052 -11.519 1.00 0.00 C ATOM 976 OD1 ASN A 65 9.707 -6.238 -11.368 1.00 0.00 O ATOM 977 ND2 ASN A 65 9.273 -4.496 -12.716 1.00 0.00 N ATOM 0 H ASN A 65 6.499 -4.066 -8.436 1.00 0.00 H new ATOM 0 HA ASN A 65 8.225 -5.854 -9.414 1.00 0.00 H new ATOM 0 HB2 ASN A 65 8.754 -3.208 -10.656 1.00 0.00 H new ATOM 0 HB3 ASN A 65 10.168 -3.896 -9.882 1.00 0.00 H new ATOM 0 HD21 ASN A 65 9.405 -5.057 -13.558 1.00 0.00 H new ATOM 0 HD22 ASN A 65 9.031 -3.508 -12.794 1.00 0.00 H new ATOM 984 N VAL A 66 9.539 -3.359 -7.691 1.00 0.00 N ATOM 985 CA VAL A 66 10.214 -2.991 -6.442 1.00 0.00 C ATOM 986 C VAL A 66 11.214 -4.064 -6.005 1.00 0.00 C ATOM 987 O VAL A 66 11.651 -4.874 -6.823 1.00 0.00 O ATOM 988 CB VAL A 66 9.209 -2.694 -5.314 1.00 0.00 C ATOM 989 CG1 VAL A 66 8.264 -1.587 -5.742 1.00 0.00 C ATOM 990 CG2 VAL A 66 8.441 -3.943 -4.917 1.00 0.00 C ATOM 0 H VAL A 66 9.565 -2.630 -8.404 1.00 0.00 H new ATOM 0 HA VAL A 66 10.769 -2.075 -6.643 1.00 0.00 H new ATOM 0 HB VAL A 66 9.763 -2.361 -4.436 1.00 0.00 H new ATOM 0 HG11 VAL A 66 7.556 -1.382 -4.939 1.00 0.00 H new ATOM 0 HG12 VAL A 66 8.836 -0.685 -5.960 1.00 0.00 H new ATOM 0 HG13 VAL A 66 7.721 -1.897 -6.635 1.00 0.00 H new ATOM 0 HG21 VAL A 66 7.740 -3.700 -4.119 1.00 0.00 H new ATOM 0 HG22 VAL A 66 7.892 -4.322 -5.779 1.00 0.00 H new ATOM 0 HG23 VAL A 66 9.139 -4.704 -4.568 1.00 0.00 H new ATOM 1000 N VAL A 67 11.595 -4.062 -4.725 1.00 0.00 N ATOM 1001 CA VAL A 67 12.569 -5.044 -4.231 1.00 0.00 C ATOM 1002 C VAL A 67 12.325 -5.447 -2.778 1.00 0.00 C ATOM 1003 O VAL A 67 12.852 -6.458 -2.313 1.00 0.00 O ATOM 1004 CB VAL A 67 14.017 -4.532 -4.380 1.00 0.00 C ATOM 1005 CG1 VAL A 67 14.329 -3.461 -3.344 1.00 0.00 C ATOM 1006 CG2 VAL A 67 14.999 -5.687 -4.270 1.00 0.00 C ATOM 0 H VAL A 67 11.253 -3.406 -4.022 1.00 0.00 H new ATOM 0 HA VAL A 67 12.430 -5.928 -4.853 1.00 0.00 H new ATOM 0 HB VAL A 67 14.119 -4.081 -5.367 1.00 0.00 H new ATOM 0 HG11 VAL A 67 15.356 -3.119 -3.473 1.00 0.00 H new ATOM 0 HG12 VAL A 67 13.647 -2.620 -3.473 1.00 0.00 H new ATOM 0 HG13 VAL A 67 14.208 -3.876 -2.344 1.00 0.00 H new ATOM 0 HG21 VAL A 67 16.016 -5.311 -4.377 1.00 0.00 H new ATOM 0 HG22 VAL A 67 14.890 -6.166 -3.297 1.00 0.00 H new ATOM 0 HG23 VAL A 67 14.796 -6.413 -5.057 1.00 0.00 H new ATOM 1016 N LEU A 68 11.517 -4.662 -2.079 1.00 0.00 N ATOM 1017 CA LEU A 68 11.161 -4.923 -0.683 1.00 0.00 C ATOM 1018 C LEU A 68 12.249 -5.659 0.093 1.00 0.00 C ATOM 1019 O LEU A 68 12.310 -6.885 0.079 1.00 0.00 O ATOM 1020 CB LEU A 68 9.862 -5.731 -0.644 1.00 0.00 C ATOM 1021 CG LEU A 68 8.780 -5.243 -1.612 1.00 0.00 C ATOM 1022 CD1 LEU A 68 8.361 -6.353 -2.560 1.00 0.00 C ATOM 1023 CD2 LEU A 68 7.577 -4.707 -0.852 1.00 0.00 C ATOM 0 H LEU A 68 11.086 -3.821 -2.462 1.00 0.00 H new ATOM 0 HA LEU A 68 11.036 -3.956 -0.196 1.00 0.00 H new ATOM 0 HB2 LEU A 68 10.090 -6.773 -0.870 1.00 0.00 H new ATOM 0 HB3 LEU A 68 9.463 -5.705 0.370 1.00 0.00 H new ATOM 0 HG LEU A 68 9.201 -4.430 -2.204 1.00 0.00 H new ATOM 0 HD11 LEU A 68 7.592 -5.982 -3.237 1.00 0.00 H new ATOM 0 HD12 LEU A 68 9.224 -6.684 -3.137 1.00 0.00 H new ATOM 0 HD13 LEU A 68 7.966 -7.191 -1.986 1.00 0.00 H new ATOM 0 HD21 LEU A 68 6.822 -4.366 -1.560 1.00 0.00 H new ATOM 0 HD22 LEU A 68 7.159 -5.497 -0.228 1.00 0.00 H new ATOM 0 HD23 LEU A 68 7.887 -3.873 -0.222 1.00 0.00 H new ATOM 1035 N THR A 69 13.087 -4.904 0.795 1.00 0.00 N ATOM 1036 CA THR A 69 14.145 -5.499 1.597 1.00 0.00 C ATOM 1037 C THR A 69 13.534 -6.370 2.695 1.00 0.00 C ATOM 1038 O THR A 69 12.367 -6.753 2.608 1.00 0.00 O ATOM 1039 CB THR A 69 15.032 -4.406 2.202 1.00 0.00 C ATOM 1040 OG1 THR A 69 14.286 -3.561 3.062 1.00 0.00 O ATOM 1041 CG2 THR A 69 15.687 -3.526 1.159 1.00 0.00 C ATOM 0 H THR A 69 13.053 -3.885 0.824 1.00 0.00 H new ATOM 0 HA THR A 69 14.767 -6.127 0.959 1.00 0.00 H new ATOM 0 HB THR A 69 15.807 -4.941 2.752 1.00 0.00 H new ATOM 0 HG1 THR A 69 14.870 -3.216 3.769 1.00 0.00 H new ATOM 0 HG21 THR A 69 16.301 -2.773 1.652 1.00 0.00 H new ATOM 0 HG22 THR A 69 16.314 -4.137 0.509 1.00 0.00 H new ATOM 0 HG23 THR A 69 14.918 -3.034 0.563 1.00 0.00 H new ATOM 1049 N GLN A 70 14.310 -6.677 3.728 1.00 0.00 N ATOM 1050 CA GLN A 70 13.808 -7.501 4.828 1.00 0.00 C ATOM 1051 C GLN A 70 12.610 -6.828 5.493 1.00 0.00 C ATOM 1052 O GLN A 70 11.661 -7.494 5.919 1.00 0.00 O ATOM 1053 CB GLN A 70 14.894 -7.769 5.889 1.00 0.00 C ATOM 1054 CG GLN A 70 16.321 -7.495 5.434 1.00 0.00 C ATOM 1055 CD GLN A 70 16.738 -6.055 5.667 1.00 0.00 C ATOM 1056 OE1 GLN A 70 17.186 -5.390 4.608 1.00 0.00 O flip ATOM 1057 NE2 GLN A 70 16.660 -5.547 6.785 1.00 0.00 N flip ATOM 0 H GLN A 70 15.278 -6.373 3.830 1.00 0.00 H new ATOM 0 HA GLN A 70 13.506 -8.457 4.400 1.00 0.00 H new ATOM 0 HB2 GLN A 70 14.684 -7.155 6.765 1.00 0.00 H new ATOM 0 HB3 GLN A 70 14.823 -8.810 6.205 1.00 0.00 H new ATOM 0 HG2 GLN A 70 17.003 -8.158 5.967 1.00 0.00 H new ATOM 0 HG3 GLN A 70 16.412 -7.729 4.373 1.00 0.00 H new ATOM 0 HE21 GLN A 70 16.310 -6.095 7.571 1.00 0.00 H new ATOM 0 HE22 GLN A 70 16.946 -4.578 6.926 1.00 0.00 H new ATOM 1066 N GLU A 71 12.666 -5.502 5.580 1.00 0.00 N ATOM 1067 CA GLU A 71 11.599 -4.727 6.198 1.00 0.00 C ATOM 1068 C GLU A 71 10.291 -4.884 5.436 1.00 0.00 C ATOM 1069 O GLU A 71 9.324 -5.433 5.959 1.00 0.00 O ATOM 1070 CB GLU A 71 11.988 -3.250 6.265 1.00 0.00 C ATOM 1071 CG GLU A 71 11.311 -2.492 7.395 1.00 0.00 C ATOM 1072 CD GLU A 71 12.004 -1.183 7.716 1.00 0.00 C ATOM 1073 OE1 GLU A 71 13.245 -1.188 7.859 1.00 0.00 O ATOM 1074 OE2 GLU A 71 11.307 -0.153 7.824 1.00 0.00 O ATOM 0 H GLU A 71 13.443 -4.942 5.228 1.00 0.00 H new ATOM 0 HA GLU A 71 11.453 -5.107 7.209 1.00 0.00 H new ATOM 0 HB2 GLU A 71 13.069 -3.173 6.384 1.00 0.00 H new ATOM 0 HB3 GLU A 71 11.736 -2.774 5.317 1.00 0.00 H new ATOM 0 HG2 GLU A 71 10.274 -2.293 7.124 1.00 0.00 H new ATOM 0 HG3 GLU A 71 11.293 -3.118 8.287 1.00 0.00 H new ATOM 1081 N ASP A 72 10.268 -4.398 4.197 1.00 0.00 N ATOM 1082 CA ASP A 72 9.072 -4.484 3.367 1.00 0.00 C ATOM 1083 C ASP A 72 8.565 -5.921 3.287 1.00 0.00 C ATOM 1084 O ASP A 72 7.361 -6.166 3.286 1.00 0.00 O ATOM 1085 CB ASP A 72 9.350 -3.944 1.972 1.00 0.00 C ATOM 1086 CG ASP A 72 9.663 -2.462 1.978 1.00 0.00 C ATOM 1087 OD1 ASP A 72 10.367 -2.008 2.905 1.00 0.00 O ATOM 1088 OD2 ASP A 72 9.204 -1.755 1.058 1.00 0.00 O ATOM 0 H ASP A 72 11.062 -3.942 3.748 1.00 0.00 H new ATOM 0 HA ASP A 72 8.297 -3.874 3.830 1.00 0.00 H new ATOM 0 HB2 ASP A 72 10.188 -4.488 1.535 1.00 0.00 H new ATOM 0 HB3 ASP A 72 8.484 -4.127 1.335 1.00 0.00 H new ATOM 1093 N THR A 73 9.488 -6.877 3.241 1.00 0.00 N ATOM 1094 CA THR A 73 9.106 -8.284 3.193 1.00 0.00 C ATOM 1095 C THR A 73 8.238 -8.606 4.404 1.00 0.00 C ATOM 1096 O THR A 73 7.039 -8.884 4.274 1.00 0.00 O ATOM 1097 CB THR A 73 10.346 -9.176 3.176 1.00 0.00 C ATOM 1098 OG1 THR A 73 11.182 -8.854 2.080 1.00 0.00 O ATOM 1099 CG2 THR A 73 10.015 -10.647 3.083 1.00 0.00 C ATOM 0 H THR A 73 10.494 -6.706 3.236 1.00 0.00 H new ATOM 0 HA THR A 73 8.542 -8.474 2.280 1.00 0.00 H new ATOM 0 HB THR A 73 10.852 -8.989 4.123 1.00 0.00 H new ATOM 0 HG1 THR A 73 11.990 -8.406 2.406 1.00 0.00 H new ATOM 0 HG21 THR A 73 10.937 -11.228 3.075 1.00 0.00 H new ATOM 0 HG22 THR A 73 9.410 -10.939 3.941 1.00 0.00 H new ATOM 0 HG23 THR A 73 9.459 -10.837 2.165 1.00 0.00 H new ATOM 1107 N ALA A 74 8.837 -8.515 5.593 1.00 0.00 N ATOM 1108 CA ALA A 74 8.097 -8.749 6.825 1.00 0.00 C ATOM 1109 C ALA A 74 6.907 -7.797 6.884 1.00 0.00 C ATOM 1110 O ALA A 74 5.886 -8.085 7.508 1.00 0.00 O ATOM 1111 CB ALA A 74 8.999 -8.558 8.036 1.00 0.00 C ATOM 0 H ALA A 74 9.822 -8.283 5.724 1.00 0.00 H new ATOM 0 HA ALA A 74 7.735 -9.777 6.838 1.00 0.00 H new ATOM 0 HB1 ALA A 74 8.428 -8.737 8.947 1.00 0.00 H new ATOM 0 HB2 ALA A 74 9.830 -9.261 7.985 1.00 0.00 H new ATOM 0 HB3 ALA A 74 9.385 -7.539 8.045 1.00 0.00 H new ATOM 1117 N LYS A 75 7.055 -6.666 6.196 1.00 0.00 N ATOM 1118 CA LYS A 75 6.014 -5.654 6.116 1.00 0.00 C ATOM 1119 C LYS A 75 4.749 -6.262 5.511 1.00 0.00 C ATOM 1120 O LYS A 75 3.664 -6.163 6.085 1.00 0.00 O ATOM 1121 CB LYS A 75 6.521 -4.491 5.259 1.00 0.00 C ATOM 1122 CG LYS A 75 5.877 -3.150 5.547 1.00 0.00 C ATOM 1123 CD LYS A 75 6.715 -2.320 6.504 1.00 0.00 C ATOM 1124 CE LYS A 75 7.775 -1.518 5.767 1.00 0.00 C ATOM 1125 NZ LYS A 75 7.840 -0.108 6.246 1.00 0.00 N ATOM 0 H LYS A 75 7.902 -6.429 5.680 1.00 0.00 H new ATOM 0 HA LYS A 75 5.771 -5.284 7.112 1.00 0.00 H new ATOM 0 HB2 LYS A 75 7.598 -4.397 5.402 1.00 0.00 H new ATOM 0 HB3 LYS A 75 6.359 -4.736 4.209 1.00 0.00 H new ATOM 0 HG2 LYS A 75 5.741 -2.603 4.614 1.00 0.00 H new ATOM 0 HG3 LYS A 75 4.886 -3.306 5.972 1.00 0.00 H new ATOM 0 HD2 LYS A 75 6.068 -1.643 7.062 1.00 0.00 H new ATOM 0 HD3 LYS A 75 7.194 -2.975 7.232 1.00 0.00 H new ATOM 0 HE2 LYS A 75 8.747 -1.992 5.901 1.00 0.00 H new ATOM 0 HE3 LYS A 75 7.560 -1.529 4.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 7.607 0.536 5.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 7.159 0.027 7.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 8.800 0.098 6.589 1.00 0.00 H new ATOM 1139 N LEU A 76 4.904 -6.919 4.358 1.00 0.00 N ATOM 1140 CA LEU A 76 3.776 -7.571 3.698 1.00 0.00 C ATOM 1141 C LEU A 76 3.254 -8.699 4.575 1.00 0.00 C ATOM 1142 O LEU A 76 2.054 -8.794 4.838 1.00 0.00 O ATOM 1143 CB LEU A 76 4.178 -8.132 2.331 1.00 0.00 C ATOM 1144 CG LEU A 76 4.370 -7.090 1.227 1.00 0.00 C ATOM 1145 CD1 LEU A 76 5.843 -6.947 0.872 1.00 0.00 C ATOM 1146 CD2 LEU A 76 3.559 -7.465 -0.005 1.00 0.00 C ATOM 0 H LEU A 76 5.794 -7.012 3.868 1.00 0.00 H new ATOM 0 HA LEU A 76 2.996 -6.825 3.545 1.00 0.00 H new ATOM 0 HB2 LEU A 76 5.106 -8.692 2.445 1.00 0.00 H new ATOM 0 HB3 LEU A 76 3.416 -8.842 2.009 1.00 0.00 H new ATOM 0 HG LEU A 76 4.013 -6.129 1.597 1.00 0.00 H new ATOM 0 HD11 LEU A 76 5.957 -6.201 0.085 1.00 0.00 H new ATOM 0 HD12 LEU A 76 6.401 -6.632 1.754 1.00 0.00 H new ATOM 0 HD13 LEU A 76 6.228 -7.905 0.522 1.00 0.00 H new ATOM 0 HD21 LEU A 76 3.707 -6.713 -0.781 1.00 0.00 H new ATOM 0 HD22 LEU A 76 3.887 -8.437 -0.374 1.00 0.00 H new ATOM 0 HD23 LEU A 76 2.502 -7.514 0.256 1.00 0.00 H new ATOM 1158 N LEU A 77 4.170 -9.552 5.036 1.00 0.00 N ATOM 1159 CA LEU A 77 3.793 -10.671 5.894 1.00 0.00 C ATOM 1160 C LEU A 77 3.068 -10.168 7.136 1.00 0.00 C ATOM 1161 O LEU A 77 2.175 -10.833 7.660 1.00 0.00 O ATOM 1162 CB LEU A 77 5.023 -11.486 6.309 1.00 0.00 C ATOM 1163 CG LEU A 77 6.112 -11.628 5.245 1.00 0.00 C ATOM 1164 CD1 LEU A 77 7.079 -12.740 5.620 1.00 0.00 C ATOM 1165 CD2 LEU A 77 5.501 -11.891 3.875 1.00 0.00 C ATOM 0 H LEU A 77 5.167 -9.489 4.831 1.00 0.00 H new ATOM 0 HA LEU A 77 3.125 -11.317 5.325 1.00 0.00 H new ATOM 0 HB2 LEU A 77 5.462 -11.023 7.193 1.00 0.00 H new ATOM 0 HB3 LEU A 77 4.694 -12.483 6.602 1.00 0.00 H new ATOM 0 HG LEU A 77 6.664 -10.690 5.195 1.00 0.00 H new ATOM 0 HD11 LEU A 77 7.848 -12.828 4.852 1.00 0.00 H new ATOM 0 HD12 LEU A 77 7.547 -12.508 6.577 1.00 0.00 H new ATOM 0 HD13 LEU A 77 6.537 -13.682 5.700 1.00 0.00 H new ATOM 0 HD21 LEU A 77 6.295 -11.988 3.135 1.00 0.00 H new ATOM 0 HD22 LEU A 77 4.920 -12.813 3.907 1.00 0.00 H new ATOM 0 HD23 LEU A 77 4.850 -11.061 3.601 1.00 0.00 H new ATOM 1177 N GLN A 78 3.457 -8.984 7.598 1.00 0.00 N ATOM 1178 CA GLN A 78 2.845 -8.384 8.775 1.00 0.00 C ATOM 1179 C GLN A 78 1.410 -7.965 8.481 1.00 0.00 C ATOM 1180 O GLN A 78 0.491 -8.286 9.236 1.00 0.00 O ATOM 1181 CB GLN A 78 3.658 -7.176 9.244 1.00 0.00 C ATOM 1182 CG GLN A 78 4.630 -7.499 10.366 1.00 0.00 C ATOM 1183 CD GLN A 78 4.373 -6.682 11.617 1.00 0.00 C ATOM 1184 OE1 GLN A 78 5.108 -5.743 11.923 1.00 0.00 O ATOM 1185 NE2 GLN A 78 3.323 -7.036 12.349 1.00 0.00 N ATOM 0 H GLN A 78 4.194 -8.421 7.174 1.00 0.00 H new ATOM 0 HA GLN A 78 2.834 -9.130 9.569 1.00 0.00 H new ATOM 0 HB2 GLN A 78 4.213 -6.771 8.398 1.00 0.00 H new ATOM 0 HB3 GLN A 78 2.975 -6.396 9.579 1.00 0.00 H new ATOM 0 HG2 GLN A 78 4.559 -8.559 10.609 1.00 0.00 H new ATOM 0 HG3 GLN A 78 5.648 -7.318 10.022 1.00 0.00 H new ATOM 0 HE21 GLN A 78 2.740 -7.821 12.059 1.00 0.00 H new ATOM 0 HE22 GLN A 78 3.099 -6.523 13.202 1.00 0.00 H new ATOM 1194 N SER A 79 1.225 -7.254 7.376 1.00 0.00 N ATOM 1195 CA SER A 79 -0.100 -6.798 6.980 1.00 0.00 C ATOM 1196 C SER A 79 -1.023 -7.986 6.742 1.00 0.00 C ATOM 1197 O SER A 79 -2.230 -7.900 6.956 1.00 0.00 O ATOM 1198 CB SER A 79 -0.015 -5.937 5.717 1.00 0.00 C ATOM 1199 OG SER A 79 1.228 -6.116 5.059 1.00 0.00 O ATOM 0 H SER A 79 1.974 -6.981 6.740 1.00 0.00 H new ATOM 0 HA SER A 79 -0.510 -6.193 7.789 1.00 0.00 H new ATOM 0 HB2 SER A 79 -0.829 -6.197 5.040 1.00 0.00 H new ATOM 0 HB3 SER A 79 -0.143 -4.887 5.980 1.00 0.00 H new ATOM 0 HG SER A 79 1.111 -6.721 4.297 1.00 0.00 H new ATOM 1205 N THR A 80 -0.444 -9.097 6.299 1.00 0.00 N ATOM 1206 CA THR A 80 -1.214 -10.306 6.032 1.00 0.00 C ATOM 1207 C THR A 80 -1.482 -11.085 7.317 1.00 0.00 C ATOM 1208 O THR A 80 -2.633 -11.294 7.699 1.00 0.00 O ATOM 1209 CB THR A 80 -0.470 -11.195 5.037 1.00 0.00 C ATOM 1210 OG1 THR A 80 0.926 -10.974 5.112 1.00 0.00 O ATOM 1211 CG2 THR A 80 -0.895 -10.971 3.604 1.00 0.00 C ATOM 0 H THR A 80 0.556 -9.185 6.117 1.00 0.00 H new ATOM 0 HA THR A 80 -2.171 -10.006 5.606 1.00 0.00 H new ATOM 0 HB THR A 80 -0.722 -12.218 5.318 1.00 0.00 H new ATOM 0 HG1 THR A 80 1.172 -10.231 4.523 1.00 0.00 H new ATOM 0 HG21 THR A 80 -0.329 -11.633 2.949 1.00 0.00 H new ATOM 0 HG22 THR A 80 -1.959 -11.183 3.503 1.00 0.00 H new ATOM 0 HG23 THR A 80 -0.704 -9.935 3.326 1.00 0.00 H new ATOM 1219 N VAL A 81 -0.410 -11.521 7.972 1.00 0.00 N ATOM 1220 CA VAL A 81 -0.522 -12.289 9.207 1.00 0.00 C ATOM 1221 C VAL A 81 -1.411 -11.587 10.232 1.00 0.00 C ATOM 1222 O VAL A 81 -2.109 -12.239 11.008 1.00 0.00 O ATOM 1223 CB VAL A 81 0.863 -12.549 9.835 1.00 0.00 C ATOM 1224 CG1 VAL A 81 1.512 -11.245 10.274 1.00 0.00 C ATOM 1225 CG2 VAL A 81 0.746 -13.515 11.004 1.00 0.00 C ATOM 0 H VAL A 81 0.549 -11.355 7.667 1.00 0.00 H new ATOM 0 HA VAL A 81 -0.979 -13.241 8.938 1.00 0.00 H new ATOM 0 HB VAL A 81 1.501 -13.004 9.078 1.00 0.00 H new ATOM 0 HG11 VAL A 81 2.487 -11.454 10.714 1.00 0.00 H new ATOM 0 HG12 VAL A 81 1.636 -10.591 9.411 1.00 0.00 H new ATOM 0 HG13 VAL A 81 0.879 -10.754 11.013 1.00 0.00 H new ATOM 0 HG21 VAL A 81 1.733 -13.687 11.434 1.00 0.00 H new ATOM 0 HG22 VAL A 81 0.088 -13.091 11.762 1.00 0.00 H new ATOM 0 HG23 VAL A 81 0.333 -14.461 10.654 1.00 0.00 H new ATOM 1235 N LYS A 82 -1.379 -10.258 10.234 1.00 0.00 N ATOM 1236 CA LYS A 82 -2.181 -9.479 11.172 1.00 0.00 C ATOM 1237 C LYS A 82 -3.559 -9.146 10.597 1.00 0.00 C ATOM 1238 O LYS A 82 -4.330 -8.410 11.212 1.00 0.00 O ATOM 1239 CB LYS A 82 -1.447 -8.191 11.550 1.00 0.00 C ATOM 1240 CG LYS A 82 -1.502 -7.873 13.035 1.00 0.00 C ATOM 1241 CD LYS A 82 -0.712 -8.884 13.850 1.00 0.00 C ATOM 1242 CE LYS A 82 -1.074 -8.816 15.325 1.00 0.00 C ATOM 1243 NZ LYS A 82 -0.051 -8.077 16.114 1.00 0.00 N ATOM 0 H LYS A 82 -0.809 -9.699 9.599 1.00 0.00 H new ATOM 0 HA LYS A 82 -2.330 -10.087 12.064 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -0.404 -8.273 11.243 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -1.879 -7.360 10.993 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -1.104 -6.873 13.209 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -2.540 -7.866 13.369 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -0.906 -9.888 13.473 1.00 0.00 H new ATOM 0 HD3 LYS A 82 0.355 -8.698 13.727 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -2.042 -8.329 15.439 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -1.177 -9.826 15.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -0.335 -8.053 17.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 0.868 -8.556 16.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 0.030 -7.105 15.754 1.00 0.00 H new ATOM 1257 N HIS A 83 -3.867 -9.688 9.421 1.00 0.00 N ATOM 1258 CA HIS A 83 -5.157 -9.437 8.784 1.00 0.00 C ATOM 1259 C HIS A 83 -5.905 -10.742 8.532 1.00 0.00 C ATOM 1260 O HIS A 83 -5.435 -11.820 8.896 1.00 0.00 O ATOM 1261 CB HIS A 83 -4.965 -8.683 7.467 1.00 0.00 C ATOM 1262 CG HIS A 83 -4.775 -7.208 7.644 1.00 0.00 C ATOM 1263 ND1 HIS A 83 -3.861 -6.666 8.524 1.00 0.00 N ATOM 1264 CD2 HIS A 83 -5.386 -6.158 7.046 1.00 0.00 C ATOM 1265 CE1 HIS A 83 -3.919 -5.347 8.459 1.00 0.00 C ATOM 1266 NE2 HIS A 83 -4.836 -5.014 7.570 1.00 0.00 N ATOM 0 H HIS A 83 -3.245 -10.300 8.893 1.00 0.00 H new ATOM 0 HA HIS A 83 -5.752 -8.824 9.461 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -4.100 -9.093 6.946 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -5.832 -8.855 6.829 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -6.162 -6.210 6.296 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -3.318 -4.659 9.035 1.00 0.00 H new ATOM 0 HE2 HIS A 83 -5.094 -4.061 7.314 1.00 0.00 H new ATOM 1275 N ASN A 84 -7.074 -10.634 7.910 1.00 0.00 N ATOM 1276 CA ASN A 84 -7.894 -11.803 7.611 1.00 0.00 C ATOM 1277 C ASN A 84 -7.193 -12.727 6.619 1.00 0.00 C ATOM 1278 O ASN A 84 -6.729 -13.807 6.985 1.00 0.00 O ATOM 1279 CB ASN A 84 -9.251 -11.368 7.053 1.00 0.00 C ATOM 1280 CG ASN A 84 -10.197 -12.536 6.855 1.00 0.00 C ATOM 1281 OD1 ASN A 84 -10.041 -13.245 5.743 1.00 0.00 O flip ATOM 1282 ND2 ASN A 84 -11.060 -12.798 7.693 1.00 0.00 N flip ATOM 0 H ASN A 84 -7.476 -9.748 7.603 1.00 0.00 H new ATOM 0 HA ASN A 84 -8.048 -12.353 8.539 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -9.706 -10.647 7.732 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -9.103 -10.859 6.101 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -11.145 -12.227 8.534 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -11.690 -13.587 7.547 1.00 0.00 H new ATOM 1289 N LEU A 85 -7.121 -12.299 5.363 1.00 0.00 N ATOM 1290 CA LEU A 85 -6.479 -13.092 4.320 1.00 0.00 C ATOM 1291 C LEU A 85 -5.390 -12.290 3.618 1.00 0.00 C ATOM 1292 O LEU A 85 -5.148 -11.129 3.948 1.00 0.00 O ATOM 1293 CB LEU A 85 -7.517 -13.564 3.299 1.00 0.00 C ATOM 1294 CG LEU A 85 -8.433 -12.467 2.753 1.00 0.00 C ATOM 1295 CD1 LEU A 85 -7.669 -11.557 1.803 1.00 0.00 C ATOM 1296 CD2 LEU A 85 -9.638 -13.078 2.055 1.00 0.00 C ATOM 0 H LEU A 85 -7.499 -11.408 5.042 1.00 0.00 H new ATOM 0 HA LEU A 85 -6.019 -13.961 4.791 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -6.996 -14.031 2.463 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -8.134 -14.335 3.761 1.00 0.00 H new ATOM 0 HG LEU A 85 -8.789 -11.867 3.591 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -8.337 -10.783 1.425 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -6.838 -11.092 2.334 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -7.284 -12.143 0.969 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -10.279 -12.283 1.673 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -9.301 -13.702 1.227 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -10.199 -13.687 2.764 1.00 0.00 H new ATOM 1308 N ASN A 86 -4.737 -12.916 2.645 1.00 0.00 N ATOM 1309 CA ASN A 86 -3.674 -12.262 1.892 1.00 0.00 C ATOM 1310 C ASN A 86 -4.079 -12.077 0.434 1.00 0.00 C ATOM 1311 O ASN A 86 -4.523 -13.020 -0.222 1.00 0.00 O ATOM 1312 CB ASN A 86 -2.382 -13.076 1.978 1.00 0.00 C ATOM 1313 CG ASN A 86 -2.562 -14.506 1.510 1.00 0.00 C ATOM 1314 OD1 ASN A 86 -2.845 -14.757 0.338 1.00 0.00 O ATOM 1315 ND2 ASN A 86 -2.399 -15.454 2.426 1.00 0.00 N ATOM 0 H ASN A 86 -4.926 -13.877 2.359 1.00 0.00 H new ATOM 0 HA ASN A 86 -3.502 -11.279 2.331 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -1.613 -12.594 1.375 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -2.025 -13.077 3.008 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -2.508 -16.435 2.169 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -2.165 -15.201 3.386 1.00 0.00 H new ATOM 1322 N ASN A 87 -3.928 -10.856 -0.069 1.00 0.00 N ATOM 1323 CA ASN A 87 -4.283 -10.553 -1.450 1.00 0.00 C ATOM 1324 C ASN A 87 -3.043 -10.351 -2.312 1.00 0.00 C ATOM 1325 O ASN A 87 -3.110 -10.423 -3.546 1.00 0.00 O ATOM 1326 CB ASN A 87 -5.164 -9.309 -1.516 1.00 0.00 C ATOM 1327 CG ASN A 87 -4.593 -8.147 -0.725 1.00 0.00 C ATOM 1328 OD1 ASN A 87 -4.040 -8.329 0.360 1.00 0.00 O ATOM 1329 ND2 ASN A 87 -4.726 -6.941 -1.266 1.00 0.00 N ATOM 0 H ASN A 87 -3.563 -10.062 0.458 1.00 0.00 H new ATOM 0 HA ASN A 87 -4.837 -11.407 -1.840 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -5.286 -9.010 -2.557 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -6.156 -9.550 -1.135 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -4.363 -6.121 -0.780 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -5.191 -6.835 -2.168 1.00 0.00 H new ATOM 1336 N TYR A 88 -1.904 -10.097 -1.676 1.00 0.00 N ATOM 1337 CA TYR A 88 -0.685 -9.900 -2.428 1.00 0.00 C ATOM 1338 C TYR A 88 0.210 -11.123 -2.335 1.00 0.00 C ATOM 1339 O TYR A 88 0.241 -11.814 -1.317 1.00 0.00 O ATOM 1340 CB TYR A 88 0.063 -8.643 -1.970 1.00 0.00 C ATOM 1341 CG TYR A 88 0.031 -8.398 -0.481 1.00 0.00 C ATOM 1342 CD1 TYR A 88 0.884 -9.084 0.374 1.00 0.00 C ATOM 1343 CD2 TYR A 88 -0.841 -7.468 0.069 1.00 0.00 C ATOM 1344 CE1 TYR A 88 0.866 -8.853 1.735 1.00 0.00 C ATOM 1345 CE2 TYR A 88 -0.862 -7.229 1.429 1.00 0.00 C ATOM 1346 CZ TYR A 88 -0.008 -7.924 2.256 1.00 0.00 C ATOM 1347 OH TYR A 88 -0.026 -7.689 3.611 1.00 0.00 O ATOM 0 H TYR A 88 -1.806 -10.025 -0.663 1.00 0.00 H new ATOM 0 HA TYR A 88 -0.963 -9.756 -3.472 1.00 0.00 H new ATOM 0 HB2 TYR A 88 1.102 -8.718 -2.290 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -0.364 -7.778 -2.476 1.00 0.00 H new ATOM 0 HD1 TYR A 88 1.573 -9.810 -0.033 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -1.513 -6.923 -0.577 1.00 0.00 H new ATOM 0 HE1 TYR A 88 1.533 -9.397 2.387 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -1.545 -6.501 1.842 1.00 0.00 H new ATOM 0 HH TYR A 88 0.476 -8.393 4.072 1.00 0.00 H new ATOM 1357 N ASP A 89 0.923 -11.389 -3.418 1.00 0.00 N ATOM 1358 CA ASP A 89 1.803 -12.521 -3.499 1.00 0.00 C ATOM 1359 C ASP A 89 3.251 -12.033 -3.490 1.00 0.00 C ATOM 1360 O ASP A 89 3.577 -10.984 -4.051 1.00 0.00 O ATOM 1361 CB ASP A 89 1.431 -13.295 -4.765 1.00 0.00 C ATOM 1362 CG ASP A 89 2.603 -13.963 -5.462 1.00 0.00 C ATOM 1363 OD1 ASP A 89 3.561 -14.366 -4.769 1.00 0.00 O ATOM 1364 OD2 ASP A 89 2.555 -14.092 -6.703 1.00 0.00 O ATOM 0 H ASP A 89 0.901 -10.818 -4.263 1.00 0.00 H new ATOM 0 HA ASP A 89 1.701 -13.192 -2.646 1.00 0.00 H new ATOM 0 HB2 ASP A 89 0.696 -14.057 -4.507 1.00 0.00 H new ATOM 0 HB3 ASP A 89 0.950 -12.612 -5.465 1.00 0.00 H new ATOM 1369 N LEU A 90 4.103 -12.771 -2.809 1.00 0.00 N ATOM 1370 CA LEU A 90 5.505 -12.379 -2.679 1.00 0.00 C ATOM 1371 C LEU A 90 6.481 -13.475 -3.106 1.00 0.00 C ATOM 1372 O LEU A 90 6.129 -14.648 -3.229 1.00 0.00 O ATOM 1373 CB LEU A 90 5.812 -11.982 -1.228 1.00 0.00 C ATOM 1374 CG LEU A 90 5.214 -10.652 -0.754 1.00 0.00 C ATOM 1375 CD1 LEU A 90 5.293 -10.550 0.763 1.00 0.00 C ATOM 1376 CD2 LEU A 90 5.935 -9.481 -1.405 1.00 0.00 C ATOM 0 H LEU A 90 3.859 -13.642 -2.337 1.00 0.00 H new ATOM 0 HA LEU A 90 5.646 -11.532 -3.351 1.00 0.00 H new ATOM 0 HB2 LEU A 90 5.452 -12.774 -0.572 1.00 0.00 H new ATOM 0 HB3 LEU A 90 6.894 -11.935 -1.106 1.00 0.00 H new ATOM 0 HG LEU A 90 4.166 -10.617 -1.051 1.00 0.00 H new ATOM 0 HD11 LEU A 90 4.865 -9.601 1.087 1.00 0.00 H new ATOM 0 HD12 LEU A 90 4.735 -11.372 1.212 1.00 0.00 H new ATOM 0 HD13 LEU A 90 6.335 -10.604 1.078 1.00 0.00 H new ATOM 0 HD21 LEU A 90 5.497 -8.545 -1.057 1.00 0.00 H new ATOM 0 HD22 LEU A 90 6.991 -9.509 -1.137 1.00 0.00 H new ATOM 0 HD23 LEU A 90 5.834 -9.548 -2.488 1.00 0.00 H new ATOM 1388 N ARG A 91 7.726 -13.047 -3.295 1.00 0.00 N ATOM 1389 CA ARG A 91 8.839 -13.913 -3.673 1.00 0.00 C ATOM 1390 C ARG A 91 10.115 -13.258 -3.159 1.00 0.00 C ATOM 1391 O ARG A 91 10.305 -12.063 -3.355 1.00 0.00 O ATOM 1392 CB ARG A 91 8.899 -14.095 -5.193 1.00 0.00 C ATOM 1393 CG ARG A 91 8.661 -15.527 -5.645 1.00 0.00 C ATOM 1394 CD ARG A 91 7.221 -15.742 -6.081 1.00 0.00 C ATOM 1395 NE ARG A 91 6.940 -17.147 -6.366 1.00 0.00 N ATOM 1396 CZ ARG A 91 7.258 -17.751 -7.509 1.00 0.00 C ATOM 1397 NH1 ARG A 91 7.866 -17.077 -8.477 1.00 0.00 N ATOM 1398 NH2 ARG A 91 6.966 -19.032 -7.684 1.00 0.00 N ATOM 0 H ARG A 91 7.995 -12.069 -3.188 1.00 0.00 H new ATOM 0 HA ARG A 91 8.714 -14.905 -3.239 1.00 0.00 H new ATOM 0 HB2 ARG A 91 8.155 -13.448 -5.658 1.00 0.00 H new ATOM 0 HB3 ARG A 91 9.875 -13.767 -5.551 1.00 0.00 H new ATOM 0 HG2 ARG A 91 9.332 -15.765 -6.471 1.00 0.00 H new ATOM 0 HG3 ARG A 91 8.902 -16.211 -4.831 1.00 0.00 H new ATOM 0 HD2 ARG A 91 6.549 -15.389 -5.299 1.00 0.00 H new ATOM 0 HD3 ARG A 91 7.018 -15.144 -6.969 1.00 0.00 H new ATOM 0 HE ARG A 91 6.472 -17.698 -5.646 1.00 0.00 H new ATOM 0 HH11 ARG A 91 8.092 -16.091 -8.347 1.00 0.00 H new ATOM 0 HH12 ARG A 91 8.107 -17.545 -9.351 1.00 0.00 H new ATOM 0 HH21 ARG A 91 6.498 -19.554 -6.943 1.00 0.00 H new ATOM 0 HH22 ARG A 91 7.209 -19.496 -8.559 1.00 0.00 H new ATOM 1412 N SER A 92 10.965 -14.001 -2.458 1.00 0.00 N ATOM 1413 CA SER A 92 12.165 -13.390 -1.886 1.00 0.00 C ATOM 1414 C SER A 92 13.446 -13.704 -2.645 1.00 0.00 C ATOM 1415 O SER A 92 13.634 -14.793 -3.186 1.00 0.00 O ATOM 1416 CB SER A 92 12.330 -13.802 -0.425 1.00 0.00 C ATOM 1417 OG SER A 92 12.362 -15.212 -0.290 1.00 0.00 O ATOM 0 H SER A 92 10.854 -14.998 -2.274 1.00 0.00 H new ATOM 0 HA SER A 92 12.009 -12.314 -1.967 1.00 0.00 H new ATOM 0 HB2 SER A 92 13.250 -13.375 -0.026 1.00 0.00 H new ATOM 0 HB3 SER A 92 11.508 -13.396 0.165 1.00 0.00 H new ATOM 0 HG SER A 92 12.470 -15.448 0.655 1.00 0.00 H new ATOM 1423 N VAL A 93 14.324 -12.704 -2.643 1.00 0.00 N ATOM 1424 CA VAL A 93 15.627 -12.765 -3.284 1.00 0.00 C ATOM 1425 C VAL A 93 16.478 -11.583 -2.782 1.00 0.00 C ATOM 1426 O VAL A 93 16.659 -11.427 -1.570 1.00 0.00 O ATOM 1427 CB VAL A 93 15.503 -12.737 -4.824 1.00 0.00 C ATOM 1428 CG1 VAL A 93 15.057 -14.092 -5.351 1.00 0.00 C ATOM 1429 CG2 VAL A 93 14.539 -11.643 -5.265 1.00 0.00 C ATOM 0 H VAL A 93 14.142 -11.811 -2.185 1.00 0.00 H new ATOM 0 HA VAL A 93 16.110 -13.707 -3.023 1.00 0.00 H new ATOM 0 HB VAL A 93 16.485 -12.515 -5.243 1.00 0.00 H new ATOM 0 HG11 VAL A 93 14.976 -14.051 -6.437 1.00 0.00 H new ATOM 0 HG12 VAL A 93 15.788 -14.850 -5.070 1.00 0.00 H new ATOM 0 HG13 VAL A 93 14.087 -14.347 -4.924 1.00 0.00 H new ATOM 0 HG21 VAL A 93 14.465 -11.640 -6.353 1.00 0.00 H new ATOM 0 HG22 VAL A 93 13.555 -11.830 -4.835 1.00 0.00 H new ATOM 0 HG23 VAL A 93 14.906 -10.675 -4.923 1.00 0.00 H new ATOM 1439 N GLY A 94 16.972 -10.733 -3.692 1.00 0.00 N ATOM 1440 CA GLY A 94 17.761 -9.576 -3.285 1.00 0.00 C ATOM 1441 C GLY A 94 18.625 -9.828 -2.065 1.00 0.00 C ATOM 1442 O GLY A 94 18.799 -8.935 -1.239 1.00 0.00 O ATOM 0 H GLY A 94 16.839 -10.827 -4.699 1.00 0.00 H new ATOM 0 HA2 GLY A 94 18.399 -9.272 -4.115 1.00 0.00 H new ATOM 0 HA3 GLY A 94 17.089 -8.743 -3.078 1.00 0.00 H new ATOM 1446 N ASN A 95 19.144 -11.050 -1.932 1.00 0.00 N ATOM 1447 CA ASN A 95 19.958 -11.406 -0.773 1.00 0.00 C ATOM 1448 C ASN A 95 19.078 -11.354 0.470 1.00 0.00 C ATOM 1449 O ASN A 95 18.742 -12.382 1.057 1.00 0.00 O ATOM 1450 CB ASN A 95 21.159 -10.456 -0.637 1.00 0.00 C ATOM 1451 CG ASN A 95 21.743 -10.434 0.764 1.00 0.00 C ATOM 1452 OD1 ASN A 95 22.345 -11.409 1.214 1.00 0.00 O ATOM 1453 ND2 ASN A 95 21.566 -9.317 1.461 1.00 0.00 N ATOM 0 H ASN A 95 19.016 -11.803 -2.608 1.00 0.00 H new ATOM 0 HA ASN A 95 20.356 -12.413 -0.897 1.00 0.00 H new ATOM 0 HB2 ASN A 95 21.934 -10.756 -1.343 1.00 0.00 H new ATOM 0 HB3 ASN A 95 20.850 -9.447 -0.912 1.00 0.00 H new ATOM 0 HD21 ASN A 95 21.936 -9.243 2.409 1.00 0.00 H new ATOM 0 HD22 ASN A 95 21.060 -8.533 1.048 1.00 0.00 H new ATOM 1460 N GLY A 96 18.675 -10.143 0.831 1.00 0.00 N ATOM 1461 CA GLY A 96 17.798 -9.944 1.960 1.00 0.00 C ATOM 1462 C GLY A 96 16.580 -9.136 1.556 1.00 0.00 C ATOM 1463 O GLY A 96 15.959 -8.473 2.386 1.00 0.00 O ATOM 0 H GLY A 96 18.947 -9.285 0.351 1.00 0.00 H new ATOM 0 HA2 GLY A 96 17.485 -10.909 2.358 1.00 0.00 H new ATOM 0 HA3 GLY A 96 18.334 -9.429 2.757 1.00 0.00 H new ATOM 1467 N ASN A 97 16.239 -9.192 0.264 1.00 0.00 N ATOM 1468 CA ASN A 97 15.095 -8.462 -0.259 1.00 0.00 C ATOM 1469 C ASN A 97 14.137 -9.406 -0.963 1.00 0.00 C ATOM 1470 O ASN A 97 14.476 -10.549 -1.249 1.00 0.00 O ATOM 1471 CB ASN A 97 15.518 -7.349 -1.220 1.00 0.00 C ATOM 1472 CG ASN A 97 16.976 -6.952 -1.077 1.00 0.00 C ATOM 1473 OD1 ASN A 97 17.712 -6.881 -2.061 1.00 0.00 O ATOM 1474 ND2 ASN A 97 17.398 -6.685 0.154 1.00 0.00 N ATOM 0 H ASN A 97 16.744 -9.738 -0.434 1.00 0.00 H new ATOM 0 HA ASN A 97 14.593 -8.001 0.592 1.00 0.00 H new ATOM 0 HB2 ASN A 97 15.336 -7.675 -2.244 1.00 0.00 H new ATOM 0 HB3 ASN A 97 14.892 -6.473 -1.048 1.00 0.00 H new ATOM 0 HD21 ASN A 97 18.367 -6.408 0.312 1.00 0.00 H new ATOM 0 HD22 ASN A 97 16.753 -6.757 0.941 1.00 0.00 H new ATOM 1481 N SER A 98 12.935 -8.926 -1.230 1.00 0.00 N ATOM 1482 CA SER A 98 11.931 -9.736 -1.893 1.00 0.00 C ATOM 1483 C SER A 98 11.115 -8.907 -2.867 1.00 0.00 C ATOM 1484 O SER A 98 10.955 -7.704 -2.698 1.00 0.00 O ATOM 1485 CB SER A 98 11.002 -10.359 -0.857 1.00 0.00 C ATOM 1486 OG SER A 98 9.824 -10.869 -1.455 1.00 0.00 O ATOM 0 H SER A 98 12.632 -7.980 -0.998 1.00 0.00 H new ATOM 0 HA SER A 98 12.443 -10.520 -2.450 1.00 0.00 H new ATOM 0 HB2 SER A 98 11.523 -11.162 -0.336 1.00 0.00 H new ATOM 0 HB3 SER A 98 10.737 -9.612 -0.109 1.00 0.00 H new ATOM 0 HG SER A 98 10.024 -11.174 -2.365 1.00 0.00 H new ATOM 1492 N VAL A 99 10.575 -9.570 -3.867 1.00 0.00 N ATOM 1493 CA VAL A 99 9.749 -8.915 -4.859 1.00 0.00 C ATOM 1494 C VAL A 99 8.299 -9.247 -4.570 1.00 0.00 C ATOM 1495 O VAL A 99 8.017 -10.220 -3.868 1.00 0.00 O ATOM 1496 CB VAL A 99 10.130 -9.380 -6.280 1.00 0.00 C ATOM 1497 CG1 VAL A 99 8.929 -9.933 -7.033 1.00 0.00 C ATOM 1498 CG2 VAL A 99 10.783 -8.248 -7.058 1.00 0.00 C ATOM 0 H VAL A 99 10.695 -10.572 -4.015 1.00 0.00 H new ATOM 0 HA VAL A 99 9.903 -7.837 -4.809 1.00 0.00 H new ATOM 0 HB VAL A 99 10.851 -10.191 -6.178 1.00 0.00 H new ATOM 0 HG11 VAL A 99 9.238 -10.250 -8.029 1.00 0.00 H new ATOM 0 HG12 VAL A 99 8.521 -10.786 -6.491 1.00 0.00 H new ATOM 0 HG13 VAL A 99 8.166 -9.160 -7.119 1.00 0.00 H new ATOM 0 HG21 VAL A 99 11.044 -8.597 -8.057 1.00 0.00 H new ATOM 0 HG22 VAL A 99 10.088 -7.412 -7.135 1.00 0.00 H new ATOM 0 HG23 VAL A 99 11.685 -7.923 -6.540 1.00 0.00 H new ATOM 1508 N LEU A 100 7.375 -8.449 -5.083 1.00 0.00 N ATOM 1509 CA LEU A 100 5.976 -8.715 -4.819 1.00 0.00 C ATOM 1510 C LEU A 100 5.126 -8.813 -6.074 1.00 0.00 C ATOM 1511 O LEU A 100 4.857 -7.830 -6.761 1.00 0.00 O ATOM 1512 CB LEU A 100 5.389 -7.680 -3.845 1.00 0.00 C ATOM 1513 CG LEU A 100 4.673 -6.471 -4.468 1.00 0.00 C ATOM 1514 CD1 LEU A 100 3.260 -6.339 -3.912 1.00 0.00 C ATOM 1515 CD2 LEU A 100 5.476 -5.204 -4.228 1.00 0.00 C ATOM 0 H LEU A 100 7.563 -7.635 -5.668 1.00 0.00 H new ATOM 0 HA LEU A 100 5.945 -9.700 -4.353 1.00 0.00 H new ATOM 0 HB2 LEU A 100 4.684 -8.192 -3.190 1.00 0.00 H new ATOM 0 HB3 LEU A 100 6.198 -7.309 -3.216 1.00 0.00 H new ATOM 0 HG LEU A 100 4.595 -6.626 -5.544 1.00 0.00 H new ATOM 0 HD11 LEU A 100 2.770 -5.477 -4.365 1.00 0.00 H new ATOM 0 HD12 LEU A 100 2.693 -7.241 -4.141 1.00 0.00 H new ATOM 0 HD13 LEU A 100 3.305 -6.204 -2.831 1.00 0.00 H new ATOM 0 HD21 LEU A 100 4.958 -4.355 -4.674 1.00 0.00 H new ATOM 0 HD22 LEU A 100 5.585 -5.040 -3.156 1.00 0.00 H new ATOM 0 HD23 LEU A 100 6.462 -5.307 -4.681 1.00 0.00 H new ATOM 1527 N VAL A 101 4.631 -10.009 -6.295 1.00 0.00 N ATOM 1528 CA VAL A 101 3.705 -10.267 -7.373 1.00 0.00 C ATOM 1529 C VAL A 101 2.375 -10.407 -6.661 1.00 0.00 C ATOM 1530 O VAL A 101 2.192 -11.313 -5.865 1.00 0.00 O ATOM 1531 CB VAL A 101 4.059 -11.540 -8.184 1.00 0.00 C ATOM 1532 CG1 VAL A 101 4.722 -12.585 -7.299 1.00 0.00 C ATOM 1533 CG2 VAL A 101 2.827 -12.116 -8.871 1.00 0.00 C ATOM 0 H VAL A 101 4.859 -10.829 -5.733 1.00 0.00 H new ATOM 0 HA VAL A 101 3.714 -9.474 -8.121 1.00 0.00 H new ATOM 0 HB VAL A 101 4.770 -11.252 -8.958 1.00 0.00 H new ATOM 0 HG11 VAL A 101 4.960 -13.467 -7.893 1.00 0.00 H new ATOM 0 HG12 VAL A 101 5.639 -12.175 -6.876 1.00 0.00 H new ATOM 0 HG13 VAL A 101 4.043 -12.863 -6.493 1.00 0.00 H new ATOM 0 HG21 VAL A 101 3.107 -13.008 -9.432 1.00 0.00 H new ATOM 0 HG22 VAL A 101 2.081 -12.378 -8.121 1.00 0.00 H new ATOM 0 HG23 VAL A 101 2.410 -11.374 -9.553 1.00 0.00 H new ATOM 1543 N SER A 102 1.499 -9.445 -6.817 1.00 0.00 N ATOM 1544 CA SER A 102 0.281 -9.471 -6.039 1.00 0.00 C ATOM 1545 C SER A 102 -0.965 -9.091 -6.785 1.00 0.00 C ATOM 1546 O SER A 102 -0.922 -8.476 -7.847 1.00 0.00 O ATOM 1547 CB SER A 102 0.449 -8.512 -4.865 1.00 0.00 C ATOM 1548 OG SER A 102 0.946 -7.259 -5.301 1.00 0.00 O ATOM 0 H SER A 102 1.598 -8.655 -7.455 1.00 0.00 H new ATOM 0 HA SER A 102 0.140 -10.508 -5.733 1.00 0.00 H new ATOM 0 HB2 SER A 102 -0.509 -8.373 -4.364 1.00 0.00 H new ATOM 0 HB3 SER A 102 1.132 -8.943 -4.133 1.00 0.00 H new ATOM 0 HG SER A 102 0.614 -6.552 -4.710 1.00 0.00 H new ATOM 1554 N LEU A 103 -2.076 -9.431 -6.130 1.00 0.00 N ATOM 1555 CA LEU A 103 -3.420 -9.128 -6.573 1.00 0.00 C ATOM 1556 C LEU A 103 -4.307 -10.359 -6.635 1.00 0.00 C ATOM 1557 O LEU A 103 -4.535 -10.936 -7.698 1.00 0.00 O ATOM 1558 CB LEU A 103 -3.492 -8.346 -7.893 1.00 0.00 C ATOM 1559 CG LEU A 103 -3.685 -6.833 -7.733 1.00 0.00 C ATOM 1560 CD1 LEU A 103 -5.158 -6.495 -7.565 1.00 0.00 C ATOM 1561 CD2 LEU A 103 -2.884 -6.308 -6.547 1.00 0.00 C ATOM 0 H LEU A 103 -2.054 -9.942 -5.248 1.00 0.00 H new ATOM 0 HA LEU A 103 -3.807 -8.464 -5.800 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -2.575 -8.524 -8.455 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -4.314 -8.742 -8.490 1.00 0.00 H new ATOM 0 HG LEU A 103 -3.319 -6.348 -8.638 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -5.273 -5.417 -7.453 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -5.711 -6.830 -8.443 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -5.547 -6.996 -6.678 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -3.036 -5.233 -6.453 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -3.218 -6.803 -5.635 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -1.825 -6.512 -6.704 1.00 0.00 H new ATOM 1573 N ARG A 104 -4.842 -10.712 -5.477 1.00 0.00 N ATOM 1574 CA ARG A 104 -5.760 -11.829 -5.348 1.00 0.00 C ATOM 1575 C ARG A 104 -7.177 -11.270 -5.182 1.00 0.00 C ATOM 1576 O ARG A 104 -8.087 -11.943 -4.699 1.00 0.00 O ATOM 1577 CB ARG A 104 -5.360 -12.684 -4.145 1.00 0.00 C ATOM 1578 CG ARG A 104 -4.788 -14.039 -4.522 1.00 0.00 C ATOM 1579 CD ARG A 104 -3.487 -13.898 -5.296 1.00 0.00 C ATOM 1580 NE ARG A 104 -2.321 -14.117 -4.444 1.00 0.00 N ATOM 1581 CZ ARG A 104 -1.868 -15.321 -4.101 1.00 0.00 C ATOM 1582 NH1 ARG A 104 -2.470 -16.416 -4.548 1.00 0.00 N ATOM 1583 NH2 ARG A 104 -0.811 -15.431 -3.309 1.00 0.00 N ATOM 0 H ARG A 104 -4.650 -10.230 -4.599 1.00 0.00 H new ATOM 0 HA ARG A 104 -5.726 -12.462 -6.235 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -4.623 -12.141 -3.553 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -6.233 -12.832 -3.509 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -4.614 -14.626 -3.620 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -5.513 -14.587 -5.124 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -3.475 -14.613 -6.119 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -3.433 -12.903 -5.737 1.00 0.00 H new ATOM 0 HE ARG A 104 -1.824 -13.299 -4.091 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -3.284 -16.338 -5.158 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -2.119 -17.336 -4.282 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -0.344 -14.593 -2.962 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -0.464 -16.354 -3.046 1.00 0.00 H new ATOM 1597 N SER A 105 -7.314 -10.003 -5.587 1.00 0.00 N ATOM 1598 CA SER A 105 -8.551 -9.231 -5.519 1.00 0.00 C ATOM 1599 C SER A 105 -8.162 -7.755 -5.542 1.00 0.00 C ATOM 1600 O SER A 105 -6.971 -7.443 -5.537 1.00 0.00 O ATOM 1601 CB SER A 105 -9.363 -9.570 -4.266 1.00 0.00 C ATOM 1602 OG SER A 105 -10.171 -10.715 -4.474 1.00 0.00 O ATOM 0 H SER A 105 -6.538 -9.472 -5.984 1.00 0.00 H new ATOM 0 HA SER A 105 -9.192 -9.474 -6.367 1.00 0.00 H new ATOM 0 HB2 SER A 105 -8.688 -9.745 -3.428 1.00 0.00 H new ATOM 0 HB3 SER A 105 -9.992 -8.722 -3.996 1.00 0.00 H new ATOM 0 HG SER A 105 -9.632 -11.426 -4.880 1.00 0.00 H new ATOM 1608 N ASP A 106 -9.123 -6.839 -5.586 1.00 0.00 N ATOM 1609 CA ASP A 106 -8.768 -5.422 -5.631 1.00 0.00 C ATOM 1610 C ASP A 106 -9.039 -4.721 -4.306 1.00 0.00 C ATOM 1611 O ASP A 106 -10.174 -4.362 -3.997 1.00 0.00 O ATOM 1612 CB ASP A 106 -9.540 -4.726 -6.755 1.00 0.00 C ATOM 1613 CG ASP A 106 -8.663 -4.412 -7.951 1.00 0.00 C ATOM 1614 OD1 ASP A 106 -7.531 -3.927 -7.746 1.00 0.00 O ATOM 1615 OD2 ASP A 106 -9.108 -4.653 -9.093 1.00 0.00 O ATOM 0 H ASP A 106 -10.123 -7.040 -5.592 1.00 0.00 H new ATOM 0 HA ASP A 106 -7.697 -5.359 -5.824 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -10.367 -5.362 -7.071 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -9.975 -3.802 -6.375 1.00 0.00 H new ATOM 1620 N GLN A 107 -7.973 -4.504 -3.543 1.00 0.00 N ATOM 1621 CA GLN A 107 -8.064 -3.811 -2.269 1.00 0.00 C ATOM 1622 C GLN A 107 -6.678 -3.468 -1.746 1.00 0.00 C ATOM 1623 O GLN A 107 -5.683 -4.039 -2.190 1.00 0.00 O ATOM 1624 CB GLN A 107 -8.837 -4.643 -1.255 1.00 0.00 C ATOM 1625 CG GLN A 107 -10.108 -3.964 -0.794 1.00 0.00 C ATOM 1626 CD GLN A 107 -11.096 -4.924 -0.175 1.00 0.00 C ATOM 1627 OE1 GLN A 107 -12.200 -5.100 -0.681 1.00 0.00 O ATOM 1628 NE2 GLN A 107 -10.706 -5.535 0.931 1.00 0.00 N ATOM 0 H GLN A 107 -7.029 -4.802 -3.790 1.00 0.00 H new ATOM 0 HA GLN A 107 -8.608 -2.880 -2.425 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -9.085 -5.609 -1.696 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -8.201 -4.840 -0.392 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -9.858 -3.190 -0.068 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -10.576 -3.466 -1.643 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -9.777 -5.355 1.313 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -11.334 -6.186 1.402 1.00 0.00 H new ATOM 1637 N MET A 108 -6.611 -2.556 -0.786 1.00 0.00 N ATOM 1638 CA MET A 108 -5.331 -2.182 -0.204 1.00 0.00 C ATOM 1639 C MET A 108 -5.491 -1.399 1.092 1.00 0.00 C ATOM 1640 O MET A 108 -6.276 -0.455 1.178 1.00 0.00 O ATOM 1641 CB MET A 108 -4.494 -1.375 -1.195 1.00 0.00 C ATOM 1642 CG MET A 108 -2.996 -1.572 -1.012 1.00 0.00 C ATOM 1643 SD MET A 108 -2.330 -2.881 -2.060 1.00 0.00 S ATOM 1644 CE MET A 108 -2.394 -4.280 -0.945 1.00 0.00 C ATOM 0 H MET A 108 -7.418 -2.067 -0.398 1.00 0.00 H new ATOM 0 HA MET A 108 -4.813 -3.112 0.030 1.00 0.00 H new ATOM 0 HB2 MET A 108 -4.770 -1.659 -2.210 1.00 0.00 H new ATOM 0 HB3 MET A 108 -4.731 -0.317 -1.084 1.00 0.00 H new ATOM 0 HG2 MET A 108 -2.481 -0.637 -1.235 1.00 0.00 H new ATOM 0 HG3 MET A 108 -2.790 -1.808 0.032 1.00 0.00 H new ATOM 0 HE1 MET A 108 -1.381 -4.576 -0.674 1.00 0.00 H new ATOM 0 HE2 MET A 108 -2.944 -4.004 -0.046 1.00 0.00 H new ATOM 0 HE3 MET A 108 -2.896 -5.114 -1.436 1.00 0.00 H new ATOM 1654 N THR A 109 -4.713 -1.798 2.086 1.00 0.00 N ATOM 1655 CA THR A 109 -4.712 -1.150 3.391 1.00 0.00 C ATOM 1656 C THR A 109 -3.475 -0.261 3.513 1.00 0.00 C ATOM 1657 O THR A 109 -2.505 -0.445 2.778 1.00 0.00 O ATOM 1658 CB THR A 109 -4.705 -2.200 4.513 1.00 0.00 C ATOM 1659 OG1 THR A 109 -3.380 -2.494 4.921 1.00 0.00 O ATOM 1660 CG2 THR A 109 -5.358 -3.508 4.123 1.00 0.00 C ATOM 0 H THR A 109 -4.063 -2.581 2.012 1.00 0.00 H new ATOM 0 HA THR A 109 -5.613 -0.545 3.486 1.00 0.00 H new ATOM 0 HB THR A 109 -5.281 -1.751 5.322 1.00 0.00 H new ATOM 0 HG1 THR A 109 -3.399 -3.164 5.636 1.00 0.00 H new ATOM 0 HG21 THR A 109 -5.316 -4.200 4.964 1.00 0.00 H new ATOM 0 HG22 THR A 109 -6.398 -3.329 3.852 1.00 0.00 H new ATOM 0 HG23 THR A 109 -4.831 -3.938 3.272 1.00 0.00 H new ATOM 1668 N LEU A 110 -3.507 0.705 4.430 1.00 0.00 N ATOM 1669 CA LEU A 110 -2.375 1.611 4.616 1.00 0.00 C ATOM 1670 C LEU A 110 -1.066 0.839 4.678 1.00 0.00 C ATOM 1671 O LEU A 110 -0.200 1.009 3.820 1.00 0.00 O ATOM 1672 CB LEU A 110 -2.549 2.451 5.879 1.00 0.00 C ATOM 1673 CG LEU A 110 -3.612 3.538 5.776 1.00 0.00 C ATOM 1674 CD1 LEU A 110 -4.167 3.881 7.148 1.00 0.00 C ATOM 1675 CD2 LEU A 110 -3.031 4.770 5.109 1.00 0.00 C ATOM 0 H LEU A 110 -4.297 0.880 5.051 1.00 0.00 H new ATOM 0 HA LEU A 110 -2.343 2.281 3.757 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -2.803 1.790 6.707 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -1.594 2.917 6.124 1.00 0.00 H new ATOM 0 HG LEU A 110 -4.434 3.165 5.166 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -4.924 4.659 7.050 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -4.615 2.992 7.592 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -3.360 4.238 7.788 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -3.798 5.542 5.039 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -2.194 5.142 5.699 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -2.684 4.512 4.108 1.00 0.00 H new ATOM 1687 N GLN A 111 -0.927 -0.018 5.689 1.00 0.00 N ATOM 1688 CA GLN A 111 0.288 -0.820 5.836 1.00 0.00 C ATOM 1689 C GLN A 111 0.708 -1.406 4.490 1.00 0.00 C ATOM 1690 O GLN A 111 1.783 -1.101 3.980 1.00 0.00 O ATOM 1691 CB GLN A 111 0.088 -1.946 6.859 1.00 0.00 C ATOM 1692 CG GLN A 111 1.227 -2.963 6.885 1.00 0.00 C ATOM 1693 CD GLN A 111 2.419 -2.500 7.701 1.00 0.00 C ATOM 1694 OE1 GLN A 111 3.282 -1.697 7.090 1.00 0.00 O flip ATOM 1695 NE2 GLN A 111 2.563 -2.861 8.870 1.00 0.00 N flip ATOM 0 H GLN A 111 -1.631 -0.174 6.410 1.00 0.00 H new ATOM 0 HA GLN A 111 1.078 -0.163 6.199 1.00 0.00 H new ATOM 0 HB2 GLN A 111 -0.019 -1.508 7.851 1.00 0.00 H new ATOM 0 HB3 GLN A 111 -0.845 -2.464 6.637 1.00 0.00 H new ATOM 0 HG2 GLN A 111 0.857 -3.903 7.294 1.00 0.00 H new ATOM 0 HG3 GLN A 111 1.550 -3.165 5.864 1.00 0.00 H new ATOM 0 HE21 GLN A 111 1.876 -3.479 9.301 1.00 0.00 H new ATOM 0 HE22 GLN A 111 3.370 -2.542 9.407 1.00 0.00 H new ATOM 1704 N ASP A 112 -0.155 -2.241 3.914 1.00 0.00 N ATOM 1705 CA ASP A 112 0.124 -2.861 2.620 1.00 0.00 C ATOM 1706 C ASP A 112 0.663 -1.826 1.639 1.00 0.00 C ATOM 1707 O ASP A 112 1.675 -2.045 0.964 1.00 0.00 O ATOM 1708 CB ASP A 112 -1.143 -3.501 2.042 1.00 0.00 C ATOM 1709 CG ASP A 112 -1.921 -4.311 3.063 1.00 0.00 C ATOM 1710 OD1 ASP A 112 -1.568 -4.265 4.259 1.00 0.00 O ATOM 1711 OD2 ASP A 112 -2.889 -4.991 2.663 1.00 0.00 O ATOM 0 H ASP A 112 -1.052 -2.504 4.322 1.00 0.00 H new ATOM 0 HA ASP A 112 0.875 -3.636 2.773 1.00 0.00 H new ATOM 0 HB2 ASP A 112 -1.787 -2.719 1.641 1.00 0.00 H new ATOM 0 HB3 ASP A 112 -0.868 -4.147 1.208 1.00 0.00 H new ATOM 1716 N ALA A 113 -0.020 -0.691 1.575 1.00 0.00 N ATOM 1717 CA ALA A 113 0.383 0.383 0.688 1.00 0.00 C ATOM 1718 C ALA A 113 1.797 0.848 1.005 1.00 0.00 C ATOM 1719 O ALA A 113 2.705 0.678 0.197 1.00 0.00 O ATOM 1720 CB ALA A 113 -0.587 1.544 0.795 1.00 0.00 C ATOM 0 H ALA A 113 -0.854 -0.494 2.128 1.00 0.00 H new ATOM 0 HA ALA A 113 0.370 0.004 -0.334 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -0.273 2.344 0.124 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -1.587 1.210 0.518 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -0.599 1.914 1.820 1.00 0.00 H new ATOM 1726 N LYS A 114 1.984 1.428 2.191 1.00 0.00 N ATOM 1727 CA LYS A 114 3.303 1.907 2.596 1.00 0.00 C ATOM 1728 C LYS A 114 4.351 0.810 2.442 1.00 0.00 C ATOM 1729 O LYS A 114 5.529 1.097 2.244 1.00 0.00 O ATOM 1730 CB LYS A 114 3.295 2.441 4.034 1.00 0.00 C ATOM 1731 CG LYS A 114 2.401 1.664 4.985 1.00 0.00 C ATOM 1732 CD LYS A 114 3.191 1.094 6.156 1.00 0.00 C ATOM 1733 CE LYS A 114 3.519 2.139 7.197 1.00 0.00 C ATOM 1734 NZ LYS A 114 2.785 1.904 8.470 1.00 0.00 N ATOM 0 H LYS A 114 1.247 1.576 2.880 1.00 0.00 H new ATOM 0 HA LYS A 114 3.564 2.733 1.935 1.00 0.00 H new ATOM 0 HB2 LYS A 114 4.314 2.427 4.420 1.00 0.00 H new ATOM 0 HB3 LYS A 114 2.973 3.482 4.021 1.00 0.00 H new ATOM 0 HG2 LYS A 114 1.613 2.317 5.360 1.00 0.00 H new ATOM 0 HG3 LYS A 114 1.913 0.853 4.445 1.00 0.00 H new ATOM 0 HD2 LYS A 114 2.618 0.291 6.620 1.00 0.00 H new ATOM 0 HD3 LYS A 114 4.116 0.652 5.785 1.00 0.00 H new ATOM 0 HE2 LYS A 114 4.592 2.135 7.390 1.00 0.00 H new ATOM 0 HE3 LYS A 114 3.269 3.127 6.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 2.759 2.784 9.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 1.813 1.598 8.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 3.269 1.165 9.018 1.00 0.00 H new ATOM 1748 N VAL A 115 3.920 -0.451 2.505 1.00 0.00 N ATOM 1749 CA VAL A 115 4.848 -1.563 2.338 1.00 0.00 C ATOM 1750 C VAL A 115 5.422 -1.542 0.932 1.00 0.00 C ATOM 1751 O VAL A 115 6.628 -1.331 0.714 1.00 0.00 O ATOM 1752 CB VAL A 115 4.167 -2.935 2.541 1.00 0.00 C ATOM 1753 CG1 VAL A 115 5.153 -4.065 2.291 1.00 0.00 C ATOM 1754 CG2 VAL A 115 3.559 -3.059 3.923 1.00 0.00 C ATOM 0 H VAL A 115 2.950 -0.722 2.668 1.00 0.00 H new ATOM 0 HA VAL A 115 5.625 -1.439 3.093 1.00 0.00 H new ATOM 0 HB VAL A 115 3.357 -3.009 1.815 1.00 0.00 H new ATOM 0 HG11 VAL A 115 4.654 -5.023 2.439 1.00 0.00 H new ATOM 0 HG12 VAL A 115 5.525 -4.004 1.268 1.00 0.00 H new ATOM 0 HG13 VAL A 115 5.988 -3.980 2.986 1.00 0.00 H new ATOM 0 HG21 VAL A 115 3.090 -4.037 4.028 1.00 0.00 H new ATOM 0 HG22 VAL A 115 4.340 -2.949 4.675 1.00 0.00 H new ATOM 0 HG23 VAL A 115 2.809 -2.280 4.062 1.00 0.00 H new ATOM 1764 N LEU A 116 4.535 -1.753 -0.028 1.00 0.00 N ATOM 1765 CA LEU A 116 4.924 -1.764 -1.415 1.00 0.00 C ATOM 1766 C LEU A 116 5.441 -0.398 -1.810 1.00 0.00 C ATOM 1767 O LEU A 116 6.345 -0.290 -2.621 1.00 0.00 O ATOM 1768 CB LEU A 116 3.737 -2.155 -2.301 1.00 0.00 C ATOM 1769 CG LEU A 116 3.301 -3.624 -2.236 1.00 0.00 C ATOM 1770 CD1 LEU A 116 3.349 -4.154 -0.812 1.00 0.00 C ATOM 1771 CD2 LEU A 116 1.904 -3.789 -2.816 1.00 0.00 C ATOM 0 H LEU A 116 3.542 -1.918 0.136 1.00 0.00 H new ATOM 0 HA LEU A 116 5.715 -2.501 -1.554 1.00 0.00 H new ATOM 0 HB2 LEU A 116 2.885 -1.532 -2.028 1.00 0.00 H new ATOM 0 HB3 LEU A 116 3.988 -1.917 -3.335 1.00 0.00 H new ATOM 0 HG LEU A 116 4.002 -4.207 -2.833 1.00 0.00 H new ATOM 0 HD11 LEU A 116 3.034 -5.197 -0.801 1.00 0.00 H new ATOM 0 HD12 LEU A 116 4.367 -4.078 -0.430 1.00 0.00 H new ATOM 0 HD13 LEU A 116 2.680 -3.567 -0.182 1.00 0.00 H new ATOM 0 HD21 LEU A 116 1.609 -4.837 -2.763 1.00 0.00 H new ATOM 0 HD22 LEU A 116 1.199 -3.184 -2.245 1.00 0.00 H new ATOM 0 HD23 LEU A 116 1.901 -3.464 -3.856 1.00 0.00 H new ATOM 1783 N LEU A 117 4.860 0.643 -1.219 1.00 0.00 N ATOM 1784 CA LEU A 117 5.269 2.011 -1.506 1.00 0.00 C ATOM 1785 C LEU A 117 6.614 2.315 -0.886 1.00 0.00 C ATOM 1786 O LEU A 117 7.339 3.185 -1.358 1.00 0.00 O ATOM 1787 CB LEU A 117 4.224 3.006 -1.011 1.00 0.00 C ATOM 1788 CG LEU A 117 3.276 3.507 -2.092 1.00 0.00 C ATOM 1789 CD1 LEU A 117 1.925 2.820 -1.989 1.00 0.00 C ATOM 1790 CD2 LEU A 117 3.110 5.014 -2.005 1.00 0.00 C ATOM 0 H LEU A 117 4.104 0.563 -0.538 1.00 0.00 H new ATOM 0 HA LEU A 117 5.358 2.111 -2.588 1.00 0.00 H new ATOM 0 HB2 LEU A 117 3.639 2.537 -0.220 1.00 0.00 H new ATOM 0 HB3 LEU A 117 4.734 3.861 -0.567 1.00 0.00 H new ATOM 0 HG LEU A 117 3.712 3.262 -3.061 1.00 0.00 H new ATOM 0 HD11 LEU A 117 1.266 3.195 -2.772 1.00 0.00 H new ATOM 0 HD12 LEU A 117 2.054 1.744 -2.107 1.00 0.00 H new ATOM 0 HD13 LEU A 117 1.485 3.027 -1.014 1.00 0.00 H new ATOM 0 HD21 LEU A 117 2.429 5.351 -2.786 1.00 0.00 H new ATOM 0 HD22 LEU A 117 2.703 5.279 -1.029 1.00 0.00 H new ATOM 0 HD23 LEU A 117 4.079 5.495 -2.137 1.00 0.00 H new ATOM 1802 N GLU A 118 6.968 1.568 0.140 1.00 0.00 N ATOM 1803 CA GLU A 118 8.258 1.744 0.767 1.00 0.00 C ATOM 1804 C GLU A 118 9.282 1.202 -0.199 1.00 0.00 C ATOM 1805 O GLU A 118 10.306 1.830 -0.484 1.00 0.00 O ATOM 1806 CB GLU A 118 8.333 0.998 2.102 1.00 0.00 C ATOM 1807 CG GLU A 118 9.701 1.065 2.759 1.00 0.00 C ATOM 1808 CD GLU A 118 9.617 1.136 4.271 1.00 0.00 C ATOM 1809 OE1 GLU A 118 8.742 1.865 4.783 1.00 0.00 O ATOM 1810 OE2 GLU A 118 10.425 0.461 4.943 1.00 0.00 O ATOM 0 H GLU A 118 6.385 0.840 0.553 1.00 0.00 H new ATOM 0 HA GLU A 118 8.437 2.796 0.987 1.00 0.00 H new ATOM 0 HB2 GLU A 118 7.591 1.414 2.783 1.00 0.00 H new ATOM 0 HB3 GLU A 118 8.067 -0.047 1.941 1.00 0.00 H new ATOM 0 HG2 GLU A 118 10.282 0.188 2.472 1.00 0.00 H new ATOM 0 HG3 GLU A 118 10.237 1.938 2.387 1.00 0.00 H new ATOM 1817 N ALA A 119 8.948 0.041 -0.750 1.00 0.00 N ATOM 1818 CA ALA A 119 9.794 -0.594 -1.736 1.00 0.00 C ATOM 1819 C ALA A 119 9.618 0.080 -3.088 1.00 0.00 C ATOM 1820 O ALA A 119 10.466 -0.037 -3.973 1.00 0.00 O ATOM 1821 CB ALA A 119 9.481 -2.075 -1.827 1.00 0.00 C ATOM 0 H ALA A 119 8.097 -0.474 -0.527 1.00 0.00 H new ATOM 0 HA ALA A 119 10.834 -0.486 -1.430 1.00 0.00 H new ATOM 0 HB1 ALA A 119 10.126 -2.538 -2.573 1.00 0.00 H new ATOM 0 HB2 ALA A 119 9.653 -2.543 -0.858 1.00 0.00 H new ATOM 0 HB3 ALA A 119 8.438 -2.210 -2.115 1.00 0.00 H new ATOM 1827 N ALA A 120 8.510 0.796 -3.230 1.00 0.00 N ATOM 1828 CA ALA A 120 8.207 1.503 -4.454 1.00 0.00 C ATOM 1829 C ALA A 120 8.955 2.817 -4.489 1.00 0.00 C ATOM 1830 O ALA A 120 9.606 3.151 -5.475 1.00 0.00 O ATOM 1831 CB ALA A 120 6.717 1.740 -4.580 1.00 0.00 C ATOM 0 H ALA A 120 7.804 0.899 -2.501 1.00 0.00 H new ATOM 0 HA ALA A 120 8.526 0.892 -5.298 1.00 0.00 H new ATOM 0 HB1 ALA A 120 6.511 2.273 -5.508 1.00 0.00 H new ATOM 0 HB2 ALA A 120 6.196 0.783 -4.588 1.00 0.00 H new ATOM 0 HB3 ALA A 120 6.370 2.335 -3.735 1.00 0.00 H new ATOM 1837 N LEU A 121 8.876 3.553 -3.390 1.00 0.00 N ATOM 1838 CA LEU A 121 9.571 4.816 -3.292 1.00 0.00 C ATOM 1839 C LEU A 121 11.075 4.552 -3.241 1.00 0.00 C ATOM 1840 O LEU A 121 11.879 5.368 -3.687 1.00 0.00 O ATOM 1841 CB LEU A 121 9.100 5.604 -2.063 1.00 0.00 C ATOM 1842 CG LEU A 121 10.174 6.013 -1.053 1.00 0.00 C ATOM 1843 CD1 LEU A 121 9.906 7.413 -0.521 1.00 0.00 C ATOM 1844 CD2 LEU A 121 10.207 5.011 0.075 1.00 0.00 C ATOM 0 H LEU A 121 8.340 3.295 -2.562 1.00 0.00 H new ATOM 0 HA LEU A 121 9.347 5.425 -4.168 1.00 0.00 H new ATOM 0 HB2 LEU A 121 8.599 6.507 -2.410 1.00 0.00 H new ATOM 0 HB3 LEU A 121 8.353 5.005 -1.541 1.00 0.00 H new ATOM 0 HG LEU A 121 11.145 6.026 -1.548 1.00 0.00 H new ATOM 0 HD11 LEU A 121 10.681 7.684 0.196 1.00 0.00 H new ATOM 0 HD12 LEU A 121 9.911 8.123 -1.348 1.00 0.00 H new ATOM 0 HD13 LEU A 121 8.933 7.435 -0.029 1.00 0.00 H new ATOM 0 HD21 LEU A 121 10.972 5.300 0.796 1.00 0.00 H new ATOM 0 HD22 LEU A 121 9.235 4.985 0.567 1.00 0.00 H new ATOM 0 HD23 LEU A 121 10.438 4.023 -0.323 1.00 0.00 H new ATOM 1856 N ARG A 122 11.440 3.399 -2.674 1.00 0.00 N ATOM 1857 CA ARG A 122 12.838 3.006 -2.537 1.00 0.00 C ATOM 1858 C ARG A 122 13.452 2.565 -3.872 1.00 0.00 C ATOM 1859 O ARG A 122 14.541 3.010 -4.234 1.00 0.00 O ATOM 1860 CB ARG A 122 12.945 1.876 -1.502 1.00 0.00 C ATOM 1861 CG ARG A 122 14.148 0.960 -1.683 1.00 0.00 C ATOM 1862 CD ARG A 122 14.127 -0.188 -0.686 1.00 0.00 C ATOM 1863 NE ARG A 122 15.217 -0.091 0.282 1.00 0.00 N ATOM 1864 CZ ARG A 122 15.167 -0.595 1.514 1.00 0.00 C ATOM 1865 NH1 ARG A 122 14.085 -1.240 1.934 1.00 0.00 N ATOM 1866 NH2 ARG A 122 16.204 -0.454 2.328 1.00 0.00 N ATOM 0 H ARG A 122 10.778 2.719 -2.301 1.00 0.00 H new ATOM 0 HA ARG A 122 13.402 3.876 -2.202 1.00 0.00 H new ATOM 0 HB2 ARG A 122 12.987 2.317 -0.506 1.00 0.00 H new ATOM 0 HB3 ARG A 122 12.037 1.274 -1.546 1.00 0.00 H new ATOM 0 HG2 ARG A 122 14.155 0.562 -2.698 1.00 0.00 H new ATOM 0 HG3 ARG A 122 15.066 1.534 -1.560 1.00 0.00 H new ATOM 0 HD2 ARG A 122 13.173 -0.193 -0.159 1.00 0.00 H new ATOM 0 HD3 ARG A 122 14.200 -1.135 -1.221 1.00 0.00 H new ATOM 0 HE ARG A 122 16.069 0.392 -0.003 1.00 0.00 H new ATOM 0 HH11 ARG A 122 13.285 -1.352 1.312 1.00 0.00 H new ATOM 0 HH12 ARG A 122 14.054 -1.623 2.879 1.00 0.00 H new ATOM 0 HH21 ARG A 122 17.038 0.040 2.010 1.00 0.00 H new ATOM 0 HH22 ARG A 122 16.168 -0.839 3.272 1.00 0.00 H new ATOM 1880 N GLN A 123 12.775 1.661 -4.578 1.00 0.00 N ATOM 1881 CA GLN A 123 13.297 1.139 -5.843 1.00 0.00 C ATOM 1882 C GLN A 123 12.761 1.880 -7.070 1.00 0.00 C ATOM 1883 O GLN A 123 13.454 1.983 -8.082 1.00 0.00 O ATOM 1884 CB GLN A 123 12.976 -0.353 -5.962 1.00 0.00 C ATOM 1885 CG GLN A 123 14.212 -1.235 -6.044 1.00 0.00 C ATOM 1886 CD GLN A 123 14.513 -1.690 -7.459 1.00 0.00 C ATOM 1887 OE1 GLN A 123 15.477 -1.237 -8.077 1.00 0.00 O ATOM 1888 NE2 GLN A 123 13.688 -2.590 -7.981 1.00 0.00 N ATOM 0 H GLN A 123 11.872 1.277 -4.300 1.00 0.00 H new ATOM 0 HA GLN A 123 14.375 1.297 -5.824 1.00 0.00 H new ATOM 0 HB2 GLN A 123 12.378 -0.658 -5.103 1.00 0.00 H new ATOM 0 HB3 GLN A 123 12.364 -0.515 -6.849 1.00 0.00 H new ATOM 0 HG2 GLN A 123 15.070 -0.689 -5.652 1.00 0.00 H new ATOM 0 HG3 GLN A 123 14.073 -2.109 -5.408 1.00 0.00 H new ATOM 0 HE21 GLN A 123 12.901 -2.939 -7.434 1.00 0.00 H new ATOM 0 HE22 GLN A 123 13.841 -2.933 -8.929 1.00 0.00 H new ATOM 1897 N GLU A 124 11.530 2.373 -6.999 1.00 0.00 N ATOM 1898 CA GLU A 124 10.934 3.071 -8.138 1.00 0.00 C ATOM 1899 C GLU A 124 11.175 4.573 -8.077 1.00 0.00 C ATOM 1900 O GLU A 124 11.855 5.138 -8.933 1.00 0.00 O ATOM 1901 CB GLU A 124 9.427 2.817 -8.208 1.00 0.00 C ATOM 1902 CG GLU A 124 9.011 1.408 -7.808 1.00 0.00 C ATOM 1903 CD GLU A 124 9.232 0.398 -8.917 1.00 0.00 C ATOM 1904 OE1 GLU A 124 8.732 0.627 -10.038 1.00 0.00 O ATOM 1905 OE2 GLU A 124 9.906 -0.624 -8.664 1.00 0.00 O ATOM 0 H GLU A 124 10.930 2.305 -6.177 1.00 0.00 H new ATOM 0 HA GLU A 124 11.418 2.675 -9.030 1.00 0.00 H new ATOM 0 HB2 GLU A 124 8.919 3.531 -7.560 1.00 0.00 H new ATOM 0 HB3 GLU A 124 9.084 3.010 -9.225 1.00 0.00 H new ATOM 0 HG2 GLU A 124 9.575 1.103 -6.926 1.00 0.00 H new ATOM 0 HG3 GLU A 124 7.958 1.410 -7.528 1.00 0.00 H new ATOM 1912 N SER A 125 10.594 5.218 -7.074 1.00 0.00 N ATOM 1913 CA SER A 125 10.727 6.658 -6.920 1.00 0.00 C ATOM 1914 C SER A 125 12.182 7.071 -6.740 1.00 0.00 C ATOM 1915 O SER A 125 12.706 7.861 -7.521 1.00 0.00 O ATOM 1916 CB SER A 125 9.892 7.151 -5.738 1.00 0.00 C ATOM 1917 OG SER A 125 9.606 8.534 -5.856 1.00 0.00 O ATOM 0 H SER A 125 10.027 4.766 -6.356 1.00 0.00 H new ATOM 0 HA SER A 125 10.357 7.120 -7.835 1.00 0.00 H new ATOM 0 HB2 SER A 125 8.961 6.587 -5.687 1.00 0.00 H new ATOM 0 HB3 SER A 125 10.429 6.966 -4.807 1.00 0.00 H new ATOM 0 HG SER A 125 8.635 8.666 -5.889 1.00 0.00 H new ATOM 1923 N GLY A 126 12.831 6.551 -5.702 1.00 0.00 N ATOM 1924 CA GLY A 126 14.217 6.911 -5.448 1.00 0.00 C ATOM 1925 C GLY A 126 14.396 8.393 -5.368 1.00 0.00 C ATOM 1926 O GLY A 126 15.274 8.955 -6.023 1.00 0.00 O ATOM 0 H GLY A 126 12.427 5.892 -5.037 1.00 0.00 H new ATOM 0 HA2 GLY A 126 14.547 6.453 -4.515 1.00 0.00 H new ATOM 0 HA3 GLY A 126 14.849 6.510 -6.241 1.00 0.00 H new ATOM 1930 N ALA A 127 13.525 9.045 -4.594 1.00 0.00 N ATOM 1931 CA ALA A 127 13.566 10.492 -4.482 1.00 0.00 C ATOM 1932 C ALA A 127 13.707 11.067 -5.880 1.00 0.00 C ATOM 1933 O ALA A 127 14.258 12.150 -6.079 1.00 0.00 O ATOM 1934 CB ALA A 127 14.717 10.933 -3.591 1.00 0.00 C ATOM 0 H ALA A 127 12.794 8.594 -4.044 1.00 0.00 H new ATOM 0 HA ALA A 127 12.648 10.858 -4.022 1.00 0.00 H new ATOM 0 HB1 ALA A 127 14.728 12.021 -3.522 1.00 0.00 H new ATOM 0 HB2 ALA A 127 14.590 10.508 -2.596 1.00 0.00 H new ATOM 0 HB3 ALA A 127 15.659 10.587 -4.016 1.00 0.00 H new ATOM 1940 N ARG A 128 13.225 10.290 -6.856 1.00 0.00 N ATOM 1941 CA ARG A 128 13.312 10.666 -8.242 1.00 0.00 C ATOM 1942 C ARG A 128 11.927 10.898 -8.839 1.00 0.00 C ATOM 1943 O ARG A 128 11.620 11.992 -9.313 1.00 0.00 O ATOM 1944 CB ARG A 128 14.058 9.597 -9.044 1.00 0.00 C ATOM 1945 CG ARG A 128 15.167 10.159 -9.914 1.00 0.00 C ATOM 1946 CD ARG A 128 14.625 10.674 -11.235 1.00 0.00 C ATOM 1947 NE ARG A 128 13.842 11.897 -11.066 1.00 0.00 N ATOM 1948 CZ ARG A 128 13.042 12.401 -12.003 1.00 0.00 C ATOM 1949 NH1 ARG A 128 12.921 11.795 -13.178 1.00 0.00 N ATOM 1950 NH2 ARG A 128 12.361 13.513 -11.765 1.00 0.00 N ATOM 0 H ARG A 128 12.770 9.392 -6.693 1.00 0.00 H new ATOM 0 HA ARG A 128 13.869 11.601 -8.298 1.00 0.00 H new ATOM 0 HB2 ARG A 128 14.482 8.867 -8.355 1.00 0.00 H new ATOM 0 HB3 ARG A 128 13.346 9.064 -9.675 1.00 0.00 H new ATOM 0 HG2 ARG A 128 15.672 10.968 -9.386 1.00 0.00 H new ATOM 0 HG3 ARG A 128 15.912 9.386 -10.101 1.00 0.00 H new ATOM 0 HD2 ARG A 128 15.454 10.865 -11.917 1.00 0.00 H new ATOM 0 HD3 ARG A 128 14.003 9.906 -11.696 1.00 0.00 H new ATOM 0 HE ARG A 128 13.913 12.393 -10.178 1.00 0.00 H new ATOM 0 HH11 ARG A 128 13.442 10.939 -13.366 1.00 0.00 H new ATOM 0 HH12 ARG A 128 12.307 12.186 -13.892 1.00 0.00 H new ATOM 0 HH21 ARG A 128 12.450 13.983 -10.864 1.00 0.00 H new ATOM 0 HH22 ARG A 128 11.748 13.899 -12.483 1.00 0.00 H new ATOM 1964 N GLY A 129 11.093 9.856 -8.819 1.00 0.00 N ATOM 1965 CA GLY A 129 9.754 9.970 -9.366 1.00 0.00 C ATOM 1966 C GLY A 129 8.754 10.510 -8.361 1.00 0.00 C ATOM 1967 O GLY A 129 7.702 9.910 -8.140 1.00 0.00 O ATOM 0 H GLY A 129 11.323 8.940 -8.434 1.00 0.00 H new ATOM 0 HA2 GLY A 129 9.777 10.625 -10.237 1.00 0.00 H new ATOM 0 HA3 GLY A 129 9.423 8.991 -9.712 1.00 0.00 H new ATOM 1971 N SER A 130 9.082 11.645 -7.753 1.00 0.00 N ATOM 1972 CA SER A 130 8.204 12.266 -6.769 1.00 0.00 C ATOM 1973 C SER A 130 7.128 13.102 -7.452 1.00 0.00 C ATOM 1974 O SER A 130 6.008 12.583 -7.643 1.00 0.00 O ATOM 1975 CB SER A 130 9.014 13.140 -5.810 1.00 0.00 C ATOM 1976 OG SER A 130 9.886 14.003 -6.519 1.00 0.00 O ATOM 0 H SER A 130 9.950 12.153 -7.925 1.00 0.00 H new ATOM 0 HA SER A 130 7.717 11.473 -6.202 1.00 0.00 H new ATOM 0 HB2 SER A 130 8.338 13.730 -5.191 1.00 0.00 H new ATOM 0 HB3 SER A 130 9.592 12.507 -5.137 1.00 0.00 H new ATOM 0 HG SER A 130 10.391 14.552 -5.883 1.00 0.00 H new TER 1982 SER A 130 HETATM 1983 C ACE B 201 -5.531 13.058 -9.262 1.00 0.00 C HETATM 1984 O ACE B 201 -4.947 12.539 -8.310 1.00 0.00 O HETATM 1985 CH3 ACE B 201 -5.314 12.549 -10.683 1.00 0.00 C HETATM 0 H1 ACE B 201 -6.264 12.210 -11.097 1.00 0.00 H new HETATM 0 H2 ACE B 201 -4.915 13.354 -11.301 1.00 0.00 H new HETATM 0 H3 ACE B 201 -4.608 11.719 -10.668 1.00 0.00 H new ATOM 1989 N ASP B 202 -6.373 14.078 -9.122 1.00 0.00 N ATOM 1990 CA ASP B 202 -6.118 15.154 -8.171 1.00 0.00 C ATOM 1991 C ASP B 202 -7.095 15.087 -6.997 1.00 0.00 C ATOM 1992 O ASP B 202 -6.781 14.516 -5.955 1.00 0.00 O ATOM 1993 CB ASP B 202 -6.215 16.514 -8.867 1.00 0.00 C ATOM 1994 CG ASP B 202 -5.057 16.763 -9.813 1.00 0.00 C ATOM 1995 OD1 ASP B 202 -3.968 17.140 -9.332 1.00 0.00 O ATOM 1996 OD2 ASP B 202 -5.238 16.581 -11.036 1.00 0.00 O ATOM 0 H ASP B 202 -7.237 14.181 -9.655 1.00 0.00 H new ATOM 0 HA ASP B 202 -5.108 15.031 -7.781 1.00 0.00 H new ATOM 0 HB2 ASP B 202 -7.152 16.569 -9.421 1.00 0.00 H new ATOM 0 HB3 ASP B 202 -6.242 17.303 -8.115 1.00 0.00 H new ATOM 2001 N GLU B 203 -8.279 15.670 -7.173 1.00 0.00 N ATOM 2002 CA GLU B 203 -9.297 15.673 -6.126 1.00 0.00 C ATOM 2003 C GLU B 203 -8.821 16.451 -4.901 1.00 0.00 C ATOM 2004 O GLU B 203 -9.285 17.562 -4.643 1.00 0.00 O ATOM 2005 CB GLU B 203 -9.664 14.240 -5.731 1.00 0.00 C ATOM 2006 CG GLU B 203 -11.138 14.058 -5.406 1.00 0.00 C ATOM 2007 CD GLU B 203 -11.709 12.779 -5.986 1.00 0.00 C ATOM 2008 OE1 GLU B 203 -11.467 11.702 -5.401 1.00 0.00 O ATOM 2009 OE2 GLU B 203 -12.397 12.854 -7.026 1.00 0.00 O ATOM 0 H GLU B 203 -8.557 16.146 -8.031 1.00 0.00 H new ATOM 0 HA GLU B 203 -10.184 16.167 -6.522 1.00 0.00 H new ATOM 0 HB2 GLU B 203 -9.394 13.567 -6.545 1.00 0.00 H new ATOM 0 HB3 GLU B 203 -9.070 13.947 -4.865 1.00 0.00 H new ATOM 0 HG2 GLU B 203 -11.270 14.052 -4.324 1.00 0.00 H new ATOM 0 HG3 GLU B 203 -11.699 14.909 -5.791 1.00 0.00 H new HETATM 2016 N PTR B 204 -7.892 15.865 -4.153 1.00 0.00 N HETATM 2017 CA PTR B 204 -7.352 16.507 -2.961 1.00 0.00 C HETATM 2018 C PTR B 204 -6.149 17.376 -3.320 1.00 0.00 C HETATM 2019 O PTR B 204 -5.237 16.932 -4.017 1.00 0.00 O HETATM 2020 CB PTR B 204 -6.953 15.444 -1.931 1.00 0.00 C HETATM 2021 CG PTR B 204 -8.098 14.539 -1.521 1.00 0.00 C HETATM 2022 CD1 PTR B 204 -9.383 15.047 -1.361 1.00 0.00 C HETATM 2023 CD2 PTR B 204 -7.899 13.180 -1.292 1.00 0.00 C HETATM 2024 CE1 PTR B 204 -10.433 14.230 -0.988 1.00 0.00 C HETATM 2025 CE2 PTR B 204 -8.947 12.359 -0.918 1.00 0.00 C HETATM 2026 CZ PTR B 204 -10.210 12.888 -0.768 1.00 0.00 C HETATM 2027 OH PTR B 204 -11.254 12.072 -0.396 1.00 0.00 O HETATM 2028 P PTR B 204 -11.774 12.168 1.072 1.00 0.00 P HETATM 2029 O1P PTR B 204 -13.254 11.711 0.995 1.00 0.00 O HETATM 2030 O2P PTR B 204 -11.729 13.681 1.407 1.00 0.00 O HETATM 2031 O3P PTR B 204 -10.965 11.341 2.026 1.00 0.00 O HETATM 0 HE2 PTR B 204 -8.774 11.297 -0.743 1.00 0.00 H new HETATM 0 HE1 PTR B 204 -11.434 14.645 -0.868 1.00 0.00 H new HETATM 0 HD2 PTR B 204 -6.901 12.757 -1.409 1.00 0.00 H new HETATM 0 HD1 PTR B 204 -9.565 16.108 -1.533 1.00 0.00 H new HETATM 0 HB3 PTR B 204 -6.148 14.835 -2.343 1.00 0.00 H new HETATM 0 HB2 PTR B 204 -6.556 15.939 -1.045 1.00 0.00 H new HETATM 0 HA PTR B 204 -8.121 17.148 -2.529 1.00 0.00 H new ATOM 2040 N ASP B 205 -6.166 18.623 -2.852 1.00 0.00 N ATOM 2041 CA ASP B 205 -5.087 19.573 -3.132 1.00 0.00 C ATOM 2042 C ASP B 205 -3.706 18.927 -2.987 1.00 0.00 C ATOM 2043 O ASP B 205 -3.151 18.417 -3.960 1.00 0.00 O ATOM 2044 CB ASP B 205 -5.196 20.806 -2.223 1.00 0.00 C ATOM 2045 CG ASP B 205 -5.781 20.490 -0.858 1.00 0.00 C ATOM 2046 OD1 ASP B 205 -7.019 20.357 -0.760 1.00 0.00 O ATOM 2047 OD2 ASP B 205 -5.001 20.375 0.110 1.00 0.00 O ATOM 0 H ASP B 205 -6.917 19.001 -2.275 1.00 0.00 H new ATOM 0 HA ASP B 205 -5.198 19.889 -4.169 1.00 0.00 H new ATOM 0 HB2 ASP B 205 -4.206 21.244 -2.095 1.00 0.00 H new ATOM 0 HB3 ASP B 205 -5.816 21.557 -2.712 1.00 0.00 H new ATOM 2052 N ASP B 206 -3.152 18.953 -1.778 1.00 0.00 N ATOM 2053 CA ASP B 206 -1.838 18.372 -1.530 1.00 0.00 C ATOM 2054 C ASP B 206 -1.950 17.122 -0.662 1.00 0.00 C ATOM 2055 O ASP B 206 -2.924 16.950 0.071 1.00 0.00 O ATOM 2056 CB ASP B 206 -0.923 19.397 -0.856 1.00 0.00 C ATOM 2057 CG ASP B 206 0.119 19.953 -1.806 1.00 0.00 C ATOM 2058 OD1 ASP B 206 -0.240 20.279 -2.957 1.00 0.00 O ATOM 2059 OD2 ASP B 206 1.295 20.062 -1.399 1.00 0.00 O ATOM 0 H ASP B 206 -3.592 19.369 -0.957 1.00 0.00 H new ATOM 0 HA ASP B 206 -1.407 18.087 -2.490 1.00 0.00 H new ATOM 0 HB2 ASP B 206 -1.526 20.215 -0.463 1.00 0.00 H new ATOM 0 HB3 ASP B 206 -0.424 18.932 -0.006 1.00 0.00 H new ATOM 2064 N PRO B 207 -0.949 16.229 -0.734 1.00 0.00 N ATOM 2065 CA PRO B 207 -0.935 14.990 0.049 1.00 0.00 C ATOM 2066 C PRO B 207 -1.040 15.252 1.547 1.00 0.00 C ATOM 2067 O PRO B 207 -1.173 16.398 1.979 1.00 0.00 O ATOM 2068 CB PRO B 207 0.422 14.356 -0.294 1.00 0.00 C ATOM 2069 CG PRO B 207 1.232 15.464 -0.874 1.00 0.00 C ATOM 2070 CD PRO B 207 0.250 16.350 -1.578 1.00 0.00 C ATOM 0 HA PRO B 207 -1.785 14.351 -0.189 1.00 0.00 H new ATOM 0 HB2 PRO B 207 0.899 13.942 0.594 1.00 0.00 H new ATOM 0 HB3 PRO B 207 0.307 13.538 -1.005 1.00 0.00 H new ATOM 0 HG2 PRO B 207 1.765 16.010 -0.096 1.00 0.00 H new ATOM 0 HG3 PRO B 207 1.982 15.081 -1.566 1.00 0.00 H new ATOM 0 HD2 PRO B 207 0.602 17.380 -1.637 1.00 0.00 H new ATOM 0 HD3 PRO B 207 0.063 16.018 -2.599 1.00 0.00 H new ATOM 2078 N PHE B 208 -0.979 14.184 2.335 1.00 0.00 N ATOM 2079 CA PHE B 208 -1.067 14.297 3.783 1.00 0.00 C ATOM 2080 C PHE B 208 -2.402 14.905 4.202 1.00 0.00 C ATOM 2081 O PHE B 208 -3.033 15.633 3.436 1.00 0.00 O ATOM 2082 CB PHE B 208 0.085 15.147 4.316 1.00 0.00 C ATOM 2083 CG PHE B 208 1.438 14.533 4.096 1.00 0.00 C ATOM 2084 CD1 PHE B 208 2.061 14.609 2.857 1.00 0.00 C ATOM 2085 CD2 PHE B 208 2.093 13.885 5.132 1.00 0.00 C ATOM 2086 CE1 PHE B 208 3.309 14.051 2.661 1.00 0.00 C ATOM 2087 CE2 PHE B 208 3.342 13.329 4.939 1.00 0.00 C ATOM 2088 CZ PHE B 208 3.950 13.413 3.703 1.00 0.00 C ATOM 0 H PHE B 208 -0.869 13.229 1.993 1.00 0.00 H new ATOM 0 HA PHE B 208 -0.998 13.295 4.207 1.00 0.00 H new ATOM 0 HB2 PHE B 208 0.057 16.125 3.835 1.00 0.00 H new ATOM 0 HB3 PHE B 208 -0.060 15.312 5.384 1.00 0.00 H new ATOM 0 HD1 PHE B 208 1.565 15.109 2.039 1.00 0.00 H new ATOM 0 HD2 PHE B 208 1.621 13.814 6.101 1.00 0.00 H new ATOM 0 HE1 PHE B 208 3.783 14.114 1.693 1.00 0.00 H new ATOM 0 HE2 PHE B 208 3.843 12.829 5.755 1.00 0.00 H new ATOM 0 HZ PHE B 208 4.927 12.979 3.551 1.00 0.00 H new HETATM 2098 N NH2 B 209 -2.832 14.606 5.422 1.00 0.00 N TER 2101 NH2 B 209