USER MOD reduce.3.24.130724 H: found=0, std=0, add=1002, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 997 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 84 GLN :FLIP amide:sc= -0.941! C(o=-11!,f=-2.6!) USER MOD Set 1.2: A 86 TYR OH : rot 33:sc= -1.63! USER MOD Set 2.1: A 71 ASN :FLIP amide:sc= -2.89! C(o=-11!,f=-8.6!) USER MOD Set 2.2: A 74 HIS : no HD1:sc= -5.73! C(o=-8.6!,f=-12!) USER MOD Set 3.1: A 36 GLN : amide:sc= -9.46! C(o=-11!,f=-19!) USER MOD Set 3.2: A 91 THR OG1 : rot 180:sc= -1.54! USER MOD Set 4.1: A 1 SER OG : rot 180:sc= 0 USER MOD Set 4.2: A 2 GLN : amide:sc= -9! C(o=-9!,f=-8.6!) USER MOD Single : A 1 SER N :NH3+ -111:sc= 0.11 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 ASN :FLIP amide:sc= -1.65! C(o=-3.1!,f=-1.7!) USER MOD Single : A 11 HIS : no HD1:sc= -1.22! C(o=-1.2!,f=-1.1!) USER MOD Single : A 14 LYS NZ :NH3+ 137:sc= -0.775 (180deg=-3.19!) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 HIS : no HE2:sc= -5.38! C(o=-5.4!,f=-7.8!) USER MOD Single : A 24 SER OG : rot 180:sc= 0.0788 USER MOD Single : A 30 HIS : no HD1:sc= -3.76! C(o=-3.8!,f=-6.8!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN :FLIP amide:sc= -0.192 F(o=-2.3,f=-0.19) USER MOD Single : A 45 GLN : amide:sc= -0.0156 X(o=-0.016,f=0.044) USER MOD Single : A 46 ASN : amide:sc= -0.164 K(o=-0.16,f=-1.9!) USER MOD Single : A 47 THR OG1 : rot 180:sc= -2.74! USER MOD Single : A 48 LYS NZ :NH3+ -105:sc=-0.00257 (180deg=-0.17) USER MOD Single : A 49 THR OG1 : rot 180:sc= -0.243 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 SER OG : rot 6:sc= -1.4! USER MOD Single : A 75 TYR OH : rot 87:sc= -3.39! USER MOD Single : A 76 MET CE :methyl 172:sc= -1.5 (180deg=-1.83) USER MOD Single : A 77 LYS NZ :NH3+ -160:sc= -0.547 (180deg=-2.52!) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 GLN :FLIP amide:sc= -0.0849 F(o=-1.2,f=-0.085) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 TYR OH : rot 150:sc= -0.852 USER MOD Single : A 93 ASN : amide:sc= -0.478 X(o=-0.48,f=-0.27) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ -149:sc= 1.01 (180deg=0.605) USER MOD Single : A 101 SER OG : rot 52:sc= -0.0283 USER MOD Single : A 103 ASN :FLIP amide:sc= -0.597 F(o=-2.3,f=-0.6) USER MOD Single : A 107 THR OG1 : rot 180:sc= -1.16 USER MOD Single : A 109 LYS NZ :NH3+ 177:sc= -0.292 (180deg=-0.309) USER MOD Single : A 111 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 123 THR OG1 : rot 180:sc= 0.116 USER MOD Single : A 124 HIS : no HE2:sc= -7.19! C(o=-7.2!,f=-12!) USER MOD Single : A 126 LYS NZ :NH3+ -125:sc= -0.299 (180deg=-1.19) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -4.300 14.796 8.571 1.00 0.00 N ATOM 2 CA SER A 1 -3.491 14.041 7.570 1.00 0.00 C ATOM 3 C SER A 1 -3.257 12.608 8.054 1.00 0.00 C ATOM 4 O SER A 1 -3.581 12.262 9.174 1.00 0.00 O ATOM 5 CB SER A 1 -2.168 14.800 7.476 1.00 0.00 C ATOM 6 OG SER A 1 -1.480 14.401 6.298 1.00 0.00 O ATOM 0 H1 SER A 1 -5.244 14.990 8.180 1.00 0.00 H new ATOM 0 H2 SER A 1 -4.394 14.231 9.439 1.00 0.00 H new ATOM 0 H3 SER A 1 -3.826 15.695 8.793 1.00 0.00 H new ATOM 0 HA SER A 1 -3.989 13.972 6.603 1.00 0.00 H new ATOM 0 HB2 SER A 1 -2.352 15.874 7.457 1.00 0.00 H new ATOM 0 HB3 SER A 1 -1.556 14.597 8.355 1.00 0.00 H new ATOM 0 HG SER A 1 -0.632 14.887 6.234 1.00 0.00 H new ATOM 14 N GLN A 2 -2.696 11.773 7.223 1.00 0.00 N ATOM 15 CA GLN A 2 -2.444 10.367 7.643 1.00 0.00 C ATOM 16 C GLN A 2 -3.748 9.673 8.044 1.00 0.00 C ATOM 17 O GLN A 2 -4.758 10.320 8.234 1.00 0.00 O ATOM 18 CB GLN A 2 -1.523 10.479 8.808 1.00 0.00 C ATOM 19 CG GLN A 2 -0.148 10.387 8.289 1.00 0.00 C ATOM 20 CD GLN A 2 0.290 11.729 7.700 1.00 0.00 C ATOM 21 OE1 GLN A 2 0.160 12.755 8.340 1.00 0.00 O ATOM 22 NE2 GLN A 2 0.810 11.775 6.497 1.00 0.00 N ATOM 0 H GLN A 2 -2.402 12.003 6.274 1.00 0.00 H new ATOM 0 HA GLN A 2 -2.018 9.769 6.837 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -1.675 11.425 9.329 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -1.716 9.684 9.528 1.00 0.00 H new ATOM 0 HG2 GLN A 2 0.531 10.095 9.090 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -0.092 9.612 7.525 1.00 0.00 H new ATOM 0 HE21 GLN A 2 0.921 10.917 5.956 1.00 0.00 H new ATOM 0 HE22 GLN A 2 1.103 12.668 6.102 1.00 0.00 H new ATOM 31 N VAL A 3 -3.759 8.366 8.162 1.00 0.00 N ATOM 32 CA VAL A 3 -5.010 7.689 8.528 1.00 0.00 C ATOM 33 C VAL A 3 -4.680 6.474 9.398 1.00 0.00 C ATOM 34 O VAL A 3 -3.530 6.118 9.558 1.00 0.00 O ATOM 35 CB VAL A 3 -5.577 7.199 7.189 1.00 0.00 C ATOM 36 CG1 VAL A 3 -5.293 8.209 6.070 1.00 0.00 C ATOM 37 CG2 VAL A 3 -4.998 5.818 6.814 1.00 0.00 C ATOM 0 H VAL A 3 -2.954 7.756 8.019 1.00 0.00 H new ATOM 0 HA VAL A 3 -5.699 8.333 9.074 1.00 0.00 H new ATOM 0 HB VAL A 3 -6.657 7.102 7.305 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -5.705 7.838 5.132 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -5.755 9.165 6.317 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -4.216 8.343 5.966 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -5.417 5.495 5.861 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -3.914 5.889 6.729 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -5.254 5.094 7.587 1.00 0.00 H new ATOM 47 N ASP A 4 -5.666 5.797 9.910 1.00 0.00 N ATOM 48 CA ASP A 4 -5.367 4.590 10.686 1.00 0.00 C ATOM 49 C ASP A 4 -5.151 3.460 9.759 1.00 0.00 C ATOM 50 O ASP A 4 -5.590 3.444 8.627 1.00 0.00 O ATOM 51 CB ASP A 4 -6.498 4.396 11.715 1.00 0.00 C ATOM 52 CG ASP A 4 -7.141 3.010 11.570 1.00 0.00 C ATOM 53 OD1 ASP A 4 -7.798 2.784 10.567 1.00 0.00 O ATOM 54 OD2 ASP A 4 -6.966 2.202 12.467 1.00 0.00 O ATOM 0 H ASP A 4 -6.654 6.033 9.820 1.00 0.00 H new ATOM 0 HA ASP A 4 -4.442 4.669 11.258 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -6.101 4.513 12.723 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -7.255 5.168 11.579 1.00 0.00 H new ATOM 59 N VAL A 5 -4.307 2.597 10.188 1.00 0.00 N ATOM 60 CA VAL A 5 -3.864 1.559 9.292 1.00 0.00 C ATOM 61 C VAL A 5 -3.188 0.437 10.097 1.00 0.00 C ATOM 62 O VAL A 5 -3.289 0.408 11.306 1.00 0.00 O ATOM 63 CB VAL A 5 -2.934 2.433 8.489 1.00 0.00 C ATOM 64 CG1 VAL A 5 -1.475 2.201 8.898 1.00 0.00 C ATOM 65 CG2 VAL A 5 -3.130 2.153 6.999 1.00 0.00 C ATOM 0 H VAL A 5 -3.909 2.574 11.127 1.00 0.00 H new ATOM 0 HA VAL A 5 -4.591 1.006 8.697 1.00 0.00 H new ATOM 0 HB VAL A 5 -3.170 3.478 8.689 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -0.824 2.843 8.304 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -1.351 2.437 9.955 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -1.210 1.158 8.726 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -2.458 2.785 6.419 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -2.911 1.105 6.794 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -4.162 2.369 6.721 1.00 0.00 H new ATOM 75 N LYS A 6 -2.509 -0.483 9.470 1.00 0.00 N ATOM 76 CA LYS A 6 -1.863 -1.570 10.270 1.00 0.00 C ATOM 77 C LYS A 6 -0.705 -2.202 9.574 1.00 0.00 C ATOM 78 O LYS A 6 -0.640 -2.363 8.380 1.00 0.00 O ATOM 79 CB LYS A 6 -2.924 -2.607 10.514 1.00 0.00 C ATOM 80 CG LYS A 6 -3.756 -2.229 11.739 1.00 0.00 C ATOM 81 CD LYS A 6 -3.877 -3.444 12.662 1.00 0.00 C ATOM 82 CE LYS A 6 -4.087 -2.973 14.103 1.00 0.00 C ATOM 83 NZ LYS A 6 -3.368 -3.971 14.943 1.00 0.00 N ATOM 0 H LYS A 6 -2.373 -0.534 8.460 1.00 0.00 H new ATOM 0 HA LYS A 6 -1.466 -1.145 11.192 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -3.569 -2.692 9.639 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -2.462 -3.583 10.665 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -3.288 -1.400 12.269 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -4.746 -1.892 11.431 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -4.712 -4.071 12.348 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -2.977 -4.055 12.596 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -3.687 -1.970 14.253 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -5.147 -2.935 14.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -3.466 -3.715 15.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -3.774 -4.915 14.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -2.360 -3.980 14.685 1.00 0.00 H new ATOM 97 N ASP A 7 0.199 -2.568 10.380 1.00 0.00 N ATOM 98 CA ASP A 7 1.431 -3.236 9.923 1.00 0.00 C ATOM 99 C ASP A 7 1.192 -4.747 9.814 1.00 0.00 C ATOM 100 O ASP A 7 0.431 -5.315 10.573 1.00 0.00 O ATOM 101 CB ASP A 7 2.370 -2.912 11.050 1.00 0.00 C ATOM 102 CG ASP A 7 3.614 -3.799 10.978 1.00 0.00 C ATOM 103 OD1 ASP A 7 4.391 -3.621 10.055 1.00 0.00 O ATOM 104 OD2 ASP A 7 3.767 -4.643 11.847 1.00 0.00 O ATOM 0 H ASP A 7 0.147 -2.432 11.390 1.00 0.00 H new ATOM 0 HA ASP A 7 1.794 -2.923 8.944 1.00 0.00 H new ATOM 0 HB2 ASP A 7 2.660 -1.863 11.000 1.00 0.00 H new ATOM 0 HB3 ASP A 7 1.866 -3.058 12.005 1.00 0.00 H new ATOM 109 N CYS A 8 1.834 -5.407 8.893 1.00 0.00 N ATOM 110 CA CYS A 8 1.637 -6.876 8.760 1.00 0.00 C ATOM 111 C CYS A 8 2.988 -7.541 8.542 1.00 0.00 C ATOM 112 O CYS A 8 3.077 -8.670 8.103 1.00 0.00 O ATOM 113 CB CYS A 8 0.733 -7.064 7.544 1.00 0.00 C ATOM 114 SG CYS A 8 1.321 -6.092 6.115 1.00 0.00 S ATOM 0 H CYS A 8 2.486 -4.993 8.227 1.00 0.00 H new ATOM 0 HA CYS A 8 1.190 -7.322 9.648 1.00 0.00 H new ATOM 0 HB2 CYS A 8 0.696 -8.120 7.277 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -0.284 -6.764 7.796 1.00 0.00 H new ATOM 119 N ALA A 9 4.056 -6.820 8.801 1.00 0.00 N ATOM 120 CA ALA A 9 5.408 -7.407 8.548 1.00 0.00 C ATOM 121 C ALA A 9 6.251 -7.317 9.799 1.00 0.00 C ATOM 122 O ALA A 9 6.302 -8.235 10.593 1.00 0.00 O ATOM 123 CB ALA A 9 5.993 -6.576 7.388 1.00 0.00 C ATOM 0 H ALA A 9 4.050 -5.869 9.169 1.00 0.00 H new ATOM 0 HA ALA A 9 5.373 -8.465 8.287 1.00 0.00 H new ATOM 0 HB1 ALA A 9 6.988 -6.946 7.141 1.00 0.00 H new ATOM 0 HB2 ALA A 9 5.346 -6.664 6.515 1.00 0.00 H new ATOM 0 HB3 ALA A 9 6.058 -5.530 7.687 1.00 0.00 H new ATOM 129 N ASN A 10 6.869 -6.229 10.012 1.00 0.00 N ATOM 130 CA ASN A 10 7.667 -6.094 11.264 1.00 0.00 C ATOM 131 C ASN A 10 7.909 -4.635 11.641 1.00 0.00 C ATOM 132 O ASN A 10 9.017 -4.140 11.629 1.00 0.00 O ATOM 133 CB ASN A 10 8.950 -6.886 11.074 1.00 0.00 C ATOM 134 CG ASN A 10 10.047 -6.408 12.044 1.00 0.00 C ATOM 135 OD1 ASN A 10 10.971 -5.543 11.664 1.00 0.00 O flip ATOM 136 ND2 ASN A 10 10.069 -6.832 13.183 1.00 0.00 N flip ATOM 0 H ASN A 10 6.872 -5.418 9.393 1.00 0.00 H new ATOM 0 HA ASN A 10 7.115 -6.500 12.111 1.00 0.00 H new ATOM 0 HB2 ASN A 10 8.754 -7.946 11.236 1.00 0.00 H new ATOM 0 HB3 ASN A 10 9.298 -6.780 10.046 1.00 0.00 H new ATOM 0 HD21 ASN A 10 9.363 -7.500 13.492 1.00 0.00 H new ATOM 0 HD22 ASN A 10 10.793 -6.520 13.830 1.00 0.00 H new ATOM 143 N HIS A 11 6.850 -3.949 11.984 1.00 0.00 N ATOM 144 CA HIS A 11 6.964 -2.506 12.382 1.00 0.00 C ATOM 145 C HIS A 11 8.031 -1.811 11.547 1.00 0.00 C ATOM 146 O HIS A 11 8.694 -0.893 11.986 1.00 0.00 O ATOM 147 CB HIS A 11 7.344 -2.502 13.855 1.00 0.00 C ATOM 148 CG HIS A 11 7.627 -1.093 14.301 1.00 0.00 C ATOM 149 ND1 HIS A 11 8.703 -0.778 15.115 1.00 0.00 N ATOM 150 CD2 HIS A 11 6.979 0.094 14.061 1.00 0.00 C ATOM 151 CE1 HIS A 11 8.671 0.550 15.335 1.00 0.00 C ATOM 152 NE2 HIS A 11 7.640 1.130 14.715 1.00 0.00 N ATOM 0 H HIS A 11 5.902 -4.326 12.007 1.00 0.00 H new ATOM 0 HA HIS A 11 6.030 -1.970 12.217 1.00 0.00 H new ATOM 0 HB2 HIS A 11 6.536 -2.927 14.450 1.00 0.00 H new ATOM 0 HB3 HIS A 11 8.222 -3.128 14.016 1.00 0.00 H new ATOM 0 HD2 HIS A 11 6.091 0.207 13.456 1.00 0.00 H new ATOM 0 HE1 HIS A 11 9.391 1.081 15.939 1.00 0.00 H new ATOM 0 HE2 HIS A 11 7.391 2.119 14.720 1.00 0.00 H new ATOM 160 N GLU A 12 8.198 -2.258 10.346 1.00 0.00 N ATOM 161 CA GLU A 12 9.221 -1.652 9.459 1.00 0.00 C ATOM 162 C GLU A 12 8.677 -0.419 8.741 1.00 0.00 C ATOM 163 O GLU A 12 9.201 0.007 7.731 1.00 0.00 O ATOM 164 CB GLU A 12 9.575 -2.715 8.487 1.00 0.00 C ATOM 165 CG GLU A 12 11.058 -3.047 8.583 1.00 0.00 C ATOM 166 CD GLU A 12 11.242 -4.563 8.515 1.00 0.00 C ATOM 167 OE1 GLU A 12 10.483 -5.201 7.804 1.00 0.00 O ATOM 168 OE2 GLU A 12 12.139 -5.063 9.176 1.00 0.00 O ATOM 0 H GLU A 12 7.667 -3.024 9.933 1.00 0.00 H new ATOM 0 HA GLU A 12 10.088 -1.311 10.025 1.00 0.00 H new ATOM 0 HB2 GLU A 12 8.982 -3.608 8.683 1.00 0.00 H new ATOM 0 HB3 GLU A 12 9.333 -2.388 7.476 1.00 0.00 H new ATOM 0 HG2 GLU A 12 11.603 -2.566 7.771 1.00 0.00 H new ATOM 0 HG3 GLU A 12 11.469 -2.661 9.516 1.00 0.00 H new ATOM 175 N ILE A 13 7.608 0.137 9.237 1.00 0.00 N ATOM 176 CA ILE A 13 6.999 1.316 8.574 1.00 0.00 C ATOM 177 C ILE A 13 6.910 2.497 9.539 1.00 0.00 C ATOM 178 O ILE A 13 7.439 2.477 10.633 1.00 0.00 O ATOM 179 CB ILE A 13 5.633 0.750 8.157 1.00 0.00 C ATOM 180 CG1 ILE A 13 5.623 0.533 6.640 1.00 0.00 C ATOM 181 CG2 ILE A 13 4.459 1.669 8.557 1.00 0.00 C ATOM 182 CD1 ILE A 13 4.193 0.263 6.165 1.00 0.00 C ATOM 0 H ILE A 13 7.129 -0.179 10.080 1.00 0.00 H new ATOM 0 HA ILE A 13 7.559 1.723 7.732 1.00 0.00 H new ATOM 0 HB ILE A 13 5.493 -0.194 8.684 1.00 0.00 H new ATOM 0 HG12 ILE A 13 6.024 1.412 6.135 1.00 0.00 H new ATOM 0 HG13 ILE A 13 6.267 -0.306 6.379 1.00 0.00 H new ATOM 0 HG21 ILE A 13 3.519 1.219 8.237 1.00 0.00 H new ATOM 0 HG22 ILE A 13 4.450 1.798 9.639 1.00 0.00 H new ATOM 0 HG23 ILE A 13 4.578 2.641 8.077 1.00 0.00 H new ATOM 0 HD11 ILE A 13 4.191 0.109 5.086 1.00 0.00 H new ATOM 0 HD12 ILE A 13 3.808 -0.629 6.659 1.00 0.00 H new ATOM 0 HD13 ILE A 13 3.561 1.116 6.411 1.00 0.00 H new ATOM 194 N LYS A 14 6.245 3.522 9.118 1.00 0.00 N ATOM 195 CA LYS A 14 6.096 4.734 9.960 1.00 0.00 C ATOM 196 C LYS A 14 4.936 5.598 9.450 1.00 0.00 C ATOM 197 O LYS A 14 4.105 6.011 10.235 1.00 0.00 O ATOM 198 CB LYS A 14 7.430 5.481 9.910 1.00 0.00 C ATOM 199 CG LYS A 14 8.016 5.451 8.498 1.00 0.00 C ATOM 200 CD LYS A 14 9.489 5.870 8.546 1.00 0.00 C ATOM 201 CE LYS A 14 9.604 7.392 8.408 1.00 0.00 C ATOM 202 NZ LYS A 14 9.277 7.925 9.760 1.00 0.00 N ATOM 0 H LYS A 14 5.788 3.576 8.208 1.00 0.00 H new ATOM 0 HA LYS A 14 5.857 4.475 10.991 1.00 0.00 H new ATOM 0 HB2 LYS A 14 7.286 6.514 10.227 1.00 0.00 H new ATOM 0 HB3 LYS A 14 8.132 5.028 10.610 1.00 0.00 H new ATOM 0 HG2 LYS A 14 7.925 4.450 8.077 1.00 0.00 H new ATOM 0 HG3 LYS A 14 7.457 6.123 7.847 1.00 0.00 H new ATOM 0 HD2 LYS A 14 9.938 5.547 9.485 1.00 0.00 H new ATOM 0 HD3 LYS A 14 10.041 5.381 7.744 1.00 0.00 H new ATOM 0 HE2 LYS A 14 10.607 7.686 8.099 1.00 0.00 H new ATOM 0 HE3 LYS A 14 8.914 7.774 7.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 9.944 8.684 10.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 8.308 8.303 9.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 9.350 7.161 10.461 1.00 0.00 H new ATOM 216 N LYS A 15 4.815 5.886 8.159 1.00 0.00 N ATOM 217 CA LYS A 15 3.632 6.720 7.776 1.00 0.00 C ATOM 218 C LYS A 15 3.023 6.321 6.457 1.00 0.00 C ATOM 219 O LYS A 15 3.682 6.103 5.479 1.00 0.00 O ATOM 220 CB LYS A 15 4.095 8.159 7.801 1.00 0.00 C ATOM 221 CG LYS A 15 2.886 9.065 7.920 1.00 0.00 C ATOM 222 CD LYS A 15 3.017 9.864 9.214 1.00 0.00 C ATOM 223 CE LYS A 15 2.755 11.346 8.941 1.00 0.00 C ATOM 224 NZ LYS A 15 3.934 12.053 9.509 1.00 0.00 N ATOM 0 H LYS A 15 5.442 5.598 7.408 1.00 0.00 H new ATOM 0 HA LYS A 15 2.818 6.567 8.485 1.00 0.00 H new ATOM 0 HB2 LYS A 15 4.772 8.322 8.640 1.00 0.00 H new ATOM 0 HB3 LYS A 15 4.651 8.391 6.893 1.00 0.00 H new ATOM 0 HG2 LYS A 15 2.827 9.736 7.063 1.00 0.00 H new ATOM 0 HG3 LYS A 15 1.969 8.476 7.927 1.00 0.00 H new ATOM 0 HD2 LYS A 15 2.309 9.491 9.955 1.00 0.00 H new ATOM 0 HD3 LYS A 15 4.015 9.733 9.633 1.00 0.00 H new ATOM 0 HE2 LYS A 15 2.655 11.539 7.873 1.00 0.00 H new ATOM 0 HE3 LYS A 15 1.830 11.677 9.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 3.829 13.077 9.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 4.000 11.855 10.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 4.799 11.722 9.036 1.00 0.00 H new ATOM 238 N VAL A 16 1.746 6.203 6.439 1.00 0.00 N ATOM 239 CA VAL A 16 1.072 5.790 5.168 1.00 0.00 C ATOM 240 C VAL A 16 -0.102 6.691 4.844 1.00 0.00 C ATOM 241 O VAL A 16 -1.157 6.640 5.443 1.00 0.00 O ATOM 242 CB VAL A 16 0.614 4.343 5.391 1.00 0.00 C ATOM 243 CG1 VAL A 16 1.813 3.410 5.243 1.00 0.00 C ATOM 244 CG2 VAL A 16 0.039 4.214 6.799 1.00 0.00 C ATOM 0 H VAL A 16 1.128 6.369 7.233 1.00 0.00 H new ATOM 0 HA VAL A 16 1.750 5.869 4.318 1.00 0.00 H new ATOM 0 HB VAL A 16 -0.148 4.076 4.658 1.00 0.00 H new ATOM 0 HG11 VAL A 16 1.494 2.380 5.400 1.00 0.00 H new ATOM 0 HG12 VAL A 16 2.231 3.511 4.242 1.00 0.00 H new ATOM 0 HG13 VAL A 16 2.571 3.672 5.981 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -0.289 3.188 6.965 1.00 0.00 H new ATOM 0 HG22 VAL A 16 0.805 4.473 7.530 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -0.810 4.889 6.908 1.00 0.00 H new ATOM 254 N LEU A 17 0.105 7.500 3.863 1.00 0.00 N ATOM 255 CA LEU A 17 -0.965 8.441 3.400 1.00 0.00 C ATOM 256 C LEU A 17 -1.687 7.898 2.187 1.00 0.00 C ATOM 257 O LEU A 17 -1.117 7.641 1.149 1.00 0.00 O ATOM 258 CB LEU A 17 -0.292 9.754 3.095 1.00 0.00 C ATOM 259 CG LEU A 17 -0.918 10.854 3.927 1.00 0.00 C ATOM 260 CD1 LEU A 17 -0.432 12.217 3.435 1.00 0.00 C ATOM 261 CD2 LEU A 17 -2.441 10.779 3.831 1.00 0.00 C ATOM 0 H LEU A 17 0.981 7.561 3.344 1.00 0.00 H new ATOM 0 HA LEU A 17 -1.724 8.569 4.172 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.775 9.685 3.309 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -0.390 9.986 2.035 1.00 0.00 H new ATOM 0 HG LEU A 17 -0.622 10.724 4.968 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -0.886 13.004 4.037 1.00 0.00 H new ATOM 0 HD12 LEU A 17 0.653 12.271 3.525 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -0.716 12.350 2.391 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -2.883 11.574 4.432 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -2.746 10.898 2.791 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -2.782 9.812 4.201 1.00 0.00 H new ATOM 273 N VAL A 18 -2.961 7.726 2.341 1.00 0.00 N ATOM 274 CA VAL A 18 -3.795 7.190 1.223 1.00 0.00 C ATOM 275 C VAL A 18 -5.170 7.882 1.210 1.00 0.00 C ATOM 276 O VAL A 18 -5.690 8.239 2.248 1.00 0.00 O ATOM 277 CB VAL A 18 -3.935 5.703 1.527 1.00 0.00 C ATOM 278 CG1 VAL A 18 -4.556 4.977 0.331 1.00 0.00 C ATOM 279 CG2 VAL A 18 -2.557 5.105 1.820 1.00 0.00 C ATOM 0 H VAL A 18 -3.473 7.933 3.199 1.00 0.00 H new ATOM 0 HA VAL A 18 -3.350 7.365 0.244 1.00 0.00 H new ATOM 0 HB VAL A 18 -4.581 5.581 2.396 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -4.651 3.915 0.559 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -5.542 5.394 0.124 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -3.918 5.104 -0.543 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -2.660 4.042 2.037 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -1.911 5.237 0.952 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -2.117 5.610 2.680 1.00 0.00 H new ATOM 289 N PRO A 19 -5.702 8.068 0.024 1.00 0.00 N ATOM 290 CA PRO A 19 -7.020 8.750 -0.133 1.00 0.00 C ATOM 291 C PRO A 19 -8.171 7.870 0.399 1.00 0.00 C ATOM 292 O PRO A 19 -8.254 6.698 0.091 1.00 0.00 O ATOM 293 CB PRO A 19 -7.134 8.948 -1.649 1.00 0.00 C ATOM 294 CG PRO A 19 -6.272 7.903 -2.244 1.00 0.00 C ATOM 295 CD PRO A 19 -5.137 7.665 -1.271 1.00 0.00 C ATOM 0 HA PRO A 19 -7.086 9.683 0.427 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -8.166 8.844 -1.983 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -6.803 9.945 -1.942 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -6.836 6.986 -2.411 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -5.889 8.223 -3.213 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -4.826 6.620 -1.265 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -4.259 8.257 -1.527 1.00 0.00 H new ATOM 303 N GLY A 20 -9.060 8.424 1.198 1.00 0.00 N ATOM 304 CA GLY A 20 -10.194 7.616 1.741 1.00 0.00 C ATOM 305 C GLY A 20 -10.399 7.980 3.213 1.00 0.00 C ATOM 306 O GLY A 20 -11.152 8.876 3.541 1.00 0.00 O ATOM 0 H GLY A 20 -9.045 9.400 1.494 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -11.103 7.813 1.173 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -9.981 6.552 1.642 1.00 0.00 H new ATOM 310 N CYS A 21 -9.721 7.307 4.101 1.00 0.00 N ATOM 311 CA CYS A 21 -9.876 7.645 5.558 1.00 0.00 C ATOM 312 C CYS A 21 -8.791 8.629 5.996 1.00 0.00 C ATOM 313 O CYS A 21 -7.883 8.924 5.246 1.00 0.00 O ATOM 314 CB CYS A 21 -9.753 6.349 6.336 1.00 0.00 C ATOM 315 SG CYS A 21 -11.335 5.459 6.293 1.00 0.00 S ATOM 0 H CYS A 21 -9.073 6.547 3.893 1.00 0.00 H new ATOM 0 HA CYS A 21 -10.842 8.116 5.741 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -8.964 5.730 5.908 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -9.470 6.558 7.368 1.00 0.00 H new ATOM 320 N HIS A 22 -8.855 9.136 7.204 1.00 0.00 N ATOM 321 CA HIS A 22 -7.788 10.084 7.645 1.00 0.00 C ATOM 322 C HIS A 22 -7.439 9.858 9.098 1.00 0.00 C ATOM 323 O HIS A 22 -6.671 10.591 9.689 1.00 0.00 O ATOM 324 CB HIS A 22 -8.331 11.507 7.407 1.00 0.00 C ATOM 325 CG HIS A 22 -9.642 11.662 8.132 1.00 0.00 C ATOM 326 ND1 HIS A 22 -10.506 12.716 7.878 1.00 0.00 N ATOM 327 CD2 HIS A 22 -10.249 10.905 9.103 1.00 0.00 C ATOM 328 CE1 HIS A 22 -11.577 12.564 8.679 1.00 0.00 C ATOM 329 NE2 HIS A 22 -11.470 11.476 9.447 1.00 0.00 N ATOM 0 H HIS A 22 -9.584 8.939 7.890 1.00 0.00 H new ATOM 0 HA HIS A 22 -6.868 9.931 7.081 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -7.615 12.247 7.763 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -8.468 11.684 6.340 1.00 0.00 H new ATOM 0 HD1 HIS A 22 -10.357 13.469 7.207 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -9.841 10.003 9.534 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -12.420 13.239 8.698 1.00 0.00 H new ATOM 337 N GLY A 23 -7.955 8.826 9.665 1.00 0.00 N ATOM 338 CA GLY A 23 -7.597 8.531 11.079 1.00 0.00 C ATOM 339 C GLY A 23 -8.428 7.358 11.601 1.00 0.00 C ATOM 340 O GLY A 23 -8.759 6.454 10.860 1.00 0.00 O ATOM 0 H GLY A 23 -8.604 8.173 9.226 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -6.535 8.295 11.151 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -7.770 9.412 11.697 1.00 0.00 H new ATOM 344 N SER A 24 -8.781 7.351 12.865 1.00 0.00 N ATOM 345 CA SER A 24 -9.598 6.213 13.378 1.00 0.00 C ATOM 346 C SER A 24 -10.960 6.223 12.698 1.00 0.00 C ATOM 347 O SER A 24 -11.719 5.276 12.773 1.00 0.00 O ATOM 348 CB SER A 24 -9.757 6.477 14.856 1.00 0.00 C ATOM 349 OG SER A 24 -8.617 7.172 15.340 1.00 0.00 O ATOM 0 H SER A 24 -8.543 8.070 13.549 1.00 0.00 H new ATOM 0 HA SER A 24 -9.135 5.246 13.185 1.00 0.00 H new ATOM 0 HB2 SER A 24 -10.657 7.064 15.036 1.00 0.00 H new ATOM 0 HB3 SER A 24 -9.877 5.536 15.393 1.00 0.00 H new ATOM 0 HG SER A 24 -8.722 7.344 16.299 1.00 0.00 H new ATOM 355 N GLU A 25 -11.269 7.294 12.033 1.00 0.00 N ATOM 356 CA GLU A 25 -12.538 7.416 11.342 1.00 0.00 C ATOM 357 C GLU A 25 -12.731 6.461 10.207 1.00 0.00 C ATOM 358 O GLU A 25 -11.918 5.634 9.845 1.00 0.00 O ATOM 359 CB GLU A 25 -12.533 8.810 10.803 1.00 0.00 C ATOM 360 CG GLU A 25 -13.192 9.714 11.812 1.00 0.00 C ATOM 361 CD GLU A 25 -12.299 10.919 12.114 1.00 0.00 C ATOM 362 OE1 GLU A 25 -11.098 10.730 12.215 1.00 0.00 O ATOM 363 OE2 GLU A 25 -12.831 12.009 12.240 1.00 0.00 O ATOM 0 H GLU A 25 -10.661 8.108 11.948 1.00 0.00 H new ATOM 0 HA GLU A 25 -13.347 7.189 12.036 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -11.512 9.138 10.610 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -13.066 8.851 9.853 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -14.155 10.054 11.431 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -13.390 9.161 12.730 1.00 0.00 H new ATOM 370 N PRO A 26 -13.911 6.638 9.785 1.00 0.00 N ATOM 371 CA PRO A 26 -14.601 5.895 8.747 1.00 0.00 C ATOM 372 C PRO A 26 -14.782 6.737 7.507 1.00 0.00 C ATOM 373 O PRO A 26 -15.299 7.837 7.535 1.00 0.00 O ATOM 374 CB PRO A 26 -15.918 5.653 9.519 1.00 0.00 C ATOM 375 CG PRO A 26 -15.919 6.737 10.605 1.00 0.00 C ATOM 376 CD PRO A 26 -14.820 7.628 10.288 1.00 0.00 C ATOM 0 HA PRO A 26 -14.114 4.999 8.361 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -16.786 5.743 8.865 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -15.948 4.654 9.953 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -16.866 7.276 10.616 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -15.791 6.297 11.594 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -15.082 8.383 9.546 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -14.435 8.158 11.159 1.00 0.00 H new ATOM 384 N CYS A 27 -14.360 6.199 6.414 1.00 0.00 N ATOM 385 CA CYS A 27 -14.504 6.949 5.123 1.00 0.00 C ATOM 386 C CYS A 27 -15.286 6.143 4.101 1.00 0.00 C ATOM 387 O CYS A 27 -14.830 5.170 3.531 1.00 0.00 O ATOM 388 CB CYS A 27 -13.102 7.300 4.621 1.00 0.00 C ATOM 389 SG CYS A 27 -12.095 5.806 4.450 1.00 0.00 S ATOM 0 H CYS A 27 -13.923 5.280 6.342 1.00 0.00 H new ATOM 0 HA CYS A 27 -15.072 7.865 5.284 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -13.171 7.811 3.661 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -12.623 7.990 5.315 1.00 0.00 H new ATOM 394 N ILE A 28 -16.476 6.596 3.881 1.00 0.00 N ATOM 395 CA ILE A 28 -17.404 5.987 2.920 1.00 0.00 C ATOM 396 C ILE A 28 -16.896 6.208 1.497 1.00 0.00 C ATOM 397 O ILE A 28 -17.432 7.003 0.751 1.00 0.00 O ATOM 398 CB ILE A 28 -18.656 6.783 3.177 1.00 0.00 C ATOM 399 CG1 ILE A 28 -19.129 6.528 4.546 1.00 0.00 C ATOM 400 CG2 ILE A 28 -19.727 6.439 2.182 1.00 0.00 C ATOM 401 CD1 ILE A 28 -19.608 5.075 4.703 1.00 0.00 C ATOM 0 H ILE A 28 -16.859 7.411 4.359 1.00 0.00 H new ATOM 0 HA ILE A 28 -17.536 4.910 3.026 1.00 0.00 H new ATOM 0 HB ILE A 28 -18.425 7.842 3.066 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -18.326 6.728 5.255 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -19.944 7.211 4.786 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -20.620 7.028 2.391 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -19.373 6.661 1.175 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -19.966 5.378 2.257 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -19.952 4.914 5.725 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -20.427 4.885 4.010 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -18.784 4.395 4.486 1.00 0.00 H new ATOM 413 N ILE A 29 -15.856 5.518 1.127 1.00 0.00 N ATOM 414 CA ILE A 29 -15.293 5.691 -0.246 1.00 0.00 C ATOM 415 C ILE A 29 -16.428 5.769 -1.239 1.00 0.00 C ATOM 416 O ILE A 29 -17.281 4.907 -1.333 1.00 0.00 O ATOM 417 CB ILE A 29 -14.406 4.480 -0.515 1.00 0.00 C ATOM 418 CG1 ILE A 29 -13.750 4.665 -1.857 1.00 0.00 C ATOM 419 CG2 ILE A 29 -15.244 3.195 -0.509 1.00 0.00 C ATOM 420 CD1 ILE A 29 -12.959 3.418 -2.211 1.00 0.00 C ATOM 0 H ILE A 29 -15.369 4.841 1.714 1.00 0.00 H new ATOM 0 HA ILE A 29 -14.709 6.607 -0.337 1.00 0.00 H new ATOM 0 HB ILE A 29 -13.648 4.393 0.264 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -14.505 4.858 -2.619 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -13.091 5.533 -1.835 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -14.598 2.339 -0.702 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -15.722 3.077 0.463 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -16.008 3.255 -1.284 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -12.484 3.552 -3.183 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -12.194 3.245 -1.454 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -13.630 2.560 -2.251 1.00 0.00 H new ATOM 432 N HIS A 30 -16.447 6.850 -1.941 1.00 0.00 N ATOM 433 CA HIS A 30 -17.510 7.118 -2.913 1.00 0.00 C ATOM 434 C HIS A 30 -17.452 6.133 -4.082 1.00 0.00 C ATOM 435 O HIS A 30 -17.559 4.937 -3.901 1.00 0.00 O ATOM 436 CB HIS A 30 -17.214 8.561 -3.349 1.00 0.00 C ATOM 437 CG HIS A 30 -15.836 8.651 -3.961 1.00 0.00 C ATOM 438 ND1 HIS A 30 -14.965 7.572 -4.002 1.00 0.00 N ATOM 439 CD2 HIS A 30 -15.173 9.690 -4.571 1.00 0.00 C ATOM 440 CE1 HIS A 30 -13.840 7.983 -4.616 1.00 0.00 C ATOM 441 NE2 HIS A 30 -13.914 9.265 -4.983 1.00 0.00 N ATOM 0 H HIS A 30 -15.741 7.584 -1.876 1.00 0.00 H new ATOM 0 HA HIS A 30 -18.515 7.000 -2.509 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -17.962 8.891 -4.070 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -17.282 9.229 -2.490 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -15.570 10.685 -4.709 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -12.981 7.352 -4.791 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -13.201 9.814 -5.462 1.00 0.00 H new ATOM 449 N ARG A 31 -17.285 6.618 -5.274 1.00 0.00 N ATOM 450 CA ARG A 31 -17.219 5.696 -6.449 1.00 0.00 C ATOM 451 C ARG A 31 -15.982 5.999 -7.285 1.00 0.00 C ATOM 452 O ARG A 31 -15.299 6.980 -7.060 1.00 0.00 O ATOM 453 CB ARG A 31 -18.487 5.920 -7.244 1.00 0.00 C ATOM 454 CG ARG A 31 -19.649 5.298 -6.496 1.00 0.00 C ATOM 455 CD ARG A 31 -20.934 5.666 -7.234 1.00 0.00 C ATOM 456 NE ARG A 31 -22.038 5.145 -6.383 1.00 0.00 N ATOM 457 CZ ARG A 31 -22.183 5.584 -5.163 1.00 0.00 C ATOM 458 NH1 ARG A 31 -22.274 6.864 -4.937 1.00 0.00 N ATOM 459 NH2 ARG A 31 -22.236 4.740 -4.171 1.00 0.00 N ATOM 0 H ARG A 31 -17.191 7.610 -5.493 1.00 0.00 H new ATOM 0 HA ARG A 31 -17.143 4.654 -6.137 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -18.659 6.987 -7.388 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -18.395 5.475 -8.235 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -19.535 4.215 -6.446 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -19.681 5.663 -5.469 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -21.016 6.745 -7.368 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -20.959 5.219 -8.228 1.00 0.00 H new ATOM 0 HE ARG A 31 -22.681 4.445 -6.753 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -22.232 7.523 -5.714 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -22.387 7.207 -3.983 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -22.164 3.738 -4.349 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -22.349 5.081 -3.217 1.00 0.00 H new ATOM 473 N GLY A 32 -15.653 5.152 -8.218 1.00 0.00 N ATOM 474 CA GLY A 32 -14.441 5.381 -9.011 1.00 0.00 C ATOM 475 C GLY A 32 -13.302 4.818 -8.176 1.00 0.00 C ATOM 476 O GLY A 32 -13.146 5.223 -7.042 1.00 0.00 O ATOM 0 H GLY A 32 -16.180 4.312 -8.458 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -14.504 4.882 -9.978 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -14.296 6.443 -9.209 1.00 0.00 H new ATOM 480 N LYS A 33 -12.561 3.822 -8.628 1.00 0.00 N ATOM 481 CA LYS A 33 -11.575 3.276 -7.704 1.00 0.00 C ATOM 482 C LYS A 33 -10.120 3.374 -8.133 1.00 0.00 C ATOM 483 O LYS A 33 -9.614 2.555 -8.883 1.00 0.00 O ATOM 484 CB LYS A 33 -11.999 1.864 -7.499 1.00 0.00 C ATOM 485 CG LYS A 33 -13.453 1.890 -7.076 1.00 0.00 C ATOM 486 CD LYS A 33 -13.617 2.641 -5.760 1.00 0.00 C ATOM 487 CE LYS A 33 -14.194 1.700 -4.701 1.00 0.00 C ATOM 488 NZ LYS A 33 -15.622 2.104 -4.569 1.00 0.00 N ATOM 0 H LYS A 33 -12.609 3.399 -9.555 1.00 0.00 H new ATOM 0 HA LYS A 33 -11.570 3.873 -6.792 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -11.875 1.288 -8.416 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -11.385 1.385 -6.737 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -14.054 2.367 -7.850 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -13.824 0.871 -6.968 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -12.654 3.030 -5.429 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -14.277 3.498 -5.898 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -14.105 0.658 -5.007 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -13.665 1.800 -3.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -16.088 1.504 -3.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -15.675 3.099 -4.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -16.101 1.992 -5.485 1.00 0.00 H new ATOM 502 N PRO A 34 -9.493 4.376 -7.614 1.00 0.00 N ATOM 503 CA PRO A 34 -8.061 4.645 -7.833 1.00 0.00 C ATOM 504 C PRO A 34 -7.289 4.267 -6.573 1.00 0.00 C ATOM 505 O PRO A 34 -7.757 4.446 -5.466 1.00 0.00 O ATOM 506 CB PRO A 34 -8.079 6.155 -8.031 1.00 0.00 C ATOM 507 CG PRO A 34 -9.296 6.639 -7.258 1.00 0.00 C ATOM 508 CD PRO A 34 -10.079 5.415 -6.811 1.00 0.00 C ATOM 0 HA PRO A 34 -7.597 4.099 -8.654 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -7.164 6.613 -7.655 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -8.154 6.414 -9.087 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -8.990 7.233 -6.396 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -9.916 7.281 -7.884 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -9.961 5.222 -5.745 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -11.147 5.523 -6.999 1.00 0.00 H new ATOM 516 N PHE A 35 -6.104 3.763 -6.732 1.00 0.00 N ATOM 517 CA PHE A 35 -5.301 3.392 -5.536 1.00 0.00 C ATOM 518 C PHE A 35 -4.033 4.227 -5.504 1.00 0.00 C ATOM 519 O PHE A 35 -3.028 3.867 -6.092 1.00 0.00 O ATOM 520 CB PHE A 35 -4.958 1.913 -5.661 1.00 0.00 C ATOM 521 CG PHE A 35 -6.176 1.140 -6.153 1.00 0.00 C ATOM 522 CD1 PHE A 35 -7.454 1.422 -5.633 1.00 0.00 C ATOM 523 CD2 PHE A 35 -6.032 0.132 -7.122 1.00 0.00 C ATOM 524 CE1 PHE A 35 -8.569 0.704 -6.077 1.00 0.00 C ATOM 525 CE2 PHE A 35 -7.152 -0.581 -7.564 1.00 0.00 C ATOM 526 CZ PHE A 35 -8.418 -0.296 -7.042 1.00 0.00 C ATOM 0 H PHE A 35 -5.656 3.591 -7.632 1.00 0.00 H new ATOM 0 HA PHE A 35 -5.855 3.575 -4.615 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -4.127 1.780 -6.354 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -4.634 1.523 -4.696 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -7.573 2.195 -4.889 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -5.056 -0.092 -7.526 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -9.547 0.922 -5.674 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -7.039 -1.353 -8.310 1.00 0.00 H new ATOM 0 HZ PHE A 35 -9.280 -0.849 -7.385 1.00 0.00 H new ATOM 536 N GLN A 36 -4.084 5.349 -4.856 1.00 0.00 N ATOM 537 CA GLN A 36 -2.877 6.238 -4.776 1.00 0.00 C ATOM 538 C GLN A 36 -2.395 6.283 -3.314 1.00 0.00 C ATOM 539 O GLN A 36 -2.670 7.225 -2.597 1.00 0.00 O ATOM 540 CB GLN A 36 -3.336 7.618 -5.235 1.00 0.00 C ATOM 541 CG GLN A 36 -3.568 7.582 -6.689 1.00 0.00 C ATOM 542 CD GLN A 36 -4.777 6.679 -7.019 1.00 0.00 C ATOM 543 OE1 GLN A 36 -5.691 6.593 -6.225 1.00 0.00 O ATOM 544 NE2 GLN A 36 -4.836 5.986 -8.148 1.00 0.00 N ATOM 0 H GLN A 36 -4.910 5.700 -4.372 1.00 0.00 H new ATOM 0 HA GLN A 36 -2.053 5.882 -5.395 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -4.250 7.904 -4.714 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -2.582 8.367 -4.992 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -3.748 8.591 -7.060 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -2.678 7.209 -7.197 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -4.075 6.048 -8.825 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -5.642 5.391 -8.340 1.00 0.00 H new ATOM 553 N LEU A 37 -1.686 5.272 -2.858 1.00 0.00 N ATOM 554 CA LEU A 37 -1.212 5.270 -1.449 1.00 0.00 C ATOM 555 C LEU A 37 0.320 5.417 -1.413 1.00 0.00 C ATOM 556 O LEU A 37 1.022 4.879 -2.246 1.00 0.00 O ATOM 557 CB LEU A 37 -1.694 3.905 -0.874 1.00 0.00 C ATOM 558 CG LEU A 37 -0.986 2.727 -1.539 1.00 0.00 C ATOM 559 CD1 LEU A 37 0.190 2.269 -0.673 1.00 0.00 C ATOM 560 CD2 LEU A 37 -1.969 1.554 -1.683 1.00 0.00 C ATOM 0 H LEU A 37 -1.420 4.454 -3.406 1.00 0.00 H new ATOM 0 HA LEU A 37 -1.602 6.099 -0.858 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -1.512 3.879 0.200 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -2.770 3.810 -1.017 1.00 0.00 H new ATOM 0 HG LEU A 37 -0.625 3.041 -2.518 1.00 0.00 H new ATOM 0 HD11 LEU A 37 0.690 1.428 -1.154 1.00 0.00 H new ATOM 0 HD12 LEU A 37 0.896 3.091 -0.553 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -0.177 1.961 0.306 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -1.464 0.713 -2.158 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -2.325 1.254 -0.697 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -2.816 1.862 -2.296 1.00 0.00 H new ATOM 572 N GLU A 38 0.842 6.162 -0.464 1.00 0.00 N ATOM 573 CA GLU A 38 2.317 6.370 -0.378 1.00 0.00 C ATOM 574 C GLU A 38 2.715 6.337 1.063 1.00 0.00 C ATOM 575 O GLU A 38 2.041 6.826 1.939 1.00 0.00 O ATOM 576 CB GLU A 38 2.557 7.751 -1.009 1.00 0.00 C ATOM 577 CG GLU A 38 2.079 8.846 -0.049 1.00 0.00 C ATOM 578 CD GLU A 38 3.253 9.326 0.804 1.00 0.00 C ATOM 579 OE1 GLU A 38 4.382 9.052 0.430 1.00 0.00 O ATOM 580 OE2 GLU A 38 3.004 9.959 1.816 1.00 0.00 O ATOM 0 H GLU A 38 0.300 6.637 0.258 1.00 0.00 H new ATOM 0 HA GLU A 38 2.903 5.607 -0.891 1.00 0.00 H new ATOM 0 HB2 GLU A 38 3.617 7.883 -1.228 1.00 0.00 H new ATOM 0 HB3 GLU A 38 2.024 7.826 -1.957 1.00 0.00 H new ATOM 0 HG2 GLU A 38 1.660 9.680 -0.612 1.00 0.00 H new ATOM 0 HG3 GLU A 38 1.284 8.462 0.591 1.00 0.00 H new ATOM 587 N ALA A 39 3.785 5.682 1.298 1.00 0.00 N ATOM 588 CA ALA A 39 4.243 5.504 2.715 1.00 0.00 C ATOM 589 C ALA A 39 5.758 5.569 2.870 1.00 0.00 C ATOM 590 O ALA A 39 6.529 5.251 1.989 1.00 0.00 O ATOM 591 CB ALA A 39 3.744 4.100 3.081 1.00 0.00 C ATOM 0 H ALA A 39 4.378 5.253 0.588 1.00 0.00 H new ATOM 0 HA ALA A 39 3.859 6.300 3.353 1.00 0.00 H new ATOM 0 HB1 ALA A 39 4.029 3.869 4.107 1.00 0.00 H new ATOM 0 HB2 ALA A 39 2.658 4.064 2.989 1.00 0.00 H new ATOM 0 HB3 ALA A 39 4.189 3.368 2.407 1.00 0.00 H new ATOM 597 N VAL A 40 6.147 5.961 4.041 1.00 0.00 N ATOM 598 CA VAL A 40 7.574 6.060 4.422 1.00 0.00 C ATOM 599 C VAL A 40 7.873 4.957 5.437 1.00 0.00 C ATOM 600 O VAL A 40 7.048 4.629 6.284 1.00 0.00 O ATOM 601 CB VAL A 40 7.799 7.444 4.999 1.00 0.00 C ATOM 602 CG1 VAL A 40 8.205 8.397 3.874 1.00 0.00 C ATOM 603 CG2 VAL A 40 6.524 7.942 5.645 1.00 0.00 C ATOM 0 H VAL A 40 5.502 6.229 4.785 1.00 0.00 H new ATOM 0 HA VAL A 40 8.243 5.926 3.572 1.00 0.00 H new ATOM 0 HB VAL A 40 8.588 7.401 5.749 1.00 0.00 H new ATOM 0 HG11 VAL A 40 8.368 9.394 4.283 1.00 0.00 H new ATOM 0 HG12 VAL A 40 9.124 8.041 3.409 1.00 0.00 H new ATOM 0 HG13 VAL A 40 7.412 8.437 3.127 1.00 0.00 H new ATOM 0 HG21 VAL A 40 6.690 8.937 6.058 1.00 0.00 H new ATOM 0 HG22 VAL A 40 5.731 7.987 4.898 1.00 0.00 H new ATOM 0 HG23 VAL A 40 6.231 7.261 6.444 1.00 0.00 H new ATOM 613 N PHE A 41 9.047 4.373 5.308 1.00 0.00 N ATOM 614 CA PHE A 41 9.500 3.258 6.164 1.00 0.00 C ATOM 615 C PHE A 41 11.033 3.252 6.139 1.00 0.00 C ATOM 616 O PHE A 41 11.642 3.153 5.086 1.00 0.00 O ATOM 617 CB PHE A 41 8.998 1.964 5.490 1.00 0.00 C ATOM 618 CG PHE A 41 9.055 2.099 3.979 1.00 0.00 C ATOM 619 CD1 PHE A 41 10.260 1.872 3.293 1.00 0.00 C ATOM 620 CD2 PHE A 41 7.899 2.431 3.261 1.00 0.00 C ATOM 621 CE1 PHE A 41 10.306 1.982 1.897 1.00 0.00 C ATOM 622 CE2 PHE A 41 7.946 2.536 1.867 1.00 0.00 C ATOM 623 CZ PHE A 41 9.149 2.314 1.185 1.00 0.00 C ATOM 0 H PHE A 41 9.731 4.650 4.604 1.00 0.00 H new ATOM 0 HA PHE A 41 9.135 3.345 7.188 1.00 0.00 H new ATOM 0 HB2 PHE A 41 9.608 1.119 5.809 1.00 0.00 H new ATOM 0 HB3 PHE A 41 7.975 1.755 5.805 1.00 0.00 H new ATOM 0 HD1 PHE A 41 11.153 1.612 3.843 1.00 0.00 H new ATOM 0 HD2 PHE A 41 6.971 2.606 3.784 1.00 0.00 H new ATOM 0 HE1 PHE A 41 11.234 1.811 1.371 1.00 0.00 H new ATOM 0 HE2 PHE A 41 7.053 2.789 1.315 1.00 0.00 H new ATOM 0 HZ PHE A 41 9.183 2.399 0.109 1.00 0.00 H new ATOM 633 N GLU A 42 11.668 3.365 7.250 1.00 0.00 N ATOM 634 CA GLU A 42 13.162 3.323 7.250 1.00 0.00 C ATOM 635 C GLU A 42 13.606 1.919 6.914 1.00 0.00 C ATOM 636 O GLU A 42 12.932 0.939 7.162 1.00 0.00 O ATOM 637 CB GLU A 42 13.633 3.654 8.644 1.00 0.00 C ATOM 638 CG GLU A 42 15.049 4.215 8.532 1.00 0.00 C ATOM 639 CD GLU A 42 15.437 4.905 9.841 1.00 0.00 C ATOM 640 OE1 GLU A 42 14.899 5.965 10.112 1.00 0.00 O ATOM 641 OE2 GLU A 42 16.270 4.362 10.549 1.00 0.00 O ATOM 0 H GLU A 42 11.233 3.485 8.165 1.00 0.00 H new ATOM 0 HA GLU A 42 13.569 4.028 6.525 1.00 0.00 H new ATOM 0 HB2 GLU A 42 12.969 4.382 9.110 1.00 0.00 H new ATOM 0 HB3 GLU A 42 13.622 2.764 9.273 1.00 0.00 H new ATOM 0 HG2 GLU A 42 15.752 3.412 8.311 1.00 0.00 H new ATOM 0 HG3 GLU A 42 15.105 4.924 7.706 1.00 0.00 H new ATOM 648 N ALA A 43 14.750 1.846 6.377 1.00 0.00 N ATOM 649 CA ALA A 43 15.360 0.529 6.009 1.00 0.00 C ATOM 650 C ALA A 43 16.136 0.018 7.197 1.00 0.00 C ATOM 651 O ALA A 43 16.894 0.746 7.808 1.00 0.00 O ATOM 652 CB ALA A 43 16.298 0.836 4.835 1.00 0.00 C ATOM 0 H ALA A 43 15.330 2.656 6.159 1.00 0.00 H new ATOM 0 HA ALA A 43 14.625 -0.228 5.735 1.00 0.00 H new ATOM 0 HB1 ALA A 43 16.784 -0.083 4.508 1.00 0.00 H new ATOM 0 HB2 ALA A 43 15.723 1.256 4.010 1.00 0.00 H new ATOM 0 HB3 ALA A 43 17.055 1.554 5.152 1.00 0.00 H new ATOM 658 N ASN A 44 15.968 -1.227 7.541 1.00 0.00 N ATOM 659 CA ASN A 44 16.721 -1.726 8.691 1.00 0.00 C ATOM 660 C ASN A 44 17.722 -2.764 8.340 1.00 0.00 C ATOM 661 O ASN A 44 17.905 -3.802 8.945 1.00 0.00 O ATOM 662 CB ASN A 44 15.782 -2.100 9.838 1.00 0.00 C ATOM 663 CG ASN A 44 14.890 -3.317 9.470 1.00 0.00 C ATOM 664 OD1 ASN A 44 14.046 -3.297 8.445 1.00 0.00 O flip ATOM 665 ND2 ASN A 44 14.963 -4.327 10.140 1.00 0.00 N flip ATOM 0 H ASN A 44 15.353 -1.897 7.079 1.00 0.00 H new ATOM 0 HA ASN A 44 17.338 -0.907 9.061 1.00 0.00 H new ATOM 0 HB2 ASN A 44 16.367 -2.332 10.728 1.00 0.00 H new ATOM 0 HB3 ASN A 44 15.151 -1.247 10.086 1.00 0.00 H new ATOM 0 HD21 ASN A 44 15.604 -4.368 10.933 1.00 0.00 H new ATOM 0 HD22 ASN A 44 14.384 -5.135 9.910 1.00 0.00 H new ATOM 672 N GLN A 45 18.407 -2.355 7.371 1.00 0.00 N ATOM 673 CA GLN A 45 19.534 -3.058 6.804 1.00 0.00 C ATOM 674 C GLN A 45 19.966 -2.493 5.473 1.00 0.00 C ATOM 675 O GLN A 45 19.735 -1.338 5.141 1.00 0.00 O ATOM 676 CB GLN A 45 19.060 -4.443 6.572 1.00 0.00 C ATOM 677 CG GLN A 45 17.679 -4.370 5.947 1.00 0.00 C ATOM 678 CD GLN A 45 16.921 -5.688 6.186 1.00 0.00 C ATOM 679 OE1 GLN A 45 16.795 -6.120 7.315 1.00 0.00 O ATOM 680 NE2 GLN A 45 16.406 -6.357 5.181 1.00 0.00 N ATOM 0 H GLN A 45 18.212 -1.471 6.900 1.00 0.00 H new ATOM 0 HA GLN A 45 20.386 -2.981 7.480 1.00 0.00 H new ATOM 0 HB2 GLN A 45 19.748 -4.976 5.915 1.00 0.00 H new ATOM 0 HB3 GLN A 45 19.024 -4.995 7.511 1.00 0.00 H new ATOM 0 HG2 GLN A 45 17.121 -3.537 6.375 1.00 0.00 H new ATOM 0 HG3 GLN A 45 17.765 -4.179 4.877 1.00 0.00 H new ATOM 0 HE21 GLN A 45 16.505 -6.004 4.229 1.00 0.00 H new ATOM 0 HE22 GLN A 45 15.906 -7.230 5.352 1.00 0.00 H new ATOM 689 N ASN A 46 20.648 -3.285 4.732 1.00 0.00 N ATOM 690 CA ASN A 46 21.158 -2.866 3.424 1.00 0.00 C ATOM 691 C ASN A 46 20.410 -3.593 2.358 1.00 0.00 C ATOM 692 O ASN A 46 19.858 -4.656 2.553 1.00 0.00 O ATOM 693 CB ASN A 46 22.553 -3.334 3.461 1.00 0.00 C ATOM 694 CG ASN A 46 23.310 -2.855 2.221 1.00 0.00 C ATOM 695 OD1 ASN A 46 23.882 -1.784 2.219 1.00 0.00 O ATOM 696 ND2 ASN A 46 23.337 -3.611 1.157 1.00 0.00 N ATOM 0 H ASN A 46 20.883 -4.244 4.988 1.00 0.00 H new ATOM 0 HA ASN A 46 21.062 -1.799 3.225 1.00 0.00 H new ATOM 0 HB2 ASN A 46 23.044 -2.963 4.360 1.00 0.00 H new ATOM 0 HB3 ASN A 46 22.577 -4.423 3.511 1.00 0.00 H new ATOM 0 HD21 ASN A 46 23.839 -3.302 0.324 1.00 0.00 H new ATOM 0 HD22 ASN A 46 22.857 -4.511 1.158 1.00 0.00 H new ATOM 703 N THR A 47 20.374 -3.005 1.249 1.00 0.00 N ATOM 704 CA THR A 47 19.620 -3.640 0.117 1.00 0.00 C ATOM 705 C THR A 47 19.822 -2.907 -1.200 1.00 0.00 C ATOM 706 O THR A 47 20.044 -1.725 -1.210 1.00 0.00 O ATOM 707 CB THR A 47 18.150 -3.526 0.566 1.00 0.00 C ATOM 708 OG1 THR A 47 17.300 -3.485 -0.569 1.00 0.00 O ATOM 709 CG2 THR A 47 17.919 -2.248 1.389 1.00 0.00 C ATOM 0 H THR A 47 20.821 -2.112 1.039 1.00 0.00 H new ATOM 0 HA THR A 47 19.952 -4.661 -0.070 1.00 0.00 H new ATOM 0 HB THR A 47 17.924 -4.396 1.182 1.00 0.00 H new ATOM 0 HG1 THR A 47 16.367 -3.414 -0.277 1.00 0.00 H new ATOM 0 HG21 THR A 47 16.873 -2.194 1.692 1.00 0.00 H new ATOM 0 HG22 THR A 47 18.553 -2.266 2.275 1.00 0.00 H new ATOM 0 HG23 THR A 47 18.167 -1.376 0.784 1.00 0.00 H new ATOM 717 N LYS A 48 19.730 -3.578 -2.319 1.00 0.00 N ATOM 718 CA LYS A 48 19.896 -2.834 -3.620 1.00 0.00 C ATOM 719 C LYS A 48 18.551 -2.774 -4.378 1.00 0.00 C ATOM 720 O LYS A 48 18.509 -2.356 -5.514 1.00 0.00 O ATOM 721 CB LYS A 48 20.958 -3.583 -4.429 1.00 0.00 C ATOM 722 CG LYS A 48 20.293 -4.710 -5.153 1.00 0.00 C ATOM 723 CD LYS A 48 21.160 -5.969 -5.107 1.00 0.00 C ATOM 724 CE LYS A 48 22.333 -5.818 -6.076 1.00 0.00 C ATOM 725 NZ LYS A 48 21.774 -6.169 -7.412 1.00 0.00 N ATOM 0 H LYS A 48 19.553 -4.579 -2.398 1.00 0.00 H new ATOM 0 HA LYS A 48 20.209 -1.804 -3.449 1.00 0.00 H new ATOM 0 HB2 LYS A 48 21.440 -2.909 -5.137 1.00 0.00 H new ATOM 0 HB3 LYS A 48 21.738 -3.964 -3.770 1.00 0.00 H new ATOM 0 HG2 LYS A 48 19.322 -4.915 -4.703 1.00 0.00 H new ATOM 0 HG3 LYS A 48 20.111 -4.426 -6.189 1.00 0.00 H new ATOM 0 HD2 LYS A 48 21.530 -6.132 -4.095 1.00 0.00 H new ATOM 0 HD3 LYS A 48 20.565 -6.843 -5.373 1.00 0.00 H new ATOM 0 HE2 LYS A 48 22.725 -4.801 -6.066 1.00 0.00 H new ATOM 0 HE3 LYS A 48 23.156 -6.479 -5.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 22.104 -7.116 -7.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 20.735 -6.164 -7.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 22.093 -5.473 -8.116 1.00 0.00 H new ATOM 739 N THR A 49 17.447 -3.170 -3.763 1.00 0.00 N ATOM 740 CA THR A 49 16.146 -3.097 -4.469 1.00 0.00 C ATOM 741 C THR A 49 14.998 -3.328 -3.517 1.00 0.00 C ATOM 742 O THR A 49 15.079 -4.094 -2.578 1.00 0.00 O ATOM 743 CB THR A 49 16.148 -4.146 -5.538 1.00 0.00 C ATOM 744 OG1 THR A 49 16.980 -5.240 -5.171 1.00 0.00 O ATOM 745 CG2 THR A 49 16.645 -3.485 -6.809 1.00 0.00 C ATOM 0 H THR A 49 17.407 -3.535 -2.811 1.00 0.00 H new ATOM 0 HA THR A 49 16.016 -2.105 -4.901 1.00 0.00 H new ATOM 0 HB THR A 49 15.146 -4.550 -5.685 1.00 0.00 H new ATOM 0 HG1 THR A 49 16.966 -5.914 -5.882 1.00 0.00 H new ATOM 0 HG21 THR A 49 16.662 -4.217 -7.617 1.00 0.00 H new ATOM 0 HG22 THR A 49 15.979 -2.665 -7.077 1.00 0.00 H new ATOM 0 HG23 THR A 49 17.651 -3.098 -6.648 1.00 0.00 H new ATOM 753 N ALA A 50 13.922 -2.677 -3.780 1.00 0.00 N ATOM 754 CA ALA A 50 12.717 -2.852 -2.916 1.00 0.00 C ATOM 755 C ALA A 50 11.474 -2.871 -3.770 1.00 0.00 C ATOM 756 O ALA A 50 10.887 -1.862 -4.100 1.00 0.00 O ATOM 757 CB ALA A 50 12.698 -1.677 -1.932 1.00 0.00 C ATOM 0 H ALA A 50 13.810 -2.025 -4.556 1.00 0.00 H new ATOM 0 HA ALA A 50 12.749 -3.796 -2.371 1.00 0.00 H new ATOM 0 HB1 ALA A 50 11.830 -1.764 -1.278 1.00 0.00 H new ATOM 0 HB2 ALA A 50 13.608 -1.690 -1.332 1.00 0.00 H new ATOM 0 HB3 ALA A 50 12.642 -0.740 -2.486 1.00 0.00 H new ATOM 763 N LYS A 51 11.080 -4.048 -4.093 1.00 0.00 N ATOM 764 CA LYS A 51 9.849 -4.256 -4.921 1.00 0.00 C ATOM 765 C LYS A 51 8.613 -3.791 -4.154 1.00 0.00 C ATOM 766 O LYS A 51 8.686 -3.368 -3.009 1.00 0.00 O ATOM 767 CB LYS A 51 9.760 -5.760 -5.209 1.00 0.00 C ATOM 768 CG LYS A 51 11.115 -6.281 -5.700 1.00 0.00 C ATOM 769 CD LYS A 51 11.097 -6.384 -7.227 1.00 0.00 C ATOM 770 CE LYS A 51 11.693 -7.725 -7.657 1.00 0.00 C ATOM 771 NZ LYS A 51 10.517 -8.614 -7.874 1.00 0.00 N ATOM 0 H LYS A 51 11.558 -4.907 -3.820 1.00 0.00 H new ATOM 0 HA LYS A 51 9.898 -3.683 -5.847 1.00 0.00 H new ATOM 0 HB2 LYS A 51 9.461 -6.294 -4.307 1.00 0.00 H new ATOM 0 HB3 LYS A 51 8.994 -5.950 -5.961 1.00 0.00 H new ATOM 0 HG2 LYS A 51 11.913 -5.611 -5.379 1.00 0.00 H new ATOM 0 HG3 LYS A 51 11.323 -7.257 -5.261 1.00 0.00 H new ATOM 0 HD2 LYS A 51 10.075 -6.294 -7.596 1.00 0.00 H new ATOM 0 HD3 LYS A 51 11.667 -5.564 -7.664 1.00 0.00 H new ATOM 0 HE2 LYS A 51 12.283 -7.621 -8.567 1.00 0.00 H new ATOM 0 HE3 LYS A 51 12.356 -8.127 -6.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 10.844 -9.555 -8.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 9.978 -8.699 -6.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 9.908 -8.209 -8.613 1.00 0.00 H new ATOM 785 N ILE A 52 7.481 -3.931 -4.767 1.00 0.00 N ATOM 786 CA ILE A 52 6.188 -3.518 -4.123 1.00 0.00 C ATOM 787 C ILE A 52 5.082 -4.513 -4.462 1.00 0.00 C ATOM 788 O ILE A 52 4.979 -4.971 -5.584 1.00 0.00 O ATOM 789 CB ILE A 52 5.778 -2.138 -4.702 1.00 0.00 C ATOM 790 CG1 ILE A 52 6.887 -1.150 -4.470 1.00 0.00 C ATOM 791 CG2 ILE A 52 4.525 -1.658 -3.976 1.00 0.00 C ATOM 792 CD1 ILE A 52 6.449 0.268 -4.894 1.00 0.00 C ATOM 0 H ILE A 52 7.382 -4.320 -5.705 1.00 0.00 H new ATOM 0 HA ILE A 52 6.324 -3.478 -3.042 1.00 0.00 H new ATOM 0 HB ILE A 52 5.585 -2.226 -5.771 1.00 0.00 H new ATOM 0 HG12 ILE A 52 7.167 -1.150 -3.417 1.00 0.00 H new ATOM 0 HG13 ILE A 52 7.771 -1.448 -5.035 1.00 0.00 H new ATOM 0 HG21 ILE A 52 4.224 -0.688 -4.372 1.00 0.00 H new ATOM 0 HG22 ILE A 52 3.720 -2.377 -4.126 1.00 0.00 H new ATOM 0 HG23 ILE A 52 4.735 -1.565 -2.910 1.00 0.00 H new ATOM 0 HD11 ILE A 52 7.265 0.969 -4.718 1.00 0.00 H new ATOM 0 HD12 ILE A 52 6.192 0.268 -5.953 1.00 0.00 H new ATOM 0 HD13 ILE A 52 5.580 0.570 -4.310 1.00 0.00 H new ATOM 804 N GLU A 53 4.235 -4.835 -3.525 1.00 0.00 N ATOM 805 CA GLU A 53 3.138 -5.764 -3.829 1.00 0.00 C ATOM 806 C GLU A 53 1.890 -5.320 -3.128 1.00 0.00 C ATOM 807 O GLU A 53 1.705 -5.470 -1.930 1.00 0.00 O ATOM 808 CB GLU A 53 3.600 -7.125 -3.372 1.00 0.00 C ATOM 809 CG GLU A 53 2.456 -8.131 -3.514 1.00 0.00 C ATOM 810 CD GLU A 53 1.815 -8.372 -2.147 1.00 0.00 C ATOM 811 OE1 GLU A 53 2.468 -8.960 -1.302 1.00 0.00 O ATOM 812 OE2 GLU A 53 0.679 -7.963 -1.967 1.00 0.00 O ATOM 0 H GLU A 53 4.264 -4.490 -2.566 1.00 0.00 H new ATOM 0 HA GLU A 53 2.899 -5.792 -4.892 1.00 0.00 H new ATOM 0 HB2 GLU A 53 4.456 -7.447 -3.964 1.00 0.00 H new ATOM 0 HB3 GLU A 53 3.930 -7.078 -2.334 1.00 0.00 H new ATOM 0 HG2 GLU A 53 1.711 -7.754 -4.215 1.00 0.00 H new ATOM 0 HG3 GLU A 53 2.832 -9.069 -3.922 1.00 0.00 H new ATOM 819 N ILE A 54 1.047 -4.776 -3.922 1.00 0.00 N ATOM 820 CA ILE A 54 -0.278 -4.270 -3.451 1.00 0.00 C ATOM 821 C ILE A 54 -1.274 -5.382 -3.617 1.00 0.00 C ATOM 822 O ILE A 54 -1.429 -5.952 -4.680 1.00 0.00 O ATOM 823 CB ILE A 54 -0.617 -3.112 -4.367 1.00 0.00 C ATOM 824 CG1 ILE A 54 -1.711 -2.301 -3.727 1.00 0.00 C ATOM 825 CG2 ILE A 54 -1.065 -3.610 -5.749 1.00 0.00 C ATOM 826 CD1 ILE A 54 -2.922 -3.174 -3.514 1.00 0.00 C ATOM 0 H ILE A 54 1.212 -4.648 -4.920 1.00 0.00 H new ATOM 0 HA ILE A 54 -0.278 -3.952 -2.408 1.00 0.00 H new ATOM 0 HB ILE A 54 0.272 -2.498 -4.512 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -1.369 -1.896 -2.775 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -1.968 -1.452 -4.361 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -1.302 -2.756 -6.384 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -0.262 -4.190 -6.205 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -1.950 -4.238 -5.640 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -3.716 -2.588 -3.050 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -3.267 -3.558 -4.474 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -2.659 -4.008 -2.863 1.00 0.00 H new ATOM 838 N LYS A 55 -1.963 -5.679 -2.591 1.00 0.00 N ATOM 839 CA LYS A 55 -2.987 -6.760 -2.710 1.00 0.00 C ATOM 840 C LYS A 55 -4.296 -6.235 -2.155 1.00 0.00 C ATOM 841 O LYS A 55 -4.304 -5.412 -1.284 1.00 0.00 O ATOM 842 CB LYS A 55 -2.474 -7.984 -1.924 1.00 0.00 C ATOM 843 CG LYS A 55 -3.624 -8.974 -1.700 1.00 0.00 C ATOM 844 CD LYS A 55 -3.272 -9.912 -0.545 1.00 0.00 C ATOM 845 CE LYS A 55 -4.224 -9.660 0.625 1.00 0.00 C ATOM 846 NZ LYS A 55 -4.321 -10.970 1.326 1.00 0.00 N ATOM 0 H LYS A 55 -1.882 -5.240 -1.674 1.00 0.00 H new ATOM 0 HA LYS A 55 -3.154 -7.059 -3.745 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -1.666 -8.468 -2.473 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -2.063 -7.667 -0.966 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -4.544 -8.434 -1.477 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -3.804 -9.550 -2.608 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -3.345 -10.950 -0.870 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -2.241 -9.748 -0.231 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -3.840 -8.884 1.288 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -5.201 -9.325 0.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -4.958 -10.880 2.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -4.696 -11.687 0.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -3.377 -11.259 1.653 1.00 0.00 H new ATOM 860 N ALA A 56 -5.408 -6.645 -2.675 1.00 0.00 N ATOM 861 CA ALA A 56 -6.665 -6.079 -2.138 1.00 0.00 C ATOM 862 C ALA A 56 -7.713 -7.157 -1.916 1.00 0.00 C ATOM 863 O ALA A 56 -8.012 -7.935 -2.796 1.00 0.00 O ATOM 864 CB ALA A 56 -7.096 -5.068 -3.191 1.00 0.00 C ATOM 0 H ALA A 56 -5.504 -7.328 -3.427 1.00 0.00 H new ATOM 0 HA ALA A 56 -6.532 -5.618 -1.159 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -8.026 -4.592 -2.880 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -6.321 -4.310 -3.306 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -7.250 -5.577 -4.143 1.00 0.00 H new ATOM 870 N SER A 57 -8.301 -7.174 -0.758 1.00 0.00 N ATOM 871 CA SER A 57 -9.380 -8.172 -0.485 1.00 0.00 C ATOM 872 C SER A 57 -10.701 -7.413 -0.580 1.00 0.00 C ATOM 873 O SER A 57 -11.100 -6.754 0.347 1.00 0.00 O ATOM 874 CB SER A 57 -9.109 -8.699 0.939 1.00 0.00 C ATOM 875 OG SER A 57 -9.813 -7.902 1.882 1.00 0.00 O ATOM 0 H SER A 57 -8.086 -6.543 0.014 1.00 0.00 H new ATOM 0 HA SER A 57 -9.413 -9.013 -1.178 1.00 0.00 H new ATOM 0 HB2 SER A 57 -9.424 -9.739 1.019 1.00 0.00 H new ATOM 0 HB3 SER A 57 -8.040 -8.672 1.151 1.00 0.00 H new ATOM 0 HG SER A 57 -10.381 -7.260 1.408 1.00 0.00 H new ATOM 881 N ILE A 58 -11.346 -7.455 -1.715 1.00 0.00 N ATOM 882 CA ILE A 58 -12.626 -6.668 -1.894 1.00 0.00 C ATOM 883 C ILE A 58 -13.842 -7.616 -1.897 1.00 0.00 C ATOM 884 O ILE A 58 -14.104 -8.353 -2.826 1.00 0.00 O ATOM 885 CB ILE A 58 -12.455 -5.895 -3.251 1.00 0.00 C ATOM 886 CG1 ILE A 58 -13.127 -6.665 -4.402 1.00 0.00 C ATOM 887 CG2 ILE A 58 -10.970 -5.704 -3.555 1.00 0.00 C ATOM 888 CD1 ILE A 58 -12.649 -6.117 -5.747 1.00 0.00 C ATOM 0 H ILE A 58 -11.053 -7.994 -2.529 1.00 0.00 H new ATOM 0 HA ILE A 58 -12.807 -5.967 -1.079 1.00 0.00 H new ATOM 0 HB ILE A 58 -12.934 -4.921 -3.158 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -12.890 -7.726 -4.328 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -14.211 -6.574 -4.327 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -10.858 -5.167 -4.497 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -10.505 -5.130 -2.753 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -10.486 -6.678 -3.632 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -13.130 -6.668 -6.556 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -12.909 -5.061 -5.823 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -11.568 -6.231 -5.823 1.00 0.00 H new ATOM 900 N ASP A 59 -14.573 -7.575 -0.829 1.00 0.00 N ATOM 901 CA ASP A 59 -15.817 -8.431 -0.664 1.00 0.00 C ATOM 902 C ASP A 59 -15.699 -9.799 -1.343 1.00 0.00 C ATOM 903 O ASP A 59 -16.469 -10.140 -2.218 1.00 0.00 O ATOM 904 CB ASP A 59 -16.971 -7.622 -1.298 1.00 0.00 C ATOM 905 CG ASP A 59 -16.459 -6.861 -2.522 1.00 0.00 C ATOM 906 OD1 ASP A 59 -16.145 -7.509 -3.507 1.00 0.00 O ATOM 907 OD2 ASP A 59 -16.388 -5.645 -2.454 1.00 0.00 O ATOM 0 H ASP A 59 -14.372 -6.974 -0.030 1.00 0.00 H new ATOM 0 HA ASP A 59 -15.981 -8.644 0.392 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -17.781 -8.292 -1.587 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -17.381 -6.923 -0.569 1.00 0.00 H new ATOM 912 N GLY A 60 -14.776 -10.604 -0.902 1.00 0.00 N ATOM 913 CA GLY A 60 -14.631 -11.975 -1.459 1.00 0.00 C ATOM 914 C GLY A 60 -13.910 -11.952 -2.803 1.00 0.00 C ATOM 915 O GLY A 60 -13.473 -12.972 -3.298 1.00 0.00 O ATOM 0 H GLY A 60 -14.107 -10.367 -0.169 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -14.077 -12.599 -0.757 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -15.615 -12.427 -1.579 1.00 0.00 H new ATOM 919 N LEU A 61 -13.808 -10.815 -3.411 1.00 0.00 N ATOM 920 CA LEU A 61 -13.161 -10.729 -4.712 1.00 0.00 C ATOM 921 C LEU A 61 -11.805 -10.049 -4.612 1.00 0.00 C ATOM 922 O LEU A 61 -11.552 -9.039 -5.238 1.00 0.00 O ATOM 923 CB LEU A 61 -14.104 -9.886 -5.455 1.00 0.00 C ATOM 924 CG LEU A 61 -14.069 -10.330 -6.907 1.00 0.00 C ATOM 925 CD1 LEU A 61 -15.491 -10.428 -7.460 1.00 0.00 C ATOM 926 CD2 LEU A 61 -13.258 -9.332 -7.736 1.00 0.00 C ATOM 0 H LEU A 61 -14.157 -9.929 -3.044 1.00 0.00 H new ATOM 0 HA LEU A 61 -12.964 -11.699 -5.168 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -15.110 -9.986 -5.048 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -13.828 -8.835 -5.369 1.00 0.00 H new ATOM 0 HG LEU A 61 -13.598 -11.311 -6.966 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -15.455 -10.747 -8.502 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -16.059 -11.154 -6.878 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -15.974 -9.453 -7.396 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -13.237 -9.656 -8.777 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -13.719 -8.346 -7.672 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -12.240 -9.282 -7.351 1.00 0.00 H new ATOM 938 N GLU A 62 -10.926 -10.600 -3.831 1.00 0.00 N ATOM 939 CA GLU A 62 -9.611 -10.051 -3.657 1.00 0.00 C ATOM 940 C GLU A 62 -8.911 -9.887 -5.001 1.00 0.00 C ATOM 941 O GLU A 62 -8.660 -10.837 -5.716 1.00 0.00 O ATOM 942 CB GLU A 62 -9.073 -11.159 -2.767 1.00 0.00 C ATOM 943 CG GLU A 62 -7.985 -11.963 -3.468 1.00 0.00 C ATOM 944 CD GLU A 62 -7.075 -12.617 -2.427 1.00 0.00 C ATOM 945 OE1 GLU A 62 -6.740 -11.953 -1.460 1.00 0.00 O ATOM 946 OE2 GLU A 62 -6.729 -13.772 -2.614 1.00 0.00 O ATOM 0 H GLU A 62 -11.100 -11.448 -3.292 1.00 0.00 H new ATOM 0 HA GLU A 62 -9.508 -9.049 -3.240 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -8.673 -10.728 -1.849 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -9.888 -11.823 -2.478 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -8.435 -12.727 -4.102 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -7.401 -11.312 -4.118 1.00 0.00 H new ATOM 953 N VAL A 63 -8.609 -8.672 -5.342 1.00 0.00 N ATOM 954 CA VAL A 63 -7.939 -8.408 -6.636 1.00 0.00 C ATOM 955 C VAL A 63 -6.458 -8.693 -6.565 1.00 0.00 C ATOM 956 O VAL A 63 -5.801 -8.509 -5.560 1.00 0.00 O ATOM 957 CB VAL A 63 -8.145 -6.951 -6.952 1.00 0.00 C ATOM 958 CG1 VAL A 63 -9.639 -6.640 -6.949 1.00 0.00 C ATOM 959 CG2 VAL A 63 -7.424 -6.096 -5.909 1.00 0.00 C ATOM 0 H VAL A 63 -8.799 -7.845 -4.776 1.00 0.00 H new ATOM 0 HA VAL A 63 -8.362 -9.057 -7.403 1.00 0.00 H new ATOM 0 HB VAL A 63 -7.737 -6.725 -7.937 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -9.792 -5.585 -7.178 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -10.139 -7.250 -7.701 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -10.055 -6.862 -5.966 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -7.573 -5.041 -6.138 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -7.826 -6.313 -4.919 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -6.358 -6.324 -5.926 1.00 0.00 H new ATOM 969 N ASP A 64 -5.968 -9.204 -7.630 1.00 0.00 N ATOM 970 CA ASP A 64 -4.575 -9.607 -7.728 1.00 0.00 C ATOM 971 C ASP A 64 -4.009 -9.213 -9.082 1.00 0.00 C ATOM 972 O ASP A 64 -3.998 -9.985 -10.021 1.00 0.00 O ATOM 973 CB ASP A 64 -4.819 -11.051 -7.719 1.00 0.00 C ATOM 974 CG ASP A 64 -3.577 -11.822 -7.271 1.00 0.00 C ATOM 975 OD1 ASP A 64 -2.708 -11.209 -6.674 1.00 0.00 O ATOM 976 OD2 ASP A 64 -3.517 -13.013 -7.530 1.00 0.00 O ATOM 0 H ASP A 64 -6.509 -9.365 -8.479 1.00 0.00 H new ATOM 0 HA ASP A 64 -3.891 -9.198 -6.985 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -5.650 -11.277 -7.051 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -5.113 -11.378 -8.716 1.00 0.00 H new ATOM 981 N VAL A 65 -3.560 -8.022 -9.183 1.00 0.00 N ATOM 982 CA VAL A 65 -2.999 -7.545 -10.489 1.00 0.00 C ATOM 983 C VAL A 65 -1.972 -6.428 -10.262 1.00 0.00 C ATOM 984 O VAL A 65 -2.090 -5.678 -9.313 1.00 0.00 O ATOM 985 CB VAL A 65 -4.211 -7.011 -11.262 1.00 0.00 C ATOM 986 CG1 VAL A 65 -4.770 -5.777 -10.548 1.00 0.00 C ATOM 987 CG2 VAL A 65 -3.789 -6.623 -12.682 1.00 0.00 C ATOM 0 H VAL A 65 -3.547 -7.337 -8.427 1.00 0.00 H new ATOM 0 HA VAL A 65 -2.481 -8.338 -11.028 1.00 0.00 H new ATOM 0 HB VAL A 65 -4.976 -7.787 -11.309 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -5.631 -5.398 -11.098 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -5.075 -6.048 -9.537 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -4.002 -5.005 -10.500 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -4.653 -6.244 -13.228 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -3.022 -5.850 -12.635 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -3.391 -7.498 -13.195 1.00 0.00 H new ATOM 997 N PRO A 66 -0.992 -6.333 -11.139 1.00 0.00 N ATOM 998 CA PRO A 66 0.030 -5.276 -10.990 1.00 0.00 C ATOM 999 C PRO A 66 -0.542 -3.924 -11.304 1.00 0.00 C ATOM 1000 O PRO A 66 -1.313 -3.713 -12.220 1.00 0.00 O ATOM 1001 CB PRO A 66 1.122 -5.654 -11.970 1.00 0.00 C ATOM 1002 CG PRO A 66 0.441 -6.494 -13.002 1.00 0.00 C ATOM 1003 CD PRO A 66 -0.732 -7.169 -12.328 1.00 0.00 C ATOM 0 HA PRO A 66 0.405 -5.208 -9.969 1.00 0.00 H new ATOM 0 HB2 PRO A 66 1.575 -4.769 -12.417 1.00 0.00 H new ATOM 0 HB3 PRO A 66 1.922 -6.206 -11.476 1.00 0.00 H new ATOM 0 HG2 PRO A 66 0.103 -5.879 -13.836 1.00 0.00 H new ATOM 0 HG3 PRO A 66 1.129 -7.235 -13.410 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -1.601 -7.209 -12.985 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -0.495 -8.196 -12.050 1.00 0.00 H new ATOM 1011 N GLY A 67 -0.155 -3.029 -10.489 1.00 0.00 N ATOM 1012 CA GLY A 67 -0.638 -1.609 -10.605 1.00 0.00 C ATOM 1013 C GLY A 67 0.486 -0.650 -11.068 1.00 0.00 C ATOM 1014 O GLY A 67 0.470 -0.173 -12.185 1.00 0.00 O ATOM 0 H GLY A 67 0.492 -3.197 -9.718 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -1.467 -1.564 -11.312 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -1.023 -1.277 -9.641 1.00 0.00 H new ATOM 1018 N ILE A 68 1.460 -0.346 -10.236 1.00 0.00 N ATOM 1019 CA ILE A 68 2.535 0.605 -10.663 1.00 0.00 C ATOM 1020 C ILE A 68 3.878 -0.122 -10.683 1.00 0.00 C ATOM 1021 O ILE A 68 3.940 -1.323 -10.857 1.00 0.00 O ATOM 1022 CB ILE A 68 2.518 1.691 -9.577 1.00 0.00 C ATOM 1023 CG1 ILE A 68 3.057 2.977 -10.147 1.00 0.00 C ATOM 1024 CG2 ILE A 68 3.362 1.266 -8.367 1.00 0.00 C ATOM 1025 CD1 ILE A 68 1.884 3.858 -10.568 1.00 0.00 C ATOM 0 H ILE A 68 1.554 -0.713 -9.289 1.00 0.00 H new ATOM 0 HA ILE A 68 2.382 1.017 -11.661 1.00 0.00 H new ATOM 0 HB ILE A 68 1.490 1.837 -9.244 1.00 0.00 H new ATOM 0 HG12 ILE A 68 3.668 3.491 -9.406 1.00 0.00 H new ATOM 0 HG13 ILE A 68 3.700 2.770 -11.003 1.00 0.00 H new ATOM 0 HG21 ILE A 68 3.335 2.051 -7.611 1.00 0.00 H new ATOM 0 HG22 ILE A 68 2.959 0.344 -7.948 1.00 0.00 H new ATOM 0 HG23 ILE A 68 4.392 1.101 -8.682 1.00 0.00 H new ATOM 0 HD11 ILE A 68 2.261 4.793 -10.983 1.00 0.00 H new ATOM 0 HD12 ILE A 68 1.292 3.340 -11.322 1.00 0.00 H new ATOM 0 HD13 ILE A 68 1.260 4.072 -9.700 1.00 0.00 H new ATOM 1037 N ASP A 69 4.943 0.578 -10.452 1.00 0.00 N ATOM 1038 CA ASP A 69 6.261 -0.117 -10.403 1.00 0.00 C ATOM 1039 C ASP A 69 6.661 -0.183 -8.959 1.00 0.00 C ATOM 1040 O ASP A 69 6.332 0.670 -8.158 1.00 0.00 O ATOM 1041 CB ASP A 69 7.282 0.675 -11.196 1.00 0.00 C ATOM 1042 CG ASP A 69 8.691 0.282 -10.741 1.00 0.00 C ATOM 1043 OD1 ASP A 69 9.051 0.629 -9.628 1.00 0.00 O ATOM 1044 OD2 ASP A 69 9.385 -0.358 -11.513 1.00 0.00 O ATOM 0 H ASP A 69 4.966 1.586 -10.296 1.00 0.00 H new ATOM 0 HA ASP A 69 6.202 -1.117 -10.834 1.00 0.00 H new ATOM 0 HB2 ASP A 69 7.164 0.479 -12.262 1.00 0.00 H new ATOM 0 HB3 ASP A 69 7.125 1.744 -11.049 1.00 0.00 H new ATOM 1049 N PRO A 70 7.257 -1.272 -8.674 1.00 0.00 N ATOM 1050 CA PRO A 70 7.630 -1.639 -7.331 1.00 0.00 C ATOM 1051 C PRO A 70 9.117 -1.525 -7.053 1.00 0.00 C ATOM 1052 O PRO A 70 9.563 -1.744 -5.951 1.00 0.00 O ATOM 1053 CB PRO A 70 7.193 -3.091 -7.353 1.00 0.00 C ATOM 1054 CG PRO A 70 7.101 -3.468 -8.840 1.00 0.00 C ATOM 1055 CD PRO A 70 7.676 -2.330 -9.567 1.00 0.00 C ATOM 0 HA PRO A 70 7.192 -1.005 -6.560 1.00 0.00 H new ATOM 0 HB2 PRO A 70 7.910 -3.725 -6.831 1.00 0.00 H new ATOM 0 HB3 PRO A 70 6.232 -3.219 -6.855 1.00 0.00 H new ATOM 0 HG2 PRO A 70 7.652 -4.385 -9.047 1.00 0.00 H new ATOM 0 HG3 PRO A 70 6.067 -3.643 -9.138 1.00 0.00 H new ATOM 0 HD2 PRO A 70 8.759 -2.395 -9.667 1.00 0.00 H new ATOM 0 HD3 PRO A 70 7.269 -2.221 -10.572 1.00 0.00 H new ATOM 1063 N ASN A 71 9.891 -1.189 -8.022 1.00 0.00 N ATOM 1064 CA ASN A 71 11.341 -1.083 -7.777 1.00 0.00 C ATOM 1065 C ASN A 71 11.735 0.385 -7.845 1.00 0.00 C ATOM 1066 O ASN A 71 12.093 0.896 -8.887 1.00 0.00 O ATOM 1067 CB ASN A 71 12.015 -1.879 -8.890 1.00 0.00 C ATOM 1068 CG ASN A 71 11.104 -3.016 -9.380 1.00 0.00 C ATOM 1069 OD1 ASN A 71 10.512 -3.790 -8.510 1.00 0.00 O flip ATOM 1070 ND2 ASN A 71 10.931 -3.197 -10.569 1.00 0.00 N flip ATOM 0 H ASN A 71 9.588 -0.982 -8.974 1.00 0.00 H new ATOM 0 HA ASN A 71 11.634 -1.468 -6.801 1.00 0.00 H new ATOM 0 HB2 ASN A 71 12.256 -1.217 -9.722 1.00 0.00 H new ATOM 0 HB3 ASN A 71 12.957 -2.292 -8.528 1.00 0.00 H new ATOM 0 HD21 ASN A 71 11.393 -2.593 -11.249 1.00 0.00 H new ATOM 0 HD22 ASN A 71 10.324 -3.953 -10.887 1.00 0.00 H new ATOM 1077 N ALA A 72 11.667 1.073 -6.743 1.00 0.00 N ATOM 1078 CA ALA A 72 12.034 2.509 -6.749 1.00 0.00 C ATOM 1079 C ALA A 72 13.554 2.639 -6.738 1.00 0.00 C ATOM 1080 O ALA A 72 14.087 3.714 -6.540 1.00 0.00 O ATOM 1081 CB ALA A 72 11.435 3.090 -5.468 1.00 0.00 C ATOM 0 H ALA A 72 11.373 0.702 -5.840 1.00 0.00 H new ATOM 0 HA ALA A 72 11.663 3.032 -7.631 1.00 0.00 H new ATOM 0 HB1 ALA A 72 11.668 4.153 -5.407 1.00 0.00 H new ATOM 0 HB2 ALA A 72 10.353 2.956 -5.479 1.00 0.00 H new ATOM 0 HB3 ALA A 72 11.856 2.576 -4.604 1.00 0.00 H new ATOM 1087 N CYS A 73 14.270 1.558 -6.942 1.00 0.00 N ATOM 1088 CA CYS A 73 15.728 1.654 -6.931 1.00 0.00 C ATOM 1089 C CYS A 73 16.171 2.250 -8.246 1.00 0.00 C ATOM 1090 O CYS A 73 17.171 2.936 -8.330 1.00 0.00 O ATOM 1091 CB CYS A 73 16.149 0.214 -6.770 1.00 0.00 C ATOM 1092 SG CYS A 73 17.852 -0.025 -7.338 1.00 0.00 S ATOM 0 H CYS A 73 13.892 0.626 -7.113 1.00 0.00 H new ATOM 0 HA CYS A 73 16.157 2.285 -6.153 1.00 0.00 H new ATOM 0 HB2 CYS A 73 16.065 -0.079 -5.724 1.00 0.00 H new ATOM 0 HB3 CYS A 73 15.478 -0.431 -7.337 1.00 0.00 H new ATOM 1097 N HIS A 74 15.387 2.062 -9.261 1.00 0.00 N ATOM 1098 CA HIS A 74 15.719 2.692 -10.536 1.00 0.00 C ATOM 1099 C HIS A 74 15.249 4.146 -10.491 1.00 0.00 C ATOM 1100 O HIS A 74 15.318 4.861 -11.471 1.00 0.00 O ATOM 1101 CB HIS A 74 15.040 1.941 -11.681 1.00 0.00 C ATOM 1102 CG HIS A 74 14.725 0.537 -11.284 1.00 0.00 C ATOM 1103 ND1 HIS A 74 15.579 -0.165 -10.480 1.00 0.00 N ATOM 1104 CD2 HIS A 74 13.698 -0.318 -11.595 1.00 0.00 C ATOM 1105 CE1 HIS A 74 15.074 -1.402 -10.322 1.00 0.00 C ATOM 1106 NE2 HIS A 74 13.923 -1.551 -10.985 1.00 0.00 N ATOM 0 H HIS A 74 14.536 1.500 -9.253 1.00 0.00 H new ATOM 0 HA HIS A 74 16.795 2.661 -10.705 1.00 0.00 H new ATOM 0 HB2 HIS A 74 14.123 2.457 -11.967 1.00 0.00 H new ATOM 0 HB3 HIS A 74 15.690 1.939 -12.556 1.00 0.00 H new ATOM 0 HD2 HIS A 74 12.848 -0.074 -12.215 1.00 0.00 H new ATOM 0 HE1 HIS A 74 15.540 -2.178 -9.733 1.00 0.00 H new ATOM 0 HE2 HIS A 74 13.337 -2.385 -11.034 1.00 0.00 H new ATOM 1114 N TYR A 75 14.820 4.600 -9.329 1.00 0.00 N ATOM 1115 CA TYR A 75 14.387 5.989 -9.175 1.00 0.00 C ATOM 1116 C TYR A 75 15.030 6.601 -7.928 1.00 0.00 C ATOM 1117 O TYR A 75 14.849 7.772 -7.655 1.00 0.00 O ATOM 1118 CB TYR A 75 12.844 6.066 -9.064 1.00 0.00 C ATOM 1119 CG TYR A 75 12.108 4.938 -9.812 1.00 0.00 C ATOM 1120 CD1 TYR A 75 12.517 4.543 -11.095 1.00 0.00 C ATOM 1121 CD2 TYR A 75 10.969 4.323 -9.242 1.00 0.00 C ATOM 1122 CE1 TYR A 75 11.808 3.562 -11.796 1.00 0.00 C ATOM 1123 CE2 TYR A 75 10.272 3.329 -9.950 1.00 0.00 C ATOM 1124 CZ TYR A 75 10.695 2.958 -11.229 1.00 0.00 C ATOM 1125 OH TYR A 75 10.007 2.004 -11.942 1.00 0.00 O ATOM 0 H TYR A 75 14.759 4.038 -8.480 1.00 0.00 H new ATOM 0 HA TYR A 75 14.702 6.551 -10.054 1.00 0.00 H new ATOM 0 HB2 TYR A 75 12.563 6.034 -8.011 1.00 0.00 H new ATOM 0 HB3 TYR A 75 12.509 7.027 -9.455 1.00 0.00 H new ATOM 0 HD1 TYR A 75 13.386 5.000 -11.545 1.00 0.00 H new ATOM 0 HD2 TYR A 75 10.634 4.618 -8.259 1.00 0.00 H new ATOM 0 HE1 TYR A 75 12.129 3.273 -12.786 1.00 0.00 H new ATOM 0 HE2 TYR A 75 9.410 2.852 -9.506 1.00 0.00 H new ATOM 0 HH TYR A 75 10.410 1.125 -11.785 1.00 0.00 H new ATOM 1135 N MET A 76 15.797 5.850 -7.166 1.00 0.00 N ATOM 1136 CA MET A 76 16.418 6.461 -5.989 1.00 0.00 C ATOM 1137 C MET A 76 17.652 5.729 -5.498 1.00 0.00 C ATOM 1138 O MET A 76 17.711 4.524 -5.351 1.00 0.00 O ATOM 1139 CB MET A 76 15.357 6.568 -4.920 1.00 0.00 C ATOM 1140 CG MET A 76 15.206 5.241 -4.346 1.00 0.00 C ATOM 1141 SD MET A 76 13.462 4.869 -4.034 1.00 0.00 S ATOM 1142 CE MET A 76 13.716 3.408 -2.999 1.00 0.00 C ATOM 0 H MET A 76 16.005 4.863 -7.320 1.00 0.00 H new ATOM 0 HA MET A 76 16.791 7.449 -6.261 1.00 0.00 H new ATOM 0 HB2 MET A 76 15.649 7.289 -4.156 1.00 0.00 H new ATOM 0 HB3 MET A 76 14.415 6.916 -5.344 1.00 0.00 H new ATOM 0 HG2 MET A 76 15.625 4.497 -5.023 1.00 0.00 H new ATOM 0 HG3 MET A 76 15.768 5.177 -3.414 1.00 0.00 H new ATOM 0 HE1 MET A 76 12.763 3.093 -2.573 1.00 0.00 H new ATOM 0 HE2 MET A 76 14.127 2.600 -3.604 1.00 0.00 H new ATOM 0 HE3 MET A 76 14.411 3.648 -2.194 1.00 0.00 H new ATOM 1152 N LYS A 77 18.628 6.534 -5.279 1.00 0.00 N ATOM 1153 CA LYS A 77 19.964 6.119 -4.813 1.00 0.00 C ATOM 1154 C LYS A 77 19.989 4.734 -4.247 1.00 0.00 C ATOM 1155 O LYS A 77 19.743 4.471 -3.091 1.00 0.00 O ATOM 1156 CB LYS A 77 20.404 7.163 -3.785 1.00 0.00 C ATOM 1157 CG LYS A 77 19.252 7.460 -2.822 1.00 0.00 C ATOM 1158 CD LYS A 77 19.580 6.881 -1.448 1.00 0.00 C ATOM 1159 CE LYS A 77 18.565 7.387 -0.416 1.00 0.00 C ATOM 1160 NZ LYS A 77 18.396 8.839 -0.706 1.00 0.00 N ATOM 0 H LYS A 77 18.548 7.542 -5.415 1.00 0.00 H new ATOM 0 HA LYS A 77 20.654 6.075 -5.655 1.00 0.00 H new ATOM 0 HB2 LYS A 77 21.269 6.799 -3.231 1.00 0.00 H new ATOM 0 HB3 LYS A 77 20.712 8.078 -4.291 1.00 0.00 H new ATOM 0 HG2 LYS A 77 19.094 8.536 -2.747 1.00 0.00 H new ATOM 0 HG3 LYS A 77 18.326 7.027 -3.200 1.00 0.00 H new ATOM 0 HD2 LYS A 77 19.560 5.792 -1.488 1.00 0.00 H new ATOM 0 HD3 LYS A 77 20.588 7.171 -1.152 1.00 0.00 H new ATOM 0 HE2 LYS A 77 17.617 6.856 -0.504 1.00 0.00 H new ATOM 0 HE3 LYS A 77 18.926 7.229 0.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 18.003 9.317 0.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 19.319 9.256 -0.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 17.747 8.959 -1.510 1.00 0.00 H new ATOM 1174 N CYS A 78 20.321 3.879 -5.121 1.00 0.00 N ATOM 1175 CA CYS A 78 20.448 2.444 -4.854 1.00 0.00 C ATOM 1176 C CYS A 78 21.941 2.062 -4.831 1.00 0.00 C ATOM 1177 O CYS A 78 22.712 2.624 -5.582 1.00 0.00 O ATOM 1178 CB CYS A 78 19.779 1.895 -6.064 1.00 0.00 C ATOM 1179 SG CYS A 78 18.988 0.315 -5.702 1.00 0.00 S ATOM 0 H CYS A 78 20.527 4.130 -6.088 1.00 0.00 H new ATOM 0 HA CYS A 78 20.032 2.095 -3.909 1.00 0.00 H new ATOM 0 HB2 CYS A 78 19.035 2.604 -6.426 1.00 0.00 H new ATOM 0 HB3 CYS A 78 20.511 1.766 -6.862 1.00 0.00 H new ATOM 1184 N PRO A 79 22.323 1.133 -3.987 1.00 0.00 N ATOM 1185 CA PRO A 79 21.388 0.449 -3.072 1.00 0.00 C ATOM 1186 C PRO A 79 21.075 1.298 -1.840 1.00 0.00 C ATOM 1187 O PRO A 79 21.704 2.299 -1.559 1.00 0.00 O ATOM 1188 CB PRO A 79 22.146 -0.810 -2.659 1.00 0.00 C ATOM 1189 CG PRO A 79 23.568 -0.518 -2.861 1.00 0.00 C ATOM 1190 CD PRO A 79 23.692 0.642 -3.821 1.00 0.00 C ATOM 0 HA PRO A 79 20.427 0.248 -3.546 1.00 0.00 H new ATOM 0 HB2 PRO A 79 21.945 -1.061 -1.618 1.00 0.00 H new ATOM 0 HB3 PRO A 79 21.836 -1.665 -3.259 1.00 0.00 H new ATOM 0 HG2 PRO A 79 24.043 -0.274 -1.910 1.00 0.00 H new ATOM 0 HG3 PRO A 79 24.081 -1.394 -3.258 1.00 0.00 H new ATOM 0 HD2 PRO A 79 24.346 1.418 -3.423 1.00 0.00 H new ATOM 0 HD3 PRO A 79 24.117 0.325 -4.773 1.00 0.00 H new ATOM 1198 N LEU A 80 20.084 0.877 -1.123 1.00 0.00 N ATOM 1199 CA LEU A 80 19.628 1.579 0.101 1.00 0.00 C ATOM 1200 C LEU A 80 20.299 0.998 1.354 1.00 0.00 C ATOM 1201 O LEU A 80 20.308 -0.207 1.587 1.00 0.00 O ATOM 1202 CB LEU A 80 18.119 1.324 0.092 1.00 0.00 C ATOM 1203 CG LEU A 80 17.461 2.173 -1.003 1.00 0.00 C ATOM 1204 CD1 LEU A 80 18.445 2.519 -2.139 1.00 0.00 C ATOM 1205 CD2 LEU A 80 16.295 1.397 -1.601 1.00 0.00 C ATOM 0 H LEU A 80 19.547 0.038 -1.344 1.00 0.00 H new ATOM 0 HA LEU A 80 19.879 2.639 0.117 1.00 0.00 H new ATOM 0 HB2 LEU A 80 17.920 0.267 -0.084 1.00 0.00 H new ATOM 0 HB3 LEU A 80 17.692 1.571 1.064 1.00 0.00 H new ATOM 0 HG LEU A 80 17.127 3.103 -0.543 1.00 0.00 H new ATOM 0 HD11 LEU A 80 17.935 3.121 -2.891 1.00 0.00 H new ATOM 0 HD12 LEU A 80 19.286 3.081 -1.733 1.00 0.00 H new ATOM 0 HD13 LEU A 80 18.810 1.600 -2.596 1.00 0.00 H new ATOM 0 HD21 LEU A 80 15.822 1.994 -2.380 1.00 0.00 H new ATOM 0 HD22 LEU A 80 16.661 0.464 -2.030 1.00 0.00 H new ATOM 0 HD23 LEU A 80 15.567 1.176 -0.821 1.00 0.00 H new ATOM 1217 N VAL A 81 20.883 1.870 2.139 1.00 0.00 N ATOM 1218 CA VAL A 81 21.580 1.465 3.367 1.00 0.00 C ATOM 1219 C VAL A 81 20.781 1.796 4.617 1.00 0.00 C ATOM 1220 O VAL A 81 20.075 2.773 4.735 1.00 0.00 O ATOM 1221 CB VAL A 81 22.918 2.178 3.371 1.00 0.00 C ATOM 1222 CG1 VAL A 81 23.935 1.326 4.128 1.00 0.00 C ATOM 1223 CG2 VAL A 81 23.411 2.403 1.936 1.00 0.00 C ATOM 0 H VAL A 81 20.897 2.874 1.960 1.00 0.00 H new ATOM 0 HA VAL A 81 21.712 0.383 3.379 1.00 0.00 H new ATOM 0 HB VAL A 81 22.803 3.147 3.857 1.00 0.00 H new ATOM 0 HG11 VAL A 81 24.900 1.832 4.135 1.00 0.00 H new ATOM 0 HG12 VAL A 81 23.595 1.178 5.153 1.00 0.00 H new ATOM 0 HG13 VAL A 81 24.037 0.358 3.637 1.00 0.00 H new ATOM 0 HG21 VAL A 81 24.373 2.916 1.958 1.00 0.00 H new ATOM 0 HG22 VAL A 81 23.524 1.442 1.435 1.00 0.00 H new ATOM 0 HG23 VAL A 81 22.687 3.012 1.394 1.00 0.00 H new ATOM 1233 N LYS A 82 20.870 0.871 5.487 1.00 0.00 N ATOM 1234 CA LYS A 82 20.136 0.836 6.789 1.00 0.00 C ATOM 1235 C LYS A 82 20.111 2.118 7.592 1.00 0.00 C ATOM 1236 O LYS A 82 21.103 2.664 8.035 1.00 0.00 O ATOM 1237 CB LYS A 82 20.791 -0.293 7.550 1.00 0.00 C ATOM 1238 CG LYS A 82 19.986 -0.729 8.764 1.00 0.00 C ATOM 1239 CD LYS A 82 20.556 -0.181 9.960 1.00 0.00 C ATOM 1240 CE LYS A 82 21.713 -1.062 10.229 1.00 0.00 C ATOM 1241 NZ LYS A 82 22.470 -0.438 11.347 1.00 0.00 N ATOM 0 H LYS A 82 21.471 0.058 5.353 1.00 0.00 H new ATOM 0 HA LYS A 82 19.073 0.691 6.597 1.00 0.00 H new ATOM 0 HB2 LYS A 82 20.925 -1.145 6.883 1.00 0.00 H new ATOM 0 HB3 LYS A 82 21.784 0.020 7.871 1.00 0.00 H new ATOM 0 HG2 LYS A 82 18.952 -0.399 8.661 1.00 0.00 H new ATOM 0 HG3 LYS A 82 19.969 -1.817 8.826 1.00 0.00 H new ATOM 0 HD2 LYS A 82 20.865 0.855 9.819 1.00 0.00 H new ATOM 0 HD3 LYS A 82 19.844 -0.192 10.785 1.00 0.00 H new ATOM 0 HE2 LYS A 82 21.382 -2.065 10.497 1.00 0.00 H new ATOM 0 HE3 LYS A 82 22.340 -1.160 9.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 23.298 -1.024 11.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 22.785 0.512 11.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 21.857 -0.365 12.184 1.00 0.00 H new ATOM 1255 N GLY A 83 18.905 2.545 7.776 1.00 0.00 N ATOM 1256 CA GLY A 83 18.571 3.755 8.548 1.00 0.00 C ATOM 1257 C GLY A 83 18.012 4.769 7.599 1.00 0.00 C ATOM 1258 O GLY A 83 17.381 5.738 7.973 1.00 0.00 O ATOM 0 H GLY A 83 18.087 2.070 7.396 1.00 0.00 H new ATOM 0 HA2 GLY A 83 17.846 3.522 9.327 1.00 0.00 H new ATOM 0 HA3 GLY A 83 19.458 4.147 9.045 1.00 0.00 H new ATOM 1262 N GLN A 84 18.239 4.532 6.365 1.00 0.00 N ATOM 1263 CA GLN A 84 17.733 5.441 5.351 1.00 0.00 C ATOM 1264 C GLN A 84 16.269 5.268 5.145 1.00 0.00 C ATOM 1265 O GLN A 84 15.751 4.193 4.886 1.00 0.00 O ATOM 1266 CB GLN A 84 18.494 5.243 4.072 1.00 0.00 C ATOM 1267 CG GLN A 84 19.961 5.593 4.302 1.00 0.00 C ATOM 1268 CD GLN A 84 20.687 5.816 2.955 1.00 0.00 C ATOM 1269 OE1 GLN A 84 20.028 5.814 1.804 1.00 0.00 O flip ATOM 1270 NE2 GLN A 84 21.888 5.996 2.943 1.00 0.00 N flip ATOM 0 H GLN A 84 18.763 3.732 6.011 1.00 0.00 H new ATOM 0 HA GLN A 84 17.883 6.465 5.693 1.00 0.00 H new ATOM 0 HB2 GLN A 84 18.402 4.210 3.737 1.00 0.00 H new ATOM 0 HB3 GLN A 84 18.077 5.872 3.285 1.00 0.00 H new ATOM 0 HG2 GLN A 84 20.034 6.492 4.913 1.00 0.00 H new ATOM 0 HG3 GLN A 84 20.449 4.791 4.856 1.00 0.00 H new ATOM 0 HE21 GLN A 84 22.412 6.001 3.818 1.00 0.00 H new ATOM 0 HE22 GLN A 84 22.373 6.142 2.058 1.00 0.00 H new ATOM 1279 N GLN A 85 15.614 6.352 5.256 1.00 0.00 N ATOM 1280 CA GLN A 85 14.141 6.352 5.050 1.00 0.00 C ATOM 1281 C GLN A 85 13.880 5.995 3.609 1.00 0.00 C ATOM 1282 O GLN A 85 14.628 6.338 2.716 1.00 0.00 O ATOM 1283 CB GLN A 85 13.619 7.747 5.364 1.00 0.00 C ATOM 1284 CG GLN A 85 13.338 7.870 6.867 1.00 0.00 C ATOM 1285 CD GLN A 85 13.496 9.340 7.312 1.00 0.00 C ATOM 1286 OE1 GLN A 85 13.596 10.312 6.421 1.00 0.00 O flip ATOM 1287 NE2 GLN A 85 13.529 9.614 8.494 1.00 0.00 N flip ATOM 0 H GLN A 85 16.022 7.259 5.483 1.00 0.00 H new ATOM 0 HA GLN A 85 13.639 5.633 5.697 1.00 0.00 H new ATOM 0 HB2 GLN A 85 14.350 8.496 5.059 1.00 0.00 H new ATOM 0 HB3 GLN A 85 12.708 7.941 4.797 1.00 0.00 H new ATOM 0 HG2 GLN A 85 12.329 7.521 7.087 1.00 0.00 H new ATOM 0 HG3 GLN A 85 14.025 7.235 7.427 1.00 0.00 H new ATOM 0 HE21 GLN A 85 13.453 8.874 9.191 1.00 0.00 H new ATOM 0 HE22 GLN A 85 13.633 10.585 8.790 1.00 0.00 H new ATOM 1296 N TYR A 86 12.834 5.295 3.390 1.00 0.00 N ATOM 1297 CA TYR A 86 12.489 4.866 2.032 1.00 0.00 C ATOM 1298 C TYR A 86 10.994 4.934 1.899 1.00 0.00 C ATOM 1299 O TYR A 86 10.250 4.416 2.709 1.00 0.00 O ATOM 1300 CB TYR A 86 13.002 3.437 1.928 1.00 0.00 C ATOM 1301 CG TYR A 86 14.504 3.518 1.897 1.00 0.00 C ATOM 1302 CD1 TYR A 86 15.109 4.458 1.057 1.00 0.00 C ATOM 1303 CD2 TYR A 86 15.298 2.692 2.699 1.00 0.00 C ATOM 1304 CE1 TYR A 86 16.483 4.576 1.009 1.00 0.00 C ATOM 1305 CE2 TYR A 86 16.683 2.812 2.649 1.00 0.00 C ATOM 1306 CZ TYR A 86 17.279 3.753 1.805 1.00 0.00 C ATOM 1307 OH TYR A 86 18.650 3.859 1.753 1.00 0.00 O ATOM 0 H TYR A 86 12.182 4.991 4.113 1.00 0.00 H new ATOM 0 HA TYR A 86 12.922 5.482 1.243 1.00 0.00 H new ATOM 0 HB2 TYR A 86 12.664 2.842 2.776 1.00 0.00 H new ATOM 0 HB3 TYR A 86 12.622 2.954 1.028 1.00 0.00 H new ATOM 0 HD1 TYR A 86 14.495 5.098 0.440 1.00 0.00 H new ATOM 0 HD2 TYR A 86 14.839 1.966 3.353 1.00 0.00 H new ATOM 0 HE1 TYR A 86 16.941 5.304 0.356 1.00 0.00 H new ATOM 0 HE2 TYR A 86 17.300 2.175 3.265 1.00 0.00 H new ATOM 0 HH TYR A 86 18.900 4.792 1.585 1.00 0.00 H new ATOM 1317 N ASP A 87 10.557 5.610 0.909 1.00 0.00 N ATOM 1318 CA ASP A 87 9.101 5.772 0.729 1.00 0.00 C ATOM 1319 C ASP A 87 8.657 5.135 -0.570 1.00 0.00 C ATOM 1320 O ASP A 87 9.226 5.323 -1.625 1.00 0.00 O ATOM 1321 CB ASP A 87 8.836 7.289 0.720 1.00 0.00 C ATOM 1322 CG ASP A 87 9.914 7.989 -0.111 1.00 0.00 C ATOM 1323 OD1 ASP A 87 10.135 7.567 -1.235 1.00 0.00 O ATOM 1324 OD2 ASP A 87 10.501 8.932 0.391 1.00 0.00 O ATOM 0 H ASP A 87 11.140 6.065 0.206 1.00 0.00 H new ATOM 0 HA ASP A 87 8.541 5.284 1.527 1.00 0.00 H new ATOM 0 HB2 ASP A 87 7.850 7.494 0.304 1.00 0.00 H new ATOM 0 HB3 ASP A 87 8.839 7.676 1.739 1.00 0.00 H new ATOM 1329 N ILE A 88 7.621 4.381 -0.460 1.00 0.00 N ATOM 1330 CA ILE A 88 7.047 3.682 -1.632 1.00 0.00 C ATOM 1331 C ILE A 88 5.774 4.406 -2.048 1.00 0.00 C ATOM 1332 O ILE A 88 5.174 5.143 -1.285 1.00 0.00 O ATOM 1333 CB ILE A 88 6.754 2.253 -1.166 1.00 0.00 C ATOM 1334 CG1 ILE A 88 6.675 1.331 -2.374 1.00 0.00 C ATOM 1335 CG2 ILE A 88 5.459 2.224 -0.339 1.00 0.00 C ATOM 1336 CD1 ILE A 88 5.734 0.153 -2.121 1.00 0.00 C ATOM 0 H ILE A 88 7.129 4.211 0.417 1.00 0.00 H new ATOM 0 HA ILE A 88 7.716 3.667 -2.492 1.00 0.00 H new ATOM 0 HB ILE A 88 7.561 1.899 -0.524 1.00 0.00 H new ATOM 0 HG12 ILE A 88 6.329 1.894 -3.241 1.00 0.00 H new ATOM 0 HG13 ILE A 88 7.671 0.957 -2.613 1.00 0.00 H new ATOM 0 HG21 ILE A 88 5.259 1.204 -0.012 1.00 0.00 H new ATOM 0 HG22 ILE A 88 5.569 2.869 0.533 1.00 0.00 H new ATOM 0 HG23 ILE A 88 4.629 2.579 -0.950 1.00 0.00 H new ATOM 0 HD11 ILE A 88 5.703 -0.484 -3.005 1.00 0.00 H new ATOM 0 HD12 ILE A 88 6.095 -0.425 -1.270 1.00 0.00 H new ATOM 0 HD13 ILE A 88 4.733 0.527 -1.907 1.00 0.00 H new ATOM 1348 N LYS A 89 5.386 4.216 -3.263 1.00 0.00 N ATOM 1349 CA LYS A 89 4.173 4.908 -3.783 1.00 0.00 C ATOM 1350 C LYS A 89 3.396 4.020 -4.756 1.00 0.00 C ATOM 1351 O LYS A 89 3.971 3.269 -5.519 1.00 0.00 O ATOM 1352 CB LYS A 89 4.735 6.119 -4.520 1.00 0.00 C ATOM 1353 CG LYS A 89 4.158 7.398 -3.919 1.00 0.00 C ATOM 1354 CD LYS A 89 3.561 8.264 -5.033 1.00 0.00 C ATOM 1355 CE LYS A 89 2.468 9.166 -4.456 1.00 0.00 C ATOM 1356 NZ LYS A 89 1.247 8.846 -5.247 1.00 0.00 N ATOM 0 H LYS A 89 5.856 3.607 -3.933 1.00 0.00 H new ATOM 0 HA LYS A 89 3.476 5.167 -2.986 1.00 0.00 H new ATOM 0 HB2 LYS A 89 5.822 6.129 -4.447 1.00 0.00 H new ATOM 0 HB3 LYS A 89 4.487 6.059 -5.580 1.00 0.00 H new ATOM 0 HG2 LYS A 89 3.391 7.153 -3.184 1.00 0.00 H new ATOM 0 HG3 LYS A 89 4.938 7.949 -3.394 1.00 0.00 H new ATOM 0 HD2 LYS A 89 4.341 8.871 -5.493 1.00 0.00 H new ATOM 0 HD3 LYS A 89 3.146 7.630 -5.817 1.00 0.00 H new ATOM 0 HE2 LYS A 89 2.314 8.970 -3.395 1.00 0.00 H new ATOM 0 HE3 LYS A 89 2.735 10.219 -4.550 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 0.453 9.426 -4.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 1.421 9.049 -6.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 1.013 7.839 -5.133 1.00 0.00 H new ATOM 1370 N TYR A 90 2.091 4.119 -4.758 1.00 0.00 N ATOM 1371 CA TYR A 90 1.289 3.298 -5.712 1.00 0.00 C ATOM 1372 C TYR A 90 0.060 4.087 -6.174 1.00 0.00 C ATOM 1373 O TYR A 90 -0.863 4.285 -5.393 1.00 0.00 O ATOM 1374 CB TYR A 90 0.832 2.063 -4.946 1.00 0.00 C ATOM 1375 CG TYR A 90 -0.170 1.337 -5.830 1.00 0.00 C ATOM 1376 CD1 TYR A 90 0.146 1.132 -7.178 1.00 0.00 C ATOM 1377 CD2 TYR A 90 -1.409 0.902 -5.335 1.00 0.00 C ATOM 1378 CE1 TYR A 90 -0.755 0.497 -8.030 1.00 0.00 C ATOM 1379 CE2 TYR A 90 -2.314 0.261 -6.193 1.00 0.00 C ATOM 1380 CZ TYR A 90 -1.987 0.058 -7.538 1.00 0.00 C ATOM 1381 OH TYR A 90 -2.882 -0.572 -8.378 1.00 0.00 O ATOM 0 H TYR A 90 1.550 4.729 -4.145 1.00 0.00 H new ATOM 0 HA TYR A 90 1.879 3.032 -6.589 1.00 0.00 H new ATOM 0 HB2 TYR A 90 1.679 1.418 -4.713 1.00 0.00 H new ATOM 0 HB3 TYR A 90 0.376 2.345 -3.997 1.00 0.00 H new ATOM 0 HD1 TYR A 90 1.098 1.469 -7.561 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -1.664 1.060 -4.298 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -0.502 0.344 -9.069 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -3.267 -0.077 -5.814 1.00 0.00 H new ATOM 0 HH TYR A 90 -3.422 -1.207 -7.863 1.00 0.00 H new ATOM 1391 N THR A 91 0.021 4.530 -7.404 1.00 0.00 N ATOM 1392 CA THR A 91 -1.168 5.294 -7.900 1.00 0.00 C ATOM 1393 C THR A 91 -1.659 4.631 -9.177 1.00 0.00 C ATOM 1394 O THR A 91 -0.992 4.620 -10.193 1.00 0.00 O ATOM 1395 CB THR A 91 -0.658 6.719 -8.161 1.00 0.00 C ATOM 1396 OG1 THR A 91 -1.617 7.425 -8.936 1.00 0.00 O ATOM 1397 CG2 THR A 91 0.664 6.650 -8.924 1.00 0.00 C ATOM 0 H THR A 91 0.763 4.396 -8.091 1.00 0.00 H new ATOM 0 HA THR A 91 -2.000 5.313 -7.196 1.00 0.00 H new ATOM 0 HB THR A 91 -0.504 7.235 -7.213 1.00 0.00 H new ATOM 0 HG1 THR A 91 -1.296 8.336 -9.103 1.00 0.00 H new ATOM 0 HG21 THR A 91 1.029 7.660 -9.111 1.00 0.00 H new ATOM 0 HG22 THR A 91 1.398 6.103 -8.332 1.00 0.00 H new ATOM 0 HG23 THR A 91 0.510 6.138 -9.874 1.00 0.00 H new ATOM 1405 N TRP A 92 -2.805 4.031 -9.101 1.00 0.00 N ATOM 1406 CA TRP A 92 -3.348 3.299 -10.277 1.00 0.00 C ATOM 1407 C TRP A 92 -4.873 3.464 -10.378 1.00 0.00 C ATOM 1408 O TRP A 92 -5.581 2.996 -9.511 1.00 0.00 O ATOM 1409 CB TRP A 92 -3.028 1.866 -9.930 1.00 0.00 C ATOM 1410 CG TRP A 92 -2.785 1.087 -11.175 1.00 0.00 C ATOM 1411 CD1 TRP A 92 -1.643 1.127 -11.887 1.00 0.00 C ATOM 1412 CD2 TRP A 92 -3.663 0.150 -11.854 1.00 0.00 C ATOM 1413 NE1 TRP A 92 -1.773 0.297 -12.990 1.00 0.00 N ATOM 1414 CE2 TRP A 92 -3.002 -0.332 -13.010 1.00 0.00 C ATOM 1415 CE3 TRP A 92 -4.958 -0.313 -11.589 1.00 0.00 C ATOM 1416 CZ2 TRP A 92 -3.609 -1.244 -13.871 1.00 0.00 C ATOM 1417 CZ3 TRP A 92 -5.572 -1.237 -12.452 1.00 0.00 C ATOM 1418 CH2 TRP A 92 -4.900 -1.699 -13.592 1.00 0.00 C ATOM 0 H TRP A 92 -3.397 4.014 -8.270 1.00 0.00 H new ATOM 0 HA TRP A 92 -2.936 3.647 -11.224 1.00 0.00 H new ATOM 0 HB2 TRP A 92 -2.148 1.826 -9.288 1.00 0.00 H new ATOM 0 HB3 TRP A 92 -3.852 1.425 -9.370 1.00 0.00 H new ATOM 0 HD1 TRP A 92 -0.768 1.710 -11.639 1.00 0.00 H new ATOM 0 HE1 TRP A 92 -1.051 0.167 -13.698 1.00 0.00 H new ATOM 0 HE3 TRP A 92 -5.487 0.042 -10.717 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 -3.085 -1.596 -14.747 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 -6.568 -1.593 -12.235 1.00 0.00 H new ATOM 0 HH2 TRP A 92 -5.379 -2.405 -14.253 1.00 0.00 H new ATOM 1429 N ASN A 93 -5.429 4.106 -11.383 1.00 0.00 N ATOM 1430 CA ASN A 93 -6.908 4.220 -11.386 1.00 0.00 C ATOM 1431 C ASN A 93 -7.529 2.857 -11.786 1.00 0.00 C ATOM 1432 O ASN A 93 -6.886 2.037 -12.410 1.00 0.00 O ATOM 1433 CB ASN A 93 -7.212 5.283 -12.443 1.00 0.00 C ATOM 1434 CG ASN A 93 -6.942 4.708 -13.839 1.00 0.00 C ATOM 1435 OD1 ASN A 93 -5.854 4.850 -14.364 1.00 0.00 O ATOM 1436 ND2 ASN A 93 -7.886 4.058 -14.469 1.00 0.00 N ATOM 0 H ASN A 93 -4.939 4.537 -12.167 1.00 0.00 H new ATOM 0 HA ASN A 93 -7.317 4.489 -10.412 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -8.251 5.603 -12.364 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -6.594 6.165 -12.275 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -7.708 3.673 -15.397 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -8.800 3.936 -14.033 1.00 0.00 H new ATOM 1443 N VAL A 94 -8.762 2.612 -11.416 1.00 0.00 N ATOM 1444 CA VAL A 94 -9.435 1.320 -11.740 1.00 0.00 C ATOM 1445 C VAL A 94 -10.938 1.591 -11.946 1.00 0.00 C ATOM 1446 O VAL A 94 -11.440 2.677 -11.586 1.00 0.00 O ATOM 1447 CB VAL A 94 -9.165 0.404 -10.521 1.00 0.00 C ATOM 1448 CG1 VAL A 94 -10.471 -0.113 -9.891 1.00 0.00 C ATOM 1449 CG2 VAL A 94 -8.337 -0.797 -10.971 1.00 0.00 C ATOM 0 H VAL A 94 -9.340 3.269 -10.892 1.00 0.00 H new ATOM 0 HA VAL A 94 -9.068 0.849 -12.652 1.00 0.00 H new ATOM 0 HB VAL A 94 -8.632 0.993 -9.775 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -10.236 -0.752 -9.039 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -11.073 0.732 -9.556 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -11.030 -0.686 -10.631 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -8.143 -1.446 -10.117 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -8.885 -1.352 -11.732 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -7.390 -0.451 -11.386 1.00 0.00 H new ATOM 1459 N PRO A 95 -11.632 0.601 -12.486 1.00 0.00 N ATOM 1460 CA PRO A 95 -13.057 0.757 -12.776 1.00 0.00 C ATOM 1461 C PRO A 95 -13.730 1.565 -11.706 1.00 0.00 C ATOM 1462 O PRO A 95 -13.239 1.700 -10.596 1.00 0.00 O ATOM 1463 CB PRO A 95 -13.544 -0.685 -12.922 1.00 0.00 C ATOM 1464 CG PRO A 95 -12.462 -1.477 -12.287 1.00 0.00 C ATOM 1465 CD PRO A 95 -11.239 -0.768 -12.782 1.00 0.00 C ATOM 0 HA PRO A 95 -13.286 1.323 -13.679 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -14.501 -0.839 -12.423 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -13.682 -0.959 -13.968 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -12.530 -1.465 -11.199 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -12.483 -2.522 -12.597 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -10.335 -1.070 -12.253 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -11.058 -0.933 -13.844 1.00 0.00 H new ATOM 1473 N LYS A 96 -14.778 2.225 -12.051 1.00 0.00 N ATOM 1474 CA LYS A 96 -15.331 3.116 -11.063 1.00 0.00 C ATOM 1475 C LYS A 96 -16.190 2.448 -9.996 1.00 0.00 C ATOM 1476 O LYS A 96 -16.356 2.951 -8.904 1.00 0.00 O ATOM 1477 CB LYS A 96 -16.058 4.115 -11.811 1.00 0.00 C ATOM 1478 CG LYS A 96 -14.961 5.020 -12.297 1.00 0.00 C ATOM 1479 CD LYS A 96 -14.112 4.293 -13.327 1.00 0.00 C ATOM 1480 CE LYS A 96 -13.485 5.299 -14.297 1.00 0.00 C ATOM 1481 NZ LYS A 96 -12.016 5.098 -14.162 1.00 0.00 N ATOM 0 H LYS A 96 -15.256 2.181 -12.951 1.00 0.00 H new ATOM 0 HA LYS A 96 -14.525 3.547 -10.469 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -16.618 3.676 -12.637 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -16.776 4.647 -11.187 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -15.388 5.922 -12.736 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -14.340 5.337 -11.459 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -13.330 3.722 -12.827 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -14.725 3.579 -13.877 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -13.816 5.120 -15.320 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -13.769 6.321 -14.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -11.516 5.753 -14.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -11.729 5.282 -13.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -11.775 4.119 -14.415 1.00 0.00 H new ATOM 1495 N ILE A 97 -16.761 1.336 -10.321 1.00 0.00 N ATOM 1496 CA ILE A 97 -17.647 0.638 -9.356 1.00 0.00 C ATOM 1497 C ILE A 97 -17.554 -0.898 -9.456 1.00 0.00 C ATOM 1498 O ILE A 97 -18.549 -1.596 -9.454 1.00 0.00 O ATOM 1499 CB ILE A 97 -19.014 1.156 -9.676 1.00 0.00 C ATOM 1500 CG1 ILE A 97 -19.624 1.396 -8.360 1.00 0.00 C ATOM 1501 CG2 ILE A 97 -19.849 0.226 -10.572 1.00 0.00 C ATOM 1502 CD1 ILE A 97 -21.146 1.233 -8.369 1.00 0.00 C ATOM 0 H ILE A 97 -16.654 0.871 -11.223 1.00 0.00 H new ATOM 0 HA ILE A 97 -17.362 0.838 -8.323 1.00 0.00 H new ATOM 0 HB ILE A 97 -18.963 2.061 -10.281 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -19.194 0.705 -7.635 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -19.374 2.403 -8.028 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -20.825 0.676 -10.755 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -19.334 0.077 -11.521 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -19.981 -0.736 -10.076 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -21.538 1.423 -7.370 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -21.584 1.942 -9.071 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -21.401 0.218 -8.672 1.00 0.00 H new ATOM 1514 N ALA A 98 -16.364 -1.437 -9.533 1.00 0.00 N ATOM 1515 CA ALA A 98 -16.222 -2.918 -9.630 1.00 0.00 C ATOM 1516 C ALA A 98 -16.513 -3.577 -8.280 1.00 0.00 C ATOM 1517 O ALA A 98 -17.405 -4.393 -8.171 1.00 0.00 O ATOM 1518 CB ALA A 98 -14.769 -3.172 -10.047 1.00 0.00 C ATOM 0 H ALA A 98 -15.487 -0.916 -9.533 1.00 0.00 H new ATOM 0 HA ALA A 98 -16.926 -3.340 -10.347 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -14.598 -4.245 -10.136 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -14.577 -2.693 -11.007 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -14.097 -2.759 -9.295 1.00 0.00 H new ATOM 1524 N PRO A 99 -15.743 -3.202 -7.292 1.00 0.00 N ATOM 1525 CA PRO A 99 -15.913 -3.767 -5.931 1.00 0.00 C ATOM 1526 C PRO A 99 -17.186 -3.337 -5.354 1.00 0.00 C ATOM 1527 O PRO A 99 -17.903 -2.500 -5.866 1.00 0.00 O ATOM 1528 CB PRO A 99 -14.676 -3.293 -5.172 1.00 0.00 C ATOM 1529 CG PRO A 99 -14.247 -2.053 -5.897 1.00 0.00 C ATOM 1530 CD PRO A 99 -14.652 -2.221 -7.342 1.00 0.00 C ATOM 0 HA PRO A 99 -15.973 -4.855 -5.903 1.00 0.00 H new ATOM 0 HB2 PRO A 99 -14.907 -3.083 -4.128 1.00 0.00 H new ATOM 0 HB3 PRO A 99 -13.891 -4.049 -5.179 1.00 0.00 H new ATOM 0 HG2 PRO A 99 -14.720 -1.171 -5.465 1.00 0.00 H new ATOM 0 HG3 PRO A 99 -13.170 -1.911 -5.813 1.00 0.00 H new ATOM 0 HD2 PRO A 99 -14.983 -1.278 -7.776 1.00 0.00 H new ATOM 0 HD3 PRO A 99 -13.821 -2.578 -7.951 1.00 0.00 H new ATOM 1538 N LYS A 100 -17.565 -4.088 -4.390 1.00 0.00 N ATOM 1539 CA LYS A 100 -18.897 -3.931 -3.886 1.00 0.00 C ATOM 1540 C LYS A 100 -18.865 -3.258 -2.524 1.00 0.00 C ATOM 1541 O LYS A 100 -18.542 -3.887 -1.539 1.00 0.00 O ATOM 1542 CB LYS A 100 -19.433 -5.368 -3.831 1.00 0.00 C ATOM 1543 CG LYS A 100 -18.692 -6.279 -4.809 1.00 0.00 C ATOM 1544 CD LYS A 100 -18.575 -5.564 -6.147 1.00 0.00 C ATOM 1545 CE LYS A 100 -19.610 -6.175 -7.049 1.00 0.00 C ATOM 1546 NZ LYS A 100 -18.937 -6.385 -8.360 1.00 0.00 N ATOM 0 H LYS A 100 -16.997 -4.804 -3.936 1.00 0.00 H new ATOM 0 HA LYS A 100 -19.533 -3.293 -4.500 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -19.329 -5.758 -2.818 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -20.497 -5.370 -4.065 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -17.702 -6.523 -4.423 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -19.228 -7.220 -4.929 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -18.745 -4.494 -6.031 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -17.576 -5.685 -6.565 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -19.975 -7.118 -6.642 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -20.473 -5.518 -7.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -19.634 -6.294 -9.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -18.190 -5.672 -8.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -18.516 -7.336 -8.386 1.00 0.00 H new ATOM 1560 N SER A 101 -19.166 -1.986 -2.455 1.00 0.00 N ATOM 1561 CA SER A 101 -19.112 -1.306 -1.114 1.00 0.00 C ATOM 1562 C SER A 101 -19.705 -2.197 -0.061 1.00 0.00 C ATOM 1563 O SER A 101 -20.896 -2.277 0.158 1.00 0.00 O ATOM 1564 CB SER A 101 -19.871 0.010 -1.226 1.00 0.00 C ATOM 1565 OG SER A 101 -21.010 -0.162 -2.061 1.00 0.00 O ATOM 0 H SER A 101 -19.440 -1.398 -3.242 1.00 0.00 H new ATOM 0 HA SER A 101 -18.081 -1.105 -0.822 1.00 0.00 H new ATOM 0 HB2 SER A 101 -20.181 0.347 -0.237 1.00 0.00 H new ATOM 0 HB3 SER A 101 -19.220 0.782 -1.637 1.00 0.00 H new ATOM 0 HG SER A 101 -21.529 -0.933 -1.751 1.00 0.00 H new ATOM 1571 N GLU A 102 -18.820 -2.854 0.595 1.00 0.00 N ATOM 1572 CA GLU A 102 -19.209 -3.777 1.703 1.00 0.00 C ATOM 1573 C GLU A 102 -18.070 -4.126 2.530 1.00 0.00 C ATOM 1574 O GLU A 102 -18.152 -4.314 3.728 1.00 0.00 O ATOM 1575 CB GLU A 102 -19.495 -5.192 1.159 1.00 0.00 C ATOM 1576 CG GLU A 102 -20.655 -5.165 0.164 1.00 0.00 C ATOM 1577 CD GLU A 102 -20.869 -6.565 -0.414 1.00 0.00 C ATOM 1578 OE1 GLU A 102 -20.115 -6.942 -1.295 1.00 0.00 O ATOM 1579 OE2 GLU A 102 -21.784 -7.235 0.034 1.00 0.00 O ATOM 0 H GLU A 102 -17.817 -2.800 0.418 1.00 0.00 H new ATOM 0 HA GLU A 102 -20.029 -3.262 2.203 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -18.603 -5.588 0.674 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -19.733 -5.863 1.984 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -21.564 -4.822 0.659 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -20.443 -4.458 -0.638 1.00 0.00 H new ATOM 1586 N ASN A 103 -17.104 -4.579 1.812 1.00 0.00 N ATOM 1587 CA ASN A 103 -16.114 -5.315 2.522 1.00 0.00 C ATOM 1588 C ASN A 103 -14.802 -5.448 1.783 1.00 0.00 C ATOM 1589 O ASN A 103 -14.520 -6.454 1.181 1.00 0.00 O ATOM 1590 CB ASN A 103 -16.942 -6.579 2.499 1.00 0.00 C ATOM 1591 CG ASN A 103 -16.165 -7.746 3.107 1.00 0.00 C ATOM 1592 OD1 ASN A 103 -15.030 -7.524 3.729 1.00 0.00 O flip ATOM 1593 ND2 ASN A 103 -16.592 -8.881 3.017 1.00 0.00 N flip ATOM 0 H ASN A 103 -16.977 -4.467 0.806 1.00 0.00 H new ATOM 0 HA ASN A 103 -15.757 -4.928 3.476 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -17.867 -6.423 3.054 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -17.222 -6.817 1.473 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -17.473 -9.058 2.535 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -16.069 -9.656 3.424 1.00 0.00 H new ATOM 1600 N VAL A 104 -13.992 -4.466 1.856 1.00 0.00 N ATOM 1601 CA VAL A 104 -12.675 -4.562 1.159 1.00 0.00 C ATOM 1602 C VAL A 104 -11.546 -3.885 1.965 1.00 0.00 C ATOM 1603 O VAL A 104 -11.717 -2.822 2.527 1.00 0.00 O ATOM 1604 CB VAL A 104 -12.865 -3.886 -0.184 1.00 0.00 C ATOM 1605 CG1 VAL A 104 -11.651 -4.108 -1.080 1.00 0.00 C ATOM 1606 CG2 VAL A 104 -14.167 -4.331 -0.885 1.00 0.00 C ATOM 0 H VAL A 104 -14.163 -3.596 2.360 1.00 0.00 H new ATOM 0 HA VAL A 104 -12.372 -5.603 1.046 1.00 0.00 H new ATOM 0 HB VAL A 104 -12.960 -2.817 0.005 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -11.811 -3.614 -2.038 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -10.764 -3.693 -0.601 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -11.509 -5.176 -1.242 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -14.258 -3.819 -1.843 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -14.141 -5.408 -1.050 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -15.022 -4.080 -0.257 1.00 0.00 H new ATOM 1616 N VAL A 105 -10.383 -4.504 2.005 1.00 0.00 N ATOM 1617 CA VAL A 105 -9.216 -3.937 2.742 1.00 0.00 C ATOM 1618 C VAL A 105 -7.950 -4.228 1.947 1.00 0.00 C ATOM 1619 O VAL A 105 -7.722 -5.331 1.498 1.00 0.00 O ATOM 1620 CB VAL A 105 -9.214 -4.650 4.102 1.00 0.00 C ATOM 1621 CG1 VAL A 105 -8.387 -5.938 4.036 1.00 0.00 C ATOM 1622 CG2 VAL A 105 -8.614 -3.712 5.147 1.00 0.00 C ATOM 0 H VAL A 105 -10.198 -5.396 1.546 1.00 0.00 H new ATOM 0 HA VAL A 105 -9.269 -2.857 2.878 1.00 0.00 H new ATOM 0 HB VAL A 105 -10.238 -4.911 4.371 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -8.398 -6.428 5.010 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -8.814 -6.607 3.288 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -7.360 -5.697 3.763 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -8.607 -4.207 6.118 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -7.593 -3.456 4.863 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -9.213 -2.803 5.207 1.00 0.00 H new ATOM 1632 N VAL A 106 -7.139 -3.238 1.762 1.00 0.00 N ATOM 1633 CA VAL A 106 -5.887 -3.452 0.970 1.00 0.00 C ATOM 1634 C VAL A 106 -4.690 -3.656 1.868 1.00 0.00 C ATOM 1635 O VAL A 106 -4.545 -3.056 2.902 1.00 0.00 O ATOM 1636 CB VAL A 106 -5.751 -2.222 0.076 1.00 0.00 C ATOM 1637 CG1 VAL A 106 -4.705 -1.233 0.622 1.00 0.00 C ATOM 1638 CG2 VAL A 106 -5.343 -2.705 -1.317 1.00 0.00 C ATOM 0 H VAL A 106 -7.277 -2.292 2.118 1.00 0.00 H new ATOM 0 HA VAL A 106 -5.938 -4.360 0.369 1.00 0.00 H new ATOM 0 HB VAL A 106 -6.702 -1.690 0.043 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -4.638 -0.371 -0.042 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -5.002 -0.902 1.617 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -3.734 -1.725 0.678 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -5.237 -1.848 -1.983 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -4.393 -3.236 -1.254 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -6.108 -3.376 -1.708 1.00 0.00 H new ATOM 1648 N THR A 107 -3.835 -4.502 1.439 1.00 0.00 N ATOM 1649 CA THR A 107 -2.597 -4.810 2.199 1.00 0.00 C ATOM 1650 C THR A 107 -1.441 -4.735 1.216 1.00 0.00 C ATOM 1651 O THR A 107 -1.419 -5.456 0.229 1.00 0.00 O ATOM 1652 CB THR A 107 -2.777 -6.214 2.678 1.00 0.00 C ATOM 1653 OG1 THR A 107 -4.162 -6.517 2.787 1.00 0.00 O ATOM 1654 CG2 THR A 107 -2.090 -6.350 4.037 1.00 0.00 C ATOM 0 H THR A 107 -3.933 -5.018 0.565 1.00 0.00 H new ATOM 0 HA THR A 107 -2.405 -4.132 3.031 1.00 0.00 H new ATOM 0 HB THR A 107 -2.333 -6.914 1.970 1.00 0.00 H new ATOM 0 HG1 THR A 107 -4.271 -7.439 3.100 1.00 0.00 H new ATOM 0 HG21 THR A 107 -2.210 -7.369 4.405 1.00 0.00 H new ATOM 0 HG22 THR A 107 -1.029 -6.124 3.932 1.00 0.00 H new ATOM 0 HG23 THR A 107 -2.541 -5.654 4.744 1.00 0.00 H new ATOM 1662 N VAL A 108 -0.502 -3.861 1.407 1.00 0.00 N ATOM 1663 CA VAL A 108 0.595 -3.781 0.410 1.00 0.00 C ATOM 1664 C VAL A 108 1.928 -3.759 1.154 1.00 0.00 C ATOM 1665 O VAL A 108 2.082 -3.145 2.185 1.00 0.00 O ATOM 1666 CB VAL A 108 0.316 -2.492 -0.395 1.00 0.00 C ATOM 1667 CG1 VAL A 108 1.087 -2.452 -1.719 1.00 0.00 C ATOM 1668 CG2 VAL A 108 -1.201 -2.341 -0.640 1.00 0.00 C ATOM 0 H VAL A 108 -0.443 -3.211 2.191 1.00 0.00 H new ATOM 0 HA VAL A 108 0.645 -4.630 -0.272 1.00 0.00 H new ATOM 0 HB VAL A 108 0.670 -1.650 0.200 1.00 0.00 H new ATOM 0 HG11 VAL A 108 0.856 -1.526 -2.247 1.00 0.00 H new ATOM 0 HG12 VAL A 108 2.157 -2.498 -1.518 1.00 0.00 H new ATOM 0 HG13 VAL A 108 0.796 -3.303 -2.335 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -1.389 -1.430 -1.208 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -1.566 -3.201 -1.202 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -1.720 -2.286 0.317 1.00 0.00 H new ATOM 1678 N LYS A 109 2.877 -4.464 0.619 1.00 0.00 N ATOM 1679 CA LYS A 109 4.221 -4.551 1.265 1.00 0.00 C ATOM 1680 C LYS A 109 5.340 -4.264 0.273 1.00 0.00 C ATOM 1681 O LYS A 109 5.242 -4.488 -0.905 1.00 0.00 O ATOM 1682 CB LYS A 109 4.316 -5.953 1.838 1.00 0.00 C ATOM 1683 CG LYS A 109 5.571 -6.611 1.462 1.00 0.00 C ATOM 1684 CD LYS A 109 5.501 -7.151 0.036 1.00 0.00 C ATOM 1685 CE LYS A 109 6.276 -8.466 -0.043 1.00 0.00 C ATOM 1686 NZ LYS A 109 6.388 -8.760 -1.499 1.00 0.00 N ATOM 0 H LYS A 109 2.784 -4.992 -0.249 1.00 0.00 H new ATOM 0 HA LYS A 109 4.334 -3.801 2.048 1.00 0.00 H new ATOM 0 HB2 LYS A 109 4.241 -5.907 2.924 1.00 0.00 H new ATOM 0 HB3 LYS A 109 3.474 -6.548 1.485 1.00 0.00 H new ATOM 0 HG2 LYS A 109 6.396 -5.904 1.546 1.00 0.00 H new ATOM 0 HG3 LYS A 109 5.779 -7.427 2.154 1.00 0.00 H new ATOM 0 HD2 LYS A 109 4.463 -7.309 -0.255 1.00 0.00 H new ATOM 0 HD3 LYS A 109 5.920 -6.426 -0.661 1.00 0.00 H new ATOM 0 HE2 LYS A 109 7.259 -8.373 0.418 1.00 0.00 H new ATOM 0 HE3 LYS A 109 5.752 -9.265 0.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 6.952 -9.623 -1.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 5.438 -8.900 -1.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 6.852 -7.963 -1.979 1.00 0.00 H new ATOM 1700 N VAL A 110 6.415 -3.816 0.796 1.00 0.00 N ATOM 1701 CA VAL A 110 7.616 -3.533 -0.003 1.00 0.00 C ATOM 1702 C VAL A 110 8.634 -4.636 0.340 1.00 0.00 C ATOM 1703 O VAL A 110 8.956 -4.833 1.512 1.00 0.00 O ATOM 1704 CB VAL A 110 8.104 -2.162 0.467 1.00 0.00 C ATOM 1705 CG1 VAL A 110 9.622 -2.004 0.254 1.00 0.00 C ATOM 1706 CG2 VAL A 110 7.377 -1.074 -0.316 1.00 0.00 C ATOM 0 H VAL A 110 6.521 -3.623 1.792 1.00 0.00 H new ATOM 0 HA VAL A 110 7.452 -3.521 -1.081 1.00 0.00 H new ATOM 0 HB VAL A 110 7.894 -2.073 1.533 1.00 0.00 H new ATOM 0 HG11 VAL A 110 9.937 -1.019 0.598 1.00 0.00 H new ATOM 0 HG12 VAL A 110 10.151 -2.772 0.819 1.00 0.00 H new ATOM 0 HG13 VAL A 110 9.854 -2.109 -0.806 1.00 0.00 H new ATOM 0 HG21 VAL A 110 7.722 -0.095 0.016 1.00 0.00 H new ATOM 0 HG22 VAL A 110 7.585 -1.191 -1.380 1.00 0.00 H new ATOM 0 HG23 VAL A 110 6.304 -1.158 -0.145 1.00 0.00 H new ATOM 1716 N MET A 111 9.131 -5.351 -0.663 1.00 0.00 N ATOM 1717 CA MET A 111 10.126 -6.450 -0.416 1.00 0.00 C ATOM 1718 C MET A 111 11.487 -5.941 -0.807 1.00 0.00 C ATOM 1719 O MET A 111 11.696 -5.495 -1.913 1.00 0.00 O ATOM 1720 CB MET A 111 9.676 -7.607 -1.295 1.00 0.00 C ATOM 1721 CG MET A 111 10.737 -8.718 -1.322 1.00 0.00 C ATOM 1722 SD MET A 111 12.028 -8.304 -2.522 1.00 0.00 S ATOM 1723 CE MET A 111 12.638 -9.989 -2.786 1.00 0.00 C ATOM 0 H MET A 111 8.884 -5.213 -1.643 1.00 0.00 H new ATOM 0 HA MET A 111 10.181 -6.771 0.624 1.00 0.00 H new ATOM 0 HB2 MET A 111 8.733 -8.007 -0.922 1.00 0.00 H new ATOM 0 HB3 MET A 111 9.492 -7.249 -2.308 1.00 0.00 H new ATOM 0 HG2 MET A 111 11.174 -8.840 -0.331 1.00 0.00 H new ATOM 0 HG3 MET A 111 10.274 -9.669 -1.585 1.00 0.00 H new ATOM 0 HE1 MET A 111 13.456 -9.971 -3.507 1.00 0.00 H new ATOM 0 HE2 MET A 111 12.996 -10.399 -1.841 1.00 0.00 H new ATOM 0 HE3 MET A 111 11.830 -10.613 -3.169 1.00 0.00 H new ATOM 1733 N GLY A 112 12.391 -5.916 0.100 1.00 0.00 N ATOM 1734 CA GLY A 112 13.715 -5.326 -0.218 1.00 0.00 C ATOM 1735 C GLY A 112 14.612 -6.204 -1.096 1.00 0.00 C ATOM 1736 O GLY A 112 14.245 -6.653 -2.162 1.00 0.00 O ATOM 0 H GLY A 112 12.284 -6.274 1.049 1.00 0.00 H new ATOM 0 HA2 GLY A 112 13.561 -4.371 -0.720 1.00 0.00 H new ATOM 0 HA3 GLY A 112 14.237 -5.115 0.715 1.00 0.00 H new ATOM 1740 N ASP A 113 15.830 -6.349 -0.658 1.00 0.00 N ATOM 1741 CA ASP A 113 16.873 -7.077 -1.419 1.00 0.00 C ATOM 1742 C ASP A 113 17.052 -8.492 -0.965 1.00 0.00 C ATOM 1743 O ASP A 113 17.977 -9.171 -1.361 1.00 0.00 O ATOM 1744 CB ASP A 113 18.131 -6.272 -1.127 1.00 0.00 C ATOM 1745 CG ASP A 113 18.653 -6.616 0.273 1.00 0.00 C ATOM 1746 OD1 ASP A 113 17.840 -6.728 1.174 1.00 0.00 O ATOM 1747 OD2 ASP A 113 19.856 -6.758 0.416 1.00 0.00 O ATOM 0 H ASP A 113 16.154 -5.975 0.234 1.00 0.00 H new ATOM 0 HA ASP A 113 16.619 -7.155 -2.476 1.00 0.00 H new ATOM 0 HB2 ASP A 113 18.895 -6.490 -1.874 1.00 0.00 H new ATOM 0 HB3 ASP A 113 17.915 -5.206 -1.193 1.00 0.00 H new ATOM 1752 N ASP A 114 16.211 -8.946 -0.136 1.00 0.00 N ATOM 1753 CA ASP A 114 16.394 -10.307 0.324 1.00 0.00 C ATOM 1754 C ASP A 114 15.204 -10.883 1.069 1.00 0.00 C ATOM 1755 O ASP A 114 15.151 -12.072 1.309 1.00 0.00 O ATOM 1756 CB ASP A 114 17.610 -10.246 1.230 1.00 0.00 C ATOM 1757 CG ASP A 114 17.412 -9.164 2.295 1.00 0.00 C ATOM 1758 OD1 ASP A 114 16.411 -8.470 2.231 1.00 0.00 O ATOM 1759 OD2 ASP A 114 18.267 -9.050 3.158 1.00 0.00 O ATOM 0 H ASP A 114 15.409 -8.443 0.244 1.00 0.00 H new ATOM 0 HA ASP A 114 16.515 -10.973 -0.530 1.00 0.00 H new ATOM 0 HB2 ASP A 114 17.768 -11.213 1.707 1.00 0.00 H new ATOM 0 HB3 ASP A 114 18.502 -10.031 0.642 1.00 0.00 H new ATOM 1764 N GLY A 115 14.278 -10.091 1.492 1.00 0.00 N ATOM 1765 CA GLY A 115 13.188 -10.668 2.257 1.00 0.00 C ATOM 1766 C GLY A 115 11.947 -9.886 2.124 1.00 0.00 C ATOM 1767 O GLY A 115 11.039 -10.116 1.351 1.00 0.00 O ATOM 0 H GLY A 115 14.237 -9.083 1.339 1.00 0.00 H new ATOM 0 HA2 GLY A 115 13.011 -11.690 1.921 1.00 0.00 H new ATOM 0 HA3 GLY A 115 13.472 -10.722 3.308 1.00 0.00 H new ATOM 1771 N VAL A 116 11.962 -8.997 2.971 1.00 0.00 N ATOM 1772 CA VAL A 116 10.860 -8.058 3.174 1.00 0.00 C ATOM 1773 C VAL A 116 11.387 -6.663 3.473 1.00 0.00 C ATOM 1774 O VAL A 116 12.577 -6.426 3.537 1.00 0.00 O ATOM 1775 CB VAL A 116 10.080 -8.623 4.340 1.00 0.00 C ATOM 1776 CG1 VAL A 116 10.801 -8.307 5.646 1.00 0.00 C ATOM 1777 CG2 VAL A 116 8.679 -8.005 4.341 1.00 0.00 C ATOM 0 H VAL A 116 12.749 -8.844 3.602 1.00 0.00 H new ATOM 0 HA VAL A 116 10.235 -7.952 2.287 1.00 0.00 H new ATOM 0 HB VAL A 116 9.999 -9.706 4.245 1.00 0.00 H new ATOM 0 HG11 VAL A 116 10.235 -8.716 6.483 1.00 0.00 H new ATOM 0 HG12 VAL A 116 11.796 -8.752 5.629 1.00 0.00 H new ATOM 0 HG13 VAL A 116 10.888 -7.227 5.761 1.00 0.00 H new ATOM 0 HG21 VAL A 116 8.106 -8.404 5.178 1.00 0.00 H new ATOM 0 HG22 VAL A 116 8.759 -6.922 4.440 1.00 0.00 H new ATOM 0 HG23 VAL A 116 8.174 -8.248 3.406 1.00 0.00 H new ATOM 1787 N LEU A 117 10.500 -5.744 3.644 1.00 0.00 N ATOM 1788 CA LEU A 117 10.911 -4.343 3.929 1.00 0.00 C ATOM 1789 C LEU A 117 9.890 -3.636 4.811 1.00 0.00 C ATOM 1790 O LEU A 117 10.200 -3.233 5.909 1.00 0.00 O ATOM 1791 CB LEU A 117 11.022 -3.680 2.573 1.00 0.00 C ATOM 1792 CG LEU A 117 12.075 -2.565 2.618 1.00 0.00 C ATOM 1793 CD1 LEU A 117 11.927 -1.747 3.905 1.00 0.00 C ATOM 1794 CD2 LEU A 117 13.474 -3.185 2.570 1.00 0.00 C ATOM 0 H LEU A 117 9.492 -5.897 3.600 1.00 0.00 H new ATOM 0 HA LEU A 117 11.852 -4.300 4.477 1.00 0.00 H new ATOM 0 HB2 LEU A 117 11.295 -4.419 1.819 1.00 0.00 H new ATOM 0 HB3 LEU A 117 10.056 -3.268 2.281 1.00 0.00 H new ATOM 0 HG LEU A 117 11.931 -1.907 1.761 1.00 0.00 H new ATOM 0 HD11 LEU A 117 12.680 -0.959 3.924 1.00 0.00 H new ATOM 0 HD12 LEU A 117 10.933 -1.300 3.940 1.00 0.00 H new ATOM 0 HD13 LEU A 117 12.062 -2.399 4.768 1.00 0.00 H new ATOM 0 HD21 LEU A 117 14.224 -2.394 2.602 1.00 0.00 H new ATOM 0 HD22 LEU A 117 13.608 -3.847 3.426 1.00 0.00 H new ATOM 0 HD23 LEU A 117 13.588 -3.756 1.648 1.00 0.00 H new ATOM 1806 N ALA A 118 8.682 -3.486 4.356 1.00 0.00 N ATOM 1807 CA ALA A 118 7.649 -2.794 5.217 1.00 0.00 C ATOM 1808 C ALA A 118 6.272 -3.050 4.657 1.00 0.00 C ATOM 1809 O ALA A 118 6.035 -2.883 3.489 1.00 0.00 O ATOM 1810 CB ALA A 118 7.998 -1.305 5.154 1.00 0.00 C ATOM 0 H ALA A 118 8.354 -3.801 3.443 1.00 0.00 H new ATOM 0 HA ALA A 118 7.651 -3.156 6.245 1.00 0.00 H new ATOM 0 HB1 ALA A 118 7.288 -0.739 5.757 1.00 0.00 H new ATOM 0 HB2 ALA A 118 9.006 -1.151 5.539 1.00 0.00 H new ATOM 0 HB3 ALA A 118 7.949 -0.963 4.120 1.00 0.00 H new ATOM 1816 N CYS A 119 5.359 -3.470 5.456 1.00 0.00 N ATOM 1817 CA CYS A 119 4.000 -3.767 4.884 1.00 0.00 C ATOM 1818 C CYS A 119 2.872 -3.208 5.717 1.00 0.00 C ATOM 1819 O CYS A 119 2.851 -3.290 6.930 1.00 0.00 O ATOM 1820 CB CYS A 119 3.921 -5.284 4.757 1.00 0.00 C ATOM 1821 SG CYS A 119 3.336 -6.033 6.271 1.00 0.00 S ATOM 0 H CYS A 119 5.468 -3.624 6.458 1.00 0.00 H new ATOM 0 HA CYS A 119 3.881 -3.280 3.916 1.00 0.00 H new ATOM 0 HB2 CYS A 119 3.254 -5.548 3.937 1.00 0.00 H new ATOM 0 HB3 CYS A 119 4.905 -5.682 4.508 1.00 0.00 H new ATOM 1826 N ALA A 120 1.935 -2.615 5.042 1.00 0.00 N ATOM 1827 CA ALA A 120 0.782 -2.010 5.760 1.00 0.00 C ATOM 1828 C ALA A 120 -0.533 -2.161 4.993 1.00 0.00 C ATOM 1829 O ALA A 120 -0.626 -1.976 3.786 1.00 0.00 O ATOM 1830 CB ALA A 120 1.143 -0.528 5.928 1.00 0.00 C ATOM 0 H ALA A 120 1.915 -2.522 4.026 1.00 0.00 H new ATOM 0 HA ALA A 120 0.617 -2.512 6.714 1.00 0.00 H new ATOM 0 HB1 ALA A 120 0.337 -0.014 6.451 1.00 0.00 H new ATOM 0 HB2 ALA A 120 2.064 -0.441 6.505 1.00 0.00 H new ATOM 0 HB3 ALA A 120 1.285 -0.075 4.947 1.00 0.00 H new ATOM 1836 N ILE A 121 -1.533 -2.537 5.725 1.00 0.00 N ATOM 1837 CA ILE A 121 -2.892 -2.754 5.188 1.00 0.00 C ATOM 1838 C ILE A 121 -3.868 -1.681 5.708 1.00 0.00 C ATOM 1839 O ILE A 121 -3.839 -1.323 6.869 1.00 0.00 O ATOM 1840 CB ILE A 121 -3.241 -4.088 5.743 1.00 0.00 C ATOM 1841 CG1 ILE A 121 -4.357 -4.672 5.059 1.00 0.00 C ATOM 1842 CG2 ILE A 121 -3.509 -4.023 7.229 1.00 0.00 C ATOM 1843 CD1 ILE A 121 -5.643 -3.884 5.317 1.00 0.00 C ATOM 0 H ILE A 121 -1.456 -2.711 6.727 1.00 0.00 H new ATOM 0 HA ILE A 121 -2.944 -2.699 4.101 1.00 0.00 H new ATOM 0 HB ILE A 121 -2.374 -4.729 5.584 1.00 0.00 H new ATOM 0 HG12 ILE A 121 -4.155 -4.701 3.988 1.00 0.00 H new ATOM 0 HG13 ILE A 121 -4.488 -5.703 5.387 1.00 0.00 H new ATOM 0 HG21 ILE A 121 -3.761 -5.018 7.597 1.00 0.00 H new ATOM 0 HG22 ILE A 121 -2.619 -3.660 7.744 1.00 0.00 H new ATOM 0 HG23 ILE A 121 -4.341 -3.345 7.419 1.00 0.00 H new ATOM 0 HD11 ILE A 121 -6.470 -4.353 4.784 1.00 0.00 H new ATOM 0 HD12 ILE A 121 -5.857 -3.877 6.386 1.00 0.00 H new ATOM 0 HD13 ILE A 121 -5.519 -2.860 4.965 1.00 0.00 H new ATOM 1855 N ALA A 122 -4.733 -1.172 4.871 1.00 0.00 N ATOM 1856 CA ALA A 122 -5.704 -0.141 5.322 1.00 0.00 C ATOM 1857 C ALA A 122 -7.132 -0.544 4.846 1.00 0.00 C ATOM 1858 O ALA A 122 -7.275 -1.320 3.915 1.00 0.00 O ATOM 1859 CB ALA A 122 -5.243 1.131 4.607 1.00 0.00 C ATOM 0 H ALA A 122 -4.806 -1.431 3.887 1.00 0.00 H new ATOM 0 HA ALA A 122 -5.742 -0.019 6.404 1.00 0.00 H new ATOM 0 HB1 ALA A 122 -5.900 1.958 4.876 1.00 0.00 H new ATOM 0 HB2 ALA A 122 -4.222 1.367 4.907 1.00 0.00 H new ATOM 0 HB3 ALA A 122 -5.278 0.975 3.529 1.00 0.00 H new ATOM 1865 N THR A 123 -8.192 -0.021 5.451 1.00 0.00 N ATOM 1866 CA THR A 123 -9.567 -0.385 4.998 1.00 0.00 C ATOM 1867 C THR A 123 -10.075 0.646 3.989 1.00 0.00 C ATOM 1868 O THR A 123 -10.353 0.330 2.850 1.00 0.00 O ATOM 1869 CB THR A 123 -10.411 -0.355 6.246 1.00 0.00 C ATOM 1870 OG1 THR A 123 -10.210 0.869 6.941 1.00 0.00 O ATOM 1871 CG2 THR A 123 -10.005 -1.534 7.113 1.00 0.00 C ATOM 0 H THR A 123 -8.152 0.635 6.231 1.00 0.00 H new ATOM 0 HA THR A 123 -9.597 -1.358 4.508 1.00 0.00 H new ATOM 0 HB THR A 123 -11.469 -0.426 5.993 1.00 0.00 H new ATOM 0 HG1 THR A 123 -10.763 0.881 7.750 1.00 0.00 H new ATOM 0 HG21 THR A 123 -10.601 -1.537 8.025 1.00 0.00 H new ATOM 0 HG22 THR A 123 -10.173 -2.462 6.567 1.00 0.00 H new ATOM 0 HG23 THR A 123 -8.949 -1.450 7.370 1.00 0.00 H new ATOM 1879 N HIS A 124 -10.184 1.884 4.412 1.00 0.00 N ATOM 1880 CA HIS A 124 -10.656 2.975 3.483 1.00 0.00 C ATOM 1881 C HIS A 124 -12.079 2.743 2.968 1.00 0.00 C ATOM 1882 O HIS A 124 -12.935 3.593 3.099 1.00 0.00 O ATOM 1883 CB HIS A 124 -9.674 2.984 2.347 1.00 0.00 C ATOM 1884 CG HIS A 124 -8.450 3.744 2.763 1.00 0.00 C ATOM 1885 ND1 HIS A 124 -8.303 4.261 4.040 1.00 0.00 N ATOM 1886 CD2 HIS A 124 -7.301 4.074 2.090 1.00 0.00 C ATOM 1887 CE1 HIS A 124 -7.106 4.867 4.096 1.00 0.00 C ATOM 1888 NE2 HIS A 124 -6.456 4.783 2.935 1.00 0.00 N ATOM 0 H HIS A 124 -9.968 2.191 5.360 1.00 0.00 H new ATOM 0 HA HIS A 124 -10.697 3.930 4.007 1.00 0.00 H new ATOM 0 HB2 HIS A 124 -9.408 1.963 2.072 1.00 0.00 H new ATOM 0 HB3 HIS A 124 -10.122 3.445 1.466 1.00 0.00 H new ATOM 0 HD1 HIS A 124 -8.981 4.194 4.799 1.00 0.00 H new ATOM 0 HD2 HIS A 124 -7.086 3.822 1.062 1.00 0.00 H new ATOM 0 HE1 HIS A 124 -6.717 5.362 4.974 1.00 0.00 H new ATOM 1896 N ALA A 125 -12.345 1.625 2.360 1.00 0.00 N ATOM 1897 CA ALA A 125 -13.720 1.400 1.824 1.00 0.00 C ATOM 1898 C ALA A 125 -14.571 0.566 2.787 1.00 0.00 C ATOM 1899 O ALA A 125 -14.679 -0.637 2.654 1.00 0.00 O ATOM 1900 CB ALA A 125 -13.510 0.654 0.507 1.00 0.00 C ATOM 0 H ALA A 125 -11.683 0.864 2.210 1.00 0.00 H new ATOM 0 HA ALA A 125 -14.256 2.340 1.690 1.00 0.00 H new ATOM 0 HB1 ALA A 125 -14.477 0.449 0.047 1.00 0.00 H new ATOM 0 HB2 ALA A 125 -12.910 1.266 -0.166 1.00 0.00 H new ATOM 0 HB3 ALA A 125 -12.993 -0.286 0.700 1.00 0.00 H new ATOM 1906 N LYS A 126 -15.197 1.203 3.739 1.00 0.00 N ATOM 1907 CA LYS A 126 -16.062 0.464 4.694 1.00 0.00 C ATOM 1908 C LYS A 126 -17.499 0.997 4.572 1.00 0.00 C ATOM 1909 O LYS A 126 -17.986 1.688 5.442 1.00 0.00 O ATOM 1910 CB LYS A 126 -15.475 0.785 6.067 1.00 0.00 C ATOM 1911 CG LYS A 126 -15.430 2.299 6.278 1.00 0.00 C ATOM 1912 CD LYS A 126 -15.555 2.606 7.772 1.00 0.00 C ATOM 1913 CE LYS A 126 -17.025 2.552 8.193 1.00 0.00 C ATOM 1914 NZ LYS A 126 -17.149 1.304 8.997 1.00 0.00 N ATOM 0 H LYS A 126 -15.144 2.210 3.895 1.00 0.00 H new ATOM 0 HA LYS A 126 -16.095 -0.611 4.514 1.00 0.00 H new ATOM 0 HB2 LYS A 126 -16.077 0.319 6.847 1.00 0.00 H new ATOM 0 HB3 LYS A 126 -14.471 0.369 6.148 1.00 0.00 H new ATOM 0 HG2 LYS A 126 -14.496 2.704 5.889 1.00 0.00 H new ATOM 0 HG3 LYS A 126 -16.239 2.779 5.728 1.00 0.00 H new ATOM 0 HD2 LYS A 126 -14.975 1.886 8.350 1.00 0.00 H new ATOM 0 HD3 LYS A 126 -15.142 3.592 7.985 1.00 0.00 H new ATOM 0 HE2 LYS A 126 -17.300 3.429 8.780 1.00 0.00 H new ATOM 0 HE3 LYS A 126 -17.684 2.530 7.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 -17.900 0.706 8.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 -16.247 0.787 8.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 -17.386 1.547 9.980 1.00 0.00 H new ATOM 1928 N ILE A 127 -18.183 0.700 3.491 1.00 0.00 N ATOM 1929 CA ILE A 127 -19.580 1.233 3.346 1.00 0.00 C ATOM 1930 C ILE A 127 -20.505 0.658 4.415 1.00 0.00 C ATOM 1931 O ILE A 127 -20.702 -0.535 4.521 1.00 0.00 O ATOM 1932 CB ILE A 127 -20.076 0.918 1.948 1.00 0.00 C ATOM 1933 CG1 ILE A 127 -20.912 2.101 1.624 1.00 0.00 C ATOM 1934 CG2 ILE A 127 -20.893 -0.380 1.887 1.00 0.00 C ATOM 1935 CD1 ILE A 127 -21.843 1.820 0.443 1.00 0.00 C ATOM 0 H ILE A 127 -17.846 0.125 2.719 1.00 0.00 H new ATOM 0 HA ILE A 127 -19.576 2.313 3.490 1.00 0.00 H new ATOM 0 HB ILE A 127 -19.261 0.749 1.244 1.00 0.00 H new ATOM 0 HG12 ILE A 127 -21.503 2.381 2.496 1.00 0.00 H new ATOM 0 HG13 ILE A 127 -20.269 2.949 1.389 1.00 0.00 H new ATOM 0 HG21 ILE A 127 -21.222 -0.555 0.863 1.00 0.00 H new ATOM 0 HG22 ILE A 127 -20.275 -1.215 2.217 1.00 0.00 H new ATOM 0 HG23 ILE A 127 -21.763 -0.293 2.538 1.00 0.00 H new ATOM 0 HD11 ILE A 127 -22.441 2.707 0.232 1.00 0.00 H new ATOM 0 HD12 ILE A 127 -21.250 1.565 -0.435 1.00 0.00 H new ATOM 0 HD13 ILE A 127 -22.502 0.988 0.690 1.00 0.00 H new ATOM 1947 N ARG A 128 -21.081 1.524 5.196 1.00 0.00 N ATOM 1948 CA ARG A 128 -22.021 1.085 6.263 1.00 0.00 C ATOM 1949 C ARG A 128 -22.763 2.282 6.874 1.00 0.00 C ATOM 1950 O ARG A 128 -22.233 3.374 6.930 1.00 0.00 O ATOM 1951 CB ARG A 128 -21.237 0.378 7.292 1.00 0.00 C ATOM 1952 CG ARG A 128 -22.222 -0.631 7.811 1.00 0.00 C ATOM 1953 CD ARG A 128 -22.239 -1.847 6.898 1.00 0.00 C ATOM 1954 NE ARG A 128 -21.563 -2.929 7.666 1.00 0.00 N ATOM 1955 CZ ARG A 128 -20.285 -2.853 7.915 1.00 0.00 C ATOM 1956 NH1 ARG A 128 -19.421 -3.126 6.976 1.00 0.00 N ATOM 1957 NH2 ARG A 128 -19.871 -2.505 9.102 1.00 0.00 N ATOM 0 H ARG A 128 -20.939 2.533 5.140 1.00 0.00 H new ATOM 0 HA ARG A 128 -22.777 0.423 5.841 1.00 0.00 H new ATOM 0 HB2 ARG A 128 -20.351 -0.098 6.872 1.00 0.00 H new ATOM 0 HB3 ARG A 128 -20.895 1.053 8.077 1.00 0.00 H new ATOM 0 HG2 ARG A 128 -21.952 -0.929 8.824 1.00 0.00 H new ATOM 0 HG3 ARG A 128 -23.217 -0.189 7.863 1.00 0.00 H new ATOM 0 HD2 ARG A 128 -23.259 -2.129 6.638 1.00 0.00 H new ATOM 0 HD3 ARG A 128 -21.717 -1.644 5.963 1.00 0.00 H new ATOM 0 HE ARG A 128 -22.100 -3.730 7.998 1.00 0.00 H new ATOM 0 HH11 ARG A 128 -19.745 -3.399 6.048 1.00 0.00 H new ATOM 0 HH12 ARG A 128 -18.421 -3.067 7.170 1.00 0.00 H new ATOM 0 HH21 ARG A 128 -20.547 -2.292 9.836 1.00 0.00 H new ATOM 0 HH22 ARG A 128 -18.871 -2.446 9.296 1.00 0.00 H new ATOM 1971 N ASP A 129 -23.975 2.085 7.343 1.00 0.00 N ATOM 1972 CA ASP A 129 -24.746 3.203 7.961 1.00 0.00 C ATOM 1973 C ASP A 129 -24.459 4.526 7.242 1.00 0.00 C ATOM 1974 O ASP A 129 -25.167 4.829 6.297 1.00 0.00 O ATOM 1975 CB ASP A 129 -24.260 3.262 9.414 1.00 0.00 C ATOM 1976 CG ASP A 129 -24.055 1.845 9.957 1.00 0.00 C ATOM 1977 OD1 ASP A 129 -24.892 1.001 9.685 1.00 0.00 O ATOM 1978 OD2 ASP A 129 -23.063 1.629 10.633 1.00 0.00 O ATOM 1979 OXT ASP A 129 -23.537 5.211 7.652 1.00 0.00 O ATOM 0 H ASP A 129 -24.462 1.189 7.322 1.00 0.00 H new ATOM 0 HA ASP A 129 -25.822 3.043 7.893 1.00 0.00 H new ATOM 0 HB2 ASP A 129 -23.326 3.821 9.471 1.00 0.00 H new ATOM 0 HB3 ASP A 129 -24.987 3.794 10.028 1.00 0.00 H new TER 1984 ASP A 129