USER MOD reduce.3.24.130724 H: found=0, std=0, add=859, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 850 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 38 SER OG : rot 66:sc= 1.13 USER MOD Set 1.2: A 72 ASN :FLIP amide:sc= -7.32! C(o=-9.6!,f=-6.2!) USER MOD Set 2.1: A 60 THR OG1 : rot -160:sc= -1.69! USER MOD Set 2.2: A 61 THR OG1 : rot 69:sc= -0.634 USER MOD Set 3.1: A 47 GLN : amide:sc= -5.45! C(o=-7.9!,f=-14!) USER MOD Set 3.2: A 57 HIS : +bothHN:sc= -2.45! C(o=-7.9!,f=-22!) USER MOD Set 4.1: A 27 HIS : no HD1:sc= -5.46! C(o=-5.6!,f=-5.9!) USER MOD Set 4.2: A 32 SER OG : rot 130:sc= -0.136 USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=-0.002) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 6 HIS : no HD1:sc= -0.776 X(o=-0.78,f=-0.34) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=-0.021) USER MOD Single : A 8 HIS : no HD1:sc= -0.223 X(o=-0.22,f=-0.002) USER MOD Single : A 9 HIS : no HE2:sc= -0.119 X(o=-0.12,f=-0.47) USER MOD Single : A 16 THR OG1 : rot 180:sc= -0.217 USER MOD Single : A 18 GLN : amide:sc= -1.33 K(o=-1.3,f=-5.8!) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= -0.0672 K(o=-0.067,f=-0.95) USER MOD Single : A 26 TYR OH : rot 180:sc= -0.666 USER MOD Single : A 31 GLN : amide:sc= -1.94! C(o=-1.9!,f=-9.3!) USER MOD Single : A 33 TYR OH : rot 97:sc= -2.7! USER MOD Single : A 36 SER OG : rot 180:sc= 0.0248 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot -150:sc= 0.125 USER MOD Single : A 42 THR OG1 : rot 75:sc= 0.0675 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= -2.9 USER MOD Single : A 50 SER OG : rot -51:sc= 0.0134 USER MOD Single : A 51 SER OG : rot -140:sc= -1.54 USER MOD Single : A 52 MET CE :methyl -153:sc= -9.42! (180deg=-10.9!) USER MOD Single : A 53 THR OG1 : rot 180:sc= -2.75! USER MOD Single : A 55 HIS : no HD1:sc= -2.6 K(o=-2.6,f=-5.1!) USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 ASN : amide:sc= -7.81! C(o=-7.8!,f=-11!) USER MOD Single : A 82 SER OG : rot 70:sc= -2.17! USER MOD Single : A 86 TYR OH : rot 55:sc= -1.2 USER MOD Single : A 87 THR OG1 : rot 87:sc= -1.68 USER MOD Single : A 88 MET CE :methyl -110:sc= -0.195 (180deg=-4.73!) USER MOD Single : A 91 ASN : amide:sc= 0 X(o=0,f=-0.023) USER MOD Single : A 96 TYR OH : rot 180:sc= -1.84! USER MOD Single : A 98 ASN : amide:sc= -2.79! C(o=-2.8!,f=-4.9!) USER MOD Single : A 100 THR OG1 : rot -119:sc= 0.468 USER MOD Single : A 101 GLN : amide:sc= -0.0209 K(o=-0.021,f=-1.5!) USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 40:sc= 0.483 USER MOD Single : A 108 SER OG : rot 180:sc= -0.842 USER MOD Single : A 112 THR OG1 : rot 180:sc= 0 USER MOD Single : A 113 SER OG : rot 180:sc= 0.405 USER MOD Single : A 114 THR OG1 : rot 180:sc= 0 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 119 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 32.005 18.239 -3.137 1.00 0.00 N ATOM 2 CA ALA A 1 33.258 17.889 -2.407 1.00 0.00 C ATOM 3 C ALA A 1 33.079 18.125 -0.905 1.00 0.00 C ATOM 4 O ALA A 1 33.405 17.283 -0.092 1.00 0.00 O ATOM 5 CB ALA A 1 34.322 18.829 -2.974 1.00 0.00 C ATOM 0 H1 ALA A 1 32.139 18.075 -4.155 1.00 0.00 H new ATOM 0 H2 ALA A 1 31.224 17.646 -2.790 1.00 0.00 H new ATOM 0 H3 ALA A 1 31.777 19.241 -2.975 1.00 0.00 H new ATOM 0 HA ALA A 1 33.530 16.841 -2.533 1.00 0.00 H new ATOM 0 HB1 ALA A 1 35.277 18.634 -2.486 1.00 0.00 H new ATOM 0 HB2 ALA A 1 34.421 18.661 -4.046 1.00 0.00 H new ATOM 0 HB3 ALA A 1 34.027 19.863 -2.794 1.00 0.00 H new ATOM 13 N ARG A 2 32.566 19.265 -0.531 1.00 0.00 N ATOM 14 CA ARG A 2 32.370 19.554 0.919 1.00 0.00 C ATOM 15 C ARG A 2 30.908 19.914 1.194 1.00 0.00 C ATOM 16 O ARG A 2 30.230 19.255 1.958 1.00 0.00 O ATOM 17 CB ARG A 2 33.280 20.747 1.210 1.00 0.00 C ATOM 18 CG ARG A 2 34.359 20.333 2.212 1.00 0.00 C ATOM 19 CD ARG A 2 34.132 21.063 3.537 1.00 0.00 C ATOM 20 NE ARG A 2 35.496 21.276 4.096 1.00 0.00 N ATOM 21 CZ ARG A 2 36.251 22.234 3.631 1.00 0.00 C ATOM 22 NH1 ARG A 2 36.194 23.425 4.161 1.00 0.00 N ATOM 23 NH2 ARG A 2 37.064 22.000 2.637 1.00 0.00 N ATOM 0 H ARG A 2 32.274 20.008 -1.165 1.00 0.00 H new ATOM 0 HA ARG A 2 32.608 18.696 1.548 1.00 0.00 H new ATOM 0 HB2 ARG A 2 33.741 21.100 0.288 1.00 0.00 H new ATOM 0 HB3 ARG A 2 32.695 21.575 1.611 1.00 0.00 H new ATOM 0 HG2 ARG A 2 34.330 19.255 2.369 1.00 0.00 H new ATOM 0 HG3 ARG A 2 35.347 20.571 1.818 1.00 0.00 H new ATOM 0 HD2 ARG A 2 33.616 22.011 3.383 1.00 0.00 H new ATOM 0 HD3 ARG A 2 33.516 20.471 4.214 1.00 0.00 H new ATOM 0 HE ARG A 2 35.840 20.673 4.843 1.00 0.00 H new ATOM 0 HH11 ARG A 2 35.560 23.607 4.939 1.00 0.00 H new ATOM 0 HH12 ARG A 2 36.784 24.174 3.798 1.00 0.00 H new ATOM 0 HH21 ARG A 2 37.109 21.069 2.224 1.00 0.00 H new ATOM 0 HH22 ARG A 2 37.654 22.749 2.274 1.00 0.00 H new ATOM 37 N ILE A 3 30.417 20.955 0.579 1.00 0.00 N ATOM 38 CA ILE A 3 28.999 21.356 0.808 1.00 0.00 C ATOM 39 C ILE A 3 28.056 20.212 0.426 1.00 0.00 C ATOM 40 O ILE A 3 28.406 19.336 -0.340 1.00 0.00 O ATOM 41 CB ILE A 3 28.776 22.562 -0.104 1.00 0.00 C ATOM 42 CG1 ILE A 3 29.237 22.219 -1.523 1.00 0.00 C ATOM 43 CG2 ILE A 3 29.581 23.753 0.418 1.00 0.00 C ATOM 44 CD1 ILE A 3 28.197 22.710 -2.531 1.00 0.00 C ATOM 0 H ILE A 3 30.936 21.545 -0.072 1.00 0.00 H new ATOM 0 HA ILE A 3 28.801 21.593 1.853 1.00 0.00 H new ATOM 0 HB ILE A 3 27.716 22.817 -0.116 1.00 0.00 H new ATOM 0 HG12 ILE A 3 30.202 22.683 -1.725 1.00 0.00 H new ATOM 0 HG13 ILE A 3 29.374 21.142 -1.622 1.00 0.00 H new ATOM 0 HG21 ILE A 3 29.422 24.613 -0.233 1.00 0.00 H new ATOM 0 HG22 ILE A 3 29.255 23.998 1.429 1.00 0.00 H new ATOM 0 HG23 ILE A 3 30.641 23.499 0.430 1.00 0.00 H new ATOM 0 HD11 ILE A 3 28.526 22.466 -3.541 1.00 0.00 H new ATOM 0 HD12 ILE A 3 27.241 22.225 -2.333 1.00 0.00 H new ATOM 0 HD13 ILE A 3 28.082 23.790 -2.438 1.00 0.00 H new ATOM 56 N HIS A 4 26.863 20.212 0.955 1.00 0.00 N ATOM 57 CA HIS A 4 25.899 19.124 0.623 1.00 0.00 C ATOM 58 C HIS A 4 24.482 19.691 0.498 1.00 0.00 C ATOM 59 O HIS A 4 23.861 20.060 1.475 1.00 0.00 O ATOM 60 CB HIS A 4 25.983 18.150 1.799 1.00 0.00 C ATOM 61 CG HIS A 4 26.395 16.794 1.298 1.00 0.00 C ATOM 62 ND1 HIS A 4 25.527 15.713 1.292 1.00 0.00 N ATOM 63 CD2 HIS A 4 27.579 16.326 0.785 1.00 0.00 C ATOM 64 CE1 HIS A 4 26.195 14.659 0.792 1.00 0.00 C ATOM 65 NE2 HIS A 4 27.451 14.977 0.466 1.00 0.00 N ATOM 0 H HIS A 4 26.514 20.918 1.603 1.00 0.00 H new ATOM 0 HA HIS A 4 26.132 18.641 -0.326 1.00 0.00 H new ATOM 0 HB2 HIS A 4 26.702 18.512 2.534 1.00 0.00 H new ATOM 0 HB3 HIS A 4 25.018 18.086 2.302 1.00 0.00 H new ATOM 0 HD2 HIS A 4 28.474 16.915 0.649 1.00 0.00 H new ATOM 0 HE1 HIS A 4 25.768 13.675 0.669 1.00 0.00 H new ATOM 0 HE2 HIS A 4 28.163 14.364 0.069 1.00 0.00 H new ATOM 73 N HIS A 5 23.964 19.761 -0.698 1.00 0.00 N ATOM 74 CA HIS A 5 22.587 20.302 -0.883 1.00 0.00 C ATOM 75 C HIS A 5 22.420 21.608 -0.101 1.00 0.00 C ATOM 76 O HIS A 5 21.767 21.650 0.922 1.00 0.00 O ATOM 77 CB HIS A 5 21.661 19.221 -0.325 1.00 0.00 C ATOM 78 CG HIS A 5 21.809 17.967 -1.140 1.00 0.00 C ATOM 79 ND1 HIS A 5 21.908 16.714 -0.557 1.00 0.00 N ATOM 80 CD2 HIS A 5 21.879 17.756 -2.495 1.00 0.00 C ATOM 81 CE1 HIS A 5 22.031 15.813 -1.549 1.00 0.00 C ATOM 82 NE2 HIS A 5 22.019 16.396 -2.751 1.00 0.00 N ATOM 0 H HIS A 5 24.434 19.467 -1.554 1.00 0.00 H new ATOM 0 HA HIS A 5 22.369 20.529 -1.927 1.00 0.00 H new ATOM 0 HB2 HIS A 5 21.905 19.021 0.718 1.00 0.00 H new ATOM 0 HB3 HIS A 5 20.627 19.564 -0.350 1.00 0.00 H new ATOM 0 HD2 HIS A 5 21.832 18.529 -3.248 1.00 0.00 H new ATOM 0 HE1 HIS A 5 22.128 14.749 -1.393 1.00 0.00 H new ATOM 0 HE2 HIS A 5 22.096 15.941 -3.661 1.00 0.00 H new ATOM 90 N HIS A 6 23.005 22.673 -0.575 1.00 0.00 N ATOM 91 CA HIS A 6 22.878 23.974 0.142 1.00 0.00 C ATOM 92 C HIS A 6 21.479 24.558 -0.069 1.00 0.00 C ATOM 93 O HIS A 6 21.071 25.479 0.611 1.00 0.00 O ATOM 94 CB HIS A 6 23.940 24.878 -0.485 1.00 0.00 C ATOM 95 CG HIS A 6 25.023 25.155 0.521 1.00 0.00 C ATOM 96 ND1 HIS A 6 26.165 25.871 0.199 1.00 0.00 N ATOM 97 CD2 HIS A 6 25.152 24.820 1.846 1.00 0.00 C ATOM 98 CE1 HIS A 6 26.924 25.943 1.307 1.00 0.00 C ATOM 99 NE2 HIS A 6 26.353 25.319 2.341 1.00 0.00 N ATOM 0 H HIS A 6 23.565 22.699 -1.427 1.00 0.00 H new ATOM 0 HA HIS A 6 23.018 23.869 1.218 1.00 0.00 H new ATOM 0 HB2 HIS A 6 24.364 24.400 -1.368 1.00 0.00 H new ATOM 0 HB3 HIS A 6 23.488 25.813 -0.815 1.00 0.00 H new ATOM 0 HD2 HIS A 6 24.431 24.255 2.418 1.00 0.00 H new ATOM 0 HE1 HIS A 6 27.879 26.445 1.355 1.00 0.00 H new ATOM 0 HE2 HIS A 6 26.719 25.228 3.289 1.00 0.00 H new ATOM 107 N HIS A 7 20.740 24.029 -1.006 1.00 0.00 N ATOM 108 CA HIS A 7 19.367 24.554 -1.258 1.00 0.00 C ATOM 109 C HIS A 7 18.554 23.538 -2.067 1.00 0.00 C ATOM 110 O HIS A 7 19.031 22.975 -3.033 1.00 0.00 O ATOM 111 CB HIS A 7 19.577 25.838 -2.062 1.00 0.00 C ATOM 112 CG HIS A 7 18.806 26.962 -1.424 1.00 0.00 C ATOM 113 ND1 HIS A 7 19.359 27.778 -0.449 1.00 0.00 N ATOM 114 CD2 HIS A 7 17.525 27.418 -1.612 1.00 0.00 C ATOM 115 CE1 HIS A 7 18.421 28.673 -0.090 1.00 0.00 C ATOM 116 NE2 HIS A 7 17.284 28.499 -0.768 1.00 0.00 N ATOM 0 H HIS A 7 21.027 23.257 -1.607 1.00 0.00 H new ATOM 0 HA HIS A 7 18.817 24.737 -0.335 1.00 0.00 H new ATOM 0 HB2 HIS A 7 20.638 26.086 -2.100 1.00 0.00 H new ATOM 0 HB3 HIS A 7 19.246 25.694 -3.091 1.00 0.00 H new ATOM 0 HD2 HIS A 7 16.812 27.002 -2.309 1.00 0.00 H new ATOM 0 HE1 HIS A 7 18.570 29.439 0.656 1.00 0.00 H new ATOM 0 HE2 HIS A 7 16.424 29.041 -0.685 1.00 0.00 H new ATOM 124 N HIS A 8 17.330 23.297 -1.680 1.00 0.00 N ATOM 125 CA HIS A 8 16.491 22.317 -2.429 1.00 0.00 C ATOM 126 C HIS A 8 15.111 22.912 -2.719 1.00 0.00 C ATOM 127 O HIS A 8 14.365 23.243 -1.818 1.00 0.00 O ATOM 128 CB HIS A 8 16.369 21.108 -1.500 1.00 0.00 C ATOM 129 CG HIS A 8 16.959 19.898 -2.170 1.00 0.00 C ATOM 130 ND1 HIS A 8 16.216 19.082 -3.010 1.00 0.00 N ATOM 131 CD2 HIS A 8 18.218 19.352 -2.136 1.00 0.00 C ATOM 132 CE1 HIS A 8 17.027 18.099 -3.442 1.00 0.00 C ATOM 133 NE2 HIS A 8 18.259 18.217 -2.939 1.00 0.00 N ATOM 0 H HIS A 8 16.875 23.735 -0.879 1.00 0.00 H new ATOM 0 HA HIS A 8 16.929 22.050 -3.391 1.00 0.00 H new ATOM 0 HB2 HIS A 8 16.886 21.305 -0.561 1.00 0.00 H new ATOM 0 HB3 HIS A 8 15.322 20.928 -1.256 1.00 0.00 H new ATOM 0 HD2 HIS A 8 19.051 19.744 -1.571 1.00 0.00 H new ATOM 0 HE1 HIS A 8 16.720 17.311 -4.113 1.00 0.00 H new ATOM 0 HE2 HIS A 8 19.058 17.606 -3.108 1.00 0.00 H new ATOM 141 N HIS A 9 14.765 23.050 -3.970 1.00 0.00 N ATOM 142 CA HIS A 9 13.433 23.625 -4.317 1.00 0.00 C ATOM 143 C HIS A 9 12.705 22.716 -5.310 1.00 0.00 C ATOM 144 O HIS A 9 11.665 22.163 -5.013 1.00 0.00 O ATOM 145 CB HIS A 9 13.741 24.979 -4.956 1.00 0.00 C ATOM 146 CG HIS A 9 13.117 26.074 -4.136 1.00 0.00 C ATOM 147 ND1 HIS A 9 13.203 26.102 -2.753 1.00 0.00 N ATOM 148 CD2 HIS A 9 12.393 27.186 -4.489 1.00 0.00 C ATOM 149 CE1 HIS A 9 12.548 27.198 -2.328 1.00 0.00 C ATOM 150 NE2 HIS A 9 12.035 27.895 -3.346 1.00 0.00 N ATOM 0 H HIS A 9 15.346 22.790 -4.767 1.00 0.00 H new ATOM 0 HA HIS A 9 12.786 23.723 -3.445 1.00 0.00 H new ATOM 0 HB2 HIS A 9 14.819 25.127 -5.019 1.00 0.00 H new ATOM 0 HB3 HIS A 9 13.355 25.008 -5.975 1.00 0.00 H new ATOM 0 HD1 HIS A 9 13.677 25.417 -2.164 1.00 0.00 H new ATOM 0 HD2 HIS A 9 12.140 27.468 -5.500 1.00 0.00 H new ATOM 0 HE1 HIS A 9 12.449 27.480 -1.290 1.00 0.00 H new ATOM 158 N ILE A 10 13.243 22.558 -6.489 1.00 0.00 N ATOM 159 CA ILE A 10 12.580 21.685 -7.500 1.00 0.00 C ATOM 160 C ILE A 10 13.570 20.644 -8.028 1.00 0.00 C ATOM 161 O ILE A 10 13.386 19.455 -7.858 1.00 0.00 O ATOM 162 CB ILE A 10 12.150 22.633 -8.620 1.00 0.00 C ATOM 163 CG1 ILE A 10 10.996 23.511 -8.129 1.00 0.00 C ATOM 164 CG2 ILE A 10 11.690 21.820 -9.831 1.00 0.00 C ATOM 165 CD1 ILE A 10 11.325 24.981 -8.390 1.00 0.00 C ATOM 0 H ILE A 10 14.112 22.995 -6.796 1.00 0.00 H new ATOM 0 HA ILE A 10 11.735 21.137 -7.083 1.00 0.00 H new ATOM 0 HB ILE A 10 12.993 23.263 -8.905 1.00 0.00 H new ATOM 0 HG12 ILE A 10 10.074 23.237 -8.642 1.00 0.00 H new ATOM 0 HG13 ILE A 10 10.829 23.348 -7.064 1.00 0.00 H new ATOM 0 HG21 ILE A 10 11.384 22.497 -10.629 1.00 0.00 H new ATOM 0 HG22 ILE A 10 12.510 21.194 -10.182 1.00 0.00 H new ATOM 0 HG23 ILE A 10 10.848 21.189 -9.547 1.00 0.00 H new ATOM 0 HD11 ILE A 10 10.503 25.605 -8.040 1.00 0.00 H new ATOM 0 HD12 ILE A 10 12.237 25.250 -7.857 1.00 0.00 H new ATOM 0 HD13 ILE A 10 11.470 25.137 -9.459 1.00 0.00 H new ATOM 177 N GLU A 11 14.619 21.081 -8.669 1.00 0.00 N ATOM 178 CA GLU A 11 15.620 20.116 -9.208 1.00 0.00 C ATOM 179 C GLU A 11 16.389 19.456 -8.059 1.00 0.00 C ATOM 180 O GLU A 11 16.700 20.083 -7.067 1.00 0.00 O ATOM 181 CB GLU A 11 16.560 20.960 -10.069 1.00 0.00 C ATOM 182 CG GLU A 11 17.325 21.942 -9.178 1.00 0.00 C ATOM 183 CD GLU A 11 17.880 23.082 -10.034 1.00 0.00 C ATOM 184 OE1 GLU A 11 18.571 22.792 -10.996 1.00 0.00 O ATOM 185 OE2 GLU A 11 17.606 24.226 -9.711 1.00 0.00 O ATOM 0 H GLU A 11 14.827 22.064 -8.843 1.00 0.00 H new ATOM 0 HA GLU A 11 15.155 19.314 -9.781 1.00 0.00 H new ATOM 0 HB2 GLU A 11 17.259 20.316 -10.602 1.00 0.00 H new ATOM 0 HB3 GLU A 11 15.990 21.504 -10.822 1.00 0.00 H new ATOM 0 HG2 GLU A 11 16.665 22.340 -8.407 1.00 0.00 H new ATOM 0 HG3 GLU A 11 18.139 21.428 -8.667 1.00 0.00 H new ATOM 192 N GLY A 12 16.697 18.193 -8.187 1.00 0.00 N ATOM 193 CA GLY A 12 17.445 17.495 -7.102 1.00 0.00 C ATOM 194 C GLY A 12 17.948 16.144 -7.614 1.00 0.00 C ATOM 195 O GLY A 12 18.640 16.065 -8.610 1.00 0.00 O ATOM 0 H GLY A 12 16.463 17.615 -8.995 1.00 0.00 H new ATOM 0 HA2 GLY A 12 18.285 18.107 -6.774 1.00 0.00 H new ATOM 0 HA3 GLY A 12 16.799 17.350 -6.236 1.00 0.00 H new ATOM 199 N ARG A 13 17.605 15.079 -6.941 1.00 0.00 N ATOM 200 CA ARG A 13 18.064 13.732 -7.391 1.00 0.00 C ATOM 201 C ARG A 13 16.888 12.750 -7.399 1.00 0.00 C ATOM 202 O ARG A 13 16.641 12.071 -8.375 1.00 0.00 O ATOM 203 CB ARG A 13 19.113 13.306 -6.362 1.00 0.00 C ATOM 204 CG ARG A 13 19.576 11.879 -6.664 1.00 0.00 C ATOM 205 CD ARG A 13 19.786 11.122 -5.350 1.00 0.00 C ATOM 206 NE ARG A 13 20.212 9.755 -5.758 1.00 0.00 N ATOM 207 CZ ARG A 13 20.412 8.836 -4.853 1.00 0.00 C ATOM 208 NH1 ARG A 13 19.398 8.197 -4.337 1.00 0.00 N ATOM 209 NH2 ARG A 13 21.625 8.555 -4.465 1.00 0.00 N ATOM 0 H ARG A 13 17.028 15.083 -6.100 1.00 0.00 H new ATOM 0 HA ARG A 13 18.470 13.750 -8.402 1.00 0.00 H new ATOM 0 HB2 ARG A 13 19.962 13.988 -6.389 1.00 0.00 H new ATOM 0 HB3 ARG A 13 18.694 13.359 -5.357 1.00 0.00 H new ATOM 0 HG2 ARG A 13 18.834 11.367 -7.277 1.00 0.00 H new ATOM 0 HG3 ARG A 13 20.503 11.900 -7.237 1.00 0.00 H new ATOM 0 HD2 ARG A 13 20.544 11.604 -4.733 1.00 0.00 H new ATOM 0 HD3 ARG A 13 18.869 11.091 -4.761 1.00 0.00 H new ATOM 0 HE ARG A 13 20.348 9.537 -6.745 1.00 0.00 H new ATOM 0 HH11 ARG A 13 18.449 8.416 -4.641 1.00 0.00 H new ATOM 0 HH12 ARG A 13 19.554 7.479 -3.630 1.00 0.00 H new ATOM 0 HH21 ARG A 13 22.418 9.054 -4.869 1.00 0.00 H new ATOM 0 HH22 ARG A 13 21.781 7.837 -3.758 1.00 0.00 H new ATOM 223 N ALA A 14 16.161 12.672 -6.318 1.00 0.00 N ATOM 224 CA ALA A 14 15.001 11.736 -6.265 1.00 0.00 C ATOM 225 C ALA A 14 13.861 12.356 -5.455 1.00 0.00 C ATOM 226 O ALA A 14 13.430 11.803 -4.463 1.00 0.00 O ATOM 227 CB ALA A 14 15.533 10.483 -5.569 1.00 0.00 C ATOM 0 H ALA A 14 16.320 13.215 -5.469 1.00 0.00 H new ATOM 0 HA ALA A 14 14.604 11.513 -7.255 1.00 0.00 H new ATOM 0 HB1 ALA A 14 14.736 9.744 -5.491 1.00 0.00 H new ATOM 0 HB2 ALA A 14 16.358 10.068 -6.148 1.00 0.00 H new ATOM 0 HB3 ALA A 14 15.885 10.743 -4.571 1.00 0.00 H new ATOM 233 N PRO A 15 13.410 13.493 -5.911 1.00 0.00 N ATOM 234 CA PRO A 15 12.306 14.207 -5.224 1.00 0.00 C ATOM 235 C PRO A 15 10.978 13.478 -5.443 1.00 0.00 C ATOM 236 O PRO A 15 10.073 13.560 -4.636 1.00 0.00 O ATOM 237 CB PRO A 15 12.294 15.577 -5.896 1.00 0.00 C ATOM 238 CG PRO A 15 12.907 15.354 -7.242 1.00 0.00 C ATOM 239 CD PRO A 15 13.881 14.213 -7.099 1.00 0.00 C ATOM 0 HA PRO A 15 12.441 14.269 -4.144 1.00 0.00 H new ATOM 0 HB2 PRO A 15 11.279 15.964 -5.984 1.00 0.00 H new ATOM 0 HB3 PRO A 15 12.864 16.305 -5.318 1.00 0.00 H new ATOM 0 HG2 PRO A 15 12.141 15.117 -7.980 1.00 0.00 H new ATOM 0 HG3 PRO A 15 13.415 16.254 -7.588 1.00 0.00 H new ATOM 0 HD2 PRO A 15 13.878 13.573 -7.981 1.00 0.00 H new ATOM 0 HD3 PRO A 15 14.902 14.573 -6.969 1.00 0.00 H new ATOM 247 N THR A 16 10.853 12.765 -6.528 1.00 0.00 N ATOM 248 CA THR A 16 9.585 12.032 -6.797 1.00 0.00 C ATOM 249 C THR A 16 9.779 10.534 -6.545 1.00 0.00 C ATOM 250 O THR A 16 10.510 10.132 -5.662 1.00 0.00 O ATOM 251 CB THR A 16 9.287 12.294 -8.273 1.00 0.00 C ATOM 252 OG1 THR A 16 10.155 11.506 -9.076 1.00 0.00 O ATOM 253 CG2 THR A 16 9.503 13.775 -8.587 1.00 0.00 C ATOM 0 H THR A 16 11.575 12.658 -7.240 1.00 0.00 H new ATOM 0 HA THR A 16 8.770 12.359 -6.151 1.00 0.00 H new ATOM 0 HB THR A 16 8.252 12.029 -8.487 1.00 0.00 H new ATOM 0 HG1 THR A 16 9.964 11.671 -10.023 1.00 0.00 H new ATOM 0 HG21 THR A 16 9.290 13.959 -9.640 1.00 0.00 H new ATOM 0 HG22 THR A 16 8.836 14.379 -7.971 1.00 0.00 H new ATOM 0 HG23 THR A 16 10.537 14.045 -8.374 1.00 0.00 H new ATOM 261 N GLU A 17 9.128 9.705 -7.314 1.00 0.00 N ATOM 262 CA GLU A 17 9.271 8.238 -7.121 1.00 0.00 C ATOM 263 C GLU A 17 10.733 7.821 -7.306 1.00 0.00 C ATOM 264 O GLU A 17 11.421 8.311 -8.179 1.00 0.00 O ATOM 265 CB GLU A 17 8.393 7.613 -8.206 1.00 0.00 C ATOM 266 CG GLU A 17 7.693 6.372 -7.650 1.00 0.00 C ATOM 267 CD GLU A 17 6.947 5.660 -8.779 1.00 0.00 C ATOM 268 OE1 GLU A 17 6.997 6.149 -9.896 1.00 0.00 O ATOM 269 OE2 GLU A 17 6.337 4.638 -8.509 1.00 0.00 O ATOM 0 H GLU A 17 8.502 9.983 -8.069 1.00 0.00 H new ATOM 0 HA GLU A 17 8.975 7.920 -6.121 1.00 0.00 H new ATOM 0 HB2 GLU A 17 7.654 8.336 -8.550 1.00 0.00 H new ATOM 0 HB3 GLU A 17 9.001 7.343 -9.069 1.00 0.00 H new ATOM 0 HG2 GLU A 17 8.424 5.699 -7.201 1.00 0.00 H new ATOM 0 HG3 GLU A 17 6.996 6.657 -6.862 1.00 0.00 H new ATOM 276 N GLN A 18 11.212 6.920 -6.493 1.00 0.00 N ATOM 277 CA GLN A 18 12.619 6.475 -6.622 1.00 0.00 C ATOM 278 C GLN A 18 12.692 4.946 -6.648 1.00 0.00 C ATOM 279 O GLN A 18 11.858 4.285 -7.235 1.00 0.00 O ATOM 280 CB GLN A 18 13.333 7.033 -5.390 1.00 0.00 C ATOM 281 CG GLN A 18 12.748 6.399 -4.126 1.00 0.00 C ATOM 282 CD GLN A 18 11.781 7.381 -3.462 1.00 0.00 C ATOM 283 OE1 GLN A 18 11.223 8.238 -4.117 1.00 0.00 O ATOM 284 NE2 GLN A 18 11.557 7.291 -2.179 1.00 0.00 N ATOM 0 H GLN A 18 10.683 6.474 -5.743 1.00 0.00 H new ATOM 0 HA GLN A 18 13.078 6.827 -7.546 1.00 0.00 H new ATOM 0 HB2 GLN A 18 14.401 6.826 -5.452 1.00 0.00 H new ATOM 0 HB3 GLN A 18 13.220 8.116 -5.351 1.00 0.00 H new ATOM 0 HG2 GLN A 18 12.228 5.474 -4.377 1.00 0.00 H new ATOM 0 HG3 GLN A 18 13.548 6.137 -3.434 1.00 0.00 H new ATOM 0 HE21 GLN A 18 12.026 6.571 -1.629 1.00 0.00 H new ATOM 0 HE22 GLN A 18 10.913 7.940 -1.727 1.00 0.00 H new ATOM 293 N SER A 19 13.683 4.378 -6.017 1.00 0.00 N ATOM 294 CA SER A 19 13.805 2.892 -6.007 1.00 0.00 C ATOM 295 C SER A 19 12.436 2.255 -5.750 1.00 0.00 C ATOM 296 O SER A 19 11.960 2.236 -4.633 1.00 0.00 O ATOM 297 CB SER A 19 14.766 2.581 -4.861 1.00 0.00 C ATOM 298 OG SER A 19 15.448 1.364 -5.135 1.00 0.00 O ATOM 0 H SER A 19 14.413 4.877 -5.509 1.00 0.00 H new ATOM 0 HA SER A 19 14.166 2.499 -6.957 1.00 0.00 H new ATOM 0 HB2 SER A 19 15.483 3.394 -4.742 1.00 0.00 H new ATOM 0 HB3 SER A 19 14.217 2.500 -3.923 1.00 0.00 H new ATOM 0 HG SER A 19 16.066 1.163 -4.402 1.00 0.00 H new ATOM 304 N PRO A 20 11.847 1.755 -6.803 1.00 0.00 N ATOM 305 CA PRO A 20 10.515 1.111 -6.697 1.00 0.00 C ATOM 306 C PRO A 20 10.630 -0.254 -6.011 1.00 0.00 C ATOM 307 O PRO A 20 11.029 -1.230 -6.614 1.00 0.00 O ATOM 308 CB PRO A 20 10.078 0.953 -8.150 1.00 0.00 C ATOM 309 CG PRO A 20 11.350 0.922 -8.936 1.00 0.00 C ATOM 310 CD PRO A 20 12.361 1.743 -8.177 1.00 0.00 C ATOM 0 HA PRO A 20 9.807 1.689 -6.103 1.00 0.00 H new ATOM 0 HB2 PRO A 20 9.504 0.037 -8.292 1.00 0.00 H new ATOM 0 HB3 PRO A 20 9.441 1.780 -8.463 1.00 0.00 H new ATOM 0 HG2 PRO A 20 11.701 -0.102 -9.060 1.00 0.00 H new ATOM 0 HG3 PRO A 20 11.195 1.329 -9.935 1.00 0.00 H new ATOM 0 HD2 PRO A 20 13.355 1.299 -8.228 1.00 0.00 H new ATOM 0 HD3 PRO A 20 12.442 2.752 -8.582 1.00 0.00 H new ATOM 318 N GLY A 21 10.282 -0.330 -4.756 1.00 0.00 N ATOM 319 CA GLY A 21 10.371 -1.632 -4.036 1.00 0.00 C ATOM 320 C GLY A 21 9.795 -1.478 -2.627 1.00 0.00 C ATOM 321 O GLY A 21 8.731 -0.922 -2.438 1.00 0.00 O ATOM 0 H GLY A 21 9.940 0.452 -4.198 1.00 0.00 H new ATOM 0 HA2 GLY A 21 9.823 -2.400 -4.582 1.00 0.00 H new ATOM 0 HA3 GLY A 21 11.409 -1.959 -3.982 1.00 0.00 H new ATOM 325 N VAL A 22 10.488 -1.968 -1.635 1.00 0.00 N ATOM 326 CA VAL A 22 9.978 -1.849 -0.238 1.00 0.00 C ATOM 327 C VAL A 22 9.573 -0.403 0.056 1.00 0.00 C ATOM 328 O VAL A 22 10.325 0.522 -0.181 1.00 0.00 O ATOM 329 CB VAL A 22 11.150 -2.266 0.650 1.00 0.00 C ATOM 330 CG1 VAL A 22 11.479 -3.739 0.405 1.00 0.00 C ATOM 331 CG2 VAL A 22 12.373 -1.408 0.316 1.00 0.00 C ATOM 0 H VAL A 22 11.384 -2.445 -1.731 1.00 0.00 H new ATOM 0 HA VAL A 22 9.097 -2.468 -0.068 1.00 0.00 H new ATOM 0 HB VAL A 22 10.880 -2.124 1.697 1.00 0.00 H new ATOM 0 HG11 VAL A 22 12.315 -4.035 1.039 1.00 0.00 H new ATOM 0 HG12 VAL A 22 10.609 -4.351 0.643 1.00 0.00 H new ATOM 0 HG13 VAL A 22 11.748 -3.882 -0.641 1.00 0.00 H new ATOM 0 HG21 VAL A 22 13.209 -1.705 0.949 1.00 0.00 H new ATOM 0 HG22 VAL A 22 12.642 -1.550 -0.731 1.00 0.00 H new ATOM 0 HG23 VAL A 22 12.140 -0.358 0.492 1.00 0.00 H new ATOM 341 N GLN A 23 8.393 -0.203 0.577 1.00 0.00 N ATOM 342 CA GLN A 23 7.939 1.177 0.893 1.00 0.00 C ATOM 343 C GLN A 23 6.535 1.147 1.505 1.00 0.00 C ATOM 344 O GLN A 23 5.544 1.096 0.803 1.00 0.00 O ATOM 345 CB GLN A 23 7.922 1.913 -0.447 1.00 0.00 C ATOM 346 CG GLN A 23 7.515 3.370 -0.223 1.00 0.00 C ATOM 347 CD GLN A 23 7.854 4.194 -1.467 1.00 0.00 C ATOM 348 OE1 GLN A 23 8.894 4.007 -2.068 1.00 0.00 O ATOM 349 NE2 GLN A 23 7.016 5.104 -1.882 1.00 0.00 N ATOM 0 H GLN A 23 7.723 -0.940 0.797 1.00 0.00 H new ATOM 0 HA GLN A 23 8.592 1.666 1.616 1.00 0.00 H new ATOM 0 HB2 GLN A 23 8.907 1.867 -0.912 1.00 0.00 H new ATOM 0 HB3 GLN A 23 7.224 1.430 -1.131 1.00 0.00 H new ATOM 0 HG2 GLN A 23 6.447 3.432 -0.013 1.00 0.00 H new ATOM 0 HG3 GLN A 23 8.034 3.774 0.646 1.00 0.00 H new ATOM 0 HE21 GLN A 23 6.143 5.261 -1.378 1.00 0.00 H new ATOM 0 HE22 GLN A 23 7.234 5.658 -2.710 1.00 0.00 H new ATOM 358 N ASP A 24 6.441 1.183 2.806 1.00 0.00 N ATOM 359 CA ASP A 24 5.099 1.161 3.455 1.00 0.00 C ATOM 360 C ASP A 24 4.297 2.397 3.039 1.00 0.00 C ATOM 361 O ASP A 24 4.381 3.440 3.658 1.00 0.00 O ATOM 362 CB ASP A 24 5.384 1.188 4.958 1.00 0.00 C ATOM 363 CG ASP A 24 6.276 0.002 5.331 1.00 0.00 C ATOM 364 OD1 ASP A 24 6.852 -0.587 4.431 1.00 0.00 O ATOM 365 OD2 ASP A 24 6.369 -0.296 6.510 1.00 0.00 O ATOM 0 H ASP A 24 7.233 1.227 3.447 1.00 0.00 H new ATOM 0 HA ASP A 24 4.514 0.287 3.169 1.00 0.00 H new ATOM 0 HB2 ASP A 24 5.873 2.124 5.229 1.00 0.00 H new ATOM 0 HB3 ASP A 24 4.449 1.143 5.517 1.00 0.00 H new ATOM 370 N CYS A 25 3.522 2.291 1.995 1.00 0.00 N ATOM 371 CA CYS A 25 2.719 3.468 1.545 1.00 0.00 C ATOM 372 C CYS A 25 1.558 3.026 0.658 1.00 0.00 C ATOM 373 O CYS A 25 1.603 1.997 0.013 1.00 0.00 O ATOM 374 CB CYS A 25 3.683 4.330 0.738 1.00 0.00 C ATOM 375 SG CYS A 25 3.450 6.070 1.161 1.00 0.00 S ATOM 0 H CYS A 25 3.409 1.446 1.435 1.00 0.00 H new ATOM 0 HA CYS A 25 2.291 4.004 2.392 1.00 0.00 H new ATOM 0 HB2 CYS A 25 4.711 4.031 0.943 1.00 0.00 H new ATOM 0 HB3 CYS A 25 3.514 4.180 -0.328 1.00 0.00 H new ATOM 380 N TYR A 26 0.525 3.814 0.615 1.00 0.00 N ATOM 381 CA TYR A 26 -0.650 3.475 -0.236 1.00 0.00 C ATOM 382 C TYR A 26 -1.470 4.738 -0.503 1.00 0.00 C ATOM 383 O TYR A 26 -1.534 5.630 0.320 1.00 0.00 O ATOM 384 CB TYR A 26 -1.457 2.451 0.568 1.00 0.00 C ATOM 385 CG TYR A 26 -2.168 3.131 1.716 1.00 0.00 C ATOM 386 CD1 TYR A 26 -3.280 3.947 1.473 1.00 0.00 C ATOM 387 CD2 TYR A 26 -1.718 2.936 3.026 1.00 0.00 C ATOM 388 CE1 TYR A 26 -3.938 4.569 2.540 1.00 0.00 C ATOM 389 CE2 TYR A 26 -2.378 3.557 4.094 1.00 0.00 C ATOM 390 CZ TYR A 26 -3.488 4.374 3.850 1.00 0.00 C ATOM 391 OH TYR A 26 -4.139 4.986 4.902 1.00 0.00 O ATOM 0 H TYR A 26 0.441 4.687 1.137 1.00 0.00 H new ATOM 0 HA TYR A 26 -0.361 3.070 -1.206 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -2.184 1.960 -0.080 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -0.795 1.674 0.950 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -3.630 4.096 0.462 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -0.861 2.306 3.214 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -4.794 5.200 2.352 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -2.031 3.405 5.105 1.00 0.00 H new ATOM 0 HH TYR A 26 -3.699 4.745 5.744 1.00 0.00 H new ATOM 401 N HIS A 27 -2.099 4.826 -1.640 1.00 0.00 N ATOM 402 CA HIS A 27 -2.911 6.039 -1.940 1.00 0.00 C ATOM 403 C HIS A 27 -4.394 5.755 -1.684 1.00 0.00 C ATOM 404 O HIS A 27 -4.826 4.619 -1.688 1.00 0.00 O ATOM 405 CB HIS A 27 -2.668 6.324 -3.423 1.00 0.00 C ATOM 406 CG HIS A 27 -1.194 6.492 -3.669 1.00 0.00 C ATOM 407 ND1 HIS A 27 -0.365 7.149 -2.774 1.00 0.00 N ATOM 408 CD2 HIS A 27 -0.387 6.095 -4.706 1.00 0.00 C ATOM 409 CE1 HIS A 27 0.880 7.128 -3.284 1.00 0.00 C ATOM 410 NE2 HIS A 27 0.923 6.497 -4.460 1.00 0.00 N ATOM 0 H HIS A 27 -2.087 4.116 -2.372 1.00 0.00 H new ATOM 0 HA HIS A 27 -2.635 6.887 -1.313 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -3.057 5.506 -4.029 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -3.202 7.226 -3.723 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -0.718 5.553 -5.580 1.00 0.00 H new ATOM 0 HE1 HIS A 27 1.740 7.568 -2.801 1.00 0.00 H new ATOM 0 HE2 HIS A 27 1.740 6.343 -5.051 1.00 0.00 H new ATOM 418 N GLY A 28 -5.175 6.775 -1.456 1.00 0.00 N ATOM 419 CA GLY A 28 -6.626 6.555 -1.194 1.00 0.00 C ATOM 420 C GLY A 28 -6.778 5.543 -0.062 1.00 0.00 C ATOM 421 O GLY A 28 -6.327 5.764 1.043 1.00 0.00 O ATOM 0 H GLY A 28 -4.872 7.749 -1.440 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -7.107 7.496 -0.925 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -7.120 6.190 -2.094 1.00 0.00 H new ATOM 425 N ASP A 29 -7.397 4.428 -0.329 1.00 0.00 N ATOM 426 CA ASP A 29 -7.557 3.400 0.736 1.00 0.00 C ATOM 427 C ASP A 29 -6.990 2.075 0.254 1.00 0.00 C ATOM 428 O ASP A 29 -7.687 1.085 0.157 1.00 0.00 O ATOM 429 CB ASP A 29 -9.062 3.295 0.983 1.00 0.00 C ATOM 430 CG ASP A 29 -9.649 4.696 1.162 1.00 0.00 C ATOM 431 OD1 ASP A 29 -9.226 5.382 2.077 1.00 0.00 O ATOM 432 OD2 ASP A 29 -10.513 5.059 0.381 1.00 0.00 O ATOM 0 H ASP A 29 -7.798 4.184 -1.235 1.00 0.00 H new ATOM 0 HA ASP A 29 -7.027 3.663 1.652 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -9.544 2.791 0.145 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -9.254 2.692 1.871 1.00 0.00 H new ATOM 437 N GLY A 30 -5.730 2.057 -0.081 1.00 0.00 N ATOM 438 CA GLY A 30 -5.123 0.802 -0.595 1.00 0.00 C ATOM 439 C GLY A 30 -5.804 0.447 -1.916 1.00 0.00 C ATOM 440 O GLY A 30 -5.600 -0.615 -2.470 1.00 0.00 O ATOM 0 H GLY A 30 -5.098 2.855 -0.021 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -4.051 0.931 -0.743 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -5.250 -0.005 0.127 1.00 0.00 H new ATOM 444 N GLN A 31 -6.623 1.336 -2.422 1.00 0.00 N ATOM 445 CA GLN A 31 -7.332 1.060 -3.704 1.00 0.00 C ATOM 446 C GLN A 31 -6.389 1.256 -4.895 1.00 0.00 C ATOM 447 O GLN A 31 -6.452 0.538 -5.874 1.00 0.00 O ATOM 448 CB GLN A 31 -8.467 2.083 -3.749 1.00 0.00 C ATOM 449 CG GLN A 31 -9.770 1.384 -4.137 1.00 0.00 C ATOM 450 CD GLN A 31 -10.470 0.876 -2.876 1.00 0.00 C ATOM 451 OE1 GLN A 31 -9.988 1.072 -1.778 1.00 0.00 O ATOM 452 NE2 GLN A 31 -11.597 0.227 -2.987 1.00 0.00 N ATOM 0 H GLN A 31 -6.830 2.241 -2.000 1.00 0.00 H new ATOM 0 HA GLN A 31 -7.696 0.034 -3.759 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -8.576 2.564 -2.777 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -8.235 2.868 -4.469 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -10.420 2.075 -4.674 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -9.563 0.553 -4.811 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -12.002 0.062 -3.909 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -12.073 -0.115 -2.152 1.00 0.00 H new ATOM 461 N SER A 32 -5.520 2.226 -4.824 1.00 0.00 N ATOM 462 CA SER A 32 -4.580 2.473 -5.956 1.00 0.00 C ATOM 463 C SER A 32 -3.490 1.398 -5.997 1.00 0.00 C ATOM 464 O SER A 32 -2.612 1.427 -6.837 1.00 0.00 O ATOM 465 CB SER A 32 -3.972 3.845 -5.670 1.00 0.00 C ATOM 466 OG SER A 32 -2.566 3.790 -5.875 1.00 0.00 O ATOM 0 H SER A 32 -5.419 2.859 -4.031 1.00 0.00 H new ATOM 0 HA SER A 32 -5.084 2.441 -6.922 1.00 0.00 H new ATOM 0 HB2 SER A 32 -4.417 4.596 -6.323 1.00 0.00 H new ATOM 0 HB3 SER A 32 -4.190 4.145 -4.645 1.00 0.00 H new ATOM 0 HG SER A 32 -2.290 4.532 -6.453 1.00 0.00 H new ATOM 472 N TYR A 33 -3.533 0.450 -5.101 1.00 0.00 N ATOM 473 CA TYR A 33 -2.493 -0.617 -5.103 1.00 0.00 C ATOM 474 C TYR A 33 -2.740 -1.596 -6.253 1.00 0.00 C ATOM 475 O TYR A 33 -3.804 -2.168 -6.377 1.00 0.00 O ATOM 476 CB TYR A 33 -2.639 -1.326 -3.757 1.00 0.00 C ATOM 477 CG TYR A 33 -1.268 -1.601 -3.190 1.00 0.00 C ATOM 478 CD1 TYR A 33 -0.633 -0.635 -2.400 1.00 0.00 C ATOM 479 CD2 TYR A 33 -0.627 -2.816 -3.460 1.00 0.00 C ATOM 480 CE1 TYR A 33 0.641 -0.883 -1.879 1.00 0.00 C ATOM 481 CE2 TYR A 33 0.649 -3.064 -2.940 1.00 0.00 C ATOM 482 CZ TYR A 33 1.283 -2.097 -2.149 1.00 0.00 C ATOM 483 OH TYR A 33 2.541 -2.340 -1.636 1.00 0.00 O ATOM 0 H TYR A 33 -4.240 0.368 -4.371 1.00 0.00 H new ATOM 0 HA TYR A 33 -1.491 -0.210 -5.240 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -3.214 -0.708 -3.067 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -3.188 -2.259 -3.882 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -1.127 0.303 -2.193 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -1.117 -3.562 -4.069 1.00 0.00 H new ATOM 0 HE1 TYR A 33 1.129 -0.138 -1.268 1.00 0.00 H new ATOM 0 HE2 TYR A 33 1.145 -4.001 -3.149 1.00 0.00 H new ATOM 0 HH TYR A 33 2.462 -2.864 -0.812 1.00 0.00 H new ATOM 493 N ARG A 34 -1.762 -1.796 -7.094 1.00 0.00 N ATOM 494 CA ARG A 34 -1.938 -2.740 -8.233 1.00 0.00 C ATOM 495 C ARG A 34 -0.686 -3.603 -8.392 1.00 0.00 C ATOM 496 O ARG A 34 -0.471 -4.221 -9.416 1.00 0.00 O ATOM 497 CB ARG A 34 -2.134 -1.853 -9.461 1.00 0.00 C ATOM 498 CG ARG A 34 -3.252 -2.427 -10.332 1.00 0.00 C ATOM 499 CD ARG A 34 -3.845 -1.315 -11.200 1.00 0.00 C ATOM 500 NE ARG A 34 -2.667 -0.610 -11.777 1.00 0.00 N ATOM 501 CZ ARG A 34 -2.461 0.650 -11.502 1.00 0.00 C ATOM 502 NH1 ARG A 34 -3.435 1.511 -11.616 1.00 0.00 N ATOM 503 NH2 ARG A 34 -1.280 1.048 -11.114 1.00 0.00 N ATOM 0 H ARG A 34 -0.848 -1.346 -7.041 1.00 0.00 H new ATOM 0 HA ARG A 34 -2.780 -3.416 -8.084 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -2.383 -0.838 -9.153 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -1.207 -1.794 -10.032 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -2.862 -3.226 -10.962 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -4.028 -2.866 -9.704 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -4.484 -1.723 -11.983 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -4.460 -0.637 -10.608 1.00 0.00 H new ATOM 0 HE ARG A 34 -2.021 -1.111 -12.387 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -4.358 1.200 -11.920 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -3.274 2.495 -11.401 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -0.519 0.375 -11.026 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -1.119 2.032 -10.899 1.00 0.00 H new ATOM 517 N GLY A 35 0.143 -3.648 -7.386 1.00 0.00 N ATOM 518 CA GLY A 35 1.383 -4.468 -7.477 1.00 0.00 C ATOM 519 C GLY A 35 1.202 -5.758 -6.676 1.00 0.00 C ATOM 520 O GLY A 35 0.097 -6.157 -6.366 1.00 0.00 O ATOM 0 H GLY A 35 0.015 -3.152 -6.504 1.00 0.00 H new ATOM 0 HA2 GLY A 35 1.601 -4.702 -8.519 1.00 0.00 H new ATOM 0 HA3 GLY A 35 2.233 -3.905 -7.092 1.00 0.00 H new ATOM 524 N SER A 36 2.277 -6.415 -6.339 1.00 0.00 N ATOM 525 CA SER A 36 2.162 -7.680 -5.558 1.00 0.00 C ATOM 526 C SER A 36 2.844 -7.528 -4.196 1.00 0.00 C ATOM 527 O SER A 36 3.737 -8.278 -3.851 1.00 0.00 O ATOM 528 CB SER A 36 2.878 -8.732 -6.404 1.00 0.00 C ATOM 529 OG SER A 36 3.758 -8.085 -7.313 1.00 0.00 O ATOM 0 H SER A 36 3.229 -6.132 -6.570 1.00 0.00 H new ATOM 0 HA SER A 36 1.125 -7.951 -5.362 1.00 0.00 H new ATOM 0 HB2 SER A 36 3.437 -9.413 -5.762 1.00 0.00 H new ATOM 0 HB3 SER A 36 2.151 -9.333 -6.950 1.00 0.00 H new ATOM 0 HG SER A 36 4.220 -8.758 -7.856 1.00 0.00 H new ATOM 535 N PHE A 37 2.430 -6.567 -3.418 1.00 0.00 N ATOM 536 CA PHE A 37 3.053 -6.371 -2.077 1.00 0.00 C ATOM 537 C PHE A 37 2.531 -7.420 -1.097 1.00 0.00 C ATOM 538 O PHE A 37 1.780 -7.119 -0.191 1.00 0.00 O ATOM 539 CB PHE A 37 2.629 -4.969 -1.643 1.00 0.00 C ATOM 540 CG PHE A 37 3.249 -4.644 -0.305 1.00 0.00 C ATOM 541 CD1 PHE A 37 4.558 -4.153 -0.241 1.00 0.00 C ATOM 542 CD2 PHE A 37 2.514 -4.835 0.871 1.00 0.00 C ATOM 543 CE1 PHE A 37 5.133 -3.853 1.000 1.00 0.00 C ATOM 544 CE2 PHE A 37 3.089 -4.534 2.111 1.00 0.00 C ATOM 545 CZ PHE A 37 4.398 -4.043 2.176 1.00 0.00 C ATOM 0 H PHE A 37 1.687 -5.908 -3.652 1.00 0.00 H new ATOM 0 HA PHE A 37 4.138 -6.475 -2.105 1.00 0.00 H new ATOM 0 HB2 PHE A 37 2.942 -4.237 -2.387 1.00 0.00 H new ATOM 0 HB3 PHE A 37 1.543 -4.911 -1.575 1.00 0.00 H new ATOM 0 HD1 PHE A 37 5.125 -4.006 -1.149 1.00 0.00 H new ATOM 0 HD2 PHE A 37 1.504 -5.214 0.821 1.00 0.00 H new ATOM 0 HE1 PHE A 37 6.143 -3.475 1.050 1.00 0.00 H new ATOM 0 HE2 PHE A 37 2.522 -4.681 3.018 1.00 0.00 H new ATOM 0 HZ PHE A 37 4.841 -3.811 3.133 1.00 0.00 H new ATOM 555 N SER A 38 2.921 -8.652 -1.273 1.00 0.00 N ATOM 556 CA SER A 38 2.450 -9.731 -0.358 1.00 0.00 C ATOM 557 C SER A 38 3.158 -9.665 1.001 1.00 0.00 C ATOM 558 O SER A 38 3.540 -10.678 1.552 1.00 0.00 O ATOM 559 CB SER A 38 2.824 -11.025 -1.069 1.00 0.00 C ATOM 560 OG SER A 38 4.111 -11.445 -0.635 1.00 0.00 O ATOM 0 H SER A 38 3.549 -8.960 -2.015 1.00 0.00 H new ATOM 0 HA SER A 38 1.383 -9.644 -0.155 1.00 0.00 H new ATOM 0 HB2 SER A 38 2.085 -11.798 -0.855 1.00 0.00 H new ATOM 0 HB3 SER A 38 2.823 -10.874 -2.148 1.00 0.00 H new ATOM 0 HG SER A 38 4.072 -11.692 0.312 1.00 0.00 H new ATOM 566 N THR A 39 3.333 -8.498 1.554 1.00 0.00 N ATOM 567 CA THR A 39 4.010 -8.409 2.878 1.00 0.00 C ATOM 568 C THR A 39 3.005 -7.983 3.950 1.00 0.00 C ATOM 569 O THR A 39 2.354 -6.964 3.834 1.00 0.00 O ATOM 570 CB THR A 39 5.094 -7.345 2.704 1.00 0.00 C ATOM 571 OG1 THR A 39 5.726 -7.519 1.443 1.00 0.00 O ATOM 572 CG2 THR A 39 6.128 -7.483 3.822 1.00 0.00 C ATOM 0 H THR A 39 3.039 -7.608 1.151 1.00 0.00 H new ATOM 0 HA THR A 39 4.430 -9.364 3.193 1.00 0.00 H new ATOM 0 HB THR A 39 4.644 -6.353 2.750 1.00 0.00 H new ATOM 0 HG1 THR A 39 6.420 -6.837 1.328 1.00 0.00 H new ATOM 0 HG21 THR A 39 6.901 -6.725 3.698 1.00 0.00 H new ATOM 0 HG22 THR A 39 5.640 -7.350 4.787 1.00 0.00 H new ATOM 0 HG23 THR A 39 6.581 -8.473 3.778 1.00 0.00 H new ATOM 580 N THR A 40 2.871 -8.757 4.991 1.00 0.00 N ATOM 581 CA THR A 40 1.904 -8.394 6.066 1.00 0.00 C ATOM 582 C THR A 40 2.496 -7.308 6.967 1.00 0.00 C ATOM 583 O THR A 40 3.657 -6.965 6.862 1.00 0.00 O ATOM 584 CB THR A 40 1.679 -9.685 6.856 1.00 0.00 C ATOM 585 OG1 THR A 40 2.933 -10.212 7.266 1.00 0.00 O ATOM 586 CG2 THR A 40 0.957 -10.707 5.978 1.00 0.00 C ATOM 0 H THR A 40 3.388 -9.623 5.144 1.00 0.00 H new ATOM 0 HA THR A 40 0.972 -7.998 5.663 1.00 0.00 H new ATOM 0 HB THR A 40 1.069 -9.471 7.734 1.00 0.00 H new ATOM 0 HG1 THR A 40 2.873 -11.188 7.327 1.00 0.00 H new ATOM 0 HG21 THR A 40 0.798 -11.625 6.544 1.00 0.00 H new ATOM 0 HG22 THR A 40 -0.006 -10.303 5.665 1.00 0.00 H new ATOM 0 HG23 THR A 40 1.563 -10.923 5.098 1.00 0.00 H new ATOM 594 N VAL A 41 1.706 -6.765 7.850 1.00 0.00 N ATOM 595 CA VAL A 41 2.219 -5.701 8.758 1.00 0.00 C ATOM 596 C VAL A 41 3.373 -6.243 9.609 1.00 0.00 C ATOM 597 O VAL A 41 4.377 -5.586 9.799 1.00 0.00 O ATOM 598 CB VAL A 41 1.023 -5.324 9.635 1.00 0.00 C ATOM 599 CG1 VAL A 41 1.511 -4.604 10.894 1.00 0.00 C ATOM 600 CG2 VAL A 41 0.091 -4.398 8.851 1.00 0.00 C ATOM 0 H VAL A 41 0.725 -7.012 7.983 1.00 0.00 H new ATOM 0 HA VAL A 41 2.610 -4.841 8.215 1.00 0.00 H new ATOM 0 HB VAL A 41 0.487 -6.229 9.922 1.00 0.00 H new ATOM 0 HG11 VAL A 41 0.656 -4.338 11.515 1.00 0.00 H new ATOM 0 HG12 VAL A 41 2.176 -5.261 11.454 1.00 0.00 H new ATOM 0 HG13 VAL A 41 2.049 -3.700 10.610 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -0.762 -4.128 9.474 1.00 0.00 H new ATOM 0 HG22 VAL A 41 0.631 -3.496 8.565 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -0.261 -4.910 7.955 1.00 0.00 H new ATOM 610 N THR A 42 3.238 -7.435 10.122 1.00 0.00 N ATOM 611 CA THR A 42 4.329 -8.012 10.960 1.00 0.00 C ATOM 612 C THR A 42 5.606 -8.178 10.132 1.00 0.00 C ATOM 613 O THR A 42 6.695 -8.269 10.665 1.00 0.00 O ATOM 614 CB THR A 42 3.802 -9.375 11.414 1.00 0.00 C ATOM 615 OG1 THR A 42 2.488 -9.224 11.933 1.00 0.00 O ATOM 616 CG2 THR A 42 4.720 -9.941 12.498 1.00 0.00 C ATOM 0 H THR A 42 2.422 -8.034 9.998 1.00 0.00 H new ATOM 0 HA THR A 42 4.582 -7.371 11.804 1.00 0.00 H new ATOM 0 HB THR A 42 3.780 -10.059 10.566 1.00 0.00 H new ATOM 0 HG1 THR A 42 1.857 -9.096 11.194 1.00 0.00 H new ATOM 0 HG21 THR A 42 4.345 -10.912 12.822 1.00 0.00 H new ATOM 0 HG22 THR A 42 5.727 -10.056 12.098 1.00 0.00 H new ATOM 0 HG23 THR A 42 4.743 -9.259 13.348 1.00 0.00 H new ATOM 624 N GLY A 43 5.484 -8.221 8.833 1.00 0.00 N ATOM 625 CA GLY A 43 6.693 -8.383 7.976 1.00 0.00 C ATOM 626 C GLY A 43 6.808 -9.841 7.526 1.00 0.00 C ATOM 627 O GLY A 43 7.802 -10.251 6.961 1.00 0.00 O ATOM 0 H GLY A 43 4.600 -8.151 8.329 1.00 0.00 H new ATOM 0 HA2 GLY A 43 6.627 -7.727 7.108 1.00 0.00 H new ATOM 0 HA3 GLY A 43 7.586 -8.090 8.529 1.00 0.00 H new ATOM 631 N ARG A 44 5.797 -10.627 7.773 1.00 0.00 N ATOM 632 CA ARG A 44 5.842 -12.060 7.363 1.00 0.00 C ATOM 633 C ARG A 44 5.418 -12.208 5.903 1.00 0.00 C ATOM 634 O ARG A 44 5.412 -11.259 5.144 1.00 0.00 O ATOM 635 CB ARG A 44 4.841 -12.761 8.281 1.00 0.00 C ATOM 636 CG ARG A 44 5.592 -13.649 9.275 1.00 0.00 C ATOM 637 CD ARG A 44 4.655 -14.747 9.784 1.00 0.00 C ATOM 638 NE ARG A 44 3.382 -14.045 10.110 1.00 0.00 N ATOM 639 CZ ARG A 44 3.203 -13.534 11.297 1.00 0.00 C ATOM 640 NH1 ARG A 44 3.405 -14.263 12.360 1.00 0.00 N ATOM 641 NH2 ARG A 44 2.821 -12.292 11.421 1.00 0.00 N ATOM 0 H ARG A 44 4.939 -10.338 8.243 1.00 0.00 H new ATOM 0 HA ARG A 44 6.844 -12.482 7.446 1.00 0.00 H new ATOM 0 HB2 ARG A 44 4.244 -12.023 8.816 1.00 0.00 H new ATOM 0 HB3 ARG A 44 4.150 -13.362 7.691 1.00 0.00 H new ATOM 0 HG2 ARG A 44 6.464 -14.093 8.796 1.00 0.00 H new ATOM 0 HG3 ARG A 44 5.957 -13.051 10.110 1.00 0.00 H new ATOM 0 HD2 ARG A 44 4.499 -15.516 9.027 1.00 0.00 H new ATOM 0 HD3 ARG A 44 5.068 -15.243 10.662 1.00 0.00 H new ATOM 0 HE ARG A 44 2.650 -13.964 9.405 1.00 0.00 H new ATOM 0 HH11 ARG A 44 3.703 -15.234 12.264 1.00 0.00 H new ATOM 0 HH12 ARG A 44 3.265 -13.862 13.287 1.00 0.00 H new ATOM 0 HH21 ARG A 44 2.663 -11.722 10.590 1.00 0.00 H new ATOM 0 HH22 ARG A 44 2.681 -11.892 12.349 1.00 0.00 H new ATOM 655 N THR A 45 5.055 -13.395 5.511 1.00 0.00 N ATOM 656 CA THR A 45 4.617 -13.620 4.103 1.00 0.00 C ATOM 657 C THR A 45 3.130 -13.978 4.088 1.00 0.00 C ATOM 658 O THR A 45 2.694 -14.879 4.776 1.00 0.00 O ATOM 659 CB THR A 45 5.468 -14.787 3.598 1.00 0.00 C ATOM 660 OG1 THR A 45 6.780 -14.322 3.310 1.00 0.00 O ATOM 661 CG2 THR A 45 4.842 -15.369 2.329 1.00 0.00 C ATOM 0 H THR A 45 5.042 -14.224 6.106 1.00 0.00 H new ATOM 0 HA THR A 45 4.744 -12.739 3.474 1.00 0.00 H new ATOM 0 HB THR A 45 5.514 -15.561 4.364 1.00 0.00 H new ATOM 0 HG1 THR A 45 7.328 -15.068 2.988 1.00 0.00 H new ATOM 0 HG21 THR A 45 5.450 -16.200 1.971 1.00 0.00 H new ATOM 0 HG22 THR A 45 3.836 -15.725 2.550 1.00 0.00 H new ATOM 0 HG23 THR A 45 4.794 -14.598 1.560 1.00 0.00 H new ATOM 669 N CYS A 46 2.343 -13.265 3.332 1.00 0.00 N ATOM 670 CA CYS A 46 0.888 -13.549 3.305 1.00 0.00 C ATOM 671 C CYS A 46 0.581 -14.824 2.512 1.00 0.00 C ATOM 672 O CYS A 46 1.309 -15.214 1.621 1.00 0.00 O ATOM 673 CB CYS A 46 0.254 -12.319 2.637 1.00 0.00 C ATOM 674 SG CYS A 46 -1.337 -12.763 1.877 1.00 0.00 S ATOM 0 H CYS A 46 2.648 -12.498 2.733 1.00 0.00 H new ATOM 0 HA CYS A 46 0.493 -13.721 4.306 1.00 0.00 H new ATOM 0 HB2 CYS A 46 0.105 -11.532 3.376 1.00 0.00 H new ATOM 0 HB3 CYS A 46 0.928 -11.920 1.879 1.00 0.00 H new ATOM 679 N GLN A 47 -0.519 -15.453 2.825 1.00 0.00 N ATOM 680 CA GLN A 47 -0.924 -16.682 2.094 1.00 0.00 C ATOM 681 C GLN A 47 -1.818 -16.293 0.909 1.00 0.00 C ATOM 682 O GLN A 47 -2.810 -15.611 1.075 1.00 0.00 O ATOM 683 CB GLN A 47 -1.719 -17.505 3.111 1.00 0.00 C ATOM 684 CG GLN A 47 -2.396 -18.677 2.402 1.00 0.00 C ATOM 685 CD GLN A 47 -3.554 -19.192 3.260 1.00 0.00 C ATOM 686 OE1 GLN A 47 -4.417 -18.433 3.654 1.00 0.00 O ATOM 687 NE2 GLN A 47 -3.608 -20.458 3.569 1.00 0.00 N ATOM 0 H GLN A 47 -1.159 -15.163 3.564 1.00 0.00 H new ATOM 0 HA GLN A 47 -0.074 -17.239 1.700 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -1.056 -17.874 3.894 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -2.467 -16.878 3.596 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -2.765 -18.362 1.426 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -1.675 -19.476 2.228 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -2.883 -21.095 3.238 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -4.375 -20.811 4.141 1.00 0.00 H new ATOM 696 N SER A 48 -1.483 -16.711 -0.282 1.00 0.00 N ATOM 697 CA SER A 48 -2.321 -16.352 -1.460 1.00 0.00 C ATOM 698 C SER A 48 -3.806 -16.482 -1.126 1.00 0.00 C ATOM 699 O SER A 48 -4.185 -17.093 -0.145 1.00 0.00 O ATOM 700 CB SER A 48 -1.928 -17.352 -2.545 1.00 0.00 C ATOM 701 OG SER A 48 -0.829 -16.836 -3.284 1.00 0.00 O ATOM 0 H SER A 48 -0.666 -17.285 -0.489 1.00 0.00 H new ATOM 0 HA SER A 48 -2.161 -15.321 -1.774 1.00 0.00 H new ATOM 0 HB2 SER A 48 -1.661 -18.308 -2.095 1.00 0.00 H new ATOM 0 HB3 SER A 48 -2.773 -17.537 -3.209 1.00 0.00 H new ATOM 0 HG SER A 48 -0.573 -17.476 -3.980 1.00 0.00 H new ATOM 707 N TRP A 49 -4.649 -15.916 -1.943 1.00 0.00 N ATOM 708 CA TRP A 49 -6.111 -16.008 -1.686 1.00 0.00 C ATOM 709 C TRP A 49 -6.597 -17.418 -2.030 1.00 0.00 C ATOM 710 O TRP A 49 -7.456 -17.969 -1.376 1.00 0.00 O ATOM 711 CB TRP A 49 -6.747 -14.969 -2.615 1.00 0.00 C ATOM 712 CG TRP A 49 -6.028 -13.661 -2.491 1.00 0.00 C ATOM 713 CD1 TRP A 49 -4.981 -13.274 -3.248 1.00 0.00 C ATOM 714 CD2 TRP A 49 -6.290 -12.559 -1.577 1.00 0.00 C ATOM 715 NE1 TRP A 49 -4.591 -12.010 -2.855 1.00 0.00 N ATOM 716 CE2 TRP A 49 -5.363 -11.529 -1.830 1.00 0.00 C ATOM 717 CE3 TRP A 49 -7.231 -12.360 -0.568 1.00 0.00 C ATOM 718 CZ2 TRP A 49 -5.369 -10.341 -1.105 1.00 0.00 C ATOM 719 CZ3 TRP A 49 -7.248 -11.166 0.173 1.00 0.00 C ATOM 720 CH2 TRP A 49 -6.316 -10.156 -0.097 1.00 0.00 C ATOM 0 H TRP A 49 -4.387 -15.393 -2.779 1.00 0.00 H new ATOM 0 HA TRP A 49 -6.371 -15.820 -0.644 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -6.707 -15.319 -3.647 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -7.800 -14.840 -2.363 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -4.523 -13.858 -4.033 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -3.819 -11.494 -3.278 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -7.955 -13.132 -0.353 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -4.646 -9.568 -1.321 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -7.982 -11.027 0.953 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -6.330 -9.238 0.472 1.00 0.00 H new ATOM 731 N SER A 50 -6.040 -18.006 -3.054 1.00 0.00 N ATOM 732 CA SER A 50 -6.445 -19.388 -3.447 1.00 0.00 C ATOM 733 C SER A 50 -5.763 -20.436 -2.552 1.00 0.00 C ATOM 734 O SER A 50 -5.668 -21.594 -2.907 1.00 0.00 O ATOM 735 CB SER A 50 -5.970 -19.533 -4.890 1.00 0.00 C ATOM 736 OG SER A 50 -6.724 -20.550 -5.535 1.00 0.00 O ATOM 0 H SER A 50 -5.317 -17.587 -3.639 1.00 0.00 H new ATOM 0 HA SER A 50 -7.519 -19.544 -3.342 1.00 0.00 H new ATOM 0 HB2 SER A 50 -6.086 -18.587 -5.420 1.00 0.00 H new ATOM 0 HB3 SER A 50 -4.909 -19.782 -4.912 1.00 0.00 H new ATOM 0 HG SER A 50 -6.714 -21.362 -4.987 1.00 0.00 H new ATOM 742 N SER A 51 -5.279 -20.044 -1.405 1.00 0.00 N ATOM 743 CA SER A 51 -4.596 -21.019 -0.506 1.00 0.00 C ATOM 744 C SER A 51 -5.603 -21.695 0.416 1.00 0.00 C ATOM 745 O SER A 51 -6.574 -21.105 0.846 1.00 0.00 O ATOM 746 CB SER A 51 -3.607 -20.187 0.303 1.00 0.00 C ATOM 747 OG SER A 51 -2.776 -19.450 -0.584 1.00 0.00 O ATOM 0 H SER A 51 -5.327 -19.089 -1.051 1.00 0.00 H new ATOM 0 HA SER A 51 -4.102 -21.813 -1.066 1.00 0.00 H new ATOM 0 HB2 SER A 51 -4.143 -19.508 0.966 1.00 0.00 H new ATOM 0 HB3 SER A 51 -2.999 -20.836 0.934 1.00 0.00 H new ATOM 0 HG SER A 51 -1.856 -19.448 -0.245 1.00 0.00 H new ATOM 753 N MET A 52 -5.374 -22.938 0.711 1.00 0.00 N ATOM 754 CA MET A 52 -6.304 -23.689 1.597 1.00 0.00 C ATOM 755 C MET A 52 -5.543 -24.826 2.283 1.00 0.00 C ATOM 756 O MET A 52 -6.127 -25.766 2.786 1.00 0.00 O ATOM 757 CB MET A 52 -7.404 -24.256 0.686 1.00 0.00 C ATOM 758 CG MET A 52 -6.982 -24.208 -0.785 1.00 0.00 C ATOM 759 SD MET A 52 -8.400 -24.607 -1.827 1.00 0.00 S ATOM 760 CE MET A 52 -9.266 -23.043 -1.572 1.00 0.00 C ATOM 0 H MET A 52 -4.574 -23.474 0.374 1.00 0.00 H new ATOM 0 HA MET A 52 -6.730 -23.053 2.373 1.00 0.00 H new ATOM 0 HB2 MET A 52 -7.622 -25.285 0.971 1.00 0.00 H new ATOM 0 HB3 MET A 52 -8.323 -23.686 0.823 1.00 0.00 H new ATOM 0 HG2 MET A 52 -6.601 -23.217 -1.034 1.00 0.00 H new ATOM 0 HG3 MET A 52 -6.173 -24.915 -0.966 1.00 0.00 H new ATOM 0 HE1 MET A 52 -10.338 -23.196 -1.697 1.00 0.00 H new ATOM 0 HE2 MET A 52 -9.066 -22.677 -0.565 1.00 0.00 H new ATOM 0 HE3 MET A 52 -8.917 -22.311 -2.300 1.00 0.00 H new ATOM 770 N THR A 53 -4.237 -24.751 2.295 1.00 0.00 N ATOM 771 CA THR A 53 -3.429 -25.833 2.935 1.00 0.00 C ATOM 772 C THR A 53 -3.457 -25.700 4.462 1.00 0.00 C ATOM 773 O THR A 53 -3.948 -26.574 5.149 1.00 0.00 O ATOM 774 CB THR A 53 -2.006 -25.639 2.406 1.00 0.00 C ATOM 775 OG1 THR A 53 -1.897 -24.364 1.790 1.00 0.00 O ATOM 776 CG2 THR A 53 -1.686 -26.730 1.384 1.00 0.00 C ATOM 0 H THR A 53 -3.695 -23.988 1.890 1.00 0.00 H new ATOM 0 HA THR A 53 -3.820 -26.823 2.700 1.00 0.00 H new ATOM 0 HB THR A 53 -1.301 -25.702 3.235 1.00 0.00 H new ATOM 0 HG1 THR A 53 -0.985 -24.240 1.453 1.00 0.00 H new ATOM 0 HG21 THR A 53 -0.672 -26.591 1.008 1.00 0.00 H new ATOM 0 HG22 THR A 53 -1.766 -27.708 1.859 1.00 0.00 H new ATOM 0 HG23 THR A 53 -2.392 -26.671 0.555 1.00 0.00 H new ATOM 784 N PRO A 54 -2.924 -24.609 4.944 1.00 0.00 N ATOM 785 CA PRO A 54 -2.888 -24.367 6.408 1.00 0.00 C ATOM 786 C PRO A 54 -4.299 -24.085 6.932 1.00 0.00 C ATOM 787 O PRO A 54 -5.002 -24.980 7.356 1.00 0.00 O ATOM 788 CB PRO A 54 -1.987 -23.142 6.545 1.00 0.00 C ATOM 789 CG PRO A 54 -2.080 -22.445 5.225 1.00 0.00 C ATOM 790 CD PRO A 54 -2.317 -23.509 4.186 1.00 0.00 C ATOM 0 HA PRO A 54 -2.520 -25.218 6.981 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -2.320 -22.496 7.357 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -0.960 -23.430 6.768 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -2.893 -21.719 5.228 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -1.163 -21.895 5.013 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -2.978 -23.155 3.395 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -1.386 -23.817 3.709 1.00 0.00 H new ATOM 798 N HIS A 55 -4.727 -22.853 6.893 1.00 0.00 N ATOM 799 CA HIS A 55 -6.102 -22.531 7.377 1.00 0.00 C ATOM 800 C HIS A 55 -6.986 -22.153 6.188 1.00 0.00 C ATOM 801 O HIS A 55 -7.056 -21.006 5.796 1.00 0.00 O ATOM 802 CB HIS A 55 -5.936 -21.342 8.326 1.00 0.00 C ATOM 803 CG HIS A 55 -5.021 -20.326 7.703 1.00 0.00 C ATOM 804 ND1 HIS A 55 -3.644 -20.421 7.800 1.00 0.00 N ATOM 805 CD2 HIS A 55 -5.269 -19.198 6.960 1.00 0.00 C ATOM 806 CE1 HIS A 55 -3.117 -19.382 7.130 1.00 0.00 C ATOM 807 NE2 HIS A 55 -4.064 -18.603 6.598 1.00 0.00 N ATOM 0 H HIS A 55 -4.188 -22.058 6.549 1.00 0.00 H new ATOM 0 HA HIS A 55 -6.573 -23.375 7.880 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -6.907 -20.892 8.536 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -5.528 -21.678 9.279 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -6.249 -18.829 6.697 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -2.057 -19.199 7.033 1.00 0.00 H new ATOM 0 HE2 HIS A 55 -3.932 -17.756 6.046 1.00 0.00 H new ATOM 815 N TRP A 56 -7.652 -23.110 5.601 1.00 0.00 N ATOM 816 CA TRP A 56 -8.515 -22.794 4.429 1.00 0.00 C ATOM 817 C TRP A 56 -9.536 -21.716 4.789 1.00 0.00 C ATOM 818 O TRP A 56 -10.287 -21.843 5.736 1.00 0.00 O ATOM 819 CB TRP A 56 -9.228 -24.105 4.065 1.00 0.00 C ATOM 820 CG TRP A 56 -9.921 -23.947 2.740 1.00 0.00 C ATOM 821 CD1 TRP A 56 -10.556 -22.831 2.327 1.00 0.00 C ATOM 822 CD2 TRP A 56 -10.063 -24.906 1.651 1.00 0.00 C ATOM 823 NE1 TRP A 56 -11.057 -23.026 1.074 1.00 0.00 N ATOM 824 CE2 TRP A 56 -10.789 -24.289 0.604 1.00 0.00 C ATOM 825 CE3 TRP A 56 -9.636 -26.227 1.467 1.00 0.00 C ATOM 826 CZ2 TRP A 56 -11.081 -24.958 -0.580 1.00 0.00 C ATOM 827 CZ3 TRP A 56 -9.928 -26.906 0.272 1.00 0.00 C ATOM 828 CH2 TRP A 56 -10.649 -26.273 -0.749 1.00 0.00 C ATOM 0 H TRP A 56 -7.636 -24.091 5.881 1.00 0.00 H new ATOM 0 HA TRP A 56 -7.927 -22.411 3.594 1.00 0.00 H new ATOM 0 HB2 TRP A 56 -8.508 -24.922 4.016 1.00 0.00 H new ATOM 0 HB3 TRP A 56 -9.952 -24.364 4.838 1.00 0.00 H new ATOM 0 HD1 TRP A 56 -10.653 -21.922 2.901 1.00 0.00 H new ATOM 0 HE1 TRP A 56 -11.570 -22.318 0.548 1.00 0.00 H new ATOM 0 HE3 TRP A 56 -9.080 -26.726 2.247 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 -11.638 -24.463 -1.362 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 -9.594 -27.924 0.139 1.00 0.00 H new ATOM 0 HH2 TRP A 56 -10.870 -26.802 -1.664 1.00 0.00 H new ATOM 839 N HIS A 57 -9.590 -20.669 4.009 1.00 0.00 N ATOM 840 CA HIS A 57 -10.588 -19.596 4.270 1.00 0.00 C ATOM 841 C HIS A 57 -11.494 -19.410 3.046 1.00 0.00 C ATOM 842 O HIS A 57 -11.035 -19.297 1.927 1.00 0.00 O ATOM 843 CB HIS A 57 -9.769 -18.332 4.548 1.00 0.00 C ATOM 844 CG HIS A 57 -8.621 -18.251 3.578 1.00 0.00 C ATOM 845 ND1 HIS A 57 -8.769 -18.553 2.235 1.00 0.00 N ATOM 846 CD2 HIS A 57 -7.300 -17.914 3.743 1.00 0.00 C ATOM 847 CE1 HIS A 57 -7.571 -18.396 1.649 1.00 0.00 C ATOM 848 NE2 HIS A 57 -6.638 -18.007 2.522 1.00 0.00 N ATOM 0 H HIS A 57 -8.985 -20.512 3.203 1.00 0.00 H new ATOM 0 HA HIS A 57 -11.240 -19.835 5.110 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -10.401 -17.449 4.454 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -9.393 -18.347 5.571 1.00 0.00 H new ATOM 0 HD1 HIS A 57 -9.632 -18.842 1.774 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -6.844 -17.621 4.677 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -7.384 -18.564 0.599 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -5.653 -17.819 2.335 1.00 0.00 H new ATOM 856 N GLN A 58 -12.783 -19.388 3.253 1.00 0.00 N ATOM 857 CA GLN A 58 -13.724 -19.220 2.108 1.00 0.00 C ATOM 858 C GLN A 58 -13.247 -18.101 1.180 1.00 0.00 C ATOM 859 O GLN A 58 -13.249 -18.240 -0.027 1.00 0.00 O ATOM 860 CB GLN A 58 -15.063 -18.851 2.746 1.00 0.00 C ATOM 861 CG GLN A 58 -15.624 -20.062 3.494 1.00 0.00 C ATOM 862 CD GLN A 58 -16.974 -20.455 2.890 1.00 0.00 C ATOM 863 OE1 GLN A 58 -17.942 -19.732 3.015 1.00 0.00 O ATOM 864 NE2 GLN A 58 -17.080 -21.579 2.235 1.00 0.00 N ATOM 0 H GLN A 58 -13.226 -19.479 4.167 1.00 0.00 H new ATOM 0 HA GLN A 58 -13.794 -20.123 1.501 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -14.932 -18.015 3.433 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -15.766 -18.527 1.979 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -14.927 -20.898 3.429 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -15.742 -19.827 4.552 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -16.267 -22.186 2.130 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -17.975 -21.850 1.828 1.00 0.00 H new ATOM 873 N ARG A 59 -12.842 -16.991 1.732 1.00 0.00 N ATOM 874 CA ARG A 59 -12.370 -15.864 0.878 1.00 0.00 C ATOM 875 C ARG A 59 -11.189 -16.309 0.011 1.00 0.00 C ATOM 876 O ARG A 59 -10.302 -17.006 0.463 1.00 0.00 O ATOM 877 CB ARG A 59 -11.936 -14.779 1.862 1.00 0.00 C ATOM 878 CG ARG A 59 -13.151 -14.297 2.658 1.00 0.00 C ATOM 879 CD ARG A 59 -13.828 -13.148 1.909 1.00 0.00 C ATOM 880 NE ARG A 59 -14.401 -12.280 2.974 1.00 0.00 N ATOM 881 CZ ARG A 59 -15.017 -11.176 2.653 1.00 0.00 C ATOM 882 NH1 ARG A 59 -14.721 -10.567 1.538 1.00 0.00 N ATOM 883 NH2 ARG A 59 -15.927 -10.682 3.446 1.00 0.00 N ATOM 0 H ARG A 59 -12.817 -16.815 2.736 1.00 0.00 H new ATOM 0 HA ARG A 59 -13.144 -15.512 0.196 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -11.176 -15.170 2.539 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -11.486 -13.945 1.324 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -13.855 -15.117 2.800 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -12.842 -13.967 3.650 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -13.112 -12.600 1.296 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -14.605 -13.517 1.239 1.00 0.00 H new ATOM 0 HE ARG A 59 -14.312 -12.548 3.954 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -14.009 -10.954 0.919 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -15.202 -9.704 1.285 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -16.157 -11.159 4.318 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -16.408 -9.819 3.195 1.00 0.00 H new ATOM 897 N THR A 60 -11.173 -15.911 -1.231 1.00 0.00 N ATOM 898 CA THR A 60 -10.051 -16.307 -2.132 1.00 0.00 C ATOM 899 C THR A 60 -10.275 -15.761 -3.531 1.00 0.00 C ATOM 900 O THR A 60 -11.271 -15.127 -3.817 1.00 0.00 O ATOM 901 CB THR A 60 -10.082 -17.834 -2.190 1.00 0.00 C ATOM 902 OG1 THR A 60 -9.353 -18.274 -3.327 1.00 0.00 O ATOM 903 CG2 THR A 60 -11.526 -18.318 -2.297 1.00 0.00 C ATOM 0 H THR A 60 -11.889 -15.327 -1.663 1.00 0.00 H new ATOM 0 HA THR A 60 -9.101 -15.920 -1.764 1.00 0.00 H new ATOM 0 HB THR A 60 -9.633 -18.239 -1.283 1.00 0.00 H new ATOM 0 HG1 THR A 60 -9.622 -19.189 -3.554 1.00 0.00 H new ATOM 0 HG21 THR A 60 -11.543 -19.407 -2.338 1.00 0.00 H new ATOM 0 HG22 THR A 60 -12.089 -17.979 -1.427 1.00 0.00 H new ATOM 0 HG23 THR A 60 -11.979 -17.914 -3.202 1.00 0.00 H new ATOM 911 N THR A 61 -9.366 -16.038 -4.416 1.00 0.00 N ATOM 912 CA THR A 61 -9.536 -15.578 -5.809 1.00 0.00 C ATOM 913 C THR A 61 -10.638 -16.403 -6.459 1.00 0.00 C ATOM 914 O THR A 61 -11.132 -16.074 -7.519 1.00 0.00 O ATOM 915 CB THR A 61 -8.192 -15.823 -6.487 1.00 0.00 C ATOM 916 OG1 THR A 61 -7.499 -16.861 -5.810 1.00 0.00 O ATOM 917 CG2 THR A 61 -7.373 -14.538 -6.437 1.00 0.00 C ATOM 0 H THR A 61 -8.512 -16.564 -4.231 1.00 0.00 H new ATOM 0 HA THR A 61 -9.818 -14.528 -5.883 1.00 0.00 H new ATOM 0 HB THR A 61 -8.349 -16.119 -7.524 1.00 0.00 H new ATOM 0 HG1 THR A 61 -7.960 -17.713 -5.958 1.00 0.00 H new ATOM 0 HG21 THR A 61 -6.409 -14.702 -6.919 1.00 0.00 H new ATOM 0 HG22 THR A 61 -7.909 -13.744 -6.957 1.00 0.00 H new ATOM 0 HG23 THR A 61 -7.214 -14.248 -5.398 1.00 0.00 H new ATOM 925 N GLU A 62 -11.045 -17.473 -5.820 1.00 0.00 N ATOM 926 CA GLU A 62 -12.126 -18.293 -6.401 1.00 0.00 C ATOM 927 C GLU A 62 -13.396 -17.469 -6.380 1.00 0.00 C ATOM 928 O GLU A 62 -14.229 -17.550 -7.261 1.00 0.00 O ATOM 929 CB GLU A 62 -12.248 -19.522 -5.500 1.00 0.00 C ATOM 930 CG GLU A 62 -13.032 -20.616 -6.227 1.00 0.00 C ATOM 931 CD GLU A 62 -13.985 -21.298 -5.243 1.00 0.00 C ATOM 932 OE1 GLU A 62 -13.710 -21.254 -4.055 1.00 0.00 O ATOM 933 OE2 GLU A 62 -14.974 -21.852 -5.694 1.00 0.00 O ATOM 0 H GLU A 62 -10.673 -17.803 -4.930 1.00 0.00 H new ATOM 0 HA GLU A 62 -11.934 -18.598 -7.430 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -11.257 -19.888 -5.231 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -12.752 -19.256 -4.571 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -13.594 -20.186 -7.056 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -12.346 -21.348 -6.653 1.00 0.00 H new ATOM 940 N TYR A 63 -13.527 -16.641 -5.387 1.00 0.00 N ATOM 941 CA TYR A 63 -14.714 -15.771 -5.314 1.00 0.00 C ATOM 942 C TYR A 63 -14.422 -14.482 -6.083 1.00 0.00 C ATOM 943 O TYR A 63 -15.283 -13.645 -6.267 1.00 0.00 O ATOM 944 CB TYR A 63 -14.929 -15.491 -3.827 1.00 0.00 C ATOM 945 CG TYR A 63 -16.177 -16.202 -3.362 1.00 0.00 C ATOM 946 CD1 TYR A 63 -16.251 -17.599 -3.427 1.00 0.00 C ATOM 947 CD2 TYR A 63 -17.260 -15.466 -2.868 1.00 0.00 C ATOM 948 CE1 TYR A 63 -17.408 -18.260 -2.998 1.00 0.00 C ATOM 949 CE2 TYR A 63 -18.417 -16.127 -2.439 1.00 0.00 C ATOM 950 CZ TYR A 63 -18.492 -17.523 -2.504 1.00 0.00 C ATOM 951 OH TYR A 63 -19.633 -18.173 -2.080 1.00 0.00 O ATOM 0 H TYR A 63 -12.859 -16.533 -4.624 1.00 0.00 H new ATOM 0 HA TYR A 63 -15.604 -16.224 -5.751 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -14.067 -15.831 -3.253 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -15.023 -14.418 -3.657 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -15.415 -18.167 -3.808 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -17.203 -14.389 -2.818 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -17.465 -19.337 -3.048 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -19.253 -15.559 -2.057 1.00 0.00 H new ATOM 0 HH TYR A 63 -20.287 -17.514 -1.766 1.00 0.00 H new ATOM 961 N TYR A 64 -13.203 -14.322 -6.543 1.00 0.00 N ATOM 962 CA TYR A 64 -12.854 -13.091 -7.309 1.00 0.00 C ATOM 963 C TYR A 64 -11.892 -13.441 -8.447 1.00 0.00 C ATOM 964 O TYR A 64 -10.689 -13.391 -8.283 1.00 0.00 O ATOM 965 CB TYR A 64 -12.182 -12.167 -6.292 1.00 0.00 C ATOM 966 CG TYR A 64 -13.241 -11.397 -5.540 1.00 0.00 C ATOM 967 CD1 TYR A 64 -13.984 -12.028 -4.535 1.00 0.00 C ATOM 968 CD2 TYR A 64 -13.482 -10.053 -5.849 1.00 0.00 C ATOM 969 CE1 TYR A 64 -14.968 -11.314 -3.839 1.00 0.00 C ATOM 970 CE2 TYR A 64 -14.465 -9.340 -5.153 1.00 0.00 C ATOM 971 CZ TYR A 64 -15.209 -9.970 -4.149 1.00 0.00 C ATOM 972 OH TYR A 64 -16.179 -9.267 -3.464 1.00 0.00 O ATOM 0 H TYR A 64 -12.441 -14.989 -6.420 1.00 0.00 H new ATOM 0 HA TYR A 64 -13.726 -12.621 -7.764 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -11.578 -12.750 -5.597 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -11.507 -11.478 -6.800 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -13.799 -13.065 -4.296 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -12.909 -9.566 -6.625 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -15.541 -11.800 -3.063 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -14.649 -8.303 -5.391 1.00 0.00 H new ATOM 0 HH TYR A 64 -16.217 -8.348 -3.802 1.00 0.00 H new ATOM 982 N PRO A 65 -12.465 -13.791 -9.566 1.00 0.00 N ATOM 983 CA PRO A 65 -11.659 -14.164 -10.756 1.00 0.00 C ATOM 984 C PRO A 65 -10.991 -12.929 -11.365 1.00 0.00 C ATOM 985 O PRO A 65 -9.987 -13.026 -12.041 1.00 0.00 O ATOM 986 CB PRO A 65 -12.691 -14.752 -11.716 1.00 0.00 C ATOM 987 CG PRO A 65 -13.991 -14.136 -11.309 1.00 0.00 C ATOM 988 CD PRO A 65 -13.906 -13.871 -9.828 1.00 0.00 C ATOM 0 HA PRO A 65 -10.852 -14.859 -10.524 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -12.448 -14.514 -12.751 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -12.728 -15.839 -11.639 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -14.168 -13.211 -11.857 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -14.822 -14.804 -11.535 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -14.413 -12.945 -9.558 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -14.373 -14.670 -9.252 1.00 0.00 H new ATOM 996 N ASN A 66 -11.540 -11.768 -11.133 1.00 0.00 N ATOM 997 CA ASN A 66 -10.933 -10.531 -11.704 1.00 0.00 C ATOM 998 C ASN A 66 -10.743 -9.481 -10.606 1.00 0.00 C ATOM 999 O ASN A 66 -11.178 -8.354 -10.730 1.00 0.00 O ATOM 1000 CB ASN A 66 -11.939 -10.042 -12.746 1.00 0.00 C ATOM 1001 CG ASN A 66 -11.538 -10.564 -14.126 1.00 0.00 C ATOM 1002 OD1 ASN A 66 -11.872 -11.674 -14.489 1.00 0.00 O ATOM 1003 ND2 ASN A 66 -10.832 -9.804 -14.917 1.00 0.00 N ATOM 0 H ASN A 66 -12.381 -11.622 -10.574 1.00 0.00 H new ATOM 0 HA ASN A 66 -9.951 -10.715 -12.140 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -12.940 -10.389 -12.491 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -11.971 -8.952 -12.753 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -10.560 -10.142 -15.840 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -10.552 -8.872 -14.612 1.00 0.00 H new ATOM 1010 N GLY A 67 -10.097 -9.843 -9.531 1.00 0.00 N ATOM 1011 CA GLY A 67 -9.883 -8.866 -8.427 1.00 0.00 C ATOM 1012 C GLY A 67 -8.431 -8.385 -8.436 1.00 0.00 C ATOM 1013 O GLY A 67 -8.056 -7.501 -7.692 1.00 0.00 O ATOM 0 H GLY A 67 -9.709 -10.772 -9.370 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -10.558 -8.018 -8.544 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -10.116 -9.329 -7.468 1.00 0.00 H new ATOM 1017 N GLY A 68 -7.608 -8.967 -9.264 1.00 0.00 N ATOM 1018 CA GLY A 68 -6.180 -8.549 -9.308 1.00 0.00 C ATOM 1019 C GLY A 68 -5.415 -9.317 -8.233 1.00 0.00 C ATOM 1020 O GLY A 68 -4.306 -8.974 -7.876 1.00 0.00 O ATOM 0 H GLY A 68 -7.863 -9.713 -9.911 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -5.756 -8.752 -10.292 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -6.095 -7.476 -9.139 1.00 0.00 H new ATOM 1024 N LEU A 69 -6.009 -10.356 -7.712 1.00 0.00 N ATOM 1025 CA LEU A 69 -5.335 -11.154 -6.655 1.00 0.00 C ATOM 1026 C LEU A 69 -4.505 -12.272 -7.284 1.00 0.00 C ATOM 1027 O LEU A 69 -4.749 -13.442 -7.068 1.00 0.00 O ATOM 1028 CB LEU A 69 -6.476 -11.727 -5.821 1.00 0.00 C ATOM 1029 CG LEU A 69 -7.155 -10.590 -5.062 1.00 0.00 C ATOM 1030 CD1 LEU A 69 -8.167 -11.166 -4.070 1.00 0.00 C ATOM 1031 CD2 LEU A 69 -6.098 -9.784 -4.303 1.00 0.00 C ATOM 0 H LEU A 69 -6.937 -10.686 -7.976 1.00 0.00 H new ATOM 0 HA LEU A 69 -4.648 -10.559 -6.054 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -7.196 -12.233 -6.465 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -6.095 -12.472 -5.122 1.00 0.00 H new ATOM 0 HG LEU A 69 -7.672 -9.941 -5.768 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -8.650 -10.352 -3.529 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -8.920 -11.740 -4.610 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -7.653 -11.817 -3.362 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -6.581 -8.971 -3.760 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -5.581 -10.435 -3.598 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -5.378 -9.371 -5.010 1.00 0.00 H new ATOM 1043 N THR A 70 -3.525 -11.914 -8.061 1.00 0.00 N ATOM 1044 CA THR A 70 -2.670 -12.948 -8.712 1.00 0.00 C ATOM 1045 C THR A 70 -1.680 -13.530 -7.699 1.00 0.00 C ATOM 1046 O THR A 70 -0.955 -12.810 -7.041 1.00 0.00 O ATOM 1047 CB THR A 70 -1.924 -12.206 -9.821 1.00 0.00 C ATOM 1048 OG1 THR A 70 -2.854 -11.761 -10.799 1.00 0.00 O ATOM 1049 CG2 THR A 70 -0.906 -13.144 -10.469 1.00 0.00 C ATOM 0 H THR A 70 -3.276 -10.948 -8.276 1.00 0.00 H new ATOM 0 HA THR A 70 -3.255 -13.781 -9.101 1.00 0.00 H new ATOM 0 HB THR A 70 -1.403 -11.347 -9.398 1.00 0.00 H new ATOM 0 HG1 THR A 70 -2.378 -11.284 -11.510 1.00 0.00 H new ATOM 0 HG21 THR A 70 -0.375 -12.614 -11.260 1.00 0.00 H new ATOM 0 HG22 THR A 70 -0.193 -13.483 -9.717 1.00 0.00 H new ATOM 0 HG23 THR A 70 -1.423 -14.005 -10.893 1.00 0.00 H new ATOM 1057 N ARG A 71 -1.641 -14.829 -7.569 1.00 0.00 N ATOM 1058 CA ARG A 71 -0.695 -15.453 -6.598 1.00 0.00 C ATOM 1059 C ARG A 71 -0.912 -14.872 -5.199 1.00 0.00 C ATOM 1060 O ARG A 71 -2.027 -14.613 -4.790 1.00 0.00 O ATOM 1061 CB ARG A 71 0.696 -15.087 -7.115 1.00 0.00 C ATOM 1062 CG ARG A 71 1.690 -16.181 -6.723 1.00 0.00 C ATOM 1063 CD ARG A 71 3.038 -15.544 -6.377 1.00 0.00 C ATOM 1064 NE ARG A 71 3.991 -16.684 -6.291 1.00 0.00 N ATOM 1065 CZ ARG A 71 4.533 -17.164 -7.377 1.00 0.00 C ATOM 1066 NH1 ARG A 71 5.121 -16.362 -8.222 1.00 0.00 N ATOM 1067 NH2 ARG A 71 4.490 -18.446 -7.616 1.00 0.00 N ATOM 0 H ARG A 71 -2.222 -15.484 -8.092 1.00 0.00 H new ATOM 0 HA ARG A 71 -0.835 -16.531 -6.520 1.00 0.00 H new ATOM 0 HB2 ARG A 71 0.674 -14.972 -8.199 1.00 0.00 H new ATOM 0 HB3 ARG A 71 1.010 -14.130 -6.699 1.00 0.00 H new ATOM 0 HG2 ARG A 71 1.311 -16.743 -5.869 1.00 0.00 H new ATOM 0 HG3 ARG A 71 1.810 -16.889 -7.543 1.00 0.00 H new ATOM 0 HD2 ARG A 71 3.345 -14.830 -7.141 1.00 0.00 H new ATOM 0 HD3 ARG A 71 2.987 -15.000 -5.434 1.00 0.00 H new ATOM 0 HE ARG A 71 4.220 -17.090 -5.384 1.00 0.00 H new ATOM 0 HH11 ARG A 71 5.157 -15.360 -8.034 1.00 0.00 H new ATOM 0 HH12 ARG A 71 5.545 -16.737 -9.071 1.00 0.00 H new ATOM 0 HH21 ARG A 71 4.033 -19.073 -6.954 1.00 0.00 H new ATOM 0 HH22 ARG A 71 4.914 -18.821 -8.465 1.00 0.00 H new ATOM 1081 N ASN A 72 0.146 -14.656 -4.466 1.00 0.00 N ATOM 1082 CA ASN A 72 0.013 -14.088 -3.112 1.00 0.00 C ATOM 1083 C ASN A 72 0.210 -12.571 -3.182 1.00 0.00 C ATOM 1084 O ASN A 72 1.191 -12.042 -2.712 1.00 0.00 O ATOM 1085 CB ASN A 72 1.129 -14.748 -2.299 1.00 0.00 C ATOM 1086 CG ASN A 72 1.350 -13.955 -1.021 1.00 0.00 C ATOM 1087 OD1 ASN A 72 0.398 -13.181 -0.588 1.00 0.00 O flip ATOM 1088 ND2 ASN A 72 2.396 -14.038 -0.408 1.00 0.00 N flip ATOM 0 H ASN A 72 1.103 -14.854 -4.758 1.00 0.00 H new ATOM 0 HA ASN A 72 -0.965 -14.268 -2.665 1.00 0.00 H new ATOM 0 HB2 ASN A 72 0.862 -15.778 -2.061 1.00 0.00 H new ATOM 0 HB3 ASN A 72 2.049 -14.784 -2.883 1.00 0.00 H new ATOM 0 HD21 ASN A 72 3.141 -14.646 -0.750 1.00 0.00 H new ATOM 0 HD22 ASN A 72 2.529 -13.500 0.448 1.00 0.00 H new ATOM 1095 N TYR A 73 -0.715 -11.870 -3.772 1.00 0.00 N ATOM 1096 CA TYR A 73 -0.573 -10.387 -3.870 1.00 0.00 C ATOM 1097 C TYR A 73 -1.557 -9.694 -2.920 1.00 0.00 C ATOM 1098 O TYR A 73 -2.735 -9.990 -2.901 1.00 0.00 O ATOM 1099 CB TYR A 73 -0.907 -10.052 -5.326 1.00 0.00 C ATOM 1100 CG TYR A 73 0.180 -10.565 -6.250 1.00 0.00 C ATOM 1101 CD1 TYR A 73 1.340 -11.159 -5.728 1.00 0.00 C ATOM 1102 CD2 TYR A 73 0.025 -10.442 -7.636 1.00 0.00 C ATOM 1103 CE1 TYR A 73 2.337 -11.628 -6.593 1.00 0.00 C ATOM 1104 CE2 TYR A 73 1.022 -10.910 -8.499 1.00 0.00 C ATOM 1105 CZ TYR A 73 2.178 -11.503 -7.978 1.00 0.00 C ATOM 1106 OH TYR A 73 3.161 -11.965 -8.829 1.00 0.00 O ATOM 0 H TYR A 73 -1.562 -12.255 -4.190 1.00 0.00 H new ATOM 0 HA TYR A 73 0.426 -10.050 -3.592 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -1.864 -10.497 -5.598 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -1.013 -8.973 -5.442 1.00 0.00 H new ATOM 0 HD1 TYR A 73 1.464 -11.254 -4.659 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -0.866 -9.985 -8.040 1.00 0.00 H new ATOM 0 HE1 TYR A 73 3.229 -12.086 -6.191 1.00 0.00 H new ATOM 0 HE2 TYR A 73 0.900 -10.814 -9.568 1.00 0.00 H new ATOM 0 HH TYR A 73 2.893 -11.802 -9.757 1.00 0.00 H new ATOM 1116 N CYS A 74 -1.074 -8.772 -2.135 1.00 0.00 N ATOM 1117 CA CYS A 74 -1.960 -8.044 -1.181 1.00 0.00 C ATOM 1118 C CYS A 74 -2.934 -7.145 -1.944 1.00 0.00 C ATOM 1119 O CYS A 74 -2.637 -6.659 -3.017 1.00 0.00 O ATOM 1120 CB CYS A 74 -1.004 -7.202 -0.334 1.00 0.00 C ATOM 1121 SG CYS A 74 -1.884 -6.534 1.099 1.00 0.00 S ATOM 0 H CYS A 74 -0.094 -8.488 -2.113 1.00 0.00 H new ATOM 0 HA CYS A 74 -2.564 -8.719 -0.574 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -0.163 -7.811 -0.004 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -0.593 -6.389 -0.932 1.00 0.00 H new ATOM 1126 N ARG A 75 -4.095 -6.921 -1.397 1.00 0.00 N ATOM 1127 CA ARG A 75 -5.090 -6.054 -2.087 1.00 0.00 C ATOM 1128 C ARG A 75 -6.102 -5.515 -1.073 1.00 0.00 C ATOM 1129 O ARG A 75 -6.262 -6.056 0.003 1.00 0.00 O ATOM 1130 CB ARG A 75 -5.771 -6.970 -3.104 1.00 0.00 C ATOM 1131 CG ARG A 75 -5.433 -6.497 -4.519 1.00 0.00 C ATOM 1132 CD ARG A 75 -6.723 -6.173 -5.275 1.00 0.00 C ATOM 1133 NE ARG A 75 -6.321 -6.106 -6.708 1.00 0.00 N ATOM 1134 CZ ARG A 75 -6.246 -4.952 -7.312 1.00 0.00 C ATOM 1135 NH1 ARG A 75 -7.226 -4.096 -7.210 1.00 0.00 N ATOM 1136 NH2 ARG A 75 -5.191 -4.654 -8.020 1.00 0.00 N ATOM 0 H ARG A 75 -4.399 -7.301 -0.501 1.00 0.00 H new ATOM 0 HA ARG A 75 -4.633 -5.189 -2.567 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -5.439 -7.999 -2.963 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -6.850 -6.960 -2.953 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -4.794 -5.615 -4.475 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -4.874 -7.269 -5.048 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -7.480 -6.941 -5.112 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -7.151 -5.228 -4.940 1.00 0.00 H new ATOM 0 HE ARG A 75 -6.104 -6.963 -7.217 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -8.051 -4.329 -6.658 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -7.167 -3.194 -7.683 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -4.425 -5.323 -8.101 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -5.132 -3.752 -8.492 1.00 0.00 H new ATOM 1150 N ASN A 76 -6.781 -4.450 -1.400 1.00 0.00 N ATOM 1151 CA ASN A 76 -7.772 -3.881 -0.442 1.00 0.00 C ATOM 1152 C ASN A 76 -9.137 -3.715 -1.113 1.00 0.00 C ATOM 1153 O ASN A 76 -9.531 -2.619 -1.460 1.00 0.00 O ATOM 1154 CB ASN A 76 -7.202 -2.521 -0.042 1.00 0.00 C ATOM 1155 CG ASN A 76 -7.786 -2.100 1.308 1.00 0.00 C ATOM 1156 OD1 ASN A 76 -8.215 -2.931 2.083 1.00 0.00 O ATOM 1157 ND2 ASN A 76 -7.821 -0.835 1.624 1.00 0.00 N ATOM 0 H ASN A 76 -6.694 -3.951 -2.285 1.00 0.00 H new ATOM 0 HA ASN A 76 -7.925 -4.530 0.420 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -6.115 -2.575 0.021 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -7.441 -1.777 -0.802 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -8.208 -0.544 2.522 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -7.461 -0.137 0.974 1.00 0.00 H new ATOM 1164 N PRO A 77 -9.818 -4.818 -1.261 1.00 0.00 N ATOM 1165 CA PRO A 77 -11.163 -4.808 -1.883 1.00 0.00 C ATOM 1166 C PRO A 77 -12.221 -4.308 -0.889 1.00 0.00 C ATOM 1167 O PRO A 77 -13.407 -4.401 -1.137 1.00 0.00 O ATOM 1168 CB PRO A 77 -11.404 -6.273 -2.232 1.00 0.00 C ATOM 1169 CG PRO A 77 -10.546 -7.053 -1.283 1.00 0.00 C ATOM 1170 CD PRO A 77 -9.395 -6.167 -0.875 1.00 0.00 C ATOM 0 HA PRO A 77 -11.225 -4.147 -2.747 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -12.456 -6.536 -2.118 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -11.134 -6.480 -3.267 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -11.122 -7.359 -0.410 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -10.179 -7.963 -1.758 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -9.204 -6.232 0.196 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -8.474 -6.454 -1.381 1.00 0.00 H new ATOM 1178 N ASP A 78 -11.808 -3.781 0.235 1.00 0.00 N ATOM 1179 CA ASP A 78 -12.798 -3.282 1.234 1.00 0.00 C ATOM 1180 C ASP A 78 -12.703 -1.759 1.361 1.00 0.00 C ATOM 1181 O ASP A 78 -13.510 -1.130 2.017 1.00 0.00 O ATOM 1182 CB ASP A 78 -12.406 -3.953 2.551 1.00 0.00 C ATOM 1183 CG ASP A 78 -13.663 -4.224 3.380 1.00 0.00 C ATOM 1184 OD1 ASP A 78 -14.376 -3.277 3.666 1.00 0.00 O ATOM 1185 OD2 ASP A 78 -13.890 -5.375 3.714 1.00 0.00 O ATOM 0 H ASP A 78 -10.830 -3.675 0.503 1.00 0.00 H new ATOM 0 HA ASP A 78 -13.824 -3.513 0.947 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -11.880 -4.887 2.353 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -11.721 -3.313 3.108 1.00 0.00 H new ATOM 1190 N ALA A 79 -11.726 -1.162 0.735 1.00 0.00 N ATOM 1191 CA ALA A 79 -11.578 0.322 0.814 1.00 0.00 C ATOM 1192 C ALA A 79 -11.161 0.745 2.227 1.00 0.00 C ATOM 1193 O ALA A 79 -11.523 1.805 2.698 1.00 0.00 O ATOM 1194 CB ALA A 79 -12.961 0.881 0.472 1.00 0.00 C ATOM 0 H ALA A 79 -11.022 -1.637 0.171 1.00 0.00 H new ATOM 0 HA ALA A 79 -10.810 0.693 0.135 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -12.933 1.970 0.509 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -13.246 0.559 -0.530 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -13.691 0.512 1.193 1.00 0.00 H new ATOM 1200 N GLU A 80 -10.400 -0.072 2.904 1.00 0.00 N ATOM 1201 CA GLU A 80 -9.958 0.289 4.284 1.00 0.00 C ATOM 1202 C GLU A 80 -8.665 1.110 4.223 1.00 0.00 C ATOM 1203 O GLU A 80 -8.157 1.399 3.159 1.00 0.00 O ATOM 1204 CB GLU A 80 -9.716 -1.049 4.984 1.00 0.00 C ATOM 1205 CG GLU A 80 -10.433 -1.053 6.336 1.00 0.00 C ATOM 1206 CD GLU A 80 -11.914 -1.374 6.129 1.00 0.00 C ATOM 1207 OE1 GLU A 80 -12.292 -1.626 4.996 1.00 0.00 O ATOM 1208 OE2 GLU A 80 -12.645 -1.362 7.105 1.00 0.00 O ATOM 0 H GLU A 80 -10.065 -0.973 2.563 1.00 0.00 H new ATOM 0 HA GLU A 80 -10.694 0.895 4.812 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -10.081 -1.868 4.364 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -8.647 -1.209 5.126 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -9.979 -1.791 6.998 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -10.325 -0.082 6.820 1.00 0.00 H new ATOM 1215 N ILE A 81 -8.129 1.488 5.355 1.00 0.00 N ATOM 1216 CA ILE A 81 -6.868 2.289 5.349 1.00 0.00 C ATOM 1217 C ILE A 81 -5.892 1.722 4.317 1.00 0.00 C ATOM 1218 O ILE A 81 -5.193 2.449 3.639 1.00 0.00 O ATOM 1219 CB ILE A 81 -6.288 2.147 6.756 1.00 0.00 C ATOM 1220 CG1 ILE A 81 -6.187 0.669 7.121 1.00 0.00 C ATOM 1221 CG2 ILE A 81 -7.191 2.849 7.762 1.00 0.00 C ATOM 1222 CD1 ILE A 81 -4.768 0.184 6.846 1.00 0.00 C ATOM 0 H ILE A 81 -8.507 1.278 6.279 1.00 0.00 H new ATOM 0 HA ILE A 81 -7.049 3.332 5.088 1.00 0.00 H new ATOM 0 HB ILE A 81 -5.297 2.601 6.779 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -6.437 0.523 8.172 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -6.903 0.088 6.539 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -6.772 2.744 8.763 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -7.265 3.907 7.509 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -8.184 2.400 7.736 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -4.688 -0.872 7.105 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -4.536 0.317 5.789 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -4.064 0.759 7.447 1.00 0.00 H new ATOM 1234 N SER A 82 -5.843 0.425 4.195 1.00 0.00 N ATOM 1235 CA SER A 82 -4.921 -0.204 3.211 1.00 0.00 C ATOM 1236 C SER A 82 -5.372 -1.637 2.929 1.00 0.00 C ATOM 1237 O SER A 82 -6.362 -2.091 3.467 1.00 0.00 O ATOM 1238 CB SER A 82 -3.549 -0.194 3.885 1.00 0.00 C ATOM 1239 OG SER A 82 -2.597 0.388 3.004 1.00 0.00 O ATOM 0 H SER A 82 -6.406 -0.230 4.738 1.00 0.00 H new ATOM 0 HA SER A 82 -4.903 0.324 2.258 1.00 0.00 H new ATOM 0 HB2 SER A 82 -3.593 0.371 4.816 1.00 0.00 H new ATOM 0 HB3 SER A 82 -3.250 -1.210 4.142 1.00 0.00 H new ATOM 0 HG SER A 82 -2.776 1.348 2.917 1.00 0.00 H new ATOM 1245 N PRO A 83 -4.632 -2.301 2.090 1.00 0.00 N ATOM 1246 CA PRO A 83 -4.965 -3.697 1.728 1.00 0.00 C ATOM 1247 C PRO A 83 -4.587 -4.655 2.857 1.00 0.00 C ATOM 1248 O PRO A 83 -3.768 -4.352 3.701 1.00 0.00 O ATOM 1249 CB PRO A 83 -4.111 -3.957 0.492 1.00 0.00 C ATOM 1250 CG PRO A 83 -2.959 -3.010 0.606 1.00 0.00 C ATOM 1251 CD PRO A 83 -3.430 -1.819 1.404 1.00 0.00 C ATOM 0 HA PRO A 83 -6.030 -3.847 1.550 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -3.769 -4.991 0.460 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -4.677 -3.780 -0.422 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -2.114 -3.491 1.098 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -2.618 -2.700 -0.382 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -2.671 -1.489 2.114 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -3.653 -0.970 0.758 1.00 0.00 H new ATOM 1259 N TRP A 84 -5.170 -5.819 2.860 1.00 0.00 N ATOM 1260 CA TRP A 84 -4.840 -6.820 3.917 1.00 0.00 C ATOM 1261 C TRP A 84 -4.422 -8.129 3.251 1.00 0.00 C ATOM 1262 O TRP A 84 -4.371 -8.219 2.040 1.00 0.00 O ATOM 1263 CB TRP A 84 -6.117 -7.005 4.743 1.00 0.00 C ATOM 1264 CG TRP A 84 -7.315 -7.037 3.849 1.00 0.00 C ATOM 1265 CD1 TRP A 84 -7.869 -5.956 3.253 1.00 0.00 C ATOM 1266 CD2 TRP A 84 -8.122 -8.183 3.449 1.00 0.00 C ATOM 1267 NE1 TRP A 84 -8.962 -6.365 2.511 1.00 0.00 N ATOM 1268 CE2 TRP A 84 -9.159 -7.729 2.600 1.00 0.00 C ATOM 1269 CE3 TRP A 84 -8.055 -9.558 3.737 1.00 0.00 C ATOM 1270 CZ2 TRP A 84 -10.096 -8.608 2.056 1.00 0.00 C ATOM 1271 CZ3 TRP A 84 -8.996 -10.446 3.191 1.00 0.00 C ATOM 1272 CH2 TRP A 84 -10.015 -9.972 2.353 1.00 0.00 C ATOM 0 H TRP A 84 -5.863 -6.124 2.176 1.00 0.00 H new ATOM 0 HA TRP A 84 -4.017 -6.496 4.555 1.00 0.00 H new ATOM 0 HB2 TRP A 84 -6.057 -7.931 5.315 1.00 0.00 H new ATOM 0 HB3 TRP A 84 -6.214 -6.192 5.462 1.00 0.00 H new ATOM 0 HD1 TRP A 84 -7.515 -4.939 3.342 1.00 0.00 H new ATOM 0 HE1 TRP A 84 -9.551 -5.736 1.965 1.00 0.00 H new ATOM 0 HE3 TRP A 84 -7.275 -9.933 4.382 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 -10.878 -8.238 1.410 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 -8.934 -11.500 3.418 1.00 0.00 H new ATOM 0 HH2 TRP A 84 -10.737 -10.660 1.937 1.00 0.00 H new ATOM 1283 N CYS A 85 -4.104 -9.145 4.007 1.00 0.00 N ATOM 1284 CA CYS A 85 -3.679 -10.410 3.354 1.00 0.00 C ATOM 1285 C CYS A 85 -3.546 -11.543 4.373 1.00 0.00 C ATOM 1286 O CYS A 85 -3.085 -11.348 5.480 1.00 0.00 O ATOM 1287 CB CYS A 85 -2.320 -10.068 2.746 1.00 0.00 C ATOM 1288 SG CYS A 85 -2.083 -11.013 1.226 1.00 0.00 S ATOM 0 H CYS A 85 -4.120 -9.153 5.027 1.00 0.00 H new ATOM 0 HA CYS A 85 -4.400 -10.759 2.615 1.00 0.00 H new ATOM 0 HB2 CYS A 85 -2.263 -9.000 2.535 1.00 0.00 H new ATOM 0 HB3 CYS A 85 -1.525 -10.296 3.456 1.00 0.00 H new ATOM 1293 N TYR A 86 -3.936 -12.733 3.998 1.00 0.00 N ATOM 1294 CA TYR A 86 -3.818 -13.885 4.936 1.00 0.00 C ATOM 1295 C TYR A 86 -2.340 -14.146 5.230 1.00 0.00 C ATOM 1296 O TYR A 86 -1.477 -13.443 4.749 1.00 0.00 O ATOM 1297 CB TYR A 86 -4.429 -15.074 4.190 1.00 0.00 C ATOM 1298 CG TYR A 86 -5.739 -14.662 3.561 1.00 0.00 C ATOM 1299 CD1 TYR A 86 -6.742 -14.084 4.348 1.00 0.00 C ATOM 1300 CD2 TYR A 86 -5.951 -14.860 2.191 1.00 0.00 C ATOM 1301 CE1 TYR A 86 -7.957 -13.703 3.766 1.00 0.00 C ATOM 1302 CE2 TYR A 86 -7.166 -14.479 1.609 1.00 0.00 C ATOM 1303 CZ TYR A 86 -8.169 -13.900 2.397 1.00 0.00 C ATOM 1304 OH TYR A 86 -9.366 -13.525 1.823 1.00 0.00 O ATOM 0 H TYR A 86 -4.330 -12.956 3.084 1.00 0.00 H new ATOM 0 HA TYR A 86 -4.320 -13.706 5.887 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -3.741 -15.426 3.422 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -4.590 -15.904 4.878 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -6.579 -13.932 5.405 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -5.178 -15.306 1.584 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -8.731 -13.257 4.374 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -7.330 -14.632 0.552 1.00 0.00 H new ATOM 0 HH TYR A 86 -9.542 -12.581 2.020 1.00 0.00 H new ATOM 1314 N THR A 87 -2.035 -15.152 6.002 1.00 0.00 N ATOM 1315 CA THR A 87 -0.601 -15.448 6.298 1.00 0.00 C ATOM 1316 C THR A 87 -0.227 -16.836 5.780 1.00 0.00 C ATOM 1317 O THR A 87 -0.939 -17.797 5.984 1.00 0.00 O ATOM 1318 CB THR A 87 -0.474 -15.423 7.820 1.00 0.00 C ATOM 1319 OG1 THR A 87 -1.744 -15.656 8.404 1.00 0.00 O ATOM 1320 CG2 THR A 87 0.068 -14.070 8.274 1.00 0.00 C ATOM 0 H THR A 87 -2.710 -15.779 6.439 1.00 0.00 H new ATOM 0 HA THR A 87 0.058 -14.724 5.819 1.00 0.00 H new ATOM 0 HB THR A 87 0.217 -16.204 8.138 1.00 0.00 H new ATOM 0 HG1 THR A 87 -1.889 -16.621 8.497 1.00 0.00 H new ATOM 0 HG21 THR A 87 0.156 -14.059 9.360 1.00 0.00 H new ATOM 0 HG22 THR A 87 1.049 -13.903 7.829 1.00 0.00 H new ATOM 0 HG23 THR A 87 -0.613 -13.280 7.957 1.00 0.00 H new ATOM 1328 N MET A 88 0.894 -16.953 5.126 1.00 0.00 N ATOM 1329 CA MET A 88 1.323 -18.285 4.615 1.00 0.00 C ATOM 1330 C MET A 88 1.617 -19.237 5.783 1.00 0.00 C ATOM 1331 O MET A 88 1.925 -20.394 5.581 1.00 0.00 O ATOM 1332 CB MET A 88 2.599 -18.009 3.821 1.00 0.00 C ATOM 1333 CG MET A 88 3.720 -17.607 4.780 1.00 0.00 C ATOM 1334 SD MET A 88 5.147 -18.693 4.530 1.00 0.00 S ATOM 1335 CE MET A 88 6.264 -17.876 5.696 1.00 0.00 C ATOM 0 H MET A 88 1.532 -16.184 4.923 1.00 0.00 H new ATOM 0 HA MET A 88 0.553 -18.759 4.006 1.00 0.00 H new ATOM 0 HB2 MET A 88 2.889 -18.896 3.258 1.00 0.00 H new ATOM 0 HB3 MET A 88 2.424 -17.214 3.096 1.00 0.00 H new ATOM 0 HG2 MET A 88 4.005 -16.569 4.608 1.00 0.00 H new ATOM 0 HG3 MET A 88 3.373 -17.676 5.811 1.00 0.00 H new ATOM 0 HE1 MET A 88 7.056 -17.367 5.146 1.00 0.00 H new ATOM 0 HE2 MET A 88 5.706 -17.148 6.285 1.00 0.00 H new ATOM 0 HE3 MET A 88 6.704 -18.620 6.360 1.00 0.00 H new ATOM 1345 N ASP A 89 1.529 -18.769 7.005 1.00 0.00 N ATOM 1346 CA ASP A 89 1.808 -19.661 8.157 1.00 0.00 C ATOM 1347 C ASP A 89 0.507 -19.997 8.886 1.00 0.00 C ATOM 1348 O ASP A 89 -0.372 -19.168 9.015 1.00 0.00 O ATOM 1349 CB ASP A 89 2.742 -18.860 9.065 1.00 0.00 C ATOM 1350 CG ASP A 89 4.170 -19.393 8.929 1.00 0.00 C ATOM 1351 OD1 ASP A 89 4.450 -20.433 9.502 1.00 0.00 O ATOM 1352 OD2 ASP A 89 4.959 -18.752 8.255 1.00 0.00 O ATOM 0 H ASP A 89 1.277 -17.811 7.247 1.00 0.00 H new ATOM 0 HA ASP A 89 2.255 -20.606 7.850 1.00 0.00 H new ATOM 0 HB2 ASP A 89 2.710 -17.804 8.796 1.00 0.00 H new ATOM 0 HB3 ASP A 89 2.412 -18.936 10.101 1.00 0.00 H new ATOM 1357 N PRO A 90 0.440 -21.212 9.342 1.00 0.00 N ATOM 1358 CA PRO A 90 -0.751 -21.694 10.079 1.00 0.00 C ATOM 1359 C PRO A 90 -0.798 -21.073 11.476 1.00 0.00 C ATOM 1360 O PRO A 90 -1.704 -21.321 12.247 1.00 0.00 O ATOM 1361 CB PRO A 90 -0.539 -23.203 10.153 1.00 0.00 C ATOM 1362 CG PRO A 90 0.941 -23.393 10.031 1.00 0.00 C ATOM 1363 CD PRO A 90 1.468 -22.242 9.212 1.00 0.00 C ATOM 0 HA PRO A 90 -1.693 -21.428 9.600 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -0.913 -23.608 11.093 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -1.070 -23.716 9.351 1.00 0.00 H new ATOM 0 HG2 PRO A 90 1.410 -23.412 11.015 1.00 0.00 H new ATOM 0 HG3 PRO A 90 1.169 -24.344 9.550 1.00 0.00 H new ATOM 0 HD2 PRO A 90 2.431 -21.894 9.587 1.00 0.00 H new ATOM 0 HD3 PRO A 90 1.616 -22.528 8.171 1.00 0.00 H new ATOM 1371 N ASN A 91 0.164 -20.255 11.803 1.00 0.00 N ATOM 1372 CA ASN A 91 0.167 -19.605 13.141 1.00 0.00 C ATOM 1373 C ASN A 91 -0.544 -18.256 13.049 1.00 0.00 C ATOM 1374 O ASN A 91 -0.820 -17.616 14.044 1.00 0.00 O ATOM 1375 CB ASN A 91 1.644 -19.410 13.487 1.00 0.00 C ATOM 1376 CG ASN A 91 2.064 -20.443 14.533 1.00 0.00 C ATOM 1377 OD1 ASN A 91 1.586 -20.421 15.650 1.00 0.00 O ATOM 1378 ND2 ASN A 91 2.944 -21.352 14.218 1.00 0.00 N ATOM 0 H ASN A 91 0.949 -20.009 11.200 1.00 0.00 H new ATOM 0 HA ASN A 91 -0.347 -20.197 13.898 1.00 0.00 H new ATOM 0 HB2 ASN A 91 2.255 -19.515 12.591 1.00 0.00 H new ATOM 0 HB3 ASN A 91 1.809 -18.402 13.869 1.00 0.00 H new ATOM 0 HD21 ASN A 91 3.231 -22.045 14.909 1.00 0.00 H new ATOM 0 HD22 ASN A 91 3.345 -21.370 13.280 1.00 0.00 H new ATOM 1385 N VAL A 92 -0.837 -17.819 11.854 1.00 0.00 N ATOM 1386 CA VAL A 92 -1.523 -16.513 11.688 1.00 0.00 C ATOM 1387 C VAL A 92 -2.734 -16.662 10.767 1.00 0.00 C ATOM 1388 O VAL A 92 -2.666 -17.302 9.736 1.00 0.00 O ATOM 1389 CB VAL A 92 -0.472 -15.609 11.044 1.00 0.00 C ATOM 1390 CG1 VAL A 92 -1.062 -14.213 10.836 1.00 0.00 C ATOM 1391 CG2 VAL A 92 0.745 -15.515 11.967 1.00 0.00 C ATOM 0 H VAL A 92 -0.629 -18.313 10.986 1.00 0.00 H new ATOM 0 HA VAL A 92 -1.893 -16.114 12.632 1.00 0.00 H new ATOM 0 HB VAL A 92 -0.171 -16.023 10.082 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -0.314 -13.567 10.377 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -1.933 -14.280 10.184 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -1.360 -13.797 11.798 1.00 0.00 H new ATOM 0 HG21 VAL A 92 1.498 -14.871 11.512 1.00 0.00 H new ATOM 0 HG22 VAL A 92 0.442 -15.097 12.927 1.00 0.00 H new ATOM 0 HG23 VAL A 92 1.163 -16.510 12.120 1.00 0.00 H new ATOM 1401 N ARG A 93 -3.841 -16.073 11.122 1.00 0.00 N ATOM 1402 CA ARG A 93 -5.041 -16.172 10.258 1.00 0.00 C ATOM 1403 C ARG A 93 -4.910 -15.181 9.099 1.00 0.00 C ATOM 1404 O ARG A 93 -4.920 -15.552 7.942 1.00 0.00 O ATOM 1405 CB ARG A 93 -6.219 -15.800 11.160 1.00 0.00 C ATOM 1406 CG ARG A 93 -6.823 -17.069 11.767 1.00 0.00 C ATOM 1407 CD ARG A 93 -7.592 -17.838 10.690 1.00 0.00 C ATOM 1408 NE ARG A 93 -7.906 -19.158 11.307 1.00 0.00 N ATOM 1409 CZ ARG A 93 -8.858 -19.902 10.811 1.00 0.00 C ATOM 1410 NH1 ARG A 93 -10.091 -19.473 10.816 1.00 0.00 N ATOM 1411 NH2 ARG A 93 -8.577 -21.074 10.311 1.00 0.00 N ATOM 0 H ARG A 93 -3.963 -15.527 11.975 1.00 0.00 H new ATOM 0 HA ARG A 93 -5.171 -17.165 9.827 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -5.886 -15.129 11.952 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -6.975 -15.264 10.586 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -6.034 -17.696 12.183 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -7.490 -16.809 12.589 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -8.502 -17.311 10.402 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -6.993 -17.957 9.787 1.00 0.00 H new ATOM 0 HE ARG A 93 -7.377 -19.481 12.117 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -10.311 -18.557 11.207 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -10.835 -20.054 10.429 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -7.614 -21.409 10.307 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -9.321 -21.655 9.924 1.00 0.00 H new ATOM 1425 N TRP A 94 -4.773 -13.921 9.411 1.00 0.00 N ATOM 1426 CA TRP A 94 -4.623 -12.888 8.347 1.00 0.00 C ATOM 1427 C TRP A 94 -4.027 -11.615 8.951 1.00 0.00 C ATOM 1428 O TRP A 94 -3.937 -11.478 10.155 1.00 0.00 O ATOM 1429 CB TRP A 94 -6.039 -12.633 7.831 1.00 0.00 C ATOM 1430 CG TRP A 94 -6.825 -11.909 8.875 1.00 0.00 C ATOM 1431 CD1 TRP A 94 -7.634 -12.499 9.785 1.00 0.00 C ATOM 1432 CD2 TRP A 94 -6.891 -10.477 9.136 1.00 0.00 C ATOM 1433 NE1 TRP A 94 -8.193 -11.521 10.587 1.00 0.00 N ATOM 1434 CE2 TRP A 94 -7.766 -10.257 10.226 1.00 0.00 C ATOM 1435 CE3 TRP A 94 -6.283 -9.358 8.538 1.00 0.00 C ATOM 1436 CZ2 TRP A 94 -8.028 -8.974 10.706 1.00 0.00 C ATOM 1437 CZ3 TRP A 94 -6.544 -8.065 9.019 1.00 0.00 C ATOM 1438 CH2 TRP A 94 -7.416 -7.873 10.101 1.00 0.00 C ATOM 0 H TRP A 94 -4.758 -13.560 10.365 1.00 0.00 H new ATOM 0 HA TRP A 94 -3.959 -13.207 7.544 1.00 0.00 H new ATOM 0 HB2 TRP A 94 -6.003 -12.045 6.914 1.00 0.00 H new ATOM 0 HB3 TRP A 94 -6.524 -13.578 7.585 1.00 0.00 H new ATOM 0 HD1 TRP A 94 -7.814 -13.560 9.871 1.00 0.00 H new ATOM 0 HE1 TRP A 94 -8.841 -11.709 11.352 1.00 0.00 H new ATOM 0 HE3 TRP A 94 -5.611 -9.494 7.704 1.00 0.00 H new ATOM 0 HZ2 TRP A 94 -8.700 -8.832 11.540 1.00 0.00 H new ATOM 0 HZ3 TRP A 94 -6.071 -7.213 8.553 1.00 0.00 H new ATOM 0 HH2 TRP A 94 -7.614 -6.876 10.466 1.00 0.00 H new ATOM 1449 N GLU A 95 -3.617 -10.679 8.137 1.00 0.00 N ATOM 1450 CA GLU A 95 -3.032 -9.428 8.700 1.00 0.00 C ATOM 1451 C GLU A 95 -2.986 -8.328 7.640 1.00 0.00 C ATOM 1452 O GLU A 95 -2.986 -8.592 6.454 1.00 0.00 O ATOM 1453 CB GLU A 95 -1.619 -9.815 9.137 1.00 0.00 C ATOM 1454 CG GLU A 95 -1.659 -10.350 10.570 1.00 0.00 C ATOM 1455 CD GLU A 95 -0.378 -9.948 11.303 1.00 0.00 C ATOM 1456 OE1 GLU A 95 0.051 -8.819 11.130 1.00 0.00 O ATOM 1457 OE2 GLU A 95 0.152 -10.775 12.026 1.00 0.00 O ATOM 0 H GLU A 95 -3.661 -10.725 7.119 1.00 0.00 H new ATOM 0 HA GLU A 95 -3.624 -9.036 9.527 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -1.213 -10.572 8.466 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -0.959 -8.950 9.078 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -2.529 -9.953 11.093 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -1.760 -11.435 10.561 1.00 0.00 H new ATOM 1464 N TYR A 96 -2.943 -7.093 8.062 1.00 0.00 N ATOM 1465 CA TYR A 96 -2.894 -5.972 7.083 1.00 0.00 C ATOM 1466 C TYR A 96 -1.507 -5.897 6.443 1.00 0.00 C ATOM 1467 O TYR A 96 -0.567 -6.516 6.901 1.00 0.00 O ATOM 1468 CB TYR A 96 -3.180 -4.715 7.903 1.00 0.00 C ATOM 1469 CG TYR A 96 -4.643 -4.362 7.783 1.00 0.00 C ATOM 1470 CD1 TYR A 96 -5.208 -4.143 6.521 1.00 0.00 C ATOM 1471 CD2 TYR A 96 -5.436 -4.258 8.933 1.00 0.00 C ATOM 1472 CE1 TYR A 96 -6.565 -3.818 6.408 1.00 0.00 C ATOM 1473 CE2 TYR A 96 -6.793 -3.934 8.819 1.00 0.00 C ATOM 1474 CZ TYR A 96 -7.358 -3.714 7.557 1.00 0.00 C ATOM 1475 OH TYR A 96 -8.695 -3.396 7.446 1.00 0.00 O ATOM 0 H TYR A 96 -2.940 -6.813 9.043 1.00 0.00 H new ATOM 0 HA TYR A 96 -3.612 -6.096 6.272 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -2.919 -4.882 8.948 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -2.564 -3.888 7.549 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -4.597 -4.225 5.634 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -5.001 -4.428 9.907 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -7.000 -3.647 5.434 1.00 0.00 H new ATOM 0 HE2 TYR A 96 -7.405 -3.854 9.705 1.00 0.00 H new ATOM 0 HH TYR A 96 -9.099 -3.365 8.338 1.00 0.00 H new ATOM 1485 N CYS A 97 -1.370 -5.147 5.385 1.00 0.00 N ATOM 1486 CA CYS A 97 -0.043 -5.041 4.717 1.00 0.00 C ATOM 1487 C CYS A 97 0.673 -3.763 5.156 1.00 0.00 C ATOM 1488 O CYS A 97 0.081 -2.706 5.236 1.00 0.00 O ATOM 1489 CB CYS A 97 -0.356 -5.003 3.222 1.00 0.00 C ATOM 1490 SG CYS A 97 -0.550 -6.695 2.609 1.00 0.00 S ATOM 0 H CYS A 97 -2.118 -4.604 4.955 1.00 0.00 H new ATOM 0 HA CYS A 97 0.616 -5.870 4.972 1.00 0.00 H new ATOM 0 HB2 CYS A 97 -1.268 -4.433 3.044 1.00 0.00 H new ATOM 0 HB3 CYS A 97 0.446 -4.498 2.683 1.00 0.00 H new ATOM 1495 N ASN A 98 1.943 -3.857 5.446 1.00 0.00 N ATOM 1496 CA ASN A 98 2.702 -2.649 5.884 1.00 0.00 C ATOM 1497 C ASN A 98 2.522 -1.516 4.874 1.00 0.00 C ATOM 1498 O ASN A 98 3.327 -1.336 3.981 1.00 0.00 O ATOM 1499 CB ASN A 98 4.165 -3.089 5.922 1.00 0.00 C ATOM 1500 CG ASN A 98 4.483 -3.690 7.292 1.00 0.00 C ATOM 1501 OD1 ASN A 98 3.943 -3.267 8.294 1.00 0.00 O ATOM 1502 ND2 ASN A 98 5.344 -4.667 7.378 1.00 0.00 N ATOM 0 H ASN A 98 2.488 -4.718 5.399 1.00 0.00 H new ATOM 0 HA ASN A 98 2.358 -2.279 6.850 1.00 0.00 H new ATOM 0 HB2 ASN A 98 4.355 -3.822 5.139 1.00 0.00 H new ATOM 0 HB3 ASN A 98 4.817 -2.237 5.727 1.00 0.00 H new ATOM 0 HD21 ASN A 98 5.563 -5.075 8.287 1.00 0.00 H new ATOM 0 HD22 ASN A 98 5.798 -5.022 6.536 1.00 0.00 H new ATOM 1509 N LEU A 99 1.474 -0.753 5.000 1.00 0.00 N ATOM 1510 CA LEU A 99 1.254 0.360 4.036 1.00 0.00 C ATOM 1511 C LEU A 99 0.741 1.610 4.754 1.00 0.00 C ATOM 1512 O LEU A 99 -0.117 1.541 5.611 1.00 0.00 O ATOM 1513 CB LEU A 99 0.197 -0.166 3.068 1.00 0.00 C ATOM 1514 CG LEU A 99 0.782 -1.323 2.262 1.00 0.00 C ATOM 1515 CD1 LEU A 99 -0.343 -2.062 1.537 1.00 0.00 C ATOM 1516 CD2 LEU A 99 1.774 -0.771 1.237 1.00 0.00 C ATOM 0 H LEU A 99 0.763 -0.851 5.725 1.00 0.00 H new ATOM 0 HA LEU A 99 2.176 0.648 3.530 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -0.683 -0.499 3.618 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -0.128 0.631 2.399 1.00 0.00 H new ATOM 0 HG LEU A 99 1.294 -2.014 2.932 1.00 0.00 H new ATOM 0 HD11 LEU A 99 0.076 -2.888 0.962 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -1.052 -2.451 2.267 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -0.856 -1.374 0.864 1.00 0.00 H new ATOM 0 HD21 LEU A 99 2.195 -1.593 0.659 1.00 0.00 H new ATOM 0 HD22 LEU A 99 1.259 -0.082 0.567 1.00 0.00 H new ATOM 0 HD23 LEU A 99 2.576 -0.244 1.754 1.00 0.00 H new ATOM 1528 N THR A 100 1.255 2.753 4.394 1.00 0.00 N ATOM 1529 CA THR A 100 0.800 4.016 5.031 1.00 0.00 C ATOM 1530 C THR A 100 0.086 4.885 3.996 1.00 0.00 C ATOM 1531 O THR A 100 0.277 4.730 2.810 1.00 0.00 O ATOM 1532 CB THR A 100 2.072 4.705 5.505 1.00 0.00 C ATOM 1533 OG1 THR A 100 2.833 5.119 4.378 1.00 0.00 O ATOM 1534 CG2 THR A 100 2.894 3.736 6.353 1.00 0.00 C ATOM 0 H THR A 100 1.976 2.865 3.681 1.00 0.00 H new ATOM 0 HA THR A 100 0.104 3.839 5.851 1.00 0.00 H new ATOM 0 HB THR A 100 1.812 5.576 6.106 1.00 0.00 H new ATOM 0 HG1 THR A 100 3.707 4.676 4.393 1.00 0.00 H new ATOM 0 HG21 THR A 100 3.804 4.231 6.692 1.00 0.00 H new ATOM 0 HG22 THR A 100 2.309 3.422 7.217 1.00 0.00 H new ATOM 0 HG23 THR A 100 3.156 2.863 5.756 1.00 0.00 H new ATOM 1542 N GLN A 101 -0.731 5.798 4.430 1.00 0.00 N ATOM 1543 CA GLN A 101 -1.447 6.668 3.452 1.00 0.00 C ATOM 1544 C GLN A 101 -0.454 7.612 2.770 1.00 0.00 C ATOM 1545 O GLN A 101 -0.204 8.705 3.239 1.00 0.00 O ATOM 1546 CB GLN A 101 -2.457 7.459 4.283 1.00 0.00 C ATOM 1547 CG GLN A 101 -3.625 7.888 3.391 1.00 0.00 C ATOM 1548 CD GLN A 101 -4.551 8.823 4.172 1.00 0.00 C ATOM 1549 OE1 GLN A 101 -4.114 9.527 5.061 1.00 0.00 O ATOM 1550 NE2 GLN A 101 -5.821 8.862 3.873 1.00 0.00 N ATOM 0 H GLN A 101 -0.936 5.982 5.412 1.00 0.00 H new ATOM 0 HA GLN A 101 -1.935 6.093 2.665 1.00 0.00 H new ATOM 0 HB2 GLN A 101 -2.821 6.849 5.110 1.00 0.00 H new ATOM 0 HB3 GLN A 101 -1.978 8.335 4.720 1.00 0.00 H new ATOM 0 HG2 GLN A 101 -3.250 8.392 2.500 1.00 0.00 H new ATOM 0 HG3 GLN A 101 -4.178 7.012 3.052 1.00 0.00 H new ATOM 0 HE21 GLN A 101 -6.188 8.271 3.127 1.00 0.00 H new ATOM 0 HE22 GLN A 101 -6.447 9.483 4.386 1.00 0.00 H new ATOM 1559 N CYS A 102 0.123 7.202 1.670 1.00 0.00 N ATOM 1560 CA CYS A 102 1.100 8.084 0.982 1.00 0.00 C ATOM 1561 C CYS A 102 0.554 9.512 0.889 1.00 0.00 C ATOM 1562 O CYS A 102 -0.343 9.785 0.117 1.00 0.00 O ATOM 1563 CB CYS A 102 1.279 7.479 -0.409 1.00 0.00 C ATOM 1564 SG CYS A 102 2.997 6.944 -0.607 1.00 0.00 S ATOM 0 H CYS A 102 -0.041 6.300 1.224 1.00 0.00 H new ATOM 0 HA CYS A 102 2.047 8.145 1.518 1.00 0.00 H new ATOM 0 HB2 CYS A 102 0.604 6.633 -0.541 1.00 0.00 H new ATOM 0 HB3 CYS A 102 1.023 8.213 -1.174 1.00 0.00 H new ATOM 1569 N PRO A 103 1.119 10.376 1.688 1.00 0.00 N ATOM 1570 CA PRO A 103 0.687 11.794 1.707 1.00 0.00 C ATOM 1571 C PRO A 103 1.173 12.520 0.449 1.00 0.00 C ATOM 1572 O PRO A 103 2.216 12.213 -0.094 1.00 0.00 O ATOM 1573 CB PRO A 103 1.362 12.357 2.956 1.00 0.00 C ATOM 1574 CG PRO A 103 2.548 11.476 3.187 1.00 0.00 C ATOM 1575 CD PRO A 103 2.203 10.114 2.641 1.00 0.00 C ATOM 0 HA PRO A 103 -0.397 11.911 1.724 1.00 0.00 H new ATOM 0 HB2 PRO A 103 1.664 13.394 2.808 1.00 0.00 H new ATOM 0 HB3 PRO A 103 0.686 12.341 3.811 1.00 0.00 H new ATOM 0 HG2 PRO A 103 3.430 11.879 2.688 1.00 0.00 H new ATOM 0 HG3 PRO A 103 2.782 11.417 4.250 1.00 0.00 H new ATOM 0 HD2 PRO A 103 3.060 9.651 2.152 1.00 0.00 H new ATOM 0 HD3 PRO A 103 1.883 9.436 3.433 1.00 0.00 H new ATOM 1583 N VAL A 104 0.423 13.480 -0.018 1.00 0.00 N ATOM 1584 CA VAL A 104 0.839 14.226 -1.241 1.00 0.00 C ATOM 1585 C VAL A 104 2.108 15.037 -0.958 1.00 0.00 C ATOM 1586 O VAL A 104 2.795 14.815 0.019 1.00 0.00 O ATOM 1587 CB VAL A 104 -0.347 15.145 -1.562 1.00 0.00 C ATOM 1588 CG1 VAL A 104 -0.281 16.412 -0.703 1.00 0.00 C ATOM 1589 CG2 VAL A 104 -0.317 15.528 -3.044 1.00 0.00 C ATOM 0 H VAL A 104 -0.460 13.781 0.394 1.00 0.00 H new ATOM 0 HA VAL A 104 1.074 13.566 -2.076 1.00 0.00 H new ATOM 0 HB VAL A 104 -1.274 14.615 -1.342 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -1.128 17.056 -0.940 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -0.316 16.139 0.352 1.00 0.00 H new ATOM 0 HG13 VAL A 104 0.648 16.943 -0.909 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -1.161 16.181 -3.268 1.00 0.00 H new ATOM 0 HG22 VAL A 104 0.614 16.049 -3.266 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -0.383 14.627 -3.654 1.00 0.00 H new ATOM 1599 N THR A 105 2.421 15.977 -1.805 1.00 0.00 N ATOM 1600 CA THR A 105 3.641 16.804 -1.588 1.00 0.00 C ATOM 1601 C THR A 105 3.251 18.254 -1.293 1.00 0.00 C ATOM 1602 O THR A 105 2.536 18.880 -2.050 1.00 0.00 O ATOM 1603 CB THR A 105 4.416 16.713 -2.903 1.00 0.00 C ATOM 1604 OG1 THR A 105 5.735 17.204 -2.708 1.00 0.00 O ATOM 1605 CG2 THR A 105 3.711 17.549 -3.973 1.00 0.00 C ATOM 0 H THR A 105 1.883 16.209 -2.640 1.00 0.00 H new ATOM 0 HA THR A 105 4.232 16.457 -0.741 1.00 0.00 H new ATOM 0 HB THR A 105 4.459 15.674 -3.228 1.00 0.00 H new ATOM 0 HG1 THR A 105 6.234 17.145 -3.549 1.00 0.00 H new ATOM 0 HG21 THR A 105 4.265 17.483 -4.910 1.00 0.00 H new ATOM 0 HG22 THR A 105 2.700 17.171 -4.122 1.00 0.00 H new ATOM 0 HG23 THR A 105 3.666 18.589 -3.651 1.00 0.00 H new ATOM 1613 N GLU A 106 3.716 18.794 -0.200 1.00 0.00 N ATOM 1614 CA GLU A 106 3.370 20.204 0.139 1.00 0.00 C ATOM 1615 C GLU A 106 1.860 20.423 0.016 1.00 0.00 C ATOM 1616 O GLU A 106 1.372 20.903 -0.988 1.00 0.00 O ATOM 1617 CB GLU A 106 4.121 21.051 -0.889 1.00 0.00 C ATOM 1618 CG GLU A 106 4.622 22.335 -0.227 1.00 0.00 C ATOM 1619 CD GLU A 106 6.130 22.233 0.008 1.00 0.00 C ATOM 1620 OE1 GLU A 106 6.829 21.853 -0.917 1.00 0.00 O ATOM 1621 OE2 GLU A 106 6.560 22.537 1.108 1.00 0.00 O ATOM 0 H GLU A 106 4.320 18.321 0.472 1.00 0.00 H new ATOM 0 HA GLU A 106 3.645 20.464 1.161 1.00 0.00 H new ATOM 0 HB2 GLU A 106 4.961 20.488 -1.296 1.00 0.00 H new ATOM 0 HB3 GLU A 106 3.465 21.293 -1.725 1.00 0.00 H new ATOM 0 HG2 GLU A 106 4.399 23.194 -0.860 1.00 0.00 H new ATOM 0 HG3 GLU A 106 4.106 22.494 0.720 1.00 0.00 H new ATOM 1628 N SER A 107 1.118 20.077 1.032 1.00 0.00 N ATOM 1629 CA SER A 107 -0.359 20.267 0.975 1.00 0.00 C ATOM 1630 C SER A 107 -0.706 21.745 1.173 1.00 0.00 C ATOM 1631 O SER A 107 -0.422 22.326 2.202 1.00 0.00 O ATOM 1632 CB SER A 107 -0.910 19.428 2.126 1.00 0.00 C ATOM 1633 OG SER A 107 -0.198 19.739 3.316 1.00 0.00 O ATOM 0 H SER A 107 1.470 19.671 1.899 1.00 0.00 H new ATOM 0 HA SER A 107 -0.780 19.966 0.015 1.00 0.00 H new ATOM 0 HB2 SER A 107 -1.973 19.629 2.261 1.00 0.00 H new ATOM 0 HB3 SER A 107 -0.813 18.367 1.897 1.00 0.00 H new ATOM 0 HG SER A 107 -0.027 20.703 3.353 1.00 0.00 H new ATOM 1639 N SER A 108 -1.315 22.358 0.196 1.00 0.00 N ATOM 1640 CA SER A 108 -1.674 23.798 0.332 1.00 0.00 C ATOM 1641 C SER A 108 -2.869 24.137 -0.561 1.00 0.00 C ATOM 1642 O SER A 108 -3.351 23.312 -1.312 1.00 0.00 O ATOM 1643 CB SER A 108 -0.432 24.560 -0.127 1.00 0.00 C ATOM 1644 OG SER A 108 0.730 23.896 0.354 1.00 0.00 O ATOM 0 H SER A 108 -1.579 21.925 -0.689 1.00 0.00 H new ATOM 0 HA SER A 108 -1.959 24.055 1.352 1.00 0.00 H new ATOM 0 HB2 SER A 108 -0.408 24.618 -1.215 1.00 0.00 H new ATOM 0 HB3 SER A 108 -0.461 25.584 0.246 1.00 0.00 H new ATOM 0 HG SER A 108 1.529 24.381 0.060 1.00 0.00 H new ATOM 1650 N VAL A 109 -3.346 25.349 -0.487 1.00 0.00 N ATOM 1651 CA VAL A 109 -4.507 25.748 -1.332 1.00 0.00 C ATOM 1652 C VAL A 109 -4.364 27.212 -1.756 1.00 0.00 C ATOM 1653 O VAL A 109 -3.283 27.766 -1.752 1.00 0.00 O ATOM 1654 CB VAL A 109 -5.733 25.566 -0.437 1.00 0.00 C ATOM 1655 CG1 VAL A 109 -5.918 24.082 -0.117 1.00 0.00 C ATOM 1656 CG2 VAL A 109 -5.531 26.345 0.865 1.00 0.00 C ATOM 0 H VAL A 109 -2.982 26.081 0.123 1.00 0.00 H new ATOM 0 HA VAL A 109 -4.580 25.155 -2.244 1.00 0.00 H new ATOM 0 HB VAL A 109 -6.618 25.939 -0.953 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -6.792 23.954 0.521 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -6.060 23.525 -1.043 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -5.034 23.708 0.399 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -6.404 26.217 1.505 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -4.646 25.971 1.379 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -5.399 27.403 0.639 1.00 0.00 H new ATOM 1666 N LEU A 110 -5.446 27.844 -2.118 1.00 0.00 N ATOM 1667 CA LEU A 110 -5.367 29.273 -2.538 1.00 0.00 C ATOM 1668 C LEU A 110 -5.342 30.182 -1.306 1.00 0.00 C ATOM 1669 O LEU A 110 -5.228 29.722 -0.187 1.00 0.00 O ATOM 1670 CB LEU A 110 -6.634 29.517 -3.358 1.00 0.00 C ATOM 1671 CG LEU A 110 -7.858 29.406 -2.449 1.00 0.00 C ATOM 1672 CD1 LEU A 110 -8.519 30.778 -2.309 1.00 0.00 C ATOM 1673 CD2 LEU A 110 -8.857 28.421 -3.060 1.00 0.00 C ATOM 0 H LEU A 110 -6.380 27.435 -2.141 1.00 0.00 H new ATOM 0 HA LEU A 110 -4.465 29.487 -3.111 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -6.598 30.504 -3.818 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -6.702 28.790 -4.168 1.00 0.00 H new ATOM 0 HG LEU A 110 -7.548 29.051 -1.466 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -9.391 30.697 -1.661 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -7.808 31.482 -1.875 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -8.829 31.135 -3.291 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -9.731 28.340 -2.413 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -9.165 28.778 -4.043 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -8.388 27.442 -3.160 1.00 0.00 H new ATOM 1685 N ALA A 111 -5.448 31.467 -1.501 1.00 0.00 N ATOM 1686 CA ALA A 111 -5.430 32.401 -0.338 1.00 0.00 C ATOM 1687 C ALA A 111 -6.670 33.299 -0.359 1.00 0.00 C ATOM 1688 O ALA A 111 -7.515 33.225 0.511 1.00 0.00 O ATOM 1689 CB ALA A 111 -4.160 33.233 -0.518 1.00 0.00 C ATOM 0 H ALA A 111 -5.546 31.911 -2.414 1.00 0.00 H new ATOM 0 HA ALA A 111 -5.439 31.873 0.616 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -4.074 33.947 0.301 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -3.291 32.575 -0.519 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -4.209 33.771 -1.465 1.00 0.00 H new ATOM 1695 N THR A 112 -6.785 34.148 -1.343 1.00 0.00 N ATOM 1696 CA THR A 112 -7.972 35.049 -1.413 1.00 0.00 C ATOM 1697 C THR A 112 -8.382 35.270 -2.872 1.00 0.00 C ATOM 1698 O THR A 112 -7.588 35.683 -3.694 1.00 0.00 O ATOM 1699 CB THR A 112 -7.511 36.360 -0.776 1.00 0.00 C ATOM 1700 OG1 THR A 112 -6.124 36.544 -1.026 1.00 0.00 O ATOM 1701 CG2 THR A 112 -7.758 36.309 0.732 1.00 0.00 C ATOM 0 H THR A 112 -6.111 34.257 -2.100 1.00 0.00 H new ATOM 0 HA THR A 112 -8.840 34.633 -0.901 1.00 0.00 H new ATOM 0 HB THR A 112 -8.071 37.191 -1.206 1.00 0.00 H new ATOM 0 HG1 THR A 112 -5.827 37.385 -0.620 1.00 0.00 H new ATOM 0 HG21 THR A 112 -7.429 37.244 1.186 1.00 0.00 H new ATOM 0 HG22 THR A 112 -8.822 36.168 0.922 1.00 0.00 H new ATOM 0 HG23 THR A 112 -7.199 35.479 1.164 1.00 0.00 H new ATOM 1709 N SER A 113 -9.615 34.995 -3.197 1.00 0.00 N ATOM 1710 CA SER A 113 -10.078 35.185 -4.603 1.00 0.00 C ATOM 1711 C SER A 113 -10.263 36.674 -4.907 1.00 0.00 C ATOM 1712 O SER A 113 -9.448 37.288 -5.567 1.00 0.00 O ATOM 1713 CB SER A 113 -11.416 34.451 -4.679 1.00 0.00 C ATOM 1714 OG SER A 113 -12.276 34.937 -3.657 1.00 0.00 O ATOM 0 H SER A 113 -10.323 34.647 -2.551 1.00 0.00 H new ATOM 0 HA SER A 113 -9.360 34.803 -5.329 1.00 0.00 H new ATOM 0 HB2 SER A 113 -11.872 34.603 -5.657 1.00 0.00 H new ATOM 0 HB3 SER A 113 -11.263 33.378 -4.562 1.00 0.00 H new ATOM 0 HG SER A 113 -13.136 34.470 -3.704 1.00 0.00 H new ATOM 1720 N THR A 114 -11.330 37.259 -4.435 1.00 0.00 N ATOM 1721 CA THR A 114 -11.563 38.708 -4.702 1.00 0.00 C ATOM 1722 C THR A 114 -11.920 39.438 -3.405 1.00 0.00 C ATOM 1723 O THR A 114 -11.267 40.385 -3.015 1.00 0.00 O ATOM 1724 CB THR A 114 -12.738 38.746 -5.681 1.00 0.00 C ATOM 1725 OG1 THR A 114 -12.312 38.266 -6.948 1.00 0.00 O ATOM 1726 CG2 THR A 114 -13.244 40.183 -5.820 1.00 0.00 C ATOM 0 H THR A 114 -12.049 36.798 -3.877 1.00 0.00 H new ATOM 0 HA THR A 114 -10.678 39.200 -5.107 1.00 0.00 H new ATOM 0 HB THR A 114 -13.544 38.116 -5.306 1.00 0.00 H new ATOM 0 HG1 THR A 114 -13.064 38.288 -7.576 1.00 0.00 H new ATOM 0 HG21 THR A 114 -14.081 40.208 -6.518 1.00 0.00 H new ATOM 0 HG22 THR A 114 -13.572 40.549 -4.847 1.00 0.00 H new ATOM 0 HG23 THR A 114 -12.440 40.817 -6.194 1.00 0.00 H new ATOM 1734 N ALA A 115 -12.954 39.008 -2.735 1.00 0.00 N ATOM 1735 CA ALA A 115 -13.350 39.681 -1.466 1.00 0.00 C ATOM 1736 C ALA A 115 -13.855 38.651 -0.453 1.00 0.00 C ATOM 1737 O ALA A 115 -13.280 38.469 0.602 1.00 0.00 O ATOM 1738 CB ALA A 115 -14.473 40.640 -1.863 1.00 0.00 C ATOM 0 H ALA A 115 -13.541 38.221 -3.011 1.00 0.00 H new ATOM 0 HA ALA A 115 -12.515 40.201 -0.996 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -14.822 41.177 -0.981 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -14.100 41.353 -2.598 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -15.299 40.074 -2.294 1.00 0.00 H new ATOM 1744 N VAL A 116 -14.928 37.976 -0.765 1.00 0.00 N ATOM 1745 CA VAL A 116 -15.471 36.959 0.181 1.00 0.00 C ATOM 1746 C VAL A 116 -14.583 35.712 0.188 1.00 0.00 C ATOM 1747 O VAL A 116 -13.609 35.627 -0.534 1.00 0.00 O ATOM 1748 CB VAL A 116 -16.863 36.625 -0.355 1.00 0.00 C ATOM 1749 CG1 VAL A 116 -17.605 37.919 -0.691 1.00 0.00 C ATOM 1750 CG2 VAL A 116 -16.731 35.772 -1.620 1.00 0.00 C ATOM 0 H VAL A 116 -15.452 38.085 -1.633 1.00 0.00 H new ATOM 0 HA VAL A 116 -15.506 37.326 1.207 1.00 0.00 H new ATOM 0 HB VAL A 116 -17.420 36.072 0.402 1.00 0.00 H new ATOM 0 HG11 VAL A 116 -18.598 37.681 -1.073 1.00 0.00 H new ATOM 0 HG12 VAL A 116 -17.699 38.528 0.208 1.00 0.00 H new ATOM 0 HG13 VAL A 116 -17.048 38.472 -1.448 1.00 0.00 H new ATOM 0 HG21 VAL A 116 -17.723 35.533 -2.003 1.00 0.00 H new ATOM 0 HG22 VAL A 116 -16.174 36.326 -2.376 1.00 0.00 H new ATOM 0 HG23 VAL A 116 -16.202 34.849 -1.383 1.00 0.00 H new ATOM 1760 N SER A 117 -14.913 34.743 0.998 1.00 0.00 N ATOM 1761 CA SER A 117 -14.089 33.501 1.051 1.00 0.00 C ATOM 1762 C SER A 117 -14.641 32.461 0.073 1.00 0.00 C ATOM 1763 O SER A 117 -15.816 32.151 0.080 1.00 0.00 O ATOM 1764 CB SER A 117 -14.217 33.002 2.490 1.00 0.00 C ATOM 1765 OG SER A 117 -12.942 32.577 2.953 1.00 0.00 O ATOM 0 H SER A 117 -15.717 34.757 1.625 1.00 0.00 H new ATOM 0 HA SER A 117 -13.051 33.681 0.773 1.00 0.00 H new ATOM 0 HB2 SER A 117 -14.603 33.796 3.130 1.00 0.00 H new ATOM 0 HB3 SER A 117 -14.928 32.178 2.540 1.00 0.00 H new ATOM 0 HG SER A 117 -13.019 32.258 3.876 1.00 0.00 H new ATOM 1771 N GLU A 118 -13.803 31.918 -0.767 1.00 0.00 N ATOM 1772 CA GLU A 118 -14.282 30.897 -1.743 1.00 0.00 C ATOM 1773 C GLU A 118 -14.383 29.527 -1.066 1.00 0.00 C ATOM 1774 O GLU A 118 -13.599 28.636 -1.328 1.00 0.00 O ATOM 1775 CB GLU A 118 -13.223 30.875 -2.845 1.00 0.00 C ATOM 1776 CG GLU A 118 -13.828 30.287 -4.123 1.00 0.00 C ATOM 1777 CD GLU A 118 -12.783 29.425 -4.833 1.00 0.00 C ATOM 1778 OE1 GLU A 118 -12.037 29.969 -5.631 1.00 0.00 O ATOM 1779 OE2 GLU A 118 -12.746 28.234 -4.568 1.00 0.00 O ATOM 0 H GLU A 118 -12.808 32.137 -0.820 1.00 0.00 H new ATOM 0 HA GLU A 118 -15.272 31.131 -2.135 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -12.858 31.885 -3.034 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -12.366 30.280 -2.529 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -14.705 29.687 -3.880 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -14.162 31.088 -4.782 1.00 0.00 H new ATOM 1786 N GLN A 119 -15.341 29.351 -0.198 1.00 0.00 N ATOM 1787 CA GLN A 119 -15.489 28.038 0.493 1.00 0.00 C ATOM 1788 C GLN A 119 -15.966 26.971 -0.495 1.00 0.00 C ATOM 1789 O GLN A 119 -15.657 25.811 -0.280 1.00 0.00 O ATOM 1790 CB GLN A 119 -16.540 28.276 1.577 1.00 0.00 C ATOM 1791 CG GLN A 119 -15.901 28.095 2.955 1.00 0.00 C ATOM 1792 CD GLN A 119 -16.567 26.922 3.676 1.00 0.00 C ATOM 1793 OE1 GLN A 119 -17.653 27.056 4.205 1.00 0.00 O ATOM 1794 NE2 GLN A 119 -15.958 25.769 3.721 1.00 0.00 N ATOM 1795 OXT GLN A 119 -16.633 27.333 -1.451 1.00 0.00 O ATOM 0 H GLN A 119 -16.028 30.059 0.063 1.00 0.00 H new ATOM 0 HA GLN A 119 -14.547 27.683 0.911 1.00 0.00 H new ATOM 0 HB2 GLN A 119 -16.952 29.281 1.485 1.00 0.00 H new ATOM 0 HB3 GLN A 119 -17.369 27.579 1.454 1.00 0.00 H new ATOM 0 HG2 GLN A 119 -14.832 27.912 2.850 1.00 0.00 H new ATOM 0 HG3 GLN A 119 -16.012 29.007 3.542 1.00 0.00 H new ATOM 0 HE21 GLN A 119 -15.047 25.656 3.277 1.00 0.00 H new ATOM 0 HE22 GLN A 119 -16.393 24.981 4.200 1.00 0.00 H new TER 1804 GLN A 119