USER MOD reduce.3.24.130724 H: found=0, std=0, add=794, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 792 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 60 ASN :FLIP amide:sc= 0.734 F(o=0.55,f=2) USER MOD Set 1.2: A 79 SER OG : rot 57:sc= 1.24 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 CYS SG : rot 160:sc= -0.281 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot 24:sc= 0.225 USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ -162:sc= -0.0468 (180deg=-0.339) USER MOD Single : A 35 TYR OH : rot 120:sc= -3.48! USER MOD Single : A 36 MET CE :methyl -118:sc= 0 (180deg=-0.048) USER MOD Single : A 37 THR OG1 : rot -130:sc= -0.539 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= -4.53 K(o=-4.5,f=-6.3!) USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 55 HIS :FLIP no HD1:sc= -0.118 F(o=-0.63,f=-0.12) USER MOD Single : A 63 ASN : amide:sc= 0.00175 X(o=0.0017,f=0) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 HIS : no HD1:sc= -0.677 X(o=-0.68,f=-1.1) USER MOD Single : A 75 LYS NZ :NH3+ -140:sc= -2.55 (180deg=-5.89!) USER MOD Single : A 77 LYS NZ :NH3+ -119:sc= -0.0146 (180deg=-1.02) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 84 MET CE :methyl -165:sc=-0.000554 (180deg=-0.236) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 HIS : no HD1:sc= -0.266 X(o=-0.27,f=-0.0087) USER MOD Single : A 99 GLN : amide:sc= -1.8! C(o=-1.8!,f=-3.8!) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 17.543 -9.039 -9.789 1.00 0.00 N ATOM 2 CA GLY A 1 17.981 -8.336 -10.981 1.00 0.00 C ATOM 3 C GLY A 1 16.851 -7.593 -11.664 1.00 0.00 C ATOM 4 O GLY A 1 16.050 -6.928 -11.008 1.00 0.00 O ATOM 0 H1 GLY A 1 18.352 -9.531 -9.359 1.00 0.00 H new ATOM 0 H2 GLY A 1 17.151 -8.357 -9.108 1.00 0.00 H new ATOM 0 H3 GLY A 1 16.812 -9.733 -10.044 1.00 0.00 H new ATOM 0 HA2 GLY A 1 18.767 -7.630 -10.714 1.00 0.00 H new ATOM 0 HA3 GLY A 1 18.417 -9.049 -11.680 1.00 0.00 H new ATOM 8 N SER A 2 16.786 -7.704 -12.987 1.00 0.00 N ATOM 9 CA SER A 2 15.749 -7.033 -13.761 1.00 0.00 C ATOM 10 C SER A 2 14.953 -8.037 -14.589 1.00 0.00 C ATOM 11 O SER A 2 14.623 -7.780 -15.747 1.00 0.00 O ATOM 12 CB SER A 2 16.370 -5.976 -14.677 1.00 0.00 C ATOM 13 OG SER A 2 17.046 -4.983 -13.926 1.00 0.00 O ATOM 0 H SER A 2 17.440 -8.253 -13.545 1.00 0.00 H new ATOM 0 HA SER A 2 15.069 -6.544 -13.064 1.00 0.00 H new ATOM 0 HB2 SER A 2 17.067 -6.452 -15.366 1.00 0.00 H new ATOM 0 HB3 SER A 2 15.591 -5.512 -15.282 1.00 0.00 H new ATOM 0 HG SER A 2 17.435 -4.321 -14.535 1.00 0.00 H new ATOM 19 N SER A 3 14.650 -9.182 -13.987 1.00 0.00 N ATOM 20 CA SER A 3 13.896 -10.228 -14.669 1.00 0.00 C ATOM 21 C SER A 3 12.402 -10.085 -14.399 1.00 0.00 C ATOM 22 O SER A 3 11.907 -10.496 -13.350 1.00 0.00 O ATOM 23 CB SER A 3 14.378 -11.609 -14.220 1.00 0.00 C ATOM 24 OG SER A 3 15.776 -11.745 -14.401 1.00 0.00 O ATOM 0 H SER A 3 14.915 -9.409 -13.029 1.00 0.00 H new ATOM 0 HA SER A 3 14.065 -10.123 -15.741 1.00 0.00 H new ATOM 0 HB2 SER A 3 14.128 -11.761 -13.170 1.00 0.00 H new ATOM 0 HB3 SER A 3 13.858 -12.381 -14.787 1.00 0.00 H new ATOM 0 HG SER A 3 16.059 -12.635 -14.105 1.00 0.00 H new ATOM 30 N GLY A 4 11.687 -9.498 -15.354 1.00 0.00 N ATOM 31 CA GLY A 4 10.256 -9.311 -15.201 1.00 0.00 C ATOM 32 C GLY A 4 9.914 -8.017 -14.488 1.00 0.00 C ATOM 33 O GLY A 4 10.182 -7.868 -13.296 1.00 0.00 O ATOM 0 H GLY A 4 12.073 -9.149 -16.231 1.00 0.00 H new ATOM 0 HA2 GLY A 4 9.785 -9.316 -16.184 1.00 0.00 H new ATOM 0 HA3 GLY A 4 9.840 -10.150 -14.644 1.00 0.00 H new ATOM 37 N SER A 5 9.321 -7.079 -15.220 1.00 0.00 N ATOM 38 CA SER A 5 8.947 -5.789 -14.652 1.00 0.00 C ATOM 39 C SER A 5 7.457 -5.751 -14.327 1.00 0.00 C ATOM 40 O SER A 5 7.064 -5.475 -13.193 1.00 0.00 O ATOM 41 CB SER A 5 9.298 -4.660 -15.622 1.00 0.00 C ATOM 42 OG SER A 5 9.513 -3.442 -14.930 1.00 0.00 O ATOM 0 H SER A 5 9.089 -7.188 -16.207 1.00 0.00 H new ATOM 0 HA SER A 5 9.507 -5.650 -13.727 1.00 0.00 H new ATOM 0 HB2 SER A 5 10.193 -4.925 -16.185 1.00 0.00 H new ATOM 0 HB3 SER A 5 8.492 -4.534 -16.345 1.00 0.00 H new ATOM 0 HG SER A 5 9.738 -2.736 -15.572 1.00 0.00 H new ATOM 48 N SER A 6 6.631 -6.030 -15.331 1.00 0.00 N ATOM 49 CA SER A 6 5.184 -6.023 -15.154 1.00 0.00 C ATOM 50 C SER A 6 4.564 -7.308 -15.697 1.00 0.00 C ATOM 51 O SER A 6 5.088 -7.917 -16.629 1.00 0.00 O ATOM 52 CB SER A 6 4.568 -4.811 -15.855 1.00 0.00 C ATOM 53 OG SER A 6 4.814 -3.621 -15.126 1.00 0.00 O ATOM 0 H SER A 6 6.939 -6.264 -16.275 1.00 0.00 H new ATOM 0 HA SER A 6 4.974 -5.961 -14.086 1.00 0.00 H new ATOM 0 HB2 SER A 6 4.982 -4.718 -16.859 1.00 0.00 H new ATOM 0 HB3 SER A 6 3.494 -4.958 -15.966 1.00 0.00 H new ATOM 0 HG SER A 6 4.412 -2.861 -15.596 1.00 0.00 H new ATOM 59 N GLY A 7 3.444 -7.713 -15.106 1.00 0.00 N ATOM 60 CA GLY A 7 2.771 -8.923 -15.543 1.00 0.00 C ATOM 61 C GLY A 7 1.289 -8.907 -15.229 1.00 0.00 C ATOM 62 O GLY A 7 0.578 -7.977 -15.609 1.00 0.00 O ATOM 0 H GLY A 7 2.991 -7.226 -14.333 1.00 0.00 H new ATOM 0 HA2 GLY A 7 2.910 -9.045 -16.617 1.00 0.00 H new ATOM 0 HA3 GLY A 7 3.232 -9.786 -15.062 1.00 0.00 H new ATOM 66 N GLN A 8 0.822 -9.939 -14.534 1.00 0.00 N ATOM 67 CA GLN A 8 -0.587 -10.040 -14.171 1.00 0.00 C ATOM 68 C GLN A 8 -1.010 -8.865 -13.296 1.00 0.00 C ATOM 69 O GLN A 8 -1.921 -8.107 -13.629 1.00 0.00 O ATOM 70 CB GLN A 8 -0.854 -11.357 -13.440 1.00 0.00 C ATOM 71 CG GLN A 8 -1.972 -11.268 -12.414 1.00 0.00 C ATOM 72 CD GLN A 8 -2.691 -12.589 -12.218 1.00 0.00 C ATOM 73 OE1 GLN A 8 -2.071 -13.606 -11.906 1.00 0.00 O ATOM 74 NE2 GLN A 8 -4.006 -12.580 -12.401 1.00 0.00 N ATOM 0 H GLN A 8 1.398 -10.716 -14.211 1.00 0.00 H new ATOM 0 HA GLN A 8 -1.175 -10.016 -15.089 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -1.104 -12.125 -14.172 1.00 0.00 H new ATOM 0 HB3 GLN A 8 0.061 -11.678 -12.941 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -1.560 -10.938 -11.460 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -2.690 -10.511 -12.729 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -4.479 -11.714 -12.659 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -4.543 -13.439 -12.283 1.00 0.00 H new ATOM 83 N PRO A 9 -0.334 -8.708 -12.148 1.00 0.00 N ATOM 84 CA PRO A 9 -0.622 -7.627 -11.201 1.00 0.00 C ATOM 85 C PRO A 9 -0.216 -6.260 -11.741 1.00 0.00 C ATOM 86 O PRO A 9 0.370 -6.157 -12.819 1.00 0.00 O ATOM 87 CB PRO A 9 0.224 -7.991 -9.979 1.00 0.00 C ATOM 88 CG PRO A 9 1.339 -8.816 -10.522 1.00 0.00 C ATOM 89 CD PRO A 9 0.765 -9.574 -11.687 1.00 0.00 C ATOM 0 HA PRO A 9 -1.688 -7.544 -10.989 1.00 0.00 H new ATOM 0 HB2 PRO A 9 0.599 -7.099 -9.478 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -0.359 -8.547 -9.245 1.00 0.00 H new ATOM 0 HG2 PRO A 9 2.172 -8.187 -10.838 1.00 0.00 H new ATOM 0 HG3 PRO A 9 1.724 -9.498 -9.764 1.00 0.00 H new ATOM 0 HD2 PRO A 9 1.508 -9.732 -12.469 1.00 0.00 H new ATOM 0 HD3 PRO A 9 0.403 -10.558 -11.388 1.00 0.00 H new ATOM 97 N ARG A 10 -0.531 -5.213 -10.986 1.00 0.00 N ATOM 98 CA ARG A 10 -0.199 -3.852 -11.390 1.00 0.00 C ATOM 99 C ARG A 10 0.994 -3.325 -10.598 1.00 0.00 C ATOM 100 O ARG A 10 1.055 -3.471 -9.376 1.00 0.00 O ATOM 101 CB ARG A 10 -1.404 -2.930 -11.191 1.00 0.00 C ATOM 102 CG ARG A 10 -2.349 -2.898 -12.382 1.00 0.00 C ATOM 103 CD ARG A 10 -3.449 -1.866 -12.191 1.00 0.00 C ATOM 104 NE ARG A 10 -3.013 -0.524 -12.570 1.00 0.00 N ATOM 105 CZ ARG A 10 -3.841 0.504 -12.715 1.00 0.00 C ATOM 106 NH1 ARG A 10 -5.142 0.346 -12.514 1.00 0.00 N ATOM 107 NH2 ARG A 10 -3.368 1.694 -13.062 1.00 0.00 N ATOM 0 H ARG A 10 -1.016 -5.281 -10.091 1.00 0.00 H new ATOM 0 HA ARG A 10 0.067 -3.868 -12.447 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -1.956 -3.253 -10.308 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -1.048 -1.919 -10.993 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -1.787 -2.670 -13.288 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -2.793 -3.883 -12.522 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -4.317 -2.147 -12.787 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -3.766 -1.863 -11.148 1.00 0.00 H new ATOM 0 HE ARG A 10 -2.018 -0.368 -12.732 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -5.510 -0.567 -12.247 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -5.775 1.138 -12.626 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -2.368 1.820 -13.218 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -4.005 2.483 -13.173 1.00 0.00 H new ATOM 121 N LEU A 11 1.940 -2.712 -11.300 1.00 0.00 N ATOM 122 CA LEU A 11 3.132 -2.163 -10.663 1.00 0.00 C ATOM 123 C LEU A 11 2.875 -0.748 -10.155 1.00 0.00 C ATOM 124 O LEU A 11 2.626 0.168 -10.940 1.00 0.00 O ATOM 125 CB LEU A 11 4.304 -2.159 -11.647 1.00 0.00 C ATOM 126 CG LEU A 11 5.688 -1.927 -11.040 1.00 0.00 C ATOM 127 CD1 LEU A 11 5.706 -0.640 -10.230 1.00 0.00 C ATOM 128 CD2 LEU A 11 6.097 -3.110 -10.175 1.00 0.00 C ATOM 0 H LEU A 11 1.905 -2.582 -12.311 1.00 0.00 H new ATOM 0 HA LEU A 11 3.383 -2.795 -9.811 1.00 0.00 H new ATOM 0 HB2 LEU A 11 4.315 -3.114 -12.172 1.00 0.00 H new ATOM 0 HB3 LEU A 11 4.123 -1.386 -12.394 1.00 0.00 H new ATOM 0 HG LEU A 11 6.408 -1.831 -11.852 1.00 0.00 H new ATOM 0 HD11 LEU A 11 6.699 -0.491 -9.805 1.00 0.00 H new ATOM 0 HD12 LEU A 11 5.458 0.201 -10.878 1.00 0.00 H new ATOM 0 HD13 LEU A 11 4.974 -0.706 -9.425 1.00 0.00 H new ATOM 0 HD21 LEU A 11 7.085 -2.927 -9.752 1.00 0.00 H new ATOM 0 HD22 LEU A 11 5.375 -3.238 -9.369 1.00 0.00 H new ATOM 0 HD23 LEU A 11 6.125 -4.014 -10.784 1.00 0.00 H new ATOM 140 N CYS A 12 2.940 -0.576 -8.840 1.00 0.00 N ATOM 141 CA CYS A 12 2.716 0.728 -8.227 1.00 0.00 C ATOM 142 C CYS A 12 4.038 1.379 -7.834 1.00 0.00 C ATOM 143 O CYS A 12 4.601 1.079 -6.781 1.00 0.00 O ATOM 144 CB CYS A 12 1.817 0.589 -6.997 1.00 0.00 C ATOM 145 SG CYS A 12 0.329 -0.399 -7.278 1.00 0.00 S ATOM 0 H CYS A 12 3.146 -1.323 -8.177 1.00 0.00 H new ATOM 0 HA CYS A 12 2.222 1.366 -8.960 1.00 0.00 H new ATOM 0 HB2 CYS A 12 2.393 0.138 -6.189 1.00 0.00 H new ATOM 0 HB3 CYS A 12 1.522 1.583 -6.662 1.00 0.00 H new ATOM 0 HG CYS A 12 -0.136 -0.817 -6.138 1.00 0.00 H new ATOM 151 N TYR A 13 4.530 2.269 -8.689 1.00 0.00 N ATOM 152 CA TYR A 13 5.789 2.959 -8.434 1.00 0.00 C ATOM 153 C TYR A 13 5.559 4.225 -7.614 1.00 0.00 C ATOM 154 O TYR A 13 5.073 5.233 -8.128 1.00 0.00 O ATOM 155 CB TYR A 13 6.478 3.311 -9.753 1.00 0.00 C ATOM 156 CG TYR A 13 7.987 3.316 -9.665 1.00 0.00 C ATOM 157 CD1 TYR A 13 8.718 2.151 -9.865 1.00 0.00 C ATOM 158 CD2 TYR A 13 8.683 4.485 -9.381 1.00 0.00 C ATOM 159 CE1 TYR A 13 10.098 2.151 -9.785 1.00 0.00 C ATOM 160 CE2 TYR A 13 10.062 4.494 -9.301 1.00 0.00 C ATOM 161 CZ TYR A 13 10.765 3.325 -9.503 1.00 0.00 C ATOM 162 OH TYR A 13 12.138 3.330 -9.422 1.00 0.00 O ATOM 0 H TYR A 13 4.076 2.529 -9.565 1.00 0.00 H new ATOM 0 HA TYR A 13 6.432 2.289 -7.863 1.00 0.00 H new ATOM 0 HB2 TYR A 13 6.169 2.597 -10.516 1.00 0.00 H new ATOM 0 HB3 TYR A 13 6.138 4.294 -10.080 1.00 0.00 H new ATOM 0 HD1 TYR A 13 8.199 1.230 -10.087 1.00 0.00 H new ATOM 0 HD2 TYR A 13 8.136 5.402 -9.220 1.00 0.00 H new ATOM 0 HE1 TYR A 13 10.651 1.237 -9.942 1.00 0.00 H new ATOM 0 HE2 TYR A 13 10.587 5.412 -9.081 1.00 0.00 H new ATOM 0 HH TYR A 13 12.450 4.236 -9.217 1.00 0.00 H new ATOM 172 N LEU A 14 5.914 4.165 -6.335 1.00 0.00 N ATOM 173 CA LEU A 14 5.748 5.306 -5.441 1.00 0.00 C ATOM 174 C LEU A 14 6.959 6.231 -5.508 1.00 0.00 C ATOM 175 O LEU A 14 8.095 5.775 -5.642 1.00 0.00 O ATOM 176 CB LEU A 14 5.538 4.826 -4.003 1.00 0.00 C ATOM 177 CG LEU A 14 4.096 4.509 -3.606 1.00 0.00 C ATOM 178 CD1 LEU A 14 3.404 5.752 -3.069 1.00 0.00 C ATOM 179 CD2 LEU A 14 3.329 3.940 -4.791 1.00 0.00 C ATOM 0 H LEU A 14 6.318 3.339 -5.894 1.00 0.00 H new ATOM 0 HA LEU A 14 4.869 5.864 -5.764 1.00 0.00 H new ATOM 0 HB2 LEU A 14 6.142 3.932 -3.848 1.00 0.00 H new ATOM 0 HB3 LEU A 14 5.921 5.590 -3.326 1.00 0.00 H new ATOM 0 HG LEU A 14 4.114 3.758 -2.816 1.00 0.00 H new ATOM 0 HD11 LEU A 14 2.379 5.507 -2.792 1.00 0.00 H new ATOM 0 HD12 LEU A 14 3.940 6.117 -2.192 1.00 0.00 H new ATOM 0 HD13 LEU A 14 3.397 6.525 -3.837 1.00 0.00 H new ATOM 0 HD21 LEU A 14 2.305 3.720 -4.490 1.00 0.00 H new ATOM 0 HD22 LEU A 14 3.320 4.668 -5.602 1.00 0.00 H new ATOM 0 HD23 LEU A 14 3.812 3.024 -5.131 1.00 0.00 H new ATOM 191 N VAL A 15 6.709 7.533 -5.413 1.00 0.00 N ATOM 192 CA VAL A 15 7.779 8.522 -5.460 1.00 0.00 C ATOM 193 C VAL A 15 7.594 9.584 -4.382 1.00 0.00 C ATOM 194 O VAL A 15 6.664 10.389 -4.440 1.00 0.00 O ATOM 195 CB VAL A 15 7.847 9.210 -6.836 1.00 0.00 C ATOM 196 CG1 VAL A 15 8.730 10.448 -6.771 1.00 0.00 C ATOM 197 CG2 VAL A 15 8.353 8.239 -7.892 1.00 0.00 C ATOM 0 H VAL A 15 5.775 7.927 -5.303 1.00 0.00 H new ATOM 0 HA VAL A 15 8.712 7.987 -5.283 1.00 0.00 H new ATOM 0 HB VAL A 15 6.842 9.524 -7.116 1.00 0.00 H new ATOM 0 HG11 VAL A 15 8.766 10.921 -7.752 1.00 0.00 H new ATOM 0 HG12 VAL A 15 8.320 11.150 -6.045 1.00 0.00 H new ATOM 0 HG13 VAL A 15 9.737 10.161 -6.469 1.00 0.00 H new ATOM 0 HG21 VAL A 15 8.395 8.742 -8.858 1.00 0.00 H new ATOM 0 HG22 VAL A 15 9.350 7.892 -7.620 1.00 0.00 H new ATOM 0 HG23 VAL A 15 7.677 7.386 -7.956 1.00 0.00 H new ATOM 207 N LYS A 16 8.485 9.581 -3.396 1.00 0.00 N ATOM 208 CA LYS A 16 8.422 10.544 -2.304 1.00 0.00 C ATOM 209 C LYS A 16 8.072 11.935 -2.824 1.00 0.00 C ATOM 210 O LYS A 16 8.699 12.433 -3.759 1.00 0.00 O ATOM 211 CB LYS A 16 9.758 10.588 -1.558 1.00 0.00 C ATOM 212 CG LYS A 16 9.843 9.605 -0.404 1.00 0.00 C ATOM 213 CD LYS A 16 10.895 10.024 0.610 1.00 0.00 C ATOM 214 CE LYS A 16 10.917 9.089 1.809 1.00 0.00 C ATOM 215 NZ LYS A 16 11.939 9.498 2.812 1.00 0.00 N ATOM 0 H LYS A 16 9.260 8.921 -3.331 1.00 0.00 H new ATOM 0 HA LYS A 16 7.639 10.225 -1.616 1.00 0.00 H new ATOM 0 HB2 LYS A 16 10.564 10.380 -2.261 1.00 0.00 H new ATOM 0 HB3 LYS A 16 9.919 11.597 -1.178 1.00 0.00 H new ATOM 0 HG2 LYS A 16 8.872 9.533 0.086 1.00 0.00 H new ATOM 0 HG3 LYS A 16 10.081 8.613 -0.787 1.00 0.00 H new ATOM 0 HD2 LYS A 16 11.876 10.032 0.136 1.00 0.00 H new ATOM 0 HD3 LYS A 16 10.694 11.042 0.945 1.00 0.00 H new ATOM 0 HE2 LYS A 16 9.933 9.076 2.278 1.00 0.00 H new ATOM 0 HE3 LYS A 16 11.124 8.073 1.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 11.923 8.836 3.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 12.881 9.486 2.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 11.728 10.458 3.151 1.00 0.00 H new ATOM 229 N GLU A 17 7.069 12.556 -2.212 1.00 0.00 N ATOM 230 CA GLU A 17 6.638 13.889 -2.614 1.00 0.00 C ATOM 231 C GLU A 17 6.494 14.804 -1.401 1.00 0.00 C ATOM 232 O GLU A 17 7.118 15.861 -1.330 1.00 0.00 O ATOM 233 CB GLU A 17 5.309 13.813 -3.369 1.00 0.00 C ATOM 234 CG GLU A 17 5.079 14.980 -4.315 1.00 0.00 C ATOM 235 CD GLU A 17 5.199 16.324 -3.623 1.00 0.00 C ATOM 236 OE1 GLU A 17 6.337 16.820 -3.486 1.00 0.00 O ATOM 237 OE2 GLU A 17 4.157 16.879 -3.217 1.00 0.00 O ATOM 0 H GLU A 17 6.540 12.157 -1.436 1.00 0.00 H new ATOM 0 HA GLU A 17 7.400 14.305 -3.273 1.00 0.00 H new ATOM 0 HB2 GLU A 17 5.276 12.884 -3.937 1.00 0.00 H new ATOM 0 HB3 GLU A 17 4.493 13.774 -2.648 1.00 0.00 H new ATOM 0 HG2 GLU A 17 5.801 14.930 -5.130 1.00 0.00 H new ATOM 0 HG3 GLU A 17 4.088 14.892 -4.760 1.00 0.00 H new ATOM 244 N GLY A 18 5.665 14.387 -0.448 1.00 0.00 N ATOM 245 CA GLY A 18 5.453 15.180 0.749 1.00 0.00 C ATOM 246 C GLY A 18 5.557 14.355 2.017 1.00 0.00 C ATOM 247 O GLY A 18 4.781 13.424 2.224 1.00 0.00 O ATOM 0 H GLY A 18 5.137 13.515 -0.484 1.00 0.00 H new ATOM 0 HA2 GLY A 18 6.187 15.986 0.782 1.00 0.00 H new ATOM 0 HA3 GLY A 18 4.469 15.647 0.702 1.00 0.00 H new ATOM 251 N GLY A 19 6.520 14.697 2.867 1.00 0.00 N ATOM 252 CA GLY A 19 6.706 13.970 4.109 1.00 0.00 C ATOM 253 C GLY A 19 6.680 12.468 3.911 1.00 0.00 C ATOM 254 O GLY A 19 7.711 11.853 3.636 1.00 0.00 O ATOM 0 H GLY A 19 7.175 15.465 2.718 1.00 0.00 H new ATOM 0 HA2 GLY A 19 7.658 14.258 4.556 1.00 0.00 H new ATOM 0 HA3 GLY A 19 5.924 14.254 4.813 1.00 0.00 H new ATOM 258 N SER A 20 5.500 11.874 4.052 1.00 0.00 N ATOM 259 CA SER A 20 5.345 10.433 3.892 1.00 0.00 C ATOM 260 C SER A 20 4.441 10.111 2.706 1.00 0.00 C ATOM 261 O SER A 20 3.608 10.926 2.307 1.00 0.00 O ATOM 262 CB SER A 20 4.769 9.815 5.168 1.00 0.00 C ATOM 263 OG SER A 20 4.828 8.400 5.122 1.00 0.00 O ATOM 0 H SER A 20 4.637 12.368 4.277 1.00 0.00 H new ATOM 0 HA SER A 20 6.330 10.007 3.702 1.00 0.00 H new ATOM 0 HB2 SER A 20 5.324 10.177 6.033 1.00 0.00 H new ATOM 0 HB3 SER A 20 3.735 10.135 5.296 1.00 0.00 H new ATOM 0 HG SER A 20 4.456 8.030 5.950 1.00 0.00 H new ATOM 269 N TYR A 21 4.612 8.919 2.146 1.00 0.00 N ATOM 270 CA TYR A 21 3.815 8.490 1.003 1.00 0.00 C ATOM 271 C TYR A 21 2.327 8.700 1.268 1.00 0.00 C ATOM 272 O TYR A 21 1.930 9.113 2.357 1.00 0.00 O ATOM 273 CB TYR A 21 4.086 7.017 0.690 1.00 0.00 C ATOM 274 CG TYR A 21 5.547 6.707 0.457 1.00 0.00 C ATOM 275 CD1 TYR A 21 6.100 6.786 -0.816 1.00 0.00 C ATOM 276 CD2 TYR A 21 6.375 6.334 1.508 1.00 0.00 C ATOM 277 CE1 TYR A 21 7.434 6.502 -1.034 1.00 0.00 C ATOM 278 CE2 TYR A 21 7.710 6.051 1.300 1.00 0.00 C ATOM 279 CZ TYR A 21 8.235 6.136 0.027 1.00 0.00 C ATOM 280 OH TYR A 21 9.565 5.853 -0.184 1.00 0.00 O ATOM 0 H TYR A 21 5.296 8.232 2.465 1.00 0.00 H new ATOM 0 HA TYR A 21 4.102 9.096 0.144 1.00 0.00 H new ATOM 0 HB2 TYR A 21 3.721 6.406 1.515 1.00 0.00 H new ATOM 0 HB3 TYR A 21 3.517 6.731 -0.195 1.00 0.00 H new ATOM 0 HD1 TYR A 21 5.476 7.074 -1.649 1.00 0.00 H new ATOM 0 HD2 TYR A 21 5.967 6.264 2.506 1.00 0.00 H new ATOM 0 HE1 TYR A 21 7.847 6.566 -2.030 1.00 0.00 H new ATOM 0 HE2 TYR A 21 8.340 5.765 2.129 1.00 0.00 H new ATOM 0 HH TYR A 21 9.987 5.613 0.667 1.00 0.00 H new ATOM 290 N GLY A 22 1.507 8.410 0.262 1.00 0.00 N ATOM 291 CA GLY A 22 0.072 8.572 0.405 1.00 0.00 C ATOM 292 C GLY A 22 -0.619 7.286 0.812 1.00 0.00 C ATOM 293 O GLY A 22 -1.840 7.168 0.707 1.00 0.00 O ATOM 0 H GLY A 22 1.811 8.066 -0.649 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -0.131 9.341 1.150 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -0.347 8.923 -0.538 1.00 0.00 H new ATOM 297 N PHE A 23 0.163 6.317 1.277 1.00 0.00 N ATOM 298 CA PHE A 23 -0.381 5.032 1.699 1.00 0.00 C ATOM 299 C PHE A 23 0.003 4.727 3.144 1.00 0.00 C ATOM 300 O PHE A 23 0.864 5.391 3.722 1.00 0.00 O ATOM 301 CB PHE A 23 0.120 3.916 0.780 1.00 0.00 C ATOM 302 CG PHE A 23 1.591 3.645 0.913 1.00 0.00 C ATOM 303 CD1 PHE A 23 2.074 2.865 1.951 1.00 0.00 C ATOM 304 CD2 PHE A 23 2.491 4.171 0.000 1.00 0.00 C ATOM 305 CE1 PHE A 23 3.428 2.613 2.076 1.00 0.00 C ATOM 306 CE2 PHE A 23 3.845 3.922 0.119 1.00 0.00 C ATOM 307 CZ PHE A 23 4.314 3.144 1.159 1.00 0.00 C ATOM 0 H PHE A 23 1.175 6.398 1.371 1.00 0.00 H new ATOM 0 HA PHE A 23 -1.468 5.087 1.634 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -0.431 3.001 0.999 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -0.100 4.181 -0.254 1.00 0.00 H new ATOM 0 HD1 PHE A 23 1.385 2.449 2.671 1.00 0.00 H new ATOM 0 HD2 PHE A 23 2.130 4.782 -0.814 1.00 0.00 H new ATOM 0 HE1 PHE A 23 3.792 2.002 2.889 1.00 0.00 H new ATOM 0 HE2 PHE A 23 4.536 4.336 -0.601 1.00 0.00 H new ATOM 0 HZ PHE A 23 5.372 2.951 1.255 1.00 0.00 H new ATOM 317 N SER A 24 -0.642 3.718 3.721 1.00 0.00 N ATOM 318 CA SER A 24 -0.372 3.327 5.100 1.00 0.00 C ATOM 319 C SER A 24 -0.399 1.809 5.249 1.00 0.00 C ATOM 320 O SER A 24 -1.273 1.135 4.703 1.00 0.00 O ATOM 321 CB SER A 24 -1.397 3.962 6.042 1.00 0.00 C ATOM 322 OG SER A 24 -1.356 5.376 5.962 1.00 0.00 O ATOM 0 H SER A 24 -1.355 3.157 3.255 1.00 0.00 H new ATOM 0 HA SER A 24 0.624 3.683 5.365 1.00 0.00 H new ATOM 0 HB2 SER A 24 -2.397 3.609 5.788 1.00 0.00 H new ATOM 0 HB3 SER A 24 -1.198 3.647 7.066 1.00 0.00 H new ATOM 0 HG SER A 24 -2.021 5.758 6.572 1.00 0.00 H new ATOM 328 N LEU A 25 0.565 1.277 5.992 1.00 0.00 N ATOM 329 CA LEU A 25 0.654 -0.162 6.214 1.00 0.00 C ATOM 330 C LEU A 25 0.226 -0.521 7.634 1.00 0.00 C ATOM 331 O LEU A 25 0.430 0.252 8.570 1.00 0.00 O ATOM 332 CB LEU A 25 2.082 -0.650 5.962 1.00 0.00 C ATOM 333 CG LEU A 25 2.669 -0.325 4.588 1.00 0.00 C ATOM 334 CD1 LEU A 25 4.188 -0.296 4.649 1.00 0.00 C ATOM 335 CD2 LEU A 25 2.195 -1.336 3.553 1.00 0.00 C ATOM 0 H LEU A 25 1.296 1.820 6.451 1.00 0.00 H new ATOM 0 HA LEU A 25 -0.021 -0.655 5.514 1.00 0.00 H new ATOM 0 HB2 LEU A 25 2.732 -0.219 6.724 1.00 0.00 H new ATOM 0 HB3 LEU A 25 2.105 -1.731 6.098 1.00 0.00 H new ATOM 0 HG LEU A 25 2.319 0.663 4.290 1.00 0.00 H new ATOM 0 HD11 LEU A 25 4.587 -0.063 3.662 1.00 0.00 H new ATOM 0 HD12 LEU A 25 4.509 0.466 5.359 1.00 0.00 H new ATOM 0 HD13 LEU A 25 4.558 -1.270 4.970 1.00 0.00 H new ATOM 0 HD21 LEU A 25 2.622 -1.089 2.581 1.00 0.00 H new ATOM 0 HD22 LEU A 25 2.515 -2.335 3.847 1.00 0.00 H new ATOM 0 HD23 LEU A 25 1.107 -1.308 3.489 1.00 0.00 H new ATOM 347 N LYS A 26 -0.368 -1.700 7.786 1.00 0.00 N ATOM 348 CA LYS A 26 -0.822 -2.165 9.091 1.00 0.00 C ATOM 349 C LYS A 26 -0.817 -3.689 9.158 1.00 0.00 C ATOM 350 O LYS A 26 -1.073 -4.366 8.161 1.00 0.00 O ATOM 351 CB LYS A 26 -2.229 -1.636 9.382 1.00 0.00 C ATOM 352 CG LYS A 26 -3.243 -1.982 8.306 1.00 0.00 C ATOM 353 CD LYS A 26 -4.652 -1.594 8.723 1.00 0.00 C ATOM 354 CE LYS A 26 -5.334 -2.715 9.493 1.00 0.00 C ATOM 355 NZ LYS A 26 -6.552 -2.237 10.204 1.00 0.00 N ATOM 0 H LYS A 26 -0.546 -2.351 7.021 1.00 0.00 H new ATOM 0 HA LYS A 26 -0.133 -1.784 9.845 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -2.570 -2.041 10.335 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -2.185 -0.553 9.493 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -2.982 -1.469 7.380 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -3.205 -3.052 8.099 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -4.616 -0.697 9.341 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -5.240 -1.349 7.838 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -5.606 -3.516 8.805 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -4.635 -3.138 10.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -6.988 -3.030 10.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -6.290 -1.491 10.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -7.230 -1.856 9.513 1.00 0.00 H new ATOM 369 N THR A 27 -0.525 -4.224 10.340 1.00 0.00 N ATOM 370 CA THR A 27 -0.487 -5.668 10.537 1.00 0.00 C ATOM 371 C THR A 27 -1.798 -6.177 11.124 1.00 0.00 C ATOM 372 O THR A 27 -2.258 -5.690 12.157 1.00 0.00 O ATOM 373 CB THR A 27 0.672 -6.078 11.464 1.00 0.00 C ATOM 374 OG1 THR A 27 0.556 -5.401 12.721 1.00 0.00 O ATOM 375 CG2 THR A 27 2.015 -5.751 10.829 1.00 0.00 C ATOM 0 H THR A 27 -0.311 -3.679 11.175 1.00 0.00 H new ATOM 0 HA THR A 27 -0.333 -6.117 9.556 1.00 0.00 H new ATOM 0 HB THR A 27 0.616 -7.155 11.624 1.00 0.00 H new ATOM 0 HG1 THR A 27 -0.379 -5.149 12.872 1.00 0.00 H new ATOM 0 HG21 THR A 27 2.818 -6.050 11.503 1.00 0.00 H new ATOM 0 HG22 THR A 27 2.113 -6.290 9.886 1.00 0.00 H new ATOM 0 HG23 THR A 27 2.078 -4.679 10.642 1.00 0.00 H new ATOM 383 N VAL A 28 -2.396 -7.162 10.460 1.00 0.00 N ATOM 384 CA VAL A 28 -3.654 -7.739 10.918 1.00 0.00 C ATOM 385 C VAL A 28 -3.425 -9.079 11.608 1.00 0.00 C ATOM 386 O VAL A 28 -2.640 -9.902 11.139 1.00 0.00 O ATOM 387 CB VAL A 28 -4.639 -7.937 9.750 1.00 0.00 C ATOM 388 CG1 VAL A 28 -6.003 -8.367 10.268 1.00 0.00 C ATOM 389 CG2 VAL A 28 -4.750 -6.663 8.926 1.00 0.00 C ATOM 0 H VAL A 28 -2.029 -7.577 9.603 1.00 0.00 H new ATOM 0 HA VAL A 28 -4.084 -7.035 11.631 1.00 0.00 H new ATOM 0 HB VAL A 28 -4.257 -8.728 9.105 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -6.685 -8.502 9.429 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -5.906 -9.307 10.811 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -6.397 -7.601 10.936 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -5.450 -6.820 8.105 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -5.109 -5.851 9.558 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -3.771 -6.404 8.523 1.00 0.00 H new ATOM 399 N GLN A 29 -4.117 -9.290 12.723 1.00 0.00 N ATOM 400 CA GLN A 29 -3.988 -10.531 13.478 1.00 0.00 C ATOM 401 C GLN A 29 -4.504 -11.716 12.669 1.00 0.00 C ATOM 402 O GLN A 29 -5.564 -11.643 12.049 1.00 0.00 O ATOM 403 CB GLN A 29 -4.751 -10.430 14.800 1.00 0.00 C ATOM 404 CG GLN A 29 -6.260 -10.520 14.640 1.00 0.00 C ATOM 405 CD GLN A 29 -7.008 -9.981 15.843 1.00 0.00 C ATOM 406 OE1 GLN A 29 -6.481 -9.955 16.955 1.00 0.00 O ATOM 407 NE2 GLN A 29 -8.243 -9.545 15.625 1.00 0.00 N ATOM 0 H GLN A 29 -4.772 -8.618 13.123 1.00 0.00 H new ATOM 0 HA GLN A 29 -2.930 -10.691 13.688 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -4.416 -11.226 15.465 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -4.501 -9.485 15.283 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -6.561 -9.965 13.751 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -6.543 -11.560 14.477 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -8.640 -9.586 14.686 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -8.795 -9.169 16.396 1.00 0.00 H new ATOM 416 N GLY A 30 -3.745 -12.808 12.679 1.00 0.00 N ATOM 417 CA GLY A 30 -4.142 -13.994 11.942 1.00 0.00 C ATOM 418 C GLY A 30 -3.627 -13.990 10.516 1.00 0.00 C ATOM 419 O GLY A 30 -3.178 -15.017 10.007 1.00 0.00 O ATOM 0 H GLY A 30 -2.863 -12.892 13.184 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -3.770 -14.880 12.457 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -5.230 -14.065 11.932 1.00 0.00 H new ATOM 423 N LYS A 31 -3.692 -12.831 9.869 1.00 0.00 N ATOM 424 CA LYS A 31 -3.229 -12.696 8.493 1.00 0.00 C ATOM 425 C LYS A 31 -1.709 -12.584 8.439 1.00 0.00 C ATOM 426 O LYS A 31 -1.084 -12.035 9.346 1.00 0.00 O ATOM 427 CB LYS A 31 -3.865 -11.469 7.837 1.00 0.00 C ATOM 428 CG LYS A 31 -5.306 -11.686 7.410 1.00 0.00 C ATOM 429 CD LYS A 31 -6.037 -10.367 7.223 1.00 0.00 C ATOM 430 CE LYS A 31 -7.327 -10.550 6.439 1.00 0.00 C ATOM 431 NZ LYS A 31 -8.374 -11.237 7.245 1.00 0.00 N ATOM 0 H LYS A 31 -4.061 -11.971 10.276 1.00 0.00 H new ATOM 0 HA LYS A 31 -3.530 -13.589 7.946 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -3.824 -10.632 8.534 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -3.275 -11.187 6.965 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -5.329 -12.251 6.478 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -5.822 -12.286 8.160 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -6.261 -9.933 8.197 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -5.390 -9.662 6.701 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -7.697 -9.577 6.117 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -7.125 -11.128 5.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -9.237 -11.343 6.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -8.031 -12.176 7.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -8.586 -10.673 8.093 1.00 0.00 H new ATOM 445 N LYS A 32 -1.119 -13.107 7.369 1.00 0.00 N ATOM 446 CA LYS A 32 0.328 -13.064 7.194 1.00 0.00 C ATOM 447 C LYS A 32 0.713 -12.085 6.090 1.00 0.00 C ATOM 448 O LYS A 32 0.287 -12.227 4.945 1.00 0.00 O ATOM 449 CB LYS A 32 0.865 -14.458 6.865 1.00 0.00 C ATOM 450 CG LYS A 32 1.240 -15.271 8.092 1.00 0.00 C ATOM 451 CD LYS A 32 2.686 -15.034 8.496 1.00 0.00 C ATOM 452 CE LYS A 32 2.991 -15.641 9.857 1.00 0.00 C ATOM 453 NZ LYS A 32 2.244 -14.957 10.949 1.00 0.00 N ATOM 0 H LYS A 32 -1.622 -13.566 6.609 1.00 0.00 H new ATOM 0 HA LYS A 32 0.772 -12.723 8.129 1.00 0.00 H new ATOM 0 HB2 LYS A 32 0.113 -15.003 6.295 1.00 0.00 H new ATOM 0 HB3 LYS A 32 1.741 -14.359 6.224 1.00 0.00 H new ATOM 0 HG2 LYS A 32 0.582 -15.007 8.920 1.00 0.00 H new ATOM 0 HG3 LYS A 32 1.087 -16.331 7.888 1.00 0.00 H new ATOM 0 HD2 LYS A 32 3.350 -15.466 7.747 1.00 0.00 H new ATOM 0 HD3 LYS A 32 2.887 -13.963 8.521 1.00 0.00 H new ATOM 0 HE2 LYS A 32 2.733 -16.700 9.848 1.00 0.00 H new ATOM 0 HE3 LYS A 32 4.061 -15.575 10.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 2.688 -15.176 11.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 2.263 -13.929 10.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 1.258 -15.288 10.955 1.00 0.00 H new ATOM 467 N GLY A 33 1.525 -11.092 6.441 1.00 0.00 N ATOM 468 CA GLY A 33 1.955 -10.106 5.468 1.00 0.00 C ATOM 469 C GLY A 33 1.278 -8.764 5.664 1.00 0.00 C ATOM 470 O GLY A 33 0.213 -8.681 6.275 1.00 0.00 O ATOM 0 H GLY A 33 1.892 -10.953 7.382 1.00 0.00 H new ATOM 0 HA2 GLY A 33 3.035 -9.978 5.538 1.00 0.00 H new ATOM 0 HA3 GLY A 33 1.742 -10.474 4.464 1.00 0.00 H new ATOM 474 N VAL A 34 1.897 -7.709 5.144 1.00 0.00 N ATOM 475 CA VAL A 34 1.348 -6.363 5.266 1.00 0.00 C ATOM 476 C VAL A 34 0.726 -5.904 3.952 1.00 0.00 C ATOM 477 O VAL A 34 1.021 -6.449 2.889 1.00 0.00 O ATOM 478 CB VAL A 34 2.429 -5.352 5.691 1.00 0.00 C ATOM 479 CG1 VAL A 34 2.588 -5.344 7.203 1.00 0.00 C ATOM 480 CG2 VAL A 34 3.752 -5.669 5.009 1.00 0.00 C ATOM 0 H VAL A 34 2.779 -7.760 4.634 1.00 0.00 H new ATOM 0 HA VAL A 34 0.577 -6.403 6.036 1.00 0.00 H new ATOM 0 HB VAL A 34 2.114 -4.357 5.378 1.00 0.00 H new ATOM 0 HG11 VAL A 34 3.356 -4.624 7.484 1.00 0.00 H new ATOM 0 HG12 VAL A 34 1.642 -5.065 7.667 1.00 0.00 H new ATOM 0 HG13 VAL A 34 2.880 -6.337 7.543 1.00 0.00 H new ATOM 0 HG21 VAL A 34 4.505 -4.945 5.321 1.00 0.00 H new ATOM 0 HG22 VAL A 34 4.075 -6.672 5.290 1.00 0.00 H new ATOM 0 HG23 VAL A 34 3.625 -5.618 3.928 1.00 0.00 H new ATOM 490 N TYR A 35 -0.137 -4.897 4.033 1.00 0.00 N ATOM 491 CA TYR A 35 -0.803 -4.364 2.851 1.00 0.00 C ATOM 492 C TYR A 35 -1.264 -2.928 3.086 1.00 0.00 C ATOM 493 O TYR A 35 -1.187 -2.415 4.201 1.00 0.00 O ATOM 494 CB TYR A 35 -1.999 -5.240 2.475 1.00 0.00 C ATOM 495 CG TYR A 35 -3.030 -5.361 3.574 1.00 0.00 C ATOM 496 CD1 TYR A 35 -3.826 -4.279 3.930 1.00 0.00 C ATOM 497 CD2 TYR A 35 -3.210 -6.558 4.257 1.00 0.00 C ATOM 498 CE1 TYR A 35 -4.768 -4.385 4.934 1.00 0.00 C ATOM 499 CE2 TYR A 35 -4.151 -6.674 5.261 1.00 0.00 C ATOM 500 CZ TYR A 35 -4.927 -5.584 5.597 1.00 0.00 C ATOM 501 OH TYR A 35 -5.866 -5.694 6.596 1.00 0.00 O ATOM 0 H TYR A 35 -0.392 -4.434 4.905 1.00 0.00 H new ATOM 0 HA TYR A 35 -0.087 -4.367 2.030 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -2.475 -4.828 1.585 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -1.641 -6.236 2.213 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -3.706 -3.339 3.412 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -2.603 -7.413 3.998 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -5.377 -3.533 5.199 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -4.279 -7.612 5.780 1.00 0.00 H new ATOM 0 HH TYR A 35 -6.517 -6.386 6.358 1.00 0.00 H new ATOM 511 N MET A 36 -1.743 -2.287 2.025 1.00 0.00 N ATOM 512 CA MET A 36 -2.219 -0.911 2.115 1.00 0.00 C ATOM 513 C MET A 36 -3.631 -0.861 2.689 1.00 0.00 C ATOM 514 O MET A 36 -4.510 -1.617 2.273 1.00 0.00 O ATOM 515 CB MET A 36 -2.192 -0.249 0.736 1.00 0.00 C ATOM 516 CG MET A 36 -0.917 -0.522 -0.045 1.00 0.00 C ATOM 517 SD MET A 36 0.506 0.366 0.617 1.00 0.00 S ATOM 518 CE MET A 36 1.759 -0.054 -0.593 1.00 0.00 C ATOM 0 H MET A 36 -1.812 -2.698 1.094 1.00 0.00 H new ATOM 0 HA MET A 36 -1.554 -0.365 2.785 1.00 0.00 H new ATOM 0 HB2 MET A 36 -3.046 -0.601 0.157 1.00 0.00 H new ATOM 0 HB3 MET A 36 -2.311 0.828 0.857 1.00 0.00 H new ATOM 0 HG2 MET A 36 -0.710 -1.592 -0.033 1.00 0.00 H new ATOM 0 HG3 MET A 36 -1.066 -0.238 -1.087 1.00 0.00 H new ATOM 0 HE1 MET A 36 2.564 -0.605 -0.107 1.00 0.00 H new ATOM 0 HE2 MET A 36 1.317 -0.671 -1.375 1.00 0.00 H new ATOM 0 HE3 MET A 36 2.159 0.859 -1.034 1.00 0.00 H new ATOM 528 N THR A 37 -3.844 0.035 3.648 1.00 0.00 N ATOM 529 CA THR A 37 -5.149 0.183 4.280 1.00 0.00 C ATOM 530 C THR A 37 -5.700 1.591 4.081 1.00 0.00 C ATOM 531 O THR A 37 -6.881 1.769 3.782 1.00 0.00 O ATOM 532 CB THR A 37 -5.080 -0.120 5.789 1.00 0.00 C ATOM 533 OG1 THR A 37 -6.398 -0.117 6.349 1.00 0.00 O ATOM 534 CG2 THR A 37 -4.215 0.904 6.507 1.00 0.00 C ATOM 0 H THR A 37 -3.129 0.669 4.004 1.00 0.00 H new ATOM 0 HA THR A 37 -5.815 -0.536 3.802 1.00 0.00 H new ATOM 0 HB THR A 37 -4.632 -1.105 5.920 1.00 0.00 H new ATOM 0 HG1 THR A 37 -6.412 0.450 7.148 1.00 0.00 H new ATOM 0 HG21 THR A 37 -4.181 0.670 7.571 1.00 0.00 H new ATOM 0 HG22 THR A 37 -3.205 0.878 6.097 1.00 0.00 H new ATOM 0 HG23 THR A 37 -4.638 1.899 6.368 1.00 0.00 H new ATOM 542 N ASP A 38 -4.838 2.587 4.247 1.00 0.00 N ATOM 543 CA ASP A 38 -5.239 3.980 4.083 1.00 0.00 C ATOM 544 C ASP A 38 -4.561 4.601 2.865 1.00 0.00 C ATOM 545 O ASP A 38 -3.342 4.778 2.844 1.00 0.00 O ATOM 546 CB ASP A 38 -4.894 4.783 5.338 1.00 0.00 C ATOM 547 CG ASP A 38 -5.634 6.105 5.401 1.00 0.00 C ATOM 548 OD1 ASP A 38 -6.859 6.110 5.161 1.00 0.00 O ATOM 549 OD2 ASP A 38 -4.988 7.134 5.690 1.00 0.00 O ATOM 0 H ASP A 38 -3.857 2.457 4.495 1.00 0.00 H new ATOM 0 HA ASP A 38 -6.318 4.006 3.929 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -5.136 4.192 6.222 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -3.820 4.969 5.363 1.00 0.00 H new ATOM 554 N ILE A 39 -5.358 4.929 1.854 1.00 0.00 N ATOM 555 CA ILE A 39 -4.835 5.530 0.634 1.00 0.00 C ATOM 556 C ILE A 39 -5.235 6.998 0.528 1.00 0.00 C ATOM 557 O ILE A 39 -6.293 7.328 -0.008 1.00 0.00 O ATOM 558 CB ILE A 39 -5.330 4.783 -0.619 1.00 0.00 C ATOM 559 CG1 ILE A 39 -4.997 3.293 -0.516 1.00 0.00 C ATOM 560 CG2 ILE A 39 -4.714 5.384 -1.873 1.00 0.00 C ATOM 561 CD1 ILE A 39 -3.527 2.989 -0.698 1.00 0.00 C ATOM 0 H ILE A 39 -6.368 4.789 1.856 1.00 0.00 H new ATOM 0 HA ILE A 39 -3.749 5.455 0.687 1.00 0.00 H new ATOM 0 HB ILE A 39 -6.413 4.890 -0.683 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -5.318 2.924 0.458 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -5.568 2.748 -1.268 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -5.074 4.845 -2.749 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -4.998 6.434 -1.951 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -3.628 5.305 -1.819 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -3.364 1.915 -0.612 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -3.205 3.328 -1.683 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -2.951 3.505 0.070 1.00 0.00 H new ATOM 573 N THR A 40 -4.381 7.877 1.043 1.00 0.00 N ATOM 574 CA THR A 40 -4.644 9.310 1.006 1.00 0.00 C ATOM 575 C THR A 40 -5.087 9.752 -0.384 1.00 0.00 C ATOM 576 O THR A 40 -4.552 9.312 -1.402 1.00 0.00 O ATOM 577 CB THR A 40 -3.400 10.120 1.418 1.00 0.00 C ATOM 578 OG1 THR A 40 -3.024 9.792 2.760 1.00 0.00 O ATOM 579 CG2 THR A 40 -3.668 11.614 1.312 1.00 0.00 C ATOM 0 H THR A 40 -3.501 7.621 1.491 1.00 0.00 H new ATOM 0 HA THR A 40 -5.446 9.503 1.718 1.00 0.00 H new ATOM 0 HB THR A 40 -2.586 9.864 0.740 1.00 0.00 H new ATOM 0 HG1 THR A 40 -2.232 10.310 3.014 1.00 0.00 H new ATOM 0 HG21 THR A 40 -2.776 12.166 1.608 1.00 0.00 H new ATOM 0 HG22 THR A 40 -3.926 11.865 0.283 1.00 0.00 H new ATOM 0 HG23 THR A 40 -4.495 11.883 1.969 1.00 0.00 H new ATOM 587 N PRO A 41 -6.088 10.644 -0.430 1.00 0.00 N ATOM 588 CA PRO A 41 -6.624 11.166 -1.691 1.00 0.00 C ATOM 589 C PRO A 41 -5.639 12.087 -2.403 1.00 0.00 C ATOM 590 O PRO A 41 -4.821 12.749 -1.763 1.00 0.00 O ATOM 591 CB PRO A 41 -7.865 11.948 -1.251 1.00 0.00 C ATOM 592 CG PRO A 41 -7.590 12.331 0.162 1.00 0.00 C ATOM 593 CD PRO A 41 -6.772 11.212 0.743 1.00 0.00 C ATOM 0 HA PRO A 41 -6.835 10.370 -2.405 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -8.021 12.827 -1.876 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -8.765 11.338 -1.328 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -7.049 13.276 0.212 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -8.518 12.465 0.718 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -6.061 11.577 1.485 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -7.399 10.472 1.240 1.00 0.00 H new ATOM 601 N GLN A 42 -5.724 12.125 -3.728 1.00 0.00 N ATOM 602 CA GLN A 42 -4.839 12.966 -4.526 1.00 0.00 C ATOM 603 C GLN A 42 -3.453 13.052 -3.894 1.00 0.00 C ATOM 604 O GLN A 42 -2.860 14.127 -3.818 1.00 0.00 O ATOM 605 CB GLN A 42 -5.431 14.368 -4.677 1.00 0.00 C ATOM 606 CG GLN A 42 -5.517 15.136 -3.368 1.00 0.00 C ATOM 607 CD GLN A 42 -6.823 14.898 -2.636 1.00 0.00 C ATOM 608 OE1 GLN A 42 -7.834 14.547 -3.245 1.00 0.00 O ATOM 609 NE2 GLN A 42 -6.809 15.087 -1.322 1.00 0.00 N ATOM 0 H GLN A 42 -6.396 11.584 -4.272 1.00 0.00 H new ATOM 0 HA GLN A 42 -4.741 12.513 -5.512 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -4.824 14.936 -5.382 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -6.429 14.288 -5.108 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -4.686 14.845 -2.725 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -5.406 16.202 -3.569 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -5.949 15.378 -0.858 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -7.659 14.941 -0.777 1.00 0.00 H new ATOM 618 N GLY A 43 -2.943 11.911 -3.440 1.00 0.00 N ATOM 619 CA GLY A 43 -1.632 11.880 -2.819 1.00 0.00 C ATOM 620 C GLY A 43 -0.622 11.100 -3.637 1.00 0.00 C ATOM 621 O GLY A 43 -0.862 10.793 -4.805 1.00 0.00 O ATOM 0 H GLY A 43 -3.414 11.008 -3.491 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -1.274 12.900 -2.682 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -1.713 11.435 -1.827 1.00 0.00 H new ATOM 625 N VAL A 44 0.513 10.780 -3.024 1.00 0.00 N ATOM 626 CA VAL A 44 1.564 10.032 -3.703 1.00 0.00 C ATOM 627 C VAL A 44 1.074 8.649 -4.118 1.00 0.00 C ATOM 628 O VAL A 44 1.415 8.155 -5.192 1.00 0.00 O ATOM 629 CB VAL A 44 2.810 9.876 -2.810 1.00 0.00 C ATOM 630 CG1 VAL A 44 3.862 9.025 -3.505 1.00 0.00 C ATOM 631 CG2 VAL A 44 3.373 11.240 -2.441 1.00 0.00 C ATOM 0 H VAL A 44 0.728 11.027 -2.058 1.00 0.00 H new ATOM 0 HA VAL A 44 1.833 10.602 -4.593 1.00 0.00 H new ATOM 0 HB VAL A 44 2.517 9.368 -1.891 1.00 0.00 H new ATOM 0 HG11 VAL A 44 4.735 8.926 -2.859 1.00 0.00 H new ATOM 0 HG12 VAL A 44 3.451 8.037 -3.714 1.00 0.00 H new ATOM 0 HG13 VAL A 44 4.155 9.501 -4.441 1.00 0.00 H new ATOM 0 HG21 VAL A 44 4.253 11.112 -1.810 1.00 0.00 H new ATOM 0 HG22 VAL A 44 3.652 11.776 -3.348 1.00 0.00 H new ATOM 0 HG23 VAL A 44 2.618 11.811 -1.900 1.00 0.00 H new ATOM 641 N ALA A 45 0.272 8.029 -3.259 1.00 0.00 N ATOM 642 CA ALA A 45 -0.268 6.704 -3.537 1.00 0.00 C ATOM 643 C ALA A 45 -1.391 6.773 -4.566 1.00 0.00 C ATOM 644 O ALA A 45 -1.284 6.207 -5.654 1.00 0.00 O ATOM 645 CB ALA A 45 -0.765 6.056 -2.253 1.00 0.00 C ATOM 0 H ALA A 45 -0.018 8.423 -2.364 1.00 0.00 H new ATOM 0 HA ALA A 45 0.533 6.093 -3.953 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -1.166 5.067 -2.476 1.00 0.00 H new ATOM 0 HB2 ALA A 45 0.062 5.962 -1.549 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -1.548 6.674 -1.813 1.00 0.00 H new ATOM 651 N MET A 46 -2.466 7.470 -4.216 1.00 0.00 N ATOM 652 CA MET A 46 -3.609 7.613 -5.111 1.00 0.00 C ATOM 653 C MET A 46 -3.159 8.047 -6.502 1.00 0.00 C ATOM 654 O MET A 46 -3.855 7.813 -7.490 1.00 0.00 O ATOM 655 CB MET A 46 -4.603 8.629 -4.544 1.00 0.00 C ATOM 656 CG MET A 46 -5.992 8.525 -5.154 1.00 0.00 C ATOM 657 SD MET A 46 -6.718 6.887 -4.951 1.00 0.00 S ATOM 658 CE MET A 46 -7.765 7.156 -3.523 1.00 0.00 C ATOM 0 H MET A 46 -2.570 7.945 -3.319 1.00 0.00 H new ATOM 0 HA MET A 46 -4.099 6.643 -5.193 1.00 0.00 H new ATOM 0 HB2 MET A 46 -4.677 8.490 -3.465 1.00 0.00 H new ATOM 0 HB3 MET A 46 -4.217 9.635 -4.710 1.00 0.00 H new ATOM 0 HG2 MET A 46 -6.644 9.267 -4.693 1.00 0.00 H new ATOM 0 HG3 MET A 46 -5.937 8.765 -6.216 1.00 0.00 H new ATOM 0 HE1 MET A 46 -8.284 6.231 -3.273 1.00 0.00 H new ATOM 0 HE2 MET A 46 -7.153 7.470 -2.677 1.00 0.00 H new ATOM 0 HE3 MET A 46 -8.496 7.932 -3.749 1.00 0.00 H new ATOM 668 N ARG A 47 -1.991 8.678 -6.572 1.00 0.00 N ATOM 669 CA ARG A 47 -1.450 9.145 -7.842 1.00 0.00 C ATOM 670 C ARG A 47 -0.755 8.009 -8.587 1.00 0.00 C ATOM 671 O ARG A 47 -0.847 7.909 -9.810 1.00 0.00 O ATOM 672 CB ARG A 47 -0.467 10.294 -7.611 1.00 0.00 C ATOM 673 CG ARG A 47 0.043 10.927 -8.895 1.00 0.00 C ATOM 674 CD ARG A 47 -0.946 11.941 -9.448 1.00 0.00 C ATOM 675 NE ARG A 47 -0.650 12.295 -10.833 1.00 0.00 N ATOM 676 CZ ARG A 47 -0.934 11.512 -11.868 1.00 0.00 C ATOM 677 NH1 ARG A 47 -1.517 10.338 -11.675 1.00 0.00 N ATOM 678 NH2 ARG A 47 -0.634 11.904 -13.100 1.00 0.00 N ATOM 0 H ARG A 47 -1.402 8.877 -5.764 1.00 0.00 H new ATOM 0 HA ARG A 47 -2.280 9.503 -8.452 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -0.952 11.060 -7.006 1.00 0.00 H new ATOM 0 HB3 ARG A 47 0.382 9.924 -7.036 1.00 0.00 H new ATOM 0 HG2 ARG A 47 0.999 11.415 -8.706 1.00 0.00 H new ATOM 0 HG3 ARG A 47 0.223 10.150 -9.638 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -1.955 11.534 -9.386 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -0.926 12.840 -8.832 1.00 0.00 H new ATOM 0 HE ARG A 47 -0.201 13.192 -11.016 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -1.749 10.033 -10.730 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -1.734 9.739 -12.472 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -0.185 12.807 -13.253 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -0.852 11.302 -13.894 1.00 0.00 H new ATOM 692 N ALA A 48 -0.060 7.157 -7.841 1.00 0.00 N ATOM 693 CA ALA A 48 0.649 6.028 -8.430 1.00 0.00 C ATOM 694 C ALA A 48 -0.327 4.994 -8.982 1.00 0.00 C ATOM 695 O ALA A 48 0.015 4.214 -9.870 1.00 0.00 O ATOM 696 CB ALA A 48 1.571 5.390 -7.403 1.00 0.00 C ATOM 0 H ALA A 48 0.027 7.227 -6.827 1.00 0.00 H new ATOM 0 HA ALA A 48 1.250 6.401 -9.259 1.00 0.00 H new ATOM 0 HB1 ALA A 48 2.094 4.548 -7.857 1.00 0.00 H new ATOM 0 HB2 ALA A 48 2.298 6.126 -7.059 1.00 0.00 H new ATOM 0 HB3 ALA A 48 0.983 5.038 -6.555 1.00 0.00 H new ATOM 702 N GLY A 49 -1.546 4.993 -8.449 1.00 0.00 N ATOM 703 CA GLY A 49 -2.552 4.050 -8.900 1.00 0.00 C ATOM 704 C GLY A 49 -2.605 2.803 -8.040 1.00 0.00 C ATOM 705 O GLY A 49 -2.888 1.711 -8.533 1.00 0.00 O ATOM 0 H GLY A 49 -1.854 5.629 -7.713 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -3.529 4.534 -8.893 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -2.344 3.767 -9.932 1.00 0.00 H new ATOM 709 N VAL A 50 -2.331 2.964 -6.749 1.00 0.00 N ATOM 710 CA VAL A 50 -2.348 1.842 -5.818 1.00 0.00 C ATOM 711 C VAL A 50 -3.618 1.847 -4.975 1.00 0.00 C ATOM 712 O VAL A 50 -3.923 2.830 -4.298 1.00 0.00 O ATOM 713 CB VAL A 50 -1.124 1.870 -4.883 1.00 0.00 C ATOM 714 CG1 VAL A 50 -0.974 3.241 -4.241 1.00 0.00 C ATOM 715 CG2 VAL A 50 -1.239 0.785 -3.824 1.00 0.00 C ATOM 0 H VAL A 50 -2.095 3.861 -6.324 1.00 0.00 H new ATOM 0 HA VAL A 50 -2.317 0.932 -6.418 1.00 0.00 H new ATOM 0 HB VAL A 50 -0.230 1.674 -5.475 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -0.104 3.242 -3.584 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -0.843 3.994 -5.018 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -1.868 3.471 -3.660 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -0.366 0.819 -3.172 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -2.140 0.948 -3.233 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -1.293 -0.191 -4.307 1.00 0.00 H new ATOM 725 N LEU A 51 -4.355 0.743 -5.020 1.00 0.00 N ATOM 726 CA LEU A 51 -5.593 0.618 -4.259 1.00 0.00 C ATOM 727 C LEU A 51 -5.320 0.079 -2.859 1.00 0.00 C ATOM 728 O LEU A 51 -4.226 -0.405 -2.572 1.00 0.00 O ATOM 729 CB LEU A 51 -6.574 -0.301 -4.990 1.00 0.00 C ATOM 730 CG LEU A 51 -7.191 0.259 -6.272 1.00 0.00 C ATOM 731 CD1 LEU A 51 -7.673 -0.870 -7.170 1.00 0.00 C ATOM 732 CD2 LEU A 51 -8.335 1.207 -5.943 1.00 0.00 C ATOM 0 H LEU A 51 -4.117 -0.079 -5.575 1.00 0.00 H new ATOM 0 HA LEU A 51 -6.035 1.610 -4.166 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -6.058 -1.229 -5.235 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -7.381 -0.557 -4.304 1.00 0.00 H new ATOM 0 HG LEU A 51 -6.424 0.819 -6.807 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -8.109 -0.452 -8.077 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -6.831 -1.510 -7.433 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -8.425 -1.458 -6.644 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -8.762 1.596 -6.867 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -9.103 0.671 -5.386 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -7.960 2.034 -5.340 1.00 0.00 H new ATOM 744 N ALA A 52 -6.324 0.165 -1.991 1.00 0.00 N ATOM 745 CA ALA A 52 -6.193 -0.318 -0.622 1.00 0.00 C ATOM 746 C ALA A 52 -6.498 -1.810 -0.535 1.00 0.00 C ATOM 747 O ALA A 52 -6.839 -2.443 -1.534 1.00 0.00 O ATOM 748 CB ALA A 52 -7.112 0.465 0.304 1.00 0.00 C ATOM 0 H ALA A 52 -7.236 0.564 -2.212 1.00 0.00 H new ATOM 0 HA ALA A 52 -5.161 -0.165 -0.306 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -7.004 0.094 1.323 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -6.846 1.522 0.273 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -8.146 0.341 -0.019 1.00 0.00 H new ATOM 754 N ASP A 53 -6.372 -2.366 0.665 1.00 0.00 N ATOM 755 CA ASP A 53 -6.634 -3.783 0.883 1.00 0.00 C ATOM 756 C ASP A 53 -5.941 -4.633 -0.178 1.00 0.00 C ATOM 757 O ASP A 53 -6.483 -5.642 -0.631 1.00 0.00 O ATOM 758 CB ASP A 53 -8.140 -4.054 0.866 1.00 0.00 C ATOM 759 CG ASP A 53 -8.520 -5.259 1.703 1.00 0.00 C ATOM 760 OD1 ASP A 53 -7.777 -6.263 1.671 1.00 0.00 O ATOM 761 OD2 ASP A 53 -9.561 -5.199 2.391 1.00 0.00 O ATOM 0 H ASP A 53 -6.090 -1.856 1.502 1.00 0.00 H new ATOM 0 HA ASP A 53 -6.234 -4.055 1.860 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -8.669 -3.176 1.237 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -8.466 -4.212 -0.162 1.00 0.00 H new ATOM 766 N ASP A 54 -4.741 -4.219 -0.569 1.00 0.00 N ATOM 767 CA ASP A 54 -3.973 -4.942 -1.576 1.00 0.00 C ATOM 768 C ASP A 54 -2.778 -5.648 -0.944 1.00 0.00 C ATOM 769 O ASP A 54 -1.834 -5.005 -0.485 1.00 0.00 O ATOM 770 CB ASP A 54 -3.496 -3.984 -2.669 1.00 0.00 C ATOM 771 CG ASP A 54 -4.591 -3.644 -3.660 1.00 0.00 C ATOM 772 OD1 ASP A 54 -5.778 -3.830 -3.319 1.00 0.00 O ATOM 773 OD2 ASP A 54 -4.262 -3.195 -4.778 1.00 0.00 O ATOM 0 H ASP A 54 -4.279 -3.386 -0.204 1.00 0.00 H new ATOM 0 HA ASP A 54 -4.623 -5.695 -2.022 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -3.129 -3.067 -2.209 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -2.656 -4.432 -3.200 1.00 0.00 H new ATOM 778 N HIS A 55 -2.826 -6.977 -0.923 1.00 0.00 N ATOM 779 CA HIS A 55 -1.747 -7.771 -0.347 1.00 0.00 C ATOM 780 C HIS A 55 -0.420 -7.468 -1.037 1.00 0.00 C ATOM 781 O HIS A 55 -0.311 -7.555 -2.261 1.00 0.00 O ATOM 782 CB HIS A 55 -2.066 -9.262 -0.462 1.00 0.00 C ATOM 783 CG HIS A 55 -1.053 -10.145 0.201 1.00 0.00 C ATOM 784 ND1 HIS A 55 -0.051 -9.850 1.061 1.00 0.00 N flip ATOM 785 CD2 HIS A 55 -0.999 -11.508 0.005 1.00 0.00 C flip ATOM 786 CE1 HIS A 55 0.583 -11.029 1.367 1.00 0.00 C flip ATOM 787 NE2 HIS A 55 -0.009 -12.015 0.717 1.00 0.00 N flip ATOM 0 H HIS A 55 -3.600 -7.526 -1.298 1.00 0.00 H new ATOM 0 HA HIS A 55 -1.657 -7.506 0.706 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -3.045 -9.451 -0.021 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -2.135 -9.530 -1.516 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -1.663 -12.074 -0.632 1.00 0.00 H new ATOM 0 HE1 HIS A 55 1.428 -11.133 2.031 1.00 0.00 H new ATOM 0 HE2 HIS A 55 0.254 -13.000 0.758 1.00 0.00 H new ATOM 796 N LEU A 56 0.585 -7.111 -0.245 1.00 0.00 N ATOM 797 CA LEU A 56 1.904 -6.794 -0.779 1.00 0.00 C ATOM 798 C LEU A 56 2.560 -8.032 -1.381 1.00 0.00 C ATOM 799 O LEU A 56 2.502 -9.119 -0.805 1.00 0.00 O ATOM 800 CB LEU A 56 2.796 -6.214 0.321 1.00 0.00 C ATOM 801 CG LEU A 56 2.760 -4.694 0.481 1.00 0.00 C ATOM 802 CD1 LEU A 56 3.461 -4.276 1.765 1.00 0.00 C ATOM 803 CD2 LEU A 56 3.398 -4.015 -0.722 1.00 0.00 C ATOM 0 H LEU A 56 0.511 -7.034 0.769 1.00 0.00 H new ATOM 0 HA LEU A 56 1.780 -6.051 -1.567 1.00 0.00 H new ATOM 0 HB2 LEU A 56 2.509 -6.666 1.270 1.00 0.00 H new ATOM 0 HB3 LEU A 56 3.825 -6.514 0.123 1.00 0.00 H new ATOM 0 HG LEU A 56 1.718 -4.379 0.540 1.00 0.00 H new ATOM 0 HD11 LEU A 56 3.426 -3.191 1.862 1.00 0.00 H new ATOM 0 HD12 LEU A 56 2.960 -4.733 2.618 1.00 0.00 H new ATOM 0 HD13 LEU A 56 4.500 -4.604 1.736 1.00 0.00 H new ATOM 0 HD21 LEU A 56 3.363 -2.934 -0.590 1.00 0.00 H new ATOM 0 HD22 LEU A 56 4.436 -4.336 -0.813 1.00 0.00 H new ATOM 0 HD23 LEU A 56 2.853 -4.288 -1.625 1.00 0.00 H new ATOM 815 N ILE A 57 3.186 -7.860 -2.540 1.00 0.00 N ATOM 816 CA ILE A 57 3.857 -8.963 -3.217 1.00 0.00 C ATOM 817 C ILE A 57 5.371 -8.791 -3.181 1.00 0.00 C ATOM 818 O ILE A 57 6.112 -9.764 -3.045 1.00 0.00 O ATOM 819 CB ILE A 57 3.400 -9.084 -4.683 1.00 0.00 C ATOM 820 CG1 ILE A 57 1.873 -9.122 -4.763 1.00 0.00 C ATOM 821 CG2 ILE A 57 4.001 -10.326 -5.324 1.00 0.00 C ATOM 822 CD1 ILE A 57 1.271 -10.394 -4.209 1.00 0.00 C ATOM 0 H ILE A 57 3.243 -6.967 -3.030 1.00 0.00 H new ATOM 0 HA ILE A 57 3.585 -9.874 -2.683 1.00 0.00 H new ATOM 0 HB ILE A 57 3.751 -8.210 -5.231 1.00 0.00 H new ATOM 0 HG12 ILE A 57 1.467 -8.270 -4.218 1.00 0.00 H new ATOM 0 HG13 ILE A 57 1.569 -9.009 -5.804 1.00 0.00 H new ATOM 0 HG21 ILE A 57 3.669 -10.398 -6.360 1.00 0.00 H new ATOM 0 HG22 ILE A 57 5.089 -10.260 -5.295 1.00 0.00 H new ATOM 0 HG23 ILE A 57 3.677 -11.211 -4.777 1.00 0.00 H new ATOM 0 HD11 ILE A 57 0.185 -10.352 -4.298 1.00 0.00 H new ATOM 0 HD12 ILE A 57 1.648 -11.249 -4.770 1.00 0.00 H new ATOM 0 HD13 ILE A 57 1.545 -10.499 -3.159 1.00 0.00 H new ATOM 834 N GLU A 58 5.824 -7.547 -3.301 1.00 0.00 N ATOM 835 CA GLU A 58 7.251 -7.249 -3.280 1.00 0.00 C ATOM 836 C GLU A 58 7.492 -5.742 -3.283 1.00 0.00 C ATOM 837 O GLU A 58 6.745 -4.984 -3.901 1.00 0.00 O ATOM 838 CB GLU A 58 7.946 -7.889 -4.484 1.00 0.00 C ATOM 839 CG GLU A 58 7.513 -7.306 -5.818 1.00 0.00 C ATOM 840 CD GLU A 58 8.312 -7.857 -6.983 1.00 0.00 C ATOM 841 OE1 GLU A 58 9.360 -7.265 -7.316 1.00 0.00 O ATOM 842 OE2 GLU A 58 7.890 -8.880 -7.562 1.00 0.00 O ATOM 0 H GLU A 58 5.224 -6.730 -3.414 1.00 0.00 H new ATOM 0 HA GLU A 58 7.669 -7.665 -2.364 1.00 0.00 H new ATOM 0 HB2 GLU A 58 9.024 -7.768 -4.377 1.00 0.00 H new ATOM 0 HB3 GLU A 58 7.744 -8.960 -4.482 1.00 0.00 H new ATOM 0 HG2 GLU A 58 6.455 -7.517 -5.976 1.00 0.00 H new ATOM 0 HG3 GLU A 58 7.621 -6.222 -5.789 1.00 0.00 H new ATOM 849 N VAL A 59 8.540 -5.315 -2.585 1.00 0.00 N ATOM 850 CA VAL A 59 8.881 -3.900 -2.507 1.00 0.00 C ATOM 851 C VAL A 59 10.256 -3.631 -3.109 1.00 0.00 C ATOM 852 O VAL A 59 11.227 -4.316 -2.793 1.00 0.00 O ATOM 853 CB VAL A 59 8.863 -3.398 -1.050 1.00 0.00 C ATOM 854 CG1 VAL A 59 9.315 -1.948 -0.979 1.00 0.00 C ATOM 855 CG2 VAL A 59 7.477 -3.564 -0.447 1.00 0.00 C ATOM 0 H VAL A 59 9.167 -5.929 -2.066 1.00 0.00 H new ATOM 0 HA VAL A 59 8.126 -3.361 -3.079 1.00 0.00 H new ATOM 0 HB VAL A 59 9.561 -3.999 -0.468 1.00 0.00 H new ATOM 0 HG11 VAL A 59 9.296 -1.611 0.057 1.00 0.00 H new ATOM 0 HG12 VAL A 59 10.329 -1.864 -1.369 1.00 0.00 H new ATOM 0 HG13 VAL A 59 8.644 -1.328 -1.574 1.00 0.00 H new ATOM 0 HG21 VAL A 59 7.482 -3.205 0.582 1.00 0.00 H new ATOM 0 HG22 VAL A 59 6.756 -2.989 -1.028 1.00 0.00 H new ATOM 0 HG23 VAL A 59 7.198 -4.617 -0.462 1.00 0.00 H new ATOM 865 N ASN A 60 10.329 -2.628 -3.978 1.00 0.00 N ATOM 866 CA ASN A 60 11.586 -2.268 -4.625 1.00 0.00 C ATOM 867 C ASN A 60 12.288 -3.506 -5.175 1.00 0.00 C ATOM 868 O ASN A 60 13.514 -3.547 -5.266 1.00 0.00 O ATOM 869 CB ASN A 60 12.503 -1.544 -3.637 1.00 0.00 C ATOM 870 CG ASN A 60 13.473 -0.607 -4.329 1.00 0.00 C ATOM 871 OD1 ASN A 60 13.607 0.603 -3.798 1.00 0.00 O flip ATOM 872 ND2 ASN A 60 14.094 -0.966 -5.329 1.00 0.00 N flip ATOM 0 H ASN A 60 9.534 -2.051 -4.250 1.00 0.00 H new ATOM 0 HA ASN A 60 11.360 -1.600 -5.457 1.00 0.00 H new ATOM 0 HB2 ASN A 60 11.896 -0.978 -2.931 1.00 0.00 H new ATOM 0 HB3 ASN A 60 13.062 -2.279 -3.059 1.00 0.00 H new ATOM 0 HD21 ASN A 60 13.960 -1.906 -5.703 1.00 0.00 H new ATOM 0 HD22 ASN A 60 14.743 -0.324 -5.784 1.00 0.00 H new ATOM 879 N GLY A 61 11.501 -4.513 -5.541 1.00 0.00 N ATOM 880 CA GLY A 61 12.065 -5.738 -6.078 1.00 0.00 C ATOM 881 C GLY A 61 12.412 -6.740 -4.996 1.00 0.00 C ATOM 882 O GLY A 61 13.245 -7.622 -5.202 1.00 0.00 O ATOM 0 H GLY A 61 10.483 -4.503 -5.475 1.00 0.00 H new ATOM 0 HA2 GLY A 61 11.354 -6.188 -6.771 1.00 0.00 H new ATOM 0 HA3 GLY A 61 12.962 -5.501 -6.650 1.00 0.00 H new ATOM 886 N GLU A 62 11.772 -6.604 -3.838 1.00 0.00 N ATOM 887 CA GLU A 62 12.021 -7.504 -2.718 1.00 0.00 C ATOM 888 C GLU A 62 10.717 -8.109 -2.207 1.00 0.00 C ATOM 889 O GLU A 62 9.938 -7.445 -1.524 1.00 0.00 O ATOM 890 CB GLU A 62 12.730 -6.760 -1.585 1.00 0.00 C ATOM 891 CG GLU A 62 13.649 -7.644 -0.758 1.00 0.00 C ATOM 892 CD GLU A 62 12.903 -8.428 0.305 1.00 0.00 C ATOM 893 OE1 GLU A 62 11.661 -8.518 0.212 1.00 0.00 O ATOM 894 OE2 GLU A 62 13.561 -8.950 1.229 1.00 0.00 O ATOM 0 H GLU A 62 11.078 -5.880 -3.652 1.00 0.00 H new ATOM 0 HA GLU A 62 12.663 -8.312 -3.069 1.00 0.00 H new ATOM 0 HB2 GLU A 62 13.311 -5.941 -2.008 1.00 0.00 H new ATOM 0 HB3 GLU A 62 11.981 -6.315 -0.930 1.00 0.00 H new ATOM 0 HG2 GLU A 62 14.170 -8.338 -1.418 1.00 0.00 H new ATOM 0 HG3 GLU A 62 14.410 -7.026 -0.281 1.00 0.00 H new ATOM 901 N ASN A 63 10.486 -9.374 -2.543 1.00 0.00 N ATOM 902 CA ASN A 63 9.276 -10.069 -2.119 1.00 0.00 C ATOM 903 C ASN A 63 8.990 -9.812 -0.642 1.00 0.00 C ATOM 904 O ASN A 63 9.816 -10.110 0.221 1.00 0.00 O ATOM 905 CB ASN A 63 9.411 -11.572 -2.370 1.00 0.00 C ATOM 906 CG ASN A 63 9.049 -11.955 -3.793 1.00 0.00 C ATOM 907 OD1 ASN A 63 9.924 -12.133 -4.641 1.00 0.00 O ATOM 908 ND2 ASN A 63 7.755 -12.084 -4.059 1.00 0.00 N ATOM 0 H ASN A 63 11.121 -9.939 -3.108 1.00 0.00 H new ATOM 0 HA ASN A 63 8.442 -9.683 -2.705 1.00 0.00 H new ATOM 0 HB2 ASN A 63 10.435 -11.882 -2.162 1.00 0.00 H new ATOM 0 HB3 ASN A 63 8.768 -12.113 -1.676 1.00 0.00 H new ATOM 0 HD21 ASN A 63 7.450 -12.341 -4.998 1.00 0.00 H new ATOM 0 HD22 ASN A 63 7.065 -11.927 -3.324 1.00 0.00 H new ATOM 915 N VAL A 64 7.815 -9.259 -0.360 1.00 0.00 N ATOM 916 CA VAL A 64 7.420 -8.964 1.012 1.00 0.00 C ATOM 917 C VAL A 64 6.168 -9.741 1.402 1.00 0.00 C ATOM 918 O VAL A 64 5.619 -9.550 2.487 1.00 0.00 O ATOM 919 CB VAL A 64 7.158 -7.459 1.210 1.00 0.00 C ATOM 920 CG1 VAL A 64 8.470 -6.689 1.244 1.00 0.00 C ATOM 921 CG2 VAL A 64 6.248 -6.928 0.113 1.00 0.00 C ATOM 0 H VAL A 64 7.120 -9.006 -1.063 1.00 0.00 H new ATOM 0 HA VAL A 64 8.248 -9.268 1.652 1.00 0.00 H new ATOM 0 HB VAL A 64 6.656 -7.318 2.167 1.00 0.00 H new ATOM 0 HG11 VAL A 64 8.265 -5.628 1.385 1.00 0.00 H new ATOM 0 HG12 VAL A 64 9.084 -7.052 2.068 1.00 0.00 H new ATOM 0 HG13 VAL A 64 9.002 -6.835 0.304 1.00 0.00 H new ATOM 0 HG21 VAL A 64 6.074 -5.863 0.269 1.00 0.00 H new ATOM 0 HG22 VAL A 64 6.721 -7.080 -0.857 1.00 0.00 H new ATOM 0 HG23 VAL A 64 5.297 -7.459 0.140 1.00 0.00 H new ATOM 931 N GLU A 65 5.721 -10.620 0.510 1.00 0.00 N ATOM 932 CA GLU A 65 4.533 -11.426 0.761 1.00 0.00 C ATOM 933 C GLU A 65 4.470 -11.862 2.223 1.00 0.00 C ATOM 934 O GLU A 65 3.486 -11.603 2.917 1.00 0.00 O ATOM 935 CB GLU A 65 4.521 -12.656 -0.149 1.00 0.00 C ATOM 936 CG GLU A 65 4.251 -12.330 -1.609 1.00 0.00 C ATOM 937 CD GLU A 65 2.770 -12.271 -1.929 1.00 0.00 C ATOM 938 OE1 GLU A 65 2.066 -11.434 -1.326 1.00 0.00 O ATOM 939 OE2 GLU A 65 2.315 -13.061 -2.782 1.00 0.00 O ATOM 0 H GLU A 65 6.164 -10.792 -0.393 1.00 0.00 H new ATOM 0 HA GLU A 65 3.658 -10.813 0.543 1.00 0.00 H new ATOM 0 HB2 GLU A 65 5.482 -13.165 -0.071 1.00 0.00 H new ATOM 0 HB3 GLU A 65 3.761 -13.353 0.206 1.00 0.00 H new ATOM 0 HG2 GLU A 65 4.710 -11.373 -1.855 1.00 0.00 H new ATOM 0 HG3 GLU A 65 4.725 -13.082 -2.239 1.00 0.00 H new ATOM 946 N ASP A 66 5.526 -12.524 2.682 1.00 0.00 N ATOM 947 CA ASP A 66 5.592 -12.995 4.061 1.00 0.00 C ATOM 948 C ASP A 66 6.631 -12.209 4.855 1.00 0.00 C ATOM 949 O ASP A 66 7.349 -12.769 5.681 1.00 0.00 O ATOM 950 CB ASP A 66 5.927 -14.487 4.096 1.00 0.00 C ATOM 951 CG ASP A 66 6.834 -14.904 2.955 1.00 0.00 C ATOM 952 OD1 ASP A 66 7.956 -14.364 2.860 1.00 0.00 O ATOM 953 OD2 ASP A 66 6.422 -15.772 2.157 1.00 0.00 O ATOM 0 H ASP A 66 6.348 -12.747 2.120 1.00 0.00 H new ATOM 0 HA ASP A 66 4.616 -12.838 4.520 1.00 0.00 H new ATOM 0 HB2 ASP A 66 6.408 -14.726 5.044 1.00 0.00 H new ATOM 0 HB3 ASP A 66 5.004 -15.065 4.052 1.00 0.00 H new ATOM 958 N ALA A 67 6.704 -10.907 4.597 1.00 0.00 N ATOM 959 CA ALA A 67 7.653 -10.044 5.288 1.00 0.00 C ATOM 960 C ALA A 67 6.976 -9.276 6.417 1.00 0.00 C ATOM 961 O ALA A 67 5.881 -8.739 6.247 1.00 0.00 O ATOM 962 CB ALA A 67 8.301 -9.079 4.305 1.00 0.00 C ATOM 0 H ALA A 67 6.117 -10.427 3.914 1.00 0.00 H new ATOM 0 HA ALA A 67 8.427 -10.674 5.726 1.00 0.00 H new ATOM 0 HB1 ALA A 67 9.008 -8.440 4.835 1.00 0.00 H new ATOM 0 HB2 ALA A 67 8.828 -9.643 3.535 1.00 0.00 H new ATOM 0 HB3 ALA A 67 7.532 -8.462 3.840 1.00 0.00 H new ATOM 968 N SER A 68 7.633 -9.228 7.572 1.00 0.00 N ATOM 969 CA SER A 68 7.091 -8.529 8.731 1.00 0.00 C ATOM 970 C SER A 68 7.103 -7.020 8.511 1.00 0.00 C ATOM 971 O SER A 68 8.015 -6.480 7.883 1.00 0.00 O ATOM 972 CB SER A 68 7.895 -8.879 9.985 1.00 0.00 C ATOM 973 OG SER A 68 7.889 -10.277 10.221 1.00 0.00 O ATOM 0 H SER A 68 8.541 -9.665 7.730 1.00 0.00 H new ATOM 0 HA SER A 68 6.058 -8.850 8.868 1.00 0.00 H new ATOM 0 HB2 SER A 68 8.922 -8.531 9.872 1.00 0.00 H new ATOM 0 HB3 SER A 68 7.475 -8.360 10.847 1.00 0.00 H new ATOM 0 HG SER A 68 8.411 -10.475 11.027 1.00 0.00 H new ATOM 979 N HIS A 69 6.084 -6.344 9.031 1.00 0.00 N ATOM 980 CA HIS A 69 5.976 -4.896 8.892 1.00 0.00 C ATOM 981 C HIS A 69 7.335 -4.229 9.084 1.00 0.00 C ATOM 982 O HIS A 69 7.733 -3.373 8.295 1.00 0.00 O ATOM 983 CB HIS A 69 4.974 -4.338 9.903 1.00 0.00 C ATOM 984 CG HIS A 69 4.507 -2.952 9.582 1.00 0.00 C ATOM 985 ND1 HIS A 69 3.358 -2.403 10.111 1.00 0.00 N ATOM 986 CD2 HIS A 69 5.042 -2.001 8.781 1.00 0.00 C ATOM 987 CE1 HIS A 69 3.206 -1.175 9.649 1.00 0.00 C ATOM 988 NE2 HIS A 69 4.215 -0.907 8.839 1.00 0.00 N ATOM 0 H HIS A 69 5.321 -6.776 9.553 1.00 0.00 H new ATOM 0 HA HIS A 69 5.623 -4.678 7.884 1.00 0.00 H new ATOM 0 HB2 HIS A 69 4.110 -5.002 9.950 1.00 0.00 H new ATOM 0 HB3 HIS A 69 5.431 -4.338 10.893 1.00 0.00 H new ATOM 0 HD2 HIS A 69 5.951 -2.087 8.204 1.00 0.00 H new ATOM 0 HE1 HIS A 69 2.395 -0.504 9.892 1.00 0.00 H new ATOM 0 HE2 HIS A 69 4.356 -0.030 8.338 1.00 0.00 H new ATOM 997 N GLU A 70 8.041 -4.628 10.138 1.00 0.00 N ATOM 998 CA GLU A 70 9.354 -4.067 10.433 1.00 0.00 C ATOM 999 C GLU A 70 10.291 -4.216 9.238 1.00 0.00 C ATOM 1000 O GLU A 70 11.065 -3.311 8.927 1.00 0.00 O ATOM 1001 CB GLU A 70 9.962 -4.752 11.659 1.00 0.00 C ATOM 1002 CG GLU A 70 9.216 -4.461 12.951 1.00 0.00 C ATOM 1003 CD GLU A 70 9.970 -4.932 14.179 1.00 0.00 C ATOM 1004 OE1 GLU A 70 11.023 -4.338 14.491 1.00 0.00 O ATOM 1005 OE2 GLU A 70 9.508 -5.894 14.828 1.00 0.00 O ATOM 0 H GLU A 70 7.726 -5.337 10.801 1.00 0.00 H new ATOM 0 HA GLU A 70 9.227 -3.005 10.644 1.00 0.00 H new ATOM 0 HB2 GLU A 70 9.977 -5.829 11.493 1.00 0.00 H new ATOM 0 HB3 GLU A 70 10.998 -4.431 11.767 1.00 0.00 H new ATOM 0 HG2 GLU A 70 9.036 -3.389 13.029 1.00 0.00 H new ATOM 0 HG3 GLU A 70 8.240 -4.946 12.920 1.00 0.00 H new ATOM 1012 N GLU A 71 10.214 -5.364 8.573 1.00 0.00 N ATOM 1013 CA GLU A 71 11.056 -5.632 7.412 1.00 0.00 C ATOM 1014 C GLU A 71 10.734 -4.669 6.273 1.00 0.00 C ATOM 1015 O GLU A 71 11.632 -4.174 5.591 1.00 0.00 O ATOM 1016 CB GLU A 71 10.870 -7.076 6.942 1.00 0.00 C ATOM 1017 CG GLU A 71 11.565 -8.098 7.826 1.00 0.00 C ATOM 1018 CD GLU A 71 13.054 -7.842 7.956 1.00 0.00 C ATOM 1019 OE1 GLU A 71 13.657 -7.350 6.979 1.00 0.00 O ATOM 1020 OE2 GLU A 71 13.615 -8.133 9.032 1.00 0.00 O ATOM 0 H GLU A 71 9.578 -6.123 8.818 1.00 0.00 H new ATOM 0 HA GLU A 71 12.095 -5.485 7.707 1.00 0.00 H new ATOM 0 HB2 GLU A 71 9.805 -7.303 6.907 1.00 0.00 H new ATOM 0 HB3 GLU A 71 11.250 -7.170 5.925 1.00 0.00 H new ATOM 0 HG2 GLU A 71 11.110 -8.085 8.817 1.00 0.00 H new ATOM 0 HG3 GLU A 71 11.406 -9.095 7.416 1.00 0.00 H new ATOM 1027 N VAL A 72 9.446 -4.409 6.072 1.00 0.00 N ATOM 1028 CA VAL A 72 9.005 -3.505 5.016 1.00 0.00 C ATOM 1029 C VAL A 72 9.305 -2.054 5.373 1.00 0.00 C ATOM 1030 O VAL A 72 10.093 -1.388 4.702 1.00 0.00 O ATOM 1031 CB VAL A 72 7.496 -3.654 4.744 1.00 0.00 C ATOM 1032 CG1 VAL A 72 7.050 -2.683 3.662 1.00 0.00 C ATOM 1033 CG2 VAL A 72 7.164 -5.087 4.356 1.00 0.00 C ATOM 0 H VAL A 72 8.690 -4.811 6.626 1.00 0.00 H new ATOM 0 HA VAL A 72 9.558 -3.776 4.116 1.00 0.00 H new ATOM 0 HB VAL A 72 6.954 -3.415 5.659 1.00 0.00 H new ATOM 0 HG11 VAL A 72 5.981 -2.803 3.484 1.00 0.00 H new ATOM 0 HG12 VAL A 72 7.252 -1.661 3.984 1.00 0.00 H new ATOM 0 HG13 VAL A 72 7.597 -2.888 2.742 1.00 0.00 H new ATOM 0 HG21 VAL A 72 6.094 -5.174 4.167 1.00 0.00 H new ATOM 0 HG22 VAL A 72 7.714 -5.357 3.455 1.00 0.00 H new ATOM 0 HG23 VAL A 72 7.445 -5.758 5.167 1.00 0.00 H new ATOM 1043 N VAL A 73 8.672 -1.569 6.437 1.00 0.00 N ATOM 1044 CA VAL A 73 8.872 -0.196 6.886 1.00 0.00 C ATOM 1045 C VAL A 73 10.346 0.190 6.832 1.00 0.00 C ATOM 1046 O VAL A 73 10.685 1.345 6.579 1.00 0.00 O ATOM 1047 CB VAL A 73 8.351 0.007 8.321 1.00 0.00 C ATOM 1048 CG1 VAL A 73 9.133 -0.855 9.300 1.00 0.00 C ATOM 1049 CG2 VAL A 73 8.426 1.475 8.712 1.00 0.00 C ATOM 0 H VAL A 73 8.016 -2.107 7.004 1.00 0.00 H new ATOM 0 HA VAL A 73 8.307 0.444 6.209 1.00 0.00 H new ATOM 0 HB VAL A 73 7.306 -0.302 8.357 1.00 0.00 H new ATOM 0 HG11 VAL A 73 8.751 -0.698 10.309 1.00 0.00 H new ATOM 0 HG12 VAL A 73 9.022 -1.905 9.029 1.00 0.00 H new ATOM 0 HG13 VAL A 73 10.187 -0.580 9.265 1.00 0.00 H new ATOM 0 HG21 VAL A 73 8.054 1.600 9.729 1.00 0.00 H new ATOM 0 HG22 VAL A 73 9.461 1.813 8.660 1.00 0.00 H new ATOM 0 HG23 VAL A 73 7.817 2.065 8.028 1.00 0.00 H new ATOM 1059 N GLU A 74 11.217 -0.785 7.073 1.00 0.00 N ATOM 1060 CA GLU A 74 12.655 -0.546 7.052 1.00 0.00 C ATOM 1061 C GLU A 74 13.187 -0.554 5.622 1.00 0.00 C ATOM 1062 O GLU A 74 14.074 0.226 5.273 1.00 0.00 O ATOM 1063 CB GLU A 74 13.382 -1.604 7.885 1.00 0.00 C ATOM 1064 CG GLU A 74 13.493 -1.249 9.358 1.00 0.00 C ATOM 1065 CD GLU A 74 14.081 -2.375 10.186 1.00 0.00 C ATOM 1066 OE1 GLU A 74 15.249 -2.743 9.943 1.00 0.00 O ATOM 1067 OE2 GLU A 74 13.372 -2.889 11.077 1.00 0.00 O ATOM 0 H GLU A 74 10.952 -1.747 7.285 1.00 0.00 H new ATOM 0 HA GLU A 74 12.841 0.437 7.484 1.00 0.00 H new ATOM 0 HB2 GLU A 74 12.857 -2.554 7.788 1.00 0.00 H new ATOM 0 HB3 GLU A 74 14.383 -1.749 7.479 1.00 0.00 H new ATOM 0 HG2 GLU A 74 14.114 -0.360 9.468 1.00 0.00 H new ATOM 0 HG3 GLU A 74 12.505 -0.998 9.743 1.00 0.00 H new ATOM 1074 N LYS A 75 12.641 -1.441 4.798 1.00 0.00 N ATOM 1075 CA LYS A 75 13.058 -1.552 3.406 1.00 0.00 C ATOM 1076 C LYS A 75 12.599 -0.340 2.602 1.00 0.00 C ATOM 1077 O LYS A 75 13.227 0.035 1.611 1.00 0.00 O ATOM 1078 CB LYS A 75 12.497 -2.833 2.784 1.00 0.00 C ATOM 1079 CG LYS A 75 13.152 -4.100 3.304 1.00 0.00 C ATOM 1080 CD LYS A 75 12.215 -5.292 3.210 1.00 0.00 C ATOM 1081 CE LYS A 75 12.058 -5.765 1.773 1.00 0.00 C ATOM 1082 NZ LYS A 75 11.221 -4.832 0.970 1.00 0.00 N ATOM 0 H LYS A 75 11.907 -2.095 5.071 1.00 0.00 H new ATOM 0 HA LYS A 75 14.147 -1.591 3.381 1.00 0.00 H new ATOM 0 HB2 LYS A 75 11.426 -2.882 2.978 1.00 0.00 H new ATOM 0 HB3 LYS A 75 12.623 -2.787 1.702 1.00 0.00 H new ATOM 0 HG2 LYS A 75 14.058 -4.303 2.733 1.00 0.00 H new ATOM 0 HG3 LYS A 75 13.454 -3.955 4.341 1.00 0.00 H new ATOM 0 HD2 LYS A 75 12.599 -6.107 3.823 1.00 0.00 H new ATOM 0 HD3 LYS A 75 11.239 -5.022 3.614 1.00 0.00 H new ATOM 0 HE2 LYS A 75 13.041 -5.859 1.312 1.00 0.00 H new ATOM 0 HE3 LYS A 75 11.606 -6.757 1.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 10.596 -5.378 0.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 10.646 -4.245 1.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 11.836 -4.220 0.397 1.00 0.00 H new ATOM 1096 N VAL A 76 11.501 0.270 3.035 1.00 0.00 N ATOM 1097 CA VAL A 76 10.959 1.442 2.357 1.00 0.00 C ATOM 1098 C VAL A 76 11.808 2.678 2.633 1.00 0.00 C ATOM 1099 O VAL A 76 12.183 3.405 1.713 1.00 0.00 O ATOM 1100 CB VAL A 76 9.508 1.721 2.792 1.00 0.00 C ATOM 1101 CG1 VAL A 76 8.983 2.982 2.123 1.00 0.00 C ATOM 1102 CG2 VAL A 76 8.618 0.529 2.475 1.00 0.00 C ATOM 0 H VAL A 76 10.969 -0.028 3.853 1.00 0.00 H new ATOM 0 HA VAL A 76 10.975 1.225 1.289 1.00 0.00 H new ATOM 0 HB VAL A 76 9.494 1.878 3.871 1.00 0.00 H new ATOM 0 HG11 VAL A 76 7.957 3.163 2.442 1.00 0.00 H new ATOM 0 HG12 VAL A 76 9.606 3.830 2.406 1.00 0.00 H new ATOM 0 HG13 VAL A 76 9.010 2.858 1.040 1.00 0.00 H new ATOM 0 HG21 VAL A 76 7.597 0.744 2.789 1.00 0.00 H new ATOM 0 HG22 VAL A 76 8.635 0.337 1.402 1.00 0.00 H new ATOM 0 HG23 VAL A 76 8.984 -0.350 3.006 1.00 0.00 H new ATOM 1112 N LYS A 77 12.108 2.910 3.906 1.00 0.00 N ATOM 1113 CA LYS A 77 12.915 4.057 4.306 1.00 0.00 C ATOM 1114 C LYS A 77 14.340 3.931 3.777 1.00 0.00 C ATOM 1115 O LYS A 77 14.938 4.912 3.335 1.00 0.00 O ATOM 1116 CB LYS A 77 12.935 4.187 5.831 1.00 0.00 C ATOM 1117 CG LYS A 77 13.584 3.006 6.532 1.00 0.00 C ATOM 1118 CD LYS A 77 13.808 3.289 8.008 1.00 0.00 C ATOM 1119 CE LYS A 77 12.539 3.071 8.817 1.00 0.00 C ATOM 1120 NZ LYS A 77 11.697 4.298 8.871 1.00 0.00 N ATOM 0 H LYS A 77 11.804 2.318 4.679 1.00 0.00 H new ATOM 0 HA LYS A 77 12.465 4.953 3.878 1.00 0.00 H new ATOM 0 HB2 LYS A 77 13.468 5.098 6.103 1.00 0.00 H new ATOM 0 HB3 LYS A 77 11.912 4.296 6.192 1.00 0.00 H new ATOM 0 HG2 LYS A 77 12.953 2.124 6.421 1.00 0.00 H new ATOM 0 HG3 LYS A 77 14.537 2.778 6.055 1.00 0.00 H new ATOM 0 HD2 LYS A 77 14.598 2.641 8.388 1.00 0.00 H new ATOM 0 HD3 LYS A 77 14.149 4.316 8.135 1.00 0.00 H new ATOM 0 HE2 LYS A 77 11.964 2.255 8.378 1.00 0.00 H new ATOM 0 HE3 LYS A 77 12.802 2.766 9.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 11.591 4.603 9.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 12.151 5.055 8.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 10.760 4.094 8.470 1.00 0.00 H new ATOM 1134 N LYS A 78 14.877 2.717 3.822 1.00 0.00 N ATOM 1135 CA LYS A 78 16.231 2.461 3.345 1.00 0.00 C ATOM 1136 C LYS A 78 16.294 2.532 1.822 1.00 0.00 C ATOM 1137 O LYS A 78 17.236 3.084 1.255 1.00 0.00 O ATOM 1138 CB LYS A 78 16.711 1.088 3.822 1.00 0.00 C ATOM 1139 CG LYS A 78 17.052 1.044 5.301 1.00 0.00 C ATOM 1140 CD LYS A 78 18.031 -0.074 5.615 1.00 0.00 C ATOM 1141 CE LYS A 78 17.319 -1.408 5.783 1.00 0.00 C ATOM 1142 NZ LYS A 78 18.263 -2.497 6.157 1.00 0.00 N ATOM 0 H LYS A 78 14.395 1.894 4.184 1.00 0.00 H new ATOM 0 HA LYS A 78 16.885 3.231 3.755 1.00 0.00 H new ATOM 0 HB2 LYS A 78 15.937 0.349 3.614 1.00 0.00 H new ATOM 0 HB3 LYS A 78 17.590 0.799 3.246 1.00 0.00 H new ATOM 0 HG2 LYS A 78 17.480 1.999 5.605 1.00 0.00 H new ATOM 0 HG3 LYS A 78 16.140 0.904 5.881 1.00 0.00 H new ATOM 0 HD2 LYS A 78 18.766 -0.151 4.814 1.00 0.00 H new ATOM 0 HD3 LYS A 78 18.578 0.165 6.527 1.00 0.00 H new ATOM 0 HE2 LYS A 78 16.550 -1.315 6.550 1.00 0.00 H new ATOM 0 HE3 LYS A 78 16.813 -1.669 4.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 17.739 -3.389 6.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 18.983 -2.603 5.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 18.727 -2.260 7.057 1.00 0.00 H new ATOM 1156 N SER A 79 15.283 1.970 1.166 1.00 0.00 N ATOM 1157 CA SER A 79 15.225 1.968 -0.291 1.00 0.00 C ATOM 1158 C SER A 79 15.785 3.269 -0.859 1.00 0.00 C ATOM 1159 O SER A 79 16.475 3.268 -1.878 1.00 0.00 O ATOM 1160 CB SER A 79 13.784 1.770 -0.765 1.00 0.00 C ATOM 1161 OG SER A 79 13.479 0.393 -0.909 1.00 0.00 O ATOM 0 H SER A 79 14.494 1.511 1.620 1.00 0.00 H new ATOM 0 HA SER A 79 15.836 1.141 -0.653 1.00 0.00 H new ATOM 0 HB2 SER A 79 13.097 2.225 -0.051 1.00 0.00 H new ATOM 0 HB3 SER A 79 13.638 2.280 -1.717 1.00 0.00 H new ATOM 0 HG SER A 79 13.642 -0.069 -0.060 1.00 0.00 H new ATOM 1167 N GLY A 80 15.482 4.378 -0.191 1.00 0.00 N ATOM 1168 CA GLY A 80 15.962 5.671 -0.643 1.00 0.00 C ATOM 1169 C GLY A 80 14.856 6.705 -0.721 1.00 0.00 C ATOM 1170 O GLY A 80 14.261 7.064 0.294 1.00 0.00 O ATOM 0 H GLY A 80 14.913 4.404 0.655 1.00 0.00 H new ATOM 0 HA2 GLY A 80 16.738 6.024 0.036 1.00 0.00 H new ATOM 0 HA3 GLY A 80 16.423 5.561 -1.625 1.00 0.00 H new ATOM 1174 N SER A 81 14.582 7.186 -1.930 1.00 0.00 N ATOM 1175 CA SER A 81 13.544 8.189 -2.135 1.00 0.00 C ATOM 1176 C SER A 81 12.350 7.592 -2.874 1.00 0.00 C ATOM 1177 O SER A 81 11.204 7.974 -2.635 1.00 0.00 O ATOM 1178 CB SER A 81 14.103 9.377 -2.922 1.00 0.00 C ATOM 1179 OG SER A 81 15.015 10.124 -2.137 1.00 0.00 O ATOM 0 H SER A 81 15.064 6.897 -2.781 1.00 0.00 H new ATOM 0 HA SER A 81 13.208 8.535 -1.157 1.00 0.00 H new ATOM 0 HB2 SER A 81 14.602 9.019 -3.822 1.00 0.00 H new ATOM 0 HB3 SER A 81 13.285 10.020 -3.246 1.00 0.00 H new ATOM 0 HG SER A 81 15.359 10.876 -2.663 1.00 0.00 H new ATOM 1185 N ARG A 82 12.627 6.653 -3.772 1.00 0.00 N ATOM 1186 CA ARG A 82 11.577 6.003 -4.547 1.00 0.00 C ATOM 1187 C ARG A 82 11.525 4.508 -4.246 1.00 0.00 C ATOM 1188 O ARG A 82 12.505 3.923 -3.783 1.00 0.00 O ATOM 1189 CB ARG A 82 11.807 6.225 -6.043 1.00 0.00 C ATOM 1190 CG ARG A 82 12.102 7.671 -6.406 1.00 0.00 C ATOM 1191 CD ARG A 82 12.827 7.774 -7.739 1.00 0.00 C ATOM 1192 NE ARG A 82 12.820 9.137 -8.262 1.00 0.00 N ATOM 1193 CZ ARG A 82 13.499 9.514 -9.340 1.00 0.00 C ATOM 1194 NH1 ARG A 82 14.234 8.634 -10.006 1.00 0.00 N ATOM 1195 NH2 ARG A 82 13.442 10.774 -9.754 1.00 0.00 N ATOM 0 H ARG A 82 13.570 6.325 -3.981 1.00 0.00 H new ATOM 0 HA ARG A 82 10.623 6.447 -4.263 1.00 0.00 H new ATOM 0 HB2 ARG A 82 12.638 5.600 -6.371 1.00 0.00 H new ATOM 0 HB3 ARG A 82 10.924 5.895 -6.591 1.00 0.00 H new ATOM 0 HG2 ARG A 82 11.169 8.233 -6.454 1.00 0.00 H new ATOM 0 HG3 ARG A 82 12.709 8.127 -5.624 1.00 0.00 H new ATOM 0 HD2 ARG A 82 13.857 7.437 -7.619 1.00 0.00 H new ATOM 0 HD3 ARG A 82 12.356 7.107 -8.460 1.00 0.00 H new ATOM 0 HE ARG A 82 12.263 9.838 -7.773 1.00 0.00 H new ATOM 0 HH11 ARG A 82 14.279 7.665 -9.691 1.00 0.00 H new ATOM 0 HH12 ARG A 82 14.754 8.926 -10.833 1.00 0.00 H new ATOM 0 HH21 ARG A 82 12.877 11.453 -9.244 1.00 0.00 H new ATOM 0 HH22 ARG A 82 13.963 11.063 -10.582 1.00 0.00 H new ATOM 1209 N VAL A 83 10.375 3.896 -4.511 1.00 0.00 N ATOM 1210 CA VAL A 83 10.195 2.469 -4.269 1.00 0.00 C ATOM 1211 C VAL A 83 9.217 1.861 -5.268 1.00 0.00 C ATOM 1212 O VAL A 83 8.419 2.570 -5.880 1.00 0.00 O ATOM 1213 CB VAL A 83 9.684 2.203 -2.840 1.00 0.00 C ATOM 1214 CG1 VAL A 83 10.770 2.505 -1.819 1.00 0.00 C ATOM 1215 CG2 VAL A 83 8.434 3.023 -2.560 1.00 0.00 C ATOM 0 H VAL A 83 9.554 4.366 -4.893 1.00 0.00 H new ATOM 0 HA VAL A 83 11.172 2.001 -4.391 1.00 0.00 H new ATOM 0 HB VAL A 83 9.424 1.148 -2.756 1.00 0.00 H new ATOM 0 HG11 VAL A 83 10.390 2.311 -0.816 1.00 0.00 H new ATOM 0 HG12 VAL A 83 11.635 1.869 -2.009 1.00 0.00 H new ATOM 0 HG13 VAL A 83 11.064 3.551 -1.900 1.00 0.00 H new ATOM 0 HG21 VAL A 83 8.087 2.823 -1.546 1.00 0.00 H new ATOM 0 HG22 VAL A 83 8.664 4.084 -2.662 1.00 0.00 H new ATOM 0 HG23 VAL A 83 7.654 2.751 -3.271 1.00 0.00 H new ATOM 1225 N MET A 84 9.286 0.544 -5.428 1.00 0.00 N ATOM 1226 CA MET A 84 8.405 -0.160 -6.353 1.00 0.00 C ATOM 1227 C MET A 84 7.502 -1.136 -5.606 1.00 0.00 C ATOM 1228 O MET A 84 7.944 -2.202 -5.177 1.00 0.00 O ATOM 1229 CB MET A 84 9.227 -0.909 -7.404 1.00 0.00 C ATOM 1230 CG MET A 84 8.400 -1.849 -8.266 1.00 0.00 C ATOM 1231 SD MET A 84 9.395 -3.137 -9.042 1.00 0.00 S ATOM 1232 CE MET A 84 10.652 -2.151 -9.851 1.00 0.00 C ATOM 0 H MET A 84 9.942 -0.057 -4.930 1.00 0.00 H new ATOM 0 HA MET A 84 7.778 0.579 -6.852 1.00 0.00 H new ATOM 0 HB2 MET A 84 9.726 -0.184 -8.047 1.00 0.00 H new ATOM 0 HB3 MET A 84 10.008 -1.481 -6.903 1.00 0.00 H new ATOM 0 HG2 MET A 84 7.627 -2.312 -7.653 1.00 0.00 H new ATOM 0 HG3 MET A 84 7.891 -1.273 -9.039 1.00 0.00 H new ATOM 0 HE1 MET A 84 11.180 -2.763 -10.582 1.00 0.00 H new ATOM 0 HE2 MET A 84 10.183 -1.306 -10.356 1.00 0.00 H new ATOM 0 HE3 MET A 84 11.359 -1.783 -9.108 1.00 0.00 H new ATOM 1242 N PHE A 85 6.235 -0.766 -5.454 1.00 0.00 N ATOM 1243 CA PHE A 85 5.270 -1.608 -4.758 1.00 0.00 C ATOM 1244 C PHE A 85 4.433 -2.411 -5.750 1.00 0.00 C ATOM 1245 O PHE A 85 3.883 -1.859 -6.705 1.00 0.00 O ATOM 1246 CB PHE A 85 4.356 -0.754 -3.877 1.00 0.00 C ATOM 1247 CG PHE A 85 5.075 -0.085 -2.740 1.00 0.00 C ATOM 1248 CD1 PHE A 85 5.532 -0.824 -1.661 1.00 0.00 C ATOM 1249 CD2 PHE A 85 5.293 1.284 -2.750 1.00 0.00 C ATOM 1250 CE1 PHE A 85 6.194 -0.211 -0.613 1.00 0.00 C ATOM 1251 CE2 PHE A 85 5.954 1.902 -1.706 1.00 0.00 C ATOM 1252 CZ PHE A 85 6.405 1.153 -0.636 1.00 0.00 C ATOM 0 H PHE A 85 5.852 0.112 -5.804 1.00 0.00 H new ATOM 0 HA PHE A 85 5.823 -2.305 -4.128 1.00 0.00 H new ATOM 0 HB2 PHE A 85 3.879 0.008 -4.493 1.00 0.00 H new ATOM 0 HB3 PHE A 85 3.561 -1.382 -3.475 1.00 0.00 H new ATOM 0 HD1 PHE A 85 5.369 -1.891 -1.638 1.00 0.00 H new ATOM 0 HD2 PHE A 85 4.942 1.874 -3.584 1.00 0.00 H new ATOM 0 HE1 PHE A 85 6.545 -0.799 0.222 1.00 0.00 H new ATOM 0 HE2 PHE A 85 6.118 2.969 -1.726 1.00 0.00 H new ATOM 0 HZ PHE A 85 6.922 1.634 0.181 1.00 0.00 H new ATOM 1262 N LEU A 86 4.341 -3.715 -5.518 1.00 0.00 N ATOM 1263 CA LEU A 86 3.571 -4.595 -6.391 1.00 0.00 C ATOM 1264 C LEU A 86 2.499 -5.342 -5.603 1.00 0.00 C ATOM 1265 O LEU A 86 2.808 -6.155 -4.731 1.00 0.00 O ATOM 1266 CB LEU A 86 4.498 -5.594 -7.086 1.00 0.00 C ATOM 1267 CG LEU A 86 3.825 -6.585 -8.036 1.00 0.00 C ATOM 1268 CD1 LEU A 86 3.498 -5.915 -9.362 1.00 0.00 C ATOM 1269 CD2 LEU A 86 4.713 -7.801 -8.255 1.00 0.00 C ATOM 0 H LEU A 86 4.790 -4.187 -4.733 1.00 0.00 H new ATOM 0 HA LEU A 86 3.079 -3.980 -7.144 1.00 0.00 H new ATOM 0 HB2 LEU A 86 5.247 -5.035 -7.647 1.00 0.00 H new ATOM 0 HB3 LEU A 86 5.030 -6.159 -6.320 1.00 0.00 H new ATOM 0 HG LEU A 86 2.892 -6.919 -7.581 1.00 0.00 H new ATOM 0 HD11 LEU A 86 3.020 -6.635 -10.025 1.00 0.00 H new ATOM 0 HD12 LEU A 86 2.823 -5.077 -9.189 1.00 0.00 H new ATOM 0 HD13 LEU A 86 4.417 -5.552 -9.823 1.00 0.00 H new ATOM 0 HD21 LEU A 86 4.218 -8.496 -8.934 1.00 0.00 H new ATOM 0 HD22 LEU A 86 5.662 -7.485 -8.688 1.00 0.00 H new ATOM 0 HD23 LEU A 86 4.896 -8.295 -7.301 1.00 0.00 H new ATOM 1281 N LEU A 87 1.239 -5.062 -5.918 1.00 0.00 N ATOM 1282 CA LEU A 87 0.120 -5.709 -5.241 1.00 0.00 C ATOM 1283 C LEU A 87 -0.995 -6.040 -6.228 1.00 0.00 C ATOM 1284 O LEU A 87 -0.969 -5.604 -7.379 1.00 0.00 O ATOM 1285 CB LEU A 87 -0.418 -4.808 -4.128 1.00 0.00 C ATOM 1286 CG LEU A 87 0.607 -3.909 -3.437 1.00 0.00 C ATOM 1287 CD1 LEU A 87 0.793 -2.616 -4.214 1.00 0.00 C ATOM 1288 CD2 LEU A 87 0.181 -3.617 -2.006 1.00 0.00 C ATOM 0 H LEU A 87 0.967 -4.392 -6.637 1.00 0.00 H new ATOM 0 HA LEU A 87 0.480 -6.640 -4.803 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -1.202 -4.176 -4.546 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -0.886 -5.439 -3.372 1.00 0.00 H new ATOM 0 HG LEU A 87 1.562 -4.433 -3.411 1.00 0.00 H new ATOM 0 HD11 LEU A 87 1.526 -1.989 -3.707 1.00 0.00 H new ATOM 0 HD12 LEU A 87 1.144 -2.844 -5.220 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -0.158 -2.087 -4.273 1.00 0.00 H new ATOM 0 HD21 LEU A 87 0.922 -2.976 -1.529 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -0.786 -3.113 -2.010 1.00 0.00 H new ATOM 0 HD23 LEU A 87 0.101 -4.552 -1.452 1.00 0.00 H new ATOM 1300 N VAL A 88 -1.974 -6.813 -5.768 1.00 0.00 N ATOM 1301 CA VAL A 88 -3.101 -7.200 -6.609 1.00 0.00 C ATOM 1302 C VAL A 88 -4.367 -6.451 -6.210 1.00 0.00 C ATOM 1303 O VAL A 88 -4.510 -6.016 -5.067 1.00 0.00 O ATOM 1304 CB VAL A 88 -3.367 -8.715 -6.529 1.00 0.00 C ATOM 1305 CG1 VAL A 88 -4.378 -9.136 -7.584 1.00 0.00 C ATOM 1306 CG2 VAL A 88 -2.068 -9.492 -6.683 1.00 0.00 C ATOM 0 H VAL A 88 -2.009 -7.183 -4.818 1.00 0.00 H new ATOM 0 HA VAL A 88 -2.836 -6.939 -7.633 1.00 0.00 H new ATOM 0 HB VAL A 88 -3.786 -8.942 -5.549 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -4.553 -10.209 -7.512 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -5.315 -8.604 -7.423 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -3.991 -8.897 -8.575 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -2.274 -10.561 -6.624 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -1.619 -9.262 -7.649 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -1.379 -9.211 -5.886 1.00 0.00 H new ATOM 1316 N ASP A 89 -5.285 -6.304 -7.159 1.00 0.00 N ATOM 1317 CA ASP A 89 -6.542 -5.608 -6.907 1.00 0.00 C ATOM 1318 C ASP A 89 -7.368 -6.343 -5.856 1.00 0.00 C ATOM 1319 O ASP A 89 -7.264 -7.561 -5.709 1.00 0.00 O ATOM 1320 CB ASP A 89 -7.344 -5.474 -8.202 1.00 0.00 C ATOM 1321 CG ASP A 89 -8.221 -4.237 -8.214 1.00 0.00 C ATOM 1322 OD1 ASP A 89 -8.884 -3.970 -7.190 1.00 0.00 O ATOM 1323 OD2 ASP A 89 -8.243 -3.536 -9.247 1.00 0.00 O ATOM 0 H ASP A 89 -5.182 -6.658 -8.110 1.00 0.00 H new ATOM 0 HA ASP A 89 -6.309 -4.613 -6.529 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -6.658 -5.438 -9.049 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -7.967 -6.359 -8.334 1.00 0.00 H new ATOM 1328 N LYS A 90 -8.188 -5.595 -5.126 1.00 0.00 N ATOM 1329 CA LYS A 90 -9.033 -6.173 -4.088 1.00 0.00 C ATOM 1330 C LYS A 90 -10.096 -7.083 -4.696 1.00 0.00 C ATOM 1331 O LYS A 90 -10.513 -8.062 -4.080 1.00 0.00 O ATOM 1332 CB LYS A 90 -9.701 -5.067 -3.269 1.00 0.00 C ATOM 1333 CG LYS A 90 -10.844 -4.379 -3.995 1.00 0.00 C ATOM 1334 CD LYS A 90 -11.656 -3.504 -3.055 1.00 0.00 C ATOM 1335 CE LYS A 90 -12.322 -2.356 -3.797 1.00 0.00 C ATOM 1336 NZ LYS A 90 -13.423 -1.746 -3.002 1.00 0.00 N ATOM 0 H LYS A 90 -8.285 -4.585 -5.234 1.00 0.00 H new ATOM 0 HA LYS A 90 -8.401 -6.770 -3.431 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -10.076 -5.492 -2.338 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -8.952 -4.322 -3.000 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -10.446 -3.771 -4.807 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -11.493 -5.129 -4.447 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -12.416 -4.108 -2.560 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -11.007 -3.106 -2.275 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -11.578 -1.595 -4.031 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -12.717 -2.718 -4.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -13.851 -0.967 -3.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -14.146 -2.466 -2.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -13.042 -1.378 -2.107 1.00 0.00 H new ATOM 1350 N GLU A 91 -10.528 -6.752 -5.909 1.00 0.00 N ATOM 1351 CA GLU A 91 -11.542 -7.540 -6.600 1.00 0.00 C ATOM 1352 C GLU A 91 -10.933 -8.806 -7.196 1.00 0.00 C ATOM 1353 O GLU A 91 -11.485 -9.899 -7.059 1.00 0.00 O ATOM 1354 CB GLU A 91 -12.201 -6.710 -7.703 1.00 0.00 C ATOM 1355 CG GLU A 91 -13.337 -5.831 -7.206 1.00 0.00 C ATOM 1356 CD GLU A 91 -14.336 -5.497 -8.296 1.00 0.00 C ATOM 1357 OE1 GLU A 91 -14.545 -6.344 -9.190 1.00 0.00 O ATOM 1358 OE2 GLU A 91 -14.911 -4.389 -8.254 1.00 0.00 O ATOM 0 H GLU A 91 -10.192 -5.944 -6.433 1.00 0.00 H new ATOM 0 HA GLU A 91 -12.300 -7.829 -5.872 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -11.445 -6.081 -8.174 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -12.582 -7.381 -8.473 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -13.852 -6.337 -6.389 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -12.925 -4.907 -6.800 1.00 0.00 H new ATOM 1365 N THR A 92 -9.792 -8.652 -7.860 1.00 0.00 N ATOM 1366 CA THR A 92 -9.109 -9.780 -8.480 1.00 0.00 C ATOM 1367 C THR A 92 -8.777 -10.854 -7.450 1.00 0.00 C ATOM 1368 O THR A 92 -9.083 -12.031 -7.646 1.00 0.00 O ATOM 1369 CB THR A 92 -7.810 -9.336 -9.178 1.00 0.00 C ATOM 1370 OG1 THR A 92 -8.113 -8.436 -10.250 1.00 0.00 O ATOM 1371 CG2 THR A 92 -7.048 -10.537 -9.718 1.00 0.00 C ATOM 0 H THR A 92 -9.321 -7.756 -7.982 1.00 0.00 H new ATOM 0 HA THR A 92 -9.790 -10.192 -9.225 1.00 0.00 H new ATOM 0 HB THR A 92 -7.184 -8.829 -8.444 1.00 0.00 H new ATOM 0 HG1 THR A 92 -7.282 -8.157 -10.688 1.00 0.00 H new ATOM 0 HG21 THR A 92 -6.134 -10.199 -10.207 1.00 0.00 H new ATOM 0 HG22 THR A 92 -6.793 -11.206 -8.896 1.00 0.00 H new ATOM 0 HG23 THR A 92 -7.670 -11.068 -10.439 1.00 0.00 H new ATOM 1379 N ASP A 93 -8.152 -10.442 -6.353 1.00 0.00 N ATOM 1380 CA ASP A 93 -7.780 -11.370 -5.291 1.00 0.00 C ATOM 1381 C ASP A 93 -9.020 -11.946 -4.614 1.00 0.00 C ATOM 1382 O ASP A 93 -10.146 -11.557 -4.922 1.00 0.00 O ATOM 1383 CB ASP A 93 -6.899 -10.667 -4.256 1.00 0.00 C ATOM 1384 CG ASP A 93 -7.710 -10.006 -3.159 1.00 0.00 C ATOM 1385 OD1 ASP A 93 -8.447 -10.724 -2.452 1.00 0.00 O ATOM 1386 OD2 ASP A 93 -7.608 -8.771 -3.008 1.00 0.00 O ATOM 0 H ASP A 93 -7.892 -9.472 -6.176 1.00 0.00 H new ATOM 0 HA ASP A 93 -7.218 -12.190 -5.739 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -6.216 -11.391 -3.813 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -6.287 -9.915 -4.755 1.00 0.00 H new ATOM 1391 N LYS A 94 -8.805 -12.878 -3.691 1.00 0.00 N ATOM 1392 CA LYS A 94 -9.904 -13.509 -2.970 1.00 0.00 C ATOM 1393 C LYS A 94 -9.609 -13.570 -1.475 1.00 0.00 C ATOM 1394 O LYS A 94 -8.545 -14.033 -1.061 1.00 0.00 O ATOM 1395 CB LYS A 94 -10.152 -14.919 -3.510 1.00 0.00 C ATOM 1396 CG LYS A 94 -11.020 -14.948 -4.756 1.00 0.00 C ATOM 1397 CD LYS A 94 -11.303 -16.372 -5.205 1.00 0.00 C ATOM 1398 CE LYS A 94 -11.946 -16.405 -6.583 1.00 0.00 C ATOM 1399 NZ LYS A 94 -12.055 -17.793 -7.112 1.00 0.00 N ATOM 0 H LYS A 94 -7.879 -13.213 -3.425 1.00 0.00 H new ATOM 0 HA LYS A 94 -10.799 -12.906 -3.122 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -9.194 -15.387 -3.734 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -10.626 -15.519 -2.733 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -11.961 -14.434 -4.557 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -10.523 -14.404 -5.559 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -10.373 -16.941 -5.223 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -11.960 -16.858 -4.484 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -12.938 -15.957 -6.531 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -11.358 -15.799 -7.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -12.498 -17.772 -8.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -11.106 -18.212 -7.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -12.637 -18.365 -6.468 1.00 0.00 H new ATOM 1413 N ARG A 95 -10.557 -13.103 -0.669 1.00 0.00 N ATOM 1414 CA ARG A 95 -10.398 -13.106 0.780 1.00 0.00 C ATOM 1415 C ARG A 95 -11.445 -13.999 1.440 1.00 0.00 C ATOM 1416 O ARG A 95 -12.334 -14.529 0.773 1.00 0.00 O ATOM 1417 CB ARG A 95 -10.508 -11.683 1.329 1.00 0.00 C ATOM 1418 CG ARG A 95 -11.826 -11.002 0.998 1.00 0.00 C ATOM 1419 CD ARG A 95 -11.875 -9.585 1.550 1.00 0.00 C ATOM 1420 NE ARG A 95 -13.242 -9.156 1.833 1.00 0.00 N ATOM 1421 CZ ARG A 95 -13.546 -7.983 2.378 1.00 0.00 C ATOM 1422 NH1 ARG A 95 -12.584 -7.128 2.697 1.00 0.00 N ATOM 1423 NH2 ARG A 95 -14.814 -7.664 2.605 1.00 0.00 N ATOM 0 H ARG A 95 -11.443 -12.718 -0.995 1.00 0.00 H new ATOM 0 HA ARG A 95 -9.409 -13.502 1.011 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -10.385 -11.710 2.412 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -9.689 -11.084 0.930 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -11.963 -10.977 -0.083 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -12.651 -11.583 1.410 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -11.281 -9.531 2.463 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -11.421 -8.901 0.833 1.00 0.00 H new ATOM 0 HE ARG A 95 -14.005 -9.791 1.600 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -11.608 -7.370 2.524 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -12.820 -6.228 3.115 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -15.556 -8.320 2.361 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -15.046 -6.763 3.023 1.00 0.00 H new ATOM 1437 N HIS A 96 -11.332 -14.162 2.754 1.00 0.00 N ATOM 1438 CA HIS A 96 -12.269 -14.991 3.505 1.00 0.00 C ATOM 1439 C HIS A 96 -13.675 -14.403 3.455 1.00 0.00 C ATOM 1440 O HIS A 96 -14.018 -13.519 4.240 1.00 0.00 O ATOM 1441 CB HIS A 96 -11.811 -15.127 4.958 1.00 0.00 C ATOM 1442 CG HIS A 96 -10.412 -15.642 5.099 1.00 0.00 C ATOM 1443 ND1 HIS A 96 -10.120 -16.962 5.371 1.00 0.00 N ATOM 1444 CD2 HIS A 96 -9.221 -15.007 5.004 1.00 0.00 C ATOM 1445 CE1 HIS A 96 -8.809 -17.116 5.438 1.00 0.00 C ATOM 1446 NE2 HIS A 96 -8.241 -15.944 5.218 1.00 0.00 N ATOM 0 H HIS A 96 -10.602 -13.731 3.321 1.00 0.00 H new ATOM 0 HA HIS A 96 -12.291 -15.979 3.045 1.00 0.00 H new ATOM 0 HB2 HIS A 96 -11.882 -14.155 5.445 1.00 0.00 H new ATOM 0 HB3 HIS A 96 -12.491 -15.798 5.483 1.00 0.00 H new ATOM 0 HD2 HIS A 96 -9.070 -13.958 4.798 1.00 0.00 H new ATOM 0 HE1 HIS A 96 -8.291 -18.042 5.638 1.00 0.00 H new ATOM 0 HE2 HIS A 96 -7.237 -15.764 5.209 1.00 0.00 H new ATOM 1455 N VAL A 97 -14.487 -14.900 2.526 1.00 0.00 N ATOM 1456 CA VAL A 97 -15.857 -14.424 2.374 1.00 0.00 C ATOM 1457 C VAL A 97 -16.839 -15.337 3.098 1.00 0.00 C ATOM 1458 O VAL A 97 -16.977 -16.511 2.755 1.00 0.00 O ATOM 1459 CB VAL A 97 -16.257 -14.330 0.890 1.00 0.00 C ATOM 1460 CG1 VAL A 97 -17.701 -13.874 0.754 1.00 0.00 C ATOM 1461 CG2 VAL A 97 -15.320 -13.392 0.144 1.00 0.00 C ATOM 0 H VAL A 97 -14.219 -15.632 1.868 1.00 0.00 H new ATOM 0 HA VAL A 97 -15.898 -13.429 2.817 1.00 0.00 H new ATOM 0 HB VAL A 97 -16.171 -15.321 0.445 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -17.966 -13.813 -0.302 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -18.357 -14.588 1.252 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -17.818 -12.893 1.214 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -15.617 -13.338 -0.903 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -15.371 -12.398 0.588 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -14.299 -13.768 0.212 1.00 0.00 H new ATOM 1471 N GLU A 98 -17.520 -14.790 4.100 1.00 0.00 N ATOM 1472 CA GLU A 98 -18.491 -15.557 4.872 1.00 0.00 C ATOM 1473 C GLU A 98 -19.493 -14.633 5.558 1.00 0.00 C ATOM 1474 O GLU A 98 -19.253 -13.434 5.695 1.00 0.00 O ATOM 1475 CB GLU A 98 -17.778 -16.420 5.915 1.00 0.00 C ATOM 1476 CG GLU A 98 -17.202 -15.623 7.073 1.00 0.00 C ATOM 1477 CD GLU A 98 -16.586 -16.507 8.141 1.00 0.00 C ATOM 1478 OE1 GLU A 98 -15.655 -17.272 7.814 1.00 0.00 O ATOM 1479 OE2 GLU A 98 -17.036 -16.433 9.303 1.00 0.00 O ATOM 0 H GLU A 98 -17.417 -13.819 4.396 1.00 0.00 H new ATOM 0 HA GLU A 98 -19.034 -16.205 4.184 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -18.480 -17.157 6.306 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -16.974 -16.972 5.429 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -16.445 -14.935 6.695 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -17.990 -15.016 7.519 1.00 0.00 H new ATOM 1486 N GLN A 99 -20.615 -15.201 5.987 1.00 0.00 N ATOM 1487 CA GLN A 99 -21.654 -14.428 6.658 1.00 0.00 C ATOM 1488 C GLN A 99 -21.069 -13.609 7.803 1.00 0.00 C ATOM 1489 O GLN A 99 -21.014 -14.067 8.944 1.00 0.00 O ATOM 1490 CB GLN A 99 -22.749 -15.356 7.186 1.00 0.00 C ATOM 1491 CG GLN A 99 -22.238 -16.730 7.592 1.00 0.00 C ATOM 1492 CD GLN A 99 -22.271 -17.726 6.450 1.00 0.00 C ATOM 1493 OE1 GLN A 99 -22.831 -17.452 5.388 1.00 0.00 O ATOM 1494 NE2 GLN A 99 -21.669 -18.890 6.662 1.00 0.00 N ATOM 0 H GLN A 99 -20.828 -16.193 5.882 1.00 0.00 H new ATOM 0 HA GLN A 99 -22.089 -13.742 5.930 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -23.228 -14.887 8.045 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -23.515 -15.474 6.419 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -21.216 -16.639 7.960 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -22.842 -17.109 8.417 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -21.217 -19.075 7.558 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -21.658 -19.600 5.929 1.00 0.00 H new ATOM 1503 N LYS A 100 -20.631 -12.394 7.491 1.00 0.00 N ATOM 1504 CA LYS A 100 -20.050 -11.509 8.494 1.00 0.00 C ATOM 1505 C LYS A 100 -20.954 -11.406 9.718 1.00 0.00 C ATOM 1506 O LYS A 100 -22.151 -11.683 9.643 1.00 0.00 O ATOM 1507 CB LYS A 100 -19.816 -10.117 7.901 1.00 0.00 C ATOM 1508 CG LYS A 100 -18.899 -10.118 6.690 1.00 0.00 C ATOM 1509 CD LYS A 100 -18.459 -8.711 6.323 1.00 0.00 C ATOM 1510 CE LYS A 100 -17.291 -8.729 5.349 1.00 0.00 C ATOM 1511 NZ LYS A 100 -15.989 -8.916 6.048 1.00 0.00 N ATOM 0 H LYS A 100 -20.667 -11.999 6.551 1.00 0.00 H new ATOM 0 HA LYS A 100 -19.094 -11.931 8.805 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -20.776 -9.685 7.619 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -19.390 -9.471 8.669 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -18.022 -10.732 6.897 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -19.414 -10.572 5.843 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -19.296 -8.171 5.880 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -18.173 -8.171 7.226 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -17.434 -9.532 4.626 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -17.271 -7.795 4.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -15.218 -8.923 5.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -15.841 -8.136 6.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -15.998 -9.820 6.563 1.00 0.00 H new ATOM 1525 N SER A 101 -20.373 -11.005 10.845 1.00 0.00 N ATOM 1526 CA SER A 101 -21.126 -10.868 12.086 1.00 0.00 C ATOM 1527 C SER A 101 -21.172 -9.410 12.536 1.00 0.00 C ATOM 1528 O SER A 101 -20.178 -8.690 12.446 1.00 0.00 O ATOM 1529 CB SER A 101 -20.503 -11.733 13.183 1.00 0.00 C ATOM 1530 OG SER A 101 -21.464 -12.081 14.165 1.00 0.00 O ATOM 0 H SER A 101 -19.384 -10.770 10.924 1.00 0.00 H new ATOM 0 HA SER A 101 -22.146 -11.205 11.902 1.00 0.00 H new ATOM 0 HB2 SER A 101 -20.084 -12.638 12.743 1.00 0.00 H new ATOM 0 HB3 SER A 101 -19.679 -11.195 13.651 1.00 0.00 H new ATOM 0 HG SER A 101 -21.042 -12.635 14.854 1.00 0.00 H new ATOM 1536 N GLY A 102 -22.334 -8.983 13.020 1.00 0.00 N ATOM 1537 CA GLY A 102 -22.489 -7.614 13.477 1.00 0.00 C ATOM 1538 C GLY A 102 -22.361 -7.487 14.982 1.00 0.00 C ATOM 1539 O GLY A 102 -21.776 -8.339 15.651 1.00 0.00 O ATOM 0 H GLY A 102 -23.171 -9.560 13.104 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -21.737 -6.987 12.997 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -23.464 -7.238 13.165 1.00 0.00 H new ATOM 1543 N PRO A 103 -22.916 -6.400 15.537 1.00 0.00 N ATOM 1544 CA PRO A 103 -22.874 -6.138 16.979 1.00 0.00 C ATOM 1545 C PRO A 103 -23.745 -7.107 17.770 1.00 0.00 C ATOM 1546 O PRO A 103 -24.862 -7.426 17.363 1.00 0.00 O ATOM 1547 CB PRO A 103 -23.418 -4.712 17.096 1.00 0.00 C ATOM 1548 CG PRO A 103 -24.274 -4.532 15.890 1.00 0.00 C ATOM 1549 CD PRO A 103 -23.629 -5.342 14.800 1.00 0.00 C ATOM 0 HA PRO A 103 -21.871 -6.261 17.387 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -23.993 -4.582 18.013 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -22.610 -3.981 17.120 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -25.292 -4.873 16.079 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -24.337 -3.481 15.610 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -24.369 -5.758 14.117 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -22.946 -4.739 14.202 1.00 0.00 H new ATOM 1557 N SER A 104 -23.227 -7.572 18.902 1.00 0.00 N ATOM 1558 CA SER A 104 -23.957 -8.508 19.749 1.00 0.00 C ATOM 1559 C SER A 104 -24.263 -7.886 21.108 1.00 0.00 C ATOM 1560 O SER A 104 -23.399 -7.267 21.729 1.00 0.00 O ATOM 1561 CB SER A 104 -23.151 -9.796 19.935 1.00 0.00 C ATOM 1562 OG SER A 104 -22.935 -10.445 18.694 1.00 0.00 O ATOM 0 H SER A 104 -22.305 -7.316 19.254 1.00 0.00 H new ATOM 0 HA SER A 104 -24.900 -8.746 19.257 1.00 0.00 H new ATOM 0 HB2 SER A 104 -22.193 -9.565 20.400 1.00 0.00 H new ATOM 0 HB3 SER A 104 -23.681 -10.466 20.612 1.00 0.00 H new ATOM 0 HG SER A 104 -22.417 -11.264 18.839 1.00 0.00 H new ATOM 1568 N SER A 105 -25.500 -8.056 21.565 1.00 0.00 N ATOM 1569 CA SER A 105 -25.923 -7.508 22.848 1.00 0.00 C ATOM 1570 C SER A 105 -26.832 -8.488 23.584 1.00 0.00 C ATOM 1571 O SER A 105 -27.639 -9.184 22.969 1.00 0.00 O ATOM 1572 CB SER A 105 -26.647 -6.177 22.645 1.00 0.00 C ATOM 1573 OG SER A 105 -25.732 -5.139 22.339 1.00 0.00 O ATOM 0 H SER A 105 -26.226 -8.569 21.065 1.00 0.00 H new ATOM 0 HA SER A 105 -25.033 -7.340 23.454 1.00 0.00 H new ATOM 0 HB2 SER A 105 -27.374 -6.274 21.839 1.00 0.00 H new ATOM 0 HB3 SER A 105 -27.203 -5.921 23.547 1.00 0.00 H new ATOM 0 HG SER A 105 -26.221 -4.299 22.212 1.00 0.00 H new ATOM 1579 N GLY A 106 -26.694 -8.536 24.905 1.00 0.00 N ATOM 1580 CA GLY A 106 -27.509 -9.433 25.704 1.00 0.00 C ATOM 1581 C GLY A 106 -26.677 -10.328 26.602 1.00 0.00 C ATOM 1582 O GLY A 106 -26.605 -10.109 27.811 1.00 0.00 O ATOM 0 H GLY A 106 -26.033 -7.970 25.437 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -28.196 -8.847 26.315 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -28.118 -10.051 25.044 1.00 0.00 H new TER 1586 GLY A 106