USER MOD reduce.3.24.130724 H: found=0, std=0, add=797, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 797 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 73 LYS NZ :NH3+ -156:sc= -0.076 (180deg=-0.564) USER MOD Set 1.2: A 75 TYR OH : rot 174:sc= -0.682 USER MOD Set 2.1: A 53 GLN : amide:sc= -2.48 K(o=-3,f=-9.8!) USER MOD Set 2.2: A 61 TYR OH : rot 180:sc= -0.511 USER MOD Set 3.1: A 52 GLN :FLIP amide:sc= -0.659 F(o=-2.6!,f=-0.66) USER MOD Set 3.2: A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl -115:sc= -0.0615 (180deg=-1.42!) USER MOD Single : A 1 MET N :NH3+ -132:sc= -0.491 (180deg=-0.899) 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 17 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 HIS :FLIP no HD1:sc= -3.33! C(o=-8!,f=-3.3!) USER MOD Single : A 32 THR OG1 : rot 88:sc= 0.521 USER MOD Single : A 34 HIS :FLIP no HD1:sc= -6.43! C(o=-7.5!,f=-6.4!) USER MOD Single : A 35 ASN :FLIP amide:sc= -8.85! C(o=-12!,f=-8.8!) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 ASN : amide:sc= -0.135 K(o=-0.14,f=-0.75) USER MOD Single : A 40 SER OG : rot 180:sc= -1.31 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot 35:sc= 0.623 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 145:sc= -1.06 (180deg=-2.67!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 143:sc= -5.22! (180deg=-9.12!) USER MOD Single : A 82 LYS NZ :NH3+ -147:sc= 1.6 (180deg=0.978) USER MOD Single : A 85 MET CE :methyl -145:sc= -0.582 (180deg=-2.07) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 GLN : amide:sc= -0.831 K(o=-0.83,f=-1.9!) USER MOD Single : A 94 LYS NZ :NH3+ 150:sc= -0.0231 (180deg=-0.401) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 101 ASN : amide:sc= 0.371 K(o=0.37,f=-5!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -8.596 -0.890 30.925 1.00 0.00 N ATOM 2 CA MET A 1 -8.149 -2.138 31.511 1.00 0.00 C ATOM 3 C MET A 1 -7.222 -2.860 30.545 1.00 0.00 C ATOM 4 O MET A 1 -6.223 -3.446 30.957 1.00 0.00 O ATOM 5 CB MET A 1 -9.360 -3.004 31.846 1.00 0.00 C ATOM 6 CG MET A 1 -10.114 -3.344 30.563 1.00 0.00 C ATOM 7 SD MET A 1 -10.191 -5.116 30.203 1.00 0.00 S ATOM 8 CE MET A 1 -11.253 -5.068 28.739 1.00 0.00 C ATOM 0 H1 MET A 1 -8.483 -0.122 31.617 1.00 0.00 H new ATOM 0 H2 MET A 1 -8.029 -0.681 30.079 1.00 0.00 H new ATOM 0 H3 MET A 1 -9.598 -0.971 30.658 1.00 0.00 H new ATOM 0 HA MET A 1 -7.597 -1.935 32.429 1.00 0.00 H new ATOM 0 HB2 MET A 1 -9.039 -3.918 32.345 1.00 0.00 H new ATOM 0 HB3 MET A 1 -10.017 -2.477 32.538 1.00 0.00 H new ATOM 0 HG2 MET A 1 -11.129 -2.954 30.636 1.00 0.00 H new ATOM 0 HG3 MET A 1 -9.636 -2.834 29.727 1.00 0.00 H new ATOM 0 HE1 MET A 1 -12.196 -5.569 28.957 1.00 0.00 H new ATOM 0 HE2 MET A 1 -11.447 -4.031 28.464 1.00 0.00 H new ATOM 0 HE3 MET A 1 -10.756 -5.575 27.912 1.00 0.00 H new ATOM 20 N SER A 2 -7.555 -2.817 29.252 1.00 0.00 N ATOM 21 CA SER A 2 -6.752 -3.465 28.235 1.00 0.00 C ATOM 22 C SER A 2 -7.384 -3.254 26.866 1.00 0.00 C ATOM 23 O SER A 2 -6.755 -2.699 25.968 1.00 0.00 O ATOM 24 CB SER A 2 -6.634 -4.953 28.553 1.00 0.00 C ATOM 25 OG SER A 2 -5.273 -5.300 28.674 1.00 0.00 O ATOM 0 H SER A 2 -8.380 -2.336 28.893 1.00 0.00 H new ATOM 0 HA SER A 2 -5.753 -3.029 28.222 1.00 0.00 H new ATOM 0 HB2 SER A 2 -7.162 -5.181 29.479 1.00 0.00 H new ATOM 0 HB3 SER A 2 -7.102 -5.543 27.765 1.00 0.00 H new ATOM 0 HG SER A 2 -5.196 -6.255 28.880 1.00 0.00 H new ATOM 31 N SER A 3 -8.633 -3.697 26.710 1.00 0.00 N ATOM 32 CA SER A 3 -9.343 -3.553 25.456 1.00 0.00 C ATOM 33 C SER A 3 -8.667 -4.392 24.379 1.00 0.00 C ATOM 34 O SER A 3 -7.631 -4.002 23.843 1.00 0.00 O ATOM 35 CB SER A 3 -9.372 -2.081 25.055 1.00 0.00 C ATOM 36 OG SER A 3 -10.529 -1.825 24.289 1.00 0.00 O ATOM 0 H SER A 3 -9.168 -4.159 27.445 1.00 0.00 H new ATOM 0 HA SER A 3 -10.368 -3.905 25.572 1.00 0.00 H new ATOM 0 HB2 SER A 3 -9.365 -1.451 25.944 1.00 0.00 H new ATOM 0 HB3 SER A 3 -8.480 -1.832 24.480 1.00 0.00 H new ATOM 0 HG SER A 3 -10.549 -0.879 24.033 1.00 0.00 H new ATOM 42 N ASP A 4 -9.256 -5.547 24.064 1.00 0.00 N ATOM 43 CA ASP A 4 -8.711 -6.433 23.057 1.00 0.00 C ATOM 44 C ASP A 4 -9.799 -7.369 22.551 1.00 0.00 C ATOM 45 O ASP A 4 -10.960 -7.237 22.929 1.00 0.00 O ATOM 46 CB ASP A 4 -7.550 -7.225 23.652 1.00 0.00 C ATOM 47 CG ASP A 4 -8.015 -8.073 24.826 1.00 0.00 C ATOM 48 OD1 ASP A 4 -8.605 -9.141 24.558 1.00 0.00 O ATOM 49 OD2 ASP A 4 -7.773 -7.636 25.973 1.00 0.00 O ATOM 0 H ASP A 4 -10.115 -5.884 24.499 1.00 0.00 H new ATOM 0 HA ASP A 4 -8.341 -5.849 22.214 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -7.112 -7.866 22.887 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -6.768 -6.540 23.980 1.00 0.00 H new ATOM 54 N GLY A 5 -9.420 -8.319 21.691 1.00 0.00 N ATOM 55 CA GLY A 5 -10.367 -9.268 21.140 1.00 0.00 C ATOM 56 C GLY A 5 -9.636 -10.343 20.349 1.00 0.00 C ATOM 57 O GLY A 5 -8.561 -10.789 20.743 1.00 0.00 O ATOM 0 H GLY A 5 -8.461 -8.444 21.367 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -10.943 -9.726 21.944 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -11.077 -8.751 20.494 1.00 0.00 H new ATOM 61 N GLY A 6 -10.225 -10.760 19.225 1.00 0.00 N ATOM 62 CA GLY A 6 -9.627 -11.780 18.386 1.00 0.00 C ATOM 63 C GLY A 6 -9.685 -11.361 16.925 1.00 0.00 C ATOM 64 O GLY A 6 -10.086 -10.242 16.611 1.00 0.00 O ATOM 0 H GLY A 6 -11.116 -10.401 18.882 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -8.591 -11.944 18.684 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -10.152 -12.726 18.521 1.00 0.00 H new ATOM 68 N PRO A 7 -9.283 -12.266 16.028 1.00 0.00 N ATOM 69 CA PRO A 7 -9.270 -12.047 14.598 1.00 0.00 C ATOM 70 C PRO A 7 -10.695 -12.051 14.067 1.00 0.00 C ATOM 71 O PRO A 7 -11.529 -12.827 14.530 1.00 0.00 O ATOM 72 CB PRO A 7 -8.470 -13.218 14.030 1.00 0.00 C ATOM 73 CG PRO A 7 -8.752 -14.337 15.032 1.00 0.00 C ATOM 74 CD PRO A 7 -8.806 -13.590 16.363 1.00 0.00 C ATOM 0 HA PRO A 7 -8.830 -11.089 14.320 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -8.798 -13.483 13.025 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -7.406 -12.989 13.968 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -9.691 -14.847 14.816 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -7.968 -15.094 15.024 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -9.475 -14.085 17.067 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -7.823 -13.549 16.833 1.00 0.00 H new ATOM 82 N VAL A 8 -10.975 -11.181 13.095 1.00 0.00 N ATOM 83 CA VAL A 8 -12.297 -11.087 12.509 1.00 0.00 C ATOM 84 C VAL A 8 -12.208 -11.295 11.003 1.00 0.00 C ATOM 85 O VAL A 8 -11.346 -10.710 10.344 1.00 0.00 O ATOM 86 CB VAL A 8 -12.901 -9.723 12.832 1.00 0.00 C ATOM 87 CG1 VAL A 8 -12.048 -8.627 12.202 1.00 0.00 C ATOM 88 CG2 VAL A 8 -14.319 -9.651 12.272 1.00 0.00 C ATOM 0 H VAL A 8 -10.294 -10.532 12.701 1.00 0.00 H new ATOM 0 HA VAL A 8 -12.940 -11.862 12.926 1.00 0.00 H new ATOM 0 HB VAL A 8 -12.929 -9.584 13.913 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -12.479 -7.653 12.432 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -11.035 -8.679 12.601 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -12.019 -8.764 11.121 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -14.752 -8.677 12.502 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -14.291 -9.790 11.191 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -14.928 -10.434 12.723 1.00 0.00 H new ATOM 98 N LEU A 9 -13.098 -12.125 10.460 1.00 0.00 N ATOM 99 CA LEU A 9 -13.117 -12.423 9.028 1.00 0.00 C ATOM 100 C LEU A 9 -13.640 -11.243 8.205 1.00 0.00 C ATOM 101 O LEU A 9 -14.230 -10.306 8.739 1.00 0.00 O ATOM 102 CB LEU A 9 -13.980 -13.661 8.773 1.00 0.00 C ATOM 103 CG LEU A 9 -15.445 -13.537 9.242 1.00 0.00 C ATOM 104 CD1 LEU A 9 -16.398 -14.238 8.277 1.00 0.00 C ATOM 105 CD2 LEU A 9 -15.616 -14.099 10.648 1.00 0.00 C ATOM 0 H LEU A 9 -13.821 -12.606 10.995 1.00 0.00 H new ATOM 0 HA LEU A 9 -12.091 -12.613 8.712 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -13.972 -13.878 7.705 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -13.524 -14.514 9.275 1.00 0.00 H new ATOM 0 HG LEU A 9 -15.694 -12.476 9.258 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -17.422 -14.132 8.636 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -16.311 -13.787 7.288 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -16.142 -15.296 8.217 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -16.657 -14.000 10.955 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -15.334 -15.152 10.656 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -14.979 -13.548 11.340 1.00 0.00 H new ATOM 117 N GLY A 10 -13.411 -11.299 6.891 1.00 0.00 N ATOM 118 CA GLY A 10 -13.847 -10.246 5.997 1.00 0.00 C ATOM 119 C GLY A 10 -13.098 -10.332 4.675 1.00 0.00 C ATOM 120 O GLY A 10 -12.216 -11.172 4.508 1.00 0.00 O ATOM 0 H GLY A 10 -12.924 -12.068 6.430 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -14.919 -10.330 5.821 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -13.674 -9.273 6.458 1.00 0.00 H new ATOM 124 N GLY A 11 -13.453 -9.457 3.731 1.00 0.00 N ATOM 125 CA GLY A 11 -12.813 -9.441 2.430 1.00 0.00 C ATOM 126 C GLY A 11 -13.068 -8.111 1.734 1.00 0.00 C ATOM 127 O GLY A 11 -14.184 -7.596 1.760 1.00 0.00 O ATOM 0 H GLY A 11 -14.181 -8.753 3.851 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -11.741 -9.601 2.542 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -13.195 -10.259 1.819 1.00 0.00 H new ATOM 131 N VAL A 12 -12.028 -7.556 1.108 1.00 0.00 N ATOM 132 CA VAL A 12 -12.141 -6.292 0.409 1.00 0.00 C ATOM 133 C VAL A 12 -12.981 -5.323 1.230 1.00 0.00 C ATOM 134 O VAL A 12 -14.178 -5.179 0.991 1.00 0.00 O ATOM 135 CB VAL A 12 -12.768 -6.524 -0.963 1.00 0.00 C ATOM 136 CG1 VAL A 12 -13.037 -5.181 -1.634 1.00 0.00 C ATOM 137 CG2 VAL A 12 -11.813 -7.344 -1.826 1.00 0.00 C ATOM 0 H VAL A 12 -11.097 -7.971 1.076 1.00 0.00 H new ATOM 0 HA VAL A 12 -11.151 -5.858 0.272 1.00 0.00 H new ATOM 0 HB VAL A 12 -13.707 -7.065 -0.847 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -13.485 -5.347 -2.614 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -13.720 -4.596 -1.017 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -12.099 -4.638 -1.751 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -12.260 -7.510 -2.806 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -10.873 -6.804 -1.943 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -11.623 -8.304 -1.346 1.00 0.00 H new ATOM 147 N GLU A 13 -12.350 -4.657 2.199 1.00 0.00 N ATOM 148 CA GLU A 13 -13.042 -3.706 3.046 1.00 0.00 C ATOM 149 C GLU A 13 -12.283 -2.386 3.074 1.00 0.00 C ATOM 150 O GLU A 13 -11.110 -2.349 3.440 1.00 0.00 O ATOM 151 CB GLU A 13 -13.175 -4.283 4.452 1.00 0.00 C ATOM 152 CG GLU A 13 -13.995 -3.330 5.317 1.00 0.00 C ATOM 153 CD GLU A 13 -15.301 -3.978 5.752 1.00 0.00 C ATOM 154 OE1 GLU A 13 -15.218 -5.004 6.462 1.00 0.00 O ATOM 155 OE2 GLU A 13 -16.360 -3.436 5.367 1.00 0.00 O ATOM 0 H GLU A 13 -11.358 -4.765 2.411 1.00 0.00 H new ATOM 0 HA GLU A 13 -14.039 -3.518 2.647 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -13.656 -5.260 4.412 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -12.188 -4.432 4.891 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -13.417 -3.042 6.195 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -14.205 -2.417 4.760 1.00 0.00 H new ATOM 162 N PRO A 14 -12.958 -1.302 2.686 1.00 0.00 N ATOM 163 CA PRO A 14 -12.402 0.034 2.649 1.00 0.00 C ATOM 164 C PRO A 14 -12.239 0.558 4.070 1.00 0.00 C ATOM 165 O PRO A 14 -13.210 0.645 4.817 1.00 0.00 O ATOM 166 CB PRO A 14 -13.427 0.862 1.876 1.00 0.00 C ATOM 167 CG PRO A 14 -14.745 0.160 2.200 1.00 0.00 C ATOM 168 CD PRO A 14 -14.337 -1.311 2.250 1.00 0.00 C ATOM 0 HA PRO A 14 -11.419 0.072 2.180 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -13.433 1.903 2.200 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -13.222 0.863 0.805 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -15.161 0.498 3.149 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -15.501 0.345 1.437 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -14.966 -1.872 2.941 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -14.439 -1.782 1.272 1.00 0.00 H new ATOM 176 N VAL A 15 -11.003 0.903 4.440 1.00 0.00 N ATOM 177 CA VAL A 15 -10.718 1.414 5.766 1.00 0.00 C ATOM 178 C VAL A 15 -9.869 2.672 5.662 1.00 0.00 C ATOM 179 O VAL A 15 -9.819 3.306 4.609 1.00 0.00 O ATOM 180 CB VAL A 15 -9.998 0.341 6.579 1.00 0.00 C ATOM 181 CG1 VAL A 15 -10.010 0.728 8.055 1.00 0.00 C ATOM 182 CG2 VAL A 15 -10.709 -0.997 6.397 1.00 0.00 C ATOM 0 H VAL A 15 -10.187 0.834 3.832 1.00 0.00 H new ATOM 0 HA VAL A 15 -11.650 1.670 6.270 1.00 0.00 H new ATOM 0 HB VAL A 15 -8.967 0.254 6.235 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -9.496 -0.038 8.636 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -9.502 1.684 8.185 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -11.040 0.815 8.400 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -10.196 -1.764 6.977 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -11.740 -0.911 6.741 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -10.700 -1.273 5.343 1.00 0.00 H new ATOM 192 N GLY A 16 -9.198 3.035 6.757 1.00 0.00 N ATOM 193 CA GLY A 16 -8.357 4.215 6.780 1.00 0.00 C ATOM 194 C GLY A 16 -7.863 4.484 8.194 1.00 0.00 C ATOM 195 O GLY A 16 -7.397 3.575 8.877 1.00 0.00 O ATOM 0 H GLY A 16 -9.226 2.521 7.638 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -7.508 4.078 6.111 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -8.916 5.076 6.413 1.00 0.00 H new ATOM 199 N ASN A 17 -7.966 5.741 8.633 1.00 0.00 N ATOM 200 CA ASN A 17 -7.531 6.123 9.961 1.00 0.00 C ATOM 201 C ASN A 17 -6.048 5.828 10.127 1.00 0.00 C ATOM 202 O ASN A 17 -5.663 4.692 10.396 1.00 0.00 O ATOM 203 CB ASN A 17 -8.353 5.366 11.001 1.00 0.00 C ATOM 204 CG ASN A 17 -9.367 6.285 11.666 1.00 0.00 C ATOM 205 OD1 ASN A 17 -9.316 6.497 12.876 1.00 0.00 O ATOM 206 ND2 ASN A 17 -10.290 6.833 10.872 1.00 0.00 N ATOM 0 H ASN A 17 -8.349 6.507 8.079 1.00 0.00 H new ATOM 0 HA ASN A 17 -7.684 7.193 10.103 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -8.869 4.532 10.525 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -7.691 4.942 11.756 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -10.994 7.458 11.264 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -10.291 6.626 9.873 1.00 0.00 H new ATOM 213 N GLU A 18 -5.213 6.857 9.963 1.00 0.00 N ATOM 214 CA GLU A 18 -3.778 6.703 10.097 1.00 0.00 C ATOM 215 C GLU A 18 -3.419 6.417 11.548 1.00 0.00 C ATOM 216 O GLU A 18 -2.314 5.963 11.841 1.00 0.00 O ATOM 217 CB GLU A 18 -3.085 7.971 9.607 1.00 0.00 C ATOM 218 CG GLU A 18 -3.456 9.138 10.518 1.00 0.00 C ATOM 219 CD GLU A 18 -2.585 10.352 10.227 1.00 0.00 C ATOM 220 OE1 GLU A 18 -1.491 10.421 10.826 1.00 0.00 O ATOM 221 OE2 GLU A 18 -3.031 11.188 9.413 1.00 0.00 O ATOM 0 H GLU A 18 -5.515 7.805 9.737 1.00 0.00 H new ATOM 0 HA GLU A 18 -3.441 5.862 9.491 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -2.004 7.829 9.602 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -3.383 8.188 8.581 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -4.506 9.396 10.376 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -3.338 8.842 11.561 1.00 0.00 H new ATOM 228 N ASN A 19 -4.359 6.683 12.458 1.00 0.00 N ATOM 229 CA ASN A 19 -4.138 6.452 13.871 1.00 0.00 C ATOM 230 C ASN A 19 -3.540 5.069 14.085 1.00 0.00 C ATOM 231 O ASN A 19 -2.915 4.809 15.111 1.00 0.00 O ATOM 232 CB ASN A 19 -5.460 6.590 14.621 1.00 0.00 C ATOM 233 CG ASN A 19 -5.446 7.812 15.528 1.00 0.00 C ATOM 234 OD1 ASN A 19 -4.995 7.736 16.668 1.00 0.00 O ATOM 235 ND2 ASN A 19 -5.940 8.942 15.018 1.00 0.00 N ATOM 0 H ASN A 19 -5.280 7.059 12.232 1.00 0.00 H new ATOM 0 HA ASN A 19 -3.436 7.191 14.256 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -6.280 6.671 13.908 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -5.641 5.694 15.215 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -5.954 9.792 15.581 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -6.304 8.955 14.065 1.00 0.00 H new ATOM 242 N ASP A 20 -3.734 4.178 13.109 1.00 0.00 N ATOM 243 CA ASP A 20 -3.216 2.828 13.192 1.00 0.00 C ATOM 244 C ASP A 20 -1.819 2.774 12.589 1.00 0.00 C ATOM 245 O ASP A 20 -1.670 2.553 11.386 1.00 0.00 O ATOM 246 CB ASP A 20 -4.158 1.877 12.460 1.00 0.00 C ATOM 247 CG ASP A 20 -5.412 1.615 13.281 1.00 0.00 C ATOM 248 OD1 ASP A 20 -5.291 0.880 14.284 1.00 0.00 O ATOM 249 OD2 ASP A 20 -6.469 2.157 12.891 1.00 0.00 O ATOM 0 H ASP A 20 -4.250 4.378 12.252 1.00 0.00 H new ATOM 0 HA ASP A 20 -3.152 2.522 14.236 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -4.433 2.303 11.495 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -3.647 0.935 12.259 1.00 0.00 H new ATOM 254 N LEU A 21 -0.799 2.977 13.422 1.00 0.00 N ATOM 255 CA LEU A 21 0.592 2.965 12.972 1.00 0.00 C ATOM 256 C LEU A 21 0.851 1.865 11.940 1.00 0.00 C ATOM 257 O LEU A 21 1.467 2.109 10.903 1.00 0.00 O ATOM 258 CB LEU A 21 1.521 2.780 14.176 1.00 0.00 C ATOM 259 CG LEU A 21 1.603 1.335 14.714 1.00 0.00 C ATOM 260 CD1 LEU A 21 2.815 0.601 14.148 1.00 0.00 C ATOM 261 CD2 LEU A 21 1.646 1.324 16.237 1.00 0.00 C ATOM 0 H LEU A 21 -0.912 3.153 14.420 1.00 0.00 H new ATOM 0 HA LEU A 21 0.794 3.921 12.490 1.00 0.00 H new ATOM 0 HB2 LEU A 21 2.523 3.107 13.898 1.00 0.00 H new ATOM 0 HB3 LEU A 21 1.185 3.434 14.981 1.00 0.00 H new ATOM 0 HG LEU A 21 0.704 0.812 14.387 1.00 0.00 H new ATOM 0 HD11 LEU A 21 2.845 -0.413 14.546 1.00 0.00 H new ATOM 0 HD12 LEU A 21 2.742 0.563 13.061 1.00 0.00 H new ATOM 0 HD13 LEU A 21 3.725 1.129 14.432 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.704 0.295 16.592 1.00 0.00 H new ATOM 0 HD22 LEU A 21 2.521 1.876 16.580 1.00 0.00 H new ATOM 0 HD23 LEU A 21 0.744 1.793 16.630 1.00 0.00 H new ATOM 273 N HIS A 22 0.374 0.652 12.245 1.00 0.00 N ATOM 274 CA HIS A 22 0.533 -0.502 11.358 1.00 0.00 C ATOM 275 C HIS A 22 0.224 -0.109 9.901 1.00 0.00 C ATOM 276 O HIS A 22 1.103 -0.222 9.046 1.00 0.00 O ATOM 277 CB HIS A 22 -0.366 -1.655 11.820 1.00 0.00 C ATOM 278 CG HIS A 22 -0.559 -2.709 10.771 1.00 0.00 C ATOM 279 ND1 HIS A 22 -0.874 -2.606 9.458 1.00 0.00 N flip ATOM 280 CD2 HIS A 22 -0.417 -4.057 11.026 1.00 0.00 C flip ATOM 281 CE1 HIS A 22 -0.917 -3.883 8.951 1.00 0.00 C flip ATOM 282 NE2 HIS A 22 -0.636 -4.739 9.914 1.00 0.00 N flip ATOM 0 H HIS A 22 -0.129 0.446 13.108 1.00 0.00 H new ATOM 0 HA HIS A 22 1.569 -0.839 11.403 1.00 0.00 H new ATOM 0 HB2 HIS A 22 0.068 -2.112 12.710 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -1.338 -1.256 12.109 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -0.166 -4.488 11.984 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -1.144 -4.144 7.928 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -0.595 -5.754 9.818 1.00 0.00 H new ATOM 291 N LEU A 23 -1.004 0.331 9.629 1.00 0.00 N ATOM 292 CA LEU A 23 -1.418 0.707 8.277 1.00 0.00 C ATOM 293 C LEU A 23 -0.451 1.708 7.641 1.00 0.00 C ATOM 294 O LEU A 23 0.093 1.469 6.564 1.00 0.00 O ATOM 295 CB LEU A 23 -2.829 1.298 8.317 1.00 0.00 C ATOM 296 CG LEU A 23 -3.738 0.733 9.430 1.00 0.00 C ATOM 297 CD1 LEU A 23 -5.198 1.102 9.193 1.00 0.00 C ATOM 298 CD2 LEU A 23 -3.588 -0.780 9.537 1.00 0.00 C ATOM 0 H LEU A 23 -1.735 0.436 10.333 1.00 0.00 H new ATOM 0 HA LEU A 23 -1.410 -0.193 7.663 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -2.752 2.378 8.444 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -3.308 1.124 7.353 1.00 0.00 H new ATOM 0 HG LEU A 23 -3.422 1.182 10.371 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -5.812 0.690 9.994 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -5.301 2.187 9.179 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -5.526 0.694 8.237 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -4.238 -1.155 10.328 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -3.866 -1.241 8.589 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -2.552 -1.027 9.771 1.00 0.00 H new ATOM 310 N VAL A 24 -0.247 2.839 8.321 1.00 0.00 N ATOM 311 CA VAL A 24 0.639 3.877 7.833 1.00 0.00 C ATOM 312 C VAL A 24 1.991 3.274 7.479 1.00 0.00 C ATOM 313 O VAL A 24 2.537 3.551 6.414 1.00 0.00 O ATOM 314 CB VAL A 24 0.791 4.957 8.900 1.00 0.00 C ATOM 315 CG1 VAL A 24 2.092 5.719 8.670 1.00 0.00 C ATOM 316 CG2 VAL A 24 -0.387 5.924 8.813 1.00 0.00 C ATOM 0 H VAL A 24 -0.690 3.052 9.215 1.00 0.00 H new ATOM 0 HA VAL A 24 0.218 4.329 6.935 1.00 0.00 H new ATOM 0 HB VAL A 24 0.811 4.494 9.887 1.00 0.00 H new ATOM 0 HG11 VAL A 24 2.201 6.491 9.432 1.00 0.00 H new ATOM 0 HG12 VAL A 24 2.933 5.029 8.730 1.00 0.00 H new ATOM 0 HG13 VAL A 24 2.072 6.183 7.684 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -0.281 6.697 9.575 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -0.406 6.387 7.826 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -1.317 5.380 8.976 1.00 0.00 H new ATOM 326 N ASP A 25 2.532 2.447 8.378 1.00 0.00 N ATOM 327 CA ASP A 25 3.815 1.811 8.156 1.00 0.00 C ATOM 328 C ASP A 25 3.897 1.300 6.725 1.00 0.00 C ATOM 329 O ASP A 25 4.898 1.520 6.043 1.00 0.00 O ATOM 330 CB ASP A 25 3.993 0.667 9.150 1.00 0.00 C ATOM 331 CG ASP A 25 5.402 0.097 9.076 1.00 0.00 C ATOM 332 OD1 ASP A 25 6.347 0.887 9.292 1.00 0.00 O ATOM 333 OD2 ASP A 25 5.508 -1.119 8.804 1.00 0.00 O ATOM 0 H ASP A 25 2.092 2.207 9.267 1.00 0.00 H new ATOM 0 HA ASP A 25 4.615 2.535 8.308 1.00 0.00 H new ATOM 0 HB2 ASP A 25 3.793 1.024 10.160 1.00 0.00 H new ATOM 0 HB3 ASP A 25 3.267 -0.119 8.940 1.00 0.00 H new ATOM 338 N LEU A 26 2.844 0.619 6.272 1.00 0.00 N ATOM 339 CA LEU A 26 2.795 0.062 4.920 1.00 0.00 C ATOM 340 C LEU A 26 2.992 1.140 3.851 1.00 0.00 C ATOM 341 O LEU A 26 3.836 1.009 2.966 1.00 0.00 O ATOM 342 CB LEU A 26 1.458 -0.650 4.705 1.00 0.00 C ATOM 343 CG LEU A 26 1.146 -1.764 5.725 1.00 0.00 C ATOM 344 CD1 LEU A 26 0.811 -3.078 5.026 1.00 0.00 C ATOM 345 CD2 LEU A 26 2.311 -1.964 6.688 1.00 0.00 C ATOM 0 H LEU A 26 2.007 0.439 6.827 1.00 0.00 H new ATOM 0 HA LEU A 26 3.614 -0.651 4.822 1.00 0.00 H new ATOM 0 HB2 LEU A 26 0.659 0.090 4.741 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.449 -1.081 3.704 1.00 0.00 H new ATOM 0 HG LEU A 26 0.273 -1.448 6.296 1.00 0.00 H new ATOM 0 HD11 LEU A 26 0.596 -3.843 5.772 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -0.062 -2.938 4.388 1.00 0.00 H new ATOM 0 HD13 LEU A 26 1.659 -3.393 4.418 1.00 0.00 H new ATOM 0 HD21 LEU A 26 2.065 -2.755 7.397 1.00 0.00 H new ATOM 0 HD22 LEU A 26 3.203 -2.243 6.127 1.00 0.00 H new ATOM 0 HD23 LEU A 26 2.499 -1.037 7.230 1.00 0.00 H new ATOM 357 N ALA A 27 2.194 2.206 3.940 1.00 0.00 N ATOM 358 CA ALA A 27 2.266 3.298 2.990 1.00 0.00 C ATOM 359 C ALA A 27 3.630 3.966 3.078 1.00 0.00 C ATOM 360 O ALA A 27 4.340 4.067 2.079 1.00 0.00 O ATOM 361 CB ALA A 27 1.152 4.300 3.281 1.00 0.00 C ATOM 0 H ALA A 27 1.490 2.329 4.667 1.00 0.00 H new ATOM 0 HA ALA A 27 2.135 2.915 1.978 1.00 0.00 H new ATOM 0 HB1 ALA A 27 1.206 5.122 2.567 1.00 0.00 H new ATOM 0 HB2 ALA A 27 0.185 3.805 3.192 1.00 0.00 H new ATOM 0 HB3 ALA A 27 1.269 4.690 4.292 1.00 0.00 H new ATOM 367 N ARG A 28 3.996 4.426 4.277 1.00 0.00 N ATOM 368 CA ARG A 28 5.269 5.083 4.488 1.00 0.00 C ATOM 369 C ARG A 28 6.400 4.181 4.016 1.00 0.00 C ATOM 370 O ARG A 28 7.436 4.663 3.562 1.00 0.00 O ATOM 371 CB ARG A 28 5.428 5.419 5.968 1.00 0.00 C ATOM 372 CG ARG A 28 4.862 6.810 6.238 1.00 0.00 C ATOM 373 CD ARG A 28 6.009 7.802 6.414 1.00 0.00 C ATOM 374 NE ARG A 28 5.544 9.034 7.052 1.00 0.00 N ATOM 375 CZ ARG A 28 5.970 9.430 8.259 1.00 0.00 C ATOM 376 NH1 ARG A 28 6.858 8.688 8.935 1.00 0.00 N ATOM 377 NH2 ARG A 28 5.506 10.568 8.793 1.00 0.00 N ATOM 0 H ARG A 28 3.419 4.350 5.115 1.00 0.00 H new ATOM 0 HA ARG A 28 5.304 6.008 3.913 1.00 0.00 H new ATOM 0 HB2 ARG A 28 4.909 4.679 6.578 1.00 0.00 H new ATOM 0 HB3 ARG A 28 6.480 5.382 6.249 1.00 0.00 H new ATOM 0 HG2 ARG A 28 4.222 7.120 5.412 1.00 0.00 H new ATOM 0 HG3 ARG A 28 4.241 6.794 7.133 1.00 0.00 H new ATOM 0 HD2 ARG A 28 6.796 7.350 7.018 1.00 0.00 H new ATOM 0 HD3 ARG A 28 6.446 8.034 5.443 1.00 0.00 H new ATOM 0 HE ARG A 28 4.868 9.615 6.557 1.00 0.00 H new ATOM 0 HH11 ARG A 28 7.211 7.820 8.531 1.00 0.00 H new ATOM 0 HH12 ARG A 28 7.181 8.991 9.854 1.00 0.00 H new ATOM 0 HH21 ARG A 28 4.829 11.133 8.281 1.00 0.00 H new ATOM 0 HH22 ARG A 28 5.830 10.870 9.712 1.00 0.00 H new ATOM 391 N PHE A 29 6.201 2.865 4.125 1.00 0.00 N ATOM 392 CA PHE A 29 7.203 1.904 3.709 1.00 0.00 C ATOM 393 C PHE A 29 7.333 1.917 2.193 1.00 0.00 C ATOM 394 O PHE A 29 8.441 1.891 1.662 1.00 0.00 O ATOM 395 CB PHE A 29 6.812 0.515 4.208 1.00 0.00 C ATOM 396 CG PHE A 29 7.453 -0.607 3.427 1.00 0.00 C ATOM 397 CD1 PHE A 29 8.824 -0.573 3.149 1.00 0.00 C ATOM 398 CD2 PHE A 29 6.675 -1.684 2.984 1.00 0.00 C ATOM 399 CE1 PHE A 29 9.418 -1.615 2.428 1.00 0.00 C ATOM 400 CE2 PHE A 29 7.269 -2.726 2.262 1.00 0.00 C ATOM 401 CZ PHE A 29 8.641 -2.692 1.984 1.00 0.00 C ATOM 0 H PHE A 29 5.349 2.448 4.500 1.00 0.00 H new ATOM 0 HA PHE A 29 8.169 2.171 4.138 1.00 0.00 H new ATOM 0 HB2 PHE A 29 7.091 0.423 5.258 1.00 0.00 H new ATOM 0 HB3 PHE A 29 5.728 0.411 4.156 1.00 0.00 H new ATOM 0 HD1 PHE A 29 9.424 0.257 3.491 1.00 0.00 H new ATOM 0 HD2 PHE A 29 5.617 -1.711 3.199 1.00 0.00 H new ATOM 0 HE1 PHE A 29 10.476 -1.588 2.214 1.00 0.00 H new ATOM 0 HE2 PHE A 29 6.669 -3.556 1.919 1.00 0.00 H new ATOM 0 HZ PHE A 29 9.100 -3.496 1.427 1.00 0.00 H new ATOM 411 N ALA A 30 6.196 1.959 1.496 1.00 0.00 N ATOM 412 CA ALA A 30 6.187 1.973 0.047 1.00 0.00 C ATOM 413 C ALA A 30 7.148 3.039 -0.463 1.00 0.00 C ATOM 414 O ALA A 30 8.177 2.719 -1.052 1.00 0.00 O ATOM 415 CB ALA A 30 4.769 2.241 -0.450 1.00 0.00 C ATOM 0 H ALA A 30 5.269 1.984 1.922 1.00 0.00 H new ATOM 0 HA ALA A 30 6.513 1.005 -0.333 1.00 0.00 H new ATOM 0 HB1 ALA A 30 4.761 2.252 -1.540 1.00 0.00 H new ATOM 0 HB2 ALA A 30 4.103 1.457 -0.090 1.00 0.00 H new ATOM 0 HB3 ALA A 30 4.428 3.206 -0.075 1.00 0.00 H new ATOM 421 N VAL A 31 6.807 4.309 -0.235 1.00 0.00 N ATOM 422 CA VAL A 31 7.638 5.414 -0.671 1.00 0.00 C ATOM 423 C VAL A 31 9.095 5.120 -0.350 1.00 0.00 C ATOM 424 O VAL A 31 9.974 5.344 -1.180 1.00 0.00 O ATOM 425 CB VAL A 31 7.180 6.696 0.020 1.00 0.00 C ATOM 426 CG1 VAL A 31 8.117 7.840 -0.358 1.00 0.00 C ATOM 427 CG2 VAL A 31 5.760 7.034 -0.427 1.00 0.00 C ATOM 0 H VAL A 31 5.956 4.590 0.252 1.00 0.00 H new ATOM 0 HA VAL A 31 7.543 5.543 -1.749 1.00 0.00 H new ATOM 0 HB VAL A 31 7.198 6.553 1.100 1.00 0.00 H new ATOM 0 HG11 VAL A 31 7.791 8.756 0.135 1.00 0.00 H new ATOM 0 HG12 VAL A 31 9.132 7.599 -0.041 1.00 0.00 H new ATOM 0 HG13 VAL A 31 8.099 7.983 -1.438 1.00 0.00 H new ATOM 0 HG21 VAL A 31 5.432 7.949 0.066 1.00 0.00 H new ATOM 0 HG22 VAL A 31 5.743 7.177 -1.507 1.00 0.00 H new ATOM 0 HG23 VAL A 31 5.090 6.217 -0.159 1.00 0.00 H new ATOM 437 N THR A 32 9.353 4.614 0.858 1.00 0.00 N ATOM 438 CA THR A 32 10.701 4.292 1.277 1.00 0.00 C ATOM 439 C THR A 32 11.316 3.284 0.317 1.00 0.00 C ATOM 440 O THR A 32 12.274 3.594 -0.388 1.00 0.00 O ATOM 441 CB THR A 32 10.674 3.737 2.698 1.00 0.00 C ATOM 442 OG1 THR A 32 10.394 4.782 3.604 1.00 0.00 O ATOM 443 CG2 THR A 32 12.030 3.123 3.033 1.00 0.00 C ATOM 0 H THR A 32 8.637 4.421 1.559 1.00 0.00 H new ATOM 0 HA THR A 32 11.312 5.194 1.265 1.00 0.00 H new ATOM 0 HB THR A 32 9.902 2.971 2.774 1.00 0.00 H new ATOM 0 HG1 THR A 32 9.424 4.877 3.704 1.00 0.00 H new ATOM 0 HG21 THR A 32 12.009 2.727 4.048 1.00 0.00 H new ATOM 0 HG22 THR A 32 12.247 2.316 2.333 1.00 0.00 H new ATOM 0 HG23 THR A 32 12.804 3.887 2.957 1.00 0.00 H new ATOM 451 N GLU A 33 10.761 2.069 0.292 1.00 0.00 N ATOM 452 CA GLU A 33 11.255 1.024 -0.580 1.00 0.00 C ATOM 453 C GLU A 33 11.582 1.601 -1.950 1.00 0.00 C ATOM 454 O GLU A 33 12.685 1.398 -2.457 1.00 0.00 O ATOM 455 CB GLU A 33 10.206 -0.080 -0.694 1.00 0.00 C ATOM 456 CG GLU A 33 10.766 -1.230 -1.525 1.00 0.00 C ATOM 457 CD GLU A 33 11.310 -2.333 -0.629 1.00 0.00 C ATOM 458 OE1 GLU A 33 12.279 -2.041 0.105 1.00 0.00 O ATOM 459 OE2 GLU A 33 10.747 -3.447 -0.694 1.00 0.00 O ATOM 0 H GLU A 33 9.968 1.794 0.871 1.00 0.00 H new ATOM 0 HA GLU A 33 12.168 0.600 -0.162 1.00 0.00 H new ATOM 0 HB2 GLU A 33 9.928 -0.436 0.298 1.00 0.00 H new ATOM 0 HB3 GLU A 33 9.300 0.311 -1.158 1.00 0.00 H new ATOM 0 HG2 GLU A 33 9.985 -1.632 -2.170 1.00 0.00 H new ATOM 0 HG3 GLU A 33 11.558 -0.861 -2.176 1.00 0.00 H new ATOM 466 N HIS A 34 10.620 2.317 -2.542 1.00 0.00 N ATOM 467 CA HIS A 34 10.797 2.944 -3.854 1.00 0.00 C ATOM 468 C HIS A 34 12.025 3.872 -3.844 1.00 0.00 C ATOM 469 O HIS A 34 12.883 3.750 -4.716 1.00 0.00 O ATOM 470 CB HIS A 34 9.530 3.709 -4.253 1.00 0.00 C ATOM 471 CG HIS A 34 9.527 4.135 -5.690 1.00 0.00 C ATOM 472 ND1 HIS A 34 10.511 4.649 -6.466 1.00 0.00 N flip ATOM 473 CD2 HIS A 34 8.415 4.040 -6.500 1.00 0.00 C flip ATOM 474 CE1 HIS A 34 9.978 4.852 -7.716 1.00 0.00 C flip ATOM 475 NE2 HIS A 34 8.714 4.476 -7.711 1.00 0.00 N flip ATOM 0 H HIS A 34 9.702 2.477 -2.127 1.00 0.00 H new ATOM 0 HA HIS A 34 10.970 2.165 -4.596 1.00 0.00 H new ATOM 0 HB2 HIS A 34 8.659 3.081 -4.065 1.00 0.00 H new ATOM 0 HB3 HIS A 34 9.430 4.590 -3.619 1.00 0.00 H new ATOM 0 HD2 HIS A 34 7.449 3.667 -6.192 1.00 0.00 H new ATOM 0 HE1 HIS A 34 10.509 5.255 -8.566 1.00 0.00 H new ATOM 0 HE2 HIS A 34 8.076 4.515 -8.506 1.00 0.00 H new ATOM 484 N ASN A 35 12.097 4.793 -2.880 1.00 0.00 N ATOM 485 CA ASN A 35 13.205 5.722 -2.793 1.00 0.00 C ATOM 486 C ASN A 35 14.516 4.958 -2.672 1.00 0.00 C ATOM 487 O ASN A 35 15.544 5.395 -3.185 1.00 0.00 O ATOM 488 CB ASN A 35 13.002 6.641 -1.591 1.00 0.00 C ATOM 489 CG ASN A 35 11.644 7.324 -1.653 1.00 0.00 C ATOM 490 OD1 ASN A 35 11.055 7.381 -2.850 1.00 0.00 O flip ATOM 491 ND2 ASN A 35 11.138 7.795 -0.637 1.00 0.00 N flip ATOM 0 H ASN A 35 11.394 4.908 -2.150 1.00 0.00 H new ATOM 0 HA ASN A 35 13.246 6.329 -3.698 1.00 0.00 H new ATOM 0 HB2 ASN A 35 13.082 6.064 -0.670 1.00 0.00 H new ATOM 0 HB3 ASN A 35 13.791 7.393 -1.566 1.00 0.00 H new ATOM 0 HD21 ASN A 35 11.627 7.727 0.255 1.00 0.00 H new ATOM 0 HD22 ASN A 35 10.229 8.254 -0.686 1.00 0.00 H new ATOM 498 N LYS A 36 14.476 3.811 -1.990 1.00 0.00 N ATOM 499 CA LYS A 36 15.657 2.992 -1.806 1.00 0.00 C ATOM 500 C LYS A 36 16.236 2.605 -3.159 1.00 0.00 C ATOM 501 O LYS A 36 17.451 2.617 -3.347 1.00 0.00 O ATOM 502 CB LYS A 36 15.293 1.749 -0.999 1.00 0.00 C ATOM 503 CG LYS A 36 15.935 1.834 0.383 1.00 0.00 C ATOM 504 CD LYS A 36 14.892 1.521 1.451 1.00 0.00 C ATOM 505 CE LYS A 36 15.558 0.797 2.617 1.00 0.00 C ATOM 506 NZ LYS A 36 16.001 1.749 3.646 1.00 0.00 N ATOM 0 H LYS A 36 13.632 3.435 -1.558 1.00 0.00 H new ATOM 0 HA LYS A 36 16.412 3.557 -1.259 1.00 0.00 H new ATOM 0 HB2 LYS A 36 14.210 1.668 -0.904 1.00 0.00 H new ATOM 0 HB3 LYS A 36 15.636 0.853 -1.517 1.00 0.00 H new ATOM 0 HG2 LYS A 36 16.765 1.131 0.454 1.00 0.00 H new ATOM 0 HG3 LYS A 36 16.347 2.830 0.543 1.00 0.00 H new ATOM 0 HD2 LYS A 36 14.426 2.442 1.800 1.00 0.00 H new ATOM 0 HD3 LYS A 36 14.099 0.902 1.030 1.00 0.00 H new ATOM 0 HE2 LYS A 36 14.859 0.084 3.054 1.00 0.00 H new ATOM 0 HE3 LYS A 36 16.412 0.225 2.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 16.451 1.231 4.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 16.686 2.414 3.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 15.181 2.277 4.007 1.00 0.00 H new ATOM 520 N LYS A 37 15.360 2.259 -4.106 1.00 0.00 N ATOM 521 CA LYS A 37 15.786 1.871 -5.436 1.00 0.00 C ATOM 522 C LYS A 37 15.859 3.097 -6.335 1.00 0.00 C ATOM 523 O LYS A 37 16.942 3.497 -6.759 1.00 0.00 O ATOM 524 CB LYS A 37 14.811 0.843 -6.002 1.00 0.00 C ATOM 525 CG LYS A 37 15.460 -0.538 -5.981 1.00 0.00 C ATOM 526 CD LYS A 37 14.520 -1.535 -5.310 1.00 0.00 C ATOM 527 CE LYS A 37 15.206 -2.893 -5.206 1.00 0.00 C ATOM 528 NZ LYS A 37 14.287 -3.979 -5.581 1.00 0.00 N ATOM 0 H LYS A 37 14.350 2.242 -3.967 1.00 0.00 H new ATOM 0 HA LYS A 37 16.778 1.423 -5.387 1.00 0.00 H new ATOM 0 HB2 LYS A 37 13.893 0.834 -5.414 1.00 0.00 H new ATOM 0 HB3 LYS A 37 14.534 1.111 -7.022 1.00 0.00 H new ATOM 0 HG2 LYS A 37 15.684 -0.861 -6.998 1.00 0.00 H new ATOM 0 HG3 LYS A 37 16.407 -0.498 -5.444 1.00 0.00 H new ATOM 0 HD2 LYS A 37 14.244 -1.179 -4.318 1.00 0.00 H new ATOM 0 HD3 LYS A 37 13.598 -1.625 -5.885 1.00 0.00 H new ATOM 0 HE2 LYS A 37 16.082 -2.913 -5.855 1.00 0.00 H new ATOM 0 HE3 LYS A 37 15.561 -3.048 -4.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 14.778 -4.892 -5.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 13.464 -3.972 -4.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 13.968 -3.841 -6.561 1.00 0.00 H new ATOM 542 N ALA A 38 14.701 3.693 -6.626 1.00 0.00 N ATOM 543 CA ALA A 38 14.637 4.867 -7.473 1.00 0.00 C ATOM 544 C ALA A 38 15.376 6.021 -6.810 1.00 0.00 C ATOM 545 O ALA A 38 15.155 7.181 -7.152 1.00 0.00 O ATOM 546 CB ALA A 38 13.176 5.233 -7.724 1.00 0.00 C ATOM 0 H ALA A 38 13.796 3.374 -6.282 1.00 0.00 H new ATOM 0 HA ALA A 38 15.115 4.657 -8.430 1.00 0.00 H new ATOM 0 HB1 ALA A 38 13.126 6.116 -8.361 1.00 0.00 H new ATOM 0 HB2 ALA A 38 12.672 4.401 -8.217 1.00 0.00 H new ATOM 0 HB3 ALA A 38 12.685 5.443 -6.774 1.00 0.00 H new ATOM 552 N ASN A 39 16.256 5.701 -5.859 1.00 0.00 N ATOM 553 CA ASN A 39 17.021 6.711 -5.156 1.00 0.00 C ATOM 554 C ASN A 39 16.126 7.891 -4.809 1.00 0.00 C ATOM 555 O ASN A 39 16.585 9.030 -4.761 1.00 0.00 O ATOM 556 CB ASN A 39 18.191 7.158 -6.027 1.00 0.00 C ATOM 557 CG ASN A 39 19.462 6.406 -5.657 1.00 0.00 C ATOM 558 OD1 ASN A 39 19.775 6.256 -4.478 1.00 0.00 O ATOM 559 ND2 ASN A 39 20.193 5.932 -6.669 1.00 0.00 N ATOM 0 H ASN A 39 16.451 4.744 -5.563 1.00 0.00 H new ATOM 0 HA ASN A 39 17.413 6.294 -4.228 1.00 0.00 H new ATOM 0 HB2 ASN A 39 17.954 6.986 -7.077 1.00 0.00 H new ATOM 0 HB3 ASN A 39 18.350 8.230 -5.908 1.00 0.00 H new ATOM 0 HD21 ASN A 39 21.054 5.419 -6.480 1.00 0.00 H new ATOM 0 HD22 ASN A 39 19.890 6.083 -7.631 1.00 0.00 H new ATOM 566 N SER A 40 14.842 7.616 -4.565 1.00 0.00 N ATOM 567 CA SER A 40 13.890 8.653 -4.223 1.00 0.00 C ATOM 568 C SER A 40 13.501 9.430 -5.472 1.00 0.00 C ATOM 569 O SER A 40 14.297 9.548 -6.405 1.00 0.00 O ATOM 570 CB SER A 40 14.505 9.581 -3.178 1.00 0.00 C ATOM 571 OG SER A 40 15.360 8.840 -2.338 1.00 0.00 O ATOM 0 H SER A 40 14.445 6.677 -4.601 1.00 0.00 H new ATOM 0 HA SER A 40 12.990 8.202 -3.806 1.00 0.00 H new ATOM 0 HB2 SER A 40 15.062 10.380 -3.668 1.00 0.00 H new ATOM 0 HB3 SER A 40 13.720 10.054 -2.589 1.00 0.00 H new ATOM 0 HG SER A 40 15.757 9.435 -1.668 1.00 0.00 H new ATOM 577 N LEU A 41 12.278 9.960 -5.488 1.00 0.00 N ATOM 578 CA LEU A 41 11.771 10.721 -6.629 1.00 0.00 C ATOM 579 C LEU A 41 10.599 11.626 -6.239 1.00 0.00 C ATOM 580 O LEU A 41 10.353 12.653 -6.873 1.00 0.00 O ATOM 581 CB LEU A 41 11.338 9.758 -7.738 1.00 0.00 C ATOM 582 CG LEU A 41 9.864 9.307 -7.667 1.00 0.00 C ATOM 583 CD1 LEU A 41 9.355 8.860 -9.035 1.00 0.00 C ATOM 584 CD2 LEU A 41 9.687 8.187 -6.649 1.00 0.00 C ATOM 0 H LEU A 41 11.616 9.875 -4.717 1.00 0.00 H new ATOM 0 HA LEU A 41 12.577 11.362 -6.986 1.00 0.00 H new ATOM 0 HB2 LEU A 41 11.511 10.236 -8.702 1.00 0.00 H new ATOM 0 HB3 LEU A 41 11.975 8.875 -7.702 1.00 0.00 H new ATOM 0 HG LEU A 41 9.274 10.166 -7.347 1.00 0.00 H new ATOM 0 HD11 LEU A 41 8.314 8.548 -8.952 1.00 0.00 H new ATOM 0 HD12 LEU A 41 9.431 9.688 -9.740 1.00 0.00 H new ATOM 0 HD13 LEU A 41 9.957 8.024 -9.392 1.00 0.00 H new ATOM 0 HD21 LEU A 41 8.640 7.886 -6.617 1.00 0.00 H new ATOM 0 HD22 LEU A 41 10.301 7.334 -6.937 1.00 0.00 H new ATOM 0 HD23 LEU A 41 9.993 8.539 -5.664 1.00 0.00 H new ATOM 596 N LEU A 42 9.879 11.229 -5.189 1.00 0.00 N ATOM 597 CA LEU A 42 8.720 11.980 -4.709 1.00 0.00 C ATOM 598 C LEU A 42 8.898 12.442 -3.260 1.00 0.00 C ATOM 599 O LEU A 42 9.957 12.266 -2.663 1.00 0.00 O ATOM 600 CB LEU A 42 7.461 11.117 -4.830 1.00 0.00 C ATOM 601 CG LEU A 42 7.464 9.842 -3.961 1.00 0.00 C ATOM 602 CD1 LEU A 42 8.886 9.381 -3.655 1.00 0.00 C ATOM 603 CD2 LEU A 42 6.695 10.067 -2.663 1.00 0.00 C ATOM 0 H LEU A 42 10.081 10.386 -4.652 1.00 0.00 H new ATOM 0 HA LEU A 42 8.620 12.871 -5.328 1.00 0.00 H new ATOM 0 HB2 LEU A 42 6.596 11.722 -4.559 1.00 0.00 H new ATOM 0 HB3 LEU A 42 7.334 10.828 -5.873 1.00 0.00 H new ATOM 0 HG LEU A 42 6.967 9.057 -4.531 1.00 0.00 H new ATOM 0 HD11 LEU A 42 8.853 8.481 -3.041 1.00 0.00 H new ATOM 0 HD12 LEU A 42 9.407 9.165 -4.588 1.00 0.00 H new ATOM 0 HD13 LEU A 42 9.416 10.167 -3.117 1.00 0.00 H new ATOM 0 HD21 LEU A 42 6.711 9.154 -2.068 1.00 0.00 H new ATOM 0 HD22 LEU A 42 7.160 10.876 -2.100 1.00 0.00 H new ATOM 0 HD23 LEU A 42 5.663 10.332 -2.893 1.00 0.00 H new ATOM 615 N GLU A 43 7.843 13.043 -2.704 1.00 0.00 N ATOM 616 CA GLU A 43 7.877 13.533 -1.341 1.00 0.00 C ATOM 617 C GLU A 43 6.556 13.229 -0.647 1.00 0.00 C ATOM 618 O GLU A 43 5.651 14.060 -0.634 1.00 0.00 O ATOM 619 CB GLU A 43 8.150 15.035 -1.348 1.00 0.00 C ATOM 620 CG GLU A 43 8.877 15.426 -0.065 1.00 0.00 C ATOM 621 CD GLU A 43 10.262 15.975 -0.371 1.00 0.00 C ATOM 622 OE1 GLU A 43 10.329 16.925 -1.181 1.00 0.00 O ATOM 623 OE2 GLU A 43 11.229 15.435 0.209 1.00 0.00 O ATOM 0 H GLU A 43 6.957 13.198 -3.185 1.00 0.00 H new ATOM 0 HA GLU A 43 8.675 13.033 -0.792 1.00 0.00 H new ATOM 0 HB2 GLU A 43 8.753 15.302 -2.216 1.00 0.00 H new ATOM 0 HB3 GLU A 43 7.213 15.585 -1.430 1.00 0.00 H new ATOM 0 HG2 GLU A 43 8.296 16.175 0.473 1.00 0.00 H new ATOM 0 HG3 GLU A 43 8.962 14.558 0.589 1.00 0.00 H new ATOM 630 N PHE A 44 6.449 12.030 -0.068 1.00 0.00 N ATOM 631 CA PHE A 44 5.243 11.623 0.624 1.00 0.00 C ATOM 632 C PHE A 44 4.722 12.773 1.474 1.00 0.00 C ATOM 633 O PHE A 44 5.476 13.384 2.228 1.00 0.00 O ATOM 634 CB PHE A 44 5.543 10.404 1.491 1.00 0.00 C ATOM 635 CG PHE A 44 4.444 10.077 2.475 1.00 0.00 C ATOM 636 CD1 PHE A 44 4.354 10.782 3.682 1.00 0.00 C ATOM 637 CD2 PHE A 44 3.515 9.073 2.179 1.00 0.00 C ATOM 638 CE1 PHE A 44 3.335 10.481 4.592 1.00 0.00 C ATOM 639 CE2 PHE A 44 2.496 8.773 3.090 1.00 0.00 C ATOM 640 CZ PHE A 44 2.405 9.476 4.297 1.00 0.00 C ATOM 0 H PHE A 44 7.190 11.329 -0.070 1.00 0.00 H new ATOM 0 HA PHE A 44 4.475 11.357 -0.102 1.00 0.00 H new ATOM 0 HB2 PHE A 44 5.710 9.542 0.846 1.00 0.00 H new ATOM 0 HB3 PHE A 44 6.470 10.577 2.038 1.00 0.00 H new ATOM 0 HD1 PHE A 44 5.071 11.557 3.910 1.00 0.00 H new ATOM 0 HD2 PHE A 44 3.584 8.530 1.248 1.00 0.00 H new ATOM 0 HE1 PHE A 44 3.265 11.024 5.523 1.00 0.00 H new ATOM 0 HE2 PHE A 44 1.779 7.998 2.862 1.00 0.00 H new ATOM 0 HZ PHE A 44 1.619 9.244 5.000 1.00 0.00 H new ATOM 650 N GLU A 45 3.425 13.069 1.350 1.00 0.00 N ATOM 651 CA GLU A 45 2.812 14.141 2.106 1.00 0.00 C ATOM 652 C GLU A 45 2.070 13.572 3.308 1.00 0.00 C ATOM 653 O GLU A 45 2.256 14.030 4.433 1.00 0.00 O ATOM 654 CB GLU A 45 1.861 14.920 1.202 1.00 0.00 C ATOM 655 CG GLU A 45 0.936 15.780 2.058 1.00 0.00 C ATOM 656 CD GLU A 45 0.941 17.225 1.581 1.00 0.00 C ATOM 657 OE1 GLU A 45 1.867 17.956 1.992 1.00 0.00 O ATOM 658 OE2 GLU A 45 0.018 17.571 0.812 1.00 0.00 O ATOM 0 H GLU A 45 2.786 12.574 0.728 1.00 0.00 H new ATOM 0 HA GLU A 45 3.584 14.819 2.471 1.00 0.00 H new ATOM 0 HB2 GLU A 45 2.428 15.549 0.516 1.00 0.00 H new ATOM 0 HB3 GLU A 45 1.275 14.231 0.593 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -0.078 15.383 2.016 1.00 0.00 H new ATOM 0 HG3 GLU A 45 1.253 15.736 3.100 1.00 0.00 H new ATOM 665 N LYS A 46 1.225 12.567 3.064 1.00 0.00 N ATOM 666 CA LYS A 46 0.459 11.940 4.124 1.00 0.00 C ATOM 667 C LYS A 46 -0.368 10.795 3.557 1.00 0.00 C ATOM 668 O LYS A 46 -0.219 10.439 2.388 1.00 0.00 O ATOM 669 CB LYS A 46 -0.439 12.981 4.786 1.00 0.00 C ATOM 670 CG LYS A 46 -1.456 13.493 3.771 1.00 0.00 C ATOM 671 CD LYS A 46 -2.408 14.472 4.453 1.00 0.00 C ATOM 672 CE LYS A 46 -3.813 14.297 3.882 1.00 0.00 C ATOM 673 NZ LYS A 46 -4.690 15.406 4.289 1.00 0.00 N ATOM 0 H LYS A 46 1.060 12.175 2.137 1.00 0.00 H new ATOM 0 HA LYS A 46 1.136 11.534 4.875 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -0.952 12.543 5.642 1.00 0.00 H new ATOM 0 HB3 LYS A 46 0.162 13.808 5.164 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -0.944 13.984 2.943 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -2.016 12.659 3.349 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -2.417 14.297 5.529 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -2.066 15.495 4.299 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -3.764 14.248 2.794 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -4.233 13.352 4.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -5.639 15.263 3.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -4.753 15.436 5.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -4.298 16.304 3.940 1.00 0.00 H new ATOM 687 N LEU A 47 -1.239 10.223 4.388 1.00 0.00 N ATOM 688 CA LEU A 47 -2.090 9.104 3.979 1.00 0.00 C ATOM 689 C LEU A 47 -3.578 9.458 4.058 1.00 0.00 C ATOM 690 O LEU A 47 -4.007 10.204 4.935 1.00 0.00 O ATOM 691 CB LEU A 47 -1.796 7.886 4.857 1.00 0.00 C ATOM 692 CG LEU A 47 -2.938 6.853 4.937 1.00 0.00 C ATOM 693 CD1 LEU A 47 -2.958 5.952 3.705 1.00 0.00 C ATOM 694 CD2 LEU A 47 -2.824 6.010 6.201 1.00 0.00 C ATOM 0 H LEU A 47 -1.375 10.518 5.355 1.00 0.00 H new ATOM 0 HA LEU A 47 -1.862 8.875 2.938 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -0.903 7.390 4.478 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -1.566 8.230 5.865 1.00 0.00 H new ATOM 0 HG LEU A 47 -3.876 7.407 4.971 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -3.774 5.235 3.792 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -3.103 6.560 2.812 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -2.011 5.417 3.630 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -3.641 5.290 6.233 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -1.872 5.479 6.200 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -2.877 6.658 7.076 1.00 0.00 H new ATOM 706 N VAL A 48 -4.358 8.913 3.122 1.00 0.00 N ATOM 707 CA VAL A 48 -5.784 9.165 3.074 1.00 0.00 C ATOM 708 C VAL A 48 -6.534 8.005 3.713 1.00 0.00 C ATOM 709 O VAL A 48 -7.180 8.175 4.745 1.00 0.00 O ATOM 710 CB VAL A 48 -6.218 9.355 1.623 1.00 0.00 C ATOM 711 CG1 VAL A 48 -7.544 10.108 1.582 1.00 0.00 C ATOM 712 CG2 VAL A 48 -5.155 10.155 0.876 1.00 0.00 C ATOM 0 H VAL A 48 -4.016 8.293 2.388 1.00 0.00 H new ATOM 0 HA VAL A 48 -6.016 10.073 3.631 1.00 0.00 H new ATOM 0 HB VAL A 48 -6.340 8.381 1.150 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -7.854 10.244 0.546 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -8.303 9.537 2.116 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -7.424 11.083 2.055 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -5.464 10.291 -0.160 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -5.033 11.129 1.350 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -4.208 9.617 0.905 1.00 0.00 H new ATOM 722 N SER A 49 -6.447 6.824 3.098 1.00 0.00 N ATOM 723 CA SER A 49 -7.115 5.645 3.611 1.00 0.00 C ATOM 724 C SER A 49 -6.436 4.392 3.076 1.00 0.00 C ATOM 725 O SER A 49 -5.456 4.480 2.341 1.00 0.00 O ATOM 726 CB SER A 49 -8.586 5.678 3.206 1.00 0.00 C ATOM 727 OG SER A 49 -9.333 6.340 4.202 1.00 0.00 O ATOM 0 H SER A 49 -5.916 6.667 2.241 1.00 0.00 H new ATOM 0 HA SER A 49 -7.051 5.631 4.699 1.00 0.00 H new ATOM 0 HB2 SER A 49 -8.700 6.190 2.250 1.00 0.00 H new ATOM 0 HB3 SER A 49 -8.960 4.663 3.070 1.00 0.00 H new ATOM 0 HG SER A 49 -8.797 7.066 4.585 1.00 0.00 H new ATOM 733 N VAL A 50 -6.963 3.222 3.447 1.00 0.00 N ATOM 734 CA VAL A 50 -6.409 1.959 3.004 1.00 0.00 C ATOM 735 C VAL A 50 -7.450 0.859 3.154 1.00 0.00 C ATOM 736 O VAL A 50 -8.235 0.869 4.100 1.00 0.00 O ATOM 737 CB VAL A 50 -5.160 1.637 3.821 1.00 0.00 C ATOM 738 CG1 VAL A 50 -5.473 1.785 5.307 1.00 0.00 C ATOM 739 CG2 VAL A 50 -4.719 0.206 3.532 1.00 0.00 C ATOM 0 H VAL A 50 -7.776 3.133 4.056 1.00 0.00 H new ATOM 0 HA VAL A 50 -6.131 2.028 1.952 1.00 0.00 H new ATOM 0 HB VAL A 50 -4.359 2.325 3.549 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -4.582 1.555 5.891 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -5.788 2.808 5.512 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -6.273 1.097 5.581 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -3.827 -0.025 4.115 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -5.519 -0.483 3.804 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -4.495 0.102 2.470 1.00 0.00 H new ATOM 749 N LYS A 51 -7.456 -0.091 2.216 1.00 0.00 N ATOM 750 CA LYS A 51 -8.399 -1.191 2.250 1.00 0.00 C ATOM 751 C LYS A 51 -7.689 -2.469 2.675 1.00 0.00 C ATOM 752 O LYS A 51 -6.517 -2.439 3.041 1.00 0.00 O ATOM 753 CB LYS A 51 -9.035 -1.358 0.873 1.00 0.00 C ATOM 754 CG LYS A 51 -9.809 -0.093 0.514 1.00 0.00 C ATOM 755 CD LYS A 51 -9.131 0.604 -0.662 1.00 0.00 C ATOM 756 CE LYS A 51 -9.557 2.068 -0.701 1.00 0.00 C ATOM 757 NZ LYS A 51 -10.312 2.365 -1.928 1.00 0.00 N ATOM 0 H LYS A 51 -6.813 -0.113 1.425 1.00 0.00 H new ATOM 0 HA LYS A 51 -9.184 -0.978 2.975 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -8.265 -1.551 0.126 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -9.703 -2.219 0.871 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -10.838 -0.344 0.257 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -9.850 0.577 1.373 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -8.048 0.532 -0.565 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -9.401 0.111 -1.596 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -10.170 2.295 0.171 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -8.676 2.708 -0.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -10.590 3.367 -1.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -9.717 2.169 -2.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -11.164 1.769 -1.964 1.00 0.00 H new ATOM 771 N GLN A 52 -8.406 -3.594 2.625 1.00 0.00 N ATOM 772 CA GLN A 52 -7.844 -4.875 3.005 1.00 0.00 C ATOM 773 C GLN A 52 -8.543 -5.992 2.243 1.00 0.00 C ATOM 774 O GLN A 52 -9.770 -6.069 2.237 1.00 0.00 O ATOM 775 CB GLN A 52 -7.997 -5.068 4.511 1.00 0.00 C ATOM 776 CG GLN A 52 -9.424 -4.726 4.926 1.00 0.00 C ATOM 777 CD GLN A 52 -9.726 -5.258 6.321 1.00 0.00 C ATOM 778 OE1 GLN A 52 -8.913 -6.208 6.787 1.00 0.00 O flip ATOM 779 NE2 GLN A 52 -10.676 -4.817 6.963 1.00 0.00 N flip ATOM 0 H GLN A 52 -9.379 -3.635 2.323 1.00 0.00 H new ATOM 0 HA GLN A 52 -6.784 -4.901 2.754 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -7.765 -6.098 4.782 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -7.290 -4.432 5.043 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -9.564 -3.645 4.906 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -10.127 -5.151 4.210 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -11.269 -4.090 6.562 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -10.872 -5.178 7.897 1.00 0.00 H new ATOM 788 N GLN A 53 -7.759 -6.860 1.601 1.00 0.00 N ATOM 789 CA GLN A 53 -8.305 -7.966 0.841 1.00 0.00 C ATOM 790 C GLN A 53 -7.770 -9.283 1.387 1.00 0.00 C ATOM 791 O GLN A 53 -6.713 -9.314 2.012 1.00 0.00 O ATOM 792 CB GLN A 53 -7.935 -7.802 -0.630 1.00 0.00 C ATOM 793 CG GLN A 53 -8.684 -8.838 -1.463 1.00 0.00 C ATOM 794 CD GLN A 53 -8.676 -8.458 -2.937 1.00 0.00 C ATOM 795 OE1 GLN A 53 -9.609 -7.820 -3.421 1.00 0.00 O ATOM 796 NE2 GLN A 53 -7.621 -8.855 -3.652 1.00 0.00 N ATOM 0 H GLN A 53 -6.740 -6.811 1.598 1.00 0.00 H new ATOM 0 HA GLN A 53 -9.391 -7.973 0.932 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -8.186 -6.797 -0.969 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -6.860 -7.923 -0.761 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -8.223 -9.817 -1.333 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -9.712 -8.920 -1.110 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -6.871 -9.383 -3.205 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -7.565 -8.631 -4.645 1.00 0.00 H new ATOM 805 N VAL A 54 -8.506 -10.371 1.149 1.00 0.00 N ATOM 806 CA VAL A 54 -8.103 -11.683 1.616 1.00 0.00 C ATOM 807 C VAL A 54 -7.887 -12.608 0.428 1.00 0.00 C ATOM 808 O VAL A 54 -8.783 -12.785 -0.395 1.00 0.00 O ATOM 809 CB VAL A 54 -9.176 -12.241 2.548 1.00 0.00 C ATOM 810 CG1 VAL A 54 -10.530 -12.203 1.845 1.00 0.00 C ATOM 811 CG2 VAL A 54 -8.832 -13.682 2.913 1.00 0.00 C ATOM 0 H VAL A 54 -9.386 -10.360 0.633 1.00 0.00 H new ATOM 0 HA VAL A 54 -7.166 -11.606 2.167 1.00 0.00 H new ATOM 0 HB VAL A 54 -9.221 -11.637 3.454 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -11.296 -12.601 2.510 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -10.776 -11.174 1.584 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -10.486 -12.807 0.939 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -9.597 -14.081 3.578 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -8.788 -14.286 2.007 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -7.865 -13.709 3.415 1.00 0.00 H new ATOM 821 N VAL A 55 -6.693 -13.199 0.339 1.00 0.00 N ATOM 822 CA VAL A 55 -6.365 -14.102 -0.745 1.00 0.00 C ATOM 823 C VAL A 55 -5.268 -15.061 -0.304 1.00 0.00 C ATOM 824 O VAL A 55 -5.452 -15.824 0.642 1.00 0.00 O ATOM 825 CB VAL A 55 -5.920 -13.295 -1.961 1.00 0.00 C ATOM 826 CG1 VAL A 55 -7.043 -12.352 -2.384 1.00 0.00 C ATOM 827 CG2 VAL A 55 -4.679 -12.481 -1.605 1.00 0.00 C ATOM 0 H VAL A 55 -5.940 -13.061 1.013 1.00 0.00 H new ATOM 0 HA VAL A 55 -7.244 -14.687 -1.015 1.00 0.00 H new ATOM 0 HB VAL A 55 -5.686 -13.973 -2.782 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -6.726 -11.775 -3.253 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -7.930 -12.933 -2.638 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -7.277 -11.674 -1.564 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -4.361 -11.904 -2.473 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -4.912 -11.802 -0.784 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -3.877 -13.154 -1.303 1.00 0.00 H new ATOM 837 N ALA A 56 -4.124 -15.019 -0.991 1.00 0.00 N ATOM 838 CA ALA A 56 -3.006 -15.882 -0.667 1.00 0.00 C ATOM 839 C ALA A 56 -2.251 -15.320 0.529 1.00 0.00 C ATOM 840 O ALA A 56 -1.109 -15.698 0.779 1.00 0.00 O ATOM 841 CB ALA A 56 -2.088 -15.999 -1.880 1.00 0.00 C ATOM 0 H ALA A 56 -3.956 -14.391 -1.777 1.00 0.00 H new ATOM 0 HA ALA A 56 -3.371 -16.876 -0.407 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -1.246 -16.648 -1.638 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -2.643 -16.422 -2.717 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -1.718 -15.011 -2.153 1.00 0.00 H new ATOM 847 N GLY A 57 -2.893 -14.414 1.270 1.00 0.00 N ATOM 848 CA GLY A 57 -2.277 -13.808 2.433 1.00 0.00 C ATOM 849 C GLY A 57 -3.119 -12.640 2.927 1.00 0.00 C ATOM 850 O GLY A 57 -4.335 -12.754 3.052 1.00 0.00 O ATOM 0 H GLY A 57 -3.841 -14.089 1.078 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -2.171 -14.549 3.225 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -1.274 -13.462 2.183 1.00 0.00 H new ATOM 854 N THR A 58 -2.464 -11.510 3.209 1.00 0.00 N ATOM 855 CA THR A 58 -3.155 -10.330 3.686 1.00 0.00 C ATOM 856 C THR A 58 -2.779 -9.128 2.831 1.00 0.00 C ATOM 857 O THR A 58 -1.677 -8.592 2.957 1.00 0.00 O ATOM 858 CB THR A 58 -2.792 -10.086 5.149 1.00 0.00 C ATOM 859 OG1 THR A 58 -3.084 -11.240 5.904 1.00 0.00 O ATOM 860 CG2 THR A 58 -3.602 -8.909 5.684 1.00 0.00 C ATOM 0 H THR A 58 -1.455 -11.397 3.112 1.00 0.00 H new ATOM 0 HA THR A 58 -4.232 -10.481 3.611 1.00 0.00 H new ATOM 0 HB THR A 58 -1.728 -9.860 5.227 1.00 0.00 H new ATOM 0 HG1 THR A 58 -2.850 -11.085 6.843 1.00 0.00 H new ATOM 0 HG21 THR A 58 -3.343 -8.734 6.728 1.00 0.00 H new ATOM 0 HG22 THR A 58 -3.376 -8.017 5.100 1.00 0.00 H new ATOM 0 HG23 THR A 58 -4.666 -9.134 5.606 1.00 0.00 H new ATOM 868 N LEU A 59 -3.696 -8.707 1.961 1.00 0.00 N ATOM 869 CA LEU A 59 -3.465 -7.571 1.069 1.00 0.00 C ATOM 870 C LEU A 59 -4.117 -6.289 1.593 1.00 0.00 C ATOM 871 O LEU A 59 -5.188 -6.321 2.194 1.00 0.00 O ATOM 872 CB LEU A 59 -4.002 -7.896 -0.328 1.00 0.00 C ATOM 873 CG LEU A 59 -3.346 -7.101 -1.476 1.00 0.00 C ATOM 874 CD1 LEU A 59 -3.599 -5.604 -1.329 1.00 0.00 C ATOM 875 CD2 LEU A 59 -1.848 -7.377 -1.543 1.00 0.00 C ATOM 0 H LEU A 59 -4.613 -9.140 1.855 1.00 0.00 H new ATOM 0 HA LEU A 59 -2.390 -7.397 1.023 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -3.863 -8.961 -0.517 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -5.076 -7.708 -0.342 1.00 0.00 H new ATOM 0 HG LEU A 59 -3.804 -7.434 -2.407 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -3.124 -5.072 -2.153 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -4.672 -5.413 -1.344 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -3.182 -5.256 -0.384 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -1.409 -6.805 -2.360 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -1.381 -7.083 -0.603 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -1.681 -8.441 -1.714 1.00 0.00 H new ATOM 887 N TYR A 60 -3.448 -5.157 1.360 1.00 0.00 N ATOM 888 CA TYR A 60 -3.947 -3.871 1.807 1.00 0.00 C ATOM 889 C TYR A 60 -3.744 -2.831 0.714 1.00 0.00 C ATOM 890 O TYR A 60 -2.633 -2.651 0.224 1.00 0.00 O ATOM 891 CB TYR A 60 -3.221 -3.462 3.085 1.00 0.00 C ATOM 892 CG TYR A 60 -3.873 -3.988 4.342 1.00 0.00 C ATOM 893 CD1 TYR A 60 -3.539 -5.259 4.825 1.00 0.00 C ATOM 894 CD2 TYR A 60 -4.808 -3.202 5.026 1.00 0.00 C ATOM 895 CE1 TYR A 60 -4.143 -5.745 5.990 1.00 0.00 C ATOM 896 CE2 TYR A 60 -5.413 -3.690 6.191 1.00 0.00 C ATOM 897 CZ TYR A 60 -5.080 -4.960 6.674 1.00 0.00 C ATOM 898 OH TYR A 60 -5.669 -5.435 7.809 1.00 0.00 O ATOM 0 H TYR A 60 -2.558 -5.114 0.863 1.00 0.00 H new ATOM 0 HA TYR A 60 -5.014 -3.943 2.018 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -2.193 -3.821 3.041 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -3.176 -2.374 3.136 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -2.816 -5.864 4.299 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -5.063 -2.220 4.656 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -3.887 -6.726 6.362 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -6.137 -3.085 6.717 1.00 0.00 H new ATOM 0 HH TYR A 60 -6.293 -4.765 8.159 1.00 0.00 H new ATOM 908 N TYR A 61 -4.825 -2.144 0.335 1.00 0.00 N ATOM 909 CA TYR A 61 -4.760 -1.129 -0.697 1.00 0.00 C ATOM 910 C TYR A 61 -4.699 0.252 -0.058 1.00 0.00 C ATOM 911 O TYR A 61 -5.732 0.849 0.236 1.00 0.00 O ATOM 912 CB TYR A 61 -5.978 -1.251 -1.606 1.00 0.00 C ATOM 913 CG TYR A 61 -6.125 -2.615 -2.239 1.00 0.00 C ATOM 914 CD1 TYR A 61 -6.321 -3.743 -1.434 1.00 0.00 C ATOM 915 CD2 TYR A 61 -6.063 -2.750 -3.631 1.00 0.00 C ATOM 916 CE1 TYR A 61 -6.456 -5.006 -2.020 1.00 0.00 C ATOM 917 CE2 TYR A 61 -6.198 -4.015 -4.217 1.00 0.00 C ATOM 918 CZ TYR A 61 -6.395 -5.143 -3.412 1.00 0.00 C ATOM 919 OH TYR A 61 -6.525 -6.374 -3.983 1.00 0.00 O ATOM 0 H TYR A 61 -5.754 -2.279 0.734 1.00 0.00 H new ATOM 0 HA TYR A 61 -3.861 -1.270 -1.296 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -6.876 -1.029 -1.029 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -5.911 -0.500 -2.393 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -6.368 -3.638 -0.360 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -5.911 -1.880 -4.252 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -6.607 -5.876 -1.398 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -6.150 -4.120 -5.291 1.00 0.00 H new ATOM 0 HH TYR A 61 -6.460 -6.291 -4.957 1.00 0.00 H new ATOM 929 N PHE A 62 -3.483 0.759 0.155 1.00 0.00 N ATOM 930 CA PHE A 62 -3.295 2.064 0.756 1.00 0.00 C ATOM 931 C PHE A 62 -3.443 3.147 -0.304 1.00 0.00 C ATOM 932 O PHE A 62 -2.933 3.008 -1.413 1.00 0.00 O ATOM 933 CB PHE A 62 -1.917 2.129 1.407 1.00 0.00 C ATOM 934 CG PHE A 62 -1.772 1.220 2.604 1.00 0.00 C ATOM 935 CD1 PHE A 62 -1.415 -0.122 2.425 1.00 0.00 C ATOM 936 CD2 PHE A 62 -1.998 1.719 3.893 1.00 0.00 C ATOM 937 CE1 PHE A 62 -1.283 -0.965 3.535 1.00 0.00 C ATOM 938 CE2 PHE A 62 -1.866 0.875 5.003 1.00 0.00 C ATOM 939 CZ PHE A 62 -1.508 -0.467 4.824 1.00 0.00 C ATOM 0 H PHE A 62 -2.616 0.277 -0.084 1.00 0.00 H new ATOM 0 HA PHE A 62 -4.053 2.228 1.522 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -1.162 1.865 0.667 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -1.717 3.156 1.714 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -1.241 -0.507 1.431 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -2.274 2.754 4.031 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -1.007 -2.000 3.397 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -2.040 1.259 5.997 1.00 0.00 H new ATOM 0 HZ PHE A 62 -1.406 -1.118 5.680 1.00 0.00 H new ATOM 949 N THR A 63 -4.145 4.228 0.041 1.00 0.00 N ATOM 950 CA THR A 63 -4.354 5.326 -0.882 1.00 0.00 C ATOM 951 C THR A 63 -3.818 6.617 -0.280 1.00 0.00 C ATOM 952 O THR A 63 -4.577 7.415 0.266 1.00 0.00 O ATOM 953 CB THR A 63 -5.842 5.452 -1.192 1.00 0.00 C ATOM 954 OG1 THR A 63 -6.314 4.237 -1.732 1.00 0.00 O ATOM 955 CG2 THR A 63 -6.059 6.575 -2.202 1.00 0.00 C ATOM 0 H THR A 63 -4.576 4.359 0.956 1.00 0.00 H new ATOM 0 HA THR A 63 -3.817 5.132 -1.811 1.00 0.00 H new ATOM 0 HB THR A 63 -6.386 5.679 -0.275 1.00 0.00 H new ATOM 0 HG1 THR A 63 -7.271 4.317 -1.930 1.00 0.00 H new ATOM 0 HG21 THR A 63 -7.123 6.665 -2.423 1.00 0.00 H new ATOM 0 HG22 THR A 63 -5.694 7.514 -1.786 1.00 0.00 H new ATOM 0 HG23 THR A 63 -5.515 6.349 -3.119 1.00 0.00 H new ATOM 963 N ILE A 64 -2.503 6.822 -0.385 1.00 0.00 N ATOM 964 CA ILE A 64 -1.868 8.013 0.144 1.00 0.00 C ATOM 965 C ILE A 64 -1.622 9.009 -0.982 1.00 0.00 C ATOM 966 O ILE A 64 -1.913 8.722 -2.141 1.00 0.00 O ATOM 967 CB ILE A 64 -0.557 7.631 0.825 1.00 0.00 C ATOM 968 CG1 ILE A 64 0.498 7.327 -0.235 1.00 0.00 C ATOM 969 CG2 ILE A 64 -0.777 6.395 1.692 1.00 0.00 C ATOM 970 CD1 ILE A 64 0.211 5.967 -0.864 1.00 0.00 C ATOM 0 H ILE A 64 -1.861 6.170 -0.836 1.00 0.00 H new ATOM 0 HA ILE A 64 -2.521 8.481 0.881 1.00 0.00 H new ATOM 0 HB ILE A 64 -0.217 8.458 1.449 1.00 0.00 H new ATOM 0 HG12 ILE A 64 0.493 8.102 -1.001 1.00 0.00 H new ATOM 0 HG13 ILE A 64 1.491 7.329 0.214 1.00 0.00 H new ATOM 0 HG21 ILE A 64 0.159 6.121 2.179 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -1.531 6.611 2.449 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -1.117 5.568 1.068 1.00 0.00 H new ATOM 0 HD11 ILE A 64 0.965 5.750 -1.621 1.00 0.00 H new ATOM 0 HD12 ILE A 64 0.238 5.197 -0.093 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -0.775 5.981 -1.328 1.00 0.00 H new ATOM 982 N GLU A 65 -1.084 10.181 -0.638 1.00 0.00 N ATOM 983 CA GLU A 65 -0.803 11.208 -1.620 1.00 0.00 C ATOM 984 C GLU A 65 0.613 11.735 -1.431 1.00 0.00 C ATOM 985 O GLU A 65 1.009 12.074 -0.318 1.00 0.00 O ATOM 986 CB GLU A 65 -1.822 12.335 -1.483 1.00 0.00 C ATOM 987 CG GLU A 65 -1.195 13.647 -1.942 1.00 0.00 C ATOM 988 CD GLU A 65 -2.223 14.527 -2.638 1.00 0.00 C ATOM 989 OE1 GLU A 65 -3.008 15.169 -1.907 1.00 0.00 O ATOM 990 OE2 GLU A 65 -2.205 14.542 -3.888 1.00 0.00 O ATOM 0 H GLU A 65 -0.837 10.435 0.319 1.00 0.00 H new ATOM 0 HA GLU A 65 -0.879 10.786 -2.622 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -2.707 12.114 -2.080 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -2.150 12.419 -0.447 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -0.779 14.176 -1.084 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -0.368 13.441 -2.621 1.00 0.00 H new ATOM 997 N VAL A 66 1.376 11.802 -2.524 1.00 0.00 N ATOM 998 CA VAL A 66 2.741 12.286 -2.476 1.00 0.00 C ATOM 999 C VAL A 66 2.998 13.218 -3.651 1.00 0.00 C ATOM 1000 O VAL A 66 2.421 13.044 -4.723 1.00 0.00 O ATOM 1001 CB VAL A 66 3.701 11.101 -2.505 1.00 0.00 C ATOM 1002 CG1 VAL A 66 3.140 9.970 -1.649 1.00 0.00 C ATOM 1003 CG2 VAL A 66 3.868 10.617 -3.943 1.00 0.00 C ATOM 0 H VAL A 66 1.062 11.524 -3.454 1.00 0.00 H new ATOM 0 HA VAL A 66 2.902 12.844 -1.553 1.00 0.00 H new ATOM 0 HB VAL A 66 4.669 11.408 -2.110 1.00 0.00 H new ATOM 0 HG11 VAL A 66 3.826 9.123 -1.670 1.00 0.00 H new ATOM 0 HG12 VAL A 66 3.021 10.316 -0.622 1.00 0.00 H new ATOM 0 HG13 VAL A 66 2.171 9.662 -2.043 1.00 0.00 H new ATOM 0 HG21 VAL A 66 4.554 9.770 -3.965 1.00 0.00 H new ATOM 0 HG22 VAL A 66 2.900 10.310 -4.338 1.00 0.00 H new ATOM 0 HG23 VAL A 66 4.270 11.425 -4.554 1.00 0.00 H new ATOM 1013 N LYS A 67 3.868 14.211 -3.449 1.00 0.00 N ATOM 1014 CA LYS A 67 4.196 15.163 -4.492 1.00 0.00 C ATOM 1015 C LYS A 67 5.451 14.714 -5.227 1.00 0.00 C ATOM 1016 O LYS A 67 6.559 14.860 -4.717 1.00 0.00 O ATOM 1017 CB LYS A 67 4.396 16.543 -3.874 1.00 0.00 C ATOM 1018 CG LYS A 67 5.435 16.455 -2.759 1.00 0.00 C ATOM 1019 CD LYS A 67 4.775 16.780 -1.422 1.00 0.00 C ATOM 1020 CE LYS A 67 4.442 18.268 -1.367 1.00 0.00 C ATOM 1021 NZ LYS A 67 3.052 18.515 -1.777 1.00 0.00 N ATOM 0 H LYS A 67 4.355 14.370 -2.567 1.00 0.00 H new ATOM 0 HA LYS A 67 3.379 15.216 -5.211 1.00 0.00 H new ATOM 0 HB2 LYS A 67 4.723 17.250 -4.636 1.00 0.00 H new ATOM 0 HB3 LYS A 67 3.452 16.916 -3.477 1.00 0.00 H new ATOM 0 HG2 LYS A 67 5.868 15.455 -2.729 1.00 0.00 H new ATOM 0 HG3 LYS A 67 6.251 17.151 -2.952 1.00 0.00 H new ATOM 0 HD2 LYS A 67 3.868 16.189 -1.299 1.00 0.00 H new ATOM 0 HD3 LYS A 67 5.442 16.515 -0.601 1.00 0.00 H new ATOM 0 HE2 LYS A 67 4.598 18.641 -0.355 1.00 0.00 H new ATOM 0 HE3 LYS A 67 5.120 18.820 -2.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 2.661 19.304 -1.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 3.026 18.756 -2.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 2.484 17.660 -1.611 1.00 0.00 H new ATOM 1035 N GLU A 68 5.274 14.164 -6.430 1.00 0.00 N ATOM 1036 CA GLU A 68 6.390 13.699 -7.228 1.00 0.00 C ATOM 1037 C GLU A 68 7.028 14.869 -7.963 1.00 0.00 C ATOM 1038 O GLU A 68 6.386 15.512 -8.791 1.00 0.00 O ATOM 1039 CB GLU A 68 5.904 12.642 -8.214 1.00 0.00 C ATOM 1040 CG GLU A 68 6.869 12.562 -9.394 1.00 0.00 C ATOM 1041 CD GLU A 68 6.407 11.523 -10.405 1.00 0.00 C ATOM 1042 OE1 GLU A 68 5.999 10.432 -9.951 1.00 0.00 O ATOM 1043 OE2 GLU A 68 6.471 11.839 -11.612 1.00 0.00 O ATOM 0 H GLU A 68 4.362 14.033 -6.867 1.00 0.00 H new ATOM 0 HA GLU A 68 7.143 13.253 -6.578 1.00 0.00 H new ATOM 0 HB2 GLU A 68 5.836 11.673 -7.720 1.00 0.00 H new ATOM 0 HB3 GLU A 68 4.903 12.891 -8.566 1.00 0.00 H new ATOM 0 HG2 GLU A 68 6.942 13.537 -9.876 1.00 0.00 H new ATOM 0 HG3 GLU A 68 7.867 12.308 -9.036 1.00 0.00 H new ATOM 1050 N GLY A 69 8.298 15.146 -7.658 1.00 0.00 N ATOM 1051 CA GLY A 69 9.013 16.236 -8.290 1.00 0.00 C ATOM 1052 C GLY A 69 8.223 17.531 -8.160 1.00 0.00 C ATOM 1053 O GLY A 69 8.161 18.119 -7.083 1.00 0.00 O ATOM 0 H GLY A 69 8.846 14.624 -6.974 1.00 0.00 H new ATOM 0 HA2 GLY A 69 9.994 16.352 -7.829 1.00 0.00 H new ATOM 0 HA3 GLY A 69 9.181 16.008 -9.343 1.00 0.00 H new ATOM 1057 N ASP A 70 7.618 17.974 -9.264 1.00 0.00 N ATOM 1058 CA ASP A 70 6.837 19.195 -9.270 1.00 0.00 C ATOM 1059 C ASP A 70 5.368 18.866 -9.495 1.00 0.00 C ATOM 1060 O ASP A 70 4.652 19.629 -10.141 1.00 0.00 O ATOM 1061 CB ASP A 70 7.358 20.125 -10.363 1.00 0.00 C ATOM 1062 CG ASP A 70 8.830 20.446 -10.148 1.00 0.00 C ATOM 1063 OD1 ASP A 70 9.127 21.079 -9.112 1.00 0.00 O ATOM 1064 OD2 ASP A 70 9.630 20.054 -11.025 1.00 0.00 O ATOM 0 H ASP A 70 7.659 17.497 -10.165 1.00 0.00 H new ATOM 0 HA ASP A 70 6.932 19.698 -8.308 1.00 0.00 H new ATOM 0 HB2 ASP A 70 7.222 19.658 -11.338 1.00 0.00 H new ATOM 0 HB3 ASP A 70 6.778 21.048 -10.368 1.00 0.00 H new ATOM 1069 N ALA A 71 4.921 17.727 -8.961 1.00 0.00 N ATOM 1070 CA ALA A 71 3.543 17.304 -9.108 1.00 0.00 C ATOM 1071 C ALA A 71 3.040 16.721 -7.795 1.00 0.00 C ATOM 1072 O ALA A 71 3.830 16.437 -6.897 1.00 0.00 O ATOM 1073 CB ALA A 71 3.445 16.274 -10.230 1.00 0.00 C ATOM 0 H ALA A 71 5.503 17.085 -8.423 1.00 0.00 H new ATOM 0 HA ALA A 71 2.920 18.161 -9.364 1.00 0.00 H new ATOM 0 HB1 ALA A 71 2.409 15.955 -10.342 1.00 0.00 H new ATOM 0 HB2 ALA A 71 3.790 16.719 -11.163 1.00 0.00 H new ATOM 0 HB3 ALA A 71 4.066 15.412 -9.988 1.00 0.00 H new ATOM 1079 N LYS A 72 1.722 16.545 -7.685 1.00 0.00 N ATOM 1080 CA LYS A 72 1.123 15.997 -6.484 1.00 0.00 C ATOM 1081 C LYS A 72 -0.116 15.190 -6.845 1.00 0.00 C ATOM 1082 O LYS A 72 -0.969 15.657 -7.597 1.00 0.00 O ATOM 1083 CB LYS A 72 0.768 17.135 -5.530 1.00 0.00 C ATOM 1084 CG LYS A 72 -0.134 18.135 -6.247 1.00 0.00 C ATOM 1085 CD LYS A 72 0.524 19.512 -6.239 1.00 0.00 C ATOM 1086 CE LYS A 72 -0.544 20.588 -6.409 1.00 0.00 C ATOM 1087 NZ LYS A 72 -0.076 21.660 -7.301 1.00 0.00 N ATOM 0 H LYS A 72 1.054 16.777 -8.420 1.00 0.00 H new ATOM 0 HA LYS A 72 1.832 15.333 -5.990 1.00 0.00 H new ATOM 0 HB2 LYS A 72 0.263 16.741 -4.648 1.00 0.00 H new ATOM 0 HB3 LYS A 72 1.675 17.630 -5.184 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -0.311 17.811 -7.273 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -1.106 18.182 -5.755 1.00 0.00 H new ATOM 0 HD2 LYS A 72 1.063 19.664 -5.304 1.00 0.00 H new ATOM 0 HD3 LYS A 72 1.256 19.581 -7.043 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -1.452 20.143 -6.815 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -0.802 21.006 -5.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -0.821 22.379 -7.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 0.777 22.098 -6.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 0.147 21.262 -8.235 1.00 0.00 H new ATOM 1101 N LYS A 73 -0.213 13.973 -6.305 1.00 0.00 N ATOM 1102 CA LYS A 73 -1.344 13.108 -6.571 1.00 0.00 C ATOM 1103 C LYS A 73 -1.448 12.042 -5.490 1.00 0.00 C ATOM 1104 O LYS A 73 -0.963 12.237 -4.374 1.00 0.00 O ATOM 1105 CB LYS A 73 -1.181 12.467 -7.946 1.00 0.00 C ATOM 1106 CG LYS A 73 0.060 11.579 -7.949 1.00 0.00 C ATOM 1107 CD LYS A 73 1.225 12.334 -8.580 1.00 0.00 C ATOM 1108 CE LYS A 73 1.084 12.310 -10.100 1.00 0.00 C ATOM 1109 NZ LYS A 73 1.288 10.953 -10.628 1.00 0.00 N ATOM 0 H LYS A 73 0.486 13.571 -5.680 1.00 0.00 H new ATOM 0 HA LYS A 73 -2.263 13.695 -6.563 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -2.064 11.877 -8.191 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -1.091 13.239 -8.711 1.00 0.00 H new ATOM 0 HG2 LYS A 73 0.312 11.285 -6.930 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -0.137 10.663 -8.505 1.00 0.00 H new ATOM 0 HD2 LYS A 73 1.242 13.363 -8.222 1.00 0.00 H new ATOM 0 HD3 LYS A 73 2.170 11.878 -8.285 1.00 0.00 H new ATOM 0 HE2 LYS A 73 0.094 12.669 -10.382 1.00 0.00 H new ATOM 0 HE3 LYS A 73 1.809 12.990 -10.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 1.590 11.009 -11.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 2.021 10.470 -10.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 0.398 10.419 -10.566 1.00 0.00 H new ATOM 1123 N LEU A 74 -2.082 10.917 -5.819 1.00 0.00 N ATOM 1124 CA LEU A 74 -2.263 9.816 -4.874 1.00 0.00 C ATOM 1125 C LEU A 74 -1.831 8.473 -5.468 1.00 0.00 C ATOM 1126 O LEU A 74 -2.182 8.135 -6.596 1.00 0.00 O ATOM 1127 CB LEU A 74 -3.730 9.747 -4.442 1.00 0.00 C ATOM 1128 CG LEU A 74 -4.672 9.058 -5.452 1.00 0.00 C ATOM 1129 CD1 LEU A 74 -6.068 8.865 -4.866 1.00 0.00 C ATOM 1130 CD2 LEU A 74 -4.752 9.852 -6.751 1.00 0.00 C ATOM 0 H LEU A 74 -2.482 10.744 -6.741 1.00 0.00 H new ATOM 0 HA LEU A 74 -1.628 10.011 -4.010 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -3.789 9.217 -3.492 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -4.090 10.761 -4.265 1.00 0.00 H new ATOM 0 HG LEU A 74 -4.255 8.075 -5.670 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -6.707 8.377 -5.602 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -6.005 8.244 -3.972 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -6.490 9.835 -4.605 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -5.422 9.346 -7.446 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -5.133 10.852 -6.543 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -3.759 9.927 -7.194 1.00 0.00 H new ATOM 1142 N TYR A 75 -1.057 7.711 -4.690 1.00 0.00 N ATOM 1143 CA TYR A 75 -0.570 6.420 -5.131 1.00 0.00 C ATOM 1144 C TYR A 75 -1.249 5.314 -4.335 1.00 0.00 C ATOM 1145 O TYR A 75 -1.557 5.491 -3.159 1.00 0.00 O ATOM 1146 CB TYR A 75 0.944 6.361 -4.954 1.00 0.00 C ATOM 1147 CG TYR A 75 1.686 7.398 -5.763 1.00 0.00 C ATOM 1148 CD1 TYR A 75 1.433 8.759 -5.558 1.00 0.00 C ATOM 1149 CD2 TYR A 75 2.627 6.998 -6.720 1.00 0.00 C ATOM 1150 CE1 TYR A 75 2.120 9.721 -6.309 1.00 0.00 C ATOM 1151 CE2 TYR A 75 3.314 7.959 -7.471 1.00 0.00 C ATOM 1152 CZ TYR A 75 3.060 9.321 -7.266 1.00 0.00 C ATOM 1153 OH TYR A 75 3.730 10.257 -7.997 1.00 0.00 O ATOM 0 H TYR A 75 -0.759 7.975 -3.751 1.00 0.00 H new ATOM 0 HA TYR A 75 -0.805 6.279 -6.186 1.00 0.00 H new ATOM 0 HB2 TYR A 75 1.184 6.495 -3.899 1.00 0.00 H new ATOM 0 HB3 TYR A 75 1.297 5.370 -5.238 1.00 0.00 H new ATOM 0 HD1 TYR A 75 0.707 9.068 -4.820 1.00 0.00 H new ATOM 0 HD2 TYR A 75 2.823 5.948 -6.879 1.00 0.00 H new ATOM 0 HE1 TYR A 75 1.925 10.771 -6.150 1.00 0.00 H new ATOM 0 HE2 TYR A 75 4.040 7.650 -8.209 1.00 0.00 H new ATOM 0 HH TYR A 75 4.415 9.817 -8.542 1.00 0.00 H new ATOM 1163 N GLU A 76 -1.483 4.169 -4.982 1.00 0.00 N ATOM 1164 CA GLU A 76 -2.121 3.043 -4.331 1.00 0.00 C ATOM 1165 C GLU A 76 -1.067 2.075 -3.814 1.00 0.00 C ATOM 1166 O GLU A 76 -0.647 1.168 -4.530 1.00 0.00 O ATOM 1167 CB GLU A 76 -3.055 2.349 -5.319 1.00 0.00 C ATOM 1168 CG GLU A 76 -3.590 3.371 -6.318 1.00 0.00 C ATOM 1169 CD GLU A 76 -4.330 2.683 -7.456 1.00 0.00 C ATOM 1170 OE1 GLU A 76 -3.661 1.927 -8.191 1.00 0.00 O ATOM 1171 OE2 GLU A 76 -5.551 2.927 -7.568 1.00 0.00 O ATOM 0 H GLU A 76 -1.236 4.006 -5.958 1.00 0.00 H new ATOM 0 HA GLU A 76 -2.706 3.395 -3.481 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -2.522 1.556 -5.844 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -3.881 1.879 -4.786 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -4.260 4.065 -5.811 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -2.765 3.960 -6.719 1.00 0.00 H new ATOM 1178 N ALA A 77 -0.640 2.270 -2.564 1.00 0.00 N ATOM 1179 CA ALA A 77 0.361 1.416 -1.957 1.00 0.00 C ATOM 1180 C ALA A 77 -0.261 0.080 -1.578 1.00 0.00 C ATOM 1181 O ALA A 77 -1.054 0.004 -0.642 1.00 0.00 O ATOM 1182 CB ALA A 77 0.942 2.111 -0.728 1.00 0.00 C ATOM 0 H ALA A 77 -0.979 3.017 -1.958 1.00 0.00 H new ATOM 0 HA ALA A 77 1.166 1.230 -2.668 1.00 0.00 H new ATOM 0 HB1 ALA A 77 1.695 1.470 -0.270 1.00 0.00 H new ATOM 0 HB2 ALA A 77 1.400 3.054 -1.026 1.00 0.00 H new ATOM 0 HB3 ALA A 77 0.146 2.306 -0.010 1.00 0.00 H new ATOM 1188 N LYS A 78 0.099 -0.977 -2.310 1.00 0.00 N ATOM 1189 CA LYS A 78 -0.425 -2.302 -2.048 1.00 0.00 C ATOM 1190 C LYS A 78 0.650 -3.166 -1.403 1.00 0.00 C ATOM 1191 O LYS A 78 1.654 -3.488 -2.034 1.00 0.00 O ATOM 1192 CB LYS A 78 -0.907 -2.925 -3.354 1.00 0.00 C ATOM 1193 CG LYS A 78 -2.428 -2.831 -3.432 1.00 0.00 C ATOM 1194 CD LYS A 78 -2.837 -1.377 -3.647 1.00 0.00 C ATOM 1195 CE LYS A 78 -3.052 -1.122 -5.136 1.00 0.00 C ATOM 1196 NZ LYS A 78 -4.182 -0.209 -5.358 1.00 0.00 N ATOM 0 H LYS A 78 0.755 -0.931 -3.090 1.00 0.00 H new ATOM 0 HA LYS A 78 -1.268 -2.233 -1.360 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -0.456 -2.411 -4.203 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -0.593 -3.967 -3.410 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -2.800 -3.449 -4.249 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -2.874 -3.214 -2.514 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -3.751 -1.160 -3.095 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -2.066 -0.711 -3.261 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -2.147 -0.698 -5.570 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -3.238 -2.067 -5.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -3.968 0.420 -6.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -5.037 -0.761 -5.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -4.342 0.360 -4.502 1.00 0.00 H new ATOM 1210 N VAL A 79 0.436 -3.539 -0.139 1.00 0.00 N ATOM 1211 CA VAL A 79 1.383 -4.361 0.586 1.00 0.00 C ATOM 1212 C VAL A 79 0.783 -5.738 0.838 1.00 0.00 C ATOM 1213 O VAL A 79 -0.433 -5.905 0.797 1.00 0.00 O ATOM 1214 CB VAL A 79 1.745 -3.680 1.903 1.00 0.00 C ATOM 1215 CG1 VAL A 79 2.660 -4.592 2.715 1.00 0.00 C ATOM 1216 CG2 VAL A 79 2.462 -2.365 1.614 1.00 0.00 C ATOM 0 H VAL A 79 -0.391 -3.279 0.398 1.00 0.00 H new ATOM 0 HA VAL A 79 2.291 -4.484 -0.005 1.00 0.00 H new ATOM 0 HB VAL A 79 0.836 -3.481 2.471 1.00 0.00 H new ATOM 0 HG11 VAL A 79 2.918 -4.105 3.655 1.00 0.00 H new ATOM 0 HG12 VAL A 79 2.147 -5.531 2.922 1.00 0.00 H new ATOM 0 HG13 VAL A 79 3.570 -4.792 2.149 1.00 0.00 H new ATOM 0 HG21 VAL A 79 2.721 -1.878 2.554 1.00 0.00 H new ATOM 0 HG22 VAL A 79 3.371 -2.563 1.046 1.00 0.00 H new ATOM 0 HG23 VAL A 79 1.807 -1.713 1.036 1.00 0.00 H new ATOM 1226 N TRP A 80 1.642 -6.727 1.099 1.00 0.00 N ATOM 1227 CA TRP A 80 1.190 -8.078 1.357 1.00 0.00 C ATOM 1228 C TRP A 80 1.807 -8.594 2.649 1.00 0.00 C ATOM 1229 O TRP A 80 2.894 -9.168 2.638 1.00 0.00 O ATOM 1230 CB TRP A 80 1.572 -8.973 0.181 1.00 0.00 C ATOM 1231 CG TRP A 80 0.761 -10.225 0.054 1.00 0.00 C ATOM 1232 CD1 TRP A 80 -0.439 -10.439 0.633 1.00 0.00 C ATOM 1233 CD2 TRP A 80 1.069 -11.443 -0.690 1.00 0.00 C ATOM 1234 NE1 TRP A 80 -0.893 -11.698 0.302 1.00 0.00 N ATOM 1235 CE2 TRP A 80 0.000 -12.362 -0.514 1.00 0.00 C ATOM 1236 CE3 TRP A 80 2.142 -11.865 -1.495 1.00 0.00 C ATOM 1237 CZ2 TRP A 80 -0.006 -13.630 -1.102 1.00 0.00 C ATOM 1238 CZ3 TRP A 80 2.145 -13.135 -2.090 1.00 0.00 C ATOM 1239 CH2 TRP A 80 1.076 -14.017 -1.897 1.00 0.00 C ATOM 0 H TRP A 80 2.654 -6.607 1.135 1.00 0.00 H new ATOM 0 HA TRP A 80 0.106 -8.087 1.469 1.00 0.00 H new ATOM 0 HB2 TRP A 80 1.475 -8.399 -0.741 1.00 0.00 H new ATOM 0 HB3 TRP A 80 2.623 -9.246 0.277 1.00 0.00 H new ATOM 0 HD1 TRP A 80 -0.963 -9.733 1.259 1.00 0.00 H new ATOM 0 HE1 TRP A 80 -1.779 -12.090 0.621 1.00 0.00 H new ATOM 0 HE3 TRP A 80 2.977 -11.200 -1.658 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 -0.836 -14.302 -0.944 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 2.981 -13.435 -2.704 1.00 0.00 H new ATOM 0 HH2 TRP A 80 1.087 -14.992 -2.360 1.00 0.00 H new ATOM 1250 N GLU A 81 1.108 -8.387 3.768 1.00 0.00 N ATOM 1251 CA GLU A 81 1.589 -8.833 5.060 1.00 0.00 C ATOM 1252 C GLU A 81 1.101 -10.248 5.337 1.00 0.00 C ATOM 1253 O GLU A 81 0.120 -10.697 4.750 1.00 0.00 O ATOM 1254 CB GLU A 81 1.102 -7.871 6.141 1.00 0.00 C ATOM 1255 CG GLU A 81 2.301 -7.189 6.794 1.00 0.00 C ATOM 1256 CD GLU A 81 3.072 -8.168 7.668 1.00 0.00 C ATOM 1257 OE1 GLU A 81 3.353 -9.278 7.167 1.00 0.00 O ATOM 1258 OE2 GLU A 81 3.366 -7.788 8.823 1.00 0.00 O ATOM 0 H GLU A 81 0.206 -7.911 3.796 1.00 0.00 H new ATOM 0 HA GLU A 81 2.679 -8.842 5.062 1.00 0.00 H new ATOM 0 HB2 GLU A 81 0.438 -7.124 5.706 1.00 0.00 H new ATOM 0 HB3 GLU A 81 0.525 -8.412 6.891 1.00 0.00 H new ATOM 0 HG2 GLU A 81 2.959 -6.786 6.024 1.00 0.00 H new ATOM 0 HG3 GLU A 81 1.962 -6.346 7.396 1.00 0.00 H new ATOM 1265 N LYS A 82 1.792 -10.951 6.238 1.00 0.00 N ATOM 1266 CA LYS A 82 1.427 -12.308 6.589 1.00 0.00 C ATOM 1267 C LYS A 82 1.862 -12.609 8.016 1.00 0.00 C ATOM 1268 O LYS A 82 3.054 -12.729 8.293 1.00 0.00 O ATOM 1269 CB LYS A 82 2.080 -13.279 5.609 1.00 0.00 C ATOM 1270 CG LYS A 82 2.060 -12.676 4.207 1.00 0.00 C ATOM 1271 CD LYS A 82 2.822 -13.587 3.250 1.00 0.00 C ATOM 1272 CE LYS A 82 1.967 -13.859 2.015 1.00 0.00 C ATOM 1273 NZ LYS A 82 2.807 -14.197 0.856 1.00 0.00 N ATOM 0 H LYS A 82 2.608 -10.593 6.734 1.00 0.00 H new ATOM 0 HA LYS A 82 0.345 -12.423 6.529 1.00 0.00 H new ATOM 0 HB2 LYS A 82 3.106 -13.485 5.913 1.00 0.00 H new ATOM 0 HB3 LYS A 82 1.549 -14.231 5.615 1.00 0.00 H new ATOM 0 HG2 LYS A 82 1.032 -12.553 3.867 1.00 0.00 H new ATOM 0 HG3 LYS A 82 2.512 -11.684 4.220 1.00 0.00 H new ATOM 0 HD2 LYS A 82 3.763 -13.120 2.958 1.00 0.00 H new ATOM 0 HD3 LYS A 82 3.072 -14.525 3.746 1.00 0.00 H new ATOM 0 HE2 LYS A 82 1.277 -14.677 2.219 1.00 0.00 H new ATOM 0 HE3 LYS A 82 1.362 -12.981 1.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 2.358 -13.844 -0.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 3.743 -13.757 0.965 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 2.915 -15.230 0.795 1.00 0.00 H new ATOM 1287 N PRO A 83 0.891 -12.732 8.924 1.00 0.00 N ATOM 1288 CA PRO A 83 1.114 -13.018 10.324 1.00 0.00 C ATOM 1289 C PRO A 83 1.546 -14.468 10.486 1.00 0.00 C ATOM 1290 O PRO A 83 2.488 -14.761 11.219 1.00 0.00 O ATOM 1291 CB PRO A 83 -0.236 -12.771 10.994 1.00 0.00 C ATOM 1292 CG PRO A 83 -1.231 -13.106 9.884 1.00 0.00 C ATOM 1293 CD PRO A 83 -0.520 -12.598 8.632 1.00 0.00 C ATOM 0 HA PRO A 83 1.898 -12.401 10.764 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -0.376 -13.407 11.868 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -0.338 -11.739 11.331 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -1.432 -14.176 9.830 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -2.189 -12.609 10.035 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -0.799 -13.182 7.755 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -0.783 -11.561 8.422 1.00 0.00 H new ATOM 1301 N TRP A 84 0.852 -15.380 9.801 1.00 0.00 N ATOM 1302 CA TRP A 84 1.169 -16.791 9.875 1.00 0.00 C ATOM 1303 C TRP A 84 2.673 -16.992 9.759 1.00 0.00 C ATOM 1304 O TRP A 84 3.192 -18.050 10.108 1.00 0.00 O ATOM 1305 CB TRP A 84 0.438 -17.535 8.761 1.00 0.00 C ATOM 1306 CG TRP A 84 0.992 -17.319 7.389 1.00 0.00 C ATOM 1307 CD1 TRP A 84 2.072 -17.947 6.876 1.00 0.00 C ATOM 1308 CD2 TRP A 84 0.518 -16.421 6.340 1.00 0.00 C ATOM 1309 NE1 TRP A 84 2.297 -17.503 5.591 1.00 0.00 N ATOM 1310 CE2 TRP A 84 1.366 -16.559 5.209 1.00 0.00 C ATOM 1311 CE3 TRP A 84 -0.544 -15.504 6.229 1.00 0.00 C ATOM 1312 CZ2 TRP A 84 1.174 -15.830 4.032 1.00 0.00 C ATOM 1313 CZ3 TRP A 84 -0.744 -14.767 5.053 1.00 0.00 C ATOM 1314 CH2 TRP A 84 0.110 -14.927 3.956 1.00 0.00 C ATOM 0 H TRP A 84 0.067 -15.156 9.190 1.00 0.00 H new ATOM 0 HA TRP A 84 0.843 -17.189 10.836 1.00 0.00 H new ATOM 0 HB2 TRP A 84 0.460 -18.602 8.982 1.00 0.00 H new ATOM 0 HB3 TRP A 84 -0.608 -17.230 8.766 1.00 0.00 H new ATOM 0 HD1 TRP A 84 2.668 -18.684 7.394 1.00 0.00 H new ATOM 0 HE1 TRP A 84 3.058 -17.832 4.996 1.00 0.00 H new ATOM 0 HE3 TRP A 84 -1.216 -15.366 7.063 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 1.839 -15.963 3.192 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 -1.566 -14.069 4.993 1.00 0.00 H new ATOM 0 HH2 TRP A 84 -0.052 -14.355 3.054 1.00 0.00 H new ATOM 1325 N MET A 85 3.375 -15.968 9.268 1.00 0.00 N ATOM 1326 CA MET A 85 4.814 -16.037 9.107 1.00 0.00 C ATOM 1327 C MET A 85 5.436 -14.685 9.425 1.00 0.00 C ATOM 1328 O MET A 85 6.639 -14.498 9.263 1.00 0.00 O ATOM 1329 CB MET A 85 5.145 -16.460 7.679 1.00 0.00 C ATOM 1330 CG MET A 85 4.451 -15.522 6.696 1.00 0.00 C ATOM 1331 SD MET A 85 4.672 -15.983 4.960 1.00 0.00 S ATOM 1332 CE MET A 85 6.479 -16.079 4.913 1.00 0.00 C ATOM 0 H MET A 85 2.961 -15.082 8.977 1.00 0.00 H new ATOM 0 HA MET A 85 5.225 -16.774 9.797 1.00 0.00 H new ATOM 0 HB2 MET A 85 6.223 -16.435 7.522 1.00 0.00 H new ATOM 0 HB3 MET A 85 4.821 -17.487 7.508 1.00 0.00 H new ATOM 0 HG2 MET A 85 3.385 -15.499 6.922 1.00 0.00 H new ATOM 0 HG3 MET A 85 4.831 -14.511 6.844 1.00 0.00 H new ATOM 0 HE1 MET A 85 6.836 -15.738 3.941 1.00 0.00 H new ATOM 0 HE2 MET A 85 6.897 -15.446 5.696 1.00 0.00 H new ATOM 0 HE3 MET A 85 6.793 -17.110 5.074 1.00 0.00 H new ATOM 1342 N ASP A 86 4.610 -13.741 9.883 1.00 0.00 N ATOM 1343 CA ASP A 86 5.080 -12.413 10.221 1.00 0.00 C ATOM 1344 C ASP A 86 6.066 -11.932 9.168 1.00 0.00 C ATOM 1345 O ASP A 86 7.213 -11.622 9.483 1.00 0.00 O ATOM 1346 CB ASP A 86 5.733 -12.442 11.601 1.00 0.00 C ATOM 1347 CG ASP A 86 4.795 -11.879 12.659 1.00 0.00 C ATOM 1348 OD1 ASP A 86 3.735 -12.508 12.871 1.00 0.00 O ATOM 1349 OD2 ASP A 86 5.153 -10.829 13.234 1.00 0.00 O ATOM 0 H ASP A 86 3.610 -13.882 10.026 1.00 0.00 H new ATOM 0 HA ASP A 86 4.239 -11.720 10.246 1.00 0.00 H new ATOM 0 HB2 ASP A 86 6.004 -13.466 11.858 1.00 0.00 H new ATOM 0 HB3 ASP A 86 6.656 -11.863 11.583 1.00 0.00 H new ATOM 1354 N PHE A 87 5.618 -11.869 7.912 1.00 0.00 N ATOM 1355 CA PHE A 87 6.463 -11.426 6.821 1.00 0.00 C ATOM 1356 C PHE A 87 5.676 -10.509 5.897 1.00 0.00 C ATOM 1357 O PHE A 87 4.541 -10.812 5.535 1.00 0.00 O ATOM 1358 CB PHE A 87 6.987 -12.641 6.060 1.00 0.00 C ATOM 1359 CG PHE A 87 7.264 -12.365 4.602 1.00 0.00 C ATOM 1360 CD1 PHE A 87 6.217 -12.401 3.673 1.00 0.00 C ATOM 1361 CD2 PHE A 87 8.565 -12.077 4.177 1.00 0.00 C ATOM 1362 CE1 PHE A 87 6.472 -12.148 2.319 1.00 0.00 C ATOM 1363 CE2 PHE A 87 8.821 -11.824 2.825 1.00 0.00 C ATOM 1364 CZ PHE A 87 7.775 -11.859 1.895 1.00 0.00 C ATOM 0 H PHE A 87 4.670 -12.122 7.633 1.00 0.00 H new ATOM 0 HA PHE A 87 7.311 -10.867 7.217 1.00 0.00 H new ATOM 0 HB2 PHE A 87 7.903 -12.990 6.536 1.00 0.00 H new ATOM 0 HB3 PHE A 87 6.260 -13.449 6.137 1.00 0.00 H new ATOM 0 HD1 PHE A 87 5.212 -12.624 4.001 1.00 0.00 H new ATOM 0 HD2 PHE A 87 9.373 -12.050 4.893 1.00 0.00 H new ATOM 0 HE1 PHE A 87 5.664 -12.176 1.603 1.00 0.00 H new ATOM 0 HE2 PHE A 87 9.826 -11.602 2.499 1.00 0.00 H new ATOM 0 HZ PHE A 87 7.973 -11.663 0.851 1.00 0.00 H new ATOM 1374 N LYS A 88 6.282 -9.382 5.515 1.00 0.00 N ATOM 1375 CA LYS A 88 5.635 -8.428 4.636 1.00 0.00 C ATOM 1376 C LYS A 88 6.519 -8.157 3.427 1.00 0.00 C ATOM 1377 O LYS A 88 7.743 -8.228 3.518 1.00 0.00 O ATOM 1378 CB LYS A 88 5.357 -7.139 5.403 1.00 0.00 C ATOM 1379 CG LYS A 88 6.678 -6.514 5.843 1.00 0.00 C ATOM 1380 CD LYS A 88 6.548 -4.994 5.843 1.00 0.00 C ATOM 1381 CE LYS A 88 6.925 -4.452 7.219 1.00 0.00 C ATOM 1382 NZ LYS A 88 5.771 -4.479 8.132 1.00 0.00 N ATOM 0 H LYS A 88 7.222 -9.115 5.806 1.00 0.00 H new ATOM 0 HA LYS A 88 4.688 -8.837 4.283 1.00 0.00 H new ATOM 0 HB2 LYS A 88 4.804 -6.441 4.774 1.00 0.00 H new ATOM 0 HB3 LYS A 88 4.734 -7.348 6.272 1.00 0.00 H new ATOM 0 HG2 LYS A 88 6.945 -6.867 6.839 1.00 0.00 H new ATOM 0 HG3 LYS A 88 7.479 -6.821 5.171 1.00 0.00 H new ATOM 0 HD2 LYS A 88 7.196 -4.563 5.080 1.00 0.00 H new ATOM 0 HD3 LYS A 88 5.527 -4.705 5.594 1.00 0.00 H new ATOM 0 HE2 LYS A 88 7.738 -5.046 7.637 1.00 0.00 H new ATOM 0 HE3 LYS A 88 7.293 -3.431 7.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 6.054 -4.105 9.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 5.006 -3.893 7.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 5.437 -5.458 8.240 1.00 0.00 H new ATOM 1396 N GLU A 89 5.894 -7.843 2.289 1.00 0.00 N ATOM 1397 CA GLU A 89 6.626 -7.562 1.071 1.00 0.00 C ATOM 1398 C GLU A 89 5.845 -6.579 0.211 1.00 0.00 C ATOM 1399 O GLU A 89 4.682 -6.821 -0.113 1.00 0.00 O ATOM 1400 CB GLU A 89 6.873 -8.864 0.314 1.00 0.00 C ATOM 1401 CG GLU A 89 8.009 -8.665 -0.685 1.00 0.00 C ATOM 1402 CD GLU A 89 7.697 -9.354 -2.005 1.00 0.00 C ATOM 1403 OE1 GLU A 89 8.039 -10.551 -2.116 1.00 0.00 O ATOM 1404 OE2 GLU A 89 7.124 -8.670 -2.880 1.00 0.00 O ATOM 0 H GLU A 89 4.880 -7.779 2.195 1.00 0.00 H new ATOM 0 HA GLU A 89 7.587 -7.112 1.318 1.00 0.00 H new ATOM 0 HB2 GLU A 89 7.125 -9.661 1.013 1.00 0.00 H new ATOM 0 HB3 GLU A 89 5.966 -9.172 -0.207 1.00 0.00 H new ATOM 0 HG2 GLU A 89 8.167 -7.600 -0.854 1.00 0.00 H new ATOM 0 HG3 GLU A 89 8.936 -9.063 -0.272 1.00 0.00 H new ATOM 1411 N LEU A 90 6.486 -5.470 -0.159 1.00 0.00 N ATOM 1412 CA LEU A 90 5.851 -4.436 -0.976 1.00 0.00 C ATOM 1413 C LEU A 90 5.541 -4.933 -2.390 1.00 0.00 C ATOM 1414 O LEU A 90 6.398 -5.495 -3.068 1.00 0.00 O ATOM 1415 CB LEU A 90 6.761 -3.205 -1.045 1.00 0.00 C ATOM 1416 CG LEU A 90 6.074 -1.921 -1.556 1.00 0.00 C ATOM 1417 CD1 LEU A 90 5.270 -2.189 -2.825 1.00 0.00 C ATOM 1418 CD2 LEU A 90 5.176 -1.319 -0.481 1.00 0.00 C ATOM 0 H LEU A 90 7.452 -5.264 0.097 1.00 0.00 H new ATOM 0 HA LEU A 90 4.904 -4.174 -0.505 1.00 0.00 H new ATOM 0 HB2 LEU A 90 7.165 -3.013 -0.051 1.00 0.00 H new ATOM 0 HB3 LEU A 90 7.606 -3.431 -1.695 1.00 0.00 H new ATOM 0 HG LEU A 90 6.859 -1.204 -1.795 1.00 0.00 H new ATOM 0 HD11 LEU A 90 4.799 -1.265 -3.159 1.00 0.00 H new ATOM 0 HD12 LEU A 90 5.935 -2.560 -3.605 1.00 0.00 H new ATOM 0 HD13 LEU A 90 4.502 -2.934 -2.618 1.00 0.00 H new ATOM 0 HD21 LEU A 90 4.703 -0.415 -0.866 1.00 0.00 H new ATOM 0 HD22 LEU A 90 4.407 -2.040 -0.203 1.00 0.00 H new ATOM 0 HD23 LEU A 90 5.774 -1.071 0.396 1.00 0.00 H new ATOM 1430 N GLN A 91 4.296 -4.724 -2.824 1.00 0.00 N ATOM 1431 CA GLN A 91 3.863 -5.150 -4.140 1.00 0.00 C ATOM 1432 C GLN A 91 3.988 -3.994 -5.123 1.00 0.00 C ATOM 1433 O GLN A 91 4.488 -4.169 -6.232 1.00 0.00 O ATOM 1434 CB GLN A 91 2.420 -5.642 -4.065 1.00 0.00 C ATOM 1435 CG GLN A 91 2.310 -6.734 -3.005 1.00 0.00 C ATOM 1436 CD GLN A 91 1.361 -7.835 -3.458 1.00 0.00 C ATOM 1437 OE1 GLN A 91 0.206 -7.567 -3.781 1.00 0.00 O ATOM 1438 NE2 GLN A 91 1.851 -9.076 -3.479 1.00 0.00 N ATOM 0 H GLN A 91 3.573 -4.259 -2.274 1.00 0.00 H new ATOM 0 HA GLN A 91 4.494 -5.967 -4.488 1.00 0.00 H new ATOM 0 HB2 GLN A 91 1.754 -4.814 -3.820 1.00 0.00 H new ATOM 0 HB3 GLN A 91 2.105 -6.028 -5.034 1.00 0.00 H new ATOM 0 HG2 GLN A 91 3.296 -7.156 -2.808 1.00 0.00 H new ATOM 0 HG3 GLN A 91 1.954 -6.304 -2.069 1.00 0.00 H new ATOM 0 HE21 GLN A 91 2.817 -9.248 -3.201 1.00 0.00 H new ATOM 0 HE22 GLN A 91 1.259 -9.853 -3.773 1.00 0.00 H new ATOM 1447 N GLU A 92 3.531 -2.808 -4.714 1.00 0.00 N ATOM 1448 CA GLU A 92 3.596 -1.633 -5.560 1.00 0.00 C ATOM 1449 C GLU A 92 2.687 -0.543 -5.006 1.00 0.00 C ATOM 1450 O GLU A 92 1.563 -0.818 -4.595 1.00 0.00 O ATOM 1451 CB GLU A 92 3.187 -2.008 -6.981 1.00 0.00 C ATOM 1452 CG GLU A 92 4.427 -2.059 -7.870 1.00 0.00 C ATOM 1453 CD GLU A 92 4.236 -3.047 -9.011 1.00 0.00 C ATOM 1454 OE1 GLU A 92 3.550 -2.667 -9.984 1.00 0.00 O ATOM 1455 OE2 GLU A 92 4.779 -4.167 -8.888 1.00 0.00 O ATOM 0 H GLU A 92 3.112 -2.645 -3.798 1.00 0.00 H new ATOM 0 HA GLU A 92 4.616 -1.250 -5.578 1.00 0.00 H new ATOM 0 HB2 GLU A 92 2.685 -2.975 -6.983 1.00 0.00 H new ATOM 0 HB3 GLU A 92 2.476 -1.279 -7.371 1.00 0.00 H new ATOM 0 HG2 GLU A 92 4.632 -1.067 -8.273 1.00 0.00 H new ATOM 0 HG3 GLU A 92 5.294 -2.347 -7.276 1.00 0.00 H new ATOM 1462 N PHE A 93 3.179 0.697 -4.998 1.00 0.00 N ATOM 1463 CA PHE A 93 2.412 1.819 -4.497 1.00 0.00 C ATOM 1464 C PHE A 93 2.363 2.921 -5.547 1.00 0.00 C ATOM 1465 O PHE A 93 3.227 3.793 -5.576 1.00 0.00 O ATOM 1466 CB PHE A 93 3.044 2.330 -3.205 1.00 0.00 C ATOM 1467 CG PHE A 93 4.082 3.404 -3.426 1.00 0.00 C ATOM 1468 CD1 PHE A 93 5.272 3.099 -4.099 1.00 0.00 C ATOM 1469 CD2 PHE A 93 3.857 4.704 -2.955 1.00 0.00 C ATOM 1470 CE1 PHE A 93 6.235 4.095 -4.302 1.00 0.00 C ATOM 1471 CE2 PHE A 93 4.821 5.698 -3.158 1.00 0.00 C ATOM 1472 CZ PHE A 93 6.010 5.394 -3.831 1.00 0.00 C ATOM 0 H PHE A 93 4.110 0.941 -5.336 1.00 0.00 H new ATOM 0 HA PHE A 93 1.391 1.501 -4.285 1.00 0.00 H new ATOM 0 HB2 PHE A 93 2.260 2.721 -2.556 1.00 0.00 H new ATOM 0 HB3 PHE A 93 3.504 1.493 -2.679 1.00 0.00 H new ATOM 0 HD1 PHE A 93 5.447 2.097 -4.461 1.00 0.00 H new ATOM 0 HD2 PHE A 93 2.940 4.939 -2.435 1.00 0.00 H new ATOM 0 HE1 PHE A 93 7.152 3.861 -4.822 1.00 0.00 H new ATOM 0 HE2 PHE A 93 4.647 6.700 -2.795 1.00 0.00 H new ATOM 0 HZ PHE A 93 6.754 6.161 -3.987 1.00 0.00 H new ATOM 1482 N LYS A 94 1.345 2.877 -6.410 1.00 0.00 N ATOM 1483 CA LYS A 94 1.188 3.870 -7.455 1.00 0.00 C ATOM 1484 C LYS A 94 -0.251 3.877 -7.950 1.00 0.00 C ATOM 1485 O LYS A 94 -0.979 2.904 -7.766 1.00 0.00 O ATOM 1486 CB LYS A 94 2.152 3.562 -8.596 1.00 0.00 C ATOM 1487 CG LYS A 94 1.844 2.178 -9.162 1.00 0.00 C ATOM 1488 CD LYS A 94 3.090 1.303 -9.073 1.00 0.00 C ATOM 1489 CE LYS A 94 3.427 0.754 -10.457 1.00 0.00 C ATOM 1490 NZ LYS A 94 3.764 1.843 -11.388 1.00 0.00 N ATOM 0 H LYS A 94 0.620 2.160 -6.399 1.00 0.00 H new ATOM 0 HA LYS A 94 1.418 4.859 -7.059 1.00 0.00 H new ATOM 0 HB2 LYS A 94 2.059 4.315 -9.378 1.00 0.00 H new ATOM 0 HB3 LYS A 94 3.181 3.600 -8.238 1.00 0.00 H new ATOM 0 HG2 LYS A 94 1.025 1.720 -8.607 1.00 0.00 H new ATOM 0 HG3 LYS A 94 1.519 2.262 -10.199 1.00 0.00 H new ATOM 0 HD2 LYS A 94 3.928 1.883 -8.686 1.00 0.00 H new ATOM 0 HD3 LYS A 94 2.922 0.482 -8.376 1.00 0.00 H new ATOM 0 HE2 LYS A 94 4.265 0.061 -10.383 1.00 0.00 H new ATOM 0 HE3 LYS A 94 2.579 0.189 -10.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 4.441 1.496 -12.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 2.900 2.171 -11.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 4.189 2.632 -10.860 1.00 0.00 H new ATOM 1504 N PRO A 95 -0.659 4.980 -8.583 1.00 0.00 N ATOM 1505 CA PRO A 95 -1.989 5.166 -9.122 1.00 0.00 C ATOM 1506 C PRO A 95 -2.159 4.306 -10.366 1.00 0.00 C ATOM 1507 O PRO A 95 -3.202 4.347 -11.014 1.00 0.00 O ATOM 1508 CB PRO A 95 -2.066 6.651 -9.469 1.00 0.00 C ATOM 1509 CG PRO A 95 -0.616 6.995 -9.807 1.00 0.00 C ATOM 1510 CD PRO A 95 0.171 6.142 -8.815 1.00 0.00 C ATOM 0 HA PRO A 95 -2.775 4.876 -8.424 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -2.732 6.836 -10.312 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -2.438 7.243 -8.633 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -0.371 6.746 -10.839 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -0.411 8.058 -9.679 1.00 0.00 H new ATOM 0 HD2 PRO A 95 1.142 5.859 -9.221 1.00 0.00 H new ATOM 0 HD3 PRO A 95 0.358 6.685 -7.889 1.00 0.00 H new ATOM 1518 N VAL A 96 -1.128 3.525 -10.699 1.00 0.00 N ATOM 1519 CA VAL A 96 -1.168 2.661 -11.862 1.00 0.00 C ATOM 1520 C VAL A 96 -1.620 3.455 -13.079 1.00 0.00 C ATOM 1521 O VAL A 96 -2.809 3.498 -13.388 1.00 0.00 O ATOM 1522 CB VAL A 96 -2.114 1.494 -11.596 1.00 0.00 C ATOM 1523 CG1 VAL A 96 -2.204 0.617 -12.842 1.00 0.00 C ATOM 1524 CG2 VAL A 96 -1.584 0.666 -10.428 1.00 0.00 C ATOM 0 H VAL A 96 -0.256 3.480 -10.172 1.00 0.00 H new ATOM 0 HA VAL A 96 -0.172 2.266 -12.060 1.00 0.00 H new ATOM 0 HB VAL A 96 -3.104 1.878 -11.350 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -2.880 -0.217 -12.652 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -2.582 1.208 -13.676 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -1.214 0.233 -13.089 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -2.259 -0.168 -10.237 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -0.594 0.282 -10.674 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -1.520 1.292 -9.538 1.00 0.00 H new ATOM 1534 N ASP A 97 -0.668 4.086 -13.770 1.00 0.00 N ATOM 1535 CA ASP A 97 -0.973 4.875 -14.946 1.00 0.00 C ATOM 1536 C ASP A 97 -1.251 3.955 -16.125 1.00 0.00 C ATOM 1537 O ASP A 97 -0.536 2.977 -16.334 1.00 0.00 O ATOM 1538 CB ASP A 97 0.198 5.806 -15.251 1.00 0.00 C ATOM 1539 CG ASP A 97 -0.141 7.244 -14.883 1.00 0.00 C ATOM 1540 OD1 ASP A 97 -0.803 7.901 -15.715 1.00 0.00 O ATOM 1541 OD2 ASP A 97 0.269 7.659 -13.777 1.00 0.00 O ATOM 0 H ASP A 97 0.322 4.060 -13.527 1.00 0.00 H new ATOM 0 HA ASP A 97 -1.862 5.479 -14.764 1.00 0.00 H new ATOM 0 HB2 ASP A 97 1.079 5.483 -14.697 1.00 0.00 H new ATOM 0 HB3 ASP A 97 0.449 5.747 -16.310 1.00 0.00 H new ATOM 1546 N ALA A 98 -2.293 4.270 -16.898 1.00 0.00 N ATOM 1547 CA ALA A 98 -2.660 3.471 -18.050 1.00 0.00 C ATOM 1548 C ALA A 98 -1.690 3.736 -19.193 1.00 0.00 C ATOM 1549 O ALA A 98 -1.646 4.842 -19.728 1.00 0.00 O ATOM 1550 CB ALA A 98 -4.090 3.805 -18.466 1.00 0.00 C ATOM 0 H ALA A 98 -2.895 5.078 -16.739 1.00 0.00 H new ATOM 0 HA ALA A 98 -2.608 2.413 -17.794 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -4.367 3.204 -19.332 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -4.769 3.587 -17.642 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -4.157 4.863 -18.721 1.00 0.00 H new ATOM 1556 N SER A 99 -0.910 2.719 -19.564 1.00 0.00 N ATOM 1557 CA SER A 99 0.053 2.847 -20.639 1.00 0.00 C ATOM 1558 C SER A 99 0.097 1.560 -21.450 1.00 0.00 C ATOM 1559 O SER A 99 1.112 1.248 -22.069 1.00 0.00 O ATOM 1560 CB SER A 99 1.427 3.166 -20.055 1.00 0.00 C ATOM 1561 OG SER A 99 1.884 4.394 -20.575 1.00 0.00 O ATOM 0 H SER A 99 -0.933 1.797 -19.128 1.00 0.00 H new ATOM 0 HA SER A 99 -0.243 3.660 -21.302 1.00 0.00 H new ATOM 0 HB2 SER A 99 1.369 3.218 -18.968 1.00 0.00 H new ATOM 0 HB3 SER A 99 2.131 2.371 -20.299 1.00 0.00 H new ATOM 0 HG SER A 99 2.765 4.601 -20.199 1.00 0.00 H new ATOM 1567 N ALA A 100 -1.009 0.813 -21.446 1.00 0.00 N ATOM 1568 CA ALA A 100 -1.092 -0.434 -22.179 1.00 0.00 C ATOM 1569 C ALA A 100 -1.941 -0.242 -23.428 1.00 0.00 C ATOM 1570 O ALA A 100 -2.375 0.869 -23.721 1.00 0.00 O ATOM 1571 CB ALA A 100 -1.691 -1.512 -21.279 1.00 0.00 C ATOM 0 H ALA A 100 -1.859 1.059 -20.938 1.00 0.00 H new ATOM 0 HA ALA A 100 -0.094 -0.748 -22.486 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -1.754 -2.451 -21.829 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -1.058 -1.647 -20.402 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -2.689 -1.209 -20.963 1.00 0.00 H new ATOM 1577 N ASN A 101 -2.175 -1.330 -24.165 1.00 0.00 N ATOM 1578 CA ASN A 101 -2.969 -1.275 -25.376 1.00 0.00 C ATOM 1579 C ASN A 101 -3.802 -2.541 -25.509 1.00 0.00 C ATOM 1580 O ASN A 101 -3.659 -3.469 -24.716 1.00 0.00 O ATOM 1581 CB ASN A 101 -2.045 -1.108 -26.580 1.00 0.00 C ATOM 1582 CG ASN A 101 -2.622 -0.107 -27.571 1.00 0.00 C ATOM 1583 OD1 ASN A 101 -3.777 -0.226 -27.975 1.00 0.00 O ATOM 1584 ND2 ASN A 101 -1.814 0.882 -27.962 1.00 0.00 N ATOM 0 H ASN A 101 -1.821 -2.259 -23.936 1.00 0.00 H new ATOM 0 HA ASN A 101 -3.647 -0.423 -25.331 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -1.063 -0.771 -26.247 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -1.902 -2.071 -27.071 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -2.148 1.582 -28.625 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -0.863 0.938 -27.598 1.00 0.00 H new ATOM 1591 N ALA A 102 -4.676 -2.578 -26.518 1.00 0.00 N ATOM 1592 CA ALA A 102 -5.528 -3.727 -26.750 1.00 0.00 C ATOM 1593 C ALA A 102 -5.014 -4.515 -27.946 1.00 0.00 C ATOM 1594 O ALA A 102 -5.214 -4.112 -29.090 1.00 0.00 O ATOM 1595 CB ALA A 102 -6.960 -3.256 -26.986 1.00 0.00 C ATOM 1596 OXT ALA A 102 -4.394 -5.564 -27.781 1.00 0.00 O ATOM 0 H ALA A 102 -4.806 -1.817 -27.185 1.00 0.00 H new ATOM 0 HA ALA A 102 -5.514 -4.380 -25.877 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -7.603 -4.119 -27.161 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -7.313 -2.712 -26.110 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -6.989 -2.600 -27.856 1.00 0.00 H new TER 1602 ALA A 102