USER MOD reduce.3.24.130724 H: found=0, std=0, add=838, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 834 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 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 -57:sc= 0.242 USER MOD Single : A 5 SER OG : rot 102:sc= 0.0665 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 68:sc= 1.24 USER MOD Single : A 20 LYS NZ :NH3+ -156:sc= -0.0432 (180deg=-0.36) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 TYR OH : rot -179:sc= -1.88 USER MOD Single : A 27 CYS SG : rot 74:sc= 1.22 USER MOD Single : A 29 CYS SG : rot 115:sc= -0.049 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0225) USER MOD Single : A 36 LYS NZ :NH3+ 153:sc=-0.00311 (180deg=-0.489) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 TYR OH : rot 30:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ -162:sc= -0.0225 (180deg=-0.506) USER MOD Single : A 47 MET CE :methyl -147:sc= -1.4 (180deg=-4.21!) USER MOD Single : A 51 GLN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : A 52 SER OG : rot 180:sc= -0.0457 USER MOD Single : A 57 GLN : amide:sc= -1.27 K(o=-1.3,f=-2.2!) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 HIS : no HD1:sc= -2.74! C(o=-2.7!,f=-7.2!) USER MOD Single : A 70 ASN : amide:sc= 0 X(o=0,f=-0.076) USER MOD Single : A 71 TYR OH : rot -1:sc= -0.27 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 ASN : amide:sc= -1.86! K(o=-1.9!,f=-0.31) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ -142:sc= -0.711 (180deg=-2.4!) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 HIS : no HD1:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 5.555 36.554 -21.353 1.00 0.00 N ATOM 2 CA GLY A 1 4.805 35.312 -21.317 1.00 0.00 C ATOM 3 C GLY A 1 3.318 35.537 -21.125 1.00 0.00 C ATOM 4 O GLY A 1 2.904 36.236 -20.201 1.00 0.00 O ATOM 0 H1 GLY A 1 6.565 36.346 -21.486 1.00 0.00 H new ATOM 0 H2 GLY A 1 5.216 37.142 -22.141 1.00 0.00 H new ATOM 0 H3 GLY A 1 5.422 37.066 -20.458 1.00 0.00 H new ATOM 0 HA2 GLY A 1 4.970 34.765 -22.245 1.00 0.00 H new ATOM 0 HA3 GLY A 1 5.182 34.687 -20.508 1.00 0.00 H new ATOM 8 N SER A 2 2.514 34.944 -22.001 1.00 0.00 N ATOM 9 CA SER A 2 1.065 35.088 -21.927 1.00 0.00 C ATOM 10 C SER A 2 0.492 34.248 -20.790 1.00 0.00 C ATOM 11 O SER A 2 0.365 33.029 -20.908 1.00 0.00 O ATOM 12 CB SER A 2 0.422 34.677 -23.254 1.00 0.00 C ATOM 13 OG SER A 2 0.725 35.609 -24.278 1.00 0.00 O ATOM 0 H SER A 2 2.841 34.359 -22.770 1.00 0.00 H new ATOM 0 HA SER A 2 0.839 36.136 -21.730 1.00 0.00 H new ATOM 0 HB2 SER A 2 0.776 33.687 -23.542 1.00 0.00 H new ATOM 0 HB3 SER A 2 -0.659 34.605 -23.131 1.00 0.00 H new ATOM 0 HG SER A 2 0.304 35.323 -25.116 1.00 0.00 H new ATOM 19 N SER A 3 0.150 34.909 -19.689 1.00 0.00 N ATOM 20 CA SER A 3 -0.405 34.223 -18.528 1.00 0.00 C ATOM 21 C SER A 3 0.576 33.185 -17.989 1.00 0.00 C ATOM 22 O SER A 3 0.187 32.075 -17.630 1.00 0.00 O ATOM 23 CB SER A 3 -1.729 33.548 -18.892 1.00 0.00 C ATOM 24 OG SER A 3 -2.424 33.129 -17.730 1.00 0.00 O ATOM 0 H SER A 3 0.247 35.918 -19.576 1.00 0.00 H new ATOM 0 HA SER A 3 -0.585 34.966 -17.751 1.00 0.00 H new ATOM 0 HB2 SER A 3 -2.350 34.240 -19.461 1.00 0.00 H new ATOM 0 HB3 SER A 3 -1.538 32.689 -19.535 1.00 0.00 H new ATOM 0 HG SER A 3 -1.855 32.525 -17.209 1.00 0.00 H new ATOM 30 N GLY A 4 1.852 33.558 -17.936 1.00 0.00 N ATOM 31 CA GLY A 4 2.869 32.649 -17.440 1.00 0.00 C ATOM 32 C GLY A 4 4.232 33.306 -17.339 1.00 0.00 C ATOM 33 O GLY A 4 4.899 33.527 -18.350 1.00 0.00 O ATOM 0 H GLY A 4 2.199 34.472 -18.227 1.00 0.00 H new ATOM 0 HA2 GLY A 4 2.574 32.278 -16.458 1.00 0.00 H new ATOM 0 HA3 GLY A 4 2.933 31.785 -18.101 1.00 0.00 H new ATOM 37 N SER A 5 4.647 33.618 -16.115 1.00 0.00 N ATOM 38 CA SER A 5 5.937 34.258 -15.887 1.00 0.00 C ATOM 39 C SER A 5 7.029 33.590 -16.716 1.00 0.00 C ATOM 40 O SER A 5 7.011 32.377 -16.926 1.00 0.00 O ATOM 41 CB SER A 5 6.302 34.202 -14.402 1.00 0.00 C ATOM 42 OG SER A 5 6.627 32.881 -14.006 1.00 0.00 O ATOM 0 H SER A 5 4.109 33.438 -15.267 1.00 0.00 H new ATOM 0 HA SER A 5 5.857 35.300 -16.196 1.00 0.00 H new ATOM 0 HB2 SER A 5 7.147 34.862 -14.207 1.00 0.00 H new ATOM 0 HB3 SER A 5 5.467 34.569 -13.805 1.00 0.00 H new ATOM 0 HG SER A 5 7.600 32.790 -13.939 1.00 0.00 H new ATOM 48 N SER A 6 7.981 34.391 -17.186 1.00 0.00 N ATOM 49 CA SER A 6 9.080 33.880 -17.995 1.00 0.00 C ATOM 50 C SER A 6 10.334 33.686 -17.148 1.00 0.00 C ATOM 51 O SER A 6 11.441 34.013 -17.576 1.00 0.00 O ATOM 52 CB SER A 6 9.375 34.833 -19.155 1.00 0.00 C ATOM 53 OG SER A 6 9.758 36.112 -18.677 1.00 0.00 O ATOM 0 H SER A 6 8.012 35.397 -17.020 1.00 0.00 H new ATOM 0 HA SER A 6 8.782 32.912 -18.398 1.00 0.00 H new ATOM 0 HB2 SER A 6 10.170 34.420 -19.776 1.00 0.00 H new ATOM 0 HB3 SER A 6 8.492 34.926 -19.787 1.00 0.00 H new ATOM 0 HG SER A 6 9.943 36.703 -19.436 1.00 0.00 H new ATOM 59 N GLY A 7 10.152 33.154 -15.944 1.00 0.00 N ATOM 60 CA GLY A 7 11.276 32.927 -15.056 1.00 0.00 C ATOM 61 C GLY A 7 10.868 32.240 -13.767 1.00 0.00 C ATOM 62 O GLY A 7 9.682 32.018 -13.523 1.00 0.00 O ATOM 0 H GLY A 7 9.246 32.876 -15.568 1.00 0.00 H new ATOM 0 HA2 GLY A 7 12.022 32.319 -15.568 1.00 0.00 H new ATOM 0 HA3 GLY A 7 11.748 33.881 -14.822 1.00 0.00 H new ATOM 66 N MET A 8 11.853 31.901 -12.941 1.00 0.00 N ATOM 67 CA MET A 8 11.589 31.234 -11.671 1.00 0.00 C ATOM 68 C MET A 8 11.433 32.252 -10.545 1.00 0.00 C ATOM 69 O MET A 8 12.123 33.271 -10.518 1.00 0.00 O ATOM 70 CB MET A 8 12.718 30.258 -11.339 1.00 0.00 C ATOM 71 CG MET A 8 12.947 29.206 -12.412 1.00 0.00 C ATOM 72 SD MET A 8 13.898 29.833 -13.809 1.00 0.00 S ATOM 73 CE MET A 8 13.074 29.018 -15.175 1.00 0.00 C ATOM 0 H MET A 8 12.840 32.077 -13.128 1.00 0.00 H new ATOM 0 HA MET A 8 10.656 30.679 -11.767 1.00 0.00 H new ATOM 0 HB2 MET A 8 13.640 30.819 -11.189 1.00 0.00 H new ATOM 0 HB3 MET A 8 12.491 29.760 -10.396 1.00 0.00 H new ATOM 0 HG2 MET A 8 13.469 28.355 -11.975 1.00 0.00 H new ATOM 0 HG3 MET A 8 11.984 28.840 -12.768 1.00 0.00 H new ATOM 0 HE1 MET A 8 13.550 29.307 -16.112 1.00 0.00 H new ATOM 0 HE2 MET A 8 13.145 27.937 -15.050 1.00 0.00 H new ATOM 0 HE3 MET A 8 12.025 29.313 -15.195 1.00 0.00 H new ATOM 83 N SER A 9 10.523 31.969 -9.620 1.00 0.00 N ATOM 84 CA SER A 9 10.274 32.862 -8.494 1.00 0.00 C ATOM 85 C SER A 9 10.967 32.352 -7.234 1.00 0.00 C ATOM 86 O SER A 9 11.397 31.201 -7.169 1.00 0.00 O ATOM 87 CB SER A 9 8.771 32.996 -8.244 1.00 0.00 C ATOM 88 OG SER A 9 8.096 33.435 -9.412 1.00 0.00 O ATOM 0 H SER A 9 9.945 31.128 -9.627 1.00 0.00 H new ATOM 0 HA SER A 9 10.682 33.842 -8.742 1.00 0.00 H new ATOM 0 HB2 SER A 9 8.365 32.036 -7.925 1.00 0.00 H new ATOM 0 HB3 SER A 9 8.596 33.702 -7.432 1.00 0.00 H new ATOM 0 HG SER A 9 7.137 33.511 -9.226 1.00 0.00 H new ATOM 94 N VAL A 10 11.072 33.221 -6.233 1.00 0.00 N ATOM 95 CA VAL A 10 11.711 32.860 -4.973 1.00 0.00 C ATOM 96 C VAL A 10 10.791 31.999 -4.116 1.00 0.00 C ATOM 97 O VAL A 10 11.245 31.095 -3.414 1.00 0.00 O ATOM 98 CB VAL A 10 12.118 34.112 -4.171 1.00 0.00 C ATOM 99 CG1 VAL A 10 10.903 34.982 -3.888 1.00 0.00 C ATOM 100 CG2 VAL A 10 12.812 33.713 -2.877 1.00 0.00 C ATOM 0 H VAL A 10 10.723 34.179 -6.270 1.00 0.00 H new ATOM 0 HA VAL A 10 12.606 32.291 -5.224 1.00 0.00 H new ATOM 0 HB VAL A 10 12.820 34.693 -4.768 1.00 0.00 H new ATOM 0 HG11 VAL A 10 11.209 35.861 -3.321 1.00 0.00 H new ATOM 0 HG12 VAL A 10 10.453 35.296 -4.830 1.00 0.00 H new ATOM 0 HG13 VAL A 10 10.175 34.413 -3.310 1.00 0.00 H new ATOM 0 HG21 VAL A 10 13.093 34.609 -2.323 1.00 0.00 H new ATOM 0 HG22 VAL A 10 12.135 33.110 -2.272 1.00 0.00 H new ATOM 0 HG23 VAL A 10 13.706 33.134 -3.107 1.00 0.00 H new ATOM 110 N ASP A 11 9.495 32.284 -4.177 1.00 0.00 N ATOM 111 CA ASP A 11 8.509 31.535 -3.407 1.00 0.00 C ATOM 112 C ASP A 11 7.933 30.389 -4.234 1.00 0.00 C ATOM 113 O ASP A 11 6.908 29.807 -3.876 1.00 0.00 O ATOM 114 CB ASP A 11 7.384 32.460 -2.941 1.00 0.00 C ATOM 115 CG ASP A 11 7.898 33.807 -2.474 1.00 0.00 C ATOM 116 OD1 ASP A 11 8.754 33.833 -1.565 1.00 0.00 O ATOM 117 OD2 ASP A 11 7.446 34.836 -3.018 1.00 0.00 O ATOM 0 H ASP A 11 9.102 33.029 -4.752 1.00 0.00 H new ATOM 0 HA ASP A 11 9.008 31.115 -2.533 1.00 0.00 H new ATOM 0 HB2 ASP A 11 6.677 32.607 -3.758 1.00 0.00 H new ATOM 0 HB3 ASP A 11 6.837 31.981 -2.128 1.00 0.00 H new ATOM 122 N ALA A 12 8.596 30.072 -5.340 1.00 0.00 N ATOM 123 CA ALA A 12 8.151 28.996 -6.216 1.00 0.00 C ATOM 124 C ALA A 12 8.526 27.632 -5.645 1.00 0.00 C ATOM 125 O ALA A 12 7.733 26.691 -5.689 1.00 0.00 O ATOM 126 CB ALA A 12 8.743 29.168 -7.608 1.00 0.00 C ATOM 0 H ALA A 12 9.444 30.545 -5.651 1.00 0.00 H new ATOM 0 HA ALA A 12 7.064 29.045 -6.287 1.00 0.00 H new ATOM 0 HB1 ALA A 12 8.402 28.357 -8.251 1.00 0.00 H new ATOM 0 HB2 ALA A 12 8.421 30.122 -8.025 1.00 0.00 H new ATOM 0 HB3 ALA A 12 9.831 29.148 -7.546 1.00 0.00 H new ATOM 132 N VAL A 13 9.738 27.533 -5.110 1.00 0.00 N ATOM 133 CA VAL A 13 10.217 26.284 -4.529 1.00 0.00 C ATOM 134 C VAL A 13 9.422 25.916 -3.281 1.00 0.00 C ATOM 135 O VAL A 13 9.531 24.802 -2.770 1.00 0.00 O ATOM 136 CB VAL A 13 11.712 26.371 -4.165 1.00 0.00 C ATOM 137 CG1 VAL A 13 11.987 27.619 -3.338 1.00 0.00 C ATOM 138 CG2 VAL A 13 12.152 25.120 -3.419 1.00 0.00 C ATOM 0 H VAL A 13 10.406 28.302 -5.067 1.00 0.00 H new ATOM 0 HA VAL A 13 10.079 25.511 -5.285 1.00 0.00 H new ATOM 0 HB VAL A 13 12.290 26.439 -5.087 1.00 0.00 H new ATOM 0 HG11 VAL A 13 13.047 27.665 -3.090 1.00 0.00 H new ATOM 0 HG12 VAL A 13 11.710 28.504 -3.911 1.00 0.00 H new ATOM 0 HG13 VAL A 13 11.401 27.584 -2.420 1.00 0.00 H new ATOM 0 HG21 VAL A 13 13.210 25.198 -3.170 1.00 0.00 H new ATOM 0 HG22 VAL A 13 11.570 25.019 -2.503 1.00 0.00 H new ATOM 0 HG23 VAL A 13 11.991 24.245 -4.049 1.00 0.00 H new ATOM 148 N GLU A 14 8.621 26.861 -2.798 1.00 0.00 N ATOM 149 CA GLU A 14 7.807 26.636 -1.610 1.00 0.00 C ATOM 150 C GLU A 14 6.523 25.891 -1.962 1.00 0.00 C ATOM 151 O GLU A 14 6.231 24.835 -1.400 1.00 0.00 O ATOM 152 CB GLU A 14 7.467 27.967 -0.937 1.00 0.00 C ATOM 153 CG GLU A 14 7.158 27.839 0.546 1.00 0.00 C ATOM 154 CD GLU A 14 8.407 27.851 1.405 1.00 0.00 C ATOM 155 OE1 GLU A 14 9.072 28.906 1.473 1.00 0.00 O ATOM 156 OE2 GLU A 14 8.719 26.805 2.011 1.00 0.00 O ATOM 0 H GLU A 14 8.519 27.788 -3.211 1.00 0.00 H new ATOM 0 HA GLU A 14 8.385 26.023 -0.918 1.00 0.00 H new ATOM 0 HB2 GLU A 14 8.303 28.654 -1.067 1.00 0.00 H new ATOM 0 HB3 GLU A 14 6.608 28.410 -1.441 1.00 0.00 H new ATOM 0 HG2 GLU A 14 6.505 28.657 0.849 1.00 0.00 H new ATOM 0 HG3 GLU A 14 6.610 26.913 0.721 1.00 0.00 H new ATOM 163 N ILE A 15 5.760 26.447 -2.897 1.00 0.00 N ATOM 164 CA ILE A 15 4.509 25.836 -3.326 1.00 0.00 C ATOM 165 C ILE A 15 4.716 24.379 -3.725 1.00 0.00 C ATOM 166 O ILE A 15 3.860 23.530 -3.480 1.00 0.00 O ATOM 167 CB ILE A 15 3.887 26.598 -4.512 1.00 0.00 C ATOM 168 CG1 ILE A 15 2.379 26.347 -4.573 1.00 0.00 C ATOM 169 CG2 ILE A 15 4.552 26.182 -5.816 1.00 0.00 C ATOM 170 CD1 ILE A 15 1.657 27.243 -5.556 1.00 0.00 C ATOM 0 H ILE A 15 5.987 27.321 -3.372 1.00 0.00 H new ATOM 0 HA ILE A 15 3.828 25.884 -2.476 1.00 0.00 H new ATOM 0 HB ILE A 15 4.053 27.665 -4.366 1.00 0.00 H new ATOM 0 HG12 ILE A 15 2.203 25.306 -4.845 1.00 0.00 H new ATOM 0 HG13 ILE A 15 1.954 26.493 -3.580 1.00 0.00 H new ATOM 0 HG21 ILE A 15 4.102 26.729 -6.645 1.00 0.00 H new ATOM 0 HG22 ILE A 15 5.617 26.407 -5.769 1.00 0.00 H new ATOM 0 HG23 ILE A 15 4.414 25.112 -5.970 1.00 0.00 H new ATOM 0 HD11 ILE A 15 0.592 27.010 -5.547 1.00 0.00 H new ATOM 0 HD12 ILE A 15 1.803 28.285 -5.273 1.00 0.00 H new ATOM 0 HD13 ILE A 15 2.055 27.080 -6.557 1.00 0.00 H new ATOM 182 N GLU A 16 5.861 24.098 -4.340 1.00 0.00 N ATOM 183 CA GLU A 16 6.182 22.742 -4.772 1.00 0.00 C ATOM 184 C GLU A 16 6.517 21.855 -3.577 1.00 0.00 C ATOM 185 O GLU A 16 6.043 20.723 -3.476 1.00 0.00 O ATOM 186 CB GLU A 16 7.357 22.761 -5.753 1.00 0.00 C ATOM 187 CG GLU A 16 7.190 23.760 -6.884 1.00 0.00 C ATOM 188 CD GLU A 16 7.861 23.307 -8.166 1.00 0.00 C ATOM 189 OE1 GLU A 16 9.105 23.209 -8.182 1.00 0.00 O ATOM 190 OE2 GLU A 16 7.141 23.051 -9.154 1.00 0.00 O ATOM 0 H GLU A 16 6.581 24.790 -4.550 1.00 0.00 H new ATOM 0 HA GLU A 16 5.306 22.330 -5.273 1.00 0.00 H new ATOM 0 HB2 GLU A 16 8.271 22.993 -5.207 1.00 0.00 H new ATOM 0 HB3 GLU A 16 7.482 21.764 -6.176 1.00 0.00 H new ATOM 0 HG2 GLU A 16 6.128 23.918 -7.070 1.00 0.00 H new ATOM 0 HG3 GLU A 16 7.606 24.720 -6.580 1.00 0.00 H new ATOM 197 N THR A 17 7.338 22.378 -2.671 1.00 0.00 N ATOM 198 CA THR A 17 7.738 21.634 -1.482 1.00 0.00 C ATOM 199 C THR A 17 6.527 21.249 -0.641 1.00 0.00 C ATOM 200 O THR A 17 6.488 20.171 -0.046 1.00 0.00 O ATOM 201 CB THR A 17 8.716 22.447 -0.614 1.00 0.00 C ATOM 202 OG1 THR A 17 9.958 22.621 -1.307 1.00 0.00 O ATOM 203 CG2 THR A 17 8.965 21.752 0.715 1.00 0.00 C ATOM 0 H THR A 17 7.739 23.314 -2.738 1.00 0.00 H new ATOM 0 HA THR A 17 8.238 20.729 -1.828 1.00 0.00 H new ATOM 0 HB THR A 17 8.270 23.422 -0.418 1.00 0.00 H new ATOM 0 HG1 THR A 17 9.823 23.211 -2.077 1.00 0.00 H new ATOM 0 HG21 THR A 17 9.659 22.345 1.311 1.00 0.00 H new ATOM 0 HG22 THR A 17 8.023 21.647 1.253 1.00 0.00 H new ATOM 0 HG23 THR A 17 9.392 20.765 0.535 1.00 0.00 H new ATOM 211 N LEU A 18 5.540 22.137 -0.594 1.00 0.00 N ATOM 212 CA LEU A 18 4.326 21.890 0.176 1.00 0.00 C ATOM 213 C LEU A 18 3.601 20.648 -0.333 1.00 0.00 C ATOM 214 O LEU A 18 3.158 19.810 0.453 1.00 0.00 O ATOM 215 CB LEU A 18 3.396 23.103 0.102 1.00 0.00 C ATOM 216 CG LEU A 18 3.733 24.265 1.038 1.00 0.00 C ATOM 217 CD1 LEU A 18 2.890 25.484 0.699 1.00 0.00 C ATOM 218 CD2 LEU A 18 3.527 23.858 2.490 1.00 0.00 C ATOM 0 H LEU A 18 5.557 23.034 -1.080 1.00 0.00 H new ATOM 0 HA LEU A 18 4.612 21.721 1.214 1.00 0.00 H new ATOM 0 HB2 LEU A 18 3.398 23.475 -0.922 1.00 0.00 H new ATOM 0 HB3 LEU A 18 2.381 22.771 0.318 1.00 0.00 H new ATOM 0 HG LEU A 18 4.783 24.525 0.901 1.00 0.00 H new ATOM 0 HD11 LEU A 18 3.143 26.301 1.375 1.00 0.00 H new ATOM 0 HD12 LEU A 18 3.088 25.789 -0.329 1.00 0.00 H new ATOM 0 HD13 LEU A 18 1.834 25.238 0.807 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.772 24.697 3.141 1.00 0.00 H new ATOM 0 HD22 LEU A 18 2.487 23.571 2.643 1.00 0.00 H new ATOM 0 HD23 LEU A 18 4.175 23.014 2.727 1.00 0.00 H new ATOM 230 N ARG A 19 3.485 20.536 -1.652 1.00 0.00 N ATOM 231 CA ARG A 19 2.816 19.397 -2.266 1.00 0.00 C ATOM 232 C ARG A 19 3.495 18.089 -1.870 1.00 0.00 C ATOM 233 O ARG A 19 2.837 17.065 -1.684 1.00 0.00 O ATOM 234 CB ARG A 19 2.810 19.540 -3.789 1.00 0.00 C ATOM 235 CG ARG A 19 2.076 20.776 -4.281 1.00 0.00 C ATOM 236 CD ARG A 19 2.254 20.971 -5.779 1.00 0.00 C ATOM 237 NE ARG A 19 1.435 22.068 -6.289 1.00 0.00 N ATOM 238 CZ ARG A 19 1.195 22.264 -7.581 1.00 0.00 C ATOM 239 NH1 ARG A 19 1.705 21.442 -8.487 1.00 0.00 N ATOM 240 NH2 ARG A 19 0.440 23.285 -7.968 1.00 0.00 N ATOM 0 H ARG A 19 3.846 21.221 -2.316 1.00 0.00 H new ATOM 0 HA ARG A 19 1.787 19.376 -1.906 1.00 0.00 H new ATOM 0 HB2 ARG A 19 3.839 19.572 -4.147 1.00 0.00 H new ATOM 0 HB3 ARG A 19 2.348 18.655 -4.227 1.00 0.00 H new ATOM 0 HG2 ARG A 19 1.015 20.687 -4.048 1.00 0.00 H new ATOM 0 HG3 ARG A 19 2.446 21.655 -3.752 1.00 0.00 H new ATOM 0 HD2 ARG A 19 3.303 21.170 -5.997 1.00 0.00 H new ATOM 0 HD3 ARG A 19 1.990 20.050 -6.298 1.00 0.00 H new ATOM 0 HE ARG A 19 1.026 22.718 -5.618 1.00 0.00 H new ATOM 0 HH11 ARG A 19 2.284 20.655 -8.193 1.00 0.00 H new ATOM 0 HH12 ARG A 19 1.518 21.596 -9.478 1.00 0.00 H new ATOM 0 HH21 ARG A 19 0.044 23.919 -7.274 1.00 0.00 H new ATOM 0 HH22 ARG A 19 0.256 23.436 -8.960 1.00 0.00 H new ATOM 254 N LYS A 20 4.817 18.130 -1.745 1.00 0.00 N ATOM 255 CA LYS A 20 5.588 16.949 -1.370 1.00 0.00 C ATOM 256 C LYS A 20 5.285 16.534 0.066 1.00 0.00 C ATOM 257 O LYS A 20 5.068 15.356 0.350 1.00 0.00 O ATOM 258 CB LYS A 20 7.085 17.222 -1.528 1.00 0.00 C ATOM 259 CG LYS A 20 7.579 17.099 -2.959 1.00 0.00 C ATOM 260 CD LYS A 20 7.482 18.422 -3.699 1.00 0.00 C ATOM 261 CE LYS A 20 8.562 18.545 -4.764 1.00 0.00 C ATOM 262 NZ LYS A 20 9.921 18.661 -4.166 1.00 0.00 N ATOM 0 H LYS A 20 5.378 18.968 -1.898 1.00 0.00 H new ATOM 0 HA LYS A 20 5.301 16.133 -2.033 1.00 0.00 H new ATOM 0 HB2 LYS A 20 7.303 18.225 -1.162 1.00 0.00 H new ATOM 0 HB3 LYS A 20 7.641 16.526 -0.900 1.00 0.00 H new ATOM 0 HG2 LYS A 20 8.614 16.756 -2.959 1.00 0.00 H new ATOM 0 HG3 LYS A 20 6.993 16.344 -3.483 1.00 0.00 H new ATOM 0 HD2 LYS A 20 6.500 18.509 -4.163 1.00 0.00 H new ATOM 0 HD3 LYS A 20 7.573 19.245 -2.990 1.00 0.00 H new ATOM 0 HE2 LYS A 20 8.527 17.674 -5.419 1.00 0.00 H new ATOM 0 HE3 LYS A 20 8.362 19.419 -5.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 10.557 19.135 -4.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 9.868 19.217 -3.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 10.288 17.712 -3.952 1.00 0.00 H new ATOM 276 N THR A 21 5.268 17.510 0.969 1.00 0.00 N ATOM 277 CA THR A 21 4.991 17.246 2.374 1.00 0.00 C ATOM 278 C THR A 21 3.656 16.530 2.547 1.00 0.00 C ATOM 279 O THR A 21 3.572 15.506 3.226 1.00 0.00 O ATOM 280 CB THR A 21 4.972 18.547 3.198 1.00 0.00 C ATOM 281 OG1 THR A 21 6.185 19.279 2.986 1.00 0.00 O ATOM 282 CG2 THR A 21 4.806 18.248 4.680 1.00 0.00 C ATOM 0 H THR A 21 5.443 18.491 0.751 1.00 0.00 H new ATOM 0 HA THR A 21 5.794 16.605 2.738 1.00 0.00 H new ATOM 0 HB THR A 21 4.124 19.147 2.868 1.00 0.00 H new ATOM 0 HG1 THR A 21 6.164 20.106 3.512 1.00 0.00 H new ATOM 0 HG21 THR A 21 4.796 19.183 5.241 1.00 0.00 H new ATOM 0 HG22 THR A 21 3.868 17.718 4.841 1.00 0.00 H new ATOM 0 HG23 THR A 21 5.636 17.629 5.022 1.00 0.00 H new ATOM 290 N VAL A 22 2.614 17.073 1.926 1.00 0.00 N ATOM 291 CA VAL A 22 1.283 16.484 2.009 1.00 0.00 C ATOM 292 C VAL A 22 1.240 15.122 1.324 1.00 0.00 C ATOM 293 O VAL A 22 0.617 14.186 1.822 1.00 0.00 O ATOM 294 CB VAL A 22 0.222 17.401 1.370 1.00 0.00 C ATOM 295 CG1 VAL A 22 -1.172 16.830 1.577 1.00 0.00 C ATOM 296 CG2 VAL A 22 0.322 18.808 1.942 1.00 0.00 C ATOM 0 H VAL A 22 2.666 17.920 1.360 1.00 0.00 H new ATOM 0 HA VAL A 22 1.057 16.362 3.068 1.00 0.00 H new ATOM 0 HB VAL A 22 0.410 17.454 0.298 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -1.908 17.491 1.119 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -1.233 15.844 1.116 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -1.375 16.745 2.644 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -0.434 19.443 1.480 1.00 0.00 H new ATOM 0 HG22 VAL A 22 0.160 18.775 3.019 1.00 0.00 H new ATOM 0 HG23 VAL A 22 1.312 19.215 1.737 1.00 0.00 H new ATOM 306 N GLU A 23 1.907 15.022 0.178 1.00 0.00 N ATOM 307 CA GLU A 23 1.945 13.774 -0.576 1.00 0.00 C ATOM 308 C GLU A 23 2.375 12.613 0.316 1.00 0.00 C ATOM 309 O GLU A 23 1.729 11.564 0.342 1.00 0.00 O ATOM 310 CB GLU A 23 2.901 13.899 -1.765 1.00 0.00 C ATOM 311 CG GLU A 23 2.228 14.390 -3.036 1.00 0.00 C ATOM 312 CD GLU A 23 3.080 14.164 -4.270 1.00 0.00 C ATOM 313 OE1 GLU A 23 3.484 13.005 -4.507 1.00 0.00 O ATOM 314 OE2 GLU A 23 3.341 15.142 -4.999 1.00 0.00 O ATOM 0 H GLU A 23 2.428 15.789 -0.248 1.00 0.00 H new ATOM 0 HA GLU A 23 0.940 13.573 -0.947 1.00 0.00 H new ATOM 0 HB2 GLU A 23 3.707 14.584 -1.502 1.00 0.00 H new ATOM 0 HB3 GLU A 23 3.358 12.928 -1.957 1.00 0.00 H new ATOM 0 HG2 GLU A 23 1.274 13.878 -3.159 1.00 0.00 H new ATOM 0 HG3 GLU A 23 2.009 15.453 -2.940 1.00 0.00 H new ATOM 321 N ASP A 24 3.468 12.806 1.044 1.00 0.00 N ATOM 322 CA ASP A 24 3.985 11.777 1.938 1.00 0.00 C ATOM 323 C ASP A 24 2.969 11.439 3.023 1.00 0.00 C ATOM 324 O ASP A 24 2.697 10.268 3.291 1.00 0.00 O ATOM 325 CB ASP A 24 5.297 12.235 2.575 1.00 0.00 C ATOM 326 CG ASP A 24 6.230 11.079 2.875 1.00 0.00 C ATOM 327 OD1 ASP A 24 6.087 10.465 3.953 1.00 0.00 O ATOM 328 OD2 ASP A 24 7.106 10.788 2.032 1.00 0.00 O ATOM 0 H ASP A 24 4.014 13.667 1.033 1.00 0.00 H new ATOM 0 HA ASP A 24 4.171 10.880 1.348 1.00 0.00 H new ATOM 0 HB2 ASP A 24 5.796 12.937 1.907 1.00 0.00 H new ATOM 0 HB3 ASP A 24 5.081 12.773 3.498 1.00 0.00 H new ATOM 333 N TYR A 25 2.411 12.472 3.645 1.00 0.00 N ATOM 334 CA TYR A 25 1.426 12.284 4.705 1.00 0.00 C ATOM 335 C TYR A 25 0.398 11.226 4.312 1.00 0.00 C ATOM 336 O TYR A 25 0.279 10.188 4.964 1.00 0.00 O ATOM 337 CB TYR A 25 0.721 13.606 5.014 1.00 0.00 C ATOM 338 CG TYR A 25 0.170 13.684 6.420 1.00 0.00 C ATOM 339 CD1 TYR A 25 1.000 13.972 7.496 1.00 0.00 C ATOM 340 CD2 TYR A 25 -1.179 13.469 6.671 1.00 0.00 C ATOM 341 CE1 TYR A 25 0.500 14.044 8.783 1.00 0.00 C ATOM 342 CE2 TYR A 25 -1.688 13.540 7.954 1.00 0.00 C ATOM 343 CZ TYR A 25 -0.843 13.827 9.006 1.00 0.00 C ATOM 344 OH TYR A 25 -1.345 13.897 10.286 1.00 0.00 O ATOM 0 H TYR A 25 2.623 13.447 3.434 1.00 0.00 H new ATOM 0 HA TYR A 25 1.950 11.942 5.597 1.00 0.00 H new ATOM 0 HB2 TYR A 25 1.422 14.426 4.862 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -0.094 13.748 4.305 1.00 0.00 H new ATOM 0 HD1 TYR A 25 2.053 14.142 7.325 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -1.842 13.242 5.849 1.00 0.00 H new ATOM 0 HE1 TYR A 25 1.158 14.269 9.609 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -2.740 13.372 8.132 1.00 0.00 H new ATOM 0 HH TYR A 25 -2.306 13.704 10.272 1.00 0.00 H new ATOM 354 N PHE A 26 -0.342 11.497 3.243 1.00 0.00 N ATOM 355 CA PHE A 26 -1.360 10.572 2.763 1.00 0.00 C ATOM 356 C PHE A 26 -0.827 9.142 2.739 1.00 0.00 C ATOM 357 O PHE A 26 -1.526 8.200 3.116 1.00 0.00 O ATOM 358 CB PHE A 26 -1.830 10.976 1.364 1.00 0.00 C ATOM 359 CG PHE A 26 -2.612 12.257 1.342 1.00 0.00 C ATOM 360 CD1 PHE A 26 -3.641 12.473 2.245 1.00 0.00 C ATOM 361 CD2 PHE A 26 -2.320 13.247 0.417 1.00 0.00 C ATOM 362 CE1 PHE A 26 -4.363 13.651 2.227 1.00 0.00 C ATOM 363 CE2 PHE A 26 -3.039 14.428 0.395 1.00 0.00 C ATOM 364 CZ PHE A 26 -4.062 14.629 1.300 1.00 0.00 C ATOM 0 H PHE A 26 -0.255 12.351 2.692 1.00 0.00 H new ATOM 0 HA PHE A 26 -2.206 10.615 3.449 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -0.962 11.078 0.713 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -2.445 10.177 0.951 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -3.881 11.711 2.972 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -1.522 13.094 -0.295 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -5.162 13.807 2.937 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -2.800 15.193 -0.330 1.00 0.00 H new ATOM 0 HZ PHE A 26 -4.626 15.550 1.283 1.00 0.00 H new ATOM 374 N CYS A 27 0.415 8.987 2.294 1.00 0.00 N ATOM 375 CA CYS A 27 1.043 7.673 2.218 1.00 0.00 C ATOM 376 C CYS A 27 1.166 7.049 3.604 1.00 0.00 C ATOM 377 O CYS A 27 0.910 5.859 3.786 1.00 0.00 O ATOM 378 CB CYS A 27 2.424 7.780 1.571 1.00 0.00 C ATOM 379 SG CYS A 27 2.469 8.830 0.098 1.00 0.00 S ATOM 0 H CYS A 27 1.007 9.756 1.980 1.00 0.00 H new ATOM 0 HA CYS A 27 0.411 7.031 1.604 1.00 0.00 H new ATOM 0 HB2 CYS A 27 3.128 8.172 2.305 1.00 0.00 H new ATOM 0 HB3 CYS A 27 2.766 6.781 1.303 1.00 0.00 H new ATOM 0 HG CYS A 27 2.390 10.078 0.452 1.00 0.00 H new ATOM 385 N PHE A 28 1.559 7.861 4.581 1.00 0.00 N ATOM 386 CA PHE A 28 1.718 7.388 5.951 1.00 0.00 C ATOM 387 C PHE A 28 0.383 6.921 6.523 1.00 0.00 C ATOM 388 O PHE A 28 0.256 5.786 6.986 1.00 0.00 O ATOM 389 CB PHE A 28 2.303 8.495 6.830 1.00 0.00 C ATOM 390 CG PHE A 28 2.075 8.278 8.298 1.00 0.00 C ATOM 391 CD1 PHE A 28 2.826 7.349 8.999 1.00 0.00 C ATOM 392 CD2 PHE A 28 1.109 9.003 8.977 1.00 0.00 C ATOM 393 CE1 PHE A 28 2.619 7.147 10.351 1.00 0.00 C ATOM 394 CE2 PHE A 28 0.898 8.806 10.328 1.00 0.00 C ATOM 395 CZ PHE A 28 1.652 7.875 11.016 1.00 0.00 C ATOM 0 H PHE A 28 1.773 8.849 4.449 1.00 0.00 H new ATOM 0 HA PHE A 28 2.405 6.541 5.940 1.00 0.00 H new ATOM 0 HB2 PHE A 28 3.375 8.568 6.644 1.00 0.00 H new ATOM 0 HB3 PHE A 28 1.863 9.449 6.539 1.00 0.00 H new ATOM 0 HD1 PHE A 28 3.582 6.776 8.483 1.00 0.00 H new ATOM 0 HD2 PHE A 28 0.514 9.730 8.444 1.00 0.00 H new ATOM 0 HE1 PHE A 28 3.213 6.421 10.886 1.00 0.00 H new ATOM 0 HE2 PHE A 28 0.144 9.380 10.846 1.00 0.00 H new ATOM 0 HZ PHE A 28 1.486 7.717 12.071 1.00 0.00 H new ATOM 405 N CYS A 29 -0.610 7.803 6.489 1.00 0.00 N ATOM 406 CA CYS A 29 -1.936 7.482 7.006 1.00 0.00 C ATOM 407 C CYS A 29 -2.511 6.256 6.305 1.00 0.00 C ATOM 408 O CYS A 29 -3.134 5.403 6.936 1.00 0.00 O ATOM 409 CB CYS A 29 -2.877 8.675 6.829 1.00 0.00 C ATOM 410 SG CYS A 29 -2.303 10.194 7.624 1.00 0.00 S ATOM 0 H CYS A 29 -0.522 8.746 6.109 1.00 0.00 H new ATOM 0 HA CYS A 29 -1.841 7.258 8.069 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -3.011 8.864 5.764 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -3.856 8.415 7.232 1.00 0.00 H new ATOM 0 HG CYS A 29 -2.044 11.088 6.716 1.00 0.00 H new ATOM 416 N TYR A 30 -2.299 6.176 4.996 1.00 0.00 N ATOM 417 CA TYR A 30 -2.799 5.056 4.208 1.00 0.00 C ATOM 418 C TYR A 30 -2.090 3.760 4.590 1.00 0.00 C ATOM 419 O TYR A 30 -2.715 2.819 5.076 1.00 0.00 O ATOM 420 CB TYR A 30 -2.610 5.332 2.714 1.00 0.00 C ATOM 421 CG TYR A 30 -3.208 4.267 1.823 1.00 0.00 C ATOM 422 CD1 TYR A 30 -4.503 3.808 2.026 1.00 0.00 C ATOM 423 CD2 TYR A 30 -2.476 3.719 0.776 1.00 0.00 C ATOM 424 CE1 TYR A 30 -5.053 2.836 1.214 1.00 0.00 C ATOM 425 CE2 TYR A 30 -3.019 2.747 -0.042 1.00 0.00 C ATOM 426 CZ TYR A 30 -4.307 2.308 0.181 1.00 0.00 C ATOM 427 OH TYR A 30 -4.850 1.338 -0.631 1.00 0.00 O ATOM 0 H TYR A 30 -1.784 6.873 4.458 1.00 0.00 H new ATOM 0 HA TYR A 30 -3.862 4.943 4.419 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -3.062 6.294 2.470 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -1.545 5.417 2.500 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -5.091 4.219 2.834 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -1.466 4.059 0.599 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -6.062 2.491 1.387 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -2.437 2.333 -0.852 1.00 0.00 H new ATOM 0 HH TYR A 30 -4.194 1.074 -1.309 1.00 0.00 H new ATOM 437 N GLY A 31 -0.780 3.722 4.367 1.00 0.00 N ATOM 438 CA GLY A 31 -0.007 2.538 4.695 1.00 0.00 C ATOM 439 C GLY A 31 -0.066 2.196 6.170 1.00 0.00 C ATOM 440 O GLY A 31 0.147 1.047 6.558 1.00 0.00 O ATOM 0 H GLY A 31 -0.241 4.489 3.966 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -0.378 1.693 4.115 1.00 0.00 H new ATOM 0 HA3 GLY A 31 1.031 2.694 4.403 1.00 0.00 H new ATOM 444 N LYS A 32 -0.355 3.196 6.996 1.00 0.00 N ATOM 445 CA LYS A 32 -0.442 2.998 8.438 1.00 0.00 C ATOM 446 C LYS A 32 -1.700 2.218 8.805 1.00 0.00 C ATOM 447 O LYS A 32 -1.650 1.272 9.591 1.00 0.00 O ATOM 448 CB LYS A 32 -0.436 4.346 9.161 1.00 0.00 C ATOM 449 CG LYS A 32 -0.956 4.275 10.585 1.00 0.00 C ATOM 450 CD LYS A 32 -2.460 4.476 10.641 1.00 0.00 C ATOM 451 CE LYS A 32 -2.897 5.054 11.978 1.00 0.00 C ATOM 452 NZ LYS A 32 -2.541 4.156 13.112 1.00 0.00 N ATOM 0 H LYS A 32 -0.533 4.153 6.691 1.00 0.00 H new ATOM 0 HA LYS A 32 0.427 2.421 8.753 1.00 0.00 H new ATOM 0 HB2 LYS A 32 0.581 4.737 9.174 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -1.043 5.054 8.597 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -0.701 3.308 11.018 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -0.464 5.036 11.191 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -2.769 5.144 9.837 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -2.962 3.523 10.474 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -2.428 6.027 12.124 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -3.975 5.218 11.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -2.986 4.506 13.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -2.880 3.193 12.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -1.508 4.141 13.232 1.00 0.00 H new ATOM 466 N ALA A 33 -2.829 2.620 8.230 1.00 0.00 N ATOM 467 CA ALA A 33 -4.100 1.958 8.494 1.00 0.00 C ATOM 468 C ALA A 33 -4.091 0.526 7.969 1.00 0.00 C ATOM 469 O ALA A 33 -4.780 -0.346 8.503 1.00 0.00 O ATOM 470 CB ALA A 33 -5.244 2.743 7.870 1.00 0.00 C ATOM 0 H ALA A 33 -2.889 3.402 7.578 1.00 0.00 H new ATOM 0 HA ALA A 33 -4.246 1.922 9.574 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -6.187 2.237 8.075 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -5.271 3.747 8.295 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -5.095 2.809 6.792 1.00 0.00 H new ATOM 476 N LEU A 34 -3.309 0.288 6.923 1.00 0.00 N ATOM 477 CA LEU A 34 -3.210 -1.040 6.326 1.00 0.00 C ATOM 478 C LEU A 34 -2.642 -2.045 7.324 1.00 0.00 C ATOM 479 O LEU A 34 -3.028 -3.213 7.331 1.00 0.00 O ATOM 480 CB LEU A 34 -2.332 -0.994 5.075 1.00 0.00 C ATOM 481 CG LEU A 34 -3.054 -0.695 3.760 1.00 0.00 C ATOM 482 CD1 LEU A 34 -2.051 -0.366 2.665 1.00 0.00 C ATOM 483 CD2 LEU A 34 -3.927 -1.872 3.351 1.00 0.00 C ATOM 0 H LEU A 34 -2.733 0.997 6.470 1.00 0.00 H new ATOM 0 HA LEU A 34 -4.213 -1.361 6.046 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -1.561 -0.238 5.224 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -1.823 -1.953 4.977 1.00 0.00 H new ATOM 0 HG LEU A 34 -3.697 0.173 3.909 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -2.582 -0.156 1.736 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -1.469 0.508 2.956 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -1.383 -1.214 2.517 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -4.433 -1.641 2.413 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -3.305 -2.758 3.220 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -4.669 -2.061 4.127 1.00 0.00 H new ATOM 495 N GLY A 35 -1.725 -1.580 8.167 1.00 0.00 N ATOM 496 CA GLY A 35 -1.121 -2.451 9.158 1.00 0.00 C ATOM 497 C GLY A 35 0.241 -2.960 8.729 1.00 0.00 C ATOM 498 O GLY A 35 0.703 -3.997 9.207 1.00 0.00 O ATOM 0 H GLY A 35 -1.390 -0.617 8.181 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -1.024 -1.912 10.100 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -1.781 -3.299 9.343 1.00 0.00 H new ATOM 502 N LYS A 36 0.885 -2.233 7.823 1.00 0.00 N ATOM 503 CA LYS A 36 2.202 -2.616 7.328 1.00 0.00 C ATOM 504 C LYS A 36 3.305 -1.936 8.133 1.00 0.00 C ATOM 505 O LYS A 36 3.030 -1.178 9.063 1.00 0.00 O ATOM 506 CB LYS A 36 2.338 -2.253 5.848 1.00 0.00 C ATOM 507 CG LYS A 36 1.165 -2.712 4.999 1.00 0.00 C ATOM 508 CD LYS A 36 1.614 -3.133 3.609 1.00 0.00 C ATOM 509 CE LYS A 36 1.730 -1.940 2.675 1.00 0.00 C ATOM 510 NZ LYS A 36 2.366 -2.309 1.380 1.00 0.00 N ATOM 0 H LYS A 36 0.516 -1.374 7.416 1.00 0.00 H new ATOM 0 HA LYS A 36 2.306 -3.695 7.442 1.00 0.00 H new ATOM 0 HB2 LYS A 36 2.441 -1.172 5.756 1.00 0.00 H new ATOM 0 HB3 LYS A 36 3.254 -2.695 5.457 1.00 0.00 H new ATOM 0 HG2 LYS A 36 0.664 -3.547 5.489 1.00 0.00 H new ATOM 0 HG3 LYS A 36 0.436 -1.906 4.918 1.00 0.00 H new ATOM 0 HD2 LYS A 36 2.577 -3.640 3.675 1.00 0.00 H new ATOM 0 HD3 LYS A 36 0.904 -3.850 3.198 1.00 0.00 H new ATOM 0 HE2 LYS A 36 0.739 -1.527 2.488 1.00 0.00 H new ATOM 0 HE3 LYS A 36 2.315 -1.157 3.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 2.036 -1.663 0.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 3.400 -2.237 1.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 2.107 -3.285 1.132 1.00 0.00 H new ATOM 524 N SER A 37 4.553 -2.211 7.768 1.00 0.00 N ATOM 525 CA SER A 37 5.697 -1.628 8.458 1.00 0.00 C ATOM 526 C SER A 37 6.397 -0.599 7.575 1.00 0.00 C ATOM 527 O SER A 37 7.564 -0.269 7.789 1.00 0.00 O ATOM 528 CB SER A 37 6.685 -2.722 8.866 1.00 0.00 C ATOM 529 OG SER A 37 7.469 -3.140 7.762 1.00 0.00 O ATOM 0 H SER A 37 4.797 -2.834 6.998 1.00 0.00 H new ATOM 0 HA SER A 37 5.332 -1.125 9.354 1.00 0.00 H new ATOM 0 HB2 SER A 37 7.336 -2.352 9.658 1.00 0.00 H new ATOM 0 HB3 SER A 37 6.141 -3.574 9.273 1.00 0.00 H new ATOM 0 HG SER A 37 8.093 -3.838 8.050 1.00 0.00 H new ATOM 535 N THR A 38 5.675 -0.095 6.578 1.00 0.00 N ATOM 536 CA THR A 38 6.225 0.896 5.661 1.00 0.00 C ATOM 537 C THR A 38 5.118 1.722 5.015 1.00 0.00 C ATOM 538 O THR A 38 3.961 1.302 4.974 1.00 0.00 O ATOM 539 CB THR A 38 7.067 0.232 4.556 1.00 0.00 C ATOM 540 OG1 THR A 38 6.253 -0.668 3.794 1.00 0.00 O ATOM 541 CG2 THR A 38 8.244 -0.525 5.153 1.00 0.00 C ATOM 0 H THR A 38 4.708 -0.357 6.385 1.00 0.00 H new ATOM 0 HA THR A 38 6.866 1.551 6.251 1.00 0.00 H new ATOM 0 HB THR A 38 7.452 1.016 3.903 1.00 0.00 H new ATOM 0 HG1 THR A 38 6.795 -1.085 3.092 1.00 0.00 H new ATOM 0 HG21 THR A 38 8.824 -0.985 4.353 1.00 0.00 H new ATOM 0 HG22 THR A 38 8.877 0.167 5.709 1.00 0.00 H new ATOM 0 HG23 THR A 38 7.875 -1.299 5.826 1.00 0.00 H new ATOM 549 N VAL A 39 5.481 2.896 4.510 1.00 0.00 N ATOM 550 CA VAL A 39 4.518 3.779 3.863 1.00 0.00 C ATOM 551 C VAL A 39 4.034 3.193 2.542 1.00 0.00 C ATOM 552 O VAL A 39 4.727 2.391 1.916 1.00 0.00 O ATOM 553 CB VAL A 39 5.121 5.172 3.602 1.00 0.00 C ATOM 554 CG1 VAL A 39 4.999 6.048 4.841 1.00 0.00 C ATOM 555 CG2 VAL A 39 6.574 5.051 3.168 1.00 0.00 C ATOM 0 H VAL A 39 6.434 3.258 4.536 1.00 0.00 H new ATOM 0 HA VAL A 39 3.673 3.878 4.545 1.00 0.00 H new ATOM 0 HB VAL A 39 4.562 5.645 2.795 1.00 0.00 H new ATOM 0 HG11 VAL A 39 5.430 7.028 4.638 1.00 0.00 H new ATOM 0 HG12 VAL A 39 3.947 6.162 5.104 1.00 0.00 H new ATOM 0 HG13 VAL A 39 5.532 5.582 5.670 1.00 0.00 H new ATOM 0 HG21 VAL A 39 6.984 6.045 2.988 1.00 0.00 H new ATOM 0 HG22 VAL A 39 7.148 4.558 3.953 1.00 0.00 H new ATOM 0 HG23 VAL A 39 6.632 4.463 2.252 1.00 0.00 H new ATOM 565 N VAL A 40 2.839 3.598 2.123 1.00 0.00 N ATOM 566 CA VAL A 40 2.262 3.113 0.874 1.00 0.00 C ATOM 567 C VAL A 40 1.752 4.269 0.020 1.00 0.00 C ATOM 568 O VAL A 40 1.041 5.155 0.492 1.00 0.00 O ATOM 569 CB VAL A 40 1.104 2.132 1.135 1.00 0.00 C ATOM 570 CG1 VAL A 40 0.411 1.765 -0.168 1.00 0.00 C ATOM 571 CG2 VAL A 40 1.611 0.887 1.847 1.00 0.00 C ATOM 0 H VAL A 40 2.252 4.260 2.630 1.00 0.00 H new ATOM 0 HA VAL A 40 3.056 2.592 0.339 1.00 0.00 H new ATOM 0 HB VAL A 40 0.375 2.621 1.781 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -0.404 1.071 0.036 1.00 0.00 H new ATOM 0 HG12 VAL A 40 0.012 2.666 -0.634 1.00 0.00 H new ATOM 0 HG13 VAL A 40 1.128 1.295 -0.841 1.00 0.00 H new ATOM 0 HG21 VAL A 40 0.779 0.205 2.023 1.00 0.00 H new ATOM 0 HG22 VAL A 40 2.360 0.393 1.228 1.00 0.00 H new ATOM 0 HG23 VAL A 40 2.057 1.169 2.801 1.00 0.00 H new ATOM 581 N PRO A 41 2.122 4.259 -1.269 1.00 0.00 N ATOM 582 CA PRO A 41 1.712 5.299 -2.218 1.00 0.00 C ATOM 583 C PRO A 41 0.225 5.233 -2.543 1.00 0.00 C ATOM 584 O PRO A 41 -0.233 4.313 -3.222 1.00 0.00 O ATOM 585 CB PRO A 41 2.547 4.991 -3.464 1.00 0.00 C ATOM 586 CG PRO A 41 2.847 3.535 -3.368 1.00 0.00 C ATOM 587 CD PRO A 41 2.970 3.233 -1.900 1.00 0.00 C ATOM 0 HA PRO A 41 1.871 6.301 -1.819 1.00 0.00 H new ATOM 0 HB2 PRO A 41 1.997 5.223 -4.376 1.00 0.00 H new ATOM 0 HB3 PRO A 41 3.462 5.583 -3.484 1.00 0.00 H new ATOM 0 HG2 PRO A 41 2.053 2.942 -3.823 1.00 0.00 H new ATOM 0 HG3 PRO A 41 3.769 3.291 -3.895 1.00 0.00 H new ATOM 0 HD2 PRO A 41 2.624 2.226 -1.666 1.00 0.00 H new ATOM 0 HD3 PRO A 41 4.004 3.301 -1.561 1.00 0.00 H new ATOM 595 N VAL A 42 -0.528 6.214 -2.056 1.00 0.00 N ATOM 596 CA VAL A 42 -1.965 6.268 -2.296 1.00 0.00 C ATOM 597 C VAL A 42 -2.268 6.387 -3.785 1.00 0.00 C ATOM 598 O VAL A 42 -1.931 7.375 -4.437 1.00 0.00 O ATOM 599 CB VAL A 42 -2.613 7.452 -1.556 1.00 0.00 C ATOM 600 CG1 VAL A 42 -4.092 7.554 -1.902 1.00 0.00 C ATOM 601 CG2 VAL A 42 -2.417 7.313 -0.054 1.00 0.00 C ATOM 0 H VAL A 42 -0.166 6.983 -1.492 1.00 0.00 H new ATOM 0 HA VAL A 42 -2.385 5.337 -1.915 1.00 0.00 H new ATOM 0 HB VAL A 42 -2.125 8.371 -1.880 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -4.533 8.397 -1.369 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -4.205 7.704 -2.976 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -4.599 6.634 -1.609 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -2.881 8.159 0.453 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -2.878 6.387 0.289 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -1.351 7.294 0.174 1.00 0.00 H new ATOM 611 N PRO A 43 -2.921 5.354 -4.339 1.00 0.00 N ATOM 612 CA PRO A 43 -3.286 5.319 -5.759 1.00 0.00 C ATOM 613 C PRO A 43 -4.381 6.322 -6.101 1.00 0.00 C ATOM 614 O PRO A 43 -5.551 5.958 -6.234 1.00 0.00 O ATOM 615 CB PRO A 43 -3.790 3.887 -5.960 1.00 0.00 C ATOM 616 CG PRO A 43 -4.257 3.457 -4.611 1.00 0.00 C ATOM 617 CD PRO A 43 -3.354 4.142 -3.624 1.00 0.00 C ATOM 0 HA PRO A 43 -2.447 5.585 -6.402 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -4.599 3.851 -6.689 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -2.998 3.237 -6.331 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -5.297 3.739 -4.450 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -4.201 2.374 -4.505 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -3.880 4.387 -2.701 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -2.507 3.513 -3.351 1.00 0.00 H new ATOM 625 N TYR A 44 -3.997 7.585 -6.243 1.00 0.00 N ATOM 626 CA TYR A 44 -4.947 8.642 -6.569 1.00 0.00 C ATOM 627 C TYR A 44 -5.829 8.239 -7.747 1.00 0.00 C ATOM 628 O TYR A 44 -7.055 8.294 -7.665 1.00 0.00 O ATOM 629 CB TYR A 44 -4.208 9.941 -6.891 1.00 0.00 C ATOM 630 CG TYR A 44 -3.362 10.457 -5.749 1.00 0.00 C ATOM 631 CD1 TYR A 44 -2.083 9.960 -5.526 1.00 0.00 C ATOM 632 CD2 TYR A 44 -3.842 11.438 -4.891 1.00 0.00 C ATOM 633 CE1 TYR A 44 -1.306 10.428 -4.484 1.00 0.00 C ATOM 634 CE2 TYR A 44 -3.073 11.913 -3.847 1.00 0.00 C ATOM 635 CZ TYR A 44 -1.806 11.404 -3.646 1.00 0.00 C ATOM 636 OH TYR A 44 -1.036 11.873 -2.606 1.00 0.00 O ATOM 0 H TYR A 44 -3.033 7.902 -6.137 1.00 0.00 H new ATOM 0 HA TYR A 44 -5.585 8.802 -5.700 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -3.570 9.780 -7.760 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -4.936 10.704 -7.166 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -1.690 9.195 -6.179 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -4.834 11.836 -5.043 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -0.313 10.033 -4.326 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -3.461 12.679 -3.191 1.00 0.00 H new ATOM 0 HH TYR A 44 -0.088 11.814 -2.848 1.00 0.00 H new ATOM 646 N GLU A 45 -5.192 7.833 -8.841 1.00 0.00 N ATOM 647 CA GLU A 45 -5.918 7.420 -10.038 1.00 0.00 C ATOM 648 C GLU A 45 -7.070 6.487 -9.679 1.00 0.00 C ATOM 649 O GLU A 45 -8.220 6.733 -10.045 1.00 0.00 O ATOM 650 CB GLU A 45 -4.972 6.727 -11.020 1.00 0.00 C ATOM 651 CG GLU A 45 -5.662 5.707 -11.912 1.00 0.00 C ATOM 652 CD GLU A 45 -4.936 5.497 -13.226 1.00 0.00 C ATOM 653 OE1 GLU A 45 -4.267 6.444 -13.692 1.00 0.00 O ATOM 654 OE2 GLU A 45 -5.038 4.388 -13.790 1.00 0.00 O ATOM 0 H GLU A 45 -4.177 7.781 -8.924 1.00 0.00 H new ATOM 0 HA GLU A 45 -6.330 8.312 -10.510 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -4.495 7.481 -11.646 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -4.180 6.230 -10.460 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -5.732 4.756 -11.384 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -6.682 6.036 -12.113 1.00 0.00 H new ATOM 661 N LYS A 46 -6.755 5.416 -8.961 1.00 0.00 N ATOM 662 CA LYS A 46 -7.762 4.443 -8.552 1.00 0.00 C ATOM 663 C LYS A 46 -8.742 5.062 -7.560 1.00 0.00 C ATOM 664 O LYS A 46 -9.942 5.142 -7.826 1.00 0.00 O ATOM 665 CB LYS A 46 -7.094 3.217 -7.926 1.00 0.00 C ATOM 666 CG LYS A 46 -5.972 2.639 -8.772 1.00 0.00 C ATOM 667 CD LYS A 46 -5.840 1.139 -8.571 1.00 0.00 C ATOM 668 CE LYS A 46 -6.695 0.366 -9.565 1.00 0.00 C ATOM 669 NZ LYS A 46 -8.066 0.116 -9.038 1.00 0.00 N ATOM 0 H LYS A 46 -5.809 5.198 -8.649 1.00 0.00 H new ATOM 0 HA LYS A 46 -8.314 4.134 -9.440 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -6.697 3.489 -6.948 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -7.848 2.447 -7.761 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -6.162 2.851 -9.824 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -5.032 3.126 -8.513 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -4.796 0.846 -8.683 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -6.137 0.879 -7.555 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -6.761 0.924 -10.499 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -6.215 -0.585 -9.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -8.512 -0.651 -9.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -8.008 -0.157 -8.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -8.636 0.981 -9.128 1.00 0.00 H new ATOM 683 N MET A 47 -8.225 5.499 -6.416 1.00 0.00 N ATOM 684 CA MET A 47 -9.055 6.112 -5.387 1.00 0.00 C ATOM 685 C MET A 47 -10.071 7.068 -6.005 1.00 0.00 C ATOM 686 O MET A 47 -11.222 7.133 -5.570 1.00 0.00 O ATOM 687 CB MET A 47 -8.183 6.861 -4.377 1.00 0.00 C ATOM 688 CG MET A 47 -7.662 5.981 -3.253 1.00 0.00 C ATOM 689 SD MET A 47 -8.882 5.723 -1.951 1.00 0.00 S ATOM 690 CE MET A 47 -8.649 7.203 -0.970 1.00 0.00 C ATOM 0 H MET A 47 -7.235 5.440 -6.179 1.00 0.00 H new ATOM 0 HA MET A 47 -9.596 5.318 -4.872 1.00 0.00 H new ATOM 0 HB2 MET A 47 -7.337 7.307 -4.900 1.00 0.00 H new ATOM 0 HB3 MET A 47 -8.760 7.680 -3.948 1.00 0.00 H new ATOM 0 HG2 MET A 47 -7.363 5.016 -3.661 1.00 0.00 H new ATOM 0 HG3 MET A 47 -6.769 6.436 -2.824 1.00 0.00 H new ATOM 0 HE1 MET A 47 -8.832 6.976 0.080 1.00 0.00 H new ATOM 0 HE2 MET A 47 -7.627 7.562 -1.091 1.00 0.00 H new ATOM 0 HE3 MET A 47 -9.346 7.973 -1.302 1.00 0.00 H new ATOM 700 N LEU A 48 -9.641 7.806 -7.021 1.00 0.00 N ATOM 701 CA LEU A 48 -10.512 8.757 -7.699 1.00 0.00 C ATOM 702 C LEU A 48 -11.782 8.074 -8.197 1.00 0.00 C ATOM 703 O LEU A 48 -12.891 8.555 -7.961 1.00 0.00 O ATOM 704 CB LEU A 48 -9.777 9.408 -8.873 1.00 0.00 C ATOM 705 CG LEU A 48 -8.811 10.538 -8.517 1.00 0.00 C ATOM 706 CD1 LEU A 48 -7.966 10.918 -9.723 1.00 0.00 C ATOM 707 CD2 LEU A 48 -9.573 11.747 -7.995 1.00 0.00 C ATOM 0 H LEU A 48 -8.693 7.764 -7.394 1.00 0.00 H new ATOM 0 HA LEU A 48 -10.793 9.528 -6.981 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -9.220 8.634 -9.401 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -10.520 9.798 -9.569 1.00 0.00 H new ATOM 0 HG LEU A 48 -8.145 10.186 -7.729 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -7.285 11.724 -9.450 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -7.391 10.052 -10.052 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -8.616 11.251 -10.532 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -8.869 12.541 -7.747 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -10.263 12.100 -8.761 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -10.133 11.467 -7.103 1.00 0.00 H new ATOM 719 N ARG A 49 -11.613 6.949 -8.884 1.00 0.00 N ATOM 720 CA ARG A 49 -12.745 6.199 -9.413 1.00 0.00 C ATOM 721 C ARG A 49 -13.383 5.338 -8.325 1.00 0.00 C ATOM 722 O ARG A 49 -14.566 5.006 -8.398 1.00 0.00 O ATOM 723 CB ARG A 49 -12.298 5.315 -10.580 1.00 0.00 C ATOM 724 CG ARG A 49 -11.797 3.946 -10.151 1.00 0.00 C ATOM 725 CD ARG A 49 -11.047 3.250 -11.274 1.00 0.00 C ATOM 726 NE ARG A 49 -10.224 4.180 -12.042 1.00 0.00 N ATOM 727 CZ ARG A 49 -10.662 4.844 -13.107 1.00 0.00 C ATOM 728 NH1 ARG A 49 -11.909 4.680 -13.526 1.00 0.00 N ATOM 729 NH2 ARG A 49 -9.853 5.674 -13.752 1.00 0.00 N ATOM 0 H ARG A 49 -10.702 6.537 -9.087 1.00 0.00 H new ATOM 0 HA ARG A 49 -13.487 6.913 -9.770 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -13.133 5.187 -11.268 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -11.507 5.826 -11.129 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -11.142 4.052 -9.286 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -12.641 3.330 -9.839 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -10.415 2.466 -10.856 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -11.760 2.763 -11.939 1.00 0.00 H new ATOM 0 HE ARG A 49 -9.260 4.328 -11.745 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -12.534 4.044 -13.031 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -12.244 5.190 -14.343 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -8.894 5.803 -13.431 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -10.190 6.183 -14.569 1.00 0.00 H new ATOM 743 N ASP A 50 -12.591 4.981 -7.320 1.00 0.00 N ATOM 744 CA ASP A 50 -13.079 4.161 -6.218 1.00 0.00 C ATOM 745 C ASP A 50 -12.620 4.726 -4.876 1.00 0.00 C ATOM 746 O ASP A 50 -11.575 4.341 -4.355 1.00 0.00 O ATOM 747 CB ASP A 50 -12.590 2.720 -6.372 1.00 0.00 C ATOM 748 CG ASP A 50 -13.558 1.862 -7.163 1.00 0.00 C ATOM 749 OD1 ASP A 50 -13.543 1.946 -8.408 1.00 0.00 O ATOM 750 OD2 ASP A 50 -14.331 1.107 -6.535 1.00 0.00 O ATOM 0 H ASP A 50 -11.609 5.247 -7.246 1.00 0.00 H new ATOM 0 HA ASP A 50 -14.169 4.172 -6.243 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -11.620 2.720 -6.868 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -12.443 2.282 -5.385 1.00 0.00 H new ATOM 755 N GLN A 51 -13.411 5.641 -4.325 1.00 0.00 N ATOM 756 CA GLN A 51 -13.085 6.260 -3.045 1.00 0.00 C ATOM 757 C GLN A 51 -13.536 5.381 -1.885 1.00 0.00 C ATOM 758 O GLN A 51 -12.951 5.414 -0.802 1.00 0.00 O ATOM 759 CB GLN A 51 -13.738 7.639 -2.941 1.00 0.00 C ATOM 760 CG GLN A 51 -13.297 8.606 -4.028 1.00 0.00 C ATOM 761 CD GLN A 51 -13.583 10.052 -3.674 1.00 0.00 C ATOM 762 OE1 GLN A 51 -14.395 10.339 -2.793 1.00 0.00 O ATOM 763 NE2 GLN A 51 -12.917 10.973 -4.360 1.00 0.00 N ATOM 0 H GLN A 51 -14.281 5.970 -4.744 1.00 0.00 H new ATOM 0 HA GLN A 51 -12.002 6.374 -2.990 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -14.821 7.523 -2.987 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -13.505 8.070 -1.967 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -12.229 8.484 -4.206 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -13.806 8.356 -4.959 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -12.253 10.691 -5.081 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -13.069 11.963 -4.166 1.00 0.00 H new ATOM 772 N SER A 52 -14.582 4.594 -2.117 1.00 0.00 N ATOM 773 CA SER A 52 -15.116 3.708 -1.089 1.00 0.00 C ATOM 774 C SER A 52 -14.003 2.882 -0.453 1.00 0.00 C ATOM 775 O SER A 52 -13.812 2.908 0.763 1.00 0.00 O ATOM 776 CB SER A 52 -16.177 2.780 -1.686 1.00 0.00 C ATOM 777 OG SER A 52 -15.683 2.109 -2.831 1.00 0.00 O ATOM 0 H SER A 52 -15.077 4.552 -3.008 1.00 0.00 H new ATOM 0 HA SER A 52 -15.575 4.324 -0.316 1.00 0.00 H new ATOM 0 HB2 SER A 52 -16.488 2.050 -0.939 1.00 0.00 H new ATOM 0 HB3 SER A 52 -17.061 3.358 -1.953 1.00 0.00 H new ATOM 0 HG SER A 52 -16.380 1.522 -3.192 1.00 0.00 H new ATOM 783 N ALA A 53 -13.269 2.148 -1.283 1.00 0.00 N ATOM 784 CA ALA A 53 -12.174 1.315 -0.804 1.00 0.00 C ATOM 785 C ALA A 53 -11.489 1.951 0.401 1.00 0.00 C ATOM 786 O ALA A 53 -11.180 1.273 1.381 1.00 0.00 O ATOM 787 CB ALA A 53 -11.166 1.074 -1.919 1.00 0.00 C ATOM 0 H ALA A 53 -13.414 2.114 -2.292 1.00 0.00 H new ATOM 0 HA ALA A 53 -12.589 0.357 -0.491 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -10.354 0.450 -1.546 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -11.658 0.571 -2.751 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -10.764 2.029 -2.259 1.00 0.00 H new ATOM 793 N VAL A 54 -11.251 3.256 0.322 1.00 0.00 N ATOM 794 CA VAL A 54 -10.603 3.983 1.407 1.00 0.00 C ATOM 795 C VAL A 54 -11.180 5.388 1.548 1.00 0.00 C ATOM 796 O VAL A 54 -11.167 6.175 0.602 1.00 0.00 O ATOM 797 CB VAL A 54 -9.082 4.084 1.183 1.00 0.00 C ATOM 798 CG1 VAL A 54 -8.368 4.371 2.496 1.00 0.00 C ATOM 799 CG2 VAL A 54 -8.552 2.810 0.546 1.00 0.00 C ATOM 0 H VAL A 54 -11.497 3.832 -0.483 1.00 0.00 H new ATOM 0 HA VAL A 54 -10.792 3.423 2.323 1.00 0.00 H new ATOM 0 HB VAL A 54 -8.886 4.912 0.501 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -7.295 4.439 2.319 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -8.728 5.314 2.908 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -8.569 3.566 3.203 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -7.476 2.899 0.395 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -8.758 1.963 1.201 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -9.041 2.653 -0.415 1.00 0.00 H new ATOM 809 N VAL A 55 -11.685 5.696 2.739 1.00 0.00 N ATOM 810 CA VAL A 55 -12.265 7.006 3.006 1.00 0.00 C ATOM 811 C VAL A 55 -11.265 7.917 3.709 1.00 0.00 C ATOM 812 O VAL A 55 -10.497 7.473 4.563 1.00 0.00 O ATOM 813 CB VAL A 55 -13.534 6.893 3.871 1.00 0.00 C ATOM 814 CG1 VAL A 55 -14.201 8.251 4.023 1.00 0.00 C ATOM 815 CG2 VAL A 55 -14.498 5.879 3.271 1.00 0.00 C ATOM 0 H VAL A 55 -11.704 5.056 3.533 1.00 0.00 H new ATOM 0 HA VAL A 55 -12.529 7.437 2.040 1.00 0.00 H new ATOM 0 HB VAL A 55 -13.247 6.545 4.863 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -15.096 8.150 4.637 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -13.509 8.945 4.501 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -14.477 8.633 3.040 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -15.389 5.811 3.895 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -14.781 6.196 2.267 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -14.015 4.903 3.221 1.00 0.00 H new ATOM 825 N VAL A 56 -11.279 9.195 3.346 1.00 0.00 N ATOM 826 CA VAL A 56 -10.374 10.171 3.943 1.00 0.00 C ATOM 827 C VAL A 56 -11.134 11.165 4.814 1.00 0.00 C ATOM 828 O VAL A 56 -12.081 11.805 4.359 1.00 0.00 O ATOM 829 CB VAL A 56 -9.590 10.943 2.864 1.00 0.00 C ATOM 830 CG1 VAL A 56 -8.499 11.789 3.502 1.00 0.00 C ATOM 831 CG2 VAL A 56 -9.004 9.983 1.841 1.00 0.00 C ATOM 0 H VAL A 56 -11.908 9.580 2.641 1.00 0.00 H new ATOM 0 HA VAL A 56 -9.671 9.614 4.563 1.00 0.00 H new ATOM 0 HB VAL A 56 -10.279 11.611 2.346 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -7.955 12.327 2.726 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -8.949 12.503 4.192 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -7.810 11.144 4.047 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -8.454 10.546 1.087 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -8.328 9.288 2.340 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -9.809 9.426 1.362 1.00 0.00 H new ATOM 841 N GLN A 57 -10.712 11.287 6.069 1.00 0.00 N ATOM 842 CA GLN A 57 -11.353 12.203 7.003 1.00 0.00 C ATOM 843 C GLN A 57 -10.383 13.291 7.452 1.00 0.00 C ATOM 844 O GLN A 57 -9.170 13.158 7.294 1.00 0.00 O ATOM 845 CB GLN A 57 -11.879 11.439 8.220 1.00 0.00 C ATOM 846 CG GLN A 57 -13.172 10.687 7.953 1.00 0.00 C ATOM 847 CD GLN A 57 -13.908 10.322 9.227 1.00 0.00 C ATOM 848 OE1 GLN A 57 -13.615 10.850 10.300 1.00 0.00 O ATOM 849 NE2 GLN A 57 -14.872 9.415 9.116 1.00 0.00 N ATOM 0 H GLN A 57 -9.930 10.763 6.461 1.00 0.00 H new ATOM 0 HA GLN A 57 -12.190 12.677 6.490 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -11.119 10.732 8.551 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -12.039 12.141 9.038 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -13.821 11.298 7.326 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -12.951 9.779 7.393 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -15.082 9.003 8.207 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -15.402 9.131 9.940 1.00 0.00 H new ATOM 858 N GLY A 58 -10.926 14.368 8.012 1.00 0.00 N ATOM 859 CA GLY A 58 -10.094 15.463 8.474 1.00 0.00 C ATOM 860 C GLY A 58 -9.852 16.502 7.396 1.00 0.00 C ATOM 861 O GLY A 58 -8.897 17.277 7.475 1.00 0.00 O ATOM 0 H GLY A 58 -11.927 14.501 8.154 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -10.568 15.938 9.333 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -9.137 15.069 8.816 1.00 0.00 H new ATOM 865 N LEU A 59 -10.715 16.517 6.386 1.00 0.00 N ATOM 866 CA LEU A 59 -10.588 17.467 5.286 1.00 0.00 C ATOM 867 C LEU A 59 -11.398 18.730 5.563 1.00 0.00 C ATOM 868 O LEU A 59 -12.363 18.724 6.326 1.00 0.00 O ATOM 869 CB LEU A 59 -11.052 16.826 3.977 1.00 0.00 C ATOM 870 CG LEU A 59 -10.050 15.896 3.293 1.00 0.00 C ATOM 871 CD1 LEU A 59 -10.592 15.422 1.954 1.00 0.00 C ATOM 872 CD2 LEU A 59 -8.712 16.596 3.111 1.00 0.00 C ATOM 0 H LEU A 59 -11.510 15.883 6.306 1.00 0.00 H new ATOM 0 HA LEU A 59 -9.538 17.743 5.195 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -11.964 16.262 4.175 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -11.314 17.621 3.279 1.00 0.00 H new ATOM 0 HG LEU A 59 -9.898 15.025 3.930 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -9.866 14.761 1.481 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -11.526 14.882 2.110 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -10.773 16.282 1.310 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -8.011 15.919 2.623 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -8.847 17.485 2.495 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -8.318 16.886 4.085 1.00 0.00 H new ATOM 884 N PRO A 60 -10.997 19.841 4.926 1.00 0.00 N ATOM 885 CA PRO A 60 -11.673 21.132 5.085 1.00 0.00 C ATOM 886 C PRO A 60 -13.057 21.145 4.444 1.00 0.00 C ATOM 887 O PRO A 60 -13.603 20.095 4.107 1.00 0.00 O ATOM 888 CB PRO A 60 -10.742 22.111 4.367 1.00 0.00 C ATOM 889 CG PRO A 60 -10.012 21.277 3.371 1.00 0.00 C ATOM 890 CD PRO A 60 -9.855 19.922 4.001 1.00 0.00 C ATOM 0 HA PRO A 60 -11.844 21.376 6.134 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -11.304 22.908 3.880 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -10.054 22.587 5.065 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -10.568 21.210 2.436 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -9.041 21.712 3.134 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -9.884 19.127 3.256 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -8.905 19.831 4.527 1.00 0.00 H new ATOM 898 N GLU A 61 -13.616 22.339 4.277 1.00 0.00 N ATOM 899 CA GLU A 61 -14.936 22.486 3.676 1.00 0.00 C ATOM 900 C GLU A 61 -14.833 22.595 2.158 1.00 0.00 C ATOM 901 O GLU A 61 -13.750 22.798 1.611 1.00 0.00 O ATOM 902 CB GLU A 61 -15.642 23.721 4.240 1.00 0.00 C ATOM 903 CG GLU A 61 -17.157 23.600 4.262 1.00 0.00 C ATOM 904 CD GLU A 61 -17.823 24.740 5.006 1.00 0.00 C ATOM 905 OE1 GLU A 61 -17.429 25.903 4.785 1.00 0.00 O ATOM 906 OE2 GLU A 61 -18.739 24.469 5.811 1.00 0.00 O ATOM 0 H GLU A 61 -13.176 23.218 4.549 1.00 0.00 H new ATOM 0 HA GLU A 61 -15.520 21.599 3.921 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -15.286 23.901 5.254 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -15.364 24.591 3.645 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -17.530 23.572 3.238 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -17.435 22.655 4.729 1.00 0.00 H new ATOM 913 N GLY A 62 -15.971 22.458 1.482 1.00 0.00 N ATOM 914 CA GLY A 62 -15.987 22.543 0.034 1.00 0.00 C ATOM 915 C GLY A 62 -14.767 21.905 -0.599 1.00 0.00 C ATOM 916 O GLY A 62 -14.287 22.358 -1.639 1.00 0.00 O ATOM 0 H GLY A 62 -16.881 22.290 1.912 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -16.885 22.056 -0.345 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -16.042 23.590 -0.265 1.00 0.00 H new ATOM 920 N VAL A 63 -14.259 20.849 0.030 1.00 0.00 N ATOM 921 CA VAL A 63 -13.085 20.148 -0.477 1.00 0.00 C ATOM 922 C VAL A 63 -13.404 18.686 -0.773 1.00 0.00 C ATOM 923 O VAL A 63 -14.263 18.084 -0.128 1.00 0.00 O ATOM 924 CB VAL A 63 -11.917 20.214 0.523 1.00 0.00 C ATOM 925 CG1 VAL A 63 -12.100 19.185 1.628 1.00 0.00 C ATOM 926 CG2 VAL A 63 -10.591 20.009 -0.194 1.00 0.00 C ATOM 0 H VAL A 63 -14.642 20.460 0.892 1.00 0.00 H new ATOM 0 HA VAL A 63 -12.792 20.648 -1.400 1.00 0.00 H new ATOM 0 HB VAL A 63 -11.908 21.204 0.980 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -11.264 19.247 2.325 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -13.031 19.383 2.159 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -12.136 18.186 1.193 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -9.776 20.059 0.528 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -10.587 19.033 -0.679 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -10.459 20.788 -0.945 1.00 0.00 H new ATOM 936 N ALA A 64 -12.708 18.122 -1.754 1.00 0.00 N ATOM 937 CA ALA A 64 -12.914 16.729 -2.134 1.00 0.00 C ATOM 938 C ALA A 64 -11.584 16.002 -2.299 1.00 0.00 C ATOM 939 O ALA A 64 -10.731 16.418 -3.083 1.00 0.00 O ATOM 940 CB ALA A 64 -13.725 16.649 -3.419 1.00 0.00 C ATOM 0 H ALA A 64 -11.997 18.608 -2.300 1.00 0.00 H new ATOM 0 HA ALA A 64 -13.469 16.238 -1.335 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -13.872 15.604 -3.692 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -14.694 17.124 -3.268 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -13.191 17.161 -4.219 1.00 0.00 H new ATOM 946 N PHE A 65 -11.413 14.915 -1.554 1.00 0.00 N ATOM 947 CA PHE A 65 -10.185 14.130 -1.617 1.00 0.00 C ATOM 948 C PHE A 65 -9.609 14.135 -3.030 1.00 0.00 C ATOM 949 O PHE A 65 -10.270 13.726 -3.985 1.00 0.00 O ATOM 950 CB PHE A 65 -10.451 12.692 -1.167 1.00 0.00 C ATOM 951 CG PHE A 65 -9.269 11.782 -1.343 1.00 0.00 C ATOM 952 CD1 PHE A 65 -8.249 11.761 -0.405 1.00 0.00 C ATOM 953 CD2 PHE A 65 -9.178 10.948 -2.444 1.00 0.00 C ATOM 954 CE1 PHE A 65 -7.161 10.925 -0.563 1.00 0.00 C ATOM 955 CE2 PHE A 65 -8.091 10.108 -2.609 1.00 0.00 C ATOM 956 CZ PHE A 65 -7.082 10.097 -1.666 1.00 0.00 C ATOM 0 H PHE A 65 -12.109 14.557 -0.900 1.00 0.00 H new ATOM 0 HA PHE A 65 -9.457 14.585 -0.945 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -10.743 12.696 -0.117 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -11.294 12.293 -1.731 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -8.306 12.406 0.460 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -9.965 10.953 -3.183 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -6.373 10.919 0.175 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -8.032 9.463 -3.473 1.00 0.00 H new ATOM 0 HZ PHE A 65 -6.232 9.442 -1.791 1.00 0.00 H new ATOM 966 N LYS A 66 -8.371 14.601 -3.156 1.00 0.00 N ATOM 967 CA LYS A 66 -7.703 14.659 -4.451 1.00 0.00 C ATOM 968 C LYS A 66 -6.229 15.018 -4.286 1.00 0.00 C ATOM 969 O LYS A 66 -5.803 15.464 -3.220 1.00 0.00 O ATOM 970 CB LYS A 66 -8.390 15.682 -5.358 1.00 0.00 C ATOM 971 CG LYS A 66 -8.277 17.112 -4.855 1.00 0.00 C ATOM 972 CD LYS A 66 -8.905 18.096 -5.829 1.00 0.00 C ATOM 973 CE LYS A 66 -10.396 18.260 -5.571 1.00 0.00 C ATOM 974 NZ LYS A 66 -10.891 19.592 -6.015 1.00 0.00 N ATOM 0 H LYS A 66 -7.810 14.944 -2.377 1.00 0.00 H new ATOM 0 HA LYS A 66 -7.770 13.673 -4.911 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -7.955 15.621 -6.356 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -9.444 15.421 -5.453 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -8.766 17.197 -3.884 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -7.227 17.365 -4.707 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -8.411 19.063 -5.740 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -8.747 17.750 -6.850 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -10.944 17.476 -6.094 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -10.597 18.134 -4.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -11.910 19.665 -5.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -10.386 20.340 -5.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -10.723 19.703 -7.035 1.00 0.00 H new ATOM 988 N HIS A 67 -5.456 14.824 -5.350 1.00 0.00 N ATOM 989 CA HIS A 67 -4.029 15.130 -5.324 1.00 0.00 C ATOM 990 C HIS A 67 -3.765 16.424 -4.559 1.00 0.00 C ATOM 991 O HIS A 67 -4.522 17.390 -4.648 1.00 0.00 O ATOM 992 CB HIS A 67 -3.485 15.245 -6.747 1.00 0.00 C ATOM 993 CG HIS A 67 -2.066 14.786 -6.886 1.00 0.00 C ATOM 994 ND1 HIS A 67 -0.996 15.653 -6.932 1.00 0.00 N ATOM 995 CD2 HIS A 67 -1.544 13.540 -6.984 1.00 0.00 C ATOM 996 CE1 HIS A 67 0.124 14.962 -7.056 1.00 0.00 C ATOM 997 NE2 HIS A 67 -0.182 13.677 -7.090 1.00 0.00 N ATOM 0 H HIS A 67 -5.793 14.457 -6.240 1.00 0.00 H new ATOM 0 HA HIS A 67 -3.517 14.315 -4.812 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -4.115 14.659 -7.416 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -3.556 16.283 -7.071 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -2.096 12.612 -6.980 1.00 0.00 H new ATOM 0 HE1 HIS A 67 1.119 15.377 -7.119 1.00 0.00 H new ATOM 0 HE2 HIS A 67 0.485 12.911 -7.180 1.00 0.00 H new ATOM 1005 N PRO A 68 -2.667 16.443 -3.789 1.00 0.00 N ATOM 1006 CA PRO A 68 -2.278 17.611 -2.995 1.00 0.00 C ATOM 1007 C PRO A 68 -1.809 18.773 -3.864 1.00 0.00 C ATOM 1008 O PRO A 68 -1.594 19.881 -3.371 1.00 0.00 O ATOM 1009 CB PRO A 68 -1.126 17.088 -2.134 1.00 0.00 C ATOM 1010 CG PRO A 68 -0.559 15.949 -2.912 1.00 0.00 C ATOM 1011 CD PRO A 68 -1.720 15.325 -3.636 1.00 0.00 C ATOM 0 HA PRO A 68 -3.113 18.007 -2.418 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -0.378 17.861 -1.962 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -1.479 16.762 -1.155 1.00 0.00 H new ATOM 0 HG2 PRO A 68 0.199 16.295 -3.615 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -0.077 15.227 -2.253 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -1.420 14.918 -4.601 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -2.155 14.505 -3.065 1.00 0.00 H new ATOM 1019 N GLU A 69 -1.653 18.514 -5.157 1.00 0.00 N ATOM 1020 CA GLU A 69 -1.208 19.539 -6.094 1.00 0.00 C ATOM 1021 C GLU A 69 -2.395 20.327 -6.642 1.00 0.00 C ATOM 1022 O GLU A 69 -2.239 21.444 -7.132 1.00 0.00 O ATOM 1023 CB GLU A 69 -0.428 18.904 -7.248 1.00 0.00 C ATOM 1024 CG GLU A 69 -1.314 18.367 -8.358 1.00 0.00 C ATOM 1025 CD GLU A 69 -1.713 19.438 -9.355 1.00 0.00 C ATOM 1026 OE1 GLU A 69 -0.860 19.825 -10.182 1.00 0.00 O ATOM 1027 OE2 GLU A 69 -2.877 19.887 -9.311 1.00 0.00 O ATOM 0 H GLU A 69 -1.828 17.603 -5.581 1.00 0.00 H new ATOM 0 HA GLU A 69 -0.554 20.226 -5.557 1.00 0.00 H new ATOM 0 HB2 GLU A 69 0.254 19.645 -7.665 1.00 0.00 H new ATOM 0 HB3 GLU A 69 0.184 18.091 -6.858 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -0.791 17.566 -8.880 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -2.212 17.929 -7.922 1.00 0.00 H new ATOM 1034 N ASN A 70 -3.582 19.735 -6.552 1.00 0.00 N ATOM 1035 CA ASN A 70 -4.795 20.381 -7.039 1.00 0.00 C ATOM 1036 C ASN A 70 -5.335 21.371 -6.012 1.00 0.00 C ATOM 1037 O ASN A 70 -6.173 22.216 -6.328 1.00 0.00 O ATOM 1038 CB ASN A 70 -5.861 19.331 -7.362 1.00 0.00 C ATOM 1039 CG ASN A 70 -5.745 18.807 -8.780 1.00 0.00 C ATOM 1040 OD1 ASN A 70 -5.796 19.572 -9.743 1.00 0.00 O ATOM 1041 ND2 ASN A 70 -5.590 17.495 -8.914 1.00 0.00 N ATOM 0 H ASN A 70 -3.729 18.811 -6.147 1.00 0.00 H new ATOM 0 HA ASN A 70 -4.546 20.929 -7.948 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -5.772 18.500 -6.662 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -6.850 19.765 -7.218 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -5.508 17.083 -9.844 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -5.553 16.899 -8.087 1.00 0.00 H new ATOM 1048 N TYR A 71 -4.849 21.260 -4.781 1.00 0.00 N ATOM 1049 CA TYR A 71 -5.283 22.144 -3.705 1.00 0.00 C ATOM 1050 C TYR A 71 -4.499 23.452 -3.724 1.00 0.00 C ATOM 1051 O TYR A 71 -3.269 23.452 -3.654 1.00 0.00 O ATOM 1052 CB TYR A 71 -5.115 21.454 -2.350 1.00 0.00 C ATOM 1053 CG TYR A 71 -5.993 20.236 -2.177 1.00 0.00 C ATOM 1054 CD1 TYR A 71 -7.332 20.263 -2.544 1.00 0.00 C ATOM 1055 CD2 TYR A 71 -5.483 19.057 -1.648 1.00 0.00 C ATOM 1056 CE1 TYR A 71 -8.139 19.152 -2.387 1.00 0.00 C ATOM 1057 CE2 TYR A 71 -6.280 17.941 -1.489 1.00 0.00 C ATOM 1058 CZ TYR A 71 -7.608 17.993 -1.859 1.00 0.00 C ATOM 1059 OH TYR A 71 -8.408 16.885 -1.703 1.00 0.00 O ATOM 0 H TYR A 71 -4.154 20.567 -4.503 1.00 0.00 H new ATOM 0 HA TYR A 71 -6.337 22.372 -3.860 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -4.072 21.160 -2.228 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -5.339 22.168 -1.558 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -7.750 21.168 -2.959 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -4.444 19.013 -1.356 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -9.179 19.191 -2.676 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -5.866 17.032 -1.077 1.00 0.00 H new ATOM 0 HH TYR A 71 -9.319 17.095 -1.998 1.00 0.00 H new ATOM 1069 N ASP A 72 -5.218 24.565 -3.819 1.00 0.00 N ATOM 1070 CA ASP A 72 -4.590 25.881 -3.846 1.00 0.00 C ATOM 1071 C ASP A 72 -3.606 26.037 -2.690 1.00 0.00 C ATOM 1072 O ASP A 72 -3.829 25.516 -1.597 1.00 0.00 O ATOM 1073 CB ASP A 72 -5.654 26.978 -3.778 1.00 0.00 C ATOM 1074 CG ASP A 72 -6.914 26.610 -4.537 1.00 0.00 C ATOM 1075 OD1 ASP A 72 -6.881 26.628 -5.786 1.00 0.00 O ATOM 1076 OD2 ASP A 72 -7.932 26.305 -3.883 1.00 0.00 O ATOM 0 H ASP A 72 -6.236 24.582 -3.879 1.00 0.00 H new ATOM 0 HA ASP A 72 -4.041 25.976 -4.783 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -5.905 27.172 -2.735 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -5.245 27.903 -4.185 1.00 0.00 H new ATOM 1081 N LEU A 73 -2.517 26.756 -2.941 1.00 0.00 N ATOM 1082 CA LEU A 73 -1.499 26.981 -1.921 1.00 0.00 C ATOM 1083 C LEU A 73 -2.134 27.184 -0.550 1.00 0.00 C ATOM 1084 O LEU A 73 -1.731 26.560 0.431 1.00 0.00 O ATOM 1085 CB LEU A 73 -0.644 28.197 -2.286 1.00 0.00 C ATOM 1086 CG LEU A 73 0.448 28.573 -1.285 1.00 0.00 C ATOM 1087 CD1 LEU A 73 1.124 27.326 -0.736 1.00 0.00 C ATOM 1088 CD2 LEU A 73 1.472 29.494 -1.933 1.00 0.00 C ATOM 0 H LEU A 73 -2.317 27.192 -3.841 1.00 0.00 H new ATOM 0 HA LEU A 73 -0.863 26.097 -1.877 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -0.175 28.010 -3.252 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -1.304 29.055 -2.413 1.00 0.00 H new ATOM 0 HG LEU A 73 -0.017 29.105 -0.455 1.00 0.00 H new ATOM 0 HD11 LEU A 73 1.898 27.615 -0.025 1.00 0.00 H new ATOM 0 HD12 LEU A 73 0.384 26.703 -0.234 1.00 0.00 H new ATOM 0 HD13 LEU A 73 1.574 26.766 -1.555 1.00 0.00 H new ATOM 0 HD21 LEU A 73 2.242 29.751 -1.205 1.00 0.00 H new ATOM 0 HD22 LEU A 73 1.930 28.988 -2.783 1.00 0.00 H new ATOM 0 HD23 LEU A 73 0.978 30.403 -2.276 1.00 0.00 H new ATOM 1100 N ALA A 74 -3.132 28.060 -0.490 1.00 0.00 N ATOM 1101 CA ALA A 74 -3.827 28.342 0.760 1.00 0.00 C ATOM 1102 C ALA A 74 -4.399 27.067 1.370 1.00 0.00 C ATOM 1103 O ALA A 74 -4.216 26.798 2.558 1.00 0.00 O ATOM 1104 CB ALA A 74 -4.933 29.361 0.530 1.00 0.00 C ATOM 0 H ALA A 74 -3.477 28.586 -1.293 1.00 0.00 H new ATOM 0 HA ALA A 74 -3.105 28.758 1.463 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -5.444 29.562 1.472 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -4.502 30.286 0.146 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -5.647 28.966 -0.193 1.00 0.00 H new ATOM 1110 N THR A 75 -5.093 26.283 0.550 1.00 0.00 N ATOM 1111 CA THR A 75 -5.692 25.037 1.009 1.00 0.00 C ATOM 1112 C THR A 75 -4.630 24.074 1.529 1.00 0.00 C ATOM 1113 O THR A 75 -4.773 23.500 2.609 1.00 0.00 O ATOM 1114 CB THR A 75 -6.486 24.348 -0.116 1.00 0.00 C ATOM 1115 OG1 THR A 75 -7.415 25.271 -0.697 1.00 0.00 O ATOM 1116 CG2 THR A 75 -7.235 23.134 0.415 1.00 0.00 C ATOM 0 H THR A 75 -5.254 26.490 -0.436 1.00 0.00 H new ATOM 0 HA THR A 75 -6.373 25.294 1.820 1.00 0.00 H new ATOM 0 HB THR A 75 -5.780 24.016 -0.877 1.00 0.00 H new ATOM 0 HG1 THR A 75 -7.915 24.825 -1.413 1.00 0.00 H new ATOM 0 HG21 THR A 75 -7.789 22.664 -0.398 1.00 0.00 H new ATOM 0 HG22 THR A 75 -6.523 22.420 0.830 1.00 0.00 H new ATOM 0 HG23 THR A 75 -7.930 23.447 1.194 1.00 0.00 H new ATOM 1124 N LEU A 76 -3.565 23.901 0.754 1.00 0.00 N ATOM 1125 CA LEU A 76 -2.477 23.008 1.137 1.00 0.00 C ATOM 1126 C LEU A 76 -2.044 23.263 2.577 1.00 0.00 C ATOM 1127 O LEU A 76 -2.018 22.347 3.400 1.00 0.00 O ATOM 1128 CB LEU A 76 -1.286 23.190 0.195 1.00 0.00 C ATOM 1129 CG LEU A 76 -1.370 22.455 -1.144 1.00 0.00 C ATOM 1130 CD1 LEU A 76 -0.226 22.872 -2.055 1.00 0.00 C ATOM 1131 CD2 LEU A 76 -1.361 20.949 -0.927 1.00 0.00 C ATOM 0 H LEU A 76 -3.432 24.367 -0.143 1.00 0.00 H new ATOM 0 HA LEU A 76 -2.839 21.982 1.062 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -1.166 24.255 -0.005 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -0.385 22.859 0.712 1.00 0.00 H new ATOM 0 HG LEU A 76 -2.308 22.726 -1.627 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -0.303 22.339 -3.003 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -0.279 23.945 -2.237 1.00 0.00 H new ATOM 0 HD13 LEU A 76 0.725 22.631 -1.579 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -1.421 20.442 -1.890 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -0.439 20.660 -0.422 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -2.216 20.665 -0.313 1.00 0.00 H new ATOM 1143 N LYS A 77 -1.708 24.513 2.876 1.00 0.00 N ATOM 1144 CA LYS A 77 -1.279 24.891 4.218 1.00 0.00 C ATOM 1145 C LYS A 77 -2.243 24.349 5.269 1.00 0.00 C ATOM 1146 O LYS A 77 -1.820 23.832 6.304 1.00 0.00 O ATOM 1147 CB LYS A 77 -1.184 26.414 4.335 1.00 0.00 C ATOM 1148 CG LYS A 77 -0.197 27.037 3.364 1.00 0.00 C ATOM 1149 CD LYS A 77 -0.298 28.554 3.363 1.00 0.00 C ATOM 1150 CE LYS A 77 0.980 29.198 2.848 1.00 0.00 C ATOM 1151 NZ LYS A 77 1.074 30.633 3.234 1.00 0.00 N ATOM 0 H LYS A 77 -1.724 25.283 2.207 1.00 0.00 H new ATOM 0 HA LYS A 77 -0.295 24.457 4.394 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -2.170 26.845 4.165 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -0.894 26.675 5.353 1.00 0.00 H new ATOM 0 HG2 LYS A 77 0.816 26.739 3.633 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -0.385 26.658 2.359 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -1.138 28.863 2.741 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -0.502 28.907 4.374 1.00 0.00 H new ATOM 0 HE2 LYS A 77 1.842 28.659 3.241 1.00 0.00 H new ATOM 0 HE3 LYS A 77 1.018 29.111 1.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 1.959 31.035 2.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 0.265 31.153 2.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 1.064 30.715 4.271 1.00 0.00 H new ATOM 1165 N TRP A 78 -3.537 24.470 4.997 1.00 0.00 N ATOM 1166 CA TRP A 78 -4.560 23.991 5.919 1.00 0.00 C ATOM 1167 C TRP A 78 -4.374 22.506 6.216 1.00 0.00 C ATOM 1168 O TRP A 78 -4.227 22.108 7.372 1.00 0.00 O ATOM 1169 CB TRP A 78 -5.955 24.236 5.341 1.00 0.00 C ATOM 1170 CG TRP A 78 -7.057 23.997 6.326 1.00 0.00 C ATOM 1171 CD1 TRP A 78 -7.678 24.932 7.104 1.00 0.00 C ATOM 1172 CD2 TRP A 78 -7.668 22.741 6.641 1.00 0.00 C ATOM 1173 NE1 TRP A 78 -8.639 24.333 7.884 1.00 0.00 N ATOM 1174 CE2 TRP A 78 -8.653 22.989 7.617 1.00 0.00 C ATOM 1175 CE3 TRP A 78 -7.482 21.431 6.191 1.00 0.00 C ATOM 1176 CZ2 TRP A 78 -9.444 21.975 8.150 1.00 0.00 C ATOM 1177 CZ3 TRP A 78 -8.267 20.426 6.721 1.00 0.00 C ATOM 1178 CH2 TRP A 78 -9.239 20.702 7.692 1.00 0.00 C ATOM 0 H TRP A 78 -3.903 24.896 4.145 1.00 0.00 H new ATOM 0 HA TRP A 78 -4.459 24.545 6.852 1.00 0.00 H new ATOM 0 HB2 TRP A 78 -6.016 25.263 4.981 1.00 0.00 H new ATOM 0 HB3 TRP A 78 -6.102 23.587 4.478 1.00 0.00 H new ATOM 0 HD1 TRP A 78 -7.448 25.987 7.106 1.00 0.00 H new ATOM 0 HE1 TRP A 78 -9.243 24.811 8.552 1.00 0.00 H new ATOM 0 HE3 TRP A 78 -6.737 21.208 5.441 1.00 0.00 H new ATOM 0 HZ2 TRP A 78 -10.193 22.186 8.899 1.00 0.00 H new ATOM 0 HZ3 TRP A 78 -8.129 19.410 6.381 1.00 0.00 H new ATOM 0 HH2 TRP A 78 -9.838 19.894 8.086 1.00 0.00 H new ATOM 1189 N ILE A 79 -4.379 21.692 5.166 1.00 0.00 N ATOM 1190 CA ILE A 79 -4.209 20.253 5.314 1.00 0.00 C ATOM 1191 C ILE A 79 -3.085 19.931 6.293 1.00 0.00 C ATOM 1192 O ILE A 79 -3.273 19.167 7.242 1.00 0.00 O ATOM 1193 CB ILE A 79 -3.906 19.579 3.963 1.00 0.00 C ATOM 1194 CG1 ILE A 79 -5.057 19.814 2.982 1.00 0.00 C ATOM 1195 CG2 ILE A 79 -3.663 18.089 4.156 1.00 0.00 C ATOM 1196 CD1 ILE A 79 -4.761 19.337 1.578 1.00 0.00 C ATOM 0 H ILE A 79 -4.499 22.005 4.203 1.00 0.00 H new ATOM 0 HA ILE A 79 -5.150 19.863 5.702 1.00 0.00 H new ATOM 0 HB ILE A 79 -3.002 20.023 3.547 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -5.947 19.304 3.350 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -5.288 20.879 2.954 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -3.450 17.627 3.192 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -2.814 17.942 4.824 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -4.550 17.629 4.591 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -5.620 19.536 0.938 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -3.890 19.865 1.190 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -4.559 18.266 1.593 1.00 0.00 H new ATOM 1208 N LEU A 80 -1.917 20.517 6.059 1.00 0.00 N ATOM 1209 CA LEU A 80 -0.761 20.294 6.921 1.00 0.00 C ATOM 1210 C LEU A 80 -1.053 20.745 8.349 1.00 0.00 C ATOM 1211 O LEU A 80 -0.601 20.122 9.310 1.00 0.00 O ATOM 1212 CB LEU A 80 0.457 21.043 6.377 1.00 0.00 C ATOM 1213 CG LEU A 80 1.232 20.341 5.261 1.00 0.00 C ATOM 1214 CD1 LEU A 80 2.254 21.285 4.647 1.00 0.00 C ATOM 1215 CD2 LEU A 80 1.913 19.086 5.792 1.00 0.00 C ATOM 0 H LEU A 80 -1.744 21.151 5.279 1.00 0.00 H new ATOM 0 HA LEU A 80 -0.547 19.225 6.933 1.00 0.00 H new ATOM 0 HB2 LEU A 80 0.127 22.014 6.008 1.00 0.00 H new ATOM 0 HB3 LEU A 80 1.141 21.233 7.204 1.00 0.00 H new ATOM 0 HG LEU A 80 0.527 20.046 4.484 1.00 0.00 H new ATOM 0 HD11 LEU A 80 2.796 20.769 3.855 1.00 0.00 H new ATOM 0 HD12 LEU A 80 1.743 22.153 4.231 1.00 0.00 H new ATOM 0 HD13 LEU A 80 2.956 21.610 5.415 1.00 0.00 H new ATOM 0 HD21 LEU A 80 2.460 18.599 4.984 1.00 0.00 H new ATOM 0 HD22 LEU A 80 2.607 19.357 6.588 1.00 0.00 H new ATOM 0 HD23 LEU A 80 1.160 18.402 6.184 1.00 0.00 H new ATOM 1227 N GLU A 81 -1.813 21.828 8.479 1.00 0.00 N ATOM 1228 CA GLU A 81 -2.166 22.359 9.790 1.00 0.00 C ATOM 1229 C GLU A 81 -3.020 21.363 10.570 1.00 0.00 C ATOM 1230 O GLU A 81 -2.705 21.014 11.706 1.00 0.00 O ATOM 1231 CB GLU A 81 -2.915 23.685 9.643 1.00 0.00 C ATOM 1232 CG GLU A 81 -2.015 24.906 9.735 1.00 0.00 C ATOM 1233 CD GLU A 81 -2.797 26.201 9.834 1.00 0.00 C ATOM 1234 OE1 GLU A 81 -3.369 26.628 8.809 1.00 0.00 O ATOM 1235 OE2 GLU A 81 -2.837 26.788 10.935 1.00 0.00 O ATOM 0 H GLU A 81 -2.196 22.354 7.693 1.00 0.00 H new ATOM 0 HA GLU A 81 -1.243 22.531 10.344 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -3.432 23.696 8.683 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -3.680 23.748 10.417 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -1.367 24.810 10.606 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -1.368 24.943 8.859 1.00 0.00 H new ATOM 1242 N ASN A 82 -4.105 20.911 9.948 1.00 0.00 N ATOM 1243 CA ASN A 82 -5.007 19.956 10.583 1.00 0.00 C ATOM 1244 C ASN A 82 -4.762 18.545 10.057 1.00 0.00 C ATOM 1245 O ASN A 82 -5.695 17.753 9.913 1.00 0.00 O ATOM 1246 CB ASN A 82 -6.462 20.358 10.339 1.00 0.00 C ATOM 1247 CG ASN A 82 -6.801 21.703 10.950 1.00 0.00 C ATOM 1248 OD1 ASN A 82 -7.693 21.808 11.794 1.00 0.00 O ATOM 1249 ND2 ASN A 82 -6.090 22.742 10.528 1.00 0.00 N ATOM 0 H ASN A 82 -4.381 21.190 9.006 1.00 0.00 H new ATOM 0 HA ASN A 82 -4.810 19.964 11.655 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -6.652 20.391 9.266 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -7.121 19.596 10.756 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -6.273 23.672 10.904 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -5.360 22.610 9.827 1.00 0.00 H new ATOM 1256 N LYS A 83 -3.502 18.235 9.773 1.00 0.00 N ATOM 1257 CA LYS A 83 -3.132 16.919 9.265 1.00 0.00 C ATOM 1258 C LYS A 83 -3.154 15.880 10.381 1.00 0.00 C ATOM 1259 O LYS A 83 -3.745 14.810 10.233 1.00 0.00 O ATOM 1260 CB LYS A 83 -1.741 16.969 8.627 1.00 0.00 C ATOM 1261 CG LYS A 83 -0.614 17.103 9.636 1.00 0.00 C ATOM 1262 CD LYS A 83 0.719 17.352 8.952 1.00 0.00 C ATOM 1263 CE LYS A 83 1.855 17.437 9.959 1.00 0.00 C ATOM 1264 NZ LYS A 83 3.101 17.976 9.346 1.00 0.00 N ATOM 0 H LYS A 83 -2.718 18.878 9.886 1.00 0.00 H new ATOM 0 HA LYS A 83 -3.862 16.630 8.509 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -1.587 16.063 8.041 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -1.698 17.809 7.934 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -0.832 17.923 10.320 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -0.552 16.195 10.237 1.00 0.00 H new ATOM 0 HD2 LYS A 83 0.920 16.550 8.242 1.00 0.00 H new ATOM 0 HD3 LYS A 83 0.668 18.279 8.380 1.00 0.00 H new ATOM 0 HE2 LYS A 83 1.555 18.073 10.792 1.00 0.00 H new ATOM 0 HE3 LYS A 83 2.051 16.446 10.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 3.851 18.018 10.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 3.402 17.355 8.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 2.921 18.932 8.977 1.00 0.00 H new ATOM 1278 N ALA A 84 -2.510 16.202 11.498 1.00 0.00 N ATOM 1279 CA ALA A 84 -2.459 15.297 12.639 1.00 0.00 C ATOM 1280 C ALA A 84 -3.809 14.623 12.866 1.00 0.00 C ATOM 1281 O ALA A 84 -3.876 13.492 13.343 1.00 0.00 O ATOM 1282 CB ALA A 84 -2.025 16.049 13.889 1.00 0.00 C ATOM 0 H ALA A 84 -2.016 17.084 11.637 1.00 0.00 H new ATOM 0 HA ALA A 84 -1.726 14.519 12.423 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -1.991 15.361 14.734 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -1.036 16.478 13.730 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -2.737 16.847 14.099 1.00 0.00 H new ATOM 1288 N GLY A 85 -4.883 15.328 12.520 1.00 0.00 N ATOM 1289 CA GLY A 85 -6.215 14.782 12.695 1.00 0.00 C ATOM 1290 C GLY A 85 -6.629 13.884 11.546 1.00 0.00 C ATOM 1291 O GLY A 85 -7.230 12.831 11.759 1.00 0.00 O ATOM 0 H GLY A 85 -4.853 16.267 12.122 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -6.253 14.216 13.626 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -6.930 15.599 12.789 1.00 0.00 H new ATOM 1295 N ILE A 86 -6.307 14.301 10.326 1.00 0.00 N ATOM 1296 CA ILE A 86 -6.650 13.525 9.140 1.00 0.00 C ATOM 1297 C ILE A 86 -6.438 12.035 9.377 1.00 0.00 C ATOM 1298 O ILE A 86 -5.348 11.604 9.753 1.00 0.00 O ATOM 1299 CB ILE A 86 -5.816 13.964 7.921 1.00 0.00 C ATOM 1300 CG1 ILE A 86 -6.396 15.241 7.312 1.00 0.00 C ATOM 1301 CG2 ILE A 86 -5.768 12.851 6.885 1.00 0.00 C ATOM 1302 CD1 ILE A 86 -5.540 15.828 6.211 1.00 0.00 C ATOM 0 H ILE A 86 -5.810 15.170 10.133 1.00 0.00 H new ATOM 0 HA ILE A 86 -7.704 13.710 8.935 1.00 0.00 H new ATOM 0 HB ILE A 86 -4.798 14.172 8.251 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -7.388 15.026 6.915 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -6.522 15.985 8.099 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -5.175 13.175 6.030 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -5.314 11.963 7.325 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -6.780 12.616 6.557 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -6.012 16.731 5.825 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -4.555 16.074 6.608 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -5.435 15.101 5.405 1.00 0.00 H new ATOM 1314 N SER A 87 -7.488 11.250 9.155 1.00 0.00 N ATOM 1315 CA SER A 87 -7.419 9.806 9.346 1.00 0.00 C ATOM 1316 C SER A 87 -7.760 9.070 8.054 1.00 0.00 C ATOM 1317 O SER A 87 -8.217 9.675 7.084 1.00 0.00 O ATOM 1318 CB SER A 87 -8.371 9.372 10.462 1.00 0.00 C ATOM 1319 OG SER A 87 -7.763 9.509 11.733 1.00 0.00 O ATOM 0 H SER A 87 -8.397 11.590 8.842 1.00 0.00 H new ATOM 0 HA SER A 87 -6.398 9.550 9.630 1.00 0.00 H new ATOM 0 HB2 SER A 87 -9.279 9.973 10.423 1.00 0.00 H new ATOM 0 HB3 SER A 87 -8.668 8.335 10.308 1.00 0.00 H new ATOM 0 HG SER A 87 -8.393 9.227 12.429 1.00 0.00 H new ATOM 1325 N PHE A 88 -7.535 7.760 8.050 1.00 0.00 N ATOM 1326 CA PHE A 88 -7.818 6.940 6.878 1.00 0.00 C ATOM 1327 C PHE A 88 -8.593 5.685 7.267 1.00 0.00 C ATOM 1328 O PHE A 88 -8.085 4.828 7.991 1.00 0.00 O ATOM 1329 CB PHE A 88 -6.516 6.552 6.175 1.00 0.00 C ATOM 1330 CG PHE A 88 -6.099 7.521 5.106 1.00 0.00 C ATOM 1331 CD1 PHE A 88 -5.846 8.848 5.415 1.00 0.00 C ATOM 1332 CD2 PHE A 88 -5.961 7.105 3.791 1.00 0.00 C ATOM 1333 CE1 PHE A 88 -5.462 9.742 4.434 1.00 0.00 C ATOM 1334 CE2 PHE A 88 -5.577 7.995 2.806 1.00 0.00 C ATOM 1335 CZ PHE A 88 -5.329 9.314 3.127 1.00 0.00 C ATOM 0 H PHE A 88 -7.158 7.244 8.845 1.00 0.00 H new ATOM 0 HA PHE A 88 -8.431 7.527 6.194 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -5.721 6.477 6.917 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -6.633 5.563 5.732 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -5.950 9.187 6.435 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -6.156 6.074 3.533 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -5.266 10.773 4.688 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -5.471 7.658 1.785 1.00 0.00 H new ATOM 0 HZ PHE A 88 -5.031 10.011 2.358 1.00 0.00 H new ATOM 1345 N ILE A 89 -9.826 5.583 6.781 1.00 0.00 N ATOM 1346 CA ILE A 89 -10.671 4.434 7.078 1.00 0.00 C ATOM 1347 C ILE A 89 -10.690 3.451 5.912 1.00 0.00 C ATOM 1348 O ILE A 89 -11.488 3.587 4.985 1.00 0.00 O ATOM 1349 CB ILE A 89 -12.115 4.864 7.395 1.00 0.00 C ATOM 1350 CG1 ILE A 89 -12.122 5.949 8.473 1.00 0.00 C ATOM 1351 CG2 ILE A 89 -12.940 3.664 7.838 1.00 0.00 C ATOM 1352 CD1 ILE A 89 -13.223 6.970 8.296 1.00 0.00 C ATOM 0 H ILE A 89 -10.261 6.283 6.180 1.00 0.00 H new ATOM 0 HA ILE A 89 -10.245 3.947 7.955 1.00 0.00 H new ATOM 0 HB ILE A 89 -12.563 5.274 6.490 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -12.228 5.478 9.450 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -11.159 6.460 8.469 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -13.958 3.984 8.059 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -12.958 2.921 7.041 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -12.495 3.227 8.732 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -13.167 7.708 9.096 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -13.106 7.468 7.334 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -14.191 6.471 8.331 1.00 0.00 H new ATOM 1364 N ILE A 90 -9.806 2.460 5.967 1.00 0.00 N ATOM 1365 CA ILE A 90 -9.723 1.452 4.917 1.00 0.00 C ATOM 1366 C ILE A 90 -10.918 0.505 4.968 1.00 0.00 C ATOM 1367 O ILE A 90 -11.071 -0.268 5.913 1.00 0.00 O ATOM 1368 CB ILE A 90 -8.426 0.629 5.028 1.00 0.00 C ATOM 1369 CG1 ILE A 90 -7.451 1.022 3.915 1.00 0.00 C ATOM 1370 CG2 ILE A 90 -8.736 -0.859 4.967 1.00 0.00 C ATOM 1371 CD1 ILE A 90 -6.547 2.177 4.284 1.00 0.00 C ATOM 0 H ILE A 90 -9.138 2.334 6.727 1.00 0.00 H new ATOM 0 HA ILE A 90 -9.725 1.986 3.967 1.00 0.00 H new ATOM 0 HB ILE A 90 -7.958 0.843 5.989 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -6.837 0.158 3.659 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -8.018 1.286 3.022 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -7.809 -1.427 5.047 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -9.398 -1.127 5.791 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -9.223 -1.091 4.020 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -5.883 2.401 3.449 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -7.152 3.054 4.512 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -5.953 1.909 5.158 1.00 0.00 H new ATOM 1383 N LYS A 91 -11.762 0.571 3.943 1.00 0.00 N ATOM 1384 CA LYS A 91 -12.942 -0.281 3.868 1.00 0.00 C ATOM 1385 C LYS A 91 -12.611 -1.612 3.199 1.00 0.00 C ATOM 1386 O LYS A 91 -13.199 -2.643 3.522 1.00 0.00 O ATOM 1387 CB LYS A 91 -14.059 0.425 3.097 1.00 0.00 C ATOM 1388 CG LYS A 91 -14.337 1.836 3.587 1.00 0.00 C ATOM 1389 CD LYS A 91 -15.454 1.859 4.616 1.00 0.00 C ATOM 1390 CE LYS A 91 -16.049 3.251 4.763 1.00 0.00 C ATOM 1391 NZ LYS A 91 -17.449 3.206 5.269 1.00 0.00 N ATOM 0 H LYS A 91 -11.650 1.206 3.153 1.00 0.00 H new ATOM 0 HA LYS A 91 -13.280 -0.479 4.885 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -13.793 0.462 2.041 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -14.972 -0.165 3.175 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -13.431 2.256 4.023 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -14.607 2.469 2.742 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -16.235 1.158 4.322 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -15.070 1.523 5.579 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -15.435 3.838 5.446 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -16.028 3.759 3.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -17.818 4.174 5.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -18.041 2.668 4.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -17.467 2.745 6.201 1.00 0.00 H new ATOM 1405 N ARG A 92 -11.666 -1.580 2.265 1.00 0.00 N ATOM 1406 CA ARG A 92 -11.256 -2.783 1.551 1.00 0.00 C ATOM 1407 C ARG A 92 -10.151 -2.469 0.545 1.00 0.00 C ATOM 1408 O ARG A 92 -10.194 -1.466 -0.167 1.00 0.00 O ATOM 1409 CB ARG A 92 -12.453 -3.406 0.831 1.00 0.00 C ATOM 1410 CG ARG A 92 -12.076 -4.178 -0.423 1.00 0.00 C ATOM 1411 CD ARG A 92 -11.806 -3.244 -1.591 1.00 0.00 C ATOM 1412 NE ARG A 92 -12.219 -3.827 -2.865 1.00 0.00 N ATOM 1413 CZ ARG A 92 -12.436 -3.113 -3.965 1.00 0.00 C ATOM 1414 NH1 ARG A 92 -12.279 -1.798 -3.945 1.00 0.00 N ATOM 1415 NH2 ARG A 92 -12.809 -3.717 -5.085 1.00 0.00 N ATOM 0 H ARG A 92 -11.170 -0.734 1.985 1.00 0.00 H new ATOM 0 HA ARG A 92 -10.868 -3.494 2.280 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -12.971 -4.076 1.518 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -13.156 -2.617 0.564 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -11.191 -4.783 -0.227 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -12.880 -4.866 -0.684 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -12.336 -2.304 -1.434 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -10.742 -3.008 -1.628 1.00 0.00 H new ATOM 0 HE ARG A 92 -12.348 -4.838 -2.913 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -11.991 -1.332 -3.085 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -12.446 -1.252 -4.790 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -12.929 -4.730 -5.103 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -12.975 -3.169 -5.929 1.00 0.00 H new ATOM 1429 N PRO A 93 -9.139 -3.346 0.486 1.00 0.00 N ATOM 1430 CA PRO A 93 -8.004 -3.184 -0.428 1.00 0.00 C ATOM 1431 C PRO A 93 -8.399 -3.394 -1.885 1.00 0.00 C ATOM 1432 O PRO A 93 -9.096 -4.353 -2.219 1.00 0.00 O ATOM 1433 CB PRO A 93 -7.027 -4.274 0.023 1.00 0.00 C ATOM 1434 CG PRO A 93 -7.885 -5.308 0.666 1.00 0.00 C ATOM 1435 CD PRO A 93 -9.022 -4.564 1.307 1.00 0.00 C ATOM 0 HA PRO A 93 -7.589 -2.177 -0.388 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -6.476 -4.686 -0.822 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -6.290 -3.880 0.723 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -8.253 -6.023 -0.070 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -7.323 -5.875 1.408 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -9.942 -5.148 1.293 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -8.810 -4.327 2.350 1.00 0.00 H new ATOM 1443 N PHE A 94 -7.952 -2.490 -2.751 1.00 0.00 N ATOM 1444 CA PHE A 94 -8.259 -2.576 -4.173 1.00 0.00 C ATOM 1445 C PHE A 94 -7.921 -3.959 -4.721 1.00 0.00 C ATOM 1446 O PHE A 94 -7.536 -4.858 -3.973 1.00 0.00 O ATOM 1447 CB PHE A 94 -7.489 -1.505 -4.949 1.00 0.00 C ATOM 1448 CG PHE A 94 -7.821 -0.102 -4.527 1.00 0.00 C ATOM 1449 CD1 PHE A 94 -7.238 0.452 -3.400 1.00 0.00 C ATOM 1450 CD2 PHE A 94 -8.718 0.660 -5.257 1.00 0.00 C ATOM 1451 CE1 PHE A 94 -7.542 1.743 -3.008 1.00 0.00 C ATOM 1452 CE2 PHE A 94 -9.024 1.951 -4.872 1.00 0.00 C ATOM 1453 CZ PHE A 94 -8.437 2.493 -3.746 1.00 0.00 C ATOM 0 H PHE A 94 -7.376 -1.689 -2.492 1.00 0.00 H new ATOM 0 HA PHE A 94 -9.329 -2.407 -4.298 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -6.420 -1.672 -4.818 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -7.701 -1.616 -6.012 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -6.538 -0.131 -2.820 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -9.183 0.240 -6.137 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -7.081 2.164 -2.127 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -9.722 2.536 -5.452 1.00 0.00 H new ATOM 0 HZ PHE A 94 -8.677 3.501 -3.443 1.00 0.00 H new ATOM 1463 N LEU A 95 -8.069 -4.123 -6.031 1.00 0.00 N ATOM 1464 CA LEU A 95 -7.779 -5.396 -6.680 1.00 0.00 C ATOM 1465 C LEU A 95 -6.346 -5.430 -7.198 1.00 0.00 C ATOM 1466 O LEU A 95 -5.987 -6.289 -8.004 1.00 0.00 O ATOM 1467 CB LEU A 95 -8.756 -5.636 -7.834 1.00 0.00 C ATOM 1468 CG LEU A 95 -9.312 -4.385 -8.513 1.00 0.00 C ATOM 1469 CD1 LEU A 95 -9.900 -4.732 -9.873 1.00 0.00 C ATOM 1470 CD2 LEU A 95 -10.359 -3.720 -7.632 1.00 0.00 C ATOM 0 H LEU A 95 -8.388 -3.390 -6.664 1.00 0.00 H new ATOM 0 HA LEU A 95 -7.897 -6.188 -5.940 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -8.254 -6.242 -8.588 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -9.593 -6.224 -7.458 1.00 0.00 H new ATOM 0 HG LEU A 95 -8.492 -3.682 -8.663 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -10.291 -3.829 -10.341 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -9.124 -5.162 -10.506 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -10.707 -5.454 -9.747 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -10.744 -2.831 -8.132 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -11.177 -4.417 -7.450 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -9.907 -3.435 -6.682 1.00 0.00 H new ATOM 1482 N GLU A 96 -5.529 -4.493 -6.727 1.00 0.00 N ATOM 1483 CA GLU A 96 -4.133 -4.417 -7.142 1.00 0.00 C ATOM 1484 C GLU A 96 -3.273 -5.383 -6.332 1.00 0.00 C ATOM 1485 O GLU A 96 -3.123 -5.253 -5.117 1.00 0.00 O ATOM 1486 CB GLU A 96 -3.606 -2.990 -6.981 1.00 0.00 C ATOM 1487 CG GLU A 96 -2.453 -2.658 -7.913 1.00 0.00 C ATOM 1488 CD GLU A 96 -1.897 -1.266 -7.682 1.00 0.00 C ATOM 1489 OE1 GLU A 96 -1.674 -0.904 -6.508 1.00 0.00 O ATOM 1490 OE2 GLU A 96 -1.687 -0.539 -8.676 1.00 0.00 O ATOM 0 H GLU A 96 -5.810 -3.776 -6.058 1.00 0.00 H new ATOM 0 HA GLU A 96 -4.077 -4.700 -8.193 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -4.421 -2.288 -7.160 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -3.282 -2.845 -5.950 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -1.657 -3.390 -7.775 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -2.790 -2.744 -8.946 1.00 0.00 H new ATOM 1497 N PRO A 97 -2.692 -6.377 -7.021 1.00 0.00 N ATOM 1498 CA PRO A 97 -1.836 -7.385 -6.387 1.00 0.00 C ATOM 1499 C PRO A 97 -0.507 -6.803 -5.916 1.00 0.00 C ATOM 1500 O PRO A 97 -0.136 -5.691 -6.293 1.00 0.00 O ATOM 1501 CB PRO A 97 -1.607 -8.407 -7.502 1.00 0.00 C ATOM 1502 CG PRO A 97 -1.784 -7.638 -8.765 1.00 0.00 C ATOM 1503 CD PRO A 97 -2.826 -6.594 -8.471 1.00 0.00 C ATOM 0 HA PRO A 97 -2.295 -7.806 -5.492 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -0.610 -8.843 -7.441 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -2.319 -9.230 -7.437 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -0.846 -7.177 -9.076 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -2.103 -8.290 -9.578 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -2.646 -5.677 -9.033 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -3.826 -6.939 -8.735 1.00 0.00 H new ATOM 1511 N LYS A 98 0.206 -7.562 -5.091 1.00 0.00 N ATOM 1512 CA LYS A 98 1.495 -7.123 -4.570 1.00 0.00 C ATOM 1513 C LYS A 98 2.622 -8.010 -5.090 1.00 0.00 C ATOM 1514 O LYS A 98 3.744 -7.965 -4.584 1.00 0.00 O ATOM 1515 CB LYS A 98 1.482 -7.141 -3.039 1.00 0.00 C ATOM 1516 CG LYS A 98 1.944 -8.460 -2.443 1.00 0.00 C ATOM 1517 CD LYS A 98 1.619 -8.545 -0.962 1.00 0.00 C ATOM 1518 CE LYS A 98 0.183 -8.989 -0.730 1.00 0.00 C ATOM 1519 NZ LYS A 98 -0.769 -7.846 -0.797 1.00 0.00 N ATOM 0 H LYS A 98 -0.087 -8.484 -4.769 1.00 0.00 H new ATOM 0 HA LYS A 98 1.670 -6.104 -4.914 1.00 0.00 H new ATOM 0 HB2 LYS A 98 2.122 -6.340 -2.669 1.00 0.00 H new ATOM 0 HB3 LYS A 98 0.472 -6.928 -2.690 1.00 0.00 H new ATOM 0 HG2 LYS A 98 1.466 -9.286 -2.970 1.00 0.00 H new ATOM 0 HG3 LYS A 98 3.019 -8.569 -2.588 1.00 0.00 H new ATOM 0 HD2 LYS A 98 2.300 -9.246 -0.479 1.00 0.00 H new ATOM 0 HD3 LYS A 98 1.780 -7.572 -0.497 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -0.092 -9.734 -1.476 1.00 0.00 H new ATOM 0 HE3 LYS A 98 0.105 -9.470 0.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -1.511 -7.970 -0.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -0.258 -6.958 -0.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -1.204 -7.811 -1.741 1.00 0.00 H new ATOM 1533 N LYS A 99 2.318 -8.812 -6.103 1.00 0.00 N ATOM 1534 CA LYS A 99 3.306 -9.707 -6.694 1.00 0.00 C ATOM 1535 C LYS A 99 4.127 -8.985 -7.758 1.00 0.00 C ATOM 1536 O LYS A 99 3.928 -7.796 -8.008 1.00 0.00 O ATOM 1537 CB LYS A 99 2.615 -10.927 -7.310 1.00 0.00 C ATOM 1538 CG LYS A 99 1.835 -10.611 -8.574 1.00 0.00 C ATOM 1539 CD LYS A 99 2.700 -10.757 -9.815 1.00 0.00 C ATOM 1540 CE LYS A 99 1.857 -10.795 -11.081 1.00 0.00 C ATOM 1541 NZ LYS A 99 1.390 -9.437 -11.476 1.00 0.00 N ATOM 0 H LYS A 99 1.394 -8.861 -6.533 1.00 0.00 H new ATOM 0 HA LYS A 99 3.979 -10.038 -5.903 1.00 0.00 H new ATOM 0 HB2 LYS A 99 3.366 -11.684 -7.536 1.00 0.00 H new ATOM 0 HB3 LYS A 99 1.938 -11.360 -6.574 1.00 0.00 H new ATOM 0 HG2 LYS A 99 0.975 -11.277 -8.648 1.00 0.00 H new ATOM 0 HG3 LYS A 99 1.446 -9.594 -8.518 1.00 0.00 H new ATOM 0 HD2 LYS A 99 3.403 -9.926 -9.870 1.00 0.00 H new ATOM 0 HD3 LYS A 99 3.291 -11.670 -9.743 1.00 0.00 H new ATOM 0 HE2 LYS A 99 2.440 -11.229 -11.893 1.00 0.00 H new ATOM 0 HE3 LYS A 99 0.996 -11.444 -10.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 0.819 -9.505 -12.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 0.812 -9.033 -10.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 2.212 -8.824 -11.650 1.00 0.00 H new ATOM 1555 N HIS A 100 5.049 -9.711 -8.382 1.00 0.00 N ATOM 1556 CA HIS A 100 5.899 -9.139 -9.419 1.00 0.00 C ATOM 1557 C HIS A 100 6.782 -10.211 -10.051 1.00 0.00 C ATOM 1558 O HIS A 100 6.771 -11.367 -9.627 1.00 0.00 O ATOM 1559 CB HIS A 100 6.769 -8.023 -8.839 1.00 0.00 C ATOM 1560 CG HIS A 100 7.577 -8.449 -7.652 1.00 0.00 C ATOM 1561 ND1 HIS A 100 8.819 -9.037 -7.760 1.00 0.00 N ATOM 1562 CD2 HIS A 100 7.313 -8.369 -6.327 1.00 0.00 C ATOM 1563 CE1 HIS A 100 9.285 -9.301 -6.552 1.00 0.00 C ATOM 1564 NE2 HIS A 100 8.390 -8.905 -5.665 1.00 0.00 N ATOM 0 H HIS A 100 5.226 -10.696 -8.187 1.00 0.00 H new ATOM 0 HA HIS A 100 5.254 -8.722 -10.192 1.00 0.00 H new ATOM 0 HB2 HIS A 100 7.442 -7.658 -9.615 1.00 0.00 H new ATOM 0 HB3 HIS A 100 6.130 -7.187 -8.553 1.00 0.00 H new ATOM 0 HD2 HIS A 100 6.422 -7.960 -5.875 1.00 0.00 H new ATOM 0 HE1 HIS A 100 10.236 -9.762 -6.328 1.00 0.00 H new ATOM 0 HE2 HIS A 100 8.484 -8.984 -4.652 1.00 0.00 H new ATOM 1572 N VAL A 101 7.545 -9.821 -11.067 1.00 0.00 N ATOM 1573 CA VAL A 101 8.433 -10.748 -11.757 1.00 0.00 C ATOM 1574 C VAL A 101 9.501 -10.001 -12.548 1.00 0.00 C ATOM 1575 O VAL A 101 9.188 -9.190 -13.420 1.00 0.00 O ATOM 1576 CB VAL A 101 7.652 -11.669 -12.712 1.00 0.00 C ATOM 1577 CG1 VAL A 101 6.944 -10.851 -13.782 1.00 0.00 C ATOM 1578 CG2 VAL A 101 8.581 -12.694 -13.343 1.00 0.00 C ATOM 0 H VAL A 101 7.566 -8.868 -11.431 1.00 0.00 H new ATOM 0 HA VAL A 101 8.912 -11.356 -10.990 1.00 0.00 H new ATOM 0 HB VAL A 101 6.896 -12.203 -12.136 1.00 0.00 H new ATOM 0 HG11 VAL A 101 6.397 -11.519 -14.448 1.00 0.00 H new ATOM 0 HG12 VAL A 101 6.247 -10.159 -13.309 1.00 0.00 H new ATOM 0 HG13 VAL A 101 7.680 -10.289 -14.356 1.00 0.00 H new ATOM 0 HG21 VAL A 101 8.012 -13.336 -14.015 1.00 0.00 H new ATOM 0 HG22 VAL A 101 9.361 -12.181 -13.906 1.00 0.00 H new ATOM 0 HG23 VAL A 101 9.038 -13.301 -12.561 1.00 0.00 H new ATOM 1588 N GLY A 102 10.764 -10.280 -12.238 1.00 0.00 N ATOM 1589 CA GLY A 102 11.859 -9.626 -12.931 1.00 0.00 C ATOM 1590 C GLY A 102 12.960 -9.185 -11.987 1.00 0.00 C ATOM 1591 O GLY A 102 12.813 -9.270 -10.767 1.00 0.00 O ATOM 0 H GLY A 102 11.048 -10.947 -11.520 1.00 0.00 H new ATOM 0 HA2 GLY A 102 12.273 -10.307 -13.675 1.00 0.00 H new ATOM 0 HA3 GLY A 102 11.478 -8.759 -13.470 1.00 0.00 H new ATOM 1595 N GLY A 103 14.068 -8.713 -12.550 1.00 0.00 N ATOM 1596 CA GLY A 103 15.182 -8.267 -11.736 1.00 0.00 C ATOM 1597 C GLY A 103 15.336 -6.758 -11.741 1.00 0.00 C ATOM 1598 O GLY A 103 15.169 -6.114 -12.775 1.00 0.00 O ATOM 0 H GLY A 103 14.213 -8.632 -13.556 1.00 0.00 H new ATOM 0 HA2 GLY A 103 15.040 -8.611 -10.712 1.00 0.00 H new ATOM 0 HA3 GLY A 103 16.101 -8.724 -12.102 1.00 0.00 H new ATOM 1602 N SER A 104 15.654 -6.194 -10.579 1.00 0.00 N ATOM 1603 CA SER A 104 15.824 -4.752 -10.452 1.00 0.00 C ATOM 1604 C SER A 104 17.206 -4.323 -10.936 1.00 0.00 C ATOM 1605 O SER A 104 17.332 -3.501 -11.842 1.00 0.00 O ATOM 1606 CB SER A 104 15.624 -4.319 -8.998 1.00 0.00 C ATOM 1607 OG SER A 104 15.404 -2.922 -8.908 1.00 0.00 O ATOM 0 H SER A 104 15.799 -6.714 -9.714 1.00 0.00 H new ATOM 0 HA SER A 104 15.073 -4.267 -11.075 1.00 0.00 H new ATOM 0 HB2 SER A 104 14.775 -4.852 -8.570 1.00 0.00 H new ATOM 0 HB3 SER A 104 16.501 -4.591 -8.410 1.00 0.00 H new ATOM 0 HG SER A 104 15.277 -2.671 -7.969 1.00 0.00 H new ATOM 1613 N GLY A 105 18.243 -4.888 -10.323 1.00 0.00 N ATOM 1614 CA GLY A 105 19.602 -4.553 -10.704 1.00 0.00 C ATOM 1615 C GLY A 105 20.619 -4.992 -9.669 1.00 0.00 C ATOM 1616 O GLY A 105 20.344 -5.016 -8.469 1.00 0.00 O ATOM 0 H GLY A 105 18.165 -5.571 -9.570 1.00 0.00 H new ATOM 0 HA2 GLY A 105 19.835 -5.023 -11.660 1.00 0.00 H new ATOM 0 HA3 GLY A 105 19.680 -3.476 -10.851 1.00 0.00 H new ATOM 1620 N PRO A 106 21.825 -5.351 -10.133 1.00 0.00 N ATOM 1621 CA PRO A 106 22.909 -5.800 -9.255 1.00 0.00 C ATOM 1622 C PRO A 106 23.468 -4.668 -8.400 1.00 0.00 C ATOM 1623 O PRO A 106 24.395 -4.869 -7.615 1.00 0.00 O ATOM 1624 CB PRO A 106 23.973 -6.304 -10.234 1.00 0.00 C ATOM 1625 CG PRO A 106 23.710 -5.557 -11.496 1.00 0.00 C ATOM 1626 CD PRO A 106 22.222 -5.347 -11.551 1.00 0.00 C ATOM 0 HA PRO A 106 22.572 -6.555 -8.544 1.00 0.00 H new ATOM 0 HB2 PRO A 106 24.978 -6.109 -9.861 1.00 0.00 H new ATOM 0 HB3 PRO A 106 23.893 -7.380 -10.387 1.00 0.00 H new ATOM 0 HG2 PRO A 106 24.239 -4.604 -11.503 1.00 0.00 H new ATOM 0 HG3 PRO A 106 24.057 -6.120 -12.362 1.00 0.00 H new ATOM 0 HD2 PRO A 106 21.967 -4.405 -12.037 1.00 0.00 H new ATOM 0 HD3 PRO A 106 21.725 -6.140 -12.110 1.00 0.00 H new ATOM 1634 N SER A 107 22.898 -3.478 -8.555 1.00 0.00 N ATOM 1635 CA SER A 107 23.341 -2.313 -7.799 1.00 0.00 C ATOM 1636 C SER A 107 22.221 -1.786 -6.907 1.00 0.00 C ATOM 1637 O SER A 107 21.048 -1.824 -7.277 1.00 0.00 O ATOM 1638 CB SER A 107 23.814 -1.211 -8.749 1.00 0.00 C ATOM 1639 OG SER A 107 22.713 -0.519 -9.315 1.00 0.00 O ATOM 0 H SER A 107 22.128 -3.295 -9.198 1.00 0.00 H new ATOM 0 HA SER A 107 24.174 -2.618 -7.165 1.00 0.00 H new ATOM 0 HB2 SER A 107 24.450 -0.509 -8.209 1.00 0.00 H new ATOM 0 HB3 SER A 107 24.421 -1.646 -9.543 1.00 0.00 H new ATOM 0 HG SER A 107 23.041 0.181 -9.917 1.00 0.00 H new ATOM 1645 N SER A 108 22.593 -1.292 -5.730 1.00 0.00 N ATOM 1646 CA SER A 108 21.620 -0.761 -4.783 1.00 0.00 C ATOM 1647 C SER A 108 22.311 0.056 -3.695 1.00 0.00 C ATOM 1648 O SER A 108 23.523 -0.043 -3.503 1.00 0.00 O ATOM 1649 CB SER A 108 20.820 -1.900 -4.148 1.00 0.00 C ATOM 1650 OG SER A 108 21.677 -2.839 -3.522 1.00 0.00 O ATOM 0 H SER A 108 23.561 -1.249 -5.410 1.00 0.00 H new ATOM 0 HA SER A 108 20.939 -0.107 -5.328 1.00 0.00 H new ATOM 0 HB2 SER A 108 20.123 -1.494 -3.415 1.00 0.00 H new ATOM 0 HB3 SER A 108 20.224 -2.400 -4.912 1.00 0.00 H new ATOM 0 HG SER A 108 21.141 -3.556 -3.123 1.00 0.00 H new ATOM 1656 N GLY A 109 21.531 0.866 -2.986 1.00 0.00 N ATOM 1657 CA GLY A 109 22.085 1.690 -1.927 1.00 0.00 C ATOM 1658 C GLY A 109 22.061 0.997 -0.580 1.00 0.00 C ATOM 1659 O GLY A 109 22.388 1.600 0.442 1.00 0.00 O ATOM 0 H GLY A 109 20.526 0.966 -3.126 1.00 0.00 H new ATOM 0 HA2 GLY A 109 23.112 1.955 -2.177 1.00 0.00 H new ATOM 0 HA3 GLY A 109 21.522 2.621 -1.863 1.00 0.00 H new TER 1663 GLY A 109