USER MOD reduce.3.24.130724 H: found=0, std=0, add=861, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 857 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 103 LYS NZ :NH3+ -130:sc= 0.453 (180deg=0) USER MOD Set 1.2: A 106 SER OG : rot -150:sc= 0.415 USER MOD Set 2.1: A 53 SER OG : rot -50:sc=-0.00143 USER MOD Set 2.2: A 102 MET CE :methyl -157:sc= 0 (180deg=0) USER MOD Set 3.1: A 58 THR OG1 : rot 180:sc= 1.03 USER MOD Set 3.2: A 61 SER OG : rot 112:sc= 1.25 USER MOD Single : A 1 GLY N :NH3+ -125:sc= 0.188 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot -34:sc= 1.16 USER MOD Single : A 5 SER OG : rot 40:sc= 1.24 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 159:sc= 1.27 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot -36:sc= 1.28 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 85:sc= 1.1 USER MOD Single : A 43 ASN : amide:sc= 1.15 K(o=1.2,f=-6!) USER MOD Single : A 44 ASN : amide:sc= -0.0821 K(o=-0.082,f=-1.4) USER MOD Single : A 47 GLN :FLIP amide:sc= -0.119 F(o=-0.75,f=-0.12) USER MOD Single : A 59 GLN : amide:sc= -0.702 K(o=-0.7,f=-1.3) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0242) USER MOD Single : A 73 HIS : no HD1:sc= -0.833 X(o=-0.83,f=-0.91) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 MET CE :methyl 177:sc= -0.991 (180deg=-1.08) USER MOD Single : A 87 GLN : amide:sc= -0.383 K(o=-0.38,f=-2.9!) USER MOD Single : A 91 ASN : amide:sc= 0.766 K(o=0.77,f=0) USER MOD Single : A 94 HIS : no HE2:sc= 1.02 K(o=1,f=-3.3!) USER MOD Single : A 95 ASN : amide:sc= 0.29 K(o=0.29,f=-5.1!) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -22.487 27.044 -25.865 1.00 0.00 N ATOM 2 CA GLY A 1 -22.376 25.954 -24.878 1.00 0.00 C ATOM 3 C GLY A 1 -21.804 24.719 -25.554 1.00 0.00 C ATOM 4 O GLY A 1 -21.432 24.810 -26.720 1.00 0.00 O ATOM 0 H1 GLY A 1 -21.980 27.882 -25.515 1.00 0.00 H new ATOM 0 H2 GLY A 1 -22.070 26.739 -26.768 1.00 0.00 H new ATOM 0 H3 GLY A 1 -23.489 27.281 -26.009 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -21.734 26.260 -24.052 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -23.355 25.730 -24.455 1.00 0.00 H new ATOM 8 N SER A 2 -21.727 23.595 -24.843 1.00 0.00 N ATOM 9 CA SER A 2 -21.201 22.339 -25.367 1.00 0.00 C ATOM 10 C SER A 2 -21.962 21.182 -24.722 1.00 0.00 C ATOM 11 O SER A 2 -22.813 20.582 -25.370 1.00 0.00 O ATOM 12 CB SER A 2 -19.684 22.261 -25.126 1.00 0.00 C ATOM 13 OG SER A 2 -19.347 22.728 -23.825 1.00 0.00 O ATOM 0 H SER A 2 -22.033 23.532 -23.872 1.00 0.00 H new ATOM 0 HA SER A 2 -21.348 22.278 -26.445 1.00 0.00 H new ATOM 0 HB2 SER A 2 -19.346 21.231 -25.245 1.00 0.00 H new ATOM 0 HB3 SER A 2 -19.163 22.856 -25.876 1.00 0.00 H new ATOM 0 HG SER A 2 -18.377 22.666 -23.696 1.00 0.00 H new ATOM 19 N SER A 3 -21.725 20.949 -23.426 1.00 0.00 N ATOM 20 CA SER A 3 -22.023 19.709 -22.704 1.00 0.00 C ATOM 21 C SER A 3 -21.271 18.515 -23.323 1.00 0.00 C ATOM 22 O SER A 3 -20.373 18.713 -24.144 1.00 0.00 O ATOM 23 CB SER A 3 -23.538 19.521 -22.484 1.00 0.00 C ATOM 24 OG SER A 3 -24.252 19.211 -23.661 1.00 0.00 O ATOM 0 H SER A 3 -21.300 21.654 -22.824 1.00 0.00 H new ATOM 0 HA SER A 3 -21.630 19.777 -21.689 1.00 0.00 H new ATOM 0 HB2 SER A 3 -23.694 18.725 -21.756 1.00 0.00 H new ATOM 0 HB3 SER A 3 -23.948 20.433 -22.051 1.00 0.00 H new ATOM 0 HG SER A 3 -23.843 19.673 -24.423 1.00 0.00 H new ATOM 30 N GLY A 4 -21.564 17.296 -22.869 1.00 0.00 N ATOM 31 CA GLY A 4 -20.900 16.070 -23.279 1.00 0.00 C ATOM 32 C GLY A 4 -21.258 14.954 -22.299 1.00 0.00 C ATOM 33 O GLY A 4 -21.967 15.189 -21.317 1.00 0.00 O ATOM 0 H GLY A 4 -22.299 17.135 -22.180 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -21.207 15.796 -24.289 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -19.820 16.217 -23.303 1.00 0.00 H new ATOM 37 N SER A 5 -20.789 13.739 -22.572 1.00 0.00 N ATOM 38 CA SER A 5 -20.784 12.601 -21.663 1.00 0.00 C ATOM 39 C SER A 5 -19.864 11.533 -22.254 1.00 0.00 C ATOM 40 O SER A 5 -19.754 11.425 -23.479 1.00 0.00 O ATOM 41 CB SER A 5 -22.197 12.023 -21.531 1.00 0.00 C ATOM 42 OG SER A 5 -22.949 12.762 -20.586 1.00 0.00 O ATOM 0 H SER A 5 -20.382 13.513 -23.480 1.00 0.00 H new ATOM 0 HA SER A 5 -20.439 12.915 -20.678 1.00 0.00 H new ATOM 0 HB2 SER A 5 -22.697 12.045 -22.499 1.00 0.00 H new ATOM 0 HB3 SER A 5 -22.142 10.979 -21.224 1.00 0.00 H new ATOM 0 HG SER A 5 -22.752 13.717 -20.685 1.00 0.00 H new ATOM 48 N SER A 6 -19.265 10.707 -21.395 1.00 0.00 N ATOM 49 CA SER A 6 -18.678 9.424 -21.742 1.00 0.00 C ATOM 50 C SER A 6 -18.497 8.623 -20.443 1.00 0.00 C ATOM 51 O SER A 6 -18.867 9.080 -19.357 1.00 0.00 O ATOM 52 CB SER A 6 -17.350 9.633 -22.491 1.00 0.00 C ATOM 53 OG SER A 6 -17.043 8.497 -23.283 1.00 0.00 O ATOM 0 H SER A 6 -19.175 10.927 -20.403 1.00 0.00 H new ATOM 0 HA SER A 6 -19.327 8.864 -22.415 1.00 0.00 H new ATOM 0 HB2 SER A 6 -17.418 10.518 -23.124 1.00 0.00 H new ATOM 0 HB3 SER A 6 -16.547 9.813 -21.776 1.00 0.00 H new ATOM 0 HG SER A 6 -16.197 8.646 -23.754 1.00 0.00 H new ATOM 59 N GLY A 7 -17.933 7.423 -20.554 1.00 0.00 N ATOM 60 CA GLY A 7 -17.569 6.556 -19.448 1.00 0.00 C ATOM 61 C GLY A 7 -17.471 5.120 -19.944 1.00 0.00 C ATOM 62 O GLY A 7 -17.946 4.800 -21.043 1.00 0.00 O ATOM 0 H GLY A 7 -17.709 7.014 -21.461 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -16.616 6.871 -19.022 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -18.313 6.629 -18.654 1.00 0.00 H new ATOM 66 N TYR A 8 -16.892 4.246 -19.131 1.00 0.00 N ATOM 67 CA TYR A 8 -16.660 2.855 -19.468 1.00 0.00 C ATOM 68 C TYR A 8 -16.665 2.037 -18.185 1.00 0.00 C ATOM 69 O TYR A 8 -15.937 2.352 -17.241 1.00 0.00 O ATOM 70 CB TYR A 8 -15.336 2.711 -20.240 1.00 0.00 C ATOM 71 CG TYR A 8 -14.099 3.249 -19.535 1.00 0.00 C ATOM 72 CD1 TYR A 8 -13.779 4.620 -19.609 1.00 0.00 C ATOM 73 CD2 TYR A 8 -13.281 2.383 -18.784 1.00 0.00 C ATOM 74 CE1 TYR A 8 -12.679 5.135 -18.899 1.00 0.00 C ATOM 75 CE2 TYR A 8 -12.182 2.892 -18.069 1.00 0.00 C ATOM 76 CZ TYR A 8 -11.882 4.272 -18.112 1.00 0.00 C ATOM 77 OH TYR A 8 -10.825 4.755 -17.399 1.00 0.00 O ATOM 0 H TYR A 8 -16.564 4.495 -18.198 1.00 0.00 H new ATOM 0 HA TYR A 8 -17.451 2.483 -20.119 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -15.177 1.655 -20.458 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -15.437 3.222 -21.197 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -14.382 5.280 -20.215 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -13.498 1.325 -18.757 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -12.444 6.188 -18.955 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -11.565 2.225 -17.485 1.00 0.00 H new ATOM 0 HH TYR A 8 -10.393 4.020 -16.916 1.00 0.00 H new ATOM 87 N SER A 9 -17.471 0.977 -18.150 1.00 0.00 N ATOM 88 CA SER A 9 -17.160 -0.141 -17.277 1.00 0.00 C ATOM 89 C SER A 9 -15.895 -0.804 -17.825 1.00 0.00 C ATOM 90 O SER A 9 -15.644 -0.785 -19.036 1.00 0.00 O ATOM 91 CB SER A 9 -18.330 -1.128 -17.256 1.00 0.00 C ATOM 92 OG SER A 9 -19.380 -0.630 -16.444 1.00 0.00 O ATOM 0 H SER A 9 -18.322 0.874 -18.703 1.00 0.00 H new ATOM 0 HA SER A 9 -16.996 0.193 -16.252 1.00 0.00 H new ATOM 0 HB2 SER A 9 -18.693 -1.294 -18.270 1.00 0.00 H new ATOM 0 HB3 SER A 9 -17.994 -2.093 -16.876 1.00 0.00 H new ATOM 0 HG SER A 9 -20.122 -1.270 -16.441 1.00 0.00 H new ATOM 98 N GLY A 10 -15.132 -1.426 -16.932 1.00 0.00 N ATOM 99 CA GLY A 10 -13.930 -2.166 -17.272 1.00 0.00 C ATOM 100 C GLY A 10 -13.699 -3.212 -16.194 1.00 0.00 C ATOM 101 O GLY A 10 -14.659 -3.689 -15.579 1.00 0.00 O ATOM 0 H GLY A 10 -15.339 -1.428 -15.933 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -14.039 -2.642 -18.247 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -13.075 -1.493 -17.339 1.00 0.00 H new ATOM 105 N SER A 11 -12.434 -3.556 -15.972 1.00 0.00 N ATOM 106 CA SER A 11 -12.005 -4.482 -14.939 1.00 0.00 C ATOM 107 C SER A 11 -12.265 -3.888 -13.550 1.00 0.00 C ATOM 108 O SER A 11 -11.426 -3.145 -13.043 1.00 0.00 O ATOM 109 CB SER A 11 -10.516 -4.790 -15.151 1.00 0.00 C ATOM 110 OG SER A 11 -10.329 -5.409 -16.412 1.00 0.00 O ATOM 0 H SER A 11 -11.660 -3.186 -16.524 1.00 0.00 H new ATOM 0 HA SER A 11 -12.573 -5.410 -15.003 1.00 0.00 H new ATOM 0 HB2 SER A 11 -9.934 -3.870 -15.097 1.00 0.00 H new ATOM 0 HB3 SER A 11 -10.154 -5.444 -14.357 1.00 0.00 H new ATOM 0 HG SER A 11 -9.377 -5.602 -16.544 1.00 0.00 H new ATOM 116 N GLN A 12 -13.400 -4.223 -12.926 1.00 0.00 N ATOM 117 CA GLN A 12 -13.700 -3.859 -11.542 1.00 0.00 C ATOM 118 C GLN A 12 -12.620 -4.446 -10.624 1.00 0.00 C ATOM 119 O GLN A 12 -11.874 -3.703 -9.984 1.00 0.00 O ATOM 120 CB GLN A 12 -15.113 -4.342 -11.168 1.00 0.00 C ATOM 121 CG GLN A 12 -15.515 -4.024 -9.717 1.00 0.00 C ATOM 122 CD GLN A 12 -16.653 -4.926 -9.249 1.00 0.00 C ATOM 123 OE1 GLN A 12 -17.674 -5.076 -9.916 1.00 0.00 O ATOM 124 NE2 GLN A 12 -16.506 -5.609 -8.127 1.00 0.00 N ATOM 0 H GLN A 12 -14.142 -4.760 -13.375 1.00 0.00 H new ATOM 0 HA GLN A 12 -13.690 -2.776 -11.421 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -15.834 -3.883 -11.844 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -15.171 -5.419 -11.323 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -14.653 -4.152 -9.062 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -15.820 -2.980 -9.642 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -15.662 -5.492 -7.566 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -17.236 -6.253 -7.823 1.00 0.00 H new ATOM 133 N ALA A 13 -12.530 -5.777 -10.563 1.00 0.00 N ATOM 134 CA ALA A 13 -11.477 -6.529 -9.886 1.00 0.00 C ATOM 135 C ALA A 13 -11.519 -7.991 -10.356 1.00 0.00 C ATOM 136 O ALA A 13 -12.603 -8.478 -10.675 1.00 0.00 O ATOM 137 CB ALA A 13 -11.699 -6.488 -8.369 1.00 0.00 C ATOM 0 H ALA A 13 -13.221 -6.384 -11.004 1.00 0.00 H new ATOM 0 HA ALA A 13 -10.510 -6.085 -10.124 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -10.910 -7.051 -7.870 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -11.679 -5.454 -8.026 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -12.666 -6.930 -8.131 1.00 0.00 H new ATOM 143 N PRO A 14 -10.396 -8.727 -10.369 1.00 0.00 N ATOM 144 CA PRO A 14 -10.378 -10.106 -10.837 1.00 0.00 C ATOM 145 C PRO A 14 -11.042 -11.053 -9.834 1.00 0.00 C ATOM 146 O PRO A 14 -12.086 -11.643 -10.115 1.00 0.00 O ATOM 147 CB PRO A 14 -8.906 -10.440 -11.079 1.00 0.00 C ATOM 148 CG PRO A 14 -8.150 -9.490 -10.151 1.00 0.00 C ATOM 149 CD PRO A 14 -9.052 -8.259 -10.069 1.00 0.00 C ATOM 0 HA PRO A 14 -10.956 -10.229 -11.753 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -8.690 -11.482 -10.844 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -8.628 -10.284 -12.121 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -7.991 -9.934 -9.169 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -7.167 -9.239 -10.551 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -9.008 -7.808 -9.078 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -8.737 -7.496 -10.780 1.00 0.00 H new ATOM 157 N GLY A 15 -10.456 -11.212 -8.646 1.00 0.00 N ATOM 158 CA GLY A 15 -10.775 -12.288 -7.721 1.00 0.00 C ATOM 159 C GLY A 15 -9.479 -12.829 -7.127 1.00 0.00 C ATOM 160 O GLY A 15 -8.461 -12.133 -7.149 1.00 0.00 O ATOM 0 H GLY A 15 -9.733 -10.582 -8.298 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -11.429 -11.923 -6.929 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -11.313 -13.082 -8.238 1.00 0.00 H new ATOM 164 N GLY A 16 -9.560 -14.051 -6.594 1.00 0.00 N ATOM 165 CA GLY A 16 -8.506 -14.860 -5.993 1.00 0.00 C ATOM 166 C GLY A 16 -7.081 -14.435 -6.340 1.00 0.00 C ATOM 167 O GLY A 16 -6.587 -14.748 -7.425 1.00 0.00 O ATOM 0 H GLY A 16 -10.453 -14.543 -6.572 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -8.622 -14.833 -4.910 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -8.644 -15.896 -6.302 1.00 0.00 H new ATOM 171 N ILE A 17 -6.412 -13.755 -5.399 1.00 0.00 N ATOM 172 CA ILE A 17 -5.010 -13.347 -5.523 1.00 0.00 C ATOM 173 C ILE A 17 -4.132 -14.539 -5.922 1.00 0.00 C ATOM 174 O ILE A 17 -3.211 -14.363 -6.711 1.00 0.00 O ATOM 175 CB ILE A 17 -4.526 -12.655 -4.219 1.00 0.00 C ATOM 176 CG1 ILE A 17 -3.083 -12.096 -4.284 1.00 0.00 C ATOM 177 CG2 ILE A 17 -4.595 -13.599 -2.995 1.00 0.00 C ATOM 178 CD1 ILE A 17 -2.797 -10.979 -5.289 1.00 0.00 C ATOM 0 H ILE A 17 -6.838 -13.470 -4.517 1.00 0.00 H new ATOM 0 HA ILE A 17 -4.923 -12.612 -6.323 1.00 0.00 H new ATOM 0 HB ILE A 17 -5.218 -11.820 -4.110 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -2.821 -11.729 -3.292 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -2.412 -12.926 -4.505 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -4.247 -13.070 -2.108 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -5.624 -13.923 -2.843 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -3.962 -14.469 -3.171 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -1.748 -10.689 -5.222 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -3.012 -11.333 -6.297 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -3.427 -10.118 -5.065 1.00 0.00 H new ATOM 190 N GLN A 18 -4.411 -15.749 -5.420 1.00 0.00 N ATOM 191 CA GLN A 18 -3.551 -16.908 -5.624 1.00 0.00 C ATOM 192 C GLN A 18 -3.436 -17.264 -7.109 1.00 0.00 C ATOM 193 O GLN A 18 -2.357 -17.611 -7.580 1.00 0.00 O ATOM 194 CB GLN A 18 -4.081 -18.104 -4.811 1.00 0.00 C ATOM 195 CG GLN A 18 -2.904 -18.899 -4.239 1.00 0.00 C ATOM 196 CD GLN A 18 -3.339 -20.180 -3.534 1.00 0.00 C ATOM 197 OE1 GLN A 18 -3.149 -21.281 -4.045 1.00 0.00 O ATOM 198 NE2 GLN A 18 -3.934 -20.085 -2.359 1.00 0.00 N ATOM 0 H GLN A 18 -5.241 -15.946 -4.861 1.00 0.00 H new ATOM 0 HA GLN A 18 -2.550 -16.659 -5.272 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -4.722 -17.752 -4.003 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -4.692 -18.746 -5.446 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -2.216 -19.150 -5.046 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -2.356 -18.272 -3.536 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -4.090 -19.169 -1.939 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -4.238 -20.928 -1.872 1.00 0.00 H new ATOM 207 N GLU A 19 -4.537 -17.164 -7.848 1.00 0.00 N ATOM 208 CA GLU A 19 -4.596 -17.453 -9.270 1.00 0.00 C ATOM 209 C GLU A 19 -3.970 -16.322 -10.080 1.00 0.00 C ATOM 210 O GLU A 19 -3.267 -16.579 -11.054 1.00 0.00 O ATOM 211 CB GLU A 19 -6.061 -17.661 -9.628 1.00 0.00 C ATOM 212 CG GLU A 19 -6.296 -18.180 -11.046 1.00 0.00 C ATOM 213 CD GLU A 19 -7.704 -18.760 -11.073 1.00 0.00 C ATOM 214 OE1 GLU A 19 -8.673 -17.957 -11.118 1.00 0.00 O ATOM 215 OE2 GLU A 19 -7.850 -19.972 -10.832 1.00 0.00 O ATOM 0 H GLU A 19 -5.434 -16.872 -7.460 1.00 0.00 H new ATOM 0 HA GLU A 19 -4.025 -18.351 -9.508 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -6.499 -18.364 -8.919 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -6.590 -16.715 -9.508 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -6.195 -17.375 -11.774 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -5.559 -18.940 -11.307 1.00 0.00 H new ATOM 222 N ILE A 20 -4.155 -15.069 -9.663 1.00 0.00 N ATOM 223 CA ILE A 20 -3.477 -13.943 -10.293 1.00 0.00 C ATOM 224 C ILE A 20 -1.963 -14.099 -10.132 1.00 0.00 C ATOM 225 O ILE A 20 -1.217 -13.908 -11.092 1.00 0.00 O ATOM 226 CB ILE A 20 -4.045 -12.623 -9.730 1.00 0.00 C ATOM 227 CG1 ILE A 20 -5.543 -12.448 -10.078 1.00 0.00 C ATOM 228 CG2 ILE A 20 -3.229 -11.419 -10.214 1.00 0.00 C ATOM 229 CD1 ILE A 20 -5.878 -12.579 -11.571 1.00 0.00 C ATOM 0 H ILE A 20 -4.770 -14.811 -8.891 1.00 0.00 H new ATOM 0 HA ILE A 20 -3.663 -13.920 -11.367 1.00 0.00 H new ATOM 0 HB ILE A 20 -3.964 -12.675 -8.644 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -6.119 -13.190 -9.525 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -5.870 -11.467 -9.732 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -3.652 -10.503 -9.802 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -2.196 -11.523 -9.882 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -3.258 -11.374 -11.303 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -6.949 -12.441 -11.717 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -5.335 -11.820 -12.134 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -5.588 -13.569 -11.923 1.00 0.00 H new ATOM 241 N VAL A 21 -1.503 -14.495 -8.950 1.00 0.00 N ATOM 242 CA VAL A 21 -0.109 -14.800 -8.674 1.00 0.00 C ATOM 243 C VAL A 21 0.356 -15.966 -9.542 1.00 0.00 C ATOM 244 O VAL A 21 1.486 -15.949 -10.031 1.00 0.00 O ATOM 245 CB VAL A 21 0.019 -15.116 -7.175 1.00 0.00 C ATOM 246 CG1 VAL A 21 1.387 -15.670 -6.785 1.00 0.00 C ATOM 247 CG2 VAL A 21 -0.258 -13.886 -6.306 1.00 0.00 C ATOM 0 H VAL A 21 -2.108 -14.615 -8.138 1.00 0.00 H new ATOM 0 HA VAL A 21 0.530 -13.951 -8.916 1.00 0.00 H new ATOM 0 HB VAL A 21 -0.733 -15.884 -6.994 1.00 0.00 H new ATOM 0 HG11 VAL A 21 1.406 -15.870 -5.714 1.00 0.00 H new ATOM 0 HG12 VAL A 21 1.574 -16.595 -7.331 1.00 0.00 H new ATOM 0 HG13 VAL A 21 2.159 -14.941 -7.032 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -0.157 -14.153 -5.254 1.00 0.00 H new ATOM 0 HG22 VAL A 21 0.456 -13.099 -6.551 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -1.270 -13.528 -6.494 1.00 0.00 H new ATOM 257 N ALA A 22 -0.497 -16.973 -9.734 1.00 0.00 N ATOM 258 CA ALA A 22 -0.194 -18.136 -10.558 1.00 0.00 C ATOM 259 C ALA A 22 0.077 -17.685 -11.994 1.00 0.00 C ATOM 260 O ALA A 22 1.068 -18.103 -12.594 1.00 0.00 O ATOM 261 CB ALA A 22 -1.333 -19.164 -10.465 1.00 0.00 C ATOM 0 H ALA A 22 -1.427 -17.001 -9.316 1.00 0.00 H new ATOM 0 HA ALA A 22 0.706 -18.631 -10.193 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -1.095 -20.028 -11.085 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -1.452 -19.482 -9.429 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -2.261 -18.712 -10.815 1.00 0.00 H new ATOM 267 N MET A 23 -0.780 -16.803 -12.505 1.00 0.00 N ATOM 268 CA MET A 23 -0.724 -16.217 -13.834 1.00 0.00 C ATOM 269 C MET A 23 0.421 -15.202 -14.004 1.00 0.00 C ATOM 270 O MET A 23 0.828 -14.957 -15.145 1.00 0.00 O ATOM 271 CB MET A 23 -2.076 -15.539 -14.099 1.00 0.00 C ATOM 272 CG MET A 23 -3.260 -16.500 -14.244 1.00 0.00 C ATOM 273 SD MET A 23 -3.418 -17.232 -15.897 1.00 0.00 S ATOM 274 CE MET A 23 -4.943 -18.181 -15.646 1.00 0.00 C ATOM 0 H MET A 23 -1.577 -16.461 -11.968 1.00 0.00 H new ATOM 0 HA MET A 23 -0.524 -17.012 -14.553 1.00 0.00 H new ATOM 0 HB2 MET A 23 -2.286 -14.847 -13.283 1.00 0.00 H new ATOM 0 HB3 MET A 23 -1.996 -14.944 -15.009 1.00 0.00 H new ATOM 0 HG2 MET A 23 -3.157 -17.301 -13.512 1.00 0.00 H new ATOM 0 HG3 MET A 23 -4.180 -15.966 -14.005 1.00 0.00 H new ATOM 0 HE1 MET A 23 -5.201 -18.705 -16.566 1.00 0.00 H new ATOM 0 HE2 MET A 23 -4.793 -18.906 -14.846 1.00 0.00 H new ATOM 0 HE3 MET A 23 -5.753 -17.503 -15.375 1.00 0.00 H new ATOM 284 N SER A 24 0.958 -14.605 -12.931 1.00 0.00 N ATOM 285 CA SER A 24 2.060 -13.642 -13.035 1.00 0.00 C ATOM 286 C SER A 24 3.326 -14.321 -13.592 1.00 0.00 C ATOM 287 O SER A 24 3.540 -15.518 -13.347 1.00 0.00 O ATOM 288 CB SER A 24 2.341 -12.973 -11.673 1.00 0.00 C ATOM 289 OG SER A 24 1.841 -11.645 -11.638 1.00 0.00 O ATOM 0 H SER A 24 0.644 -14.775 -11.976 1.00 0.00 H new ATOM 0 HA SER A 24 1.762 -12.860 -13.733 1.00 0.00 H new ATOM 0 HB2 SER A 24 1.881 -13.558 -10.876 1.00 0.00 H new ATOM 0 HB3 SER A 24 3.414 -12.965 -11.484 1.00 0.00 H new ATOM 0 HG SER A 24 2.032 -11.247 -10.763 1.00 0.00 H new ATOM 295 N PRO A 25 4.181 -13.589 -14.330 1.00 0.00 N ATOM 296 CA PRO A 25 5.525 -14.028 -14.685 1.00 0.00 C ATOM 297 C PRO A 25 6.397 -14.080 -13.428 1.00 0.00 C ATOM 298 O PRO A 25 5.934 -13.770 -12.329 1.00 0.00 O ATOM 299 CB PRO A 25 6.033 -12.998 -15.695 1.00 0.00 C ATOM 300 CG PRO A 25 5.369 -11.711 -15.232 1.00 0.00 C ATOM 301 CD PRO A 25 4.011 -12.195 -14.728 1.00 0.00 C ATOM 0 HA PRO A 25 5.546 -15.029 -15.115 1.00 0.00 H new ATOM 0 HB2 PRO A 25 7.120 -12.920 -15.680 1.00 0.00 H new ATOM 0 HB3 PRO A 25 5.746 -13.256 -16.714 1.00 0.00 H new ATOM 0 HG2 PRO A 25 5.942 -11.221 -14.445 1.00 0.00 H new ATOM 0 HG3 PRO A 25 5.266 -10.993 -16.046 1.00 0.00 H new ATOM 0 HD2 PRO A 25 3.674 -11.591 -13.886 1.00 0.00 H new ATOM 0 HD3 PRO A 25 3.255 -12.105 -15.508 1.00 0.00 H new ATOM 309 N GLU A 26 7.655 -14.492 -13.580 1.00 0.00 N ATOM 310 CA GLU A 26 8.664 -14.118 -12.601 1.00 0.00 C ATOM 311 C GLU A 26 8.616 -12.614 -12.359 1.00 0.00 C ATOM 312 O GLU A 26 8.526 -11.817 -13.295 1.00 0.00 O ATOM 313 CB GLU A 26 10.053 -14.533 -13.074 1.00 0.00 C ATOM 314 CG GLU A 26 10.468 -15.890 -12.504 1.00 0.00 C ATOM 315 CD GLU A 26 11.735 -16.437 -13.152 1.00 0.00 C ATOM 316 OE1 GLU A 26 12.034 -16.059 -14.316 1.00 0.00 O ATOM 317 OE2 GLU A 26 12.416 -17.261 -12.526 1.00 0.00 O ATOM 0 H GLU A 26 7.990 -15.069 -14.351 1.00 0.00 H new ATOM 0 HA GLU A 26 8.453 -14.637 -11.666 1.00 0.00 H new ATOM 0 HB2 GLU A 26 10.067 -14.577 -14.163 1.00 0.00 H new ATOM 0 HB3 GLU A 26 10.779 -13.777 -12.776 1.00 0.00 H new ATOM 0 HG2 GLU A 26 10.626 -15.795 -11.430 1.00 0.00 H new ATOM 0 HG3 GLU A 26 9.656 -16.603 -12.645 1.00 0.00 H new ATOM 324 N LEU A 27 8.700 -12.259 -11.083 1.00 0.00 N ATOM 325 CA LEU A 27 8.620 -10.920 -10.540 1.00 0.00 C ATOM 326 C LEU A 27 9.875 -10.780 -9.699 1.00 0.00 C ATOM 327 O LEU A 27 10.134 -11.608 -8.816 1.00 0.00 O ATOM 328 CB LEU A 27 7.332 -10.781 -9.731 1.00 0.00 C ATOM 329 CG LEU A 27 6.347 -9.791 -10.372 1.00 0.00 C ATOM 330 CD1 LEU A 27 5.884 -10.198 -11.770 1.00 0.00 C ATOM 331 CD2 LEU A 27 5.142 -9.741 -9.453 1.00 0.00 C ATOM 0 H LEU A 27 8.836 -12.956 -10.351 1.00 0.00 H new ATOM 0 HA LEU A 27 8.578 -10.132 -11.292 1.00 0.00 H new ATOM 0 HB2 LEU A 27 6.855 -11.757 -9.640 1.00 0.00 H new ATOM 0 HB3 LEU A 27 7.573 -10.448 -8.721 1.00 0.00 H new ATOM 0 HG LEU A 27 6.847 -8.830 -10.491 1.00 0.00 H new ATOM 0 HD11 LEU A 27 5.191 -9.450 -12.156 1.00 0.00 H new ATOM 0 HD12 LEU A 27 6.747 -10.270 -12.432 1.00 0.00 H new ATOM 0 HD13 LEU A 27 5.383 -11.165 -11.720 1.00 0.00 H new ATOM 0 HD21 LEU A 27 4.403 -9.050 -9.859 1.00 0.00 H new ATOM 0 HD22 LEU A 27 4.703 -10.736 -9.374 1.00 0.00 H new ATOM 0 HD23 LEU A 27 5.452 -9.402 -8.465 1.00 0.00 H new ATOM 343 N ASP A 28 10.705 -9.793 -10.013 1.00 0.00 N ATOM 344 CA ASP A 28 12.005 -9.655 -9.370 1.00 0.00 C ATOM 345 C ASP A 28 11.801 -9.089 -7.980 1.00 0.00 C ATOM 346 O ASP A 28 11.797 -7.875 -7.778 1.00 0.00 O ATOM 347 CB ASP A 28 12.990 -8.826 -10.189 1.00 0.00 C ATOM 348 CG ASP A 28 13.447 -9.596 -11.420 1.00 0.00 C ATOM 349 OD1 ASP A 28 13.810 -10.787 -11.281 1.00 0.00 O ATOM 350 OD2 ASP A 28 13.398 -8.982 -12.512 1.00 0.00 O ATOM 0 H ASP A 28 10.501 -9.076 -10.709 1.00 0.00 H new ATOM 0 HA ASP A 28 12.463 -10.642 -9.298 1.00 0.00 H new ATOM 0 HB2 ASP A 28 12.521 -7.890 -10.493 1.00 0.00 H new ATOM 0 HB3 ASP A 28 13.853 -8.566 -9.575 1.00 0.00 H new ATOM 355 N THR A 29 11.606 -9.989 -7.020 1.00 0.00 N ATOM 356 CA THR A 29 11.291 -9.695 -5.639 1.00 0.00 C ATOM 357 C THR A 29 12.251 -8.638 -5.100 1.00 0.00 C ATOM 358 O THR A 29 11.789 -7.647 -4.545 1.00 0.00 O ATOM 359 CB THR A 29 11.286 -11.000 -4.825 1.00 0.00 C ATOM 360 OG1 THR A 29 12.494 -11.708 -5.004 1.00 0.00 O ATOM 361 CG2 THR A 29 10.146 -11.934 -5.248 1.00 0.00 C ATOM 0 H THR A 29 11.668 -10.991 -7.201 1.00 0.00 H new ATOM 0 HA THR A 29 10.291 -9.269 -5.553 1.00 0.00 H new ATOM 0 HB THR A 29 11.157 -10.707 -3.783 1.00 0.00 H new ATOM 0 HG1 THR A 29 12.624 -12.328 -4.256 1.00 0.00 H new ATOM 0 HG21 THR A 29 10.179 -12.844 -4.648 1.00 0.00 H new ATOM 0 HG22 THR A 29 9.190 -11.433 -5.095 1.00 0.00 H new ATOM 0 HG23 THR A 29 10.257 -12.190 -6.302 1.00 0.00 H new ATOM 369 N TYR A 30 13.563 -8.784 -5.311 1.00 0.00 N ATOM 370 CA TYR A 30 14.542 -7.786 -4.922 1.00 0.00 C ATOM 371 C TYR A 30 14.207 -6.405 -5.484 1.00 0.00 C ATOM 372 O TYR A 30 14.058 -5.464 -4.706 1.00 0.00 O ATOM 373 CB TYR A 30 15.945 -8.225 -5.346 1.00 0.00 C ATOM 374 CG TYR A 30 17.007 -7.565 -4.496 1.00 0.00 C ATOM 375 CD1 TYR A 30 17.114 -7.932 -3.146 1.00 0.00 C ATOM 376 CD2 TYR A 30 17.837 -6.559 -5.016 1.00 0.00 C ATOM 377 CE1 TYR A 30 18.075 -7.327 -2.317 1.00 0.00 C ATOM 378 CE2 TYR A 30 18.778 -5.922 -4.190 1.00 0.00 C ATOM 379 CZ TYR A 30 18.924 -6.324 -2.843 1.00 0.00 C ATOM 380 OH TYR A 30 19.868 -5.734 -2.062 1.00 0.00 O ATOM 0 H TYR A 30 13.969 -9.605 -5.759 1.00 0.00 H new ATOM 0 HA TYR A 30 14.514 -7.702 -3.836 1.00 0.00 H new ATOM 0 HB2 TYR A 30 16.030 -9.308 -5.262 1.00 0.00 H new ATOM 0 HB3 TYR A 30 16.106 -7.973 -6.394 1.00 0.00 H new ATOM 0 HD1 TYR A 30 16.454 -8.684 -2.741 1.00 0.00 H new ATOM 0 HD2 TYR A 30 17.752 -6.274 -6.054 1.00 0.00 H new ATOM 0 HE1 TYR A 30 18.165 -7.626 -1.283 1.00 0.00 H new ATOM 0 HE2 TYR A 30 19.390 -5.125 -4.585 1.00 0.00 H new ATOM 0 HH TYR A 30 20.360 -5.070 -2.589 1.00 0.00 H new ATOM 390 N SER A 31 14.066 -6.283 -6.804 1.00 0.00 N ATOM 391 CA SER A 31 13.748 -5.016 -7.454 1.00 0.00 C ATOM 392 C SER A 31 12.469 -4.420 -6.876 1.00 0.00 C ATOM 393 O SER A 31 12.469 -3.262 -6.467 1.00 0.00 O ATOM 394 CB SER A 31 13.640 -5.178 -8.974 1.00 0.00 C ATOM 395 OG SER A 31 13.789 -3.902 -9.565 1.00 0.00 O ATOM 0 H SER A 31 14.170 -7.063 -7.452 1.00 0.00 H new ATOM 0 HA SER A 31 14.567 -4.325 -7.256 1.00 0.00 H new ATOM 0 HB2 SER A 31 14.409 -5.859 -9.340 1.00 0.00 H new ATOM 0 HB3 SER A 31 12.677 -5.612 -9.243 1.00 0.00 H new ATOM 0 HG SER A 31 13.725 -3.983 -10.540 1.00 0.00 H new ATOM 401 N ILE A 32 11.405 -5.213 -6.774 1.00 0.00 N ATOM 402 CA ILE A 32 10.129 -4.798 -6.209 1.00 0.00 C ATOM 403 C ILE A 32 10.382 -4.282 -4.789 1.00 0.00 C ATOM 404 O ILE A 32 9.953 -3.180 -4.469 1.00 0.00 O ATOM 405 CB ILE A 32 9.144 -5.990 -6.279 1.00 0.00 C ATOM 406 CG1 ILE A 32 8.817 -6.351 -7.745 1.00 0.00 C ATOM 407 CG2 ILE A 32 7.835 -5.719 -5.521 1.00 0.00 C ATOM 408 CD1 ILE A 32 8.284 -7.779 -7.883 1.00 0.00 C ATOM 0 H ILE A 32 11.409 -6.183 -7.090 1.00 0.00 H new ATOM 0 HA ILE A 32 9.669 -3.983 -6.769 1.00 0.00 H new ATOM 0 HB ILE A 32 9.646 -6.828 -5.796 1.00 0.00 H new ATOM 0 HG12 ILE A 32 8.078 -5.650 -8.134 1.00 0.00 H new ATOM 0 HG13 ILE A 32 9.714 -6.239 -8.354 1.00 0.00 H new ATOM 0 HG21 ILE A 32 7.181 -6.587 -5.603 1.00 0.00 H new ATOM 0 HG22 ILE A 32 8.056 -5.528 -4.471 1.00 0.00 H new ATOM 0 HG23 ILE A 32 7.339 -4.849 -5.951 1.00 0.00 H new ATOM 0 HD11 ILE A 32 8.068 -7.987 -8.931 1.00 0.00 H new ATOM 0 HD12 ILE A 32 9.032 -8.483 -7.520 1.00 0.00 H new ATOM 0 HD13 ILE A 32 7.371 -7.885 -7.297 1.00 0.00 H new ATOM 420 N THR A 33 11.096 -5.011 -3.928 1.00 0.00 N ATOM 421 CA THR A 33 11.335 -4.558 -2.561 1.00 0.00 C ATOM 422 C THR A 33 12.030 -3.207 -2.498 1.00 0.00 C ATOM 423 O THR A 33 11.613 -2.341 -1.737 1.00 0.00 O ATOM 424 CB THR A 33 12.081 -5.591 -1.727 1.00 0.00 C ATOM 425 OG1 THR A 33 13.379 -5.909 -2.178 1.00 0.00 O ATOM 426 CG2 THR A 33 11.303 -6.861 -1.462 1.00 0.00 C ATOM 0 H THR A 33 11.516 -5.913 -4.154 1.00 0.00 H new ATOM 0 HA THR A 33 10.345 -4.431 -2.122 1.00 0.00 H new ATOM 0 HB THR A 33 12.196 -5.062 -0.781 1.00 0.00 H new ATOM 0 HG1 THR A 33 13.397 -5.898 -3.158 1.00 0.00 H new ATOM 0 HG21 THR A 33 11.909 -7.540 -0.862 1.00 0.00 H new ATOM 0 HG22 THR A 33 10.386 -6.620 -0.924 1.00 0.00 H new ATOM 0 HG23 THR A 33 11.053 -7.339 -2.409 1.00 0.00 H new ATOM 434 N LYS A 34 13.076 -3.053 -3.300 1.00 0.00 N ATOM 435 CA LYS A 34 13.825 -1.832 -3.499 1.00 0.00 C ATOM 436 C LYS A 34 12.852 -0.740 -3.922 1.00 0.00 C ATOM 437 O LYS A 34 12.640 0.187 -3.156 1.00 0.00 O ATOM 438 CB LYS A 34 14.981 -2.098 -4.478 1.00 0.00 C ATOM 439 CG LYS A 34 15.590 -0.792 -4.995 1.00 0.00 C ATOM 440 CD LYS A 34 17.091 -0.900 -5.290 1.00 0.00 C ATOM 441 CE LYS A 34 17.900 -0.512 -4.048 1.00 0.00 C ATOM 442 NZ LYS A 34 19.348 -0.443 -4.306 1.00 0.00 N ATOM 0 H LYS A 34 13.440 -3.825 -3.858 1.00 0.00 H new ATOM 0 HA LYS A 34 14.302 -1.479 -2.585 1.00 0.00 H new ATOM 0 HB2 LYS A 34 15.751 -2.688 -3.981 1.00 0.00 H new ATOM 0 HB3 LYS A 34 14.618 -2.690 -5.319 1.00 0.00 H new ATOM 0 HG2 LYS A 34 15.069 -0.490 -5.903 1.00 0.00 H new ATOM 0 HG3 LYS A 34 15.427 -0.006 -4.258 1.00 0.00 H new ATOM 0 HD2 LYS A 34 17.338 -1.918 -5.591 1.00 0.00 H new ATOM 0 HD3 LYS A 34 17.354 -0.248 -6.123 1.00 0.00 H new ATOM 0 HE2 LYS A 34 17.555 0.455 -3.683 1.00 0.00 H new ATOM 0 HE3 LYS A 34 17.711 -1.237 -3.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 19.844 -0.177 -3.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 19.688 -1.372 -4.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 19.536 0.268 -5.041 1.00 0.00 H new ATOM 456 N ARG A 35 12.204 -0.855 -5.078 1.00 0.00 N ATOM 457 CA ARG A 35 11.340 0.171 -5.645 1.00 0.00 C ATOM 458 C ARG A 35 10.215 0.556 -4.685 1.00 0.00 C ATOM 459 O ARG A 35 9.860 1.725 -4.600 1.00 0.00 O ATOM 460 CB ARG A 35 10.819 -0.360 -6.990 1.00 0.00 C ATOM 461 CG ARG A 35 10.558 0.725 -8.044 1.00 0.00 C ATOM 462 CD ARG A 35 9.145 1.275 -7.914 1.00 0.00 C ATOM 463 NE ARG A 35 8.774 2.135 -9.054 1.00 0.00 N ATOM 464 CZ ARG A 35 9.072 3.437 -9.201 1.00 0.00 C ATOM 465 NH1 ARG A 35 9.755 4.082 -8.267 1.00 0.00 N ATOM 466 NH2 ARG A 35 8.705 4.114 -10.281 1.00 0.00 N ATOM 0 H ARG A 35 12.269 -1.689 -5.661 1.00 0.00 H new ATOM 0 HA ARG A 35 11.897 1.093 -5.810 1.00 0.00 H new ATOM 0 HB2 ARG A 35 11.542 -1.071 -7.390 1.00 0.00 H new ATOM 0 HB3 ARG A 35 9.894 -0.910 -6.816 1.00 0.00 H new ATOM 0 HG2 ARG A 35 11.280 1.533 -7.927 1.00 0.00 H new ATOM 0 HG3 ARG A 35 10.702 0.311 -9.042 1.00 0.00 H new ATOM 0 HD2 ARG A 35 8.440 0.447 -7.841 1.00 0.00 H new ATOM 0 HD3 ARG A 35 9.063 1.846 -6.989 1.00 0.00 H new ATOM 0 HE ARG A 35 8.239 1.698 -9.804 1.00 0.00 H new ATOM 0 HH11 ARG A 35 10.060 3.590 -7.427 1.00 0.00 H new ATOM 0 HH12 ARG A 35 9.976 5.070 -8.388 1.00 0.00 H new ATOM 0 HH21 ARG A 35 8.184 3.647 -11.023 1.00 0.00 H new ATOM 0 HH22 ARG A 35 8.943 5.102 -10.369 1.00 0.00 H new ATOM 480 N VAL A 36 9.672 -0.407 -3.941 1.00 0.00 N ATOM 481 CA VAL A 36 8.660 -0.178 -2.923 1.00 0.00 C ATOM 482 C VAL A 36 9.255 0.651 -1.790 1.00 0.00 C ATOM 483 O VAL A 36 8.693 1.680 -1.427 1.00 0.00 O ATOM 484 CB VAL A 36 8.123 -1.541 -2.447 1.00 0.00 C ATOM 485 CG1 VAL A 36 7.340 -1.448 -1.128 1.00 0.00 C ATOM 486 CG2 VAL A 36 7.150 -2.120 -3.493 1.00 0.00 C ATOM 0 H VAL A 36 9.933 -1.389 -4.035 1.00 0.00 H new ATOM 0 HA VAL A 36 7.820 0.390 -3.323 1.00 0.00 H new ATOM 0 HB VAL A 36 9.000 -2.172 -2.304 1.00 0.00 H new ATOM 0 HG11 VAL A 36 6.987 -2.439 -0.844 1.00 0.00 H new ATOM 0 HG12 VAL A 36 7.990 -1.056 -0.346 1.00 0.00 H new ATOM 0 HG13 VAL A 36 6.487 -0.782 -1.258 1.00 0.00 H new ATOM 0 HG21 VAL A 36 6.776 -3.084 -3.148 1.00 0.00 H new ATOM 0 HG22 VAL A 36 6.314 -1.434 -3.631 1.00 0.00 H new ATOM 0 HG23 VAL A 36 7.671 -2.252 -4.441 1.00 0.00 H new ATOM 496 N LYS A 37 10.379 0.215 -1.213 1.00 0.00 N ATOM 497 CA LYS A 37 11.048 0.968 -0.162 1.00 0.00 C ATOM 498 C LYS A 37 11.365 2.366 -0.636 1.00 0.00 C ATOM 499 O LYS A 37 11.214 3.281 0.159 1.00 0.00 O ATOM 500 CB LYS A 37 12.378 0.328 0.209 1.00 0.00 C ATOM 501 CG LYS A 37 12.250 -0.845 1.175 1.00 0.00 C ATOM 502 CD LYS A 37 13.644 -1.273 1.644 1.00 0.00 C ATOM 503 CE LYS A 37 14.569 -1.596 0.467 1.00 0.00 C ATOM 504 NZ LYS A 37 15.892 -2.041 0.943 1.00 0.00 N ATOM 0 H LYS A 37 10.842 -0.660 -1.461 1.00 0.00 H new ATOM 0 HA LYS A 37 10.373 0.981 0.694 1.00 0.00 H new ATOM 0 HB2 LYS A 37 12.871 -0.015 -0.700 1.00 0.00 H new ATOM 0 HB3 LYS A 37 13.023 1.085 0.655 1.00 0.00 H new ATOM 0 HG2 LYS A 37 11.638 -0.560 2.031 1.00 0.00 H new ATOM 0 HG3 LYS A 37 11.747 -1.679 0.687 1.00 0.00 H new ATOM 0 HD2 LYS A 37 14.085 -0.477 2.244 1.00 0.00 H new ATOM 0 HD3 LYS A 37 13.557 -2.148 2.288 1.00 0.00 H new ATOM 0 HE2 LYS A 37 14.120 -2.374 -0.151 1.00 0.00 H new ATOM 0 HE3 LYS A 37 14.683 -0.714 -0.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 16.501 -2.254 0.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 16.327 -1.288 1.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 15.782 -2.896 1.525 1.00 0.00 H new ATOM 518 N GLU A 38 11.820 2.522 -1.874 1.00 0.00 N ATOM 519 CA GLU A 38 12.176 3.803 -2.453 1.00 0.00 C ATOM 520 C GLU A 38 10.950 4.706 -2.448 1.00 0.00 C ATOM 521 O GLU A 38 11.028 5.805 -1.920 1.00 0.00 O ATOM 522 CB GLU A 38 12.740 3.634 -3.869 1.00 0.00 C ATOM 523 CG GLU A 38 14.025 2.796 -3.914 1.00 0.00 C ATOM 524 CD GLU A 38 15.190 3.573 -4.502 1.00 0.00 C ATOM 525 OE1 GLU A 38 15.363 3.508 -5.742 1.00 0.00 O ATOM 526 OE2 GLU A 38 15.966 4.173 -3.722 1.00 0.00 O ATOM 0 H GLU A 38 11.953 1.740 -2.515 1.00 0.00 H new ATOM 0 HA GLU A 38 12.961 4.264 -1.854 1.00 0.00 H new ATOM 0 HB2 GLU A 38 11.985 3.164 -4.500 1.00 0.00 H new ATOM 0 HB3 GLU A 38 12.941 4.618 -4.292 1.00 0.00 H new ATOM 0 HG2 GLU A 38 14.280 2.468 -2.906 1.00 0.00 H new ATOM 0 HG3 GLU A 38 13.852 1.898 -4.507 1.00 0.00 H new ATOM 533 N VAL A 39 9.808 4.240 -2.960 1.00 0.00 N ATOM 534 CA VAL A 39 8.559 4.997 -2.973 1.00 0.00 C ATOM 535 C VAL A 39 8.097 5.334 -1.544 1.00 0.00 C ATOM 536 O VAL A 39 7.594 6.439 -1.311 1.00 0.00 O ATOM 537 CB VAL A 39 7.521 4.211 -3.808 1.00 0.00 C ATOM 538 CG1 VAL A 39 6.091 4.728 -3.661 1.00 0.00 C ATOM 539 CG2 VAL A 39 7.885 4.290 -5.298 1.00 0.00 C ATOM 0 H VAL A 39 9.726 3.315 -3.382 1.00 0.00 H new ATOM 0 HA VAL A 39 8.698 5.967 -3.450 1.00 0.00 H new ATOM 0 HB VAL A 39 7.553 3.190 -3.428 1.00 0.00 H new ATOM 0 HG11 VAL A 39 5.422 4.127 -4.276 1.00 0.00 H new ATOM 0 HG12 VAL A 39 5.785 4.659 -2.617 1.00 0.00 H new ATOM 0 HG13 VAL A 39 6.045 5.768 -3.985 1.00 0.00 H new ATOM 0 HG21 VAL A 39 7.151 3.735 -5.882 1.00 0.00 H new ATOM 0 HG22 VAL A 39 7.889 5.332 -5.617 1.00 0.00 H new ATOM 0 HG23 VAL A 39 8.874 3.859 -5.454 1.00 0.00 H new ATOM 549 N LEU A 40 8.259 4.434 -0.568 1.00 0.00 N ATOM 550 CA LEU A 40 7.900 4.729 0.822 1.00 0.00 C ATOM 551 C LEU A 40 8.853 5.771 1.396 1.00 0.00 C ATOM 552 O LEU A 40 8.411 6.753 1.981 1.00 0.00 O ATOM 553 CB LEU A 40 7.880 3.459 1.694 1.00 0.00 C ATOM 554 CG LEU A 40 6.779 2.462 1.295 1.00 0.00 C ATOM 555 CD1 LEU A 40 6.978 1.160 2.074 1.00 0.00 C ATOM 556 CD2 LEU A 40 5.378 3.006 1.577 1.00 0.00 C ATOM 0 H LEU A 40 8.636 3.498 -0.715 1.00 0.00 H new ATOM 0 HA LEU A 40 6.888 5.133 0.829 1.00 0.00 H new ATOM 0 HB2 LEU A 40 8.849 2.965 1.626 1.00 0.00 H new ATOM 0 HB3 LEU A 40 7.741 3.745 2.737 1.00 0.00 H new ATOM 0 HG LEU A 40 6.858 2.289 0.222 1.00 0.00 H new ATOM 0 HD11 LEU A 40 6.201 0.448 1.797 1.00 0.00 H new ATOM 0 HD12 LEU A 40 7.956 0.741 1.838 1.00 0.00 H new ATOM 0 HD13 LEU A 40 6.919 1.363 3.143 1.00 0.00 H new ATOM 0 HD21 LEU A 40 4.634 2.267 1.279 1.00 0.00 H new ATOM 0 HD22 LEU A 40 5.276 3.214 2.642 1.00 0.00 H new ATOM 0 HD23 LEU A 40 5.224 3.925 1.011 1.00 0.00 H new ATOM 568 N THR A 41 10.152 5.568 1.215 1.00 0.00 N ATOM 569 CA THR A 41 11.229 6.437 1.645 1.00 0.00 C ATOM 570 C THR A 41 10.992 7.845 1.115 1.00 0.00 C ATOM 571 O THR A 41 11.020 8.802 1.890 1.00 0.00 O ATOM 572 CB THR A 41 12.548 5.832 1.142 1.00 0.00 C ATOM 573 OG1 THR A 41 12.816 4.646 1.861 1.00 0.00 O ATOM 574 CG2 THR A 41 13.721 6.784 1.264 1.00 0.00 C ATOM 0 H THR A 41 10.498 4.738 0.733 1.00 0.00 H new ATOM 0 HA THR A 41 11.274 6.514 2.731 1.00 0.00 H new ATOM 0 HB THR A 41 12.427 5.621 0.080 1.00 0.00 H new ATOM 0 HG1 THR A 41 12.344 3.896 1.442 1.00 0.00 H new ATOM 0 HG21 THR A 41 14.624 6.299 0.893 1.00 0.00 H new ATOM 0 HG22 THR A 41 13.524 7.681 0.677 1.00 0.00 H new ATOM 0 HG23 THR A 41 13.860 7.058 2.310 1.00 0.00 H new ATOM 582 N ASP A 42 10.726 7.933 -0.187 1.00 0.00 N ATOM 583 CA ASP A 42 10.485 9.132 -0.961 1.00 0.00 C ATOM 584 C ASP A 42 9.406 9.954 -0.292 1.00 0.00 C ATOM 585 O ASP A 42 9.601 11.148 -0.085 1.00 0.00 O ATOM 586 CB ASP A 42 10.003 8.763 -2.373 1.00 0.00 C ATOM 587 CG ASP A 42 11.092 8.566 -3.419 1.00 0.00 C ATOM 588 OD1 ASP A 42 12.200 9.133 -3.300 1.00 0.00 O ATOM 589 OD2 ASP A 42 10.799 7.936 -4.465 1.00 0.00 O ATOM 0 H ASP A 42 10.671 7.096 -0.767 1.00 0.00 H new ATOM 0 HA ASP A 42 11.414 9.699 -1.024 1.00 0.00 H new ATOM 0 HB2 ASP A 42 9.419 7.845 -2.308 1.00 0.00 H new ATOM 0 HB3 ASP A 42 9.329 9.546 -2.722 1.00 0.00 H new ATOM 594 N ASN A 43 8.272 9.332 0.032 1.00 0.00 N ATOM 595 CA ASN A 43 7.105 10.019 0.574 1.00 0.00 C ATOM 596 C ASN A 43 7.220 10.282 2.077 1.00 0.00 C ATOM 597 O ASN A 43 6.262 10.776 2.675 1.00 0.00 O ATOM 598 CB ASN A 43 5.829 9.238 0.223 1.00 0.00 C ATOM 599 CG ASN A 43 5.493 9.447 -1.239 1.00 0.00 C ATOM 600 OD1 ASN A 43 4.739 10.359 -1.549 1.00 0.00 O ATOM 601 ND2 ASN A 43 6.006 8.620 -2.137 1.00 0.00 N ATOM 0 H ASN A 43 8.139 8.327 -0.077 1.00 0.00 H new ATOM 0 HA ASN A 43 7.050 11.003 0.108 1.00 0.00 H new ATOM 0 HB2 ASN A 43 5.973 8.177 0.426 1.00 0.00 H new ATOM 0 HB3 ASN A 43 5.002 9.573 0.848 1.00 0.00 H new ATOM 0 HD21 ASN A 43 5.776 8.732 -3.124 1.00 0.00 H new ATOM 0 HD22 ASN A 43 6.632 7.871 -1.841 1.00 0.00 H new ATOM 608 N ASN A 44 8.359 9.929 2.690 1.00 0.00 N ATOM 609 CA ASN A 44 8.542 9.750 4.131 1.00 0.00 C ATOM 610 C ASN A 44 7.370 8.963 4.740 1.00 0.00 C ATOM 611 O ASN A 44 6.856 9.282 5.814 1.00 0.00 O ATOM 612 CB ASN A 44 8.843 11.089 4.835 1.00 0.00 C ATOM 613 CG ASN A 44 9.362 10.884 6.259 1.00 0.00 C ATOM 614 OD1 ASN A 44 9.692 9.772 6.674 1.00 0.00 O ATOM 615 ND2 ASN A 44 9.499 11.933 7.051 1.00 0.00 N ATOM 0 H ASN A 44 9.216 9.753 2.166 1.00 0.00 H new ATOM 0 HA ASN A 44 9.428 9.138 4.300 1.00 0.00 H new ATOM 0 HB2 ASN A 44 9.581 11.645 4.257 1.00 0.00 H new ATOM 0 HB3 ASN A 44 7.938 11.695 4.863 1.00 0.00 H new ATOM 0 HD21 ASN A 44 9.874 11.816 7.992 1.00 0.00 H new ATOM 0 HD22 ASN A 44 9.230 12.860 6.721 1.00 0.00 H new ATOM 622 N LEU A 45 6.905 7.942 4.017 1.00 0.00 N ATOM 623 CA LEU A 45 5.860 7.020 4.424 1.00 0.00 C ATOM 624 C LEU A 45 6.496 5.818 5.109 1.00 0.00 C ATOM 625 O LEU A 45 7.696 5.560 4.973 1.00 0.00 O ATOM 626 CB LEU A 45 5.033 6.608 3.193 1.00 0.00 C ATOM 627 CG LEU A 45 3.893 7.593 2.880 1.00 0.00 C ATOM 628 CD1 LEU A 45 3.224 7.181 1.578 1.00 0.00 C ATOM 629 CD2 LEU A 45 2.764 7.614 3.904 1.00 0.00 C ATOM 0 H LEU A 45 7.269 7.732 3.088 1.00 0.00 H new ATOM 0 HA LEU A 45 5.184 7.496 5.134 1.00 0.00 H new ATOM 0 HB2 LEU A 45 5.691 6.535 2.327 1.00 0.00 H new ATOM 0 HB3 LEU A 45 4.614 5.616 3.359 1.00 0.00 H new ATOM 0 HG LEU A 45 4.373 8.572 2.859 1.00 0.00 H new ATOM 0 HD11 LEU A 45 2.415 7.875 1.349 1.00 0.00 H new ATOM 0 HD12 LEU A 45 3.956 7.199 0.771 1.00 0.00 H new ATOM 0 HD13 LEU A 45 2.821 6.173 1.679 1.00 0.00 H new ATOM 0 HD21 LEU A 45 2.008 8.338 3.598 1.00 0.00 H new ATOM 0 HD22 LEU A 45 2.313 6.624 3.969 1.00 0.00 H new ATOM 0 HD23 LEU A 45 3.162 7.896 4.879 1.00 0.00 H new ATOM 641 N GLY A 46 5.685 5.073 5.853 1.00 0.00 N ATOM 642 CA GLY A 46 6.133 3.998 6.711 1.00 0.00 C ATOM 643 C GLY A 46 5.882 2.635 6.092 1.00 0.00 C ATOM 644 O GLY A 46 4.809 2.397 5.523 1.00 0.00 O ATOM 0 H GLY A 46 4.674 5.209 5.872 1.00 0.00 H new ATOM 0 HA2 GLY A 46 7.198 4.114 6.912 1.00 0.00 H new ATOM 0 HA3 GLY A 46 5.619 4.061 7.670 1.00 0.00 H new ATOM 648 N GLN A 47 6.836 1.722 6.291 1.00 0.00 N ATOM 649 CA GLN A 47 6.685 0.315 5.951 1.00 0.00 C ATOM 650 C GLN A 47 5.507 -0.297 6.712 1.00 0.00 C ATOM 651 O GLN A 47 4.829 -1.136 6.130 1.00 0.00 O ATOM 652 CB GLN A 47 7.985 -0.469 6.224 1.00 0.00 C ATOM 653 CG GLN A 47 9.017 -0.257 5.106 1.00 0.00 C ATOM 654 CD GLN A 47 10.420 -0.756 5.430 1.00 0.00 C ATOM 655 OE1 GLN A 47 10.592 -2.004 5.824 1.00 0.00 O flip ATOM 656 NE2 GLN A 47 11.392 -0.019 5.305 1.00 0.00 N flip ATOM 0 H GLN A 47 7.744 1.947 6.698 1.00 0.00 H new ATOM 0 HA GLN A 47 6.477 0.246 4.883 1.00 0.00 H new ATOM 0 HB2 GLN A 47 8.409 -0.152 7.177 1.00 0.00 H new ATOM 0 HB3 GLN A 47 7.758 -1.531 6.314 1.00 0.00 H new ATOM 0 HG2 GLN A 47 8.666 -0.761 4.206 1.00 0.00 H new ATOM 0 HG3 GLN A 47 9.069 0.807 4.875 1.00 0.00 H new ATOM 0 HE21 GLN A 47 11.264 0.946 5.001 1.00 0.00 H new ATOM 0 HE22 GLN A 47 12.328 -0.371 5.505 1.00 0.00 H new ATOM 665 N ARG A 48 5.229 0.114 7.966 1.00 0.00 N ATOM 666 CA ARG A 48 4.146 -0.506 8.736 1.00 0.00 C ATOM 667 C ARG A 48 2.824 -0.361 7.998 1.00 0.00 C ATOM 668 O ARG A 48 2.203 -1.363 7.672 1.00 0.00 O ATOM 669 CB ARG A 48 4.003 0.001 10.185 1.00 0.00 C ATOM 670 CG ARG A 48 2.999 -0.917 10.920 1.00 0.00 C ATOM 671 CD ARG A 48 2.574 -0.447 12.312 1.00 0.00 C ATOM 672 NE ARG A 48 2.174 -1.603 13.133 1.00 0.00 N ATOM 673 CZ ARG A 48 2.967 -2.299 13.953 1.00 0.00 C ATOM 674 NH1 ARG A 48 4.165 -1.827 14.288 1.00 0.00 N ATOM 675 NH2 ARG A 48 2.539 -3.473 14.398 1.00 0.00 N ATOM 0 H ARG A 48 5.730 0.857 8.454 1.00 0.00 H new ATOM 0 HA ARG A 48 4.423 -1.557 8.823 1.00 0.00 H new ATOM 0 HB2 ARG A 48 4.969 -0.011 10.689 1.00 0.00 H new ATOM 0 HB3 ARG A 48 3.652 1.033 10.194 1.00 0.00 H new ATOM 0 HG2 ARG A 48 2.107 -1.019 10.302 1.00 0.00 H new ATOM 0 HG3 ARG A 48 3.440 -1.910 11.010 1.00 0.00 H new ATOM 0 HD2 ARG A 48 3.396 0.084 12.792 1.00 0.00 H new ATOM 0 HD3 ARG A 48 1.745 0.256 12.230 1.00 0.00 H new ATOM 0 HE ARG A 48 1.200 -1.900 13.070 1.00 0.00 H new ATOM 0 HH11 ARG A 48 4.481 -0.930 13.919 1.00 0.00 H new ATOM 0 HH12 ARG A 48 4.767 -2.362 14.914 1.00 0.00 H new ATOM 0 HH21 ARG A 48 1.625 -3.824 14.113 1.00 0.00 H new ATOM 0 HH22 ARG A 48 3.124 -4.025 15.025 1.00 0.00 H new ATOM 689 N LEU A 49 2.403 0.880 7.754 1.00 0.00 N ATOM 690 CA LEU A 49 1.143 1.221 7.116 1.00 0.00 C ATOM 691 C LEU A 49 1.016 0.448 5.811 1.00 0.00 C ATOM 692 O LEU A 49 0.032 -0.236 5.581 1.00 0.00 O ATOM 693 CB LEU A 49 1.152 2.732 6.853 1.00 0.00 C ATOM 694 CG LEU A 49 -0.192 3.433 7.029 1.00 0.00 C ATOM 695 CD1 LEU A 49 0.069 4.936 6.900 1.00 0.00 C ATOM 696 CD2 LEU A 49 -1.270 3.010 6.047 1.00 0.00 C ATOM 0 H LEU A 49 2.954 1.701 8.006 1.00 0.00 H new ATOM 0 HA LEU A 49 0.295 0.960 7.749 1.00 0.00 H new ATOM 0 HB2 LEU A 49 1.876 3.196 7.523 1.00 0.00 H new ATOM 0 HB3 LEU A 49 1.503 2.905 5.836 1.00 0.00 H new ATOM 0 HG LEU A 49 -0.586 3.152 8.006 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -0.868 5.480 7.020 1.00 0.00 H new ATOM 0 HD12 LEU A 49 0.772 5.251 7.671 1.00 0.00 H new ATOM 0 HD13 LEU A 49 0.489 5.149 5.917 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -2.187 3.563 6.252 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -0.939 3.221 5.030 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -1.459 1.942 6.152 1.00 0.00 H new ATOM 708 N PHE A 50 2.044 0.523 4.966 1.00 0.00 N ATOM 709 CA PHE A 50 2.093 -0.214 3.710 1.00 0.00 C ATOM 710 C PHE A 50 1.820 -1.711 3.914 1.00 0.00 C ATOM 711 O PHE A 50 0.975 -2.286 3.226 1.00 0.00 O ATOM 712 CB PHE A 50 3.454 0.022 3.049 1.00 0.00 C ATOM 713 CG PHE A 50 3.729 -0.880 1.865 1.00 0.00 C ATOM 714 CD1 PHE A 50 3.201 -0.567 0.599 1.00 0.00 C ATOM 715 CD2 PHE A 50 4.476 -2.062 2.045 1.00 0.00 C ATOM 716 CE1 PHE A 50 3.423 -1.433 -0.483 1.00 0.00 C ATOM 717 CE2 PHE A 50 4.696 -2.927 0.961 1.00 0.00 C ATOM 718 CZ PHE A 50 4.172 -2.605 -0.303 1.00 0.00 C ATOM 0 H PHE A 50 2.868 1.100 5.137 1.00 0.00 H new ATOM 0 HA PHE A 50 1.304 0.153 3.054 1.00 0.00 H new ATOM 0 HB2 PHE A 50 3.513 1.060 2.723 1.00 0.00 H new ATOM 0 HB3 PHE A 50 4.238 -0.123 3.793 1.00 0.00 H new ATOM 0 HD1 PHE A 50 2.627 0.337 0.460 1.00 0.00 H new ATOM 0 HD2 PHE A 50 4.879 -2.302 3.018 1.00 0.00 H new ATOM 0 HE1 PHE A 50 3.017 -1.197 -1.455 1.00 0.00 H new ATOM 0 HE2 PHE A 50 5.265 -3.835 1.098 1.00 0.00 H new ATOM 0 HZ PHE A 50 4.347 -3.264 -1.140 1.00 0.00 H new ATOM 728 N GLY A 51 2.508 -2.340 4.867 1.00 0.00 N ATOM 729 CA GLY A 51 2.354 -3.758 5.138 1.00 0.00 C ATOM 730 C GLY A 51 1.031 -4.092 5.806 1.00 0.00 C ATOM 731 O GLY A 51 0.568 -5.208 5.643 1.00 0.00 O ATOM 0 H GLY A 51 3.187 -1.875 5.470 1.00 0.00 H new ATOM 0 HA2 GLY A 51 2.433 -4.312 4.203 1.00 0.00 H new ATOM 0 HA3 GLY A 51 3.172 -4.092 5.776 1.00 0.00 H new ATOM 735 N GLU A 52 0.404 -3.171 6.530 1.00 0.00 N ATOM 736 CA GLU A 52 -0.900 -3.373 7.150 1.00 0.00 C ATOM 737 C GLU A 52 -2.004 -3.220 6.097 1.00 0.00 C ATOM 738 O GLU A 52 -2.937 -4.024 6.040 1.00 0.00 O ATOM 739 CB GLU A 52 -1.066 -2.359 8.292 1.00 0.00 C ATOM 740 CG GLU A 52 -0.408 -2.841 9.592 1.00 0.00 C ATOM 741 CD GLU A 52 -1.054 -4.083 10.215 1.00 0.00 C ATOM 742 OE1 GLU A 52 -2.248 -4.367 9.939 1.00 0.00 O ATOM 743 OE2 GLU A 52 -0.396 -4.728 11.052 1.00 0.00 O ATOM 0 H GLU A 52 0.796 -2.246 6.705 1.00 0.00 H new ATOM 0 HA GLU A 52 -0.974 -4.379 7.563 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -0.628 -1.406 7.996 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -2.127 -2.182 8.467 1.00 0.00 H new ATOM 0 HG2 GLU A 52 0.642 -3.055 9.394 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -0.436 -2.030 10.320 1.00 0.00 H new ATOM 750 N SER A 53 -1.922 -2.182 5.266 1.00 0.00 N ATOM 751 CA SER A 53 -2.874 -1.858 4.221 1.00 0.00 C ATOM 752 C SER A 53 -2.829 -2.913 3.120 1.00 0.00 C ATOM 753 O SER A 53 -3.809 -3.631 2.917 1.00 0.00 O ATOM 754 CB SER A 53 -2.548 -0.473 3.652 1.00 0.00 C ATOM 755 OG SER A 53 -2.892 0.569 4.539 1.00 0.00 O ATOM 0 H SER A 53 -1.151 -1.516 5.311 1.00 0.00 H new ATOM 0 HA SER A 53 -3.881 -1.845 4.638 1.00 0.00 H new ATOM 0 HB2 SER A 53 -1.483 -0.418 3.427 1.00 0.00 H new ATOM 0 HB3 SER A 53 -3.080 -0.336 2.711 1.00 0.00 H new ATOM 0 HG SER A 53 -3.814 0.445 4.847 1.00 0.00 H new ATOM 761 N ILE A 54 -1.719 -2.962 2.381 1.00 0.00 N ATOM 762 CA ILE A 54 -1.611 -3.715 1.140 1.00 0.00 C ATOM 763 C ILE A 54 -1.420 -5.182 1.487 1.00 0.00 C ATOM 764 O ILE A 54 -2.047 -6.055 0.889 1.00 0.00 O ATOM 765 CB ILE A 54 -0.433 -3.180 0.287 1.00 0.00 C ATOM 766 CG1 ILE A 54 -0.436 -1.646 0.132 1.00 0.00 C ATOM 767 CG2 ILE A 54 -0.387 -3.843 -1.103 1.00 0.00 C ATOM 768 CD1 ILE A 54 -1.731 -1.045 -0.429 1.00 0.00 C ATOM 0 H ILE A 54 -0.861 -2.472 2.635 1.00 0.00 H new ATOM 0 HA ILE A 54 -2.518 -3.600 0.547 1.00 0.00 H new ATOM 0 HB ILE A 54 0.466 -3.449 0.842 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -0.240 -1.199 1.107 1.00 0.00 H new ATOM 0 HG13 ILE A 54 0.389 -1.362 -0.521 1.00 0.00 H new ATOM 0 HG21 ILE A 54 0.453 -3.441 -1.670 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -0.265 -4.920 -0.989 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -1.316 -3.637 -1.635 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -1.629 0.038 -0.498 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -1.923 -1.456 -1.420 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -2.562 -1.290 0.232 1.00 0.00 H new ATOM 780 N LEU A 55 -0.499 -5.478 2.405 1.00 0.00 N ATOM 781 CA LEU A 55 -0.116 -6.862 2.635 1.00 0.00 C ATOM 782 C LEU A 55 -1.095 -7.535 3.598 1.00 0.00 C ATOM 783 O LEU A 55 -2.028 -8.198 3.140 1.00 0.00 O ATOM 784 CB LEU A 55 1.390 -6.981 2.912 1.00 0.00 C ATOM 785 CG LEU A 55 2.217 -6.404 1.734 1.00 0.00 C ATOM 786 CD1 LEU A 55 3.703 -6.646 1.968 1.00 0.00 C ATOM 787 CD2 LEU A 55 1.824 -6.978 0.363 1.00 0.00 C ATOM 0 H LEU A 55 -0.017 -4.793 2.987 1.00 0.00 H new ATOM 0 HA LEU A 55 -0.223 -7.463 1.732 1.00 0.00 H new ATOM 0 HB2 LEU A 55 1.638 -6.449 3.830 1.00 0.00 H new ATOM 0 HB3 LEU A 55 1.653 -8.027 3.068 1.00 0.00 H new ATOM 0 HG LEU A 55 1.997 -5.337 1.709 1.00 0.00 H new ATOM 0 HD11 LEU A 55 4.274 -6.237 1.135 1.00 0.00 H new ATOM 0 HD12 LEU A 55 4.010 -6.158 2.893 1.00 0.00 H new ATOM 0 HD13 LEU A 55 3.890 -7.717 2.044 1.00 0.00 H new ATOM 0 HD21 LEU A 55 2.445 -6.528 -0.412 1.00 0.00 H new ATOM 0 HD22 LEU A 55 1.972 -8.058 0.365 1.00 0.00 H new ATOM 0 HD23 LEU A 55 0.776 -6.756 0.162 1.00 0.00 H new ATOM 799 N GLY A 56 -0.946 -7.307 4.892 1.00 0.00 N ATOM 800 CA GLY A 56 -1.629 -7.974 5.991 1.00 0.00 C ATOM 801 C GLY A 56 -0.634 -8.377 7.082 1.00 0.00 C ATOM 802 O GLY A 56 -0.899 -9.322 7.832 1.00 0.00 O ATOM 0 H GLY A 56 -0.295 -6.597 5.228 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -2.387 -7.312 6.410 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -2.148 -8.858 5.620 1.00 0.00 H new ATOM 806 N LEU A 57 0.520 -7.702 7.161 1.00 0.00 N ATOM 807 CA LEU A 57 1.678 -8.090 7.949 1.00 0.00 C ATOM 808 C LEU A 57 2.001 -6.974 8.925 1.00 0.00 C ATOM 809 O LEU A 57 1.834 -5.800 8.594 1.00 0.00 O ATOM 810 CB LEU A 57 2.876 -8.278 7.007 1.00 0.00 C ATOM 811 CG LEU A 57 2.700 -9.424 5.998 1.00 0.00 C ATOM 812 CD1 LEU A 57 3.770 -9.287 4.918 1.00 0.00 C ATOM 813 CD2 LEU A 57 2.791 -10.801 6.662 1.00 0.00 C ATOM 0 H LEU A 57 0.670 -6.832 6.651 1.00 0.00 H new ATOM 0 HA LEU A 57 1.472 -9.015 8.488 1.00 0.00 H new ATOM 0 HB2 LEU A 57 3.046 -7.350 6.462 1.00 0.00 H new ATOM 0 HB3 LEU A 57 3.769 -8.466 7.603 1.00 0.00 H new ATOM 0 HG LEU A 57 1.704 -9.351 5.562 1.00 0.00 H new ATOM 0 HD11 LEU A 57 3.660 -10.093 4.193 1.00 0.00 H new ATOM 0 HD12 LEU A 57 3.657 -8.327 4.414 1.00 0.00 H new ATOM 0 HD13 LEU A 57 4.758 -9.343 5.375 1.00 0.00 H new ATOM 0 HD21 LEU A 57 2.660 -11.578 5.908 1.00 0.00 H new ATOM 0 HD22 LEU A 57 3.767 -10.914 7.134 1.00 0.00 H new ATOM 0 HD23 LEU A 57 2.010 -10.893 7.417 1.00 0.00 H new ATOM 825 N THR A 58 2.553 -7.340 10.076 1.00 0.00 N ATOM 826 CA THR A 58 3.026 -6.398 11.084 1.00 0.00 C ATOM 827 C THR A 58 4.365 -5.780 10.650 1.00 0.00 C ATOM 828 O THR A 58 5.013 -6.291 9.731 1.00 0.00 O ATOM 829 CB THR A 58 3.158 -7.142 12.422 1.00 0.00 C ATOM 830 OG1 THR A 58 3.983 -8.280 12.277 1.00 0.00 O ATOM 831 CG2 THR A 58 1.804 -7.604 12.968 1.00 0.00 C ATOM 0 H THR A 58 2.687 -8.316 10.340 1.00 0.00 H new ATOM 0 HA THR A 58 2.315 -5.580 11.199 1.00 0.00 H new ATOM 0 HB THR A 58 3.598 -6.433 13.124 1.00 0.00 H new ATOM 0 HG1 THR A 58 4.058 -8.742 13.138 1.00 0.00 H new ATOM 0 HG21 THR A 58 1.952 -8.124 13.914 1.00 0.00 H new ATOM 0 HG22 THR A 58 1.161 -6.738 13.126 1.00 0.00 H new ATOM 0 HG23 THR A 58 1.334 -8.279 12.252 1.00 0.00 H new ATOM 839 N GLN A 59 4.824 -4.720 11.337 1.00 0.00 N ATOM 840 CA GLN A 59 6.041 -4.004 10.947 1.00 0.00 C ATOM 841 C GLN A 59 7.228 -4.952 10.897 1.00 0.00 C ATOM 842 O GLN A 59 7.977 -4.891 9.930 1.00 0.00 O ATOM 843 CB GLN A 59 6.346 -2.822 11.885 1.00 0.00 C ATOM 844 CG GLN A 59 7.455 -1.862 11.396 1.00 0.00 C ATOM 845 CD GLN A 59 8.905 -2.359 11.536 1.00 0.00 C ATOM 846 OE1 GLN A 59 9.244 -3.190 12.372 1.00 0.00 O ATOM 847 NE2 GLN A 59 9.825 -1.835 10.745 1.00 0.00 N ATOM 0 H GLN A 59 4.366 -4.343 12.167 1.00 0.00 H new ATOM 0 HA GLN A 59 5.866 -3.597 9.951 1.00 0.00 H new ATOM 0 HB2 GLN A 59 5.430 -2.249 12.031 1.00 0.00 H new ATOM 0 HB3 GLN A 59 6.633 -3.217 12.859 1.00 0.00 H new ATOM 0 HG2 GLN A 59 7.272 -1.636 10.346 1.00 0.00 H new ATOM 0 HG3 GLN A 59 7.361 -0.925 11.945 1.00 0.00 H new ATOM 0 HE21 GLN A 59 9.561 -1.143 10.044 1.00 0.00 H new ATOM 0 HE22 GLN A 59 10.799 -2.123 10.835 1.00 0.00 H new ATOM 856 N GLY A 60 7.417 -5.807 11.906 1.00 0.00 N ATOM 857 CA GLY A 60 8.565 -6.696 11.944 1.00 0.00 C ATOM 858 C GLY A 60 8.531 -7.669 10.778 1.00 0.00 C ATOM 859 O GLY A 60 9.544 -7.860 10.110 1.00 0.00 O ATOM 0 H GLY A 60 6.787 -5.897 12.703 1.00 0.00 H new ATOM 0 HA2 GLY A 60 9.485 -6.112 11.910 1.00 0.00 H new ATOM 0 HA3 GLY A 60 8.573 -7.248 12.884 1.00 0.00 H new ATOM 863 N SER A 61 7.359 -8.236 10.513 1.00 0.00 N ATOM 864 CA SER A 61 7.124 -9.213 9.466 1.00 0.00 C ATOM 865 C SER A 61 7.370 -8.608 8.081 1.00 0.00 C ATOM 866 O SER A 61 8.021 -9.235 7.240 1.00 0.00 O ATOM 867 CB SER A 61 5.693 -9.734 9.633 1.00 0.00 C ATOM 868 OG SER A 61 5.502 -10.134 10.980 1.00 0.00 O ATOM 0 H SER A 61 6.517 -8.016 11.045 1.00 0.00 H new ATOM 0 HA SER A 61 7.823 -10.045 9.551 1.00 0.00 H new ATOM 0 HB2 SER A 61 4.976 -8.958 9.365 1.00 0.00 H new ATOM 0 HB3 SER A 61 5.518 -10.575 8.962 1.00 0.00 H new ATOM 0 HG SER A 61 4.867 -9.527 11.415 1.00 0.00 H new ATOM 874 N VAL A 62 6.888 -7.384 7.842 1.00 0.00 N ATOM 875 CA VAL A 62 7.108 -6.692 6.580 1.00 0.00 C ATOM 876 C VAL A 62 8.546 -6.175 6.484 1.00 0.00 C ATOM 877 O VAL A 62 9.104 -6.133 5.385 1.00 0.00 O ATOM 878 CB VAL A 62 6.046 -5.581 6.397 1.00 0.00 C ATOM 879 CG1 VAL A 62 6.536 -4.145 6.635 1.00 0.00 C ATOM 880 CG2 VAL A 62 5.478 -5.678 4.982 1.00 0.00 C ATOM 0 H VAL A 62 6.338 -6.853 8.517 1.00 0.00 H new ATOM 0 HA VAL A 62 6.985 -7.391 5.753 1.00 0.00 H new ATOM 0 HB VAL A 62 5.298 -5.763 7.168 1.00 0.00 H new ATOM 0 HG11 VAL A 62 5.712 -3.449 6.480 1.00 0.00 H new ATOM 0 HG12 VAL A 62 6.903 -4.051 7.657 1.00 0.00 H new ATOM 0 HG13 VAL A 62 7.341 -3.915 5.937 1.00 0.00 H new ATOM 0 HG21 VAL A 62 4.727 -4.901 4.837 1.00 0.00 H new ATOM 0 HG22 VAL A 62 6.282 -5.546 4.258 1.00 0.00 H new ATOM 0 HG23 VAL A 62 5.019 -6.657 4.840 1.00 0.00 H new ATOM 890 N SER A 63 9.151 -5.779 7.611 1.00 0.00 N ATOM 891 CA SER A 63 10.531 -5.339 7.662 1.00 0.00 C ATOM 892 C SER A 63 11.375 -6.501 7.181 1.00 0.00 C ATOM 893 O SER A 63 12.143 -6.299 6.255 1.00 0.00 O ATOM 894 CB SER A 63 10.950 -4.847 9.057 1.00 0.00 C ATOM 895 OG SER A 63 12.219 -4.219 8.981 1.00 0.00 O ATOM 0 H SER A 63 8.682 -5.759 8.517 1.00 0.00 H new ATOM 0 HA SER A 63 10.673 -4.470 7.020 1.00 0.00 H new ATOM 0 HB2 SER A 63 10.210 -4.147 9.444 1.00 0.00 H new ATOM 0 HB3 SER A 63 10.990 -5.686 9.752 1.00 0.00 H new ATOM 0 HG SER A 63 12.482 -3.905 9.871 1.00 0.00 H new ATOM 901 N ASP A 64 11.185 -7.708 7.724 1.00 0.00 N ATOM 902 CA ASP A 64 11.920 -8.909 7.329 1.00 0.00 C ATOM 903 C ASP A 64 11.694 -9.244 5.857 1.00 0.00 C ATOM 904 O ASP A 64 12.660 -9.545 5.155 1.00 0.00 O ATOM 905 CB ASP A 64 11.534 -10.094 8.218 1.00 0.00 C ATOM 906 CG ASP A 64 12.763 -10.964 8.464 1.00 0.00 C ATOM 907 OD1 ASP A 64 13.520 -10.618 9.413 1.00 0.00 O ATOM 908 OD2 ASP A 64 13.001 -11.947 7.738 1.00 0.00 O ATOM 0 H ASP A 64 10.503 -7.878 8.463 1.00 0.00 H new ATOM 0 HA ASP A 64 12.983 -8.706 7.463 1.00 0.00 H new ATOM 0 HB2 ASP A 64 11.132 -9.736 9.166 1.00 0.00 H new ATOM 0 HB3 ASP A 64 10.749 -10.681 7.741 1.00 0.00 H new ATOM 913 N LEU A 65 10.451 -9.113 5.362 1.00 0.00 N ATOM 914 CA LEU A 65 10.127 -9.366 3.961 1.00 0.00 C ATOM 915 C LEU A 65 10.964 -8.475 3.053 1.00 0.00 C ATOM 916 O LEU A 65 11.506 -8.936 2.049 1.00 0.00 O ATOM 917 CB LEU A 65 8.627 -9.144 3.674 1.00 0.00 C ATOM 918 CG LEU A 65 8.162 -10.055 2.524 1.00 0.00 C ATOM 919 CD1 LEU A 65 7.925 -11.458 3.081 1.00 0.00 C ATOM 920 CD2 LEU A 65 6.868 -9.570 1.867 1.00 0.00 C ATOM 0 H LEU A 65 9.650 -8.829 5.926 1.00 0.00 H new ATOM 0 HA LEU A 65 10.359 -10.411 3.756 1.00 0.00 H new ATOM 0 HB2 LEU A 65 8.044 -9.353 4.571 1.00 0.00 H new ATOM 0 HB3 LEU A 65 8.450 -8.100 3.414 1.00 0.00 H new ATOM 0 HG LEU A 65 8.942 -10.045 1.762 1.00 0.00 H new ATOM 0 HD11 LEU A 65 7.595 -12.117 2.278 1.00 0.00 H new ATOM 0 HD12 LEU A 65 8.852 -11.842 3.507 1.00 0.00 H new ATOM 0 HD13 LEU A 65 7.159 -11.417 3.856 1.00 0.00 H new ATOM 0 HD21 LEU A 65 6.590 -10.252 1.064 1.00 0.00 H new ATOM 0 HD22 LEU A 65 6.071 -9.541 2.610 1.00 0.00 H new ATOM 0 HD23 LEU A 65 7.020 -8.571 1.458 1.00 0.00 H new ATOM 932 N LEU A 66 11.069 -7.194 3.410 1.00 0.00 N ATOM 933 CA LEU A 66 11.857 -6.223 2.678 1.00 0.00 C ATOM 934 C LEU A 66 13.350 -6.425 2.936 1.00 0.00 C ATOM 935 O LEU A 66 14.162 -6.283 2.029 1.00 0.00 O ATOM 936 CB LEU A 66 11.352 -4.812 3.049 1.00 0.00 C ATOM 937 CG LEU A 66 9.935 -4.529 2.496 1.00 0.00 C ATOM 938 CD1 LEU A 66 9.400 -3.176 2.958 1.00 0.00 C ATOM 939 CD2 LEU A 66 9.944 -4.547 0.971 1.00 0.00 C ATOM 0 H LEU A 66 10.600 -6.805 4.228 1.00 0.00 H new ATOM 0 HA LEU A 66 11.733 -6.354 1.603 1.00 0.00 H new ATOM 0 HB2 LEU A 66 11.344 -4.705 4.134 1.00 0.00 H new ATOM 0 HB3 LEU A 66 12.046 -4.067 2.661 1.00 0.00 H new ATOM 0 HG LEU A 66 9.286 -5.315 2.882 1.00 0.00 H new ATOM 0 HD11 LEU A 66 8.403 -3.019 2.546 1.00 0.00 H new ATOM 0 HD12 LEU A 66 9.350 -3.157 4.047 1.00 0.00 H new ATOM 0 HD13 LEU A 66 10.064 -2.384 2.611 1.00 0.00 H new ATOM 0 HD21 LEU A 66 8.939 -4.346 0.599 1.00 0.00 H new ATOM 0 HD22 LEU A 66 10.627 -3.782 0.602 1.00 0.00 H new ATOM 0 HD23 LEU A 66 10.272 -5.526 0.621 1.00 0.00 H new ATOM 951 N SER A 67 13.740 -6.751 4.150 1.00 0.00 N ATOM 952 CA SER A 67 15.117 -7.010 4.557 1.00 0.00 C ATOM 953 C SER A 67 15.723 -8.045 3.619 1.00 0.00 C ATOM 954 O SER A 67 16.733 -7.782 2.965 1.00 0.00 O ATOM 955 CB SER A 67 15.176 -7.475 6.021 1.00 0.00 C ATOM 956 OG SER A 67 16.065 -6.680 6.777 1.00 0.00 O ATOM 0 H SER A 67 13.079 -6.849 4.921 1.00 0.00 H new ATOM 0 HA SER A 67 15.697 -6.090 4.491 1.00 0.00 H new ATOM 0 HB2 SER A 67 14.179 -7.428 6.460 1.00 0.00 H new ATOM 0 HB3 SER A 67 15.493 -8.517 6.061 1.00 0.00 H new ATOM 0 HG SER A 67 16.081 -6.998 7.704 1.00 0.00 H new ATOM 962 N ARG A 68 15.124 -9.233 3.578 1.00 0.00 N ATOM 963 CA ARG A 68 15.695 -10.394 2.922 1.00 0.00 C ATOM 964 C ARG A 68 14.581 -11.049 2.106 1.00 0.00 C ATOM 965 O ARG A 68 14.046 -12.083 2.516 1.00 0.00 O ATOM 966 CB ARG A 68 16.373 -11.278 3.994 1.00 0.00 C ATOM 967 CG ARG A 68 17.570 -10.520 4.608 1.00 0.00 C ATOM 968 CD ARG A 68 18.511 -11.318 5.517 1.00 0.00 C ATOM 969 NE ARG A 68 19.742 -10.530 5.734 1.00 0.00 N ATOM 970 CZ ARG A 68 20.210 -10.010 6.877 1.00 0.00 C ATOM 971 NH1 ARG A 68 19.683 -10.325 8.055 1.00 0.00 N ATOM 972 NH2 ARG A 68 21.242 -9.174 6.826 1.00 0.00 N ATOM 0 H ARG A 68 14.216 -9.413 4.007 1.00 0.00 H new ATOM 0 HA ARG A 68 16.489 -10.162 2.212 1.00 0.00 H new ATOM 0 HB2 ARG A 68 15.656 -11.538 4.773 1.00 0.00 H new ATOM 0 HB3 ARG A 68 16.712 -12.213 3.548 1.00 0.00 H new ATOM 0 HG2 ARG A 68 18.161 -10.103 3.792 1.00 0.00 H new ATOM 0 HG3 ARG A 68 17.180 -9.679 5.181 1.00 0.00 H new ATOM 0 HD2 ARG A 68 18.026 -11.531 6.470 1.00 0.00 H new ATOM 0 HD3 ARG A 68 18.753 -12.278 5.061 1.00 0.00 H new ATOM 0 HE ARG A 68 20.310 -10.359 4.904 1.00 0.00 H new ATOM 0 HH11 ARG A 68 18.901 -10.978 8.106 1.00 0.00 H new ATOM 0 HH12 ARG A 68 20.060 -9.914 8.909 1.00 0.00 H new ATOM 0 HH21 ARG A 68 21.664 -8.938 5.928 1.00 0.00 H new ATOM 0 HH22 ARG A 68 21.612 -8.768 7.685 1.00 0.00 H new ATOM 986 N PRO A 69 14.197 -10.461 0.955 1.00 0.00 N ATOM 987 CA PRO A 69 13.231 -11.088 0.076 1.00 0.00 C ATOM 988 C PRO A 69 13.858 -12.374 -0.455 1.00 0.00 C ATOM 989 O PRO A 69 15.032 -12.393 -0.846 1.00 0.00 O ATOM 990 CB PRO A 69 12.943 -10.069 -1.024 1.00 0.00 C ATOM 991 CG PRO A 69 14.227 -9.254 -1.111 1.00 0.00 C ATOM 992 CD PRO A 69 14.688 -9.226 0.348 1.00 0.00 C ATOM 0 HA PRO A 69 12.294 -11.359 0.563 1.00 0.00 H new ATOM 0 HB2 PRO A 69 12.714 -10.557 -1.971 1.00 0.00 H new ATOM 0 HB3 PRO A 69 12.087 -9.442 -0.774 1.00 0.00 H new ATOM 0 HG2 PRO A 69 14.964 -9.723 -1.763 1.00 0.00 H new ATOM 0 HG3 PRO A 69 14.048 -8.252 -1.501 1.00 0.00 H new ATOM 0 HD2 PRO A 69 15.774 -9.166 0.412 1.00 0.00 H new ATOM 0 HD3 PRO A 69 14.290 -8.353 0.865 1.00 0.00 H new ATOM 1000 N LYS A 70 13.104 -13.470 -0.452 1.00 0.00 N ATOM 1001 CA LYS A 70 13.497 -14.652 -1.193 1.00 0.00 C ATOM 1002 C LYS A 70 13.288 -14.412 -2.697 1.00 0.00 C ATOM 1003 O LYS A 70 12.467 -13.574 -3.076 1.00 0.00 O ATOM 1004 CB LYS A 70 12.704 -15.866 -0.690 1.00 0.00 C ATOM 1005 CG LYS A 70 13.449 -16.613 0.428 1.00 0.00 C ATOM 1006 CD LYS A 70 13.488 -15.914 1.798 1.00 0.00 C ATOM 1007 CE LYS A 70 12.120 -15.854 2.479 1.00 0.00 C ATOM 1008 NZ LYS A 70 11.627 -17.179 2.909 1.00 0.00 N ATOM 0 H LYS A 70 12.223 -13.559 0.054 1.00 0.00 H new ATOM 0 HA LYS A 70 14.555 -14.859 -1.033 1.00 0.00 H new ATOM 0 HB2 LYS A 70 11.732 -15.538 -0.322 1.00 0.00 H new ATOM 0 HB3 LYS A 70 12.517 -16.547 -1.520 1.00 0.00 H new ATOM 0 HG2 LYS A 70 12.986 -17.591 0.555 1.00 0.00 H new ATOM 0 HG3 LYS A 70 14.474 -16.786 0.101 1.00 0.00 H new ATOM 0 HD2 LYS A 70 14.188 -16.439 2.448 1.00 0.00 H new ATOM 0 HD3 LYS A 70 13.869 -14.901 1.672 1.00 0.00 H new ATOM 0 HE2 LYS A 70 12.181 -15.197 3.347 1.00 0.00 H new ATOM 0 HE3 LYS A 70 11.399 -15.410 1.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 10.748 -17.063 3.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 11.442 -17.769 2.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 12.344 -17.639 3.506 1.00 0.00 H new ATOM 1022 N PRO A 71 13.998 -15.160 -3.555 1.00 0.00 N ATOM 1023 CA PRO A 71 13.783 -15.150 -4.998 1.00 0.00 C ATOM 1024 C PRO A 71 12.421 -15.771 -5.329 1.00 0.00 C ATOM 1025 O PRO A 71 11.848 -16.491 -4.507 1.00 0.00 O ATOM 1026 CB PRO A 71 14.952 -15.954 -5.576 1.00 0.00 C ATOM 1027 CG PRO A 71 15.390 -16.873 -4.451 1.00 0.00 C ATOM 1028 CD PRO A 71 15.026 -16.112 -3.180 1.00 0.00 C ATOM 0 HA PRO A 71 13.759 -14.146 -5.422 1.00 0.00 H new ATOM 0 HB2 PRO A 71 14.644 -16.523 -6.453 1.00 0.00 H new ATOM 0 HB3 PRO A 71 15.765 -15.299 -5.890 1.00 0.00 H new ATOM 0 HG2 PRO A 71 14.878 -17.834 -4.500 1.00 0.00 H new ATOM 0 HG3 PRO A 71 16.459 -17.079 -4.499 1.00 0.00 H new ATOM 0 HD2 PRO A 71 14.663 -16.793 -2.410 1.00 0.00 H new ATOM 0 HD3 PRO A 71 15.897 -15.602 -2.770 1.00 0.00 H new ATOM 1036 N TRP A 72 11.915 -15.542 -6.541 1.00 0.00 N ATOM 1037 CA TRP A 72 10.591 -15.997 -6.950 1.00 0.00 C ATOM 1038 C TRP A 72 10.457 -17.521 -6.850 1.00 0.00 C ATOM 1039 O TRP A 72 9.440 -17.995 -6.347 1.00 0.00 O ATOM 1040 CB TRP A 72 10.295 -15.447 -8.349 1.00 0.00 C ATOM 1041 CG TRP A 72 8.934 -15.683 -8.919 1.00 0.00 C ATOM 1042 CD1 TRP A 72 8.634 -16.556 -9.907 1.00 0.00 C ATOM 1043 CD2 TRP A 72 7.706 -14.941 -8.653 1.00 0.00 C ATOM 1044 NE1 TRP A 72 7.318 -16.391 -10.281 1.00 0.00 N ATOM 1045 CE2 TRP A 72 6.700 -15.411 -9.544 1.00 0.00 C ATOM 1046 CE3 TRP A 72 7.353 -13.880 -7.790 1.00 0.00 C ATOM 1047 CZ2 TRP A 72 5.411 -14.870 -9.578 1.00 0.00 C ATOM 1048 CZ3 TRP A 72 6.056 -13.331 -7.808 1.00 0.00 C ATOM 1049 CH2 TRP A 72 5.094 -13.821 -8.710 1.00 0.00 C ATOM 0 H TRP A 72 12.417 -15.033 -7.269 1.00 0.00 H new ATOM 0 HA TRP A 72 9.836 -15.608 -6.267 1.00 0.00 H new ATOM 0 HB2 TRP A 72 10.467 -14.371 -8.329 1.00 0.00 H new ATOM 0 HB3 TRP A 72 11.025 -15.874 -9.037 1.00 0.00 H new ATOM 0 HD1 TRP A 72 9.319 -17.272 -10.336 1.00 0.00 H new ATOM 0 HE1 TRP A 72 6.859 -16.931 -11.015 1.00 0.00 H new ATOM 0 HE3 TRP A 72 8.089 -13.484 -7.106 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 4.672 -15.257 -10.264 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 5.799 -12.532 -7.128 1.00 0.00 H new ATOM 0 HH2 TRP A 72 4.106 -13.385 -8.732 1.00 0.00 H new ATOM 1060 N HIS A 73 11.467 -18.307 -7.242 1.00 0.00 N ATOM 1061 CA HIS A 73 11.436 -19.771 -7.140 1.00 0.00 C ATOM 1062 C HIS A 73 11.217 -20.235 -5.693 1.00 0.00 C ATOM 1063 O HIS A 73 10.336 -21.055 -5.416 1.00 0.00 O ATOM 1064 CB HIS A 73 12.688 -20.405 -7.777 1.00 0.00 C ATOM 1065 CG HIS A 73 14.013 -20.150 -7.100 1.00 0.00 C ATOM 1066 ND1 HIS A 73 14.863 -19.093 -7.340 1.00 0.00 N ATOM 1067 CD2 HIS A 73 14.633 -20.996 -6.218 1.00 0.00 C ATOM 1068 CE1 HIS A 73 15.955 -19.275 -6.578 1.00 0.00 C ATOM 1069 NE2 HIS A 73 15.865 -20.421 -5.876 1.00 0.00 N ATOM 0 H HIS A 73 12.333 -17.944 -7.641 1.00 0.00 H new ATOM 0 HA HIS A 73 10.577 -20.124 -7.711 1.00 0.00 H new ATOM 0 HB2 HIS A 73 12.534 -21.483 -7.822 1.00 0.00 H new ATOM 0 HB3 HIS A 73 12.760 -20.050 -8.805 1.00 0.00 H new ATOM 0 HD2 HIS A 73 14.243 -21.935 -5.853 1.00 0.00 H new ATOM 0 HE1 HIS A 73 16.792 -18.594 -6.534 1.00 0.00 H new ATOM 0 HE2 HIS A 73 16.555 -20.796 -5.225 1.00 0.00 H new ATOM 1077 N LYS A 74 11.960 -19.645 -4.749 1.00 0.00 N ATOM 1078 CA LYS A 74 11.914 -19.955 -3.316 1.00 0.00 C ATOM 1079 C LYS A 74 10.550 -19.692 -2.683 1.00 0.00 C ATOM 1080 O LYS A 74 10.338 -20.084 -1.528 1.00 0.00 O ATOM 1081 CB LYS A 74 12.962 -19.096 -2.598 1.00 0.00 C ATOM 1082 CG LYS A 74 14.375 -19.670 -2.692 1.00 0.00 C ATOM 1083 CD LYS A 74 14.601 -20.669 -1.560 1.00 0.00 C ATOM 1084 CE LYS A 74 16.028 -21.205 -1.616 1.00 0.00 C ATOM 1085 NZ LYS A 74 16.353 -21.952 -0.387 1.00 0.00 N ATOM 0 H LYS A 74 12.634 -18.912 -4.971 1.00 0.00 H new ATOM 0 HA LYS A 74 12.116 -21.021 -3.210 1.00 0.00 H new ATOM 0 HB2 LYS A 74 12.955 -18.093 -3.025 1.00 0.00 H new ATOM 0 HB3 LYS A 74 12.685 -18.998 -1.548 1.00 0.00 H new ATOM 0 HG2 LYS A 74 14.516 -20.160 -3.656 1.00 0.00 H new ATOM 0 HG3 LYS A 74 15.109 -18.866 -2.633 1.00 0.00 H new ATOM 0 HD2 LYS A 74 14.422 -20.188 -0.598 1.00 0.00 H new ATOM 0 HD3 LYS A 74 13.891 -21.492 -1.643 1.00 0.00 H new ATOM 0 HE2 LYS A 74 16.144 -21.855 -2.484 1.00 0.00 H new ATOM 0 HE3 LYS A 74 16.728 -20.378 -1.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 17.328 -22.308 -0.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 16.263 -21.323 0.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 15.697 -22.753 -0.284 1.00 0.00 H new ATOM 1099 N LEU A 75 9.641 -19.016 -3.374 1.00 0.00 N ATOM 1100 CA LEU A 75 8.323 -18.664 -2.894 1.00 0.00 C ATOM 1101 C LEU A 75 7.331 -19.446 -3.744 1.00 0.00 C ATOM 1102 O LEU A 75 7.426 -19.442 -4.966 1.00 0.00 O ATOM 1103 CB LEU A 75 8.143 -17.150 -3.059 1.00 0.00 C ATOM 1104 CG LEU A 75 9.094 -16.297 -2.198 1.00 0.00 C ATOM 1105 CD1 LEU A 75 9.058 -14.867 -2.726 1.00 0.00 C ATOM 1106 CD2 LEU A 75 8.717 -16.333 -0.711 1.00 0.00 C ATOM 0 H LEU A 75 9.816 -18.687 -4.324 1.00 0.00 H new ATOM 0 HA LEU A 75 8.173 -18.907 -1.842 1.00 0.00 H new ATOM 0 HB2 LEU A 75 8.292 -16.891 -4.107 1.00 0.00 H new ATOM 0 HB3 LEU A 75 7.115 -16.890 -2.809 1.00 0.00 H new ATOM 0 HG LEU A 75 10.101 -16.707 -2.271 1.00 0.00 H new ATOM 0 HD11 LEU A 75 9.725 -14.243 -2.131 1.00 0.00 H new ATOM 0 HD12 LEU A 75 9.382 -14.855 -3.767 1.00 0.00 H new ATOM 0 HD13 LEU A 75 8.041 -14.480 -2.658 1.00 0.00 H new ATOM 0 HD21 LEU A 75 9.415 -15.718 -0.144 1.00 0.00 H new ATOM 0 HD22 LEU A 75 7.706 -15.947 -0.583 1.00 0.00 H new ATOM 0 HD23 LEU A 75 8.762 -17.360 -0.349 1.00 0.00 H new ATOM 1118 N SER A 76 6.383 -20.138 -3.121 1.00 0.00 N ATOM 1119 CA SER A 76 5.259 -20.744 -3.846 1.00 0.00 C ATOM 1120 C SER A 76 4.168 -19.675 -4.014 1.00 0.00 C ATOM 1121 O SER A 76 4.415 -18.525 -3.659 1.00 0.00 O ATOM 1122 CB SER A 76 4.794 -22.008 -3.114 1.00 0.00 C ATOM 1123 OG SER A 76 5.930 -22.713 -2.628 1.00 0.00 O ATOM 0 H SER A 76 6.366 -20.296 -2.114 1.00 0.00 H new ATOM 0 HA SER A 76 5.546 -21.073 -4.845 1.00 0.00 H new ATOM 0 HB2 SER A 76 4.135 -21.742 -2.287 1.00 0.00 H new ATOM 0 HB3 SER A 76 4.219 -22.642 -3.789 1.00 0.00 H new ATOM 0 HG SER A 76 5.637 -23.521 -2.158 1.00 0.00 H new ATOM 1129 N LEU A 77 2.967 -19.995 -4.511 1.00 0.00 N ATOM 1130 CA LEU A 77 1.924 -18.982 -4.744 1.00 0.00 C ATOM 1131 C LEU A 77 1.653 -18.154 -3.482 1.00 0.00 C ATOM 1132 O LEU A 77 1.773 -16.933 -3.493 1.00 0.00 O ATOM 1133 CB LEU A 77 0.623 -19.625 -5.230 1.00 0.00 C ATOM 1134 CG LEU A 77 0.736 -20.456 -6.517 1.00 0.00 C ATOM 1135 CD1 LEU A 77 -0.646 -20.992 -6.885 1.00 0.00 C ATOM 1136 CD2 LEU A 77 1.303 -19.653 -7.690 1.00 0.00 C ATOM 0 H LEU A 77 2.691 -20.945 -4.760 1.00 0.00 H new ATOM 0 HA LEU A 77 2.297 -18.316 -5.522 1.00 0.00 H new ATOM 0 HB2 LEU A 77 0.237 -20.266 -4.437 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -0.113 -18.837 -5.390 1.00 0.00 H new ATOM 0 HG LEU A 77 1.431 -21.273 -6.323 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -0.576 -21.583 -7.798 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -1.021 -21.618 -6.075 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -1.329 -20.158 -7.045 1.00 0.00 H new ATOM 0 HD21 LEU A 77 1.361 -20.290 -8.573 1.00 0.00 H new ATOM 0 HD22 LEU A 77 0.653 -18.803 -7.897 1.00 0.00 H new ATOM 0 HD23 LEU A 77 2.300 -19.293 -7.436 1.00 0.00 H new ATOM 1148 N LYS A 78 1.393 -18.833 -2.364 1.00 0.00 N ATOM 1149 CA LYS A 78 1.273 -18.256 -1.026 1.00 0.00 C ATOM 1150 C LYS A 78 2.462 -17.374 -0.619 1.00 0.00 C ATOM 1151 O LYS A 78 2.299 -16.444 0.166 1.00 0.00 O ATOM 1152 CB LYS A 78 0.987 -19.338 0.028 1.00 0.00 C ATOM 1153 CG LYS A 78 1.805 -20.638 -0.057 1.00 0.00 C ATOM 1154 CD LYS A 78 1.278 -21.635 -1.100 1.00 0.00 C ATOM 1155 CE LYS A 78 1.759 -23.076 -0.893 1.00 0.00 C ATOM 1156 NZ LYS A 78 1.004 -23.810 0.136 1.00 0.00 N ATOM 0 H LYS A 78 1.254 -19.844 -2.367 1.00 0.00 H new ATOM 0 HA LYS A 78 0.415 -17.585 -1.071 1.00 0.00 H new ATOM 0 HB2 LYS A 78 1.149 -18.901 1.013 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -0.069 -19.599 -0.035 1.00 0.00 H new ATOM 0 HG2 LYS A 78 2.839 -20.390 -0.295 1.00 0.00 H new ATOM 0 HG3 LYS A 78 1.809 -21.118 0.921 1.00 0.00 H new ATOM 0 HD2 LYS A 78 0.188 -21.622 -1.081 1.00 0.00 H new ATOM 0 HD3 LYS A 78 1.583 -21.301 -2.092 1.00 0.00 H new ATOM 0 HE2 LYS A 78 1.685 -23.614 -1.838 1.00 0.00 H new ATOM 0 HE3 LYS A 78 2.813 -23.062 -0.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 1.383 -24.775 0.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 1.094 -23.320 1.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 0.001 -23.855 -0.135 1.00 0.00 H new ATOM 1170 N GLY A 79 3.654 -17.644 -1.146 1.00 0.00 N ATOM 1171 CA GLY A 79 4.866 -16.861 -0.943 1.00 0.00 C ATOM 1172 C GLY A 79 4.966 -15.636 -1.834 1.00 0.00 C ATOM 1173 O GLY A 79 5.603 -14.652 -1.469 1.00 0.00 O ATOM 0 H GLY A 79 3.806 -18.450 -1.752 1.00 0.00 H new ATOM 0 HA2 GLY A 79 4.911 -16.544 0.099 1.00 0.00 H new ATOM 0 HA3 GLY A 79 5.732 -17.498 -1.121 1.00 0.00 H new ATOM 1177 N ARG A 80 4.381 -15.701 -3.022 1.00 0.00 N ATOM 1178 CA ARG A 80 4.496 -14.688 -4.060 1.00 0.00 C ATOM 1179 C ARG A 80 3.358 -13.685 -3.965 1.00 0.00 C ATOM 1180 O ARG A 80 3.523 -12.553 -4.399 1.00 0.00 O ATOM 1181 CB ARG A 80 4.465 -15.409 -5.401 1.00 0.00 C ATOM 1182 CG ARG A 80 5.701 -16.280 -5.616 1.00 0.00 C ATOM 1183 CD ARG A 80 5.422 -17.197 -6.812 1.00 0.00 C ATOM 1184 NE ARG A 80 6.604 -17.970 -7.185 1.00 0.00 N ATOM 1185 CZ ARG A 80 6.752 -18.764 -8.245 1.00 0.00 C ATOM 1186 NH1 ARG A 80 5.792 -18.894 -9.157 1.00 0.00 N ATOM 1187 NH2 ARG A 80 7.888 -19.439 -8.352 1.00 0.00 N ATOM 0 H ARG A 80 3.793 -16.488 -3.298 1.00 0.00 H new ATOM 0 HA ARG A 80 5.425 -14.130 -3.945 1.00 0.00 H new ATOM 0 HB2 ARG A 80 3.571 -16.030 -5.457 1.00 0.00 H new ATOM 0 HB3 ARG A 80 4.395 -14.676 -6.204 1.00 0.00 H new ATOM 0 HG2 ARG A 80 6.577 -15.660 -5.805 1.00 0.00 H new ATOM 0 HG3 ARG A 80 5.914 -16.869 -4.724 1.00 0.00 H new ATOM 0 HD2 ARG A 80 4.605 -17.876 -6.568 1.00 0.00 H new ATOM 0 HD3 ARG A 80 5.095 -16.598 -7.662 1.00 0.00 H new ATOM 0 HE ARG A 80 7.408 -17.893 -6.563 1.00 0.00 H new ATOM 0 HH11 ARG A 80 4.918 -18.379 -9.054 1.00 0.00 H new ATOM 0 HH12 ARG A 80 5.931 -19.508 -9.959 1.00 0.00 H new ATOM 0 HH21 ARG A 80 8.609 -19.340 -7.638 1.00 0.00 H new ATOM 0 HH22 ARG A 80 8.041 -20.058 -9.149 1.00 0.00 H new ATOM 1201 N GLU A 81 2.253 -14.078 -3.334 1.00 0.00 N ATOM 1202 CA GLU A 81 1.087 -13.276 -2.997 1.00 0.00 C ATOM 1203 C GLU A 81 1.427 -11.829 -2.648 1.00 0.00 C ATOM 1204 O GLU A 81 0.892 -10.932 -3.303 1.00 0.00 O ATOM 1205 CB GLU A 81 0.319 -13.969 -1.855 1.00 0.00 C ATOM 1206 CG GLU A 81 -1.082 -14.360 -2.273 1.00 0.00 C ATOM 1207 CD GLU A 81 -1.786 -15.134 -1.162 1.00 0.00 C ATOM 1208 OE1 GLU A 81 -2.313 -14.478 -0.234 1.00 0.00 O ATOM 1209 OE2 GLU A 81 -1.803 -16.382 -1.189 1.00 0.00 O ATOM 0 H GLU A 81 2.145 -15.043 -3.022 1.00 0.00 H new ATOM 0 HA GLU A 81 0.456 -13.212 -3.883 1.00 0.00 H new ATOM 0 HB2 GLU A 81 0.864 -14.858 -1.538 1.00 0.00 H new ATOM 0 HB3 GLU A 81 0.268 -13.302 -0.994 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -1.655 -13.466 -2.518 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -1.040 -14.969 -3.176 1.00 0.00 H new ATOM 1216 N PRO A 82 2.289 -11.564 -1.652 1.00 0.00 N ATOM 1217 CA PRO A 82 2.581 -10.199 -1.284 1.00 0.00 C ATOM 1218 C PRO A 82 3.353 -9.501 -2.404 1.00 0.00 C ATOM 1219 O PRO A 82 2.951 -8.418 -2.816 1.00 0.00 O ATOM 1220 CB PRO A 82 3.331 -10.275 0.053 1.00 0.00 C ATOM 1221 CG PRO A 82 3.944 -11.670 0.068 1.00 0.00 C ATOM 1222 CD PRO A 82 2.955 -12.493 -0.750 1.00 0.00 C ATOM 0 HA PRO A 82 1.686 -9.590 -1.152 1.00 0.00 H new ATOM 0 HB2 PRO A 82 4.098 -9.504 0.122 1.00 0.00 H new ATOM 0 HB3 PRO A 82 2.655 -10.129 0.896 1.00 0.00 H new ATOM 0 HG2 PRO A 82 4.939 -11.678 -0.377 1.00 0.00 H new ATOM 0 HG3 PRO A 82 4.046 -12.054 1.083 1.00 0.00 H new ATOM 0 HD2 PRO A 82 3.470 -13.274 -1.309 1.00 0.00 H new ATOM 0 HD3 PRO A 82 2.233 -12.988 -0.101 1.00 0.00 H new ATOM 1230 N PHE A 83 4.424 -10.107 -2.934 1.00 0.00 N ATOM 1231 CA PHE A 83 5.274 -9.481 -3.949 1.00 0.00 C ATOM 1232 C PHE A 83 4.500 -9.124 -5.219 1.00 0.00 C ATOM 1233 O PHE A 83 4.818 -8.112 -5.840 1.00 0.00 O ATOM 1234 CB PHE A 83 6.501 -10.344 -4.273 1.00 0.00 C ATOM 1235 CG PHE A 83 7.401 -10.644 -3.094 1.00 0.00 C ATOM 1236 CD1 PHE A 83 7.138 -11.741 -2.254 1.00 0.00 C ATOM 1237 CD2 PHE A 83 8.506 -9.815 -2.830 1.00 0.00 C ATOM 1238 CE1 PHE A 83 7.958 -11.996 -1.141 1.00 0.00 C ATOM 1239 CE2 PHE A 83 9.318 -10.064 -1.712 1.00 0.00 C ATOM 1240 CZ PHE A 83 9.051 -11.155 -0.869 1.00 0.00 C ATOM 0 H PHE A 83 4.723 -11.045 -2.669 1.00 0.00 H new ATOM 0 HA PHE A 83 5.629 -8.545 -3.518 1.00 0.00 H new ATOM 0 HB2 PHE A 83 6.161 -11.287 -4.700 1.00 0.00 H new ATOM 0 HB3 PHE A 83 7.089 -9.840 -5.040 1.00 0.00 H new ATOM 0 HD1 PHE A 83 6.302 -12.391 -2.465 1.00 0.00 H new ATOM 0 HD2 PHE A 83 8.730 -8.987 -3.487 1.00 0.00 H new ATOM 0 HE1 PHE A 83 7.749 -12.837 -0.496 1.00 0.00 H new ATOM 0 HE2 PHE A 83 10.153 -9.413 -1.499 1.00 0.00 H new ATOM 0 HZ PHE A 83 9.683 -11.347 -0.015 1.00 0.00 H new ATOM 1250 N VAL A 84 3.481 -9.905 -5.585 1.00 0.00 N ATOM 1251 CA VAL A 84 2.550 -9.550 -6.649 1.00 0.00 C ATOM 1252 C VAL A 84 1.813 -8.276 -6.255 1.00 0.00 C ATOM 1253 O VAL A 84 1.858 -7.311 -7.012 1.00 0.00 O ATOM 1254 CB VAL A 84 1.613 -10.735 -6.949 1.00 0.00 C ATOM 1255 CG1 VAL A 84 0.465 -10.411 -7.914 1.00 0.00 C ATOM 1256 CG2 VAL A 84 2.441 -11.847 -7.596 1.00 0.00 C ATOM 0 H VAL A 84 3.281 -10.804 -5.147 1.00 0.00 H new ATOM 0 HA VAL A 84 3.081 -9.343 -7.578 1.00 0.00 H new ATOM 0 HB VAL A 84 1.167 -11.017 -5.996 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -0.143 -11.302 -8.068 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -0.153 -9.618 -7.492 1.00 0.00 H new ATOM 0 HG13 VAL A 84 0.874 -10.082 -8.869 1.00 0.00 H new ATOM 0 HG21 VAL A 84 1.797 -12.698 -7.818 1.00 0.00 H new ATOM 0 HG22 VAL A 84 2.886 -11.478 -8.520 1.00 0.00 H new ATOM 0 HG23 VAL A 84 3.230 -12.158 -6.912 1.00 0.00 H new ATOM 1266 N ARG A 85 1.175 -8.223 -5.078 1.00 0.00 N ATOM 1267 CA ARG A 85 0.498 -7.009 -4.647 1.00 0.00 C ATOM 1268 C ARG A 85 1.468 -5.820 -4.658 1.00 0.00 C ATOM 1269 O ARG A 85 1.102 -4.775 -5.174 1.00 0.00 O ATOM 1270 CB ARG A 85 -0.154 -7.186 -3.268 1.00 0.00 C ATOM 1271 CG ARG A 85 -1.616 -7.644 -3.359 1.00 0.00 C ATOM 1272 CD ARG A 85 -2.224 -7.713 -1.954 1.00 0.00 C ATOM 1273 NE ARG A 85 -3.691 -7.591 -1.974 1.00 0.00 N ATOM 1274 CZ ARG A 85 -4.529 -7.649 -0.934 1.00 0.00 C ATOM 1275 NH1 ARG A 85 -4.072 -7.797 0.303 1.00 0.00 N ATOM 1276 NH2 ARG A 85 -5.834 -7.616 -1.136 1.00 0.00 N ATOM 0 H ARG A 85 1.118 -9.000 -4.420 1.00 0.00 H new ATOM 0 HA ARG A 85 -0.304 -6.801 -5.356 1.00 0.00 H new ATOM 0 HB2 ARG A 85 0.416 -7.915 -2.692 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -0.106 -6.243 -2.724 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -2.186 -6.952 -3.979 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -1.672 -8.621 -3.838 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -1.946 -8.658 -1.486 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -1.804 -6.917 -1.339 1.00 0.00 H new ATOM 0 HE ARG A 85 -4.118 -7.445 -2.889 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -3.068 -7.868 0.471 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -4.724 -7.839 1.086 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -6.202 -7.546 -2.085 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -6.474 -7.660 -0.343 1.00 0.00 H new ATOM 1290 N MET A 86 2.705 -5.944 -4.159 1.00 0.00 N ATOM 1291 CA MET A 86 3.724 -4.908 -4.232 1.00 0.00 C ATOM 1292 C MET A 86 3.995 -4.449 -5.665 1.00 0.00 C ATOM 1293 O MET A 86 3.983 -3.248 -5.915 1.00 0.00 O ATOM 1294 CB MET A 86 4.997 -5.419 -3.551 1.00 0.00 C ATOM 1295 CG MET A 86 4.798 -5.623 -2.047 1.00 0.00 C ATOM 1296 SD MET A 86 5.197 -7.196 -1.241 1.00 0.00 S ATOM 1297 CE MET A 86 6.972 -7.301 -1.439 1.00 0.00 C ATOM 0 H MET A 86 3.024 -6.789 -3.685 1.00 0.00 H new ATOM 0 HA MET A 86 3.359 -4.025 -3.708 1.00 0.00 H new ATOM 0 HB2 MET A 86 5.300 -6.361 -4.008 1.00 0.00 H new ATOM 0 HB3 MET A 86 5.807 -4.709 -3.717 1.00 0.00 H new ATOM 0 HG2 MET A 86 5.382 -4.853 -1.543 1.00 0.00 H new ATOM 0 HG3 MET A 86 3.749 -5.417 -1.836 1.00 0.00 H new ATOM 0 HE1 MET A 86 7.342 -8.196 -0.939 1.00 0.00 H new ATOM 0 HE2 MET A 86 7.217 -7.350 -2.500 1.00 0.00 H new ATOM 0 HE3 MET A 86 7.440 -6.420 -0.999 1.00 0.00 H new ATOM 1307 N GLN A 87 4.249 -5.371 -6.594 1.00 0.00 N ATOM 1308 CA GLN A 87 4.455 -5.053 -8.007 1.00 0.00 C ATOM 1309 C GLN A 87 3.267 -4.258 -8.566 1.00 0.00 C ATOM 1310 O GLN A 87 3.447 -3.222 -9.209 1.00 0.00 O ATOM 1311 CB GLN A 87 4.684 -6.343 -8.812 1.00 0.00 C ATOM 1312 CG GLN A 87 4.948 -6.098 -10.306 1.00 0.00 C ATOM 1313 CD GLN A 87 6.310 -5.461 -10.585 1.00 0.00 C ATOM 1314 OE1 GLN A 87 6.657 -4.408 -10.062 1.00 0.00 O ATOM 1315 NE2 GLN A 87 7.119 -6.072 -11.427 1.00 0.00 N ATOM 0 H GLN A 87 4.318 -6.367 -6.385 1.00 0.00 H new ATOM 0 HA GLN A 87 5.344 -4.428 -8.098 1.00 0.00 H new ATOM 0 HB2 GLN A 87 5.530 -6.882 -8.386 1.00 0.00 H new ATOM 0 HB3 GLN A 87 3.811 -6.987 -8.707 1.00 0.00 H new ATOM 0 HG2 GLN A 87 4.883 -7.046 -10.839 1.00 0.00 H new ATOM 0 HG3 GLN A 87 4.165 -5.453 -10.705 1.00 0.00 H new ATOM 0 HE21 GLN A 87 6.833 -6.948 -11.864 1.00 0.00 H new ATOM 0 HE22 GLN A 87 8.031 -5.669 -11.642 1.00 0.00 H new ATOM 1324 N LEU A 88 2.040 -4.739 -8.358 1.00 0.00 N ATOM 1325 CA LEU A 88 0.861 -4.075 -8.901 1.00 0.00 C ATOM 1326 C LEU A 88 0.584 -2.760 -8.170 1.00 0.00 C ATOM 1327 O LEU A 88 0.076 -1.828 -8.787 1.00 0.00 O ATOM 1328 CB LEU A 88 -0.374 -4.994 -8.852 1.00 0.00 C ATOM 1329 CG LEU A 88 -0.528 -6.041 -9.976 1.00 0.00 C ATOM 1330 CD1 LEU A 88 -0.395 -5.452 -11.381 1.00 0.00 C ATOM 1331 CD2 LEU A 88 0.425 -7.223 -9.825 1.00 0.00 C ATOM 0 H LEU A 88 1.841 -5.582 -7.820 1.00 0.00 H new ATOM 0 HA LEU A 88 1.068 -3.847 -9.947 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -0.362 -5.523 -7.899 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -1.263 -4.363 -8.856 1.00 0.00 H new ATOM 0 HG LEU A 88 -1.549 -6.404 -9.861 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -0.514 -6.244 -12.120 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -1.165 -4.695 -11.533 1.00 0.00 H new ATOM 0 HD13 LEU A 88 0.589 -4.996 -11.493 1.00 0.00 H new ATOM 0 HD21 LEU A 88 0.268 -7.924 -10.645 1.00 0.00 H new ATOM 0 HD22 LEU A 88 1.454 -6.865 -9.845 1.00 0.00 H new ATOM 0 HD23 LEU A 88 0.234 -7.725 -8.877 1.00 0.00 H new ATOM 1343 N TRP A 89 0.893 -2.631 -6.878 1.00 0.00 N ATOM 1344 CA TRP A 89 0.786 -1.376 -6.140 1.00 0.00 C ATOM 1345 C TRP A 89 1.778 -0.366 -6.719 1.00 0.00 C ATOM 1346 O TRP A 89 1.481 0.815 -6.792 1.00 0.00 O ATOM 1347 CB TRP A 89 1.026 -1.633 -4.644 1.00 0.00 C ATOM 1348 CG TRP A 89 0.904 -0.438 -3.748 1.00 0.00 C ATOM 1349 CD1 TRP A 89 -0.236 -0.002 -3.169 1.00 0.00 C ATOM 1350 CD2 TRP A 89 1.945 0.480 -3.301 1.00 0.00 C ATOM 1351 NE1 TRP A 89 0.020 1.127 -2.419 1.00 0.00 N ATOM 1352 CE2 TRP A 89 1.359 1.439 -2.421 1.00 0.00 C ATOM 1353 CE3 TRP A 89 3.330 0.586 -3.539 1.00 0.00 C ATOM 1354 CZ2 TRP A 89 2.109 2.436 -1.786 1.00 0.00 C ATOM 1355 CZ3 TRP A 89 4.098 1.587 -2.909 1.00 0.00 C ATOM 1356 CH2 TRP A 89 3.492 2.503 -2.027 1.00 0.00 C ATOM 0 H TRP A 89 1.229 -3.408 -6.309 1.00 0.00 H new ATOM 0 HA TRP A 89 -0.215 -0.958 -6.242 1.00 0.00 H new ATOM 0 HB2 TRP A 89 0.318 -2.390 -4.307 1.00 0.00 H new ATOM 0 HB3 TRP A 89 2.024 -2.054 -4.523 1.00 0.00 H new ATOM 0 HD1 TRP A 89 -1.204 -0.468 -3.277 1.00 0.00 H new ATOM 0 HE1 TRP A 89 -0.694 1.663 -1.925 1.00 0.00 H new ATOM 0 HE3 TRP A 89 3.810 -0.109 -4.213 1.00 0.00 H new ATOM 0 HZ2 TRP A 89 1.633 3.142 -1.122 1.00 0.00 H new ATOM 0 HZ3 TRP A 89 5.158 1.652 -3.104 1.00 0.00 H new ATOM 0 HH2 TRP A 89 4.090 3.257 -1.536 1.00 0.00 H new ATOM 1367 N LEU A 90 2.943 -0.807 -7.193 1.00 0.00 N ATOM 1368 CA LEU A 90 3.886 0.066 -7.887 1.00 0.00 C ATOM 1369 C LEU A 90 3.448 0.428 -9.303 1.00 0.00 C ATOM 1370 O LEU A 90 4.043 1.316 -9.906 1.00 0.00 O ATOM 1371 CB LEU A 90 5.240 -0.632 -7.970 1.00 0.00 C ATOM 1372 CG LEU A 90 5.985 -0.659 -6.634 1.00 0.00 C ATOM 1373 CD1 LEU A 90 7.169 -1.613 -6.817 1.00 0.00 C ATOM 1374 CD2 LEU A 90 6.373 0.752 -6.173 1.00 0.00 C ATOM 0 H LEU A 90 3.257 -1.774 -7.107 1.00 0.00 H new ATOM 0 HA LEU A 90 3.937 0.991 -7.313 1.00 0.00 H new ATOM 0 HB2 LEU A 90 5.094 -1.654 -8.318 1.00 0.00 H new ATOM 0 HB3 LEU A 90 5.857 -0.127 -8.713 1.00 0.00 H new ATOM 0 HG LEU A 90 5.355 -1.027 -5.824 1.00 0.00 H new ATOM 0 HD11 LEU A 90 7.737 -1.670 -5.889 1.00 0.00 H new ATOM 0 HD12 LEU A 90 6.800 -2.605 -7.078 1.00 0.00 H new ATOM 0 HD13 LEU A 90 7.813 -1.244 -7.615 1.00 0.00 H new ATOM 0 HD21 LEU A 90 6.900 0.692 -5.221 1.00 0.00 H new ATOM 0 HD22 LEU A 90 7.021 1.213 -6.918 1.00 0.00 H new ATOM 0 HD23 LEU A 90 5.473 1.355 -6.052 1.00 0.00 H new ATOM 1386 N ASN A 91 2.469 -0.270 -9.873 1.00 0.00 N ATOM 1387 CA ASN A 91 1.917 0.071 -11.182 1.00 0.00 C ATOM 1388 C ASN A 91 0.771 1.072 -11.050 1.00 0.00 C ATOM 1389 O ASN A 91 0.528 1.837 -11.983 1.00 0.00 O ATOM 1390 CB ASN A 91 1.427 -1.179 -11.920 1.00 0.00 C ATOM 1391 CG ASN A 91 2.530 -1.864 -12.708 1.00 0.00 C ATOM 1392 OD1 ASN A 91 2.577 -1.729 -13.930 1.00 0.00 O ATOM 1393 ND2 ASN A 91 3.437 -2.574 -12.056 1.00 0.00 N ATOM 0 H ASN A 91 2.036 -1.087 -9.442 1.00 0.00 H new ATOM 0 HA ASN A 91 2.719 0.527 -11.762 1.00 0.00 H new ATOM 0 HB2 ASN A 91 1.011 -1.882 -11.199 1.00 0.00 H new ATOM 0 HB3 ASN A 91 0.619 -0.903 -12.598 1.00 0.00 H new ATOM 0 HD21 ASN A 91 4.196 -3.024 -12.567 1.00 0.00 H new ATOM 0 HD22 ASN A 91 3.377 -2.671 -11.042 1.00 0.00 H new ATOM 1400 N ASP A 92 0.063 1.071 -9.922 1.00 0.00 N ATOM 1401 CA ASP A 92 -1.038 1.990 -9.640 1.00 0.00 C ATOM 1402 C ASP A 92 -0.491 3.423 -9.484 1.00 0.00 C ATOM 1403 O ASP A 92 0.568 3.596 -8.874 1.00 0.00 O ATOM 1404 CB ASP A 92 -1.733 1.563 -8.335 1.00 0.00 C ATOM 1405 CG ASP A 92 -2.969 0.692 -8.525 1.00 0.00 C ATOM 1406 OD1 ASP A 92 -2.860 -0.430 -9.063 1.00 0.00 O ATOM 1407 OD2 ASP A 92 -4.036 1.061 -7.979 1.00 0.00 O ATOM 0 H ASP A 92 0.243 0.416 -9.161 1.00 0.00 H new ATOM 0 HA ASP A 92 -1.752 1.965 -10.463 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -1.016 1.022 -7.718 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -2.018 2.458 -7.782 1.00 0.00 H new ATOM 1412 N PRO A 93 -1.186 4.458 -9.989 1.00 0.00 N ATOM 1413 CA PRO A 93 -0.847 5.858 -9.763 1.00 0.00 C ATOM 1414 C PRO A 93 -1.351 6.393 -8.416 1.00 0.00 C ATOM 1415 O PRO A 93 -0.589 7.077 -7.739 1.00 0.00 O ATOM 1416 CB PRO A 93 -1.466 6.620 -10.933 1.00 0.00 C ATOM 1417 CG PRO A 93 -2.675 5.775 -11.319 1.00 0.00 C ATOM 1418 CD PRO A 93 -2.231 4.355 -10.990 1.00 0.00 C ATOM 0 HA PRO A 93 0.235 5.984 -9.715 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -1.759 7.629 -10.643 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -0.765 6.718 -11.762 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -3.562 6.060 -10.753 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -2.922 5.885 -12.375 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -3.068 3.767 -10.614 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -1.862 3.850 -11.883 1.00 0.00 H new ATOM 1426 N HIS A 94 -2.574 6.070 -7.962 1.00 0.00 N ATOM 1427 CA HIS A 94 -3.101 6.533 -6.671 1.00 0.00 C ATOM 1428 C HIS A 94 -2.602 5.633 -5.531 1.00 0.00 C ATOM 1429 O HIS A 94 -3.146 5.650 -4.427 1.00 0.00 O ATOM 1430 CB HIS A 94 -4.635 6.564 -6.706 1.00 0.00 C ATOM 1431 CG HIS A 94 -5.187 7.396 -7.837 1.00 0.00 C ATOM 1432 ND1 HIS A 94 -5.302 8.765 -7.842 1.00 0.00 N ATOM 1433 CD2 HIS A 94 -5.592 6.942 -9.066 1.00 0.00 C ATOM 1434 CE1 HIS A 94 -5.777 9.132 -9.041 1.00 0.00 C ATOM 1435 NE2 HIS A 94 -5.977 8.053 -9.822 1.00 0.00 N ATOM 0 H HIS A 94 -3.224 5.480 -8.482 1.00 0.00 H new ATOM 0 HA HIS A 94 -2.738 7.544 -6.488 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -5.011 5.545 -6.796 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -5.006 6.958 -5.760 1.00 0.00 H new ATOM 0 HD1 HIS A 94 -5.068 9.391 -7.071 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -5.610 5.912 -9.391 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -5.972 10.152 -9.339 1.00 0.00 H new ATOM 1443 N ASN A 95 -1.588 4.812 -5.804 1.00 0.00 N ATOM 1444 CA ASN A 95 -0.984 3.866 -4.890 1.00 0.00 C ATOM 1445 C ASN A 95 -0.592 4.539 -3.585 1.00 0.00 C ATOM 1446 O ASN A 95 -1.052 4.103 -2.523 1.00 0.00 O ATOM 1447 CB ASN A 95 0.199 3.154 -5.555 1.00 0.00 C ATOM 1448 CG ASN A 95 1.374 4.021 -6.004 1.00 0.00 C ATOM 1449 OD1 ASN A 95 1.242 5.219 -6.233 1.00 0.00 O ATOM 1450 ND2 ASN A 95 2.541 3.431 -6.159 1.00 0.00 N ATOM 0 H ASN A 95 -1.147 4.795 -6.724 1.00 0.00 H new ATOM 0 HA ASN A 95 -1.723 3.104 -4.641 1.00 0.00 H new ATOM 0 HB2 ASN A 95 0.578 2.406 -4.858 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -0.176 2.617 -6.426 1.00 0.00 H new ATOM 0 HD21 ASN A 95 3.348 3.971 -6.473 1.00 0.00 H new ATOM 0 HD22 ASN A 95 2.638 2.434 -5.965 1.00 0.00 H new ATOM 1457 N VAL A 96 0.216 5.593 -3.661 1.00 0.00 N ATOM 1458 CA VAL A 96 0.646 6.362 -2.531 1.00 0.00 C ATOM 1459 C VAL A 96 -0.500 7.229 -2.035 1.00 0.00 C ATOM 1460 O VAL A 96 -0.648 7.335 -0.824 1.00 0.00 O ATOM 1461 CB VAL A 96 1.877 7.192 -2.920 1.00 0.00 C ATOM 1462 CG1 VAL A 96 2.326 7.973 -1.707 1.00 0.00 C ATOM 1463 CG2 VAL A 96 3.042 6.306 -3.364 1.00 0.00 C ATOM 0 H VAL A 96 0.593 5.934 -4.545 1.00 0.00 H new ATOM 0 HA VAL A 96 0.934 5.704 -1.711 1.00 0.00 H new ATOM 0 HB VAL A 96 1.599 7.844 -3.748 1.00 0.00 H new ATOM 0 HG11 VAL A 96 3.201 8.570 -1.962 1.00 0.00 H new ATOM 0 HG12 VAL A 96 1.521 8.630 -1.379 1.00 0.00 H new ATOM 0 HG13 VAL A 96 2.580 7.282 -0.903 1.00 0.00 H new ATOM 0 HG21 VAL A 96 3.894 6.932 -3.631 1.00 0.00 H new ATOM 0 HG22 VAL A 96 3.323 5.639 -2.549 1.00 0.00 H new ATOM 0 HG23 VAL A 96 2.741 5.715 -4.229 1.00 0.00 H new ATOM 1473 N GLU A 97 -1.304 7.833 -2.916 1.00 0.00 N ATOM 1474 CA GLU A 97 -2.410 8.697 -2.487 1.00 0.00 C ATOM 1475 C GLU A 97 -3.296 7.975 -1.472 1.00 0.00 C ATOM 1476 O GLU A 97 -3.485 8.468 -0.354 1.00 0.00 O ATOM 1477 CB GLU A 97 -3.273 9.211 -3.649 1.00 0.00 C ATOM 1478 CG GLU A 97 -2.593 10.217 -4.585 1.00 0.00 C ATOM 1479 CD GLU A 97 -3.593 11.181 -5.211 1.00 0.00 C ATOM 1480 OE1 GLU A 97 -4.463 10.721 -5.994 1.00 0.00 O ATOM 1481 OE2 GLU A 97 -3.515 12.392 -4.924 1.00 0.00 O ATOM 0 H GLU A 97 -1.211 7.740 -3.927 1.00 0.00 H new ATOM 0 HA GLU A 97 -1.945 9.568 -2.026 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -3.601 8.356 -4.240 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -4.169 9.675 -3.235 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -1.845 10.782 -4.028 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -2.065 9.680 -5.373 1.00 0.00 H new ATOM 1488 N LYS A 98 -3.797 6.792 -1.835 1.00 0.00 N ATOM 1489 CA LYS A 98 -4.645 6.011 -0.949 1.00 0.00 C ATOM 1490 C LYS A 98 -3.865 5.493 0.264 1.00 0.00 C ATOM 1491 O LYS A 98 -4.461 5.358 1.333 1.00 0.00 O ATOM 1492 CB LYS A 98 -5.351 4.884 -1.737 1.00 0.00 C ATOM 1493 CG LYS A 98 -6.884 5.058 -1.740 1.00 0.00 C ATOM 1494 CD LYS A 98 -7.541 5.285 -3.101 1.00 0.00 C ATOM 1495 CE LYS A 98 -7.362 4.082 -4.030 1.00 0.00 C ATOM 1496 NZ LYS A 98 -8.470 3.920 -4.997 1.00 0.00 N ATOM 0 H LYS A 98 -3.626 6.358 -2.742 1.00 0.00 H new ATOM 0 HA LYS A 98 -5.423 6.660 -0.548 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -4.985 4.874 -2.764 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -5.096 3.919 -1.298 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -7.329 4.171 -1.290 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -7.133 5.901 -1.096 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -8.604 5.481 -2.962 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -7.111 6.171 -3.568 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -6.425 4.190 -4.576 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -7.278 3.177 -3.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -8.289 3.089 -5.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -9.364 3.788 -4.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -8.537 4.769 -5.594 1.00 0.00 H new ATOM 1510 N LEU A 99 -2.552 5.243 0.149 1.00 0.00 N ATOM 1511 CA LEU A 99 -1.737 4.860 1.302 1.00 0.00 C ATOM 1512 C LEU A 99 -1.628 6.011 2.297 1.00 0.00 C ATOM 1513 O LEU A 99 -1.722 5.780 3.502 1.00 0.00 O ATOM 1514 CB LEU A 99 -0.325 4.391 0.895 1.00 0.00 C ATOM 1515 CG LEU A 99 0.526 3.905 2.088 1.00 0.00 C ATOM 1516 CD1 LEU A 99 -0.117 2.751 2.855 1.00 0.00 C ATOM 1517 CD2 LEU A 99 1.889 3.398 1.610 1.00 0.00 C ATOM 0 H LEU A 99 -2.037 5.300 -0.730 1.00 0.00 H new ATOM 0 HA LEU A 99 -2.245 4.019 1.774 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -0.414 3.583 0.168 1.00 0.00 H new ATOM 0 HB3 LEU A 99 0.193 5.211 0.398 1.00 0.00 H new ATOM 0 HG LEU A 99 0.618 4.772 2.743 1.00 0.00 H new ATOM 0 HD11 LEU A 99 0.531 2.457 3.680 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -1.083 3.069 3.248 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -0.259 1.903 2.185 1.00 0.00 H new ATOM 0 HD21 LEU A 99 2.472 3.060 2.467 1.00 0.00 H new ATOM 0 HD22 LEU A 99 1.746 2.568 0.918 1.00 0.00 H new ATOM 0 HD23 LEU A 99 2.420 4.204 1.104 1.00 0.00 H new ATOM 1529 N ARG A 100 -1.399 7.243 1.824 1.00 0.00 N ATOM 1530 CA ARG A 100 -1.341 8.405 2.701 1.00 0.00 C ATOM 1531 C ARG A 100 -2.687 8.524 3.398 1.00 0.00 C ATOM 1532 O ARG A 100 -2.698 8.668 4.615 1.00 0.00 O ATOM 1533 CB ARG A 100 -1.029 9.725 1.958 1.00 0.00 C ATOM 1534 CG ARG A 100 0.374 9.879 1.345 1.00 0.00 C ATOM 1535 CD ARG A 100 0.551 11.295 0.767 1.00 0.00 C ATOM 1536 NE ARG A 100 1.699 11.415 -0.157 1.00 0.00 N ATOM 1537 CZ ARG A 100 1.819 12.340 -1.125 1.00 0.00 C ATOM 1538 NH1 ARG A 100 0.996 13.382 -1.193 1.00 0.00 N ATOM 1539 NH2 ARG A 100 2.781 12.219 -2.031 1.00 0.00 N ATOM 0 H ARG A 100 -1.252 7.454 0.837 1.00 0.00 H new ATOM 0 HA ARG A 100 -0.524 8.253 3.406 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -1.760 9.842 1.158 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -1.184 10.548 2.655 1.00 0.00 H new ATOM 0 HG2 ARG A 100 1.133 9.691 2.105 1.00 0.00 H new ATOM 0 HG3 ARG A 100 0.519 9.137 0.560 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -0.360 11.581 0.241 1.00 0.00 H new ATOM 0 HD3 ARG A 100 0.680 12.001 1.588 1.00 0.00 H new ATOM 0 HE ARG A 100 2.459 10.743 -0.052 1.00 0.00 H new ATOM 0 HH11 ARG A 100 0.254 13.492 -0.501 1.00 0.00 H new ATOM 0 HH12 ARG A 100 1.106 14.071 -1.937 1.00 0.00 H new ATOM 0 HH21 ARG A 100 3.423 11.428 -1.990 1.00 0.00 H new ATOM 0 HH22 ARG A 100 2.878 12.917 -2.768 1.00 0.00 H new ATOM 1553 N ASP A 101 -3.789 8.446 2.642 1.00 0.00 N ATOM 1554 CA ASP A 101 -5.164 8.734 3.077 1.00 0.00 C ATOM 1555 C ASP A 101 -5.619 7.956 4.317 1.00 0.00 C ATOM 1556 O ASP A 101 -6.477 8.430 5.060 1.00 0.00 O ATOM 1557 CB ASP A 101 -6.131 8.451 1.924 1.00 0.00 C ATOM 1558 CG ASP A 101 -7.541 8.939 2.255 1.00 0.00 C ATOM 1559 OD1 ASP A 101 -7.709 10.170 2.390 1.00 0.00 O ATOM 1560 OD2 ASP A 101 -8.456 8.084 2.319 1.00 0.00 O ATOM 0 H ASP A 101 -3.745 8.167 1.662 1.00 0.00 H new ATOM 0 HA ASP A 101 -5.172 9.786 3.361 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -5.776 8.943 1.019 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -6.152 7.381 1.718 1.00 0.00 H new ATOM 1565 N MET A 102 -5.010 6.795 4.574 1.00 0.00 N ATOM 1566 CA MET A 102 -5.239 5.979 5.763 1.00 0.00 C ATOM 1567 C MET A 102 -5.073 6.809 7.040 1.00 0.00 C ATOM 1568 O MET A 102 -5.899 6.743 7.941 1.00 0.00 O ATOM 1569 CB MET A 102 -4.250 4.808 5.781 1.00 0.00 C ATOM 1570 CG MET A 102 -4.396 3.886 4.571 1.00 0.00 C ATOM 1571 SD MET A 102 -5.978 3.009 4.489 1.00 0.00 S ATOM 1572 CE MET A 102 -5.682 2.025 3.003 1.00 0.00 C ATOM 0 H MET A 102 -4.324 6.387 3.939 1.00 0.00 H new ATOM 0 HA MET A 102 -6.261 5.601 5.728 1.00 0.00 H new ATOM 0 HB2 MET A 102 -3.233 5.199 5.813 1.00 0.00 H new ATOM 0 HB3 MET A 102 -4.397 4.229 6.692 1.00 0.00 H new ATOM 0 HG2 MET A 102 -4.273 4.476 3.663 1.00 0.00 H new ATOM 0 HG3 MET A 102 -3.589 3.154 4.587 1.00 0.00 H new ATOM 0 HE1 MET A 102 -6.636 1.741 2.559 1.00 0.00 H new ATOM 0 HE2 MET A 102 -5.109 2.612 2.286 1.00 0.00 H new ATOM 0 HE3 MET A 102 -5.122 1.127 3.266 1.00 0.00 H new ATOM 1582 N LYS A 103 -3.975 7.578 7.110 1.00 0.00 N ATOM 1583 CA LYS A 103 -3.656 8.525 8.161 1.00 0.00 C ATOM 1584 C LYS A 103 -3.995 9.947 7.707 1.00 0.00 C ATOM 1585 O LYS A 103 -4.799 10.650 8.326 1.00 0.00 O ATOM 1586 CB LYS A 103 -2.148 8.395 8.433 1.00 0.00 C ATOM 1587 CG LYS A 103 -1.827 7.222 9.365 1.00 0.00 C ATOM 1588 CD LYS A 103 -0.320 7.064 9.601 1.00 0.00 C ATOM 1589 CE LYS A 103 0.228 8.049 10.634 1.00 0.00 C ATOM 1590 NZ LYS A 103 1.696 7.930 10.763 1.00 0.00 N ATOM 0 H LYS A 103 -3.254 7.545 6.389 1.00 0.00 H new ATOM 0 HA LYS A 103 -4.232 8.320 9.063 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -1.620 8.261 7.489 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -1.779 9.320 8.876 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -2.329 7.372 10.321 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -2.224 6.301 8.938 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -0.114 6.046 9.932 1.00 0.00 H new ATOM 0 HD3 LYS A 103 0.207 7.205 8.657 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -0.032 9.067 10.343 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -0.240 7.864 11.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 1.950 7.842 11.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 2.023 7.088 10.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 2.149 8.777 10.364 1.00 0.00 H new ATOM 1604 N LYS A 104 -3.379 10.366 6.608 1.00 0.00 N ATOM 1605 CA LYS A 104 -3.144 11.690 6.092 1.00 0.00 C ATOM 1606 C LYS A 104 -2.515 12.604 7.158 1.00 0.00 C ATOM 1607 O LYS A 104 -2.342 12.223 8.312 1.00 0.00 O ATOM 1608 CB LYS A 104 -4.421 12.109 5.347 1.00 0.00 C ATOM 1609 CG LYS A 104 -4.239 13.385 4.531 1.00 0.00 C ATOM 1610 CD LYS A 104 -4.750 14.571 5.354 1.00 0.00 C ATOM 1611 CE LYS A 104 -6.208 14.863 4.983 1.00 0.00 C ATOM 1612 NZ LYS A 104 -6.296 15.791 3.839 1.00 0.00 N ATOM 0 H LYS A 104 -2.979 9.674 5.974 1.00 0.00 H new ATOM 0 HA LYS A 104 -2.362 11.760 5.336 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -4.731 11.301 4.684 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -5.225 12.256 6.068 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -3.188 13.525 4.278 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -4.786 13.314 3.591 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -4.672 14.349 6.418 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -4.133 15.450 5.166 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -6.716 13.931 4.737 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -6.725 15.291 5.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -7.295 15.969 3.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -5.831 16.689 4.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -5.823 15.370 3.014 1.00 0.00 H new ATOM 1626 N LEU A 105 -2.059 13.789 6.740 1.00 0.00 N ATOM 1627 CA LEU A 105 -1.457 14.850 7.551 1.00 0.00 C ATOM 1628 C LEU A 105 -0.197 14.472 8.349 1.00 0.00 C ATOM 1629 O LEU A 105 0.329 15.323 9.070 1.00 0.00 O ATOM 1630 CB LEU A 105 -2.536 15.497 8.452 1.00 0.00 C ATOM 1631 CG LEU A 105 -2.772 16.977 8.113 1.00 0.00 C ATOM 1632 CD1 LEU A 105 -3.957 17.507 8.924 1.00 0.00 C ATOM 1633 CD2 LEU A 105 -1.533 17.832 8.394 1.00 0.00 C ATOM 0 H LEU A 105 -2.105 14.050 5.755 1.00 0.00 H new ATOM 0 HA LEU A 105 -1.077 15.575 6.832 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -3.472 14.949 8.344 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -2.234 15.410 9.496 1.00 0.00 H new ATOM 0 HG LEU A 105 -2.987 17.044 7.047 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -4.123 18.557 8.682 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -4.851 16.933 8.680 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -3.742 17.409 9.988 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -1.743 18.871 8.141 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -1.274 17.761 9.450 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -0.699 17.473 7.791 1.00 0.00 H new ATOM 1645 N SER A 106 0.311 13.244 8.226 1.00 0.00 N ATOM 1646 CA SER A 106 1.359 12.695 9.072 1.00 0.00 C ATOM 1647 C SER A 106 2.626 13.553 8.995 1.00 0.00 C ATOM 1648 O SER A 106 3.125 13.996 10.036 1.00 0.00 O ATOM 1649 CB SER A 106 1.588 11.226 8.673 1.00 0.00 C ATOM 1650 OG SER A 106 2.543 10.568 9.487 1.00 0.00 O ATOM 0 H SER A 106 -0.009 12.589 7.512 1.00 0.00 H new ATOM 0 HA SER A 106 1.059 12.715 10.120 1.00 0.00 H new ATOM 0 HB2 SER A 106 0.641 10.689 8.729 1.00 0.00 H new ATOM 0 HB3 SER A 106 1.916 11.185 7.634 1.00 0.00 H new ATOM 0 HG SER A 106 2.996 9.874 8.964 1.00 0.00 H new ATOM 1656 N GLY A 107 3.157 13.771 7.789 1.00 0.00 N ATOM 1657 CA GLY A 107 4.427 14.449 7.576 1.00 0.00 C ATOM 1658 C GLY A 107 4.309 15.544 6.513 1.00 0.00 C ATOM 1659 O GLY A 107 3.513 15.404 5.574 1.00 0.00 O ATOM 0 H GLY A 107 2.706 13.475 6.924 1.00 0.00 H new ATOM 0 HA2 GLY A 107 4.768 14.887 8.514 1.00 0.00 H new ATOM 0 HA3 GLY A 107 5.181 13.724 7.270 1.00 0.00 H new ATOM 1663 N PRO A 108 5.109 16.618 6.618 1.00 0.00 N ATOM 1664 CA PRO A 108 5.102 17.736 5.688 1.00 0.00 C ATOM 1665 C PRO A 108 6.042 17.473 4.503 1.00 0.00 C ATOM 1666 O PRO A 108 7.042 18.168 4.323 1.00 0.00 O ATOM 1667 CB PRO A 108 5.546 18.930 6.541 1.00 0.00 C ATOM 1668 CG PRO A 108 6.591 18.297 7.451 1.00 0.00 C ATOM 1669 CD PRO A 108 5.969 16.935 7.752 1.00 0.00 C ATOM 0 HA PRO A 108 4.127 17.909 5.232 1.00 0.00 H new ATOM 0 HB2 PRO A 108 5.966 19.732 5.934 1.00 0.00 H new ATOM 0 HB3 PRO A 108 4.718 19.358 7.106 1.00 0.00 H new ATOM 0 HG2 PRO A 108 7.558 18.203 6.958 1.00 0.00 H new ATOM 0 HG3 PRO A 108 6.751 18.882 8.357 1.00 0.00 H new ATOM 0 HD2 PRO A 108 6.740 16.175 7.880 1.00 0.00 H new ATOM 0 HD3 PRO A 108 5.395 16.966 8.678 1.00 0.00 H new ATOM 1677 N SER A 109 5.765 16.446 3.700 1.00 0.00 N ATOM 1678 CA SER A 109 6.511 16.201 2.474 1.00 0.00 C ATOM 1679 C SER A 109 5.629 15.423 1.490 1.00 0.00 C ATOM 1680 O SER A 109 4.583 14.889 1.884 1.00 0.00 O ATOM 1681 CB SER A 109 7.819 15.491 2.842 1.00 0.00 C ATOM 1682 OG SER A 109 8.753 15.605 1.793 1.00 0.00 O ATOM 0 H SER A 109 5.024 15.769 3.881 1.00 0.00 H new ATOM 0 HA SER A 109 6.781 17.127 1.966 1.00 0.00 H new ATOM 0 HB2 SER A 109 8.231 15.925 3.753 1.00 0.00 H new ATOM 0 HB3 SER A 109 7.623 14.439 3.050 1.00 0.00 H new ATOM 0 HG SER A 109 9.583 15.148 2.043 1.00 0.00 H new ATOM 1688 N SER A 110 6.001 15.411 0.211 1.00 0.00 N ATOM 1689 CA SER A 110 5.213 14.890 -0.905 1.00 0.00 C ATOM 1690 C SER A 110 6.060 13.940 -1.763 1.00 0.00 C ATOM 1691 O SER A 110 7.201 13.628 -1.418 1.00 0.00 O ATOM 1692 CB SER A 110 4.664 16.064 -1.729 1.00 0.00 C ATOM 1693 OG SER A 110 3.664 16.780 -1.027 1.00 0.00 O ATOM 0 H SER A 110 6.902 15.782 -0.089 1.00 0.00 H new ATOM 0 HA SER A 110 4.370 14.313 -0.523 1.00 0.00 H new ATOM 0 HB2 SER A 110 5.480 16.739 -1.987 1.00 0.00 H new ATOM 0 HB3 SER A 110 4.252 15.689 -2.666 1.00 0.00 H new ATOM 0 HG SER A 110 3.341 17.520 -1.582 1.00 0.00 H new ATOM 1699 N GLY A 111 5.499 13.448 -2.862 1.00 0.00 N ATOM 1700 CA GLY A 111 6.011 12.415 -3.740 1.00 0.00 C ATOM 1701 C GLY A 111 4.857 11.967 -4.618 1.00 0.00 C ATOM 1702 O GLY A 111 3.814 12.681 -4.633 1.00 0.00 O ATOM 0 H GLY A 111 4.596 13.796 -3.185 1.00 0.00 H new ATOM 0 HA2 GLY A 111 6.832 12.797 -4.347 1.00 0.00 H new ATOM 0 HA3 GLY A 111 6.404 11.578 -3.163 1.00 0.00 H new TER 1706 GLY A 111