USER MOD reduce.3.24.130724 H: found=0, std=0, add=858, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 852 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 78 ASN : amide:sc= -0.0689 K(o=-0.41,f=-2.8!) USER MOD Set 1.2: A 97 GLN : amide:sc= -0.342 K(o=-0.41,f=-4!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 46:sc= 0.169 USER MOD Single : A 3 SER OG : rot 117:sc= -0.0971 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 HIS : no HD1:sc= -0.727 K(o=-0.73,f=-4.4!) USER MOD Single : A 9 TYR OH : rot 40:sc= -0.294 USER MOD Single : A 13 HIS : no HD1:sc= -0.522 X(o=-0.52,f=-0.024) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0.147 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 HIS :FLIP no HE2:sc= 0.00695 F(o=-0.54,f=0.0069) USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.222 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= -0.286 K(o=-0.29,f=-2.7!) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 166:sc= -0.101 (180deg=-0.17) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 64 GLN : amide:sc= -0.0155 X(o=-0.016,f=0) USER MOD Single : A 65 THR OG1 : rot -96:sc= 0.787 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 72 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 73 GLN : amide:sc= -1.39 K(o=-1.4,f=-4.4) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc=-0.00484 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 THR OG1 : rot -87:sc= 0.421 USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 GLN : amide:sc= -0.241 X(o=-0.24,f=-0.028) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 96 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 104 CYS SG : rot 180:sc= -0.0388 USER MOD Single : A 110 ASN : amide:sc= -0.614 K(o=-0.61,f=-1.1) USER MOD Single : A 111 MET CE :methyl -169:sc= -0.0973 (180deg=-0.224) USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -17.612 1.522 4.376 1.00 0.00 N ATOM 2 CA GLY A 1 -18.480 0.386 4.641 1.00 0.00 C ATOM 3 C GLY A 1 -18.251 -0.728 3.619 1.00 0.00 C ATOM 4 O GLY A 1 -18.320 -0.495 2.414 1.00 0.00 O ATOM 0 H1 GLY A 1 -17.786 2.265 5.083 1.00 0.00 H new ATOM 0 H2 GLY A 1 -16.618 1.220 4.429 1.00 0.00 H new ATOM 0 H3 GLY A 1 -17.810 1.896 3.426 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -18.293 0.007 5.646 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -19.522 0.705 4.610 1.00 0.00 H new ATOM 8 N SER A 2 -17.984 -1.918 4.139 1.00 0.00 N ATOM 9 CA SER A 2 -17.745 -3.070 3.287 1.00 0.00 C ATOM 10 C SER A 2 -17.842 -4.357 4.108 1.00 0.00 C ATOM 11 O SER A 2 -18.648 -5.234 3.801 1.00 0.00 O ATOM 12 CB SER A 2 -16.378 -2.977 2.605 1.00 0.00 C ATOM 13 OG SER A 2 -16.486 -2.567 1.245 1.00 0.00 O ATOM 0 H SER A 2 -17.928 -2.108 5.140 1.00 0.00 H new ATOM 0 HA SER A 2 -18.509 -3.084 2.509 1.00 0.00 H new ATOM 0 HB2 SER A 2 -15.750 -2.271 3.148 1.00 0.00 H new ATOM 0 HB3 SER A 2 -15.882 -3.947 2.653 1.00 0.00 H new ATOM 0 HG SER A 2 -17.102 -1.808 1.180 1.00 0.00 H new ATOM 19 N SER A 3 -17.008 -4.430 5.135 1.00 0.00 N ATOM 20 CA SER A 3 -16.989 -5.596 6.002 1.00 0.00 C ATOM 21 C SER A 3 -17.609 -5.250 7.357 1.00 0.00 C ATOM 22 O SER A 3 -17.720 -4.076 7.712 1.00 0.00 O ATOM 23 CB SER A 3 -15.565 -6.122 6.189 1.00 0.00 C ATOM 24 OG SER A 3 -15.518 -7.230 7.084 1.00 0.00 O ATOM 0 H SER A 3 -16.341 -3.701 5.386 1.00 0.00 H new ATOM 0 HA SER A 3 -17.578 -6.382 5.530 1.00 0.00 H new ATOM 0 HB2 SER A 3 -15.159 -6.419 5.222 1.00 0.00 H new ATOM 0 HB3 SER A 3 -14.930 -5.322 6.569 1.00 0.00 H new ATOM 0 HG SER A 3 -15.196 -8.023 6.606 1.00 0.00 H new ATOM 30 N GLY A 4 -17.995 -6.291 8.080 1.00 0.00 N ATOM 31 CA GLY A 4 -18.599 -6.112 9.389 1.00 0.00 C ATOM 32 C GLY A 4 -18.025 -7.106 10.400 1.00 0.00 C ATOM 33 O GLY A 4 -17.029 -6.819 11.061 1.00 0.00 O ATOM 0 H GLY A 4 -17.901 -7.262 7.783 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -18.426 -5.094 9.737 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -19.678 -6.245 9.316 1.00 0.00 H new ATOM 37 N SER A 5 -18.679 -8.254 10.488 1.00 0.00 N ATOM 38 CA SER A 5 -18.246 -9.294 11.407 1.00 0.00 C ATOM 39 C SER A 5 -17.015 -10.009 10.845 1.00 0.00 C ATOM 40 O SER A 5 -17.129 -10.815 9.923 1.00 0.00 O ATOM 41 CB SER A 5 -19.369 -10.298 11.671 1.00 0.00 C ATOM 42 OG SER A 5 -20.604 -9.652 11.967 1.00 0.00 O ATOM 0 H SER A 5 -19.506 -8.488 9.938 1.00 0.00 H new ATOM 0 HA SER A 5 -17.985 -8.825 12.356 1.00 0.00 H new ATOM 0 HB2 SER A 5 -19.495 -10.939 10.798 1.00 0.00 H new ATOM 0 HB3 SER A 5 -19.089 -10.944 12.503 1.00 0.00 H new ATOM 0 HG SER A 5 -21.296 -10.327 12.128 1.00 0.00 H new ATOM 48 N SER A 6 -15.868 -9.688 11.425 1.00 0.00 N ATOM 49 CA SER A 6 -14.617 -10.290 10.993 1.00 0.00 C ATOM 50 C SER A 6 -14.340 -9.931 9.532 1.00 0.00 C ATOM 51 O SER A 6 -15.228 -10.029 8.686 1.00 0.00 O ATOM 52 CB SER A 6 -14.648 -11.809 11.171 1.00 0.00 C ATOM 53 OG SER A 6 -13.532 -12.282 11.921 1.00 0.00 O ATOM 0 H SER A 6 -15.778 -9.019 12.190 1.00 0.00 H new ATOM 0 HA SER A 6 -13.814 -9.895 11.615 1.00 0.00 H new ATOM 0 HB2 SER A 6 -15.571 -12.096 11.675 1.00 0.00 H new ATOM 0 HB3 SER A 6 -14.656 -12.289 10.192 1.00 0.00 H new ATOM 0 HG SER A 6 -13.589 -13.256 12.014 1.00 0.00 H new ATOM 59 N GLY A 7 -13.105 -9.523 9.280 1.00 0.00 N ATOM 60 CA GLY A 7 -12.700 -9.149 7.936 1.00 0.00 C ATOM 61 C GLY A 7 -11.358 -9.787 7.571 1.00 0.00 C ATOM 62 O GLY A 7 -10.359 -9.089 7.402 1.00 0.00 O ATOM 0 H GLY A 7 -12.371 -9.443 9.984 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -13.462 -9.462 7.222 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -12.623 -8.064 7.864 1.00 0.00 H new ATOM 66 N HIS A 8 -11.378 -11.107 7.459 1.00 0.00 N ATOM 67 CA HIS A 8 -10.175 -11.847 7.116 1.00 0.00 C ATOM 68 C HIS A 8 -10.266 -12.332 5.669 1.00 0.00 C ATOM 69 O HIS A 8 -11.330 -12.271 5.054 1.00 0.00 O ATOM 70 CB HIS A 8 -9.937 -12.986 8.110 1.00 0.00 C ATOM 71 CG HIS A 8 -8.731 -13.837 7.790 1.00 0.00 C ATOM 72 ND1 HIS A 8 -7.489 -13.300 7.501 1.00 0.00 N ATOM 73 CD2 HIS A 8 -8.590 -15.193 7.718 1.00 0.00 C ATOM 74 CE1 HIS A 8 -6.646 -14.295 7.266 1.00 0.00 C ATOM 75 NE2 HIS A 8 -7.331 -15.468 7.400 1.00 0.00 N ATOM 0 H HIS A 8 -12.208 -11.683 7.600 1.00 0.00 H new ATOM 0 HA HIS A 8 -9.307 -11.192 7.188 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -9.817 -12.565 9.108 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -10.822 -13.622 8.137 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -9.371 -15.919 7.891 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -5.601 -14.195 7.013 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -6.940 -16.402 7.276 1.00 0.00 H new ATOM 83 N TYR A 9 -9.135 -12.804 5.165 1.00 0.00 N ATOM 84 CA TYR A 9 -9.074 -13.301 3.800 1.00 0.00 C ATOM 85 C TYR A 9 -8.834 -14.811 3.775 1.00 0.00 C ATOM 86 O TYR A 9 -8.554 -15.416 4.809 1.00 0.00 O ATOM 87 CB TYR A 9 -7.881 -12.597 3.149 1.00 0.00 C ATOM 88 CG TYR A 9 -8.195 -11.194 2.626 1.00 0.00 C ATOM 89 CD1 TYR A 9 -8.071 -10.102 3.462 1.00 0.00 C ATOM 90 CD2 TYR A 9 -8.603 -11.020 1.319 1.00 0.00 C ATOM 91 CE1 TYR A 9 -8.367 -8.781 2.970 1.00 0.00 C ATOM 92 CE2 TYR A 9 -8.900 -9.699 0.827 1.00 0.00 C ATOM 93 CZ TYR A 9 -8.767 -8.645 1.677 1.00 0.00 C ATOM 94 OH TYR A 9 -9.046 -7.398 1.213 1.00 0.00 O ATOM 0 H TYR A 9 -8.254 -12.853 5.677 1.00 0.00 H new ATOM 0 HA TYR A 9 -10.011 -13.106 3.279 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -7.071 -12.530 3.876 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -7.518 -13.209 2.323 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -7.752 -10.238 4.485 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -8.700 -11.874 0.665 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -8.274 -7.918 3.613 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -9.221 -9.549 -0.193 1.00 0.00 H new ATOM 0 HH TYR A 9 -8.390 -6.762 1.568 1.00 0.00 H new ATOM 104 N ILE A 10 -8.955 -15.378 2.583 1.00 0.00 N ATOM 105 CA ILE A 10 -8.755 -16.807 2.411 1.00 0.00 C ATOM 106 C ILE A 10 -7.255 -17.109 2.388 1.00 0.00 C ATOM 107 O ILE A 10 -6.840 -18.230 2.677 1.00 0.00 O ATOM 108 CB ILE A 10 -9.502 -17.306 1.172 1.00 0.00 C ATOM 109 CG1 ILE A 10 -8.873 -16.753 -0.107 1.00 0.00 C ATOM 110 CG2 ILE A 10 -10.995 -16.983 1.265 1.00 0.00 C ATOM 111 CD1 ILE A 10 -9.462 -17.431 -1.346 1.00 0.00 C ATOM 0 H ILE A 10 -9.189 -14.874 1.728 1.00 0.00 H new ATOM 0 HA ILE A 10 -9.178 -17.355 3.253 1.00 0.00 H new ATOM 0 HB ILE A 10 -9.410 -18.391 1.131 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -9.040 -15.677 -0.163 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -7.794 -16.907 -0.082 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -11.503 -17.348 0.372 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -11.418 -17.466 2.146 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -11.130 -15.904 1.343 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -8.997 -17.019 -2.242 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -9.272 -18.503 -1.299 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -10.537 -17.254 -1.381 1.00 0.00 H new ATOM 123 N PHE A 11 -6.484 -16.090 2.042 1.00 0.00 N ATOM 124 CA PHE A 11 -5.040 -16.231 1.977 1.00 0.00 C ATOM 125 C PHE A 11 -4.367 -15.538 3.164 1.00 0.00 C ATOM 126 O PHE A 11 -4.978 -14.701 3.826 1.00 0.00 O ATOM 127 CB PHE A 11 -4.581 -15.558 0.682 1.00 0.00 C ATOM 128 CG PHE A 11 -5.201 -14.179 0.444 1.00 0.00 C ATOM 129 CD1 PHE A 11 -4.821 -13.122 1.210 1.00 0.00 C ATOM 130 CD2 PHE A 11 -6.131 -14.012 -0.534 1.00 0.00 C ATOM 131 CE1 PHE A 11 -5.397 -11.843 0.989 1.00 0.00 C ATOM 132 CE2 PHE A 11 -6.706 -12.733 -0.755 1.00 0.00 C ATOM 133 CZ PHE A 11 -6.327 -11.675 0.011 1.00 0.00 C ATOM 0 H PHE A 11 -6.833 -15.162 1.803 1.00 0.00 H new ATOM 0 HA PHE A 11 -4.769 -17.286 2.005 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -3.496 -15.459 0.701 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -4.827 -16.206 -0.159 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -4.082 -13.255 1.986 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -6.432 -14.852 -1.142 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -5.096 -11.003 1.598 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -7.445 -12.600 -1.532 1.00 0.00 H new ATOM 0 HZ PHE A 11 -6.764 -10.702 -0.157 1.00 0.00 H new ATOM 143 N PRO A 12 -3.085 -15.923 3.404 1.00 0.00 N ATOM 144 CA PRO A 12 -2.323 -15.349 4.499 1.00 0.00 C ATOM 145 C PRO A 12 -1.868 -13.927 4.164 1.00 0.00 C ATOM 146 O PRO A 12 -1.127 -13.718 3.207 1.00 0.00 O ATOM 147 CB PRO A 12 -1.163 -16.308 4.717 1.00 0.00 C ATOM 148 CG PRO A 12 -1.056 -17.129 3.443 1.00 0.00 C ATOM 149 CD PRO A 12 -2.330 -16.914 2.641 1.00 0.00 C ATOM 0 HA PRO A 12 -2.911 -15.243 5.410 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -0.238 -15.765 4.910 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -1.343 -16.949 5.580 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -0.184 -16.823 2.864 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -0.927 -18.185 3.679 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -2.109 -16.556 1.636 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -2.891 -17.842 2.533 1.00 0.00 H new ATOM 157 N HIS A 13 -2.334 -12.985 4.973 1.00 0.00 N ATOM 158 CA HIS A 13 -1.985 -11.589 4.775 1.00 0.00 C ATOM 159 C HIS A 13 -1.529 -10.981 6.102 1.00 0.00 C ATOM 160 O HIS A 13 -1.770 -11.550 7.165 1.00 0.00 O ATOM 161 CB HIS A 13 -3.147 -10.824 4.140 1.00 0.00 C ATOM 162 CG HIS A 13 -4.129 -10.259 5.140 1.00 0.00 C ATOM 163 ND1 HIS A 13 -4.390 -8.905 5.252 1.00 0.00 N ATOM 164 CD2 HIS A 13 -4.910 -10.879 6.070 1.00 0.00 C ATOM 165 CE1 HIS A 13 -5.288 -8.729 6.209 1.00 0.00 C ATOM 166 NE2 HIS A 13 -5.608 -9.954 6.717 1.00 0.00 N ATOM 0 H HIS A 13 -2.950 -13.162 5.766 1.00 0.00 H new ATOM 0 HA HIS A 13 -1.152 -11.514 4.076 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -2.746 -10.008 3.539 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -3.679 -11.490 3.460 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -4.953 -11.943 6.250 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -5.696 -7.782 6.531 1.00 0.00 H new ATOM 0 HE2 HIS A 13 -6.274 -10.130 7.470 1.00 0.00 H new ATOM 174 N ALA A 14 -0.876 -9.833 5.996 1.00 0.00 N ATOM 175 CA ALA A 14 -0.383 -9.140 7.175 1.00 0.00 C ATOM 176 C ALA A 14 -0.921 -7.709 7.183 1.00 0.00 C ATOM 177 O ALA A 14 -0.437 -6.855 6.440 1.00 0.00 O ATOM 178 CB ALA A 14 1.147 -9.189 7.193 1.00 0.00 C ATOM 0 H ALA A 14 -0.677 -9.365 5.112 1.00 0.00 H new ATOM 0 HA ALA A 14 -0.736 -9.629 8.083 1.00 0.00 H new ATOM 0 HB1 ALA A 14 1.517 -8.670 8.077 1.00 0.00 H new ATOM 0 HB2 ALA A 14 1.478 -10.227 7.217 1.00 0.00 H new ATOM 0 HB3 ALA A 14 1.537 -8.705 6.298 1.00 0.00 H new ATOM 184 N ARG A 15 -1.915 -7.488 8.031 1.00 0.00 N ATOM 185 CA ARG A 15 -2.525 -6.174 8.145 1.00 0.00 C ATOM 186 C ARG A 15 -1.847 -5.370 9.256 1.00 0.00 C ATOM 187 O ARG A 15 -2.147 -5.557 10.434 1.00 0.00 O ATOM 188 CB ARG A 15 -4.020 -6.285 8.445 1.00 0.00 C ATOM 189 CG ARG A 15 -4.830 -5.346 7.550 1.00 0.00 C ATOM 190 CD ARG A 15 -5.271 -4.099 8.319 1.00 0.00 C ATOM 191 NE ARG A 15 -6.748 -4.008 8.333 1.00 0.00 N ATOM 192 CZ ARG A 15 -7.532 -4.642 9.216 1.00 0.00 C ATOM 193 NH1 ARG A 15 -6.984 -5.416 10.162 1.00 0.00 N ATOM 194 NH2 ARG A 15 -8.862 -4.501 9.153 1.00 0.00 N ATOM 0 H ARG A 15 -2.313 -8.197 8.646 1.00 0.00 H new ATOM 0 HA ARG A 15 -2.395 -5.664 7.191 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -4.350 -7.313 8.293 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -4.203 -6.043 9.492 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -4.231 -5.053 6.688 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -5.706 -5.869 7.166 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -4.891 -4.138 9.340 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -4.848 -3.208 7.856 1.00 0.00 H new ATOM 0 HE ARG A 15 -7.198 -3.426 7.626 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -5.971 -5.523 10.210 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -7.580 -5.899 10.834 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -9.279 -3.911 8.433 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -9.458 -4.984 9.825 1.00 0.00 H new ATOM 208 N ILE A 16 -0.945 -4.492 8.841 1.00 0.00 N ATOM 209 CA ILE A 16 -0.222 -3.658 9.787 1.00 0.00 C ATOM 210 C ILE A 16 -0.507 -2.187 9.484 1.00 0.00 C ATOM 211 O ILE A 16 -0.634 -1.801 8.323 1.00 0.00 O ATOM 212 CB ILE A 16 1.267 -4.010 9.783 1.00 0.00 C ATOM 213 CG1 ILE A 16 1.502 -5.408 10.358 1.00 0.00 C ATOM 214 CG2 ILE A 16 2.085 -2.945 10.514 1.00 0.00 C ATOM 215 CD1 ILE A 16 1.306 -6.482 9.286 1.00 0.00 C ATOM 0 H ILE A 16 -0.698 -4.340 7.863 1.00 0.00 H new ATOM 0 HA ILE A 16 -0.567 -3.847 10.803 1.00 0.00 H new ATOM 0 HB ILE A 16 1.611 -4.025 8.749 1.00 0.00 H new ATOM 0 HG12 ILE A 16 2.512 -5.473 10.763 1.00 0.00 H new ATOM 0 HG13 ILE A 16 0.815 -5.585 11.185 1.00 0.00 H new ATOM 0 HG21 ILE A 16 3.140 -3.220 10.496 1.00 0.00 H new ATOM 0 HG22 ILE A 16 1.953 -1.982 10.020 1.00 0.00 H new ATOM 0 HG23 ILE A 16 1.747 -2.872 11.548 1.00 0.00 H new ATOM 0 HD11 ILE A 16 1.479 -7.466 9.721 1.00 0.00 H new ATOM 0 HD12 ILE A 16 0.288 -6.430 8.900 1.00 0.00 H new ATOM 0 HD13 ILE A 16 2.011 -6.316 8.472 1.00 0.00 H new ATOM 227 N LYS A 17 -0.598 -1.403 10.549 1.00 0.00 N ATOM 228 CA LYS A 17 -0.865 0.019 10.412 1.00 0.00 C ATOM 229 C LYS A 17 0.452 0.792 10.496 1.00 0.00 C ATOM 230 O LYS A 17 1.429 0.300 11.057 1.00 0.00 O ATOM 231 CB LYS A 17 -1.909 0.468 11.436 1.00 0.00 C ATOM 232 CG LYS A 17 -1.348 0.398 12.858 1.00 0.00 C ATOM 233 CD LYS A 17 -2.092 1.359 13.788 1.00 0.00 C ATOM 234 CE LYS A 17 -2.371 0.704 15.142 1.00 0.00 C ATOM 235 NZ LYS A 17 -3.763 0.971 15.569 1.00 0.00 N ATOM 0 H LYS A 17 -0.491 -1.726 11.511 1.00 0.00 H new ATOM 0 HA LYS A 17 -1.298 0.233 9.435 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -2.225 1.488 11.216 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -2.794 -0.163 11.359 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -1.434 -0.620 13.237 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -0.287 0.646 12.847 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -1.500 2.263 13.932 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -3.031 1.663 13.327 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -2.205 -0.371 15.074 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -1.675 1.087 15.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -3.936 0.520 16.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -3.909 1.997 15.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -4.423 0.584 14.864 1.00 0.00 H new ATOM 249 N ILE A 18 0.436 1.989 9.928 1.00 0.00 N ATOM 250 CA ILE A 18 1.618 2.835 9.933 1.00 0.00 C ATOM 251 C ILE A 18 1.286 4.164 10.614 1.00 0.00 C ATOM 252 O ILE A 18 0.435 4.914 10.138 1.00 0.00 O ATOM 253 CB ILE A 18 2.169 2.992 8.514 1.00 0.00 C ATOM 254 CG1 ILE A 18 2.283 1.635 7.817 1.00 0.00 C ATOM 255 CG2 ILE A 18 3.502 3.744 8.524 1.00 0.00 C ATOM 256 CD1 ILE A 18 1.781 1.715 6.373 1.00 0.00 C ATOM 0 H ILE A 18 -0.376 2.393 9.461 1.00 0.00 H new ATOM 0 HA ILE A 18 2.417 2.371 10.512 1.00 0.00 H new ATOM 0 HB ILE A 18 1.464 3.592 7.938 1.00 0.00 H new ATOM 0 HG12 ILE A 18 3.321 1.303 7.827 1.00 0.00 H new ATOM 0 HG13 ILE A 18 1.706 0.891 8.366 1.00 0.00 H new ATOM 0 HG21 ILE A 18 3.872 3.842 7.503 1.00 0.00 H new ATOM 0 HG22 ILE A 18 3.358 4.735 8.954 1.00 0.00 H new ATOM 0 HG23 ILE A 18 4.227 3.191 9.121 1.00 0.00 H new ATOM 0 HD11 ILE A 18 1.873 0.737 5.901 1.00 0.00 H new ATOM 0 HD12 ILE A 18 0.735 2.023 6.368 1.00 0.00 H new ATOM 0 HD13 ILE A 18 2.376 2.442 5.821 1.00 0.00 H new ATOM 268 N THR A 19 1.975 4.415 11.717 1.00 0.00 N ATOM 269 CA THR A 19 1.765 5.641 12.469 1.00 0.00 C ATOM 270 C THR A 19 2.609 6.776 11.885 1.00 0.00 C ATOM 271 O THR A 19 3.704 6.541 11.375 1.00 0.00 O ATOM 272 CB THR A 19 2.068 5.352 13.940 1.00 0.00 C ATOM 273 OG1 THR A 19 2.932 4.219 13.900 1.00 0.00 O ATOM 274 CG2 THR A 19 0.839 4.856 14.704 1.00 0.00 C ATOM 0 H THR A 19 2.680 3.790 12.109 1.00 0.00 H new ATOM 0 HA THR A 19 0.731 5.977 12.396 1.00 0.00 H new ATOM 0 HB THR A 19 2.452 6.254 14.416 1.00 0.00 H new ATOM 0 HG1 THR A 19 3.180 3.964 14.813 1.00 0.00 H new ATOM 0 HG21 THR A 19 1.109 4.666 15.743 1.00 0.00 H new ATOM 0 HG22 THR A 19 0.056 5.614 14.665 1.00 0.00 H new ATOM 0 HG23 THR A 19 0.475 3.935 14.249 1.00 0.00 H new ATOM 282 N ARG A 20 2.070 7.982 11.981 1.00 0.00 N ATOM 283 CA ARG A 20 2.759 9.153 11.470 1.00 0.00 C ATOM 284 C ARG A 20 3.695 9.726 12.537 1.00 0.00 C ATOM 285 O ARG A 20 3.346 9.770 13.715 1.00 0.00 O ATOM 286 CB ARG A 20 1.766 10.234 11.040 1.00 0.00 C ATOM 287 CG ARG A 20 2.482 11.387 10.332 1.00 0.00 C ATOM 288 CD ARG A 20 2.225 11.349 8.824 1.00 0.00 C ATOM 289 NE ARG A 20 2.927 12.470 8.162 1.00 0.00 N ATOM 290 CZ ARG A 20 2.448 13.720 8.090 1.00 0.00 C ATOM 291 NH1 ARG A 20 1.262 14.015 8.639 1.00 0.00 N ATOM 292 NH2 ARG A 20 3.156 14.674 7.470 1.00 0.00 N ATOM 0 H ARG A 20 1.163 8.173 12.406 1.00 0.00 H new ATOM 0 HA ARG A 20 3.339 8.842 10.601 1.00 0.00 H new ATOM 0 HB2 ARG A 20 1.019 9.802 10.375 1.00 0.00 H new ATOM 0 HB3 ARG A 20 1.235 10.613 11.913 1.00 0.00 H new ATOM 0 HG2 ARG A 20 2.138 12.338 10.739 1.00 0.00 H new ATOM 0 HG3 ARG A 20 3.553 11.327 10.524 1.00 0.00 H new ATOM 0 HD2 ARG A 20 2.569 10.400 8.412 1.00 0.00 H new ATOM 0 HD3 ARG A 20 1.155 11.413 8.628 1.00 0.00 H new ATOM 0 HE ARG A 20 3.833 12.280 7.733 1.00 0.00 H new ATOM 0 HH11 ARG A 20 0.724 13.289 9.112 1.00 0.00 H new ATOM 0 HH12 ARG A 20 0.897 14.966 8.584 1.00 0.00 H new ATOM 0 HH21 ARG A 20 4.059 14.449 7.053 1.00 0.00 H new ATOM 0 HH22 ARG A 20 2.792 15.625 7.415 1.00 0.00 H new ATOM 306 N ASP A 21 4.866 10.150 12.085 1.00 0.00 N ATOM 307 CA ASP A 21 5.855 10.718 12.986 1.00 0.00 C ATOM 308 C ASP A 21 5.851 12.242 12.845 1.00 0.00 C ATOM 309 O ASP A 21 5.992 12.767 11.742 1.00 0.00 O ATOM 310 CB ASP A 21 7.260 10.215 12.650 1.00 0.00 C ATOM 311 CG ASP A 21 7.682 8.939 13.381 1.00 0.00 C ATOM 312 OD1 ASP A 21 7.184 7.865 12.980 1.00 0.00 O ATOM 313 OD2 ASP A 21 8.493 9.067 14.323 1.00 0.00 O ATOM 0 H ASP A 21 5.152 10.112 11.107 1.00 0.00 H new ATOM 0 HA ASP A 21 5.598 10.417 14.002 1.00 0.00 H new ATOM 0 HB2 ASP A 21 7.319 10.037 11.576 1.00 0.00 H new ATOM 0 HB3 ASP A 21 7.977 11.003 12.882 1.00 0.00 H new ATOM 318 N SER A 22 5.691 12.909 13.979 1.00 0.00 N ATOM 319 CA SER A 22 5.667 14.362 13.995 1.00 0.00 C ATOM 320 C SER A 22 7.095 14.907 14.063 1.00 0.00 C ATOM 321 O SER A 22 7.722 14.883 15.122 1.00 0.00 O ATOM 322 CB SER A 22 4.842 14.886 15.172 1.00 0.00 C ATOM 323 OG SER A 22 3.485 15.127 14.807 1.00 0.00 O ATOM 0 H SER A 22 5.577 12.470 14.893 1.00 0.00 H new ATOM 0 HA SER A 22 5.196 14.707 13.075 1.00 0.00 H new ATOM 0 HB2 SER A 22 4.875 14.164 15.988 1.00 0.00 H new ATOM 0 HB3 SER A 22 5.287 15.809 15.544 1.00 0.00 H new ATOM 0 HG SER A 22 2.991 15.459 15.586 1.00 0.00 H new ATOM 329 N LYS A 23 7.567 15.386 12.922 1.00 0.00 N ATOM 330 CA LYS A 23 8.909 15.935 12.839 1.00 0.00 C ATOM 331 C LYS A 23 9.929 14.813 13.037 1.00 0.00 C ATOM 332 O LYS A 23 9.680 13.868 13.783 1.00 0.00 O ATOM 333 CB LYS A 23 9.074 17.097 13.822 1.00 0.00 C ATOM 334 CG LYS A 23 8.838 18.440 13.129 1.00 0.00 C ATOM 335 CD LYS A 23 10.035 19.373 13.318 1.00 0.00 C ATOM 336 CE LYS A 23 9.604 20.840 13.255 1.00 0.00 C ATOM 337 NZ LYS A 23 10.782 21.731 13.334 1.00 0.00 N ATOM 0 H LYS A 23 7.044 15.405 12.047 1.00 0.00 H new ATOM 0 HA LYS A 23 9.087 16.356 11.850 1.00 0.00 H new ATOM 0 HB2 LYS A 23 8.372 16.982 14.648 1.00 0.00 H new ATOM 0 HB3 LYS A 23 10.076 17.076 14.250 1.00 0.00 H new ATOM 0 HG2 LYS A 23 8.663 18.278 12.065 1.00 0.00 H new ATOM 0 HG3 LYS A 23 7.940 18.908 13.532 1.00 0.00 H new ATOM 0 HD2 LYS A 23 10.510 19.171 14.278 1.00 0.00 H new ATOM 0 HD3 LYS A 23 10.779 19.176 12.547 1.00 0.00 H new ATOM 0 HE2 LYS A 23 9.062 21.026 12.328 1.00 0.00 H new ATOM 0 HE3 LYS A 23 8.919 21.059 14.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 10.471 22.722 13.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 11.283 21.565 14.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 11.421 21.533 12.538 1.00 0.00 H new ATOM 351 N ASP A 24 11.057 14.954 12.356 1.00 0.00 N ATOM 352 CA ASP A 24 12.116 13.965 12.448 1.00 0.00 C ATOM 353 C ASP A 24 13.354 14.476 11.709 1.00 0.00 C ATOM 354 O ASP A 24 14.412 14.653 12.310 1.00 0.00 O ATOM 355 CB ASP A 24 11.693 12.644 11.801 1.00 0.00 C ATOM 356 CG ASP A 24 12.518 11.425 12.218 1.00 0.00 C ATOM 357 OD1 ASP A 24 13.744 11.601 12.390 1.00 0.00 O ATOM 358 OD2 ASP A 24 11.906 10.345 12.356 1.00 0.00 O ATOM 0 H ASP A 24 11.260 15.739 11.738 1.00 0.00 H new ATOM 0 HA ASP A 24 12.330 13.799 13.504 1.00 0.00 H new ATOM 0 HB2 ASP A 24 10.647 12.456 12.044 1.00 0.00 H new ATOM 0 HB3 ASP A 24 11.754 12.752 10.718 1.00 0.00 H new ATOM 363 N HIS A 25 13.180 14.702 10.415 1.00 0.00 N ATOM 364 CA HIS A 25 14.269 15.192 9.587 1.00 0.00 C ATOM 365 C HIS A 25 13.757 15.467 8.173 1.00 0.00 C ATOM 366 O HIS A 25 14.178 14.815 7.218 1.00 0.00 O ATOM 367 CB HIS A 25 15.449 14.217 9.611 1.00 0.00 C ATOM 368 CG HIS A 25 16.710 14.764 8.985 1.00 0.00 C ATOM 369 ND1 HIS A 25 17.037 14.973 7.677 1.00 0.00 N flip ATOM 370 CD2 HIS A 25 17.805 15.162 9.730 1.00 0.00 C flip ATOM 371 CE1 HIS A 25 18.265 15.474 7.627 1.00 0.00 C flip ATOM 372 NE2 HIS A 25 18.744 15.591 8.898 1.00 0.00 N flip ATOM 0 H HIS A 25 12.301 14.555 9.919 1.00 0.00 H new ATOM 0 HA HIS A 25 14.641 16.134 9.990 1.00 0.00 H new ATOM 0 HB2 HIS A 25 15.659 13.942 10.645 1.00 0.00 H new ATOM 0 HB3 HIS A 25 15.163 13.304 9.089 1.00 0.00 H new ATOM 0 HD1 HIS A 25 16.439 14.777 6.874 1.00 0.00 H new ATOM 0 HD2 HIS A 25 17.882 15.129 10.807 1.00 0.00 H new ATOM 0 HE1 HIS A 25 18.797 15.745 6.727 1.00 0.00 H new ATOM 380 N THR A 26 12.853 16.432 8.083 1.00 0.00 N ATOM 381 CA THR A 26 12.278 16.801 6.801 1.00 0.00 C ATOM 382 C THR A 26 11.661 18.200 6.877 1.00 0.00 C ATOM 383 O THR A 26 11.451 18.731 7.965 1.00 0.00 O ATOM 384 CB THR A 26 11.276 15.716 6.402 1.00 0.00 C ATOM 385 OG1 THR A 26 10.839 16.107 5.102 1.00 0.00 O ATOM 386 CG2 THR A 26 10.002 15.755 7.249 1.00 0.00 C ATOM 0 H THR A 26 12.505 16.969 8.877 1.00 0.00 H new ATOM 0 HA THR A 26 13.042 16.858 6.026 1.00 0.00 H new ATOM 0 HB THR A 26 11.746 14.737 6.496 1.00 0.00 H new ATOM 0 HG1 THR A 26 10.187 15.456 4.767 1.00 0.00 H new ATOM 0 HG21 THR A 26 9.325 14.965 6.925 1.00 0.00 H new ATOM 0 HG22 THR A 26 10.258 15.606 8.298 1.00 0.00 H new ATOM 0 HG23 THR A 26 9.514 16.722 7.128 1.00 0.00 H new ATOM 394 N VAL A 27 11.388 18.755 5.704 1.00 0.00 N ATOM 395 CA VAL A 27 10.800 20.081 5.624 1.00 0.00 C ATOM 396 C VAL A 27 10.045 20.220 4.300 1.00 0.00 C ATOM 397 O VAL A 27 10.320 21.127 3.517 1.00 0.00 O ATOM 398 CB VAL A 27 11.883 21.146 5.809 1.00 0.00 C ATOM 399 CG1 VAL A 27 12.844 21.164 4.618 1.00 0.00 C ATOM 400 CG2 VAL A 27 11.262 22.526 6.033 1.00 0.00 C ATOM 0 H VAL A 27 11.563 18.310 4.803 1.00 0.00 H new ATOM 0 HA VAL A 27 10.078 20.228 6.427 1.00 0.00 H new ATOM 0 HB VAL A 27 12.457 20.888 6.699 1.00 0.00 H new ATOM 0 HG11 VAL A 27 13.604 21.930 4.775 1.00 0.00 H new ATOM 0 HG12 VAL A 27 13.324 20.190 4.523 1.00 0.00 H new ATOM 0 HG13 VAL A 27 12.289 21.385 3.706 1.00 0.00 H new ATOM 0 HG21 VAL A 27 12.053 23.265 6.162 1.00 0.00 H new ATOM 0 HG22 VAL A 27 10.652 22.795 5.171 1.00 0.00 H new ATOM 0 HG23 VAL A 27 10.638 22.504 6.926 1.00 0.00 H new ATOM 410 N SER A 28 9.108 19.307 4.092 1.00 0.00 N ATOM 411 CA SER A 28 8.311 19.315 2.877 1.00 0.00 C ATOM 412 C SER A 28 6.924 18.736 3.156 1.00 0.00 C ATOM 413 O SER A 28 5.912 19.400 2.933 1.00 0.00 O ATOM 414 CB SER A 28 9.000 18.528 1.761 1.00 0.00 C ATOM 415 OG SER A 28 8.122 18.270 0.669 1.00 0.00 O ATOM 0 H SER A 28 8.883 18.556 4.745 1.00 0.00 H new ATOM 0 HA SER A 28 8.206 20.348 2.545 1.00 0.00 H new ATOM 0 HB2 SER A 28 9.866 19.086 1.406 1.00 0.00 H new ATOM 0 HB3 SER A 28 9.371 17.583 2.159 1.00 0.00 H new ATOM 0 HG SER A 28 8.600 17.767 -0.023 1.00 0.00 H new ATOM 421 N GLY A 29 6.919 17.503 3.642 1.00 0.00 N ATOM 422 CA GLY A 29 5.671 16.828 3.956 1.00 0.00 C ATOM 423 C GLY A 29 5.434 15.649 3.007 1.00 0.00 C ATOM 424 O GLY A 29 5.064 15.845 1.851 1.00 0.00 O ATOM 0 H GLY A 29 7.759 16.954 3.826 1.00 0.00 H new ATOM 0 HA2 GLY A 29 5.694 16.472 4.986 1.00 0.00 H new ATOM 0 HA3 GLY A 29 4.843 17.533 3.881 1.00 0.00 H new ATOM 428 N ASN A 30 5.656 14.454 3.533 1.00 0.00 N ATOM 429 CA ASN A 30 5.470 13.245 2.749 1.00 0.00 C ATOM 430 C ASN A 30 4.409 12.368 3.415 1.00 0.00 C ATOM 431 O ASN A 30 4.076 12.568 4.582 1.00 0.00 O ATOM 432 CB ASN A 30 6.768 12.438 2.666 1.00 0.00 C ATOM 433 CG ASN A 30 7.064 12.023 1.224 1.00 0.00 C ATOM 434 OD1 ASN A 30 6.541 12.577 0.272 1.00 0.00 O ATOM 435 ND2 ASN A 30 7.931 11.020 1.117 1.00 0.00 N ATOM 0 H ASN A 30 5.963 14.297 4.493 1.00 0.00 H new ATOM 0 HA ASN A 30 5.162 13.538 1.745 1.00 0.00 H new ATOM 0 HB2 ASN A 30 7.595 13.032 3.054 1.00 0.00 H new ATOM 0 HB3 ASN A 30 6.690 11.551 3.295 1.00 0.00 H new ATOM 0 HD21 ASN A 30 8.195 10.670 0.196 1.00 0.00 H new ATOM 0 HD22 ASN A 30 8.332 10.601 1.956 1.00 0.00 H new ATOM 442 N GLY A 31 3.908 11.414 2.645 1.00 0.00 N ATOM 443 CA GLY A 31 2.890 10.505 3.146 1.00 0.00 C ATOM 444 C GLY A 31 3.513 9.186 3.610 1.00 0.00 C ATOM 445 O GLY A 31 3.279 8.139 3.009 1.00 0.00 O ATOM 0 H GLY A 31 4.188 11.250 1.678 1.00 0.00 H new ATOM 0 HA2 GLY A 31 2.357 10.971 3.975 1.00 0.00 H new ATOM 0 HA3 GLY A 31 2.156 10.309 2.365 1.00 0.00 H new ATOM 449 N LEU A 32 4.296 9.281 4.675 1.00 0.00 N ATOM 450 CA LEU A 32 4.955 8.109 5.227 1.00 0.00 C ATOM 451 C LEU A 32 5.992 7.595 4.227 1.00 0.00 C ATOM 452 O LEU A 32 5.836 7.771 3.019 1.00 0.00 O ATOM 453 CB LEU A 32 3.922 7.057 5.636 1.00 0.00 C ATOM 454 CG LEU A 32 2.792 7.545 6.546 1.00 0.00 C ATOM 455 CD1 LEU A 32 1.611 6.573 6.523 1.00 0.00 C ATOM 456 CD2 LEU A 32 3.300 7.798 7.967 1.00 0.00 C ATOM 0 H LEU A 32 4.489 10.152 5.170 1.00 0.00 H new ATOM 0 HA LEU A 32 5.492 8.368 6.140 1.00 0.00 H new ATOM 0 HB2 LEU A 32 3.479 6.640 4.731 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.442 6.243 6.140 1.00 0.00 H new ATOM 0 HG LEU A 32 2.432 8.499 6.160 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.822 6.943 7.178 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.229 6.489 5.506 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.940 5.593 6.869 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.476 8.144 8.592 1.00 0.00 H new ATOM 0 HD22 LEU A 32 3.704 6.873 8.379 1.00 0.00 H new ATOM 0 HD23 LEU A 32 4.082 8.557 7.944 1.00 0.00 H new ATOM 468 N GLY A 33 7.028 6.969 4.766 1.00 0.00 N ATOM 469 CA GLY A 33 8.091 6.428 3.936 1.00 0.00 C ATOM 470 C GLY A 33 7.676 5.093 3.314 1.00 0.00 C ATOM 471 O GLY A 33 8.360 4.085 3.485 1.00 0.00 O ATOM 0 H GLY A 33 7.154 6.824 5.768 1.00 0.00 H new ATOM 0 HA2 GLY A 33 8.339 7.139 3.148 1.00 0.00 H new ATOM 0 HA3 GLY A 33 8.991 6.290 4.536 1.00 0.00 H new ATOM 475 N ILE A 34 6.556 5.130 2.607 1.00 0.00 N ATOM 476 CA ILE A 34 6.041 3.936 1.959 1.00 0.00 C ATOM 477 C ILE A 34 5.749 4.244 0.489 1.00 0.00 C ATOM 478 O ILE A 34 5.047 5.206 0.180 1.00 0.00 O ATOM 479 CB ILE A 34 4.835 3.389 2.724 1.00 0.00 C ATOM 480 CG1 ILE A 34 4.409 2.026 2.174 1.00 0.00 C ATOM 481 CG2 ILE A 34 3.682 4.394 2.720 1.00 0.00 C ATOM 482 CD1 ILE A 34 3.975 1.090 3.303 1.00 0.00 C ATOM 0 H ILE A 34 5.991 5.968 2.469 1.00 0.00 H new ATOM 0 HA ILE A 34 6.787 3.142 1.976 1.00 0.00 H new ATOM 0 HB ILE A 34 5.129 3.240 3.763 1.00 0.00 H new ATOM 0 HG12 ILE A 34 3.588 2.155 1.468 1.00 0.00 H new ATOM 0 HG13 ILE A 34 5.236 1.578 1.623 1.00 0.00 H new ATOM 0 HG21 ILE A 34 2.837 3.980 3.271 1.00 0.00 H new ATOM 0 HG22 ILE A 34 4.005 5.321 3.194 1.00 0.00 H new ATOM 0 HG23 ILE A 34 3.381 4.598 1.693 1.00 0.00 H new ATOM 0 HD11 ILE A 34 3.677 0.129 2.884 1.00 0.00 H new ATOM 0 HD12 ILE A 34 4.805 0.944 3.994 1.00 0.00 H new ATOM 0 HD13 ILE A 34 3.132 1.530 3.837 1.00 0.00 H new ATOM 494 N ARG A 35 6.302 3.409 -0.379 1.00 0.00 N ATOM 495 CA ARG A 35 6.110 3.581 -1.809 1.00 0.00 C ATOM 496 C ARG A 35 5.536 2.304 -2.424 1.00 0.00 C ATOM 497 O ARG A 35 6.059 1.213 -2.200 1.00 0.00 O ATOM 498 CB ARG A 35 7.428 3.927 -2.505 1.00 0.00 C ATOM 499 CG ARG A 35 7.680 5.436 -2.485 1.00 0.00 C ATOM 500 CD ARG A 35 6.879 6.140 -3.583 1.00 0.00 C ATOM 501 NE ARG A 35 7.614 7.333 -4.058 1.00 0.00 N ATOM 502 CZ ARG A 35 7.356 7.965 -5.212 1.00 0.00 C ATOM 503 NH1 ARG A 35 6.379 7.520 -6.015 1.00 0.00 N ATOM 504 NH2 ARG A 35 8.074 9.040 -5.563 1.00 0.00 N ATOM 0 H ARG A 35 6.883 2.612 -0.119 1.00 0.00 H new ATOM 0 HA ARG A 35 5.410 4.404 -1.953 1.00 0.00 H new ATOM 0 HB2 ARG A 35 8.251 3.411 -2.010 1.00 0.00 H new ATOM 0 HB3 ARG A 35 7.403 3.573 -3.535 1.00 0.00 H new ATOM 0 HG2 ARG A 35 7.404 5.842 -1.512 1.00 0.00 H new ATOM 0 HG3 ARG A 35 8.743 5.633 -2.622 1.00 0.00 H new ATOM 0 HD2 ARG A 35 6.704 5.456 -4.413 1.00 0.00 H new ATOM 0 HD3 ARG A 35 5.901 6.433 -3.201 1.00 0.00 H new ATOM 0 HE ARG A 35 8.364 7.698 -3.471 1.00 0.00 H new ATOM 0 HH11 ARG A 35 5.833 6.701 -5.748 1.00 0.00 H new ATOM 0 HH12 ARG A 35 6.182 8.000 -6.893 1.00 0.00 H new ATOM 0 HH21 ARG A 35 8.818 9.378 -4.952 1.00 0.00 H new ATOM 0 HH22 ARG A 35 7.877 9.520 -6.441 1.00 0.00 H new ATOM 518 N ILE A 36 4.468 2.480 -3.189 1.00 0.00 N ATOM 519 CA ILE A 36 3.818 1.355 -3.838 1.00 0.00 C ATOM 520 C ILE A 36 3.461 1.738 -5.276 1.00 0.00 C ATOM 521 O ILE A 36 2.910 2.810 -5.518 1.00 0.00 O ATOM 522 CB ILE A 36 2.619 0.880 -3.013 1.00 0.00 C ATOM 523 CG1 ILE A 36 3.078 0.207 -1.718 1.00 0.00 C ATOM 524 CG2 ILE A 36 1.711 -0.031 -3.841 1.00 0.00 C ATOM 525 CD1 ILE A 36 2.156 0.572 -0.554 1.00 0.00 C ATOM 0 H ILE A 36 4.037 3.386 -3.374 1.00 0.00 H new ATOM 0 HA ILE A 36 4.496 0.503 -3.893 1.00 0.00 H new ATOM 0 HB ILE A 36 2.030 1.753 -2.732 1.00 0.00 H new ATOM 0 HG12 ILE A 36 3.091 -0.875 -1.851 1.00 0.00 H new ATOM 0 HG13 ILE A 36 4.099 0.512 -1.487 1.00 0.00 H new ATOM 0 HG21 ILE A 36 0.867 -0.355 -3.232 1.00 0.00 H new ATOM 0 HG22 ILE A 36 1.343 0.515 -4.710 1.00 0.00 H new ATOM 0 HG23 ILE A 36 2.275 -0.903 -4.172 1.00 0.00 H new ATOM 0 HD11 ILE A 36 2.505 0.081 0.354 1.00 0.00 H new ATOM 0 HD12 ILE A 36 2.164 1.652 -0.408 1.00 0.00 H new ATOM 0 HD13 ILE A 36 1.141 0.244 -0.777 1.00 0.00 H new ATOM 537 N VAL A 37 3.789 0.839 -6.192 1.00 0.00 N ATOM 538 CA VAL A 37 3.511 1.069 -7.600 1.00 0.00 C ATOM 539 C VAL A 37 2.361 0.162 -8.042 1.00 0.00 C ATOM 540 O VAL A 37 2.384 -1.042 -7.793 1.00 0.00 O ATOM 541 CB VAL A 37 4.783 0.867 -8.426 1.00 0.00 C ATOM 542 CG1 VAL A 37 4.448 0.623 -9.898 1.00 0.00 C ATOM 543 CG2 VAL A 37 5.732 2.056 -8.269 1.00 0.00 C ATOM 0 H VAL A 37 4.245 -0.050 -5.987 1.00 0.00 H new ATOM 0 HA VAL A 37 3.195 2.099 -7.763 1.00 0.00 H new ATOM 0 HB VAL A 37 5.291 -0.020 -8.048 1.00 0.00 H new ATOM 0 HG11 VAL A 37 5.370 0.483 -10.463 1.00 0.00 H new ATOM 0 HG12 VAL A 37 3.828 -0.269 -9.987 1.00 0.00 H new ATOM 0 HG13 VAL A 37 3.907 1.482 -10.295 1.00 0.00 H new ATOM 0 HG21 VAL A 37 6.628 1.888 -8.866 1.00 0.00 H new ATOM 0 HG22 VAL A 37 5.236 2.965 -8.608 1.00 0.00 H new ATOM 0 HG23 VAL A 37 6.010 2.164 -7.220 1.00 0.00 H new ATOM 553 N GLY A 38 1.381 0.776 -8.690 1.00 0.00 N ATOM 554 CA GLY A 38 0.224 0.039 -9.170 1.00 0.00 C ATOM 555 C GLY A 38 0.356 -0.279 -10.661 1.00 0.00 C ATOM 556 O GLY A 38 1.347 0.085 -11.291 1.00 0.00 O ATOM 0 H GLY A 38 1.365 1.775 -8.894 1.00 0.00 H new ATOM 0 HA2 GLY A 38 0.118 -0.887 -8.605 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -0.680 0.622 -8.998 1.00 0.00 H new ATOM 560 N GLY A 39 -0.658 -0.954 -11.181 1.00 0.00 N ATOM 561 CA GLY A 39 -0.669 -1.325 -12.586 1.00 0.00 C ATOM 562 C GLY A 39 0.512 -2.240 -12.920 1.00 0.00 C ATOM 563 O GLY A 39 1.171 -2.060 -13.943 1.00 0.00 O ATOM 0 H GLY A 39 -1.478 -1.254 -10.654 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -1.605 -1.831 -12.825 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -0.625 -0.428 -13.203 1.00 0.00 H new ATOM 567 N LYS A 40 0.741 -3.201 -12.039 1.00 0.00 N ATOM 568 CA LYS A 40 1.831 -4.145 -12.227 1.00 0.00 C ATOM 569 C LYS A 40 1.287 -5.571 -12.131 1.00 0.00 C ATOM 570 O LYS A 40 0.612 -5.919 -11.163 1.00 0.00 O ATOM 571 CB LYS A 40 2.968 -3.854 -11.246 1.00 0.00 C ATOM 572 CG LYS A 40 4.326 -3.922 -11.946 1.00 0.00 C ATOM 573 CD LYS A 40 5.272 -4.879 -11.216 1.00 0.00 C ATOM 574 CE LYS A 40 6.732 -4.573 -11.555 1.00 0.00 C ATOM 575 NZ LYS A 40 7.135 -5.277 -12.794 1.00 0.00 N ATOM 0 H LYS A 40 0.191 -3.347 -11.193 1.00 0.00 H new ATOM 0 HA LYS A 40 2.263 -4.034 -13.222 1.00 0.00 H new ATOM 0 HB2 LYS A 40 2.830 -2.866 -10.807 1.00 0.00 H new ATOM 0 HB3 LYS A 40 2.940 -4.573 -10.428 1.00 0.00 H new ATOM 0 HG2 LYS A 40 4.192 -4.253 -12.976 1.00 0.00 H new ATOM 0 HG3 LYS A 40 4.769 -2.927 -11.986 1.00 0.00 H new ATOM 0 HD2 LYS A 40 5.120 -4.796 -10.140 1.00 0.00 H new ATOM 0 HD3 LYS A 40 5.039 -5.907 -11.492 1.00 0.00 H new ATOM 0 HE2 LYS A 40 6.865 -3.498 -11.681 1.00 0.00 H new ATOM 0 HE3 LYS A 40 7.375 -4.879 -10.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 8.129 -5.059 -13.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 7.027 -6.303 -12.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 6.533 -4.965 -13.582 1.00 0.00 H new ATOM 589 N GLU A 41 1.599 -6.360 -13.150 1.00 0.00 N ATOM 590 CA GLU A 41 1.150 -7.740 -13.192 1.00 0.00 C ATOM 591 C GLU A 41 1.632 -8.494 -11.951 1.00 0.00 C ATOM 592 O GLU A 41 2.750 -8.280 -11.486 1.00 0.00 O ATOM 593 CB GLU A 41 1.624 -8.432 -14.472 1.00 0.00 C ATOM 594 CG GLU A 41 0.578 -9.430 -14.975 1.00 0.00 C ATOM 595 CD GLU A 41 0.600 -9.522 -16.503 1.00 0.00 C ATOM 596 OE1 GLU A 41 1.719 -9.472 -17.058 1.00 0.00 O ATOM 597 OE2 GLU A 41 -0.502 -9.642 -17.080 1.00 0.00 O ATOM 0 H GLU A 41 2.157 -6.069 -13.952 1.00 0.00 H new ATOM 0 HA GLU A 41 0.060 -7.746 -13.196 1.00 0.00 H new ATOM 0 HB2 GLU A 41 1.820 -7.686 -15.242 1.00 0.00 H new ATOM 0 HB3 GLU A 41 2.565 -8.950 -14.283 1.00 0.00 H new ATOM 0 HG2 GLU A 41 0.771 -10.413 -14.545 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -0.413 -9.124 -14.639 1.00 0.00 H new ATOM 604 N ILE A 42 0.765 -9.362 -11.451 1.00 0.00 N ATOM 605 CA ILE A 42 1.087 -10.149 -10.273 1.00 0.00 C ATOM 606 C ILE A 42 1.636 -11.509 -10.708 1.00 0.00 C ATOM 607 O ILE A 42 1.115 -12.124 -11.637 1.00 0.00 O ATOM 608 CB ILE A 42 -0.124 -10.243 -9.342 1.00 0.00 C ATOM 609 CG1 ILE A 42 -0.719 -8.859 -9.077 1.00 0.00 C ATOM 610 CG2 ILE A 42 0.237 -10.969 -8.045 1.00 0.00 C ATOM 611 CD1 ILE A 42 -2.163 -8.969 -8.582 1.00 0.00 C ATOM 0 H ILE A 42 -0.161 -9.538 -11.841 1.00 0.00 H new ATOM 0 HA ILE A 42 1.869 -9.661 -9.691 1.00 0.00 H new ATOM 0 HB ILE A 42 -0.893 -10.835 -9.839 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -0.115 -8.336 -8.336 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -0.688 -8.265 -9.990 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -0.641 -11.022 -7.401 1.00 0.00 H new ATOM 0 HG22 ILE A 42 0.579 -11.978 -8.276 1.00 0.00 H new ATOM 0 HG23 ILE A 42 1.030 -10.425 -7.532 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -2.563 -7.971 -8.401 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -2.769 -9.471 -9.336 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -2.187 -9.543 -7.656 1.00 0.00 H new ATOM 623 N PRO A 43 2.708 -11.952 -9.997 1.00 0.00 N ATOM 624 CA PRO A 43 3.331 -13.228 -10.300 1.00 0.00 C ATOM 625 C PRO A 43 2.475 -14.391 -9.797 1.00 0.00 C ATOM 626 O PRO A 43 2.489 -14.708 -8.608 1.00 0.00 O ATOM 627 CB PRO A 43 4.698 -13.165 -9.636 1.00 0.00 C ATOM 628 CG PRO A 43 4.608 -12.056 -8.602 1.00 0.00 C ATOM 629 CD PRO A 43 3.351 -11.250 -8.890 1.00 0.00 C ATOM 0 HA PRO A 43 3.430 -13.404 -11.371 1.00 0.00 H new ATOM 0 HB2 PRO A 43 4.949 -14.117 -9.167 1.00 0.00 H new ATOM 0 HB3 PRO A 43 5.478 -12.955 -10.368 1.00 0.00 H new ATOM 0 HG2 PRO A 43 4.571 -12.474 -7.596 1.00 0.00 H new ATOM 0 HG3 PRO A 43 5.490 -11.417 -8.650 1.00 0.00 H new ATOM 0 HD2 PRO A 43 2.700 -11.206 -8.017 1.00 0.00 H new ATOM 0 HD3 PRO A 43 3.593 -10.222 -9.160 1.00 0.00 H new ATOM 637 N GLY A 44 1.748 -14.995 -10.727 1.00 0.00 N ATOM 638 CA GLY A 44 0.887 -16.116 -10.392 1.00 0.00 C ATOM 639 C GLY A 44 -0.548 -15.864 -10.861 1.00 0.00 C ATOM 640 O GLY A 44 -1.109 -16.662 -11.610 1.00 0.00 O ATOM 0 H GLY A 44 1.738 -14.729 -11.712 1.00 0.00 H new ATOM 0 HA2 GLY A 44 1.271 -17.025 -10.855 1.00 0.00 H new ATOM 0 HA3 GLY A 44 0.898 -16.278 -9.314 1.00 0.00 H new ATOM 644 N HIS A 45 -1.100 -14.751 -10.401 1.00 0.00 N ATOM 645 CA HIS A 45 -2.458 -14.383 -10.765 1.00 0.00 C ATOM 646 C HIS A 45 -2.653 -14.566 -12.271 1.00 0.00 C ATOM 647 O HIS A 45 -1.703 -14.447 -13.043 1.00 0.00 O ATOM 648 CB HIS A 45 -2.782 -12.965 -10.292 1.00 0.00 C ATOM 649 CG HIS A 45 -3.972 -12.883 -9.366 1.00 0.00 C ATOM 650 ND1 HIS A 45 -5.271 -12.750 -9.825 1.00 0.00 N ATOM 651 CD2 HIS A 45 -4.046 -12.916 -8.005 1.00 0.00 C ATOM 652 CE1 HIS A 45 -6.082 -12.707 -8.779 1.00 0.00 C ATOM 653 NE2 HIS A 45 -5.321 -12.809 -7.651 1.00 0.00 N ATOM 0 H HIS A 45 -0.632 -14.092 -9.779 1.00 0.00 H new ATOM 0 HA HIS A 45 -3.165 -15.041 -10.260 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -1.910 -12.555 -9.783 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -2.968 -12.336 -11.163 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -3.209 -13.013 -7.329 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -7.157 -12.608 -8.813 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -5.674 -12.804 -6.694 1.00 0.00 H new ATOM 661 N SER A 46 -3.892 -14.850 -12.645 1.00 0.00 N ATOM 662 CA SER A 46 -4.225 -15.050 -14.044 1.00 0.00 C ATOM 663 C SER A 46 -4.183 -13.713 -14.788 1.00 0.00 C ATOM 664 O SER A 46 -5.202 -13.033 -14.907 1.00 0.00 O ATOM 665 CB SER A 46 -5.601 -15.699 -14.197 1.00 0.00 C ATOM 666 OG SER A 46 -5.512 -17.025 -14.711 1.00 0.00 O ATOM 0 H SER A 46 -4.678 -14.946 -12.002 1.00 0.00 H new ATOM 0 HA SER A 46 -3.486 -15.724 -14.478 1.00 0.00 H new ATOM 0 HB2 SER A 46 -6.102 -15.718 -13.229 1.00 0.00 H new ATOM 0 HB3 SER A 46 -6.216 -15.093 -14.862 1.00 0.00 H new ATOM 0 HG SER A 46 -6.411 -17.405 -14.792 1.00 0.00 H new ATOM 672 N GLY A 47 -2.996 -13.376 -15.269 1.00 0.00 N ATOM 673 CA GLY A 47 -2.808 -12.133 -15.997 1.00 0.00 C ATOM 674 C GLY A 47 -3.600 -10.994 -15.351 1.00 0.00 C ATOM 675 O GLY A 47 -4.506 -10.435 -15.966 1.00 0.00 O ATOM 0 H GLY A 47 -2.154 -13.943 -15.169 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -1.749 -11.877 -16.019 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -3.127 -12.261 -17.031 1.00 0.00 H new ATOM 679 N GLU A 48 -3.229 -10.684 -14.117 1.00 0.00 N ATOM 680 CA GLU A 48 -3.892 -9.621 -13.380 1.00 0.00 C ATOM 681 C GLU A 48 -2.866 -8.606 -12.874 1.00 0.00 C ATOM 682 O GLU A 48 -1.718 -8.958 -12.611 1.00 0.00 O ATOM 683 CB GLU A 48 -4.720 -10.189 -12.225 1.00 0.00 C ATOM 684 CG GLU A 48 -5.770 -9.182 -11.756 1.00 0.00 C ATOM 685 CD GLU A 48 -6.876 -9.015 -12.800 1.00 0.00 C ATOM 686 OE1 GLU A 48 -7.360 -10.061 -13.285 1.00 0.00 O ATOM 687 OE2 GLU A 48 -7.212 -7.847 -13.090 1.00 0.00 O ATOM 0 H GLU A 48 -2.478 -11.150 -13.609 1.00 0.00 H new ATOM 0 HA GLU A 48 -4.577 -9.108 -14.056 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -5.210 -11.109 -12.543 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -4.063 -10.448 -11.395 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -6.203 -9.516 -10.813 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -5.296 -8.219 -11.566 1.00 0.00 H new ATOM 694 N ILE A 49 -3.320 -7.367 -12.750 1.00 0.00 N ATOM 695 CA ILE A 49 -2.455 -6.298 -12.279 1.00 0.00 C ATOM 696 C ILE A 49 -2.753 -6.019 -10.805 1.00 0.00 C ATOM 697 O ILE A 49 -3.806 -6.404 -10.297 1.00 0.00 O ATOM 698 CB ILE A 49 -2.588 -5.067 -13.177 1.00 0.00 C ATOM 699 CG1 ILE A 49 -4.057 -4.764 -13.478 1.00 0.00 C ATOM 700 CG2 ILE A 49 -1.762 -5.227 -14.455 1.00 0.00 C ATOM 701 CD1 ILE A 49 -4.239 -3.309 -13.916 1.00 0.00 C ATOM 0 H ILE A 49 -4.274 -7.080 -12.967 1.00 0.00 H new ATOM 0 HA ILE A 49 -1.409 -6.598 -12.342 1.00 0.00 H new ATOM 0 HB ILE A 49 -2.185 -4.208 -12.640 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -4.416 -5.431 -14.262 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -4.661 -4.959 -12.592 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -1.875 -4.338 -15.075 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -0.711 -5.357 -14.195 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -2.110 -6.100 -15.006 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -5.292 -3.121 -14.124 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -3.901 -2.645 -13.121 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -3.653 -3.124 -14.816 1.00 0.00 H new ATOM 713 N GLY A 50 -1.808 -5.352 -10.158 1.00 0.00 N ATOM 714 CA GLY A 50 -1.957 -5.017 -8.752 1.00 0.00 C ATOM 715 C GLY A 50 -0.976 -3.917 -8.344 1.00 0.00 C ATOM 716 O GLY A 50 -0.429 -3.220 -9.197 1.00 0.00 O ATOM 0 H GLY A 50 -0.936 -5.035 -10.582 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -2.978 -4.688 -8.559 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -1.787 -5.905 -8.143 1.00 0.00 H new ATOM 720 N ALA A 51 -0.784 -3.794 -7.039 1.00 0.00 N ATOM 721 CA ALA A 51 0.122 -2.790 -6.507 1.00 0.00 C ATOM 722 C ALA A 51 1.132 -3.462 -5.574 1.00 0.00 C ATOM 723 O ALA A 51 0.769 -4.334 -4.787 1.00 0.00 O ATOM 724 CB ALA A 51 -0.684 -1.696 -5.804 1.00 0.00 C ATOM 0 H ALA A 51 -1.240 -4.373 -6.334 1.00 0.00 H new ATOM 0 HA ALA A 51 0.683 -2.315 -7.312 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -0.004 -0.943 -5.405 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -1.364 -1.230 -6.517 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -1.259 -2.135 -4.988 1.00 0.00 H new ATOM 730 N TYR A 52 2.378 -3.031 -5.695 1.00 0.00 N ATOM 731 CA TYR A 52 3.442 -3.580 -4.872 1.00 0.00 C ATOM 732 C TYR A 52 4.338 -2.469 -4.321 1.00 0.00 C ATOM 733 O TYR A 52 4.478 -1.414 -4.939 1.00 0.00 O ATOM 734 CB TYR A 52 4.270 -4.475 -5.796 1.00 0.00 C ATOM 735 CG TYR A 52 5.115 -3.707 -6.815 1.00 0.00 C ATOM 736 CD1 TYR A 52 4.568 -3.339 -8.026 1.00 0.00 C ATOM 737 CD2 TYR A 52 6.424 -3.381 -6.521 1.00 0.00 C ATOM 738 CE1 TYR A 52 5.362 -2.615 -8.985 1.00 0.00 C ATOM 739 CE2 TYR A 52 7.218 -2.659 -7.479 1.00 0.00 C ATOM 740 CZ TYR A 52 6.648 -2.311 -8.664 1.00 0.00 C ATOM 741 OH TYR A 52 7.399 -1.628 -9.569 1.00 0.00 O ATOM 0 H TYR A 52 2.675 -2.308 -6.350 1.00 0.00 H new ATOM 0 HA TYR A 52 3.029 -4.124 -4.023 1.00 0.00 H new ATOM 0 HB2 TYR A 52 4.928 -5.096 -5.189 1.00 0.00 H new ATOM 0 HB3 TYR A 52 3.599 -5.148 -6.330 1.00 0.00 H new ATOM 0 HD1 TYR A 52 3.544 -3.594 -8.255 1.00 0.00 H new ATOM 0 HD2 TYR A 52 6.852 -3.668 -5.572 1.00 0.00 H new ATOM 0 HE1 TYR A 52 4.946 -2.320 -9.937 1.00 0.00 H new ATOM 0 HE2 TYR A 52 8.244 -2.399 -7.262 1.00 0.00 H new ATOM 0 HH TYR A 52 8.296 -1.480 -9.204 1.00 0.00 H new ATOM 751 N ILE A 53 4.923 -2.743 -3.163 1.00 0.00 N ATOM 752 CA ILE A 53 5.801 -1.780 -2.522 1.00 0.00 C ATOM 753 C ILE A 53 7.090 -1.650 -3.336 1.00 0.00 C ATOM 754 O ILE A 53 7.980 -2.495 -3.236 1.00 0.00 O ATOM 755 CB ILE A 53 6.034 -2.159 -1.058 1.00 0.00 C ATOM 756 CG1 ILE A 53 4.714 -2.202 -0.286 1.00 0.00 C ATOM 757 CG2 ILE A 53 7.051 -1.221 -0.404 1.00 0.00 C ATOM 758 CD1 ILE A 53 4.812 -3.145 0.915 1.00 0.00 C ATOM 0 H ILE A 53 4.805 -3.618 -2.653 1.00 0.00 H new ATOM 0 HA ILE A 53 5.335 -0.795 -2.502 1.00 0.00 H new ATOM 0 HB ILE A 53 6.457 -3.163 -1.028 1.00 0.00 H new ATOM 0 HG12 ILE A 53 4.455 -1.199 0.054 1.00 0.00 H new ATOM 0 HG13 ILE A 53 3.912 -2.531 -0.947 1.00 0.00 H new ATOM 0 HG21 ILE A 53 7.198 -1.512 0.636 1.00 0.00 H new ATOM 0 HG22 ILE A 53 8.000 -1.285 -0.937 1.00 0.00 H new ATOM 0 HG23 ILE A 53 6.680 -0.197 -0.445 1.00 0.00 H new ATOM 0 HD11 ILE A 53 3.860 -3.157 1.447 1.00 0.00 H new ATOM 0 HD12 ILE A 53 5.047 -4.151 0.569 1.00 0.00 H new ATOM 0 HD13 ILE A 53 5.598 -2.799 1.586 1.00 0.00 H new ATOM 770 N ALA A 54 7.150 -0.587 -4.124 1.00 0.00 N ATOM 771 CA ALA A 54 8.316 -0.336 -4.955 1.00 0.00 C ATOM 772 C ALA A 54 9.583 -0.520 -4.118 1.00 0.00 C ATOM 773 O ALA A 54 10.435 -1.344 -4.447 1.00 0.00 O ATOM 774 CB ALA A 54 8.217 1.065 -5.564 1.00 0.00 C ATOM 0 H ALA A 54 6.410 0.111 -4.205 1.00 0.00 H new ATOM 0 HA ALA A 54 8.360 -1.048 -5.780 1.00 0.00 H new ATOM 0 HB1 ALA A 54 9.091 1.253 -6.187 1.00 0.00 H new ATOM 0 HB2 ALA A 54 7.316 1.134 -6.173 1.00 0.00 H new ATOM 0 HB3 ALA A 54 8.174 1.806 -4.766 1.00 0.00 H new ATOM 780 N LYS A 55 9.668 0.260 -3.050 1.00 0.00 N ATOM 781 CA LYS A 55 10.816 0.194 -2.164 1.00 0.00 C ATOM 782 C LYS A 55 10.452 0.822 -0.817 1.00 0.00 C ATOM 783 O LYS A 55 9.358 1.360 -0.655 1.00 0.00 O ATOM 784 CB LYS A 55 12.042 0.827 -2.825 1.00 0.00 C ATOM 785 CG LYS A 55 12.183 2.297 -2.426 1.00 0.00 C ATOM 786 CD LYS A 55 10.848 3.032 -2.558 1.00 0.00 C ATOM 787 CE LYS A 55 11.051 4.446 -3.106 1.00 0.00 C ATOM 788 NZ LYS A 55 10.356 4.605 -4.402 1.00 0.00 N ATOM 0 H LYS A 55 8.959 0.941 -2.779 1.00 0.00 H new ATOM 0 HA LYS A 55 11.087 -0.844 -1.971 1.00 0.00 H new ATOM 0 HB2 LYS A 55 12.939 0.280 -2.535 1.00 0.00 H new ATOM 0 HB3 LYS A 55 11.957 0.747 -3.909 1.00 0.00 H new ATOM 0 HG2 LYS A 55 12.540 2.366 -1.398 1.00 0.00 H new ATOM 0 HG3 LYS A 55 12.931 2.778 -3.056 1.00 0.00 H new ATOM 0 HD2 LYS A 55 10.186 2.474 -3.219 1.00 0.00 H new ATOM 0 HD3 LYS A 55 10.359 3.082 -1.585 1.00 0.00 H new ATOM 0 HE2 LYS A 55 10.672 5.177 -2.392 1.00 0.00 H new ATOM 0 HE3 LYS A 55 12.115 4.644 -3.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 10.300 5.615 -4.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 10.883 4.100 -5.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 9.396 4.212 -4.331 1.00 0.00 H new ATOM 802 N ILE A 56 11.391 0.732 0.115 1.00 0.00 N ATOM 803 CA ILE A 56 11.182 1.285 1.442 1.00 0.00 C ATOM 804 C ILE A 56 12.370 2.176 1.811 1.00 0.00 C ATOM 805 O ILE A 56 13.519 1.825 1.549 1.00 0.00 O ATOM 806 CB ILE A 56 10.916 0.166 2.452 1.00 0.00 C ATOM 807 CG1 ILE A 56 9.652 -0.614 2.085 1.00 0.00 C ATOM 808 CG2 ILE A 56 10.855 0.718 3.878 1.00 0.00 C ATOM 809 CD1 ILE A 56 9.047 -1.288 3.318 1.00 0.00 C ATOM 0 H ILE A 56 12.297 0.285 -0.023 1.00 0.00 H new ATOM 0 HA ILE A 56 10.293 1.916 1.457 1.00 0.00 H new ATOM 0 HB ILE A 56 11.750 -0.535 2.413 1.00 0.00 H new ATOM 0 HG12 ILE A 56 8.921 0.060 1.639 1.00 0.00 H new ATOM 0 HG13 ILE A 56 9.890 -1.367 1.334 1.00 0.00 H new ATOM 0 HG21 ILE A 56 10.665 -0.097 4.576 1.00 0.00 H new ATOM 0 HG22 ILE A 56 11.804 1.193 4.125 1.00 0.00 H new ATOM 0 HG23 ILE A 56 10.052 1.452 3.950 1.00 0.00 H new ATOM 0 HD11 ILE A 56 8.150 -1.836 3.030 1.00 0.00 H new ATOM 0 HD12 ILE A 56 9.772 -1.979 3.747 1.00 0.00 H new ATOM 0 HD13 ILE A 56 8.788 -0.530 4.057 1.00 0.00 H new ATOM 821 N LEU A 57 12.052 3.312 2.414 1.00 0.00 N ATOM 822 CA LEU A 57 13.078 4.256 2.821 1.00 0.00 C ATOM 823 C LEU A 57 13.958 3.614 3.894 1.00 0.00 C ATOM 824 O LEU A 57 13.587 2.599 4.482 1.00 0.00 O ATOM 825 CB LEU A 57 12.446 5.580 3.256 1.00 0.00 C ATOM 826 CG LEU A 57 12.298 6.643 2.164 1.00 0.00 C ATOM 827 CD1 LEU A 57 11.017 6.424 1.357 1.00 0.00 C ATOM 828 CD2 LEU A 57 12.367 8.051 2.758 1.00 0.00 C ATOM 0 H LEU A 57 11.098 3.600 2.630 1.00 0.00 H new ATOM 0 HA LEU A 57 13.726 4.500 1.980 1.00 0.00 H new ATOM 0 HB2 LEU A 57 11.459 5.371 3.668 1.00 0.00 H new ATOM 0 HB3 LEU A 57 13.046 5.998 4.064 1.00 0.00 H new ATOM 0 HG LEU A 57 13.135 6.543 1.473 1.00 0.00 H new ATOM 0 HD11 LEU A 57 10.936 7.192 0.588 1.00 0.00 H new ATOM 0 HD12 LEU A 57 11.047 5.441 0.886 1.00 0.00 H new ATOM 0 HD13 LEU A 57 10.154 6.482 2.021 1.00 0.00 H new ATOM 0 HD21 LEU A 57 12.259 8.788 1.962 1.00 0.00 H new ATOM 0 HD22 LEU A 57 11.563 8.180 3.483 1.00 0.00 H new ATOM 0 HD23 LEU A 57 13.328 8.190 3.253 1.00 0.00 H new ATOM 840 N PRO A 58 15.139 4.249 4.125 1.00 0.00 N ATOM 841 CA PRO A 58 16.076 3.750 5.117 1.00 0.00 C ATOM 842 C PRO A 58 15.591 4.063 6.534 1.00 0.00 C ATOM 843 O PRO A 58 15.778 5.175 7.026 1.00 0.00 O ATOM 844 CB PRO A 58 17.399 4.418 4.780 1.00 0.00 C ATOM 845 CG PRO A 58 17.052 5.613 3.908 1.00 0.00 C ATOM 846 CD PRO A 58 15.612 5.453 3.448 1.00 0.00 C ATOM 0 HA PRO A 58 16.176 2.665 5.093 1.00 0.00 H new ATOM 0 HB2 PRO A 58 17.919 4.733 5.685 1.00 0.00 H new ATOM 0 HB3 PRO A 58 18.061 3.730 4.254 1.00 0.00 H new ATOM 0 HG2 PRO A 58 17.173 6.541 4.467 1.00 0.00 H new ATOM 0 HG3 PRO A 58 17.723 5.667 3.051 1.00 0.00 H new ATOM 0 HD2 PRO A 58 15.011 6.321 3.718 1.00 0.00 H new ATOM 0 HD3 PRO A 58 15.552 5.348 2.365 1.00 0.00 H new ATOM 854 N GLY A 59 14.979 3.063 7.151 1.00 0.00 N ATOM 855 CA GLY A 59 14.467 3.219 8.501 1.00 0.00 C ATOM 856 C GLY A 59 13.354 4.268 8.549 1.00 0.00 C ATOM 857 O GLY A 59 13.462 5.259 9.269 1.00 0.00 O ATOM 0 H GLY A 59 14.826 2.142 6.741 1.00 0.00 H new ATOM 0 HA2 GLY A 59 14.086 2.263 8.862 1.00 0.00 H new ATOM 0 HA3 GLY A 59 15.277 3.512 9.169 1.00 0.00 H new ATOM 861 N GLY A 60 12.311 4.014 7.772 1.00 0.00 N ATOM 862 CA GLY A 60 11.180 4.924 7.717 1.00 0.00 C ATOM 863 C GLY A 60 10.039 4.437 8.613 1.00 0.00 C ATOM 864 O GLY A 60 10.258 3.642 9.525 1.00 0.00 O ATOM 0 H GLY A 60 12.226 3.191 7.176 1.00 0.00 H new ATOM 0 HA2 GLY A 60 11.494 5.919 8.031 1.00 0.00 H new ATOM 0 HA3 GLY A 60 10.828 5.010 6.689 1.00 0.00 H new ATOM 868 N SER A 61 8.847 4.934 8.320 1.00 0.00 N ATOM 869 CA SER A 61 7.671 4.559 9.087 1.00 0.00 C ATOM 870 C SER A 61 7.238 3.139 8.721 1.00 0.00 C ATOM 871 O SER A 61 6.836 2.365 9.588 1.00 0.00 O ATOM 872 CB SER A 61 6.523 5.542 8.852 1.00 0.00 C ATOM 873 OG SER A 61 6.935 6.896 9.020 1.00 0.00 O ATOM 0 H SER A 61 8.670 5.593 7.562 1.00 0.00 H new ATOM 0 HA SER A 61 7.929 4.591 10.146 1.00 0.00 H new ATOM 0 HB2 SER A 61 6.130 5.405 7.845 1.00 0.00 H new ATOM 0 HB3 SER A 61 5.710 5.322 9.544 1.00 0.00 H new ATOM 0 HG SER A 61 6.174 7.492 8.860 1.00 0.00 H new ATOM 879 N ALA A 62 7.335 2.838 7.434 1.00 0.00 N ATOM 880 CA ALA A 62 6.957 1.525 6.942 1.00 0.00 C ATOM 881 C ALA A 62 7.935 0.481 7.484 1.00 0.00 C ATOM 882 O ALA A 62 7.521 -0.553 8.005 1.00 0.00 O ATOM 883 CB ALA A 62 6.915 1.544 5.412 1.00 0.00 C ATOM 0 H ALA A 62 7.670 3.482 6.717 1.00 0.00 H new ATOM 0 HA ALA A 62 5.960 1.257 7.292 1.00 0.00 H new ATOM 0 HB1 ALA A 62 6.631 0.558 5.044 1.00 0.00 H new ATOM 0 HB2 ALA A 62 6.185 2.281 5.077 1.00 0.00 H new ATOM 0 HB3 ALA A 62 7.899 1.807 5.024 1.00 0.00 H new ATOM 889 N GLU A 63 9.217 0.788 7.344 1.00 0.00 N ATOM 890 CA GLU A 63 10.258 -0.110 7.813 1.00 0.00 C ATOM 891 C GLU A 63 10.224 -0.209 9.340 1.00 0.00 C ATOM 892 O GLU A 63 10.580 -1.242 9.906 1.00 0.00 O ATOM 893 CB GLU A 63 11.635 0.343 7.324 1.00 0.00 C ATOM 894 CG GLU A 63 12.618 -0.828 7.294 1.00 0.00 C ATOM 895 CD GLU A 63 13.689 -0.618 6.221 1.00 0.00 C ATOM 896 OE1 GLU A 63 13.394 -0.952 5.052 1.00 0.00 O ATOM 897 OE2 GLU A 63 14.777 -0.129 6.592 1.00 0.00 O ATOM 0 H GLU A 63 9.558 1.647 6.912 1.00 0.00 H new ATOM 0 HA GLU A 63 10.070 -1.101 7.399 1.00 0.00 H new ATOM 0 HB2 GLU A 63 11.547 0.774 6.327 1.00 0.00 H new ATOM 0 HB3 GLU A 63 12.017 1.127 7.978 1.00 0.00 H new ATOM 0 HG2 GLU A 63 13.092 -0.935 8.270 1.00 0.00 H new ATOM 0 HG3 GLU A 63 12.079 -1.755 7.098 1.00 0.00 H new ATOM 904 N GLN A 64 9.792 0.877 9.962 1.00 0.00 N ATOM 905 CA GLN A 64 9.708 0.926 11.412 1.00 0.00 C ATOM 906 C GLN A 64 9.000 -0.322 11.944 1.00 0.00 C ATOM 907 O GLN A 64 9.452 -0.931 12.912 1.00 0.00 O ATOM 908 CB GLN A 64 8.998 2.199 11.878 1.00 0.00 C ATOM 909 CG GLN A 64 9.995 3.196 12.471 1.00 0.00 C ATOM 910 CD GLN A 64 9.489 3.750 13.805 1.00 0.00 C ATOM 911 OE1 GLN A 64 9.178 4.922 13.941 1.00 0.00 O ATOM 912 NE2 GLN A 64 9.422 2.845 14.776 1.00 0.00 N ATOM 0 H GLN A 64 9.496 1.731 9.489 1.00 0.00 H new ATOM 0 HA GLN A 64 10.721 0.946 11.815 1.00 0.00 H new ATOM 0 HB2 GLN A 64 8.476 2.657 11.038 1.00 0.00 H new ATOM 0 HB3 GLN A 64 8.243 1.947 12.623 1.00 0.00 H new ATOM 0 HG2 GLN A 64 10.959 2.708 12.618 1.00 0.00 H new ATOM 0 HG3 GLN A 64 10.156 4.015 11.770 1.00 0.00 H new ATOM 0 HE21 GLN A 64 9.698 1.880 14.594 1.00 0.00 H new ATOM 0 HE22 GLN A 64 9.094 3.115 15.703 1.00 0.00 H new ATOM 921 N THR A 65 7.902 -0.666 11.287 1.00 0.00 N ATOM 922 CA THR A 65 7.128 -1.830 11.682 1.00 0.00 C ATOM 923 C THR A 65 8.000 -3.086 11.652 1.00 0.00 C ATOM 924 O THR A 65 8.023 -3.853 12.614 1.00 0.00 O ATOM 925 CB THR A 65 5.905 -1.918 10.766 1.00 0.00 C ATOM 926 OG1 THR A 65 6.456 -2.141 9.471 1.00 0.00 O ATOM 927 CG2 THR A 65 5.175 -0.579 10.634 1.00 0.00 C ATOM 0 H THR A 65 7.530 -0.159 10.484 1.00 0.00 H new ATOM 0 HA THR A 65 6.777 -1.741 12.710 1.00 0.00 H new ATOM 0 HB THR A 65 5.217 -2.671 11.151 1.00 0.00 H new ATOM 0 HG1 THR A 65 6.526 -1.288 8.994 1.00 0.00 H new ATOM 0 HG21 THR A 65 4.316 -0.697 9.974 1.00 0.00 H new ATOM 0 HG22 THR A 65 4.835 -0.251 11.617 1.00 0.00 H new ATOM 0 HG23 THR A 65 5.853 0.166 10.218 1.00 0.00 H new ATOM 935 N GLY A 66 8.695 -3.258 10.537 1.00 0.00 N ATOM 936 CA GLY A 66 9.567 -4.409 10.370 1.00 0.00 C ATOM 937 C GLY A 66 8.911 -5.470 9.484 1.00 0.00 C ATOM 938 O GLY A 66 9.591 -6.153 8.719 1.00 0.00 O ATOM 0 H GLY A 66 8.672 -2.620 9.741 1.00 0.00 H new ATOM 0 HA2 GLY A 66 10.511 -4.093 9.927 1.00 0.00 H new ATOM 0 HA3 GLY A 66 9.800 -4.838 11.345 1.00 0.00 H new ATOM 942 N LYS A 67 7.596 -5.576 9.618 1.00 0.00 N ATOM 943 CA LYS A 67 6.841 -6.542 8.839 1.00 0.00 C ATOM 944 C LYS A 67 6.910 -6.164 7.358 1.00 0.00 C ATOM 945 O LYS A 67 7.442 -6.917 6.545 1.00 0.00 O ATOM 946 CB LYS A 67 5.414 -6.665 9.377 1.00 0.00 C ATOM 947 CG LYS A 67 5.091 -8.114 9.749 1.00 0.00 C ATOM 948 CD LYS A 67 4.139 -8.174 10.945 1.00 0.00 C ATOM 949 CE LYS A 67 3.455 -9.540 11.034 1.00 0.00 C ATOM 950 NZ LYS A 67 2.439 -9.541 12.110 1.00 0.00 N ATOM 0 H LYS A 67 7.035 -5.009 10.254 1.00 0.00 H new ATOM 0 HA LYS A 67 7.280 -7.535 8.935 1.00 0.00 H new ATOM 0 HB2 LYS A 67 5.295 -6.026 10.252 1.00 0.00 H new ATOM 0 HB3 LYS A 67 4.707 -6.312 8.626 1.00 0.00 H new ATOM 0 HG2 LYS A 67 4.641 -8.621 8.895 1.00 0.00 H new ATOM 0 HG3 LYS A 67 6.012 -8.646 9.986 1.00 0.00 H new ATOM 0 HD2 LYS A 67 4.692 -7.980 11.864 1.00 0.00 H new ATOM 0 HD3 LYS A 67 3.386 -7.391 10.854 1.00 0.00 H new ATOM 0 HE2 LYS A 67 2.984 -9.780 10.081 1.00 0.00 H new ATOM 0 HE3 LYS A 67 4.198 -10.314 11.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 1.984 -10.475 12.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 2.897 -9.333 13.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 1.721 -8.816 11.910 1.00 0.00 H new ATOM 964 N LEU A 68 6.363 -4.996 7.053 1.00 0.00 N ATOM 965 CA LEU A 68 6.356 -4.507 5.685 1.00 0.00 C ATOM 966 C LEU A 68 7.736 -4.730 5.061 1.00 0.00 C ATOM 967 O LEU A 68 8.754 -4.384 5.659 1.00 0.00 O ATOM 968 CB LEU A 68 5.886 -3.052 5.637 1.00 0.00 C ATOM 969 CG LEU A 68 4.377 -2.830 5.752 1.00 0.00 C ATOM 970 CD1 LEU A 68 3.670 -3.185 4.444 1.00 0.00 C ATOM 971 CD2 LEU A 68 3.799 -3.599 6.942 1.00 0.00 C ATOM 0 H LEU A 68 5.921 -4.374 7.730 1.00 0.00 H new ATOM 0 HA LEU A 68 5.640 -5.068 5.084 1.00 0.00 H new ATOM 0 HB2 LEU A 68 6.376 -2.506 6.443 1.00 0.00 H new ATOM 0 HB3 LEU A 68 6.228 -2.611 4.700 1.00 0.00 H new ATOM 0 HG LEU A 68 4.201 -1.770 5.936 1.00 0.00 H new ATOM 0 HD11 LEU A 68 2.598 -3.018 4.553 1.00 0.00 H new ATOM 0 HD12 LEU A 68 4.055 -2.557 3.640 1.00 0.00 H new ATOM 0 HD13 LEU A 68 3.852 -4.233 4.205 1.00 0.00 H new ATOM 0 HD21 LEU A 68 2.725 -3.424 7.001 1.00 0.00 H new ATOM 0 HD22 LEU A 68 3.986 -4.665 6.812 1.00 0.00 H new ATOM 0 HD23 LEU A 68 4.274 -3.257 7.862 1.00 0.00 H new ATOM 983 N MET A 69 7.725 -5.303 3.867 1.00 0.00 N ATOM 984 CA MET A 69 8.963 -5.575 3.156 1.00 0.00 C ATOM 985 C MET A 69 8.834 -5.218 1.674 1.00 0.00 C ATOM 986 O MET A 69 7.739 -5.256 1.116 1.00 0.00 O ATOM 987 CB MET A 69 9.316 -7.057 3.295 1.00 0.00 C ATOM 988 CG MET A 69 10.159 -7.534 2.109 1.00 0.00 C ATOM 989 SD MET A 69 10.957 -9.079 2.510 1.00 0.00 S ATOM 990 CE MET A 69 12.367 -8.991 1.418 1.00 0.00 C ATOM 0 H MET A 69 6.879 -5.587 3.374 1.00 0.00 H new ATOM 0 HA MET A 69 9.752 -4.962 3.591 1.00 0.00 H new ATOM 0 HB2 MET A 69 9.864 -7.218 4.223 1.00 0.00 H new ATOM 0 HB3 MET A 69 8.402 -7.648 3.357 1.00 0.00 H new ATOM 0 HG2 MET A 69 9.527 -7.659 1.230 1.00 0.00 H new ATOM 0 HG3 MET A 69 10.908 -6.783 1.859 1.00 0.00 H new ATOM 0 HE1 MET A 69 12.978 -9.885 1.540 1.00 0.00 H new ATOM 0 HE2 MET A 69 12.024 -8.924 0.386 1.00 0.00 H new ATOM 0 HE3 MET A 69 12.961 -8.110 1.661 1.00 0.00 H new ATOM 1000 N GLU A 70 9.968 -4.877 1.079 1.00 0.00 N ATOM 1001 CA GLU A 70 9.995 -4.513 -0.327 1.00 0.00 C ATOM 1002 C GLU A 70 9.668 -5.729 -1.197 1.00 0.00 C ATOM 1003 O GLU A 70 10.033 -6.855 -0.859 1.00 0.00 O ATOM 1004 CB GLU A 70 11.349 -3.913 -0.711 1.00 0.00 C ATOM 1005 CG GLU A 70 11.793 -2.864 0.311 1.00 0.00 C ATOM 1006 CD GLU A 70 13.250 -3.084 0.722 1.00 0.00 C ATOM 1007 OE1 GLU A 70 13.974 -3.723 -0.071 1.00 0.00 O ATOM 1008 OE2 GLU A 70 13.607 -2.607 1.821 1.00 0.00 O ATOM 0 H GLU A 70 10.875 -4.845 1.545 1.00 0.00 H new ATOM 0 HA GLU A 70 9.234 -3.752 -0.500 1.00 0.00 H new ATOM 0 HB2 GLU A 70 12.097 -4.704 -0.774 1.00 0.00 H new ATOM 0 HB3 GLU A 70 11.282 -3.458 -1.699 1.00 0.00 H new ATOM 0 HG2 GLU A 70 11.677 -1.866 -0.112 1.00 0.00 H new ATOM 0 HG3 GLU A 70 11.151 -2.913 1.191 1.00 0.00 H new ATOM 1015 N GLY A 71 8.984 -5.462 -2.299 1.00 0.00 N ATOM 1016 CA GLY A 71 8.603 -6.519 -3.219 1.00 0.00 C ATOM 1017 C GLY A 71 7.365 -7.264 -2.717 1.00 0.00 C ATOM 1018 O GLY A 71 7.137 -8.417 -3.084 1.00 0.00 O ATOM 0 H GLY A 71 8.683 -4.527 -2.576 1.00 0.00 H new ATOM 0 HA2 GLY A 71 8.402 -6.095 -4.203 1.00 0.00 H new ATOM 0 HA3 GLY A 71 9.430 -7.219 -3.337 1.00 0.00 H new ATOM 1022 N MET A 72 6.597 -6.576 -1.885 1.00 0.00 N ATOM 1023 CA MET A 72 5.387 -7.159 -1.328 1.00 0.00 C ATOM 1024 C MET A 72 4.145 -6.644 -2.057 1.00 0.00 C ATOM 1025 O MET A 72 4.020 -5.445 -2.306 1.00 0.00 O ATOM 1026 CB MET A 72 5.289 -6.809 0.158 1.00 0.00 C ATOM 1027 CG MET A 72 6.027 -7.842 1.014 1.00 0.00 C ATOM 1028 SD MET A 72 4.870 -9.041 1.654 1.00 0.00 S ATOM 1029 CE MET A 72 4.951 -8.650 3.395 1.00 0.00 C ATOM 0 H MET A 72 6.789 -5.621 -1.583 1.00 0.00 H new ATOM 0 HA MET A 72 5.436 -8.241 -1.453 1.00 0.00 H new ATOM 0 HB2 MET A 72 5.712 -5.819 0.331 1.00 0.00 H new ATOM 0 HB3 MET A 72 4.242 -6.765 0.457 1.00 0.00 H new ATOM 0 HG2 MET A 72 6.790 -8.343 0.418 1.00 0.00 H new ATOM 0 HG3 MET A 72 6.541 -7.345 1.837 1.00 0.00 H new ATOM 0 HE1 MET A 72 4.283 -9.311 3.948 1.00 0.00 H new ATOM 0 HE2 MET A 72 5.972 -8.786 3.751 1.00 0.00 H new ATOM 0 HE3 MET A 72 4.647 -7.615 3.550 1.00 0.00 H new ATOM 1039 N GLN A 73 3.258 -7.573 -2.378 1.00 0.00 N ATOM 1040 CA GLN A 73 2.030 -7.228 -3.073 1.00 0.00 C ATOM 1041 C GLN A 73 1.007 -6.654 -2.091 1.00 0.00 C ATOM 1042 O GLN A 73 0.596 -7.331 -1.149 1.00 0.00 O ATOM 1043 CB GLN A 73 1.459 -8.440 -3.813 1.00 0.00 C ATOM 1044 CG GLN A 73 0.031 -8.168 -4.291 1.00 0.00 C ATOM 1045 CD GLN A 73 -0.568 -9.407 -4.960 1.00 0.00 C ATOM 1046 OE1 GLN A 73 0.105 -10.390 -5.220 1.00 0.00 O ATOM 1047 NE2 GLN A 73 -1.868 -9.304 -5.221 1.00 0.00 N ATOM 0 H GLN A 73 3.365 -8.566 -2.169 1.00 0.00 H new ATOM 0 HA GLN A 73 2.259 -6.464 -3.816 1.00 0.00 H new ATOM 0 HB2 GLN A 73 2.092 -8.681 -4.667 1.00 0.00 H new ATOM 0 HB3 GLN A 73 1.467 -9.309 -3.155 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -0.589 -7.871 -3.445 1.00 0.00 H new ATOM 0 HG3 GLN A 73 0.031 -7.335 -4.994 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -2.371 -8.451 -4.976 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -2.362 -10.078 -5.666 1.00 0.00 H new ATOM 1056 N VAL A 74 0.626 -5.410 -2.343 1.00 0.00 N ATOM 1057 CA VAL A 74 -0.341 -4.737 -1.492 1.00 0.00 C ATOM 1058 C VAL A 74 -1.754 -5.032 -2.001 1.00 0.00 C ATOM 1059 O VAL A 74 -2.137 -4.577 -3.078 1.00 0.00 O ATOM 1060 CB VAL A 74 -0.029 -3.241 -1.428 1.00 0.00 C ATOM 1061 CG1 VAL A 74 -0.882 -2.548 -0.361 1.00 0.00 C ATOM 1062 CG2 VAL A 74 1.461 -3.002 -1.176 1.00 0.00 C ATOM 0 H VAL A 74 0.969 -4.851 -3.124 1.00 0.00 H new ATOM 0 HA VAL A 74 -0.278 -5.113 -0.471 1.00 0.00 H new ATOM 0 HB VAL A 74 -0.280 -2.805 -2.395 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -0.641 -1.485 -0.336 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -1.938 -2.675 -0.600 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -0.675 -2.990 0.614 1.00 0.00 H new ATOM 0 HG21 VAL A 74 1.656 -1.930 -1.135 1.00 0.00 H new ATOM 0 HG22 VAL A 74 1.748 -3.459 -0.229 1.00 0.00 H new ATOM 0 HG23 VAL A 74 2.042 -3.446 -1.984 1.00 0.00 H new ATOM 1072 N LEU A 75 -2.490 -5.791 -1.203 1.00 0.00 N ATOM 1073 CA LEU A 75 -3.852 -6.151 -1.559 1.00 0.00 C ATOM 1074 C LEU A 75 -4.724 -4.893 -1.559 1.00 0.00 C ATOM 1075 O LEU A 75 -5.391 -4.597 -2.549 1.00 0.00 O ATOM 1076 CB LEU A 75 -4.371 -7.259 -0.639 1.00 0.00 C ATOM 1077 CG LEU A 75 -3.533 -8.537 -0.591 1.00 0.00 C ATOM 1078 CD1 LEU A 75 -3.595 -9.182 0.794 1.00 0.00 C ATOM 1079 CD2 LEU A 75 -3.952 -9.510 -1.696 1.00 0.00 C ATOM 0 H LEU A 75 -2.169 -6.167 -0.311 1.00 0.00 H new ATOM 0 HA LEU A 75 -3.886 -6.563 -2.567 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -4.446 -6.859 0.372 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -5.381 -7.522 -0.954 1.00 0.00 H new ATOM 0 HG LEU A 75 -2.492 -8.270 -0.775 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -2.990 -10.089 0.800 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -3.210 -8.484 1.538 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -4.629 -9.433 1.032 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -3.340 -10.410 -1.639 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -5.001 -9.776 -1.568 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -3.813 -9.038 -2.669 1.00 0.00 H new ATOM 1091 N GLU A 76 -4.690 -4.188 -0.438 1.00 0.00 N ATOM 1092 CA GLU A 76 -5.470 -2.969 -0.297 1.00 0.00 C ATOM 1093 C GLU A 76 -4.713 -1.953 0.560 1.00 0.00 C ATOM 1094 O GLU A 76 -3.818 -2.319 1.320 1.00 0.00 O ATOM 1095 CB GLU A 76 -6.849 -3.266 0.295 1.00 0.00 C ATOM 1096 CG GLU A 76 -7.656 -4.181 -0.629 1.00 0.00 C ATOM 1097 CD GLU A 76 -7.412 -5.654 -0.292 1.00 0.00 C ATOM 1098 OE1 GLU A 76 -6.907 -5.905 0.823 1.00 0.00 O ATOM 1099 OE2 GLU A 76 -7.735 -6.495 -1.158 1.00 0.00 O ATOM 0 H GLU A 76 -4.135 -4.437 0.381 1.00 0.00 H new ATOM 0 HA GLU A 76 -5.621 -2.540 -1.288 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -6.736 -3.737 1.271 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -7.390 -2.333 0.452 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -8.718 -3.954 -0.535 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -7.380 -3.991 -1.666 1.00 0.00 H new ATOM 1106 N TRP A 77 -5.101 -0.695 0.408 1.00 0.00 N ATOM 1107 CA TRP A 77 -4.470 0.378 1.158 1.00 0.00 C ATOM 1108 C TRP A 77 -5.575 1.285 1.706 1.00 0.00 C ATOM 1109 O TRP A 77 -6.393 1.801 0.945 1.00 0.00 O ATOM 1110 CB TRP A 77 -3.454 1.128 0.295 1.00 0.00 C ATOM 1111 CG TRP A 77 -3.046 2.492 0.856 1.00 0.00 C ATOM 1112 CD1 TRP A 77 -3.660 3.670 0.685 1.00 0.00 C ATOM 1113 CD2 TRP A 77 -1.903 2.770 1.691 1.00 0.00 C ATOM 1114 NE1 TRP A 77 -2.997 4.685 1.346 1.00 0.00 N ATOM 1115 CE2 TRP A 77 -1.895 4.120 1.977 1.00 0.00 C ATOM 1116 CE3 TRP A 77 -0.907 1.911 2.188 1.00 0.00 C ATOM 1117 CZ2 TRP A 77 -0.915 4.730 2.769 1.00 0.00 C ATOM 1118 CZ3 TRP A 77 0.065 2.536 2.978 1.00 0.00 C ATOM 1119 CH2 TRP A 77 0.087 3.893 3.275 1.00 0.00 C ATOM 0 H TRP A 77 -5.844 -0.395 -0.223 1.00 0.00 H new ATOM 0 HA TRP A 77 -3.899 -0.022 1.996 1.00 0.00 H new ATOM 0 HB2 TRP A 77 -2.562 0.511 0.183 1.00 0.00 H new ATOM 0 HB3 TRP A 77 -3.872 1.267 -0.702 1.00 0.00 H new ATOM 0 HD1 TRP A 77 -4.560 3.808 0.104 1.00 0.00 H new ATOM 0 HE1 TRP A 77 -3.266 5.669 1.367 1.00 0.00 H new ATOM 0 HE3 TRP A 77 -0.893 0.852 1.977 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 -0.931 5.789 2.978 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 0.853 1.920 3.385 1.00 0.00 H new ATOM 0 HH2 TRP A 77 0.873 4.300 3.893 1.00 0.00 H new ATOM 1130 N ASN A 78 -5.563 1.453 3.020 1.00 0.00 N ATOM 1131 CA ASN A 78 -6.553 2.288 3.677 1.00 0.00 C ATOM 1132 C ASN A 78 -7.954 1.783 3.326 1.00 0.00 C ATOM 1133 O ASN A 78 -8.904 2.563 3.277 1.00 0.00 O ATOM 1134 CB ASN A 78 -6.444 3.741 3.211 1.00 0.00 C ATOM 1135 CG ASN A 78 -5.565 4.557 4.161 1.00 0.00 C ATOM 1136 OD1 ASN A 78 -5.561 4.362 5.366 1.00 0.00 O ATOM 1137 ND2 ASN A 78 -4.823 5.478 3.555 1.00 0.00 N ATOM 0 H ASN A 78 -4.883 1.025 3.648 1.00 0.00 H new ATOM 0 HA ASN A 78 -6.376 2.239 4.751 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -6.026 3.774 2.205 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -7.438 4.185 3.158 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -4.202 6.074 4.103 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -4.874 5.589 2.542 1.00 0.00 H new ATOM 1144 N GLY A 79 -8.037 0.482 3.091 1.00 0.00 N ATOM 1145 CA GLY A 79 -9.306 -0.136 2.746 1.00 0.00 C ATOM 1146 C GLY A 79 -9.522 -0.136 1.231 1.00 0.00 C ATOM 1147 O GLY A 79 -9.978 -1.129 0.666 1.00 0.00 O ATOM 0 H GLY A 79 -7.246 -0.161 3.133 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -9.330 -1.159 3.120 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -10.120 0.401 3.233 1.00 0.00 H new ATOM 1151 N ILE A 80 -9.185 0.989 0.617 1.00 0.00 N ATOM 1152 CA ILE A 80 -9.336 1.130 -0.821 1.00 0.00 C ATOM 1153 C ILE A 80 -8.385 0.162 -1.528 1.00 0.00 C ATOM 1154 O ILE A 80 -7.182 0.168 -1.270 1.00 0.00 O ATOM 1155 CB ILE A 80 -9.149 2.590 -1.238 1.00 0.00 C ATOM 1156 CG1 ILE A 80 -9.825 3.536 -0.243 1.00 0.00 C ATOM 1157 CG2 ILE A 80 -9.637 2.820 -2.670 1.00 0.00 C ATOM 1158 CD1 ILE A 80 -8.801 4.155 0.710 1.00 0.00 C ATOM 0 H ILE A 80 -8.808 1.811 1.089 1.00 0.00 H new ATOM 0 HA ILE A 80 -10.348 0.862 -1.126 1.00 0.00 H new ATOM 0 HB ILE A 80 -8.082 2.815 -1.222 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -10.347 4.325 -0.784 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -10.576 2.991 0.329 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -9.492 3.866 -2.940 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -9.071 2.187 -3.353 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -10.696 2.571 -2.738 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -9.309 4.823 1.406 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -8.298 3.365 1.267 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -8.065 4.719 0.137 1.00 0.00 H new ATOM 1170 N PRO A 81 -8.975 -0.669 -2.428 1.00 0.00 N ATOM 1171 CA PRO A 81 -8.195 -1.640 -3.173 1.00 0.00 C ATOM 1172 C PRO A 81 -7.384 -0.961 -4.280 1.00 0.00 C ATOM 1173 O PRO A 81 -7.804 0.059 -4.823 1.00 0.00 O ATOM 1174 CB PRO A 81 -9.211 -2.636 -3.708 1.00 0.00 C ATOM 1175 CG PRO A 81 -10.558 -1.935 -3.637 1.00 0.00 C ATOM 1176 CD PRO A 81 -10.397 -0.705 -2.759 1.00 0.00 C ATOM 0 HA PRO A 81 -7.451 -2.143 -2.555 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -8.974 -2.924 -4.732 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -9.214 -3.549 -3.113 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -10.894 -1.651 -4.634 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -11.314 -2.602 -3.224 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -10.704 0.199 -3.284 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -11.011 -0.776 -1.861 1.00 0.00 H new ATOM 1184 N LEU A 82 -6.238 -1.555 -4.579 1.00 0.00 N ATOM 1185 CA LEU A 82 -5.365 -1.019 -5.610 1.00 0.00 C ATOM 1186 C LEU A 82 -5.377 -1.957 -6.819 1.00 0.00 C ATOM 1187 O LEU A 82 -4.993 -1.562 -7.919 1.00 0.00 O ATOM 1188 CB LEU A 82 -3.968 -0.758 -5.047 1.00 0.00 C ATOM 1189 CG LEU A 82 -3.904 0.082 -3.770 1.00 0.00 C ATOM 1190 CD1 LEU A 82 -2.471 0.175 -3.245 1.00 0.00 C ATOM 1191 CD2 LEU A 82 -4.524 1.463 -3.992 1.00 0.00 C ATOM 0 H LEU A 82 -5.894 -2.402 -4.126 1.00 0.00 H new ATOM 0 HA LEU A 82 -5.730 -0.051 -5.953 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -3.492 -1.719 -4.850 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -3.376 -0.261 -5.815 1.00 0.00 H new ATOM 0 HG LEU A 82 -4.495 -0.418 -3.003 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -2.455 0.778 -2.337 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -2.099 -0.825 -3.023 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -1.836 0.639 -4.000 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -4.466 2.040 -3.069 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -3.980 1.983 -4.781 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -5.568 1.350 -4.285 1.00 0.00 H new ATOM 1203 N THR A 83 -5.821 -3.180 -6.575 1.00 0.00 N ATOM 1204 CA THR A 83 -5.887 -4.178 -7.629 1.00 0.00 C ATOM 1205 C THR A 83 -6.834 -3.718 -8.739 1.00 0.00 C ATOM 1206 O THR A 83 -7.925 -3.222 -8.464 1.00 0.00 O ATOM 1207 CB THR A 83 -6.295 -5.510 -6.996 1.00 0.00 C ATOM 1208 OG1 THR A 83 -5.196 -5.845 -6.153 1.00 0.00 O ATOM 1209 CG2 THR A 83 -6.347 -6.651 -8.013 1.00 0.00 C ATOM 0 H THR A 83 -6.139 -3.504 -5.662 1.00 0.00 H new ATOM 0 HA THR A 83 -4.917 -4.313 -8.107 1.00 0.00 H new ATOM 0 HB THR A 83 -7.271 -5.402 -6.522 1.00 0.00 H new ATOM 0 HG1 THR A 83 -5.377 -6.696 -5.701 1.00 0.00 H new ATOM 0 HG21 THR A 83 -6.641 -7.573 -7.511 1.00 0.00 H new ATOM 0 HG22 THR A 83 -7.073 -6.413 -8.790 1.00 0.00 H new ATOM 0 HG23 THR A 83 -5.363 -6.782 -8.464 1.00 0.00 H new ATOM 1217 N SER A 84 -6.380 -3.897 -9.972 1.00 0.00 N ATOM 1218 CA SER A 84 -7.173 -3.506 -11.125 1.00 0.00 C ATOM 1219 C SER A 84 -7.225 -1.981 -11.232 1.00 0.00 C ATOM 1220 O SER A 84 -8.278 -1.410 -11.511 1.00 0.00 O ATOM 1221 CB SER A 84 -8.589 -4.081 -11.041 1.00 0.00 C ATOM 1222 OG SER A 84 -8.588 -5.438 -10.607 1.00 0.00 O ATOM 0 H SER A 84 -5.474 -4.307 -10.197 1.00 0.00 H new ATOM 0 HA SER A 84 -6.698 -3.910 -12.019 1.00 0.00 H new ATOM 0 HB2 SER A 84 -9.184 -3.481 -10.353 1.00 0.00 H new ATOM 0 HB3 SER A 84 -9.067 -4.013 -12.018 1.00 0.00 H new ATOM 0 HG SER A 84 -9.510 -5.769 -10.564 1.00 0.00 H new ATOM 1228 N LYS A 85 -6.075 -1.365 -11.004 1.00 0.00 N ATOM 1229 CA LYS A 85 -5.976 0.084 -11.071 1.00 0.00 C ATOM 1230 C LYS A 85 -4.760 0.469 -11.917 1.00 0.00 C ATOM 1231 O LYS A 85 -4.303 -0.315 -12.746 1.00 0.00 O ATOM 1232 CB LYS A 85 -5.963 0.686 -9.665 1.00 0.00 C ATOM 1233 CG LYS A 85 -7.072 0.084 -8.800 1.00 0.00 C ATOM 1234 CD LYS A 85 -8.406 0.788 -9.052 1.00 0.00 C ATOM 1235 CE LYS A 85 -9.161 1.019 -7.740 1.00 0.00 C ATOM 1236 NZ LYS A 85 -10.537 1.491 -8.010 1.00 0.00 N ATOM 0 H LYS A 85 -5.204 -1.842 -10.773 1.00 0.00 H new ATOM 0 HA LYS A 85 -6.853 0.504 -11.563 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -4.995 0.507 -9.198 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -6.092 1.767 -9.727 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -7.171 -0.979 -9.018 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -6.804 0.170 -7.747 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -8.229 1.743 -9.547 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -9.017 0.187 -9.726 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -9.194 0.094 -7.165 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -8.631 1.753 -7.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -11.035 1.643 -7.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -10.500 2.385 -8.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -11.045 0.777 -8.571 1.00 0.00 H new ATOM 1250 N THR A 86 -4.272 1.677 -11.678 1.00 0.00 N ATOM 1251 CA THR A 86 -3.119 2.177 -12.406 1.00 0.00 C ATOM 1252 C THR A 86 -2.164 2.905 -11.460 1.00 0.00 C ATOM 1253 O THR A 86 -2.588 3.449 -10.440 1.00 0.00 O ATOM 1254 CB THR A 86 -3.627 3.054 -13.551 1.00 0.00 C ATOM 1255 OG1 THR A 86 -4.466 4.011 -12.910 1.00 0.00 O ATOM 1256 CG2 THR A 86 -4.571 2.302 -14.492 1.00 0.00 C ATOM 0 H THR A 86 -4.655 2.325 -10.989 1.00 0.00 H new ATOM 0 HA THR A 86 -2.539 1.360 -12.836 1.00 0.00 H new ATOM 0 HB THR A 86 -2.778 3.436 -14.118 1.00 0.00 H new ATOM 0 HG1 THR A 86 -5.374 3.650 -12.832 1.00 0.00 H new ATOM 0 HG21 THR A 86 -4.902 2.971 -15.286 1.00 0.00 H new ATOM 0 HG22 THR A 86 -4.048 1.451 -14.928 1.00 0.00 H new ATOM 0 HG23 THR A 86 -5.437 1.948 -13.932 1.00 0.00 H new ATOM 1264 N TYR A 87 -0.891 2.894 -11.828 1.00 0.00 N ATOM 1265 CA TYR A 87 0.128 3.547 -11.025 1.00 0.00 C ATOM 1266 C TYR A 87 -0.395 4.860 -10.439 1.00 0.00 C ATOM 1267 O TYR A 87 -0.416 5.036 -9.222 1.00 0.00 O ATOM 1268 CB TYR A 87 1.285 3.853 -11.978 1.00 0.00 C ATOM 1269 CG TYR A 87 2.534 4.401 -11.284 1.00 0.00 C ATOM 1270 CD1 TYR A 87 2.520 5.668 -10.738 1.00 0.00 C ATOM 1271 CD2 TYR A 87 3.674 3.627 -11.204 1.00 0.00 C ATOM 1272 CE1 TYR A 87 3.696 6.184 -10.086 1.00 0.00 C ATOM 1273 CE2 TYR A 87 4.850 4.143 -10.552 1.00 0.00 C ATOM 1274 CZ TYR A 87 4.802 5.395 -10.024 1.00 0.00 C ATOM 1275 OH TYR A 87 5.912 5.882 -9.408 1.00 0.00 O ATOM 0 H TYR A 87 -0.542 2.442 -12.673 1.00 0.00 H new ATOM 0 HA TYR A 87 0.429 2.909 -10.194 1.00 0.00 H new ATOM 0 HB2 TYR A 87 1.550 2.942 -12.515 1.00 0.00 H new ATOM 0 HB3 TYR A 87 0.948 4.575 -12.722 1.00 0.00 H new ATOM 0 HD1 TYR A 87 1.627 6.273 -10.800 1.00 0.00 H new ATOM 0 HD2 TYR A 87 3.684 2.635 -11.630 1.00 0.00 H new ATOM 0 HE1 TYR A 87 3.699 7.175 -9.656 1.00 0.00 H new ATOM 0 HE2 TYR A 87 5.749 3.549 -10.484 1.00 0.00 H new ATOM 0 HH TYR A 87 6.624 5.210 -9.438 1.00 0.00 H new ATOM 1285 N GLU A 88 -0.804 5.749 -11.333 1.00 0.00 N ATOM 1286 CA GLU A 88 -1.324 7.041 -10.919 1.00 0.00 C ATOM 1287 C GLU A 88 -2.461 6.857 -9.911 1.00 0.00 C ATOM 1288 O GLU A 88 -2.328 7.230 -8.746 1.00 0.00 O ATOM 1289 CB GLU A 88 -1.791 7.856 -12.127 1.00 0.00 C ATOM 1290 CG GLU A 88 -0.669 8.758 -12.646 1.00 0.00 C ATOM 1291 CD GLU A 88 -1.177 10.181 -12.888 1.00 0.00 C ATOM 1292 OE1 GLU A 88 -1.732 10.756 -11.929 1.00 0.00 O ATOM 1293 OE2 GLU A 88 -0.998 10.661 -14.029 1.00 0.00 O ATOM 0 H GLU A 88 -0.786 5.600 -12.342 1.00 0.00 H new ATOM 0 HA GLU A 88 -0.521 7.596 -10.435 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -2.118 7.183 -12.920 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -2.652 8.464 -11.849 1.00 0.00 H new ATOM 0 HG2 GLU A 88 0.149 8.778 -11.926 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -0.268 8.349 -13.573 1.00 0.00 H new ATOM 1300 N GLU A 89 -3.552 6.282 -10.394 1.00 0.00 N ATOM 1301 CA GLU A 89 -4.710 6.044 -9.550 1.00 0.00 C ATOM 1302 C GLU A 89 -4.268 5.575 -8.162 1.00 0.00 C ATOM 1303 O GLU A 89 -4.578 6.215 -7.158 1.00 0.00 O ATOM 1304 CB GLU A 89 -5.659 5.032 -10.194 1.00 0.00 C ATOM 1305 CG GLU A 89 -6.392 5.649 -11.388 1.00 0.00 C ATOM 1306 CD GLU A 89 -7.496 4.719 -11.893 1.00 0.00 C ATOM 1307 OE1 GLU A 89 -7.139 3.721 -12.555 1.00 0.00 O ATOM 1308 OE2 GLU A 89 -8.673 5.028 -11.608 1.00 0.00 O ATOM 0 H GLU A 89 -3.659 5.974 -11.360 1.00 0.00 H new ATOM 0 HA GLU A 89 -5.253 6.982 -9.439 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -5.096 4.157 -10.521 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -6.384 4.687 -9.456 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -6.823 6.608 -11.099 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -5.683 5.848 -12.192 1.00 0.00 H new ATOM 1315 N VAL A 90 -3.549 4.462 -8.150 1.00 0.00 N ATOM 1316 CA VAL A 90 -3.062 3.900 -6.903 1.00 0.00 C ATOM 1317 C VAL A 90 -2.362 4.994 -6.094 1.00 0.00 C ATOM 1318 O VAL A 90 -2.791 5.326 -4.990 1.00 0.00 O ATOM 1319 CB VAL A 90 -2.158 2.698 -7.187 1.00 0.00 C ATOM 1320 CG1 VAL A 90 -1.536 2.162 -5.897 1.00 0.00 C ATOM 1321 CG2 VAL A 90 -2.925 1.598 -7.925 1.00 0.00 C ATOM 0 H VAL A 90 -3.292 3.935 -8.985 1.00 0.00 H new ATOM 0 HA VAL A 90 -3.893 3.531 -6.302 1.00 0.00 H new ATOM 0 HB VAL A 90 -1.348 3.034 -7.834 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -0.899 1.308 -6.128 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -0.939 2.944 -5.428 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -2.326 1.850 -5.214 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -2.260 0.755 -8.115 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -3.765 1.267 -7.314 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -3.297 1.987 -8.873 1.00 0.00 H new ATOM 1331 N GLN A 91 -1.297 5.525 -6.676 1.00 0.00 N ATOM 1332 CA GLN A 91 -0.533 6.575 -6.023 1.00 0.00 C ATOM 1333 C GLN A 91 -1.473 7.550 -5.310 1.00 0.00 C ATOM 1334 O GLN A 91 -1.376 7.737 -4.098 1.00 0.00 O ATOM 1335 CB GLN A 91 0.359 7.309 -7.026 1.00 0.00 C ATOM 1336 CG GLN A 91 1.729 7.616 -6.419 1.00 0.00 C ATOM 1337 CD GLN A 91 2.190 9.027 -6.792 1.00 0.00 C ATOM 1338 OE1 GLN A 91 3.243 9.230 -7.375 1.00 0.00 O ATOM 1339 NE2 GLN A 91 1.346 9.987 -6.426 1.00 0.00 N ATOM 0 H GLN A 91 -0.945 5.248 -7.592 1.00 0.00 H new ATOM 0 HA GLN A 91 0.116 6.115 -5.278 1.00 0.00 H new ATOM 0 HB2 GLN A 91 0.482 6.700 -7.922 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -0.122 8.237 -7.335 1.00 0.00 H new ATOM 0 HG2 GLN A 91 1.680 7.520 -5.334 1.00 0.00 H new ATOM 0 HG3 GLN A 91 2.458 6.886 -6.771 1.00 0.00 H new ATOM 0 HE21 GLN A 91 0.481 9.748 -5.941 1.00 0.00 H new ATOM 0 HE22 GLN A 91 1.563 10.962 -6.631 1.00 0.00 H new ATOM 1348 N SER A 92 -2.362 8.144 -6.093 1.00 0.00 N ATOM 1349 CA SER A 92 -3.319 9.095 -5.552 1.00 0.00 C ATOM 1350 C SER A 92 -3.972 8.520 -4.293 1.00 0.00 C ATOM 1351 O SER A 92 -4.056 9.196 -3.269 1.00 0.00 O ATOM 1352 CB SER A 92 -4.386 9.452 -6.587 1.00 0.00 C ATOM 1353 OG SER A 92 -4.938 10.746 -6.360 1.00 0.00 O ATOM 0 H SER A 92 -2.440 7.985 -7.098 1.00 0.00 H new ATOM 0 HA SER A 92 -2.784 10.009 -5.292 1.00 0.00 H new ATOM 0 HB2 SER A 92 -3.950 9.414 -7.585 1.00 0.00 H new ATOM 0 HB3 SER A 92 -5.182 8.708 -6.558 1.00 0.00 H new ATOM 0 HG SER A 92 -5.614 10.938 -7.043 1.00 0.00 H new ATOM 1359 N ILE A 93 -4.418 7.279 -4.411 1.00 0.00 N ATOM 1360 CA ILE A 93 -5.061 6.605 -3.295 1.00 0.00 C ATOM 1361 C ILE A 93 -4.112 6.595 -2.095 1.00 0.00 C ATOM 1362 O ILE A 93 -4.543 6.770 -0.957 1.00 0.00 O ATOM 1363 CB ILE A 93 -5.540 5.213 -3.712 1.00 0.00 C ATOM 1364 CG1 ILE A 93 -6.857 5.295 -4.487 1.00 0.00 C ATOM 1365 CG2 ILE A 93 -5.643 4.282 -2.502 1.00 0.00 C ATOM 1366 CD1 ILE A 93 -7.264 3.921 -5.024 1.00 0.00 C ATOM 0 H ILE A 93 -4.347 6.722 -5.262 1.00 0.00 H new ATOM 0 HA ILE A 93 -5.957 7.146 -2.989 1.00 0.00 H new ATOM 0 HB ILE A 93 -4.797 4.784 -4.385 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -7.642 5.683 -3.837 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -6.753 5.997 -5.315 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -5.986 3.300 -2.827 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -4.664 4.188 -2.031 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -6.352 4.695 -1.785 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -8.203 4.008 -5.571 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -6.488 3.547 -5.692 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -7.391 3.228 -4.192 1.00 0.00 H new ATOM 1378 N ILE A 94 -2.838 6.387 -2.391 1.00 0.00 N ATOM 1379 CA ILE A 94 -1.824 6.352 -1.351 1.00 0.00 C ATOM 1380 C ILE A 94 -1.485 7.782 -0.926 1.00 0.00 C ATOM 1381 O ILE A 94 -1.686 8.155 0.229 1.00 0.00 O ATOM 1382 CB ILE A 94 -0.610 5.544 -1.813 1.00 0.00 C ATOM 1383 CG1 ILE A 94 -1.007 4.514 -2.872 1.00 0.00 C ATOM 1384 CG2 ILE A 94 0.104 4.898 -0.624 1.00 0.00 C ATOM 1385 CD1 ILE A 94 -0.098 3.285 -2.810 1.00 0.00 C ATOM 0 H ILE A 94 -2.484 6.241 -3.337 1.00 0.00 H new ATOM 0 HA ILE A 94 -2.203 5.838 -0.468 1.00 0.00 H new ATOM 0 HB ILE A 94 0.098 6.229 -2.280 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -2.043 4.212 -2.720 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -0.948 4.965 -3.863 1.00 0.00 H new ATOM 0 HG21 ILE A 94 0.963 4.330 -0.980 1.00 0.00 H new ATOM 0 HG22 ILE A 94 0.442 5.674 0.063 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -0.584 4.229 -0.106 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -0.402 2.569 -3.573 1.00 0.00 H new ATOM 0 HD12 ILE A 94 0.934 3.587 -2.986 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -0.178 2.823 -1.826 1.00 0.00 H new ATOM 1397 N SER A 95 -0.977 8.546 -1.883 1.00 0.00 N ATOM 1398 CA SER A 95 -0.608 9.927 -1.622 1.00 0.00 C ATOM 1399 C SER A 95 -1.860 10.756 -1.330 1.00 0.00 C ATOM 1400 O SER A 95 -2.267 11.582 -2.145 1.00 0.00 O ATOM 1401 CB SER A 95 0.159 10.524 -2.804 1.00 0.00 C ATOM 1402 OG SER A 95 1.530 10.133 -2.802 1.00 0.00 O ATOM 0 H SER A 95 -0.812 8.234 -2.840 1.00 0.00 H new ATOM 0 HA SER A 95 0.046 9.948 -0.750 1.00 0.00 H new ATOM 0 HB2 SER A 95 -0.307 10.206 -3.737 1.00 0.00 H new ATOM 0 HB3 SER A 95 0.092 11.611 -2.768 1.00 0.00 H new ATOM 0 HG SER A 95 1.985 10.533 -3.572 1.00 0.00 H new ATOM 1408 N GLN A 96 -2.437 10.506 -0.163 1.00 0.00 N ATOM 1409 CA GLN A 96 -3.634 11.220 0.249 1.00 0.00 C ATOM 1410 C GLN A 96 -4.076 10.758 1.639 1.00 0.00 C ATOM 1411 O GLN A 96 -5.097 10.087 1.778 1.00 0.00 O ATOM 1412 CB GLN A 96 -4.759 11.038 -0.773 1.00 0.00 C ATOM 1413 CG GLN A 96 -5.720 12.228 -0.748 1.00 0.00 C ATOM 1414 CD GLN A 96 -5.564 13.085 -2.005 1.00 0.00 C ATOM 1415 OE1 GLN A 96 -5.963 12.712 -3.097 1.00 0.00 O ATOM 1416 NE2 GLN A 96 -4.961 14.252 -1.794 1.00 0.00 N ATOM 0 H GLN A 96 -2.098 9.819 0.510 1.00 0.00 H new ATOM 0 HA GLN A 96 -3.401 12.284 0.299 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -4.334 10.930 -1.771 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -5.306 10.120 -0.558 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -6.747 11.869 -0.673 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -5.529 12.836 0.137 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -4.651 14.504 -0.855 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -4.809 14.895 -2.571 1.00 0.00 H new ATOM 1425 N GLN A 97 -3.285 11.137 2.632 1.00 0.00 N ATOM 1426 CA GLN A 97 -3.582 10.771 4.006 1.00 0.00 C ATOM 1427 C GLN A 97 -2.673 11.539 4.968 1.00 0.00 C ATOM 1428 O GLN A 97 -1.473 11.276 5.037 1.00 0.00 O ATOM 1429 CB GLN A 97 -3.447 9.261 4.212 1.00 0.00 C ATOM 1430 CG GLN A 97 -3.999 8.842 5.577 1.00 0.00 C ATOM 1431 CD GLN A 97 -5.397 8.235 5.440 1.00 0.00 C ATOM 1432 OE1 GLN A 97 -5.907 8.025 4.351 1.00 0.00 O ATOM 1433 NE2 GLN A 97 -5.987 7.967 6.602 1.00 0.00 N ATOM 0 H GLN A 97 -2.439 11.694 2.512 1.00 0.00 H new ATOM 0 HA GLN A 97 -4.616 11.043 4.219 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -3.982 8.733 3.422 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -2.399 8.972 4.135 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -3.328 8.118 6.038 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -4.037 9.707 6.239 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -5.504 8.168 7.478 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -6.923 7.561 6.617 1.00 0.00 H new ATOM 1442 N SER A 98 -3.280 12.471 5.688 1.00 0.00 N ATOM 1443 CA SER A 98 -2.541 13.278 6.643 1.00 0.00 C ATOM 1444 C SER A 98 -2.528 12.591 8.010 1.00 0.00 C ATOM 1445 O SER A 98 -3.345 12.905 8.874 1.00 0.00 O ATOM 1446 CB SER A 98 -3.141 14.681 6.759 1.00 0.00 C ATOM 1447 OG SER A 98 -3.010 15.420 5.548 1.00 0.00 O ATOM 0 H SER A 98 -4.276 12.685 5.629 1.00 0.00 H new ATOM 0 HA SER A 98 -1.516 13.379 6.285 1.00 0.00 H new ATOM 0 HB2 SER A 98 -4.195 14.603 7.024 1.00 0.00 H new ATOM 0 HB3 SER A 98 -2.648 15.220 7.568 1.00 0.00 H new ATOM 0 HG SER A 98 -3.407 16.309 5.663 1.00 0.00 H new ATOM 1453 N GLY A 99 -1.591 11.667 8.163 1.00 0.00 N ATOM 1454 CA GLY A 99 -1.461 10.932 9.410 1.00 0.00 C ATOM 1455 C GLY A 99 -1.365 9.427 9.153 1.00 0.00 C ATOM 1456 O GLY A 99 -1.367 8.989 8.004 1.00 0.00 O ATOM 0 H GLY A 99 -0.914 11.410 7.444 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -0.573 11.270 9.945 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -2.318 11.141 10.050 1.00 0.00 H new ATOM 1460 N GLU A 100 -1.283 8.677 10.242 1.00 0.00 N ATOM 1461 CA GLU A 100 -1.186 7.230 10.149 1.00 0.00 C ATOM 1462 C GLU A 100 -2.088 6.709 9.028 1.00 0.00 C ATOM 1463 O GLU A 100 -3.048 7.373 8.641 1.00 0.00 O ATOM 1464 CB GLU A 100 -1.534 6.571 11.484 1.00 0.00 C ATOM 1465 CG GLU A 100 -3.041 6.615 11.741 1.00 0.00 C ATOM 1466 CD GLU A 100 -3.589 8.030 11.552 1.00 0.00 C ATOM 1467 OE1 GLU A 100 -3.221 8.896 12.374 1.00 0.00 O ATOM 1468 OE2 GLU A 100 -4.366 8.215 10.589 1.00 0.00 O ATOM 0 H GLU A 100 -1.282 9.044 11.194 1.00 0.00 H new ATOM 0 HA GLU A 100 -0.155 6.968 9.910 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -1.192 5.536 11.483 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -1.009 7.079 12.292 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -3.549 5.931 11.062 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -3.251 6.272 12.754 1.00 0.00 H new ATOM 1475 N ALA A 101 -1.746 5.527 8.539 1.00 0.00 N ATOM 1476 CA ALA A 101 -2.513 4.909 7.470 1.00 0.00 C ATOM 1477 C ALA A 101 -2.504 3.390 7.654 1.00 0.00 C ATOM 1478 O ALA A 101 -1.694 2.858 8.412 1.00 0.00 O ATOM 1479 CB ALA A 101 -1.939 5.335 6.118 1.00 0.00 C ATOM 0 H ALA A 101 -0.948 4.980 8.863 1.00 0.00 H new ATOM 0 HA ALA A 101 -3.551 5.239 7.502 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -2.514 4.872 5.316 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -1.995 6.420 6.025 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -0.898 5.018 6.048 1.00 0.00 H new ATOM 1485 N GLU A 102 -3.414 2.735 6.949 1.00 0.00 N ATOM 1486 CA GLU A 102 -3.521 1.288 7.025 1.00 0.00 C ATOM 1487 C GLU A 102 -3.208 0.660 5.666 1.00 0.00 C ATOM 1488 O GLU A 102 -3.645 1.161 4.631 1.00 0.00 O ATOM 1489 CB GLU A 102 -4.908 0.866 7.517 1.00 0.00 C ATOM 1490 CG GLU A 102 -4.809 0.069 8.819 1.00 0.00 C ATOM 1491 CD GLU A 102 -6.070 0.243 9.666 1.00 0.00 C ATOM 1492 OE1 GLU A 102 -6.563 1.389 9.723 1.00 0.00 O ATOM 1493 OE2 GLU A 102 -6.515 -0.777 10.239 1.00 0.00 O ATOM 0 H GLU A 102 -4.084 3.180 6.322 1.00 0.00 H new ATOM 0 HA GLU A 102 -2.789 0.927 7.747 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -5.527 1.750 7.674 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -5.401 0.263 6.754 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -4.662 -0.987 8.593 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -3.938 0.398 9.386 1.00 0.00 H new ATOM 1500 N ILE A 103 -2.453 -0.428 5.713 1.00 0.00 N ATOM 1501 CA ILE A 103 -2.077 -1.130 4.497 1.00 0.00 C ATOM 1502 C ILE A 103 -2.428 -2.612 4.639 1.00 0.00 C ATOM 1503 O ILE A 103 -2.337 -3.174 5.729 1.00 0.00 O ATOM 1504 CB ILE A 103 -0.604 -0.877 4.167 1.00 0.00 C ATOM 1505 CG1 ILE A 103 -0.185 -1.639 2.909 1.00 0.00 C ATOM 1506 CG2 ILE A 103 0.291 -1.207 5.364 1.00 0.00 C ATOM 1507 CD1 ILE A 103 1.274 -1.347 2.552 1.00 0.00 C ATOM 0 H ILE A 103 -2.092 -0.840 6.573 1.00 0.00 H new ATOM 0 HA ILE A 103 -2.642 -0.748 3.647 1.00 0.00 H new ATOM 0 HB ILE A 103 -0.479 0.185 3.956 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -0.317 -2.709 3.067 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -0.830 -1.357 2.077 1.00 0.00 H new ATOM 0 HG21 ILE A 103 1.332 -1.018 5.103 1.00 0.00 H new ATOM 0 HG22 ILE A 103 0.011 -0.581 6.211 1.00 0.00 H new ATOM 0 HG23 ILE A 103 0.168 -2.257 5.632 1.00 0.00 H new ATOM 0 HD11 ILE A 103 1.547 -1.901 1.654 1.00 0.00 H new ATOM 0 HD12 ILE A 103 1.398 -0.279 2.371 1.00 0.00 H new ATOM 0 HD13 ILE A 103 1.918 -1.652 3.376 1.00 0.00 H new ATOM 1519 N CYS A 104 -2.824 -3.203 3.521 1.00 0.00 N ATOM 1520 CA CYS A 104 -3.190 -4.608 3.507 1.00 0.00 C ATOM 1521 C CYS A 104 -2.353 -5.312 2.437 1.00 0.00 C ATOM 1522 O CYS A 104 -2.656 -5.223 1.249 1.00 0.00 O ATOM 1523 CB CYS A 104 -4.690 -4.800 3.276 1.00 0.00 C ATOM 1524 SG CYS A 104 -5.641 -3.768 4.449 1.00 0.00 S ATOM 0 H CYS A 104 -2.899 -2.734 2.619 1.00 0.00 H new ATOM 0 HA CYS A 104 -2.980 -5.051 4.481 1.00 0.00 H new ATOM 0 HB2 CYS A 104 -4.946 -4.530 2.251 1.00 0.00 H new ATOM 0 HB3 CYS A 104 -4.955 -5.849 3.405 1.00 0.00 H new ATOM 0 HG CYS A 104 -6.913 -3.937 4.243 1.00 0.00 H new ATOM 1530 N VAL A 105 -1.317 -5.998 2.897 1.00 0.00 N ATOM 1531 CA VAL A 105 -0.433 -6.716 1.994 1.00 0.00 C ATOM 1532 C VAL A 105 -0.553 -8.219 2.259 1.00 0.00 C ATOM 1533 O VAL A 105 -1.051 -8.630 3.306 1.00 0.00 O ATOM 1534 CB VAL A 105 0.998 -6.196 2.137 1.00 0.00 C ATOM 1535 CG1 VAL A 105 1.220 -5.575 3.518 1.00 0.00 C ATOM 1536 CG2 VAL A 105 2.015 -7.307 1.866 1.00 0.00 C ATOM 0 H VAL A 105 -1.070 -6.072 3.884 1.00 0.00 H new ATOM 0 HA VAL A 105 -0.724 -6.544 0.958 1.00 0.00 H new ATOM 0 HB VAL A 105 1.147 -5.416 1.390 1.00 0.00 H new ATOM 0 HG11 VAL A 105 2.245 -5.213 3.594 1.00 0.00 H new ATOM 0 HG12 VAL A 105 0.530 -4.743 3.658 1.00 0.00 H new ATOM 0 HG13 VAL A 105 1.043 -6.326 4.288 1.00 0.00 H new ATOM 0 HG21 VAL A 105 3.025 -6.910 1.974 1.00 0.00 H new ATOM 0 HG22 VAL A 105 1.866 -8.119 2.578 1.00 0.00 H new ATOM 0 HG23 VAL A 105 1.880 -7.684 0.852 1.00 0.00 H new ATOM 1546 N ARG A 106 -0.088 -8.997 1.293 1.00 0.00 N ATOM 1547 CA ARG A 106 -0.136 -10.444 1.409 1.00 0.00 C ATOM 1548 C ARG A 106 1.158 -10.970 2.033 1.00 0.00 C ATOM 1549 O ARG A 106 2.228 -10.401 1.824 1.00 0.00 O ATOM 1550 CB ARG A 106 -0.338 -11.100 0.041 1.00 0.00 C ATOM 1551 CG ARG A 106 -0.561 -12.607 0.184 1.00 0.00 C ATOM 1552 CD ARG A 106 -0.680 -13.275 -1.188 1.00 0.00 C ATOM 1553 NE ARG A 106 -0.620 -14.746 -1.041 1.00 0.00 N ATOM 1554 CZ ARG A 106 -0.971 -15.612 -2.002 1.00 0.00 C ATOM 1555 NH1 ARG A 106 -1.408 -15.160 -3.185 1.00 0.00 N ATOM 1556 NH2 ARG A 106 -0.884 -16.931 -1.780 1.00 0.00 N ATOM 0 H ARG A 106 0.324 -8.652 0.426 1.00 0.00 H new ATOM 0 HA ARG A 106 -0.981 -10.697 2.049 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -1.194 -10.648 -0.460 1.00 0.00 H new ATOM 0 HB3 ARG A 106 0.533 -10.916 -0.587 1.00 0.00 H new ATOM 0 HG2 ARG A 106 0.267 -13.050 0.738 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -1.466 -12.791 0.762 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -1.618 -12.987 -1.662 1.00 0.00 H new ATOM 0 HD3 ARG A 106 0.124 -12.933 -1.839 1.00 0.00 H new ATOM 0 HE ARG A 106 -0.291 -15.125 -0.153 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -1.474 -14.156 -3.355 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -1.675 -15.819 -3.916 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -0.551 -17.276 -0.880 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -1.151 -17.590 -2.511 1.00 0.00 H new ATOM 1570 N LEU A 107 1.016 -12.050 2.787 1.00 0.00 N ATOM 1571 CA LEU A 107 2.161 -12.659 3.444 1.00 0.00 C ATOM 1572 C LEU A 107 3.020 -13.377 2.401 1.00 0.00 C ATOM 1573 O LEU A 107 4.029 -12.841 1.948 1.00 0.00 O ATOM 1574 CB LEU A 107 1.703 -13.563 4.589 1.00 0.00 C ATOM 1575 CG LEU A 107 1.539 -12.887 5.952 1.00 0.00 C ATOM 1576 CD1 LEU A 107 0.927 -13.851 6.972 1.00 0.00 C ATOM 1577 CD2 LEU A 107 2.867 -12.304 6.439 1.00 0.00 C ATOM 0 H LEU A 107 0.126 -12.519 2.958 1.00 0.00 H new ATOM 0 HA LEU A 107 2.788 -11.894 3.903 1.00 0.00 H new ATOM 0 HB2 LEU A 107 0.750 -14.013 4.312 1.00 0.00 H new ATOM 0 HB3 LEU A 107 2.421 -14.376 4.693 1.00 0.00 H new ATOM 0 HG LEU A 107 0.845 -12.054 5.839 1.00 0.00 H new ATOM 0 HD11 LEU A 107 0.821 -13.346 7.932 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -0.053 -14.176 6.623 1.00 0.00 H new ATOM 0 HD13 LEU A 107 1.577 -14.718 7.088 1.00 0.00 H new ATOM 0 HD21 LEU A 107 2.722 -11.830 7.410 1.00 0.00 H new ATOM 0 HD22 LEU A 107 3.603 -13.103 6.532 1.00 0.00 H new ATOM 0 HD23 LEU A 107 3.224 -11.564 5.723 1.00 0.00 H new ATOM 1589 N ASP A 108 2.586 -14.579 2.049 1.00 0.00 N ATOM 1590 CA ASP A 108 3.302 -15.375 1.067 1.00 0.00 C ATOM 1591 C ASP A 108 3.160 -14.727 -0.311 1.00 0.00 C ATOM 1592 O ASP A 108 2.180 -14.964 -1.015 1.00 0.00 O ATOM 1593 CB ASP A 108 2.730 -16.792 0.984 1.00 0.00 C ATOM 1594 CG ASP A 108 3.760 -17.914 1.127 1.00 0.00 C ATOM 1595 OD1 ASP A 108 4.900 -17.701 0.662 1.00 0.00 O ATOM 1596 OD2 ASP A 108 3.383 -18.961 1.698 1.00 0.00 O ATOM 0 H ASP A 108 1.748 -15.020 2.427 1.00 0.00 H new ATOM 0 HA ASP A 108 4.347 -15.425 1.371 1.00 0.00 H new ATOM 0 HB2 ASP A 108 1.976 -16.910 1.763 1.00 0.00 H new ATOM 0 HB3 ASP A 108 2.221 -16.907 0.027 1.00 0.00 H new ATOM 1601 N LEU A 109 4.153 -13.920 -0.656 1.00 0.00 N ATOM 1602 CA LEU A 109 4.151 -13.235 -1.937 1.00 0.00 C ATOM 1603 C LEU A 109 5.440 -12.424 -2.079 1.00 0.00 C ATOM 1604 O LEU A 109 5.869 -11.764 -1.134 1.00 0.00 O ATOM 1605 CB LEU A 109 2.878 -12.401 -2.097 1.00 0.00 C ATOM 1606 CG LEU A 109 2.247 -12.401 -3.490 1.00 0.00 C ATOM 1607 CD1 LEU A 109 3.242 -11.912 -4.544 1.00 0.00 C ATOM 1608 CD2 LEU A 109 1.679 -13.780 -3.834 1.00 0.00 C ATOM 0 H LEU A 109 4.965 -13.725 -0.070 1.00 0.00 H new ATOM 0 HA LEU A 109 4.136 -13.956 -2.754 1.00 0.00 H new ATOM 0 HB2 LEU A 109 2.137 -12.764 -1.384 1.00 0.00 H new ATOM 0 HB3 LEU A 109 3.105 -11.371 -1.823 1.00 0.00 H new ATOM 0 HG LEU A 109 1.412 -11.700 -3.487 1.00 0.00 H new ATOM 0 HD11 LEU A 109 2.767 -11.922 -5.525 1.00 0.00 H new ATOM 0 HD12 LEU A 109 3.557 -10.896 -4.304 1.00 0.00 H new ATOM 0 HD13 LEU A 109 4.112 -12.568 -4.555 1.00 0.00 H new ATOM 0 HD21 LEU A 109 1.236 -13.753 -4.830 1.00 0.00 H new ATOM 0 HD22 LEU A 109 2.480 -14.519 -3.813 1.00 0.00 H new ATOM 0 HD23 LEU A 109 0.916 -14.051 -3.105 1.00 0.00 H new ATOM 1620 N ASN A 110 6.022 -12.500 -3.267 1.00 0.00 N ATOM 1621 CA ASN A 110 7.253 -11.781 -3.545 1.00 0.00 C ATOM 1622 C ASN A 110 7.298 -11.408 -5.028 1.00 0.00 C ATOM 1623 O ASN A 110 7.235 -12.280 -5.894 1.00 0.00 O ATOM 1624 CB ASN A 110 8.477 -12.646 -3.239 1.00 0.00 C ATOM 1625 CG ASN A 110 8.490 -13.906 -4.108 1.00 0.00 C ATOM 1626 OD1 ASN A 110 7.656 -14.786 -3.983 1.00 0.00 O ATOM 1627 ND2 ASN A 110 9.482 -13.941 -4.993 1.00 0.00 N ATOM 0 H ASN A 110 5.663 -13.049 -4.048 1.00 0.00 H new ATOM 0 HA ASN A 110 7.273 -10.891 -2.915 1.00 0.00 H new ATOM 0 HB2 ASN A 110 9.386 -12.070 -3.413 1.00 0.00 H new ATOM 0 HB3 ASN A 110 8.474 -12.926 -2.186 1.00 0.00 H new ATOM 0 HD21 ASN A 110 9.578 -14.740 -5.620 1.00 0.00 H new ATOM 0 HD22 ASN A 110 10.147 -13.169 -5.045 1.00 0.00 H new ATOM 1634 N MET A 111 7.406 -10.111 -5.276 1.00 0.00 N ATOM 1635 CA MET A 111 7.459 -9.612 -6.640 1.00 0.00 C ATOM 1636 C MET A 111 8.906 -9.462 -7.113 1.00 0.00 C ATOM 1637 O MET A 111 9.293 -10.037 -8.130 1.00 0.00 O ATOM 1638 CB MET A 111 6.755 -8.255 -6.715 1.00 0.00 C ATOM 1639 CG MET A 111 5.239 -8.430 -6.819 1.00 0.00 C ATOM 1640 SD MET A 111 4.541 -7.122 -7.814 1.00 0.00 S ATOM 1641 CE MET A 111 2.802 -7.461 -7.595 1.00 0.00 C ATOM 0 H MET A 111 7.458 -9.391 -4.556 1.00 0.00 H new ATOM 0 HA MET A 111 6.956 -10.329 -7.289 1.00 0.00 H new ATOM 0 HB2 MET A 111 6.997 -7.666 -5.830 1.00 0.00 H new ATOM 0 HB3 MET A 111 7.121 -7.699 -7.578 1.00 0.00 H new ATOM 0 HG2 MET A 111 5.006 -9.399 -7.261 1.00 0.00 H new ATOM 0 HG3 MET A 111 4.794 -8.418 -5.824 1.00 0.00 H new ATOM 0 HE1 MET A 111 2.223 -6.864 -8.300 1.00 0.00 H new ATOM 0 HE2 MET A 111 2.612 -8.519 -7.775 1.00 0.00 H new ATOM 0 HE3 MET A 111 2.507 -7.207 -6.577 1.00 0.00 H new ATOM 1651 N SER A 112 9.667 -8.689 -6.352 1.00 0.00 N ATOM 1652 CA SER A 112 11.064 -8.457 -6.681 1.00 0.00 C ATOM 1653 C SER A 112 11.173 -7.775 -8.046 1.00 0.00 C ATOM 1654 O SER A 112 11.292 -8.445 -9.071 1.00 0.00 O ATOM 1655 CB SER A 112 11.855 -9.766 -6.677 1.00 0.00 C ATOM 1656 OG SER A 112 13.153 -9.604 -6.113 1.00 0.00 O ATOM 0 H SER A 112 9.343 -8.215 -5.509 1.00 0.00 H new ATOM 0 HA SER A 112 11.491 -7.804 -5.920 1.00 0.00 H new ATOM 0 HB2 SER A 112 11.306 -10.520 -6.112 1.00 0.00 H new ATOM 0 HB3 SER A 112 11.947 -10.137 -7.698 1.00 0.00 H new ATOM 0 HG SER A 112 13.625 -10.463 -6.127 1.00 0.00 H new ATOM 1662 N GLY A 113 11.129 -6.451 -8.016 1.00 0.00 N ATOM 1663 CA GLY A 113 11.223 -5.671 -9.238 1.00 0.00 C ATOM 1664 C GLY A 113 12.622 -5.073 -9.401 1.00 0.00 C ATOM 1665 O GLY A 113 13.353 -4.920 -8.424 1.00 0.00 O ATOM 0 H GLY A 113 11.029 -5.899 -7.164 1.00 0.00 H new ATOM 0 HA2 GLY A 113 10.992 -6.303 -10.096 1.00 0.00 H new ATOM 0 HA3 GLY A 113 10.482 -4.872 -9.221 1.00 0.00 H new ATOM 1669 N PRO A 114 12.961 -4.743 -10.676 1.00 0.00 N ATOM 1670 CA PRO A 114 14.258 -4.164 -10.980 1.00 0.00 C ATOM 1671 C PRO A 114 14.321 -2.699 -10.547 1.00 0.00 C ATOM 1672 O PRO A 114 14.421 -1.803 -11.385 1.00 0.00 O ATOM 1673 CB PRO A 114 14.430 -4.349 -12.479 1.00 0.00 C ATOM 1674 CG PRO A 114 13.036 -4.598 -13.031 1.00 0.00 C ATOM 1675 CD PRO A 114 12.119 -4.909 -11.858 1.00 0.00 C ATOM 0 HA PRO A 114 15.071 -4.646 -10.437 1.00 0.00 H new ATOM 0 HB2 PRO A 114 14.878 -3.465 -12.933 1.00 0.00 H new ATOM 0 HB3 PRO A 114 15.091 -5.188 -12.696 1.00 0.00 H new ATOM 0 HG2 PRO A 114 12.678 -3.723 -13.574 1.00 0.00 H new ATOM 0 HG3 PRO A 114 13.048 -5.428 -13.737 1.00 0.00 H new ATOM 0 HD2 PRO A 114 11.264 -4.233 -11.833 1.00 0.00 H new ATOM 0 HD3 PRO A 114 11.723 -5.922 -11.923 1.00 0.00 H new ATOM 1683 N SER A 115 14.261 -2.499 -9.238 1.00 0.00 N ATOM 1684 CA SER A 115 14.310 -1.156 -8.684 1.00 0.00 C ATOM 1685 C SER A 115 15.733 -0.831 -8.226 1.00 0.00 C ATOM 1686 O SER A 115 16.252 -1.462 -7.307 1.00 0.00 O ATOM 1687 CB SER A 115 13.330 -1.006 -7.519 1.00 0.00 C ATOM 1688 OG SER A 115 13.034 0.360 -7.242 1.00 0.00 O ATOM 0 H SER A 115 14.179 -3.244 -8.546 1.00 0.00 H new ATOM 0 HA SER A 115 14.017 -0.453 -9.463 1.00 0.00 H new ATOM 0 HB2 SER A 115 12.407 -1.537 -7.751 1.00 0.00 H new ATOM 0 HB3 SER A 115 13.751 -1.473 -6.629 1.00 0.00 H new ATOM 0 HG SER A 115 12.404 0.413 -6.493 1.00 0.00 H new ATOM 1694 N SER A 116 16.323 0.154 -8.888 1.00 0.00 N ATOM 1695 CA SER A 116 17.675 0.571 -8.561 1.00 0.00 C ATOM 1696 C SER A 116 17.643 1.646 -7.473 1.00 0.00 C ATOM 1697 O SER A 116 18.203 1.460 -6.394 1.00 0.00 O ATOM 1698 CB SER A 116 18.407 1.090 -9.800 1.00 0.00 C ATOM 1699 OG SER A 116 19.543 0.294 -10.124 1.00 0.00 O ATOM 0 H SER A 116 15.889 0.675 -9.650 1.00 0.00 H new ATOM 0 HA SER A 116 18.219 -0.297 -8.189 1.00 0.00 H new ATOM 0 HB2 SER A 116 17.721 1.103 -10.647 1.00 0.00 H new ATOM 0 HB3 SER A 116 18.723 2.119 -9.629 1.00 0.00 H new ATOM 0 HG SER A 116 19.981 0.658 -10.922 1.00 0.00 H new ATOM 1705 N GLY A 117 16.981 2.747 -7.794 1.00 0.00 N ATOM 1706 CA GLY A 117 16.868 3.853 -6.858 1.00 0.00 C ATOM 1707 C GLY A 117 15.419 4.040 -6.403 1.00 0.00 C ATOM 1708 O GLY A 117 14.491 3.901 -7.199 1.00 0.00 O ATOM 0 H GLY A 117 16.517 2.897 -8.690 1.00 0.00 H new ATOM 0 HA2 GLY A 117 17.504 3.668 -5.992 1.00 0.00 H new ATOM 0 HA3 GLY A 117 17.227 4.769 -7.327 1.00 0.00 H new TER 1712 GLY A 117