USER MOD reduce.3.24.130724 H: found=0, std=0, add=1017, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 1017 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 100 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 102 THR OG1 : rot 180:sc= 0 USER MOD Set 1.3: A 111 ASN : amide:sc= 0 X(o=0,f=0.21) USER MOD Set 1.4: A 113 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 81 THR OG1 : rot -98:sc= 1.2 USER MOD Set 2.2: A 93 THR OG1 : rot 66:sc= 1.06 USER MOD Set 3.1: A 51 THR OG1 : rot -122:sc= 0.0434 USER MOD Set 3.2: A 60 GLN : amide:sc= 0.0437 X(o=0.087,f=-0.042) USER MOD Set 4.1: A 47 HIS : no HD1:sc= 0.00737 X(o=0.013,f=0) USER MOD Set 4.2: A 64 THR OG1 : rot -111:sc= 0.00599 USER MOD Single : A 2 SER OG : rot 28:sc= 0.0106 USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 TYR OH : rot 165:sc= 0 USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=-0.031) USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=-0.05) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -0.0459 K(o=-0.046,f=-0.95) USER MOD Single : A 14 ASN : amide:sc= -0.0196 X(o=-0.02,f=-0.16) USER MOD Single : A 19 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 161:sc= -0.106 (180deg=-0.569) USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 156:sc= 0 (180deg=-0.568) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=-0.031) USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot -51:sc= 0.386 USER MOD Single : A 56 SER OG : rot 170:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 ASN : amide:sc= 0.242 K(o=0.24,f=-0.72) USER MOD Single : A 69 CYS SG : rot -30:sc= -0.922 USER MOD Single : A 73 THR OG1 : rot 180:sc=-0.00557 USER MOD Single : A 74 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot -1:sc= 0.414 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=-0.033) USER MOD Single : A 89 ASN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 110 THR OG1 : rot 180:sc= 0 USER MOD Single : A 112 THR OG1 : rot 180:sc= 0 USER MOD Single : A 114 THR OG1 : rot 180:sc= 0 USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 125 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 2 12.104 -9.299 -4.246 1.00 0.00 N ATOM 2 CA SER A 2 11.755 -9.927 -2.964 1.00 0.00 C ATOM 3 C SER A 2 10.720 -9.039 -2.234 1.00 0.00 C ATOM 4 O SER A 2 11.062 -7.976 -1.705 1.00 0.00 O ATOM 5 CB SER A 2 13.018 -10.166 -2.106 1.00 0.00 C ATOM 6 OG SER A 2 13.904 -11.088 -2.733 1.00 0.00 O ATOM 0 HA SER A 2 11.309 -10.906 -3.143 1.00 0.00 H new ATOM 0 HB2 SER A 2 13.532 -9.219 -1.941 1.00 0.00 H new ATOM 0 HB3 SER A 2 12.728 -10.546 -1.126 1.00 0.00 H new ATOM 0 HG SER A 2 13.786 -11.046 -3.705 1.00 0.00 H new ATOM 12 N PHE A 3 9.450 -9.487 -2.203 1.00 0.00 N ATOM 13 CA PHE A 3 8.330 -8.711 -1.589 1.00 0.00 C ATOM 14 C PHE A 3 8.342 -8.533 -0.038 1.00 0.00 C ATOM 15 O PHE A 3 7.679 -7.606 0.435 1.00 0.00 O ATOM 16 CB PHE A 3 6.960 -9.282 -2.055 1.00 0.00 C ATOM 17 CG PHE A 3 6.555 -8.947 -3.501 1.00 0.00 C ATOM 18 CD1 PHE A 3 5.885 -7.751 -3.780 1.00 0.00 C ATOM 19 CD2 PHE A 3 6.844 -9.833 -4.545 1.00 0.00 C ATOM 20 CE1 PHE A 3 5.519 -7.442 -5.087 1.00 0.00 C ATOM 21 CE2 PHE A 3 6.476 -9.518 -5.851 1.00 0.00 C ATOM 22 CZ PHE A 3 5.814 -8.323 -6.120 1.00 0.00 C ATOM 0 H PHE A 3 9.163 -10.384 -2.595 1.00 0.00 H new ATOM 0 HA PHE A 3 8.492 -7.699 -1.960 1.00 0.00 H new ATOM 0 HB2 PHE A 3 6.983 -10.366 -1.945 1.00 0.00 H new ATOM 0 HB3 PHE A 3 6.185 -8.910 -1.385 1.00 0.00 H new ATOM 0 HD1 PHE A 3 5.651 -7.065 -2.979 1.00 0.00 H new ATOM 0 HD2 PHE A 3 7.353 -10.763 -4.338 1.00 0.00 H new ATOM 0 HE1 PHE A 3 5.005 -6.516 -5.298 1.00 0.00 H new ATOM 0 HE2 PHE A 3 6.704 -10.201 -6.656 1.00 0.00 H new ATOM 0 HZ PHE A 3 5.529 -8.081 -7.133 1.00 0.00 H new ATOM 32 N SER A 4 9.085 -9.341 0.752 1.00 0.00 N ATOM 33 CA SER A 4 9.255 -9.110 2.212 1.00 0.00 C ATOM 34 C SER A 4 10.143 -7.854 2.471 1.00 0.00 C ATOM 35 O SER A 4 11.344 -7.858 2.176 1.00 0.00 O ATOM 36 CB SER A 4 9.841 -10.367 2.891 1.00 0.00 C ATOM 37 OG SER A 4 8.957 -11.478 2.779 1.00 0.00 O ATOM 0 H SER A 4 9.580 -10.163 0.405 1.00 0.00 H new ATOM 0 HA SER A 4 8.277 -8.918 2.652 1.00 0.00 H new ATOM 0 HB2 SER A 4 10.799 -10.615 2.435 1.00 0.00 H new ATOM 0 HB3 SER A 4 10.033 -10.158 3.943 1.00 0.00 H new ATOM 0 HG SER A 4 9.356 -12.259 3.217 1.00 0.00 H new ATOM 43 N GLY A 5 9.519 -6.776 2.974 1.00 0.00 N ATOM 44 CA GLY A 5 10.196 -5.471 3.129 1.00 0.00 C ATOM 45 C GLY A 5 9.258 -4.330 3.574 1.00 0.00 C ATOM 46 O GLY A 5 8.042 -4.352 3.347 1.00 0.00 O ATOM 0 H GLY A 5 8.546 -6.779 3.281 1.00 0.00 H new ATOM 0 HA2 GLY A 5 10.999 -5.574 3.859 1.00 0.00 H new ATOM 0 HA3 GLY A 5 10.660 -5.198 2.181 1.00 0.00 H new ATOM 50 N LYS A 6 9.877 -3.303 4.179 1.00 0.00 N ATOM 51 CA LYS A 6 9.179 -2.067 4.625 1.00 0.00 C ATOM 52 C LYS A 6 9.527 -0.949 3.608 1.00 0.00 C ATOM 53 O LYS A 6 10.690 -0.556 3.490 1.00 0.00 O ATOM 54 CB LYS A 6 9.601 -1.656 6.064 1.00 0.00 C ATOM 55 CG LYS A 6 9.115 -2.566 7.218 1.00 0.00 C ATOM 56 CD LYS A 6 10.021 -3.779 7.530 1.00 0.00 C ATOM 57 CE LYS A 6 9.567 -4.628 8.733 1.00 0.00 C ATOM 58 NZ LYS A 6 9.751 -3.949 10.031 1.00 0.00 N ATOM 0 H LYS A 6 10.878 -3.298 4.377 1.00 0.00 H new ATOM 0 HA LYS A 6 8.103 -2.239 4.658 1.00 0.00 H new ATOM 0 HB2 LYS A 6 10.690 -1.613 6.100 1.00 0.00 H new ATOM 0 HB3 LYS A 6 9.236 -0.646 6.250 1.00 0.00 H new ATOM 0 HG2 LYS A 6 9.022 -1.962 8.120 1.00 0.00 H new ATOM 0 HG3 LYS A 6 8.117 -2.932 6.975 1.00 0.00 H new ATOM 0 HD2 LYS A 6 10.066 -4.418 6.648 1.00 0.00 H new ATOM 0 HD3 LYS A 6 11.033 -3.421 7.717 1.00 0.00 H new ATOM 0 HE2 LYS A 6 8.515 -4.884 8.611 1.00 0.00 H new ATOM 0 HE3 LYS A 6 10.125 -5.565 8.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 9.427 -4.572 10.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 10.758 -3.727 10.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 9.198 -3.068 10.044 1.00 0.00 H new ATOM 72 N TYR A 7 8.525 -0.465 2.856 1.00 0.00 N ATOM 73 CA TYR A 7 8.762 0.397 1.665 1.00 0.00 C ATOM 74 C TYR A 7 8.226 1.817 1.978 1.00 0.00 C ATOM 75 O TYR A 7 7.022 2.068 1.859 1.00 0.00 O ATOM 76 CB TYR A 7 8.100 -0.206 0.391 1.00 0.00 C ATOM 77 CG TYR A 7 8.585 -1.604 -0.042 1.00 0.00 C ATOM 78 CD1 TYR A 7 9.696 -1.750 -0.879 1.00 0.00 C ATOM 79 CD2 TYR A 7 7.888 -2.745 0.379 1.00 0.00 C ATOM 80 CE1 TYR A 7 10.091 -3.016 -1.305 1.00 0.00 C ATOM 81 CE2 TYR A 7 8.302 -4.011 -0.030 1.00 0.00 C ATOM 82 CZ TYR A 7 9.399 -4.145 -0.871 1.00 0.00 C ATOM 83 OH TYR A 7 9.802 -5.394 -1.263 1.00 0.00 O ATOM 0 H TYR A 7 7.540 -0.651 3.044 1.00 0.00 H new ATOM 0 HA TYR A 7 9.830 0.454 1.454 1.00 0.00 H new ATOM 0 HB2 TYR A 7 7.024 -0.255 0.557 1.00 0.00 H new ATOM 0 HB3 TYR A 7 8.264 0.483 -0.437 1.00 0.00 H new ATOM 0 HD1 TYR A 7 10.249 -0.878 -1.196 1.00 0.00 H new ATOM 0 HD2 TYR A 7 7.027 -2.642 1.023 1.00 0.00 H new ATOM 0 HE1 TYR A 7 10.934 -3.123 -1.972 1.00 0.00 H new ATOM 0 HE2 TYR A 7 7.770 -4.888 0.307 1.00 0.00 H new ATOM 0 HH TYR A 7 9.376 -6.069 -0.694 1.00 0.00 H new ATOM 93 N GLN A 8 9.120 2.741 2.384 1.00 0.00 N ATOM 94 CA GLN A 8 8.715 4.113 2.797 1.00 0.00 C ATOM 95 C GLN A 8 8.765 5.094 1.594 1.00 0.00 C ATOM 96 O GLN A 8 9.692 5.069 0.780 1.00 0.00 O ATOM 97 CB GLN A 8 9.548 4.584 4.016 1.00 0.00 C ATOM 98 CG GLN A 8 9.039 5.910 4.633 1.00 0.00 C ATOM 99 CD GLN A 8 9.651 6.299 5.987 1.00 0.00 C ATOM 100 OE1 GLN A 8 10.807 6.012 6.300 1.00 0.00 O ATOM 101 NE2 GLN A 8 8.878 6.992 6.807 1.00 0.00 N ATOM 0 H GLN A 8 10.124 2.570 2.437 1.00 0.00 H new ATOM 0 HA GLN A 8 7.676 4.096 3.125 1.00 0.00 H new ATOM 0 HB2 GLN A 8 9.532 3.807 4.780 1.00 0.00 H new ATOM 0 HB3 GLN A 8 10.587 4.709 3.710 1.00 0.00 H new ATOM 0 HG2 GLN A 8 9.232 6.715 3.924 1.00 0.00 H new ATOM 0 HG3 GLN A 8 7.958 5.842 4.751 1.00 0.00 H new ATOM 0 HE21 GLN A 8 7.923 7.222 6.534 1.00 0.00 H new ATOM 0 HE22 GLN A 8 9.238 7.296 7.712 1.00 0.00 H new ATOM 110 N LEU A 9 7.736 5.959 1.515 1.00 0.00 N ATOM 111 CA LEU A 9 7.451 6.781 0.313 1.00 0.00 C ATOM 112 C LEU A 9 8.442 7.965 0.154 1.00 0.00 C ATOM 113 O LEU A 9 8.634 8.778 1.063 1.00 0.00 O ATOM 114 CB LEU A 9 5.967 7.240 0.369 1.00 0.00 C ATOM 115 CG LEU A 9 5.407 7.987 -0.875 1.00 0.00 C ATOM 116 CD1 LEU A 9 5.494 7.173 -2.180 1.00 0.00 C ATOM 117 CD2 LEU A 9 3.948 8.407 -0.622 1.00 0.00 C ATOM 0 H LEU A 9 7.077 6.111 2.279 1.00 0.00 H new ATOM 0 HA LEU A 9 7.600 6.175 -0.581 1.00 0.00 H new ATOM 0 HB2 LEU A 9 5.347 6.360 0.542 1.00 0.00 H new ATOM 0 HB3 LEU A 9 5.847 7.890 1.236 1.00 0.00 H new ATOM 0 HG LEU A 9 6.040 8.863 -1.014 1.00 0.00 H new ATOM 0 HD11 LEU A 9 5.085 7.759 -3.003 1.00 0.00 H new ATOM 0 HD12 LEU A 9 6.536 6.932 -2.390 1.00 0.00 H new ATOM 0 HD13 LEU A 9 4.923 6.251 -2.072 1.00 0.00 H new ATOM 0 HD21 LEU A 9 3.563 8.930 -1.498 1.00 0.00 H new ATOM 0 HD22 LEU A 9 3.342 7.521 -0.432 1.00 0.00 H new ATOM 0 HD23 LEU A 9 3.905 9.068 0.243 1.00 0.00 H new ATOM 129 N GLN A 10 9.051 8.027 -1.036 1.00 0.00 N ATOM 130 CA GLN A 10 10.100 9.021 -1.378 1.00 0.00 C ATOM 131 C GLN A 10 9.504 10.116 -2.306 1.00 0.00 C ATOM 132 O GLN A 10 9.429 11.279 -1.898 1.00 0.00 O ATOM 133 CB GLN A 10 11.339 8.311 -1.992 1.00 0.00 C ATOM 134 CG GLN A 10 11.971 7.178 -1.156 1.00 0.00 C ATOM 135 CD GLN A 10 12.670 7.636 0.139 1.00 0.00 C ATOM 136 OE1 GLN A 10 13.747 8.233 0.110 1.00 0.00 O ATOM 137 NE2 GLN A 10 12.082 7.369 1.296 1.00 0.00 N ATOM 0 H GLN A 10 8.835 7.388 -1.801 1.00 0.00 H new ATOM 0 HA GLN A 10 10.447 9.521 -0.474 1.00 0.00 H new ATOM 0 HB2 GLN A 10 11.051 7.900 -2.960 1.00 0.00 H new ATOM 0 HB3 GLN A 10 12.105 9.064 -2.180 1.00 0.00 H new ATOM 0 HG2 GLN A 10 11.192 6.461 -0.897 1.00 0.00 H new ATOM 0 HG3 GLN A 10 12.696 6.651 -1.776 1.00 0.00 H new ATOM 0 HE21 GLN A 10 11.190 6.874 1.313 1.00 0.00 H new ATOM 0 HE22 GLN A 10 12.521 7.658 2.170 1.00 0.00 H new ATOM 146 N SER A 11 9.083 9.735 -3.530 1.00 0.00 N ATOM 147 CA SER A 11 8.446 10.659 -4.508 1.00 0.00 C ATOM 148 C SER A 11 7.121 10.040 -5.032 1.00 0.00 C ATOM 149 O SER A 11 7.045 8.836 -5.297 1.00 0.00 O ATOM 150 CB SER A 11 9.414 10.957 -5.676 1.00 0.00 C ATOM 151 OG SER A 11 10.555 11.676 -5.219 1.00 0.00 O ATOM 0 H SER A 11 9.172 8.779 -3.874 1.00 0.00 H new ATOM 0 HA SER A 11 8.217 11.602 -4.011 1.00 0.00 H new ATOM 0 HB2 SER A 11 9.730 10.022 -6.140 1.00 0.00 H new ATOM 0 HB3 SER A 11 8.898 11.535 -6.443 1.00 0.00 H new ATOM 0 HG SER A 11 11.155 11.852 -5.974 1.00 0.00 H new ATOM 157 N GLN A 12 6.088 10.889 -5.197 1.00 0.00 N ATOM 158 CA GLN A 12 4.768 10.474 -5.747 1.00 0.00 C ATOM 159 C GLN A 12 4.374 11.356 -6.962 1.00 0.00 C ATOM 160 O GLN A 12 4.378 12.592 -6.915 1.00 0.00 O ATOM 161 CB GLN A 12 3.640 10.418 -4.682 1.00 0.00 C ATOM 162 CG GLN A 12 3.318 11.708 -3.893 1.00 0.00 C ATOM 163 CD GLN A 12 2.423 11.482 -2.658 1.00 0.00 C ATOM 164 OE1 GLN A 12 1.786 10.444 -2.480 1.00 0.00 O ATOM 165 NE2 GLN A 12 2.334 12.462 -1.776 1.00 0.00 N ATOM 0 H GLN A 12 6.137 11.879 -4.956 1.00 0.00 H new ATOM 0 HA GLN A 12 4.887 9.447 -6.092 1.00 0.00 H new ATOM 0 HB2 GLN A 12 2.726 10.096 -5.181 1.00 0.00 H new ATOM 0 HB3 GLN A 12 3.900 9.643 -3.961 1.00 0.00 H new ATOM 0 HG2 GLN A 12 4.253 12.168 -3.572 1.00 0.00 H new ATOM 0 HG3 GLN A 12 2.827 12.416 -4.560 1.00 0.00 H new ATOM 0 HE21 GLN A 12 2.859 13.325 -1.918 1.00 0.00 H new ATOM 0 HE22 GLN A 12 1.740 12.356 -0.954 1.00 0.00 H new ATOM 174 N GLU A 13 3.984 10.653 -8.029 1.00 0.00 N ATOM 175 CA GLU A 13 3.328 11.231 -9.227 1.00 0.00 C ATOM 176 C GLU A 13 1.803 10.980 -9.082 1.00 0.00 C ATOM 177 O GLU A 13 1.375 9.841 -8.876 1.00 0.00 O ATOM 178 CB GLU A 13 3.913 10.510 -10.474 1.00 0.00 C ATOM 179 CG GLU A 13 3.375 10.979 -11.844 1.00 0.00 C ATOM 180 CD GLU A 13 3.867 10.094 -12.993 1.00 0.00 C ATOM 181 OE1 GLU A 13 3.285 9.007 -13.210 1.00 0.00 O ATOM 182 OE2 GLU A 13 4.837 10.480 -13.683 1.00 0.00 O ATOM 0 H GLU A 13 4.114 9.643 -8.095 1.00 0.00 H new ATOM 0 HA GLU A 13 3.501 12.302 -9.332 1.00 0.00 H new ATOM 0 HB2 GLU A 13 4.995 10.638 -10.468 1.00 0.00 H new ATOM 0 HB3 GLU A 13 3.718 9.442 -10.376 1.00 0.00 H new ATOM 0 HG2 GLU A 13 2.285 10.974 -11.825 1.00 0.00 H new ATOM 0 HG3 GLU A 13 3.686 12.008 -12.022 1.00 0.00 H new ATOM 189 N ASN A 14 0.990 12.041 -9.244 1.00 0.00 N ATOM 190 CA ASN A 14 -0.501 11.939 -9.332 1.00 0.00 C ATOM 191 C ASN A 14 -1.252 11.484 -8.030 1.00 0.00 C ATOM 192 O ASN A 14 -2.249 10.761 -8.107 1.00 0.00 O ATOM 193 CB ASN A 14 -0.943 11.166 -10.622 1.00 0.00 C ATOM 194 CG ASN A 14 -0.686 11.849 -11.985 1.00 0.00 C ATOM 195 OD1 ASN A 14 -0.207 12.979 -12.085 1.00 0.00 O ATOM 196 ND2 ASN A 14 -1.004 11.163 -13.072 1.00 0.00 N ATOM 0 H ASN A 14 1.336 12.998 -9.319 1.00 0.00 H new ATOM 0 HA ASN A 14 -0.841 12.970 -9.426 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -0.435 10.202 -10.627 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -2.011 10.963 -10.543 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -0.852 11.570 -13.995 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -1.401 10.227 -12.987 1.00 0.00 H new ATOM 203 N PHE A 15 -0.834 11.971 -6.839 1.00 0.00 N ATOM 204 CA PHE A 15 -1.582 11.772 -5.564 1.00 0.00 C ATOM 205 C PHE A 15 -2.947 12.520 -5.513 1.00 0.00 C ATOM 206 O PHE A 15 -3.981 11.859 -5.409 1.00 0.00 O ATOM 207 CB PHE A 15 -0.629 12.121 -4.389 1.00 0.00 C ATOM 208 CG PHE A 15 -1.198 11.931 -2.970 1.00 0.00 C ATOM 209 CD1 PHE A 15 -1.325 10.653 -2.416 1.00 0.00 C ATOM 210 CD2 PHE A 15 -1.573 13.046 -2.213 1.00 0.00 C ATOM 211 CE1 PHE A 15 -1.794 10.493 -1.115 1.00 0.00 C ATOM 212 CE2 PHE A 15 -2.051 12.880 -0.918 1.00 0.00 C ATOM 213 CZ PHE A 15 -2.159 11.608 -0.366 1.00 0.00 C ATOM 0 H PHE A 15 0.025 12.510 -6.729 1.00 0.00 H new ATOM 0 HA PHE A 15 -1.880 10.727 -5.483 1.00 0.00 H new ATOM 0 HB2 PHE A 15 0.268 11.509 -4.483 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -0.319 13.160 -4.497 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -1.058 9.785 -3.001 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -1.491 14.037 -2.635 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -1.875 9.505 -0.687 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -2.340 13.744 -0.337 1.00 0.00 H new ATOM 0 HZ PHE A 15 -2.526 11.486 0.642 1.00 0.00 H new ATOM 223 N GLU A 16 -2.953 13.866 -5.574 1.00 0.00 N ATOM 224 CA GLU A 16 -4.200 14.686 -5.543 1.00 0.00 C ATOM 225 C GLU A 16 -5.243 14.443 -6.682 1.00 0.00 C ATOM 226 O GLU A 16 -6.446 14.484 -6.405 1.00 0.00 O ATOM 227 CB GLU A 16 -3.855 16.188 -5.350 1.00 0.00 C ATOM 228 CG GLU A 16 -2.919 16.842 -6.392 1.00 0.00 C ATOM 229 CD GLU A 16 -2.756 18.349 -6.174 1.00 0.00 C ATOM 230 OE1 GLU A 16 -1.993 18.751 -5.267 1.00 0.00 O ATOM 231 OE2 GLU A 16 -3.391 19.138 -6.908 1.00 0.00 O ATOM 0 H GLU A 16 -2.101 14.423 -5.646 1.00 0.00 H new ATOM 0 HA GLU A 16 -4.744 14.320 -4.672 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -4.789 16.749 -5.337 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -3.399 16.305 -4.367 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -1.940 16.364 -6.346 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -3.314 16.664 -7.392 1.00 0.00 H new ATOM 238 N ALA A 17 -4.801 14.140 -7.922 1.00 0.00 N ATOM 239 CA ALA A 17 -5.687 13.615 -8.999 1.00 0.00 C ATOM 240 C ALA A 17 -6.349 12.231 -8.707 1.00 0.00 C ATOM 241 O ALA A 17 -7.560 12.098 -8.900 1.00 0.00 O ATOM 242 CB ALA A 17 -4.884 13.582 -10.316 1.00 0.00 C ATOM 0 H ALA A 17 -3.828 14.249 -8.209 1.00 0.00 H new ATOM 0 HA ALA A 17 -6.535 14.296 -9.068 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -5.516 13.200 -11.118 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -4.551 14.590 -10.565 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -4.017 12.933 -10.197 1.00 0.00 H new ATOM 248 N PHE A 18 -5.578 11.229 -8.233 1.00 0.00 N ATOM 249 CA PHE A 18 -6.103 9.884 -7.856 1.00 0.00 C ATOM 250 C PHE A 18 -7.066 9.885 -6.627 1.00 0.00 C ATOM 251 O PHE A 18 -8.131 9.273 -6.711 1.00 0.00 O ATOM 252 CB PHE A 18 -4.886 8.932 -7.674 1.00 0.00 C ATOM 253 CG PHE A 18 -5.203 7.439 -7.470 1.00 0.00 C ATOM 254 CD1 PHE A 18 -5.341 6.582 -8.567 1.00 0.00 C ATOM 255 CD2 PHE A 18 -5.297 6.916 -6.175 1.00 0.00 C ATOM 256 CE1 PHE A 18 -5.560 5.220 -8.369 1.00 0.00 C ATOM 257 CE2 PHE A 18 -5.519 5.556 -5.982 1.00 0.00 C ATOM 258 CZ PHE A 18 -5.653 4.710 -7.077 1.00 0.00 C ATOM 0 H PHE A 18 -4.571 11.323 -8.098 1.00 0.00 H new ATOM 0 HA PHE A 18 -6.743 9.525 -8.662 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -4.245 9.027 -8.550 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -4.308 9.278 -6.817 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -5.278 6.977 -9.570 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -5.197 7.571 -5.322 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -5.658 4.560 -9.218 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -5.587 5.157 -4.981 1.00 0.00 H new ATOM 0 HZ PHE A 18 -5.830 3.655 -6.925 1.00 0.00 H new ATOM 268 N MET A 19 -6.695 10.558 -5.519 1.00 0.00 N ATOM 269 CA MET A 19 -7.539 10.706 -4.302 1.00 0.00 C ATOM 270 C MET A 19 -8.904 11.428 -4.539 1.00 0.00 C ATOM 271 O MET A 19 -9.926 10.907 -4.086 1.00 0.00 O ATOM 272 CB MET A 19 -6.692 11.373 -3.185 1.00 0.00 C ATOM 273 CG MET A 19 -5.748 10.432 -2.410 1.00 0.00 C ATOM 274 SD MET A 19 -4.593 9.558 -3.494 1.00 0.00 S ATOM 275 CE MET A 19 -4.299 8.049 -2.547 1.00 0.00 C ATOM 0 H MET A 19 -5.790 11.022 -5.437 1.00 0.00 H new ATOM 0 HA MET A 19 -7.840 9.707 -3.987 1.00 0.00 H new ATOM 0 HB2 MET A 19 -6.096 12.168 -3.632 1.00 0.00 H new ATOM 0 HB3 MET A 19 -7.370 11.845 -2.473 1.00 0.00 H new ATOM 0 HG2 MET A 19 -5.186 11.011 -1.677 1.00 0.00 H new ATOM 0 HG3 MET A 19 -6.341 9.705 -1.855 1.00 0.00 H new ATOM 0 HE1 MET A 19 -3.604 7.408 -3.090 1.00 0.00 H new ATOM 0 HE2 MET A 19 -3.874 8.305 -1.577 1.00 0.00 H new ATOM 0 HE3 MET A 19 -5.242 7.521 -2.402 1.00 0.00 H new ATOM 285 N LYS A 20 -8.949 12.555 -5.285 1.00 0.00 N ATOM 286 CA LYS A 20 -10.223 13.138 -5.810 1.00 0.00 C ATOM 287 C LYS A 20 -11.081 12.186 -6.702 1.00 0.00 C ATOM 288 O LYS A 20 -12.288 12.075 -6.466 1.00 0.00 O ATOM 289 CB LYS A 20 -9.939 14.457 -6.588 1.00 0.00 C ATOM 290 CG LYS A 20 -9.681 15.720 -5.741 1.00 0.00 C ATOM 291 CD LYS A 20 -10.953 16.277 -5.058 1.00 0.00 C ATOM 292 CE LYS A 20 -10.785 17.662 -4.411 1.00 0.00 C ATOM 293 NZ LYS A 20 -9.921 17.627 -3.221 1.00 0.00 N ATOM 0 H LYS A 20 -8.118 13.087 -5.543 1.00 0.00 H new ATOM 0 HA LYS A 20 -10.822 13.327 -4.919 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -9.072 14.294 -7.228 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -10.787 14.655 -7.244 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -8.939 15.489 -4.976 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -9.252 16.494 -6.378 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -11.751 16.332 -5.798 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -11.276 15.571 -4.293 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -10.363 18.352 -5.142 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -11.765 18.051 -4.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -9.578 18.586 -3.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -10.463 17.269 -2.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -9.110 17.001 -3.399 1.00 0.00 H new ATOM 307 N ALA A 21 -10.473 11.508 -7.699 1.00 0.00 N ATOM 308 CA ALA A 21 -11.181 10.531 -8.571 1.00 0.00 C ATOM 309 C ALA A 21 -11.786 9.258 -7.896 1.00 0.00 C ATOM 310 O ALA A 21 -12.758 8.714 -8.428 1.00 0.00 O ATOM 311 CB ALA A 21 -10.216 10.131 -9.700 1.00 0.00 C ATOM 0 H ALA A 21 -9.484 11.617 -7.926 1.00 0.00 H new ATOM 0 HA ALA A 21 -12.071 11.051 -8.924 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -10.705 9.414 -10.359 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -9.937 11.017 -10.271 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -9.322 9.679 -9.271 1.00 0.00 H new ATOM 317 N ILE A 22 -11.241 8.799 -6.750 1.00 0.00 N ATOM 318 CA ILE A 22 -11.803 7.662 -5.958 1.00 0.00 C ATOM 319 C ILE A 22 -12.863 8.144 -4.910 1.00 0.00 C ATOM 320 O ILE A 22 -13.952 7.564 -4.859 1.00 0.00 O ATOM 321 CB ILE A 22 -10.684 6.720 -5.378 1.00 0.00 C ATOM 322 CG1 ILE A 22 -9.766 7.386 -4.309 1.00 0.00 C ATOM 323 CG2 ILE A 22 -9.869 6.051 -6.513 1.00 0.00 C ATOM 324 CD1 ILE A 22 -8.610 6.550 -3.749 1.00 0.00 C ATOM 0 H ILE A 22 -10.398 9.200 -6.339 1.00 0.00 H new ATOM 0 HA ILE A 22 -12.359 7.026 -6.646 1.00 0.00 H new ATOM 0 HB ILE A 22 -11.215 5.940 -4.832 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -9.345 8.292 -4.745 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -10.393 7.695 -3.473 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -9.104 5.407 -6.080 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -10.535 5.455 -7.137 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -9.394 6.820 -7.122 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -8.057 7.138 -3.017 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -9.007 5.655 -3.270 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -7.943 6.261 -4.561 1.00 0.00 H new ATOM 336 N GLY A 23 -12.554 9.176 -4.097 1.00 0.00 N ATOM 337 CA GLY A 23 -13.501 9.766 -3.128 1.00 0.00 C ATOM 338 C GLY A 23 -12.820 10.154 -1.803 1.00 0.00 C ATOM 339 O GLY A 23 -13.038 9.480 -0.792 1.00 0.00 O ATOM 0 H GLY A 23 -11.638 9.625 -4.094 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -13.963 10.650 -3.568 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -14.302 9.054 -2.927 1.00 0.00 H new ATOM 343 N LEU A 24 -12.028 11.247 -1.810 1.00 0.00 N ATOM 344 CA LEU A 24 -11.368 11.786 -0.592 1.00 0.00 C ATOM 345 C LEU A 24 -11.499 13.347 -0.475 1.00 0.00 C ATOM 346 O LEU A 24 -11.577 14.027 -1.506 1.00 0.00 O ATOM 347 CB LEU A 24 -9.868 11.365 -0.562 1.00 0.00 C ATOM 348 CG LEU A 24 -9.563 10.073 0.253 1.00 0.00 C ATOM 349 CD1 LEU A 24 -9.370 8.850 -0.659 1.00 0.00 C ATOM 350 CD2 LEU A 24 -8.349 10.260 1.180 1.00 0.00 C ATOM 0 H LEU A 24 -11.826 11.782 -2.654 1.00 0.00 H new ATOM 0 HA LEU A 24 -11.884 11.358 0.268 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -9.527 11.219 -1.587 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -9.284 12.186 -0.145 1.00 0.00 H new ATOM 0 HG LEU A 24 -10.436 9.884 0.877 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -9.159 7.971 -0.049 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -10.278 8.681 -1.238 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -8.536 9.030 -1.337 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -8.167 9.338 1.732 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -7.470 10.505 0.584 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -8.549 11.070 1.882 1.00 0.00 H new ATOM 362 N PRO A 25 -11.463 13.958 0.753 1.00 0.00 N ATOM 363 CA PRO A 25 -11.484 15.436 0.933 1.00 0.00 C ATOM 364 C PRO A 25 -10.122 16.119 0.623 1.00 0.00 C ATOM 365 O PRO A 25 -9.061 15.497 0.730 1.00 0.00 O ATOM 366 CB PRO A 25 -11.835 15.565 2.432 1.00 0.00 C ATOM 367 CG PRO A 25 -11.251 14.322 3.103 1.00 0.00 C ATOM 368 CD PRO A 25 -11.331 13.229 2.035 1.00 0.00 C ATOM 0 HA PRO A 25 -12.178 15.928 0.252 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -11.410 16.475 2.856 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -12.914 15.618 2.578 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -10.222 14.490 3.421 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -11.819 14.049 3.992 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -10.439 12.603 2.043 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -12.184 12.572 2.205 1.00 0.00 H new ATOM 376 N GLU A 26 -10.158 17.433 0.332 1.00 0.00 N ATOM 377 CA GLU A 26 -8.919 18.265 0.248 1.00 0.00 C ATOM 378 C GLU A 26 -8.093 18.388 1.572 1.00 0.00 C ATOM 379 O GLU A 26 -6.863 18.470 1.492 1.00 0.00 O ATOM 380 CB GLU A 26 -9.253 19.655 -0.363 1.00 0.00 C ATOM 381 CG GLU A 26 -8.050 20.469 -0.902 1.00 0.00 C ATOM 382 CD GLU A 26 -7.321 19.844 -2.099 1.00 0.00 C ATOM 383 OE1 GLU A 26 -6.372 19.057 -1.887 1.00 0.00 O ATOM 384 OE2 GLU A 26 -7.697 20.136 -3.256 1.00 0.00 O ATOM 0 H GLU A 26 -11.019 17.948 0.151 1.00 0.00 H new ATOM 0 HA GLU A 26 -8.246 17.722 -0.416 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -9.962 19.510 -1.178 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -9.758 20.251 0.397 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -8.402 21.460 -1.189 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -7.333 20.607 -0.092 1.00 0.00 H new ATOM 391 N GLU A 27 -8.735 18.359 2.762 1.00 0.00 N ATOM 392 CA GLU A 27 -8.034 18.289 4.070 1.00 0.00 C ATOM 393 C GLU A 27 -7.136 17.026 4.260 1.00 0.00 C ATOM 394 O GLU A 27 -5.960 17.210 4.574 1.00 0.00 O ATOM 395 CB GLU A 27 -9.050 18.503 5.222 1.00 0.00 C ATOM 396 CG GLU A 27 -8.427 18.759 6.613 1.00 0.00 C ATOM 397 CD GLU A 27 -7.623 20.059 6.744 1.00 0.00 C ATOM 398 OE1 GLU A 27 -8.238 21.137 6.913 1.00 0.00 O ATOM 399 OE2 GLU A 27 -6.376 20.008 6.674 1.00 0.00 O ATOM 0 H GLU A 27 -9.751 18.383 2.846 1.00 0.00 H new ATOM 0 HA GLU A 27 -7.312 19.105 4.091 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -9.690 19.348 4.968 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -9.692 17.625 5.286 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -9.226 18.770 7.354 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -7.774 17.922 6.860 1.00 0.00 H new ATOM 406 N LEU A 28 -7.638 15.786 4.052 1.00 0.00 N ATOM 407 CA LEU A 28 -6.782 14.557 4.121 1.00 0.00 C ATOM 408 C LEU A 28 -5.775 14.322 2.943 1.00 0.00 C ATOM 409 O LEU A 28 -4.804 13.584 3.130 1.00 0.00 O ATOM 410 CB LEU A 28 -7.647 13.286 4.353 1.00 0.00 C ATOM 411 CG LEU A 28 -8.515 13.216 5.643 1.00 0.00 C ATOM 412 CD1 LEU A 28 -9.374 11.936 5.640 1.00 0.00 C ATOM 413 CD2 LEU A 28 -7.692 13.291 6.948 1.00 0.00 C ATOM 0 H LEU A 28 -8.618 15.601 3.837 1.00 0.00 H new ATOM 0 HA LEU A 28 -6.140 14.753 4.980 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -8.312 13.175 3.497 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -6.980 12.424 4.353 1.00 0.00 H new ATOM 0 HG LEU A 28 -9.154 14.099 5.626 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -9.976 11.900 6.548 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -10.030 11.940 4.769 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -8.724 11.062 5.601 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -8.363 13.236 7.805 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -6.990 12.458 6.984 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -7.142 14.231 6.978 1.00 0.00 H new ATOM 425 N ILE A 29 -5.956 14.968 1.771 1.00 0.00 N ATOM 426 CA ILE A 29 -4.920 15.073 0.701 1.00 0.00 C ATOM 427 C ILE A 29 -3.733 15.965 1.191 1.00 0.00 C ATOM 428 O ILE A 29 -2.606 15.478 1.285 1.00 0.00 O ATOM 429 CB ILE A 29 -5.584 15.554 -0.645 1.00 0.00 C ATOM 430 CG1 ILE A 29 -6.626 14.528 -1.179 1.00 0.00 C ATOM 431 CG2 ILE A 29 -4.557 15.873 -1.763 1.00 0.00 C ATOM 432 CD1 ILE A 29 -7.545 15.026 -2.305 1.00 0.00 C ATOM 0 H ILE A 29 -6.829 15.438 1.531 1.00 0.00 H new ATOM 0 HA ILE A 29 -4.488 14.095 0.487 1.00 0.00 H new ATOM 0 HB ILE A 29 -6.091 16.484 -0.388 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -6.090 13.649 -1.536 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -7.249 14.205 -0.345 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -5.085 16.198 -2.660 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -3.889 16.666 -1.428 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -3.975 14.979 -1.988 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -8.228 14.228 -2.597 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -8.118 15.884 -1.954 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -6.942 15.319 -3.164 1.00 0.00 H new ATOM 444 N GLN A 30 -3.986 17.247 1.512 1.00 0.00 N ATOM 445 CA GLN A 30 -2.932 18.186 2.003 1.00 0.00 C ATOM 446 C GLN A 30 -2.276 17.848 3.384 1.00 0.00 C ATOM 447 O GLN A 30 -1.127 18.242 3.611 1.00 0.00 O ATOM 448 CB GLN A 30 -3.464 19.649 2.001 1.00 0.00 C ATOM 449 CG GLN A 30 -3.953 20.239 0.654 1.00 0.00 C ATOM 450 CD GLN A 30 -2.872 20.361 -0.436 1.00 0.00 C ATOM 451 OE1 GLN A 30 -1.937 21.152 -0.322 1.00 0.00 O ATOM 452 NE2 GLN A 30 -2.976 19.593 -1.511 1.00 0.00 N ATOM 0 H GLN A 30 -4.912 17.668 1.443 1.00 0.00 H new ATOM 0 HA GLN A 30 -2.119 18.062 1.288 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -4.289 19.706 2.711 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -2.672 20.294 2.381 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -4.762 19.615 0.274 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -4.373 21.227 0.839 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -3.754 18.940 -1.598 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -2.278 19.655 -2.252 1.00 0.00 H new ATOM 461 N LYS A 31 -2.970 17.114 4.277 1.00 0.00 N ATOM 462 CA LYS A 31 -2.389 16.572 5.536 1.00 0.00 C ATOM 463 C LYS A 31 -1.530 15.289 5.291 1.00 0.00 C ATOM 464 O LYS A 31 -0.373 15.251 5.720 1.00 0.00 O ATOM 465 CB LYS A 31 -3.549 16.356 6.552 1.00 0.00 C ATOM 466 CG LYS A 31 -3.161 16.186 8.039 1.00 0.00 C ATOM 467 CD LYS A 31 -2.599 17.437 8.761 1.00 0.00 C ATOM 468 CE LYS A 31 -3.473 18.713 8.767 1.00 0.00 C ATOM 469 NZ LYS A 31 -4.769 18.548 9.456 1.00 0.00 N ATOM 0 H LYS A 31 -3.954 16.876 4.151 1.00 0.00 H new ATOM 0 HA LYS A 31 -1.684 17.289 5.957 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -4.229 17.205 6.475 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -4.107 15.472 6.245 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -4.042 15.846 8.584 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -2.418 15.391 8.108 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -2.396 17.164 9.797 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -1.642 17.687 8.303 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -2.918 19.519 9.246 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -3.657 19.021 7.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -5.298 19.443 9.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -5.319 17.801 8.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -4.604 18.284 10.448 1.00 0.00 H new ATOM 483 N GLY A 32 -2.081 14.269 4.596 1.00 0.00 N ATOM 484 CA GLY A 32 -1.346 13.029 4.245 1.00 0.00 C ATOM 485 C GLY A 32 -0.189 13.082 3.213 1.00 0.00 C ATOM 486 O GLY A 32 0.632 12.162 3.220 1.00 0.00 O ATOM 0 H GLY A 32 -3.045 14.280 4.263 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -0.938 12.621 5.170 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -2.078 12.311 3.875 1.00 0.00 H new ATOM 490 N LYS A 33 -0.089 14.125 2.361 1.00 0.00 N ATOM 491 CA LYS A 33 1.108 14.359 1.498 1.00 0.00 C ATOM 492 C LYS A 33 2.427 14.682 2.280 1.00 0.00 C ATOM 493 O LYS A 33 3.474 14.116 1.955 1.00 0.00 O ATOM 494 CB LYS A 33 0.775 15.371 0.364 1.00 0.00 C ATOM 495 CG LYS A 33 0.609 16.857 0.756 1.00 0.00 C ATOM 496 CD LYS A 33 0.144 17.779 -0.388 1.00 0.00 C ATOM 497 CE LYS A 33 1.165 18.037 -1.514 1.00 0.00 C ATOM 498 NZ LYS A 33 2.337 18.821 -1.079 1.00 0.00 N ATOM 0 H LYS A 33 -0.822 14.825 2.246 1.00 0.00 H new ATOM 0 HA LYS A 33 1.344 13.406 1.024 1.00 0.00 H new ATOM 0 HB2 LYS A 33 1.564 15.307 -0.385 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -0.148 15.045 -0.116 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -0.109 16.925 1.573 1.00 0.00 H new ATOM 0 HG3 LYS A 33 1.561 17.226 1.137 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -0.753 17.348 -0.832 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -0.142 18.739 0.041 1.00 0.00 H new ATOM 0 HE2 LYS A 33 1.505 17.081 -1.911 1.00 0.00 H new ATOM 0 HE3 LYS A 33 0.669 18.563 -2.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 2.982 18.957 -1.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 2.023 19.748 -0.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 2.833 18.311 -0.320 1.00 0.00 H new ATOM 512 N ASP A 34 2.360 15.536 3.326 1.00 0.00 N ATOM 513 CA ASP A 34 3.469 15.740 4.301 1.00 0.00 C ATOM 514 C ASP A 34 3.801 14.502 5.204 1.00 0.00 C ATOM 515 O ASP A 34 4.983 14.274 5.479 1.00 0.00 O ATOM 516 CB ASP A 34 3.131 17.004 5.141 1.00 0.00 C ATOM 517 CG ASP A 34 4.289 17.552 5.988 1.00 0.00 C ATOM 518 OD1 ASP A 34 5.151 18.274 5.441 1.00 0.00 O ATOM 519 OD2 ASP A 34 4.342 17.257 7.203 1.00 0.00 O ATOM 0 H ASP A 34 1.537 16.106 3.523 1.00 0.00 H new ATOM 0 HA ASP A 34 4.389 15.879 3.734 1.00 0.00 H new ATOM 0 HB2 ASP A 34 2.791 17.790 4.466 1.00 0.00 H new ATOM 0 HB3 ASP A 34 2.297 16.769 5.802 1.00 0.00 H new ATOM 524 N ILE A 35 2.793 13.715 5.648 1.00 0.00 N ATOM 525 CA ILE A 35 2.995 12.489 6.477 1.00 0.00 C ATOM 526 C ILE A 35 3.606 11.380 5.558 1.00 0.00 C ATOM 527 O ILE A 35 2.968 10.930 4.601 1.00 0.00 O ATOM 528 CB ILE A 35 1.647 12.064 7.172 1.00 0.00 C ATOM 529 CG1 ILE A 35 1.090 13.149 8.151 1.00 0.00 C ATOM 530 CG2 ILE A 35 1.757 10.711 7.927 1.00 0.00 C ATOM 531 CD1 ILE A 35 -0.403 13.027 8.500 1.00 0.00 C ATOM 0 H ILE A 35 1.812 13.907 5.444 1.00 0.00 H new ATOM 0 HA ILE A 35 3.694 12.673 7.293 1.00 0.00 H new ATOM 0 HB ILE A 35 0.945 11.950 6.346 1.00 0.00 H new ATOM 0 HG12 ILE A 35 1.665 13.107 9.076 1.00 0.00 H new ATOM 0 HG13 ILE A 35 1.263 14.132 7.712 1.00 0.00 H new ATOM 0 HG21 ILE A 35 0.798 10.471 8.385 1.00 0.00 H new ATOM 0 HG22 ILE A 35 2.031 9.924 7.225 1.00 0.00 H new ATOM 0 HG23 ILE A 35 2.520 10.788 8.702 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -0.683 13.828 9.184 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -0.997 13.103 7.589 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -0.588 12.063 8.974 1.00 0.00 H new ATOM 543 N LYS A 36 4.852 10.969 5.869 1.00 0.00 N ATOM 544 CA LYS A 36 5.624 10.016 5.027 1.00 0.00 C ATOM 545 C LYS A 36 5.255 8.556 5.425 1.00 0.00 C ATOM 546 O LYS A 36 5.628 8.076 6.501 1.00 0.00 O ATOM 547 CB LYS A 36 7.137 10.339 5.172 1.00 0.00 C ATOM 548 CG LYS A 36 8.022 9.676 4.095 1.00 0.00 C ATOM 549 CD LYS A 36 9.549 9.860 4.261 1.00 0.00 C ATOM 550 CE LYS A 36 10.131 11.235 3.870 1.00 0.00 C ATOM 551 NZ LYS A 36 9.911 12.285 4.882 1.00 0.00 N ATOM 0 H LYS A 36 5.353 11.281 6.701 1.00 0.00 H new ATOM 0 HA LYS A 36 5.373 10.119 3.971 1.00 0.00 H new ATOM 0 HB2 LYS A 36 7.274 11.419 5.127 1.00 0.00 H new ATOM 0 HB3 LYS A 36 7.475 10.016 6.156 1.00 0.00 H new ATOM 0 HG2 LYS A 36 7.805 8.608 4.082 1.00 0.00 H new ATOM 0 HG3 LYS A 36 7.733 10.072 3.122 1.00 0.00 H new ATOM 0 HD2 LYS A 36 9.803 9.668 5.303 1.00 0.00 H new ATOM 0 HD3 LYS A 36 10.050 9.097 3.665 1.00 0.00 H new ATOM 0 HE2 LYS A 36 11.202 11.130 3.697 1.00 0.00 H new ATOM 0 HE3 LYS A 36 9.685 11.553 2.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 10.633 13.026 4.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 8.966 12.700 4.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 9.979 11.870 5.833 1.00 0.00 H new ATOM 565 N GLY A 37 4.484 7.885 4.552 1.00 0.00 N ATOM 566 CA GLY A 37 3.833 6.601 4.888 1.00 0.00 C ATOM 567 C GLY A 37 4.679 5.354 4.569 1.00 0.00 C ATOM 568 O GLY A 37 5.185 5.205 3.451 1.00 0.00 O ATOM 0 H GLY A 37 4.294 8.210 3.604 1.00 0.00 H new ATOM 0 HA2 GLY A 37 3.591 6.598 5.951 1.00 0.00 H new ATOM 0 HA3 GLY A 37 2.890 6.533 4.346 1.00 0.00 H new ATOM 572 N VAL A 38 4.770 4.441 5.552 1.00 0.00 N ATOM 573 CA VAL A 38 5.472 3.135 5.390 1.00 0.00 C ATOM 574 C VAL A 38 4.419 2.111 4.868 1.00 0.00 C ATOM 575 O VAL A 38 3.437 1.799 5.549 1.00 0.00 O ATOM 576 CB VAL A 38 6.178 2.642 6.701 1.00 0.00 C ATOM 577 CG1 VAL A 38 7.011 1.355 6.471 1.00 0.00 C ATOM 578 CG2 VAL A 38 7.112 3.688 7.355 1.00 0.00 C ATOM 0 H VAL A 38 4.365 4.577 6.478 1.00 0.00 H new ATOM 0 HA VAL A 38 6.288 3.247 4.676 1.00 0.00 H new ATOM 0 HB VAL A 38 5.346 2.449 7.378 1.00 0.00 H new ATOM 0 HG11 VAL A 38 7.480 1.053 7.407 1.00 0.00 H new ATOM 0 HG12 VAL A 38 6.358 0.557 6.119 1.00 0.00 H new ATOM 0 HG13 VAL A 38 7.782 1.549 5.725 1.00 0.00 H new ATOM 0 HG21 VAL A 38 7.558 3.265 8.255 1.00 0.00 H new ATOM 0 HG22 VAL A 38 7.900 3.962 6.653 1.00 0.00 H new ATOM 0 HG23 VAL A 38 6.537 4.575 7.618 1.00 0.00 H new ATOM 588 N SER A 39 4.668 1.584 3.660 1.00 0.00 N ATOM 589 CA SER A 39 3.836 0.516 3.054 1.00 0.00 C ATOM 590 C SER A 39 4.570 -0.830 3.255 1.00 0.00 C ATOM 591 O SER A 39 5.523 -1.158 2.541 1.00 0.00 O ATOM 592 CB SER A 39 3.576 0.802 1.563 1.00 0.00 C ATOM 593 OG SER A 39 2.867 2.023 1.380 1.00 0.00 O ATOM 0 H SER A 39 5.447 1.880 3.072 1.00 0.00 H new ATOM 0 HA SER A 39 2.860 0.476 3.538 1.00 0.00 H new ATOM 0 HB2 SER A 39 4.526 0.848 1.030 1.00 0.00 H new ATOM 0 HB3 SER A 39 3.006 -0.019 1.128 1.00 0.00 H new ATOM 0 HG SER A 39 2.720 2.176 0.423 1.00 0.00 H new ATOM 599 N GLU A 40 4.107 -1.601 4.247 1.00 0.00 N ATOM 600 CA GLU A 40 4.652 -2.940 4.557 1.00 0.00 C ATOM 601 C GLU A 40 4.052 -4.000 3.603 1.00 0.00 C ATOM 602 O GLU A 40 2.896 -3.904 3.181 1.00 0.00 O ATOM 603 CB GLU A 40 4.332 -3.316 6.025 1.00 0.00 C ATOM 604 CG GLU A 40 5.085 -2.525 7.112 1.00 0.00 C ATOM 605 CD GLU A 40 4.222 -1.499 7.856 1.00 0.00 C ATOM 606 OE1 GLU A 40 3.550 -1.878 8.841 1.00 0.00 O ATOM 607 OE2 GLU A 40 4.201 -0.314 7.455 1.00 0.00 O ATOM 0 H GLU A 40 3.343 -1.319 4.861 1.00 0.00 H new ATOM 0 HA GLU A 40 5.733 -2.915 4.421 1.00 0.00 H new ATOM 0 HB2 GLU A 40 3.262 -3.185 6.186 1.00 0.00 H new ATOM 0 HB3 GLU A 40 4.548 -4.376 6.162 1.00 0.00 H new ATOM 0 HG2 GLU A 40 5.499 -3.228 7.835 1.00 0.00 H new ATOM 0 HG3 GLU A 40 5.927 -2.009 6.652 1.00 0.00 H new ATOM 614 N ILE A 41 4.871 -5.008 3.278 1.00 0.00 N ATOM 615 CA ILE A 41 4.434 -6.183 2.471 1.00 0.00 C ATOM 616 C ILE A 41 5.177 -7.395 3.112 1.00 0.00 C ATOM 617 O ILE A 41 6.409 -7.409 3.194 1.00 0.00 O ATOM 618 CB ILE A 41 4.687 -6.050 0.922 1.00 0.00 C ATOM 619 CG1 ILE A 41 4.111 -4.754 0.272 1.00 0.00 C ATOM 620 CG2 ILE A 41 4.143 -7.295 0.174 1.00 0.00 C ATOM 621 CD1 ILE A 41 4.502 -4.495 -1.193 1.00 0.00 C ATOM 0 H ILE A 41 5.851 -5.044 3.559 1.00 0.00 H new ATOM 0 HA ILE A 41 3.350 -6.294 2.507 1.00 0.00 H new ATOM 0 HB ILE A 41 5.770 -5.981 0.818 1.00 0.00 H new ATOM 0 HG12 ILE A 41 3.024 -4.794 0.334 1.00 0.00 H new ATOM 0 HG13 ILE A 41 4.433 -3.900 0.868 1.00 0.00 H new ATOM 0 HG21 ILE A 41 4.326 -7.186 -0.895 1.00 0.00 H new ATOM 0 HG22 ILE A 41 4.648 -8.189 0.540 1.00 0.00 H new ATOM 0 HG23 ILE A 41 3.071 -7.386 0.351 1.00 0.00 H new ATOM 0 HD11 ILE A 41 4.042 -3.567 -1.534 1.00 0.00 H new ATOM 0 HD12 ILE A 41 5.586 -4.413 -1.271 1.00 0.00 H new ATOM 0 HD13 ILE A 41 4.155 -5.321 -1.814 1.00 0.00 H new ATOM 633 N VAL A 42 4.406 -8.410 3.546 1.00 0.00 N ATOM 634 CA VAL A 42 4.946 -9.636 4.201 1.00 0.00 C ATOM 635 C VAL A 42 4.604 -10.809 3.237 1.00 0.00 C ATOM 636 O VAL A 42 3.440 -11.204 3.128 1.00 0.00 O ATOM 637 CB VAL A 42 4.354 -9.830 5.644 1.00 0.00 C ATOM 638 CG1 VAL A 42 4.862 -11.115 6.342 1.00 0.00 C ATOM 639 CG2 VAL A 42 4.626 -8.639 6.596 1.00 0.00 C ATOM 0 H VAL A 42 3.390 -8.412 3.456 1.00 0.00 H new ATOM 0 HA VAL A 42 6.023 -9.574 4.359 1.00 0.00 H new ATOM 0 HB VAL A 42 3.282 -9.906 5.464 1.00 0.00 H new ATOM 0 HG11 VAL A 42 4.417 -11.191 7.334 1.00 0.00 H new ATOM 0 HG12 VAL A 42 4.580 -11.986 5.750 1.00 0.00 H new ATOM 0 HG13 VAL A 42 5.947 -11.074 6.434 1.00 0.00 H new ATOM 0 HG21 VAL A 42 4.187 -8.846 7.572 1.00 0.00 H new ATOM 0 HG22 VAL A 42 5.701 -8.498 6.704 1.00 0.00 H new ATOM 0 HG23 VAL A 42 4.181 -7.734 6.183 1.00 0.00 H new ATOM 649 N GLN A 43 5.627 -11.369 2.568 1.00 0.00 N ATOM 650 CA GLN A 43 5.462 -12.543 1.670 1.00 0.00 C ATOM 651 C GLN A 43 5.749 -13.853 2.457 1.00 0.00 C ATOM 652 O GLN A 43 6.868 -14.071 2.934 1.00 0.00 O ATOM 653 CB GLN A 43 6.394 -12.372 0.440 1.00 0.00 C ATOM 654 CG GLN A 43 6.306 -13.504 -0.616 1.00 0.00 C ATOM 655 CD GLN A 43 7.110 -13.245 -1.904 1.00 0.00 C ATOM 656 OE1 GLN A 43 8.223 -12.717 -1.888 1.00 0.00 O ATOM 657 NE2 GLN A 43 6.573 -13.637 -3.048 1.00 0.00 N ATOM 0 H GLN A 43 6.587 -11.030 2.628 1.00 0.00 H new ATOM 0 HA GLN A 43 4.437 -12.608 1.306 1.00 0.00 H new ATOM 0 HB2 GLN A 43 6.159 -11.425 -0.045 1.00 0.00 H new ATOM 0 HB3 GLN A 43 7.424 -12.303 0.791 1.00 0.00 H new ATOM 0 HG2 GLN A 43 6.657 -14.432 -0.165 1.00 0.00 H new ATOM 0 HG3 GLN A 43 5.260 -13.655 -0.881 1.00 0.00 H new ATOM 0 HE21 GLN A 43 5.651 -14.074 -3.056 1.00 0.00 H new ATOM 0 HE22 GLN A 43 7.081 -13.503 -3.922 1.00 0.00 H new ATOM 666 N ASN A 44 4.739 -14.737 2.518 1.00 0.00 N ATOM 667 CA ASN A 44 4.928 -16.161 2.917 1.00 0.00 C ATOM 668 C ASN A 44 4.411 -17.053 1.748 1.00 0.00 C ATOM 669 O ASN A 44 3.320 -17.630 1.823 1.00 0.00 O ATOM 670 CB ASN A 44 4.211 -16.451 4.268 1.00 0.00 C ATOM 671 CG ASN A 44 4.826 -15.768 5.508 1.00 0.00 C ATOM 672 OD1 ASN A 44 5.987 -15.990 5.852 1.00 0.00 O ATOM 673 ND2 ASN A 44 4.064 -14.938 6.204 1.00 0.00 N ATOM 0 H ASN A 44 3.773 -14.498 2.296 1.00 0.00 H new ATOM 0 HA ASN A 44 5.981 -16.386 3.089 1.00 0.00 H new ATOM 0 HB2 ASN A 44 3.171 -16.138 4.181 1.00 0.00 H new ATOM 0 HB3 ASN A 44 4.207 -17.528 4.433 1.00 0.00 H new ATOM 0 HD21 ASN A 44 4.438 -14.476 7.033 1.00 0.00 H new ATOM 0 HD22 ASN A 44 3.103 -14.761 5.911 1.00 0.00 H new ATOM 680 N GLY A 45 5.194 -17.138 0.649 1.00 0.00 N ATOM 681 CA GLY A 45 4.793 -17.865 -0.580 1.00 0.00 C ATOM 682 C GLY A 45 3.626 -17.197 -1.347 1.00 0.00 C ATOM 683 O GLY A 45 3.732 -16.039 -1.763 1.00 0.00 O ATOM 0 H GLY A 45 6.117 -16.708 0.587 1.00 0.00 H new ATOM 0 HA2 GLY A 45 5.655 -17.942 -1.243 1.00 0.00 H new ATOM 0 HA3 GLY A 45 4.505 -18.882 -0.312 1.00 0.00 H new ATOM 687 N LYS A 46 2.509 -17.934 -1.475 1.00 0.00 N ATOM 688 CA LYS A 46 1.210 -17.372 -1.943 1.00 0.00 C ATOM 689 C LYS A 46 0.439 -16.510 -0.891 1.00 0.00 C ATOM 690 O LYS A 46 -0.252 -15.575 -1.297 1.00 0.00 O ATOM 691 CB LYS A 46 0.287 -18.511 -2.459 1.00 0.00 C ATOM 692 CG LYS A 46 0.671 -19.107 -3.831 1.00 0.00 C ATOM 693 CD LYS A 46 -0.355 -20.142 -4.337 1.00 0.00 C ATOM 694 CE LYS A 46 -0.138 -20.519 -5.814 1.00 0.00 C ATOM 695 NZ LYS A 46 -1.154 -21.482 -6.275 1.00 0.00 N ATOM 0 H LYS A 46 2.471 -18.931 -1.261 1.00 0.00 H new ATOM 0 HA LYS A 46 1.475 -16.686 -2.747 1.00 0.00 H new ATOM 0 HB2 LYS A 46 0.283 -19.314 -1.722 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -0.732 -18.129 -2.520 1.00 0.00 H new ATOM 0 HG2 LYS A 46 0.759 -18.302 -4.561 1.00 0.00 H new ATOM 0 HG3 LYS A 46 1.651 -19.579 -3.757 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -0.291 -21.041 -3.724 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -1.361 -19.741 -4.212 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -0.179 -19.621 -6.431 1.00 0.00 H new ATOM 0 HE3 LYS A 46 0.856 -20.948 -5.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -0.982 -21.717 -7.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -1.098 -22.347 -5.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -2.100 -21.062 -6.176 1.00 0.00 H new ATOM 709 N HIS A 47 0.526 -16.807 0.422 1.00 0.00 N ATOM 710 CA HIS A 47 -0.172 -16.035 1.488 1.00 0.00 C ATOM 711 C HIS A 47 0.567 -14.707 1.809 1.00 0.00 C ATOM 712 O HIS A 47 1.795 -14.675 1.934 1.00 0.00 O ATOM 713 CB HIS A 47 -0.293 -16.908 2.768 1.00 0.00 C ATOM 714 CG HIS A 47 -1.378 -17.988 2.683 1.00 0.00 C ATOM 715 ND1 HIS A 47 -1.181 -19.264 2.188 1.00 0.00 N ATOM 716 CD2 HIS A 47 -2.735 -17.802 3.001 1.00 0.00 C ATOM 717 CE1 HIS A 47 -2.466 -19.738 2.245 1.00 0.00 C ATOM 718 NE2 HIS A 47 -3.476 -18.943 2.725 1.00 0.00 N ATOM 0 H HIS A 47 1.079 -17.586 0.780 1.00 0.00 H new ATOM 0 HA HIS A 47 -1.167 -15.777 1.126 1.00 0.00 H new ATOM 0 HB2 HIS A 47 0.667 -17.386 2.962 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -0.505 -16.260 3.619 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -3.147 -16.890 3.407 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -2.684 -20.741 1.911 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -4.471 -19.133 2.843 1.00 0.00 H new ATOM 726 N PHE A 48 -0.211 -13.618 1.931 1.00 0.00 N ATOM 727 CA PHE A 48 0.325 -12.245 2.132 1.00 0.00 C ATOM 728 C PHE A 48 -0.493 -11.472 3.204 1.00 0.00 C ATOM 729 O PHE A 48 -1.710 -11.639 3.345 1.00 0.00 O ATOM 730 CB PHE A 48 0.297 -11.446 0.796 1.00 0.00 C ATOM 731 CG PHE A 48 1.517 -11.614 -0.125 1.00 0.00 C ATOM 732 CD1 PHE A 48 1.601 -12.698 -1.004 1.00 0.00 C ATOM 733 CD2 PHE A 48 2.471 -10.594 -0.207 1.00 0.00 C ATOM 734 CE1 PHE A 48 2.610 -12.755 -1.961 1.00 0.00 C ATOM 735 CE2 PHE A 48 3.467 -10.643 -1.178 1.00 0.00 C ATOM 736 CZ PHE A 48 3.534 -11.718 -2.057 1.00 0.00 C ATOM 0 H PHE A 48 -1.230 -13.656 1.894 1.00 0.00 H new ATOM 0 HA PHE A 48 1.354 -12.345 2.477 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -0.594 -11.740 0.241 1.00 0.00 H new ATOM 0 HB3 PHE A 48 0.190 -10.387 1.033 1.00 0.00 H new ATOM 0 HD1 PHE A 48 0.877 -13.497 -0.940 1.00 0.00 H new ATOM 0 HD2 PHE A 48 2.435 -9.766 0.485 1.00 0.00 H new ATOM 0 HE1 PHE A 48 2.676 -13.602 -2.628 1.00 0.00 H new ATOM 0 HE2 PHE A 48 4.190 -9.844 -1.249 1.00 0.00 H new ATOM 0 HZ PHE A 48 4.303 -11.749 -2.815 1.00 0.00 H new ATOM 746 N LYS A 49 0.207 -10.547 3.886 1.00 0.00 N ATOM 747 CA LYS A 49 -0.430 -9.448 4.654 1.00 0.00 C ATOM 748 C LYS A 49 0.381 -8.161 4.346 1.00 0.00 C ATOM 749 O LYS A 49 1.551 -8.039 4.724 1.00 0.00 O ATOM 750 CB LYS A 49 -0.445 -9.760 6.170 1.00 0.00 C ATOM 751 CG LYS A 49 -1.269 -8.767 7.024 1.00 0.00 C ATOM 752 CD LYS A 49 -1.204 -9.034 8.540 1.00 0.00 C ATOM 753 CE LYS A 49 0.134 -8.633 9.193 1.00 0.00 C ATOM 754 NZ LYS A 49 0.088 -8.800 10.655 1.00 0.00 N ATOM 0 H LYS A 49 1.226 -10.535 3.924 1.00 0.00 H new ATOM 0 HA LYS A 49 -1.473 -9.323 4.362 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -0.844 -10.764 6.317 1.00 0.00 H new ATOM 0 HB3 LYS A 49 0.582 -9.769 6.536 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -0.914 -7.755 6.829 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -2.310 -8.806 6.704 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -2.012 -8.490 9.029 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -1.380 -10.095 8.719 1.00 0.00 H new ATOM 0 HE2 LYS A 49 0.939 -9.241 8.781 1.00 0.00 H new ATOM 0 HE3 LYS A 49 0.363 -7.595 8.951 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 1.002 -8.522 11.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -0.665 -8.200 11.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -0.106 -9.796 10.885 1.00 0.00 H new ATOM 768 N PHE A 50 -0.283 -7.199 3.691 1.00 0.00 N ATOM 769 CA PHE A 50 0.280 -5.846 3.434 1.00 0.00 C ATOM 770 C PHE A 50 -0.427 -4.808 4.344 1.00 0.00 C ATOM 771 O PHE A 50 -1.659 -4.712 4.360 1.00 0.00 O ATOM 772 CB PHE A 50 0.288 -5.481 1.923 1.00 0.00 C ATOM 773 CG PHE A 50 -1.033 -5.128 1.206 1.00 0.00 C ATOM 774 CD1 PHE A 50 -1.968 -6.120 0.895 1.00 0.00 C ATOM 775 CD2 PHE A 50 -1.274 -3.811 0.796 1.00 0.00 C ATOM 776 CE1 PHE A 50 -3.104 -5.808 0.152 1.00 0.00 C ATOM 777 CE2 PHE A 50 -2.420 -3.497 0.070 1.00 0.00 C ATOM 778 CZ PHE A 50 -3.329 -4.498 -0.259 1.00 0.00 C ATOM 0 H PHE A 50 -1.225 -7.326 3.321 1.00 0.00 H new ATOM 0 HA PHE A 50 1.336 -5.839 3.705 1.00 0.00 H new ATOM 0 HB2 PHE A 50 0.961 -4.633 1.798 1.00 0.00 H new ATOM 0 HB3 PHE A 50 0.732 -6.321 1.389 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -1.809 -7.133 1.233 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -0.567 -3.034 1.044 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -3.811 -6.583 -0.105 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -2.603 -2.478 -0.237 1.00 0.00 H new ATOM 0 HZ PHE A 50 -4.211 -4.258 -0.834 1.00 0.00 H new ATOM 788 N THR A 51 0.382 -4.053 5.106 1.00 0.00 N ATOM 789 CA THR A 51 -0.125 -3.101 6.132 1.00 0.00 C ATOM 790 C THR A 51 0.369 -1.691 5.720 1.00 0.00 C ATOM 791 O THR A 51 1.521 -1.324 5.977 1.00 0.00 O ATOM 792 CB THR A 51 0.322 -3.536 7.563 1.00 0.00 C ATOM 793 OG1 THR A 51 -0.087 -4.876 7.826 1.00 0.00 O ATOM 794 CG2 THR A 51 -0.256 -2.655 8.685 1.00 0.00 C ATOM 0 H THR A 51 1.399 -4.078 5.036 1.00 0.00 H new ATOM 0 HA THR A 51 -1.214 -3.091 6.176 1.00 0.00 H new ATOM 0 HB THR A 51 1.407 -3.434 7.567 1.00 0.00 H new ATOM 0 HG1 THR A 51 -0.658 -4.893 8.622 1.00 0.00 H new ATOM 0 HG21 THR A 51 0.098 -3.017 9.650 1.00 0.00 H new ATOM 0 HG22 THR A 51 0.069 -1.624 8.543 1.00 0.00 H new ATOM 0 HG23 THR A 51 -1.345 -2.699 8.658 1.00 0.00 H new ATOM 802 N ILE A 52 -0.522 -0.904 5.090 1.00 0.00 N ATOM 803 CA ILE A 52 -0.206 0.486 4.658 1.00 0.00 C ATOM 804 C ILE A 52 -0.612 1.425 5.828 1.00 0.00 C ATOM 805 O ILE A 52 -1.755 1.424 6.291 1.00 0.00 O ATOM 806 CB ILE A 52 -0.854 0.872 3.281 1.00 0.00 C ATOM 807 CG1 ILE A 52 -0.342 -0.053 2.135 1.00 0.00 C ATOM 808 CG2 ILE A 52 -0.608 2.363 2.906 1.00 0.00 C ATOM 809 CD1 ILE A 52 -1.017 0.136 0.771 1.00 0.00 C ATOM 0 H ILE A 52 -1.472 -1.201 4.864 1.00 0.00 H new ATOM 0 HA ILE A 52 0.861 0.586 4.458 1.00 0.00 H new ATOM 0 HB ILE A 52 -1.928 0.730 3.399 1.00 0.00 H new ATOM 0 HG12 ILE A 52 0.729 0.109 2.014 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -0.475 -1.090 2.444 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -1.076 2.579 1.946 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -1.039 3.007 3.673 1.00 0.00 H new ATOM 0 HG23 ILE A 52 0.464 2.549 2.837 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -0.583 -0.558 0.051 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -2.086 -0.058 0.864 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -0.863 1.159 0.427 1.00 0.00 H new ATOM 821 N THR A 53 0.359 2.251 6.236 1.00 0.00 N ATOM 822 CA THR A 53 0.132 3.363 7.194 1.00 0.00 C ATOM 823 C THR A 53 0.104 4.675 6.368 1.00 0.00 C ATOM 824 O THR A 53 1.114 5.071 5.774 1.00 0.00 O ATOM 825 CB THR A 53 1.207 3.430 8.320 1.00 0.00 C ATOM 826 OG1 THR A 53 2.531 3.458 7.789 1.00 0.00 O ATOM 827 CG2 THR A 53 1.123 2.288 9.347 1.00 0.00 C ATOM 0 H THR A 53 1.325 2.176 5.918 1.00 0.00 H new ATOM 0 HA THR A 53 -0.812 3.202 7.715 1.00 0.00 H new ATOM 0 HB THR A 53 0.984 4.362 8.840 1.00 0.00 H new ATOM 0 HG1 THR A 53 2.642 2.724 7.149 1.00 0.00 H new ATOM 0 HG21 THR A 53 1.907 2.412 10.094 1.00 0.00 H new ATOM 0 HG22 THR A 53 0.149 2.309 9.836 1.00 0.00 H new ATOM 0 HG23 THR A 53 1.253 1.332 8.840 1.00 0.00 H new ATOM 835 N ALA A 54 -1.069 5.325 6.337 1.00 0.00 N ATOM 836 CA ALA A 54 -1.271 6.605 5.620 1.00 0.00 C ATOM 837 C ALA A 54 -1.894 7.655 6.572 1.00 0.00 C ATOM 838 O ALA A 54 -2.738 7.342 7.422 1.00 0.00 O ATOM 839 CB ALA A 54 -2.182 6.363 4.398 1.00 0.00 C ATOM 0 H ALA A 54 -1.908 4.983 6.806 1.00 0.00 H new ATOM 0 HA ALA A 54 -0.311 6.989 5.276 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -2.334 7.302 3.866 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -1.712 5.640 3.731 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -3.144 5.975 4.733 1.00 0.00 H new ATOM 845 N GLY A 55 -1.521 8.928 6.352 1.00 0.00 N ATOM 846 CA GLY A 55 -2.212 10.092 6.969 1.00 0.00 C ATOM 847 C GLY A 55 -3.751 10.231 6.792 1.00 0.00 C ATOM 848 O GLY A 55 -4.413 10.737 7.702 1.00 0.00 O ATOM 0 H GLY A 55 -0.740 9.186 5.748 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -2.004 10.070 8.039 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -1.751 10.997 6.573 1.00 0.00 H new ATOM 852 N SER A 56 -4.315 9.743 5.668 1.00 0.00 N ATOM 853 CA SER A 56 -5.778 9.526 5.518 1.00 0.00 C ATOM 854 C SER A 56 -6.320 8.369 6.421 1.00 0.00 C ATOM 855 O SER A 56 -7.139 8.645 7.301 1.00 0.00 O ATOM 856 CB SER A 56 -6.139 9.324 4.027 1.00 0.00 C ATOM 857 OG SER A 56 -5.756 10.442 3.231 1.00 0.00 O ATOM 0 H SER A 56 -3.777 9.488 4.840 1.00 0.00 H new ATOM 0 HA SER A 56 -6.281 10.426 5.873 1.00 0.00 H new ATOM 0 HB2 SER A 56 -5.647 8.426 3.653 1.00 0.00 H new ATOM 0 HB3 SER A 56 -7.213 9.162 3.932 1.00 0.00 H new ATOM 0 HG SER A 56 -5.850 10.216 2.282 1.00 0.00 H new ATOM 863 N LYS A 57 -5.877 7.104 6.217 1.00 0.00 N ATOM 864 CA LYS A 57 -6.350 5.934 7.009 1.00 0.00 C ATOM 865 C LYS A 57 -5.272 4.808 7.000 1.00 0.00 C ATOM 866 O LYS A 57 -4.742 4.440 5.945 1.00 0.00 O ATOM 867 CB LYS A 57 -7.718 5.433 6.447 1.00 0.00 C ATOM 868 CG LYS A 57 -8.412 4.253 7.168 1.00 0.00 C ATOM 869 CD LYS A 57 -8.808 4.502 8.641 1.00 0.00 C ATOM 870 CE LYS A 57 -9.435 3.281 9.345 1.00 0.00 C ATOM 871 NZ LYS A 57 -10.804 2.978 8.888 1.00 0.00 N ATOM 0 H LYS A 57 -5.187 6.864 5.505 1.00 0.00 H new ATOM 0 HA LYS A 57 -6.504 6.232 8.046 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -8.408 6.277 6.447 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -7.566 5.146 5.407 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -9.310 3.989 6.610 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -7.749 3.389 7.131 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -7.922 4.811 9.196 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -9.514 5.331 8.680 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -8.803 2.409 9.176 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -9.450 3.460 10.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -11.165 2.148 9.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -11.421 3.795 9.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -10.793 2.777 7.868 1.00 0.00 H new ATOM 885 N VAL A 58 -5.028 4.201 8.183 1.00 0.00 N ATOM 886 CA VAL A 58 -4.253 2.930 8.309 1.00 0.00 C ATOM 887 C VAL A 58 -5.152 1.719 7.893 1.00 0.00 C ATOM 888 O VAL A 58 -6.245 1.524 8.435 1.00 0.00 O ATOM 889 CB VAL A 58 -3.587 2.789 9.721 1.00 0.00 C ATOM 890 CG1 VAL A 58 -4.557 2.744 10.925 1.00 0.00 C ATOM 891 CG2 VAL A 58 -2.630 1.577 9.808 1.00 0.00 C ATOM 0 H VAL A 58 -5.357 4.569 9.076 1.00 0.00 H new ATOM 0 HA VAL A 58 -3.412 2.947 7.616 1.00 0.00 H new ATOM 0 HB VAL A 58 -3.028 3.721 9.806 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -3.986 2.645 11.848 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -5.141 3.664 10.956 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -5.228 1.891 10.820 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -2.196 1.527 10.807 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -3.184 0.660 9.606 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -1.834 1.689 9.072 1.00 0.00 H new ATOM 901 N ILE A 59 -4.678 0.947 6.899 1.00 0.00 N ATOM 902 CA ILE A 59 -5.490 -0.107 6.219 1.00 0.00 C ATOM 903 C ILE A 59 -4.613 -1.398 6.200 1.00 0.00 C ATOM 904 O ILE A 59 -3.549 -1.426 5.572 1.00 0.00 O ATOM 905 CB ILE A 59 -5.965 0.348 4.785 1.00 0.00 C ATOM 906 CG1 ILE A 59 -6.858 1.628 4.802 1.00 0.00 C ATOM 907 CG2 ILE A 59 -6.723 -0.780 4.038 1.00 0.00 C ATOM 908 CD1 ILE A 59 -7.090 2.304 3.443 1.00 0.00 C ATOM 0 H ILE A 59 -3.727 1.027 6.538 1.00 0.00 H new ATOM 0 HA ILE A 59 -6.418 -0.299 6.757 1.00 0.00 H new ATOM 0 HB ILE A 59 -5.043 0.585 4.254 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -7.828 1.365 5.225 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -6.403 2.355 5.475 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -7.031 -0.422 3.056 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -6.068 -1.643 3.921 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -7.604 -1.068 4.612 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -7.723 3.181 3.576 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -6.133 2.608 3.020 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -7.579 1.603 2.767 1.00 0.00 H new ATOM 920 N GLN A 60 -5.115 -2.471 6.841 1.00 0.00 N ATOM 921 CA GLN A 60 -4.488 -3.820 6.802 1.00 0.00 C ATOM 922 C GLN A 60 -5.365 -4.764 5.923 1.00 0.00 C ATOM 923 O GLN A 60 -6.577 -4.897 6.127 1.00 0.00 O ATOM 924 CB GLN A 60 -4.307 -4.332 8.254 1.00 0.00 C ATOM 925 CG GLN A 60 -3.482 -5.633 8.384 1.00 0.00 C ATOM 926 CD GLN A 60 -3.092 -5.959 9.834 1.00 0.00 C ATOM 927 OE1 GLN A 60 -2.042 -5.536 10.320 1.00 0.00 O ATOM 928 NE2 GLN A 60 -3.909 -6.719 10.548 1.00 0.00 N ATOM 0 H GLN A 60 -5.966 -2.434 7.402 1.00 0.00 H new ATOM 0 HA GLN A 60 -3.498 -3.787 6.346 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -3.824 -3.552 8.842 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -5.292 -4.497 8.692 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -4.057 -6.463 7.974 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -2.577 -5.544 7.782 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -4.776 -7.064 10.135 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -3.671 -6.959 11.510 1.00 0.00 H new ATOM 937 N ASN A 61 -4.714 -5.402 4.938 1.00 0.00 N ATOM 938 CA ASN A 61 -5.386 -6.181 3.858 1.00 0.00 C ATOM 939 C ASN A 61 -4.584 -7.485 3.570 1.00 0.00 C ATOM 940 O ASN A 61 -3.348 -7.494 3.587 1.00 0.00 O ATOM 941 CB ASN A 61 -5.484 -5.309 2.577 1.00 0.00 C ATOM 942 CG ASN A 61 -6.564 -4.206 2.554 1.00 0.00 C ATOM 943 OD1 ASN A 61 -7.526 -4.192 3.323 1.00 0.00 O ATOM 944 ND2 ASN A 61 -6.437 -3.272 1.625 1.00 0.00 N ATOM 0 H ASN A 61 -3.697 -5.399 4.858 1.00 0.00 H new ATOM 0 HA ASN A 61 -6.391 -6.456 4.177 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -4.515 -4.836 2.415 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -5.660 -5.972 1.730 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -7.138 -2.535 1.543 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -5.638 -3.289 0.991 1.00 0.00 H new ATOM 951 N GLU A 62 -5.313 -8.583 3.287 1.00 0.00 N ATOM 952 CA GLU A 62 -4.724 -9.932 3.059 1.00 0.00 C ATOM 953 C GLU A 62 -5.212 -10.519 1.702 1.00 0.00 C ATOM 954 O GLU A 62 -6.337 -10.278 1.247 1.00 0.00 O ATOM 955 CB GLU A 62 -5.087 -10.894 4.227 1.00 0.00 C ATOM 956 CG GLU A 62 -4.360 -10.594 5.554 1.00 0.00 C ATOM 957 CD GLU A 62 -4.672 -11.606 6.658 1.00 0.00 C ATOM 958 OE1 GLU A 62 -5.660 -11.407 7.399 1.00 0.00 O ATOM 959 OE2 GLU A 62 -3.930 -12.603 6.792 1.00 0.00 O ATOM 0 H GLU A 62 -6.330 -8.567 3.208 1.00 0.00 H new ATOM 0 HA GLU A 62 -3.640 -9.829 3.022 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -6.162 -10.847 4.398 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -4.857 -11.915 3.924 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -3.285 -10.581 5.376 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -4.639 -9.597 5.895 1.00 0.00 H new ATOM 966 N PHE A 63 -4.334 -11.330 1.083 1.00 0.00 N ATOM 967 CA PHE A 63 -4.618 -12.023 -0.205 1.00 0.00 C ATOM 968 C PHE A 63 -3.823 -13.351 -0.325 1.00 0.00 C ATOM 969 O PHE A 63 -2.651 -13.438 0.056 1.00 0.00 O ATOM 970 CB PHE A 63 -4.382 -11.120 -1.454 1.00 0.00 C ATOM 971 CG PHE A 63 -2.967 -10.560 -1.694 1.00 0.00 C ATOM 972 CD1 PHE A 63 -2.584 -9.351 -1.102 1.00 0.00 C ATOM 973 CD2 PHE A 63 -2.054 -11.245 -2.506 1.00 0.00 C ATOM 974 CE1 PHE A 63 -1.309 -8.838 -1.319 1.00 0.00 C ATOM 975 CE2 PHE A 63 -0.781 -10.724 -2.721 1.00 0.00 C ATOM 976 CZ PHE A 63 -0.411 -9.524 -2.122 1.00 0.00 C ATOM 0 H PHE A 63 -3.405 -11.529 1.455 1.00 0.00 H new ATOM 0 HA PHE A 63 -5.682 -12.258 -0.188 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -4.667 -11.693 -2.337 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -5.067 -10.275 -1.387 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -3.280 -8.814 -0.475 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -2.338 -12.180 -2.966 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -1.018 -7.904 -0.861 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -0.081 -11.251 -3.352 1.00 0.00 H new ATOM 0 HZ PHE A 63 0.580 -9.125 -2.283 1.00 0.00 H new ATOM 986 N THR A 64 -4.460 -14.351 -0.959 1.00 0.00 N ATOM 987 CA THR A 64 -3.766 -15.564 -1.471 1.00 0.00 C ATOM 988 C THR A 64 -3.593 -15.386 -3.012 1.00 0.00 C ATOM 989 O THR A 64 -4.541 -15.042 -3.728 1.00 0.00 O ATOM 990 CB THR A 64 -4.548 -16.852 -1.079 1.00 0.00 C ATOM 991 OG1 THR A 64 -4.721 -16.907 0.335 1.00 0.00 O ATOM 992 CG2 THR A 64 -3.844 -18.158 -1.491 1.00 0.00 C ATOM 0 H THR A 64 -5.465 -14.350 -1.134 1.00 0.00 H new ATOM 0 HA THR A 64 -2.780 -15.681 -1.021 1.00 0.00 H new ATOM 0 HB THR A 64 -5.496 -16.785 -1.613 1.00 0.00 H new ATOM 0 HG1 THR A 64 -4.180 -17.637 0.703 1.00 0.00 H new ATOM 0 HG21 THR A 64 -4.450 -19.010 -1.184 1.00 0.00 H new ATOM 0 HG22 THR A 64 -3.715 -18.176 -2.573 1.00 0.00 H new ATOM 0 HG23 THR A 64 -2.868 -18.213 -1.008 1.00 0.00 H new ATOM 1000 N VAL A 65 -2.368 -15.643 -3.512 1.00 0.00 N ATOM 1001 CA VAL A 65 -2.002 -15.422 -4.944 1.00 0.00 C ATOM 1002 C VAL A 65 -2.609 -16.559 -5.829 1.00 0.00 C ATOM 1003 O VAL A 65 -2.504 -17.748 -5.515 1.00 0.00 O ATOM 1004 CB VAL A 65 -0.451 -15.242 -5.101 1.00 0.00 C ATOM 1005 CG1 VAL A 65 0.049 -15.191 -6.564 1.00 0.00 C ATOM 1006 CG2 VAL A 65 0.069 -13.959 -4.411 1.00 0.00 C ATOM 0 H VAL A 65 -1.602 -16.008 -2.946 1.00 0.00 H new ATOM 0 HA VAL A 65 -2.438 -14.489 -5.302 1.00 0.00 H new ATOM 0 HB VAL A 65 -0.057 -16.138 -4.622 1.00 0.00 H new ATOM 0 HG11 VAL A 65 1.132 -15.065 -6.574 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -0.213 -16.120 -7.071 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -0.419 -14.352 -7.079 1.00 0.00 H new ATOM 0 HG21 VAL A 65 1.147 -13.883 -4.550 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -0.416 -13.087 -4.851 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -0.158 -14.001 -3.346 1.00 0.00 H new ATOM 1016 N GLY A 66 -3.261 -16.145 -6.929 1.00 0.00 N ATOM 1017 CA GLY A 66 -4.096 -17.048 -7.758 1.00 0.00 C ATOM 1018 C GLY A 66 -5.551 -17.344 -7.303 1.00 0.00 C ATOM 1019 O GLY A 66 -6.197 -18.189 -7.927 1.00 0.00 O ATOM 0 H GLY A 66 -3.229 -15.185 -7.271 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -4.143 -16.626 -8.762 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -3.574 -18.001 -7.837 1.00 0.00 H new ATOM 1023 N GLU A 67 -6.058 -16.680 -6.244 1.00 0.00 N ATOM 1024 CA GLU A 67 -7.398 -16.942 -5.658 1.00 0.00 C ATOM 1025 C GLU A 67 -8.070 -15.575 -5.343 1.00 0.00 C ATOM 1026 O GLU A 67 -7.424 -14.629 -4.871 1.00 0.00 O ATOM 1027 CB GLU A 67 -7.274 -17.811 -4.375 1.00 0.00 C ATOM 1028 CG GLU A 67 -6.855 -19.279 -4.625 1.00 0.00 C ATOM 1029 CD GLU A 67 -6.741 -20.114 -3.347 1.00 0.00 C ATOM 1030 OE1 GLU A 67 -7.771 -20.338 -2.673 1.00 0.00 O ATOM 1031 OE2 GLU A 67 -5.621 -20.562 -3.017 1.00 0.00 O ATOM 0 H GLU A 67 -5.547 -15.939 -5.764 1.00 0.00 H new ATOM 0 HA GLU A 67 -8.013 -17.497 -6.367 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -6.546 -17.348 -3.709 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -8.232 -17.805 -3.855 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -7.581 -19.746 -5.290 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -5.896 -19.290 -5.142 1.00 0.00 H new ATOM 1038 N GLU A 68 -9.391 -15.487 -5.596 1.00 0.00 N ATOM 1039 CA GLU A 68 -10.158 -14.218 -5.482 1.00 0.00 C ATOM 1040 C GLU A 68 -10.445 -13.870 -3.989 1.00 0.00 C ATOM 1041 O GLU A 68 -11.099 -14.636 -3.274 1.00 0.00 O ATOM 1042 CB GLU A 68 -11.441 -14.337 -6.348 1.00 0.00 C ATOM 1043 CG GLU A 68 -12.073 -12.975 -6.688 1.00 0.00 C ATOM 1044 CD GLU A 68 -13.331 -13.083 -7.551 1.00 0.00 C ATOM 1045 OE1 GLU A 68 -14.424 -13.346 -7.000 1.00 0.00 O ATOM 1046 OE2 GLU A 68 -13.234 -12.901 -8.784 1.00 0.00 O ATOM 0 H GLU A 68 -9.958 -16.284 -5.884 1.00 0.00 H new ATOM 0 HA GLU A 68 -9.573 -13.382 -5.864 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -11.199 -14.859 -7.274 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -12.173 -14.948 -5.819 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -12.321 -12.457 -5.761 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -11.337 -12.362 -7.208 1.00 0.00 H new ATOM 1053 N CYS A 69 -9.893 -12.729 -3.537 1.00 0.00 N ATOM 1054 CA CYS A 69 -9.729 -12.408 -2.095 1.00 0.00 C ATOM 1055 C CYS A 69 -10.343 -11.037 -1.709 1.00 0.00 C ATOM 1056 O CYS A 69 -10.357 -10.076 -2.487 1.00 0.00 O ATOM 1057 CB CYS A 69 -8.222 -12.429 -1.761 1.00 0.00 C ATOM 1058 SG CYS A 69 -7.274 -11.337 -2.873 1.00 0.00 S ATOM 0 H CYS A 69 -9.545 -11.998 -4.158 1.00 0.00 H new ATOM 0 HA CYS A 69 -10.268 -13.158 -1.516 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -8.073 -12.115 -0.728 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -7.845 -13.448 -1.842 1.00 0.00 H new ATOM 0 HG CYS A 69 -7.866 -11.275 -4.029 1.00 0.00 H new ATOM 1064 N GLU A 70 -10.806 -10.963 -0.449 1.00 0.00 N ATOM 1065 CA GLU A 70 -11.455 -9.759 0.127 1.00 0.00 C ATOM 1066 C GLU A 70 -10.399 -8.757 0.677 1.00 0.00 C ATOM 1067 O GLU A 70 -9.634 -9.074 1.594 1.00 0.00 O ATOM 1068 CB GLU A 70 -12.440 -10.220 1.234 1.00 0.00 C ATOM 1069 CG GLU A 70 -13.819 -10.686 0.721 1.00 0.00 C ATOM 1070 CD GLU A 70 -14.769 -9.544 0.339 1.00 0.00 C ATOM 1071 OE1 GLU A 70 -14.645 -9.000 -0.779 1.00 0.00 O ATOM 1072 OE2 GLU A 70 -15.639 -9.179 1.160 1.00 0.00 O ATOM 0 H GLU A 70 -10.743 -11.740 0.208 1.00 0.00 H new ATOM 0 HA GLU A 70 -12.005 -9.228 -0.649 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -11.981 -11.036 1.792 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -12.588 -9.398 1.935 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -13.673 -11.327 -0.148 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -14.293 -11.295 1.491 1.00 0.00 H new ATOM 1079 N LEU A 71 -10.389 -7.544 0.101 1.00 0.00 N ATOM 1080 CA LEU A 71 -9.520 -6.421 0.555 1.00 0.00 C ATOM 1081 C LEU A 71 -10.198 -5.063 0.225 1.00 0.00 C ATOM 1082 O LEU A 71 -10.826 -4.891 -0.825 1.00 0.00 O ATOM 1083 CB LEU A 71 -8.049 -6.454 0.053 1.00 0.00 C ATOM 1084 CG LEU A 71 -7.769 -6.797 -1.437 1.00 0.00 C ATOM 1085 CD1 LEU A 71 -6.683 -5.898 -2.060 1.00 0.00 C ATOM 1086 CD2 LEU A 71 -7.364 -8.275 -1.552 1.00 0.00 C ATOM 0 H LEU A 71 -10.980 -7.304 -0.695 1.00 0.00 H new ATOM 0 HA LEU A 71 -9.426 -6.549 1.633 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -7.611 -5.476 0.254 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -7.509 -7.177 0.664 1.00 0.00 H new ATOM 0 HG LEU A 71 -8.687 -6.613 -1.996 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -6.529 -6.182 -3.101 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -7.001 -4.857 -2.011 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -5.750 -6.019 -1.509 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -7.167 -8.518 -2.596 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -6.465 -8.453 -0.962 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -8.173 -8.904 -1.179 1.00 0.00 H new ATOM 1098 N GLU A 72 -10.039 -4.089 1.143 1.00 0.00 N ATOM 1099 CA GLU A 72 -10.745 -2.786 1.072 1.00 0.00 C ATOM 1100 C GLU A 72 -9.899 -1.739 0.299 1.00 0.00 C ATOM 1101 O GLU A 72 -8.746 -1.465 0.647 1.00 0.00 O ATOM 1102 CB GLU A 72 -11.101 -2.305 2.506 1.00 0.00 C ATOM 1103 CG GLU A 72 -12.173 -1.193 2.544 1.00 0.00 C ATOM 1104 CD GLU A 72 -12.522 -0.743 3.962 1.00 0.00 C ATOM 1105 OE1 GLU A 72 -13.440 -1.333 4.575 1.00 0.00 O ATOM 1106 OE2 GLU A 72 -11.883 0.204 4.471 1.00 0.00 O ATOM 0 H GLU A 72 -9.423 -4.178 1.951 1.00 0.00 H new ATOM 0 HA GLU A 72 -11.675 -2.910 0.517 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -11.454 -3.157 3.087 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -10.196 -1.941 2.992 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -11.817 -0.334 1.974 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -13.077 -1.551 2.050 1.00 0.00 H new ATOM 1113 N THR A 73 -10.521 -1.107 -0.713 1.00 0.00 N ATOM 1114 CA THR A 73 -9.940 0.067 -1.429 1.00 0.00 C ATOM 1115 C THR A 73 -9.873 1.352 -0.536 1.00 0.00 C ATOM 1116 O THR A 73 -10.370 1.389 0.597 1.00 0.00 O ATOM 1117 CB THR A 73 -10.693 0.243 -2.789 1.00 0.00 C ATOM 1118 OG1 THR A 73 -10.037 1.195 -3.619 1.00 0.00 O ATOM 1119 CG2 THR A 73 -12.187 0.625 -2.714 1.00 0.00 C ATOM 0 H THR A 73 -11.437 -1.386 -1.064 1.00 0.00 H new ATOM 0 HA THR A 73 -8.891 -0.119 -1.658 1.00 0.00 H new ATOM 0 HB THR A 73 -10.661 -0.763 -3.208 1.00 0.00 H new ATOM 0 HG1 THR A 73 -10.526 1.285 -4.463 1.00 0.00 H new ATOM 0 HG21 THR A 73 -12.590 0.716 -3.723 1.00 0.00 H new ATOM 0 HG22 THR A 73 -12.733 -0.148 -2.173 1.00 0.00 H new ATOM 0 HG23 THR A 73 -12.294 1.577 -2.193 1.00 0.00 H new ATOM 1127 N MET A 74 -9.242 2.407 -1.078 1.00 0.00 N ATOM 1128 CA MET A 74 -9.148 3.735 -0.393 1.00 0.00 C ATOM 1129 C MET A 74 -10.393 4.655 -0.648 1.00 0.00 C ATOM 1130 O MET A 74 -10.273 5.814 -1.052 1.00 0.00 O ATOM 1131 CB MET A 74 -7.793 4.407 -0.761 1.00 0.00 C ATOM 1132 CG MET A 74 -6.548 3.750 -0.141 1.00 0.00 C ATOM 1133 SD MET A 74 -5.071 4.707 -0.554 1.00 0.00 S ATOM 1134 CE MET A 74 -4.996 5.887 0.813 1.00 0.00 C ATOM 0 H MET A 74 -8.785 2.379 -1.989 1.00 0.00 H new ATOM 0 HA MET A 74 -9.166 3.570 0.684 1.00 0.00 H new ATOM 0 HB2 MET A 74 -7.685 4.401 -1.846 1.00 0.00 H new ATOM 0 HB3 MET A 74 -7.827 5.451 -0.449 1.00 0.00 H new ATOM 0 HG2 MET A 74 -6.660 3.689 0.941 1.00 0.00 H new ATOM 0 HG3 MET A 74 -6.444 2.729 -0.509 1.00 0.00 H new ATOM 0 HE1 MET A 74 -4.132 6.539 0.684 1.00 0.00 H new ATOM 0 HE2 MET A 74 -5.905 6.488 0.825 1.00 0.00 H new ATOM 0 HE3 MET A 74 -4.906 5.347 1.755 1.00 0.00 H new ATOM 1144 N THR A 75 -11.596 4.132 -0.344 1.00 0.00 N ATOM 1145 CA THR A 75 -12.880 4.879 -0.362 1.00 0.00 C ATOM 1146 C THR A 75 -13.767 4.169 0.712 1.00 0.00 C ATOM 1147 O THR A 75 -13.901 4.695 1.821 1.00 0.00 O ATOM 1148 CB THR A 75 -13.501 4.995 -1.792 1.00 0.00 C ATOM 1149 OG1 THR A 75 -12.602 5.649 -2.678 1.00 0.00 O ATOM 1150 CG2 THR A 75 -14.814 5.791 -1.825 1.00 0.00 C ATOM 0 H THR A 75 -11.711 3.156 -0.072 1.00 0.00 H new ATOM 0 HA THR A 75 -12.760 5.931 -0.105 1.00 0.00 H new ATOM 0 HB THR A 75 -13.699 3.968 -2.099 1.00 0.00 H new ATOM 0 HG1 THR A 75 -11.790 5.902 -2.192 1.00 0.00 H new ATOM 0 HG21 THR A 75 -15.189 5.832 -2.848 1.00 0.00 H new ATOM 0 HG22 THR A 75 -15.551 5.303 -1.187 1.00 0.00 H new ATOM 0 HG23 THR A 75 -14.635 6.804 -1.464 1.00 0.00 H new ATOM 1158 N GLY A 76 -14.336 2.985 0.400 1.00 0.00 N ATOM 1159 CA GLY A 76 -15.051 2.155 1.391 1.00 0.00 C ATOM 1160 C GLY A 76 -15.841 1.020 0.716 1.00 0.00 C ATOM 1161 O GLY A 76 -17.069 1.107 0.620 1.00 0.00 O ATOM 0 H GLY A 76 -14.313 2.581 -0.536 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -14.335 1.732 2.096 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -15.733 2.781 1.967 1.00 0.00 H new ATOM 1165 N GLU A 77 -15.138 -0.035 0.258 1.00 0.00 N ATOM 1166 CA GLU A 77 -15.773 -1.204 -0.401 1.00 0.00 C ATOM 1167 C GLU A 77 -14.826 -2.421 -0.223 1.00 0.00 C ATOM 1168 O GLU A 77 -13.735 -2.453 -0.803 1.00 0.00 O ATOM 1169 CB GLU A 77 -16.072 -0.914 -1.903 1.00 0.00 C ATOM 1170 CG GLU A 77 -16.950 -1.986 -2.581 1.00 0.00 C ATOM 1171 CD GLU A 77 -17.265 -1.664 -4.043 1.00 0.00 C ATOM 1172 OE1 GLU A 77 -18.251 -0.939 -4.303 1.00 0.00 O ATOM 1173 OE2 GLU A 77 -16.529 -2.134 -4.939 1.00 0.00 O ATOM 0 H GLU A 77 -14.123 -0.105 0.331 1.00 0.00 H new ATOM 0 HA GLU A 77 -16.737 -1.420 0.060 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -16.568 0.053 -1.985 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -15.129 -0.836 -2.443 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -16.443 -2.949 -2.528 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -17.884 -2.086 -2.028 1.00 0.00 H new ATOM 1180 N LYS A 78 -15.278 -3.437 0.543 1.00 0.00 N ATOM 1181 CA LYS A 78 -14.537 -4.712 0.726 1.00 0.00 C ATOM 1182 C LYS A 78 -14.809 -5.630 -0.499 1.00 0.00 C ATOM 1183 O LYS A 78 -15.882 -6.232 -0.619 1.00 0.00 O ATOM 1184 CB LYS A 78 -14.962 -5.340 2.085 1.00 0.00 C ATOM 1185 CG LYS A 78 -14.026 -6.435 2.642 1.00 0.00 C ATOM 1186 CD LYS A 78 -12.719 -5.883 3.247 1.00 0.00 C ATOM 1187 CE LYS A 78 -11.837 -6.952 3.915 1.00 0.00 C ATOM 1188 NZ LYS A 78 -10.582 -6.365 4.417 1.00 0.00 N ATOM 0 H LYS A 78 -16.162 -3.401 1.051 1.00 0.00 H new ATOM 0 HA LYS A 78 -13.459 -4.557 0.769 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -15.037 -4.543 2.824 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -15.959 -5.765 1.971 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -14.558 -7.002 3.405 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -13.779 -7.132 1.841 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -12.145 -5.393 2.460 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -12.966 -5.119 3.984 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -12.381 -7.414 4.739 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -11.612 -7.742 3.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -10.006 -7.107 4.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -10.054 -5.945 3.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -10.799 -5.628 5.118 1.00 0.00 H new ATOM 1202 N VAL A 79 -13.847 -5.642 -1.438 1.00 0.00 N ATOM 1203 CA VAL A 79 -14.094 -6.041 -2.850 1.00 0.00 C ATOM 1204 C VAL A 79 -13.263 -7.311 -3.212 1.00 0.00 C ATOM 1205 O VAL A 79 -12.078 -7.433 -2.880 1.00 0.00 O ATOM 1206 CB VAL A 79 -13.889 -4.801 -3.787 1.00 0.00 C ATOM 1207 CG1 VAL A 79 -12.444 -4.262 -3.906 1.00 0.00 C ATOM 1208 CG2 VAL A 79 -14.477 -5.029 -5.193 1.00 0.00 C ATOM 0 H VAL A 79 -12.880 -5.379 -1.250 1.00 0.00 H new ATOM 0 HA VAL A 79 -15.129 -6.347 -2.999 1.00 0.00 H new ATOM 0 HB VAL A 79 -14.447 -4.020 -3.269 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -12.429 -3.406 -4.580 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -12.088 -3.956 -2.922 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -11.795 -5.044 -4.299 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -14.310 -4.143 -5.805 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -13.990 -5.887 -5.656 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -15.547 -5.219 -5.113 1.00 0.00 H new ATOM 1218 N LYS A 80 -13.928 -8.242 -3.920 1.00 0.00 N ATOM 1219 CA LYS A 80 -13.343 -9.548 -4.324 1.00 0.00 C ATOM 1220 C LYS A 80 -12.476 -9.373 -5.603 1.00 0.00 C ATOM 1221 O LYS A 80 -12.970 -8.904 -6.637 1.00 0.00 O ATOM 1222 CB LYS A 80 -14.483 -10.578 -4.549 1.00 0.00 C ATOM 1223 CG LYS A 80 -15.219 -11.025 -3.268 1.00 0.00 C ATOM 1224 CD LYS A 80 -16.231 -12.164 -3.509 1.00 0.00 C ATOM 1225 CE LYS A 80 -16.946 -12.655 -2.235 1.00 0.00 C ATOM 1226 NZ LYS A 80 -16.064 -13.432 -1.341 1.00 0.00 N ATOM 0 H LYS A 80 -14.891 -8.116 -4.233 1.00 0.00 H new ATOM 0 HA LYS A 80 -12.694 -9.921 -3.532 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -15.211 -10.148 -5.237 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -14.066 -11.459 -5.037 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -14.485 -11.351 -2.531 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -15.741 -10.169 -2.841 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -16.980 -11.824 -4.224 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -15.711 -13.005 -3.968 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -17.339 -11.796 -1.692 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -17.800 -13.270 -2.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -16.599 -13.735 -0.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -15.708 -14.269 -1.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -15.262 -12.840 -1.044 1.00 0.00 H new ATOM 1240 N THR A 81 -11.175 -9.713 -5.503 1.00 0.00 N ATOM 1241 CA THR A 81 -10.165 -9.365 -6.541 1.00 0.00 C ATOM 1242 C THR A 81 -9.053 -10.454 -6.629 1.00 0.00 C ATOM 1243 O THR A 81 -8.523 -10.898 -5.606 1.00 0.00 O ATOM 1244 CB THR A 81 -9.627 -7.921 -6.300 1.00 0.00 C ATOM 1245 OG1 THR A 81 -8.988 -7.467 -7.484 1.00 0.00 O ATOM 1246 CG2 THR A 81 -8.681 -7.694 -5.105 1.00 0.00 C ATOM 0 H THR A 81 -10.791 -10.231 -4.713 1.00 0.00 H new ATOM 0 HA THR A 81 -10.635 -9.357 -7.524 1.00 0.00 H new ATOM 0 HB THR A 81 -10.519 -7.352 -6.036 1.00 0.00 H new ATOM 0 HG1 THR A 81 -8.020 -7.597 -7.404 1.00 0.00 H new ATOM 0 HG21 THR A 81 -8.391 -6.644 -5.065 1.00 0.00 H new ATOM 0 HG22 THR A 81 -9.191 -7.965 -4.181 1.00 0.00 H new ATOM 0 HG23 THR A 81 -7.791 -8.312 -5.223 1.00 0.00 H new ATOM 1254 N VAL A 82 -8.681 -10.850 -7.863 1.00 0.00 N ATOM 1255 CA VAL A 82 -7.622 -11.877 -8.109 1.00 0.00 C ATOM 1256 C VAL A 82 -6.260 -11.126 -8.192 1.00 0.00 C ATOM 1257 O VAL A 82 -6.056 -10.287 -9.078 1.00 0.00 O ATOM 1258 CB VAL A 82 -7.905 -12.740 -9.392 1.00 0.00 C ATOM 1259 CG1 VAL A 82 -6.805 -13.798 -9.670 1.00 0.00 C ATOM 1260 CG2 VAL A 82 -9.258 -13.488 -9.356 1.00 0.00 C ATOM 0 H VAL A 82 -9.096 -10.477 -8.717 1.00 0.00 H new ATOM 0 HA VAL A 82 -7.606 -12.597 -7.290 1.00 0.00 H new ATOM 0 HB VAL A 82 -7.922 -11.996 -10.188 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -7.060 -14.360 -10.569 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -5.847 -13.298 -9.814 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -6.734 -14.480 -8.823 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -9.381 -14.061 -10.275 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -9.277 -14.164 -8.501 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -10.070 -12.767 -9.266 1.00 0.00 H new ATOM 1270 N VAL A 83 -5.336 -11.473 -7.279 1.00 0.00 N ATOM 1271 CA VAL A 83 -3.956 -10.912 -7.263 1.00 0.00 C ATOM 1272 C VAL A 83 -3.026 -12.027 -7.823 1.00 0.00 C ATOM 1273 O VAL A 83 -2.857 -13.065 -7.178 1.00 0.00 O ATOM 1274 CB VAL A 83 -3.516 -10.416 -5.839 1.00 0.00 C ATOM 1275 CG1 VAL A 83 -2.183 -9.636 -5.923 1.00 0.00 C ATOM 1276 CG2 VAL A 83 -4.544 -9.542 -5.078 1.00 0.00 C ATOM 0 H VAL A 83 -5.514 -12.145 -6.532 1.00 0.00 H new ATOM 0 HA VAL A 83 -3.900 -10.016 -7.881 1.00 0.00 H new ATOM 0 HB VAL A 83 -3.416 -11.337 -5.264 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -1.894 -9.300 -4.927 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -1.406 -10.286 -6.326 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -2.308 -8.772 -6.575 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -4.134 -9.258 -4.109 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -4.759 -8.645 -5.658 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -5.464 -10.108 -4.931 1.00 0.00 H new ATOM 1286 N GLN A 84 -2.438 -11.810 -9.014 1.00 0.00 N ATOM 1287 CA GLN A 84 -1.589 -12.828 -9.699 1.00 0.00 C ATOM 1288 C GLN A 84 -0.129 -12.329 -9.835 1.00 0.00 C ATOM 1289 O GLN A 84 0.134 -11.155 -10.106 1.00 0.00 O ATOM 1290 CB GLN A 84 -2.184 -13.170 -11.089 1.00 0.00 C ATOM 1291 CG GLN A 84 -1.735 -14.502 -11.740 1.00 0.00 C ATOM 1292 CD GLN A 84 -2.201 -15.771 -10.999 1.00 0.00 C ATOM 1293 OE1 GLN A 84 -1.573 -16.220 -10.042 1.00 0.00 O ATOM 1294 NE2 GLN A 84 -3.303 -16.372 -11.425 1.00 0.00 N ATOM 0 H GLN A 84 -2.530 -10.936 -9.532 1.00 0.00 H new ATOM 0 HA GLN A 84 -1.577 -13.733 -9.092 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -3.270 -13.187 -10.997 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -1.935 -12.358 -11.773 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -2.112 -14.536 -12.762 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -0.647 -14.512 -11.801 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -3.817 -15.991 -12.220 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -3.637 -17.215 -10.958 1.00 0.00 H new ATOM 1303 N LEU A 85 0.808 -13.274 -9.691 1.00 0.00 N ATOM 1304 CA LEU A 85 2.262 -13.008 -9.745 1.00 0.00 C ATOM 1305 C LEU A 85 2.827 -13.425 -11.134 1.00 0.00 C ATOM 1306 O LEU A 85 2.598 -14.544 -11.607 1.00 0.00 O ATOM 1307 CB LEU A 85 2.927 -13.754 -8.555 1.00 0.00 C ATOM 1308 CG LEU A 85 4.458 -13.577 -8.399 1.00 0.00 C ATOM 1309 CD1 LEU A 85 4.894 -12.107 -8.213 1.00 0.00 C ATOM 1310 CD2 LEU A 85 5.005 -14.435 -7.243 1.00 0.00 C ATOM 0 H LEU A 85 0.582 -14.256 -9.532 1.00 0.00 H new ATOM 0 HA LEU A 85 2.482 -11.945 -9.642 1.00 0.00 H new ATOM 0 HB2 LEU A 85 2.449 -13.421 -7.634 1.00 0.00 H new ATOM 0 HB3 LEU A 85 2.715 -14.818 -8.658 1.00 0.00 H new ATOM 0 HG LEU A 85 4.887 -13.920 -9.341 1.00 0.00 H new ATOM 0 HD11 LEU A 85 5.978 -12.059 -8.110 1.00 0.00 H new ATOM 0 HD12 LEU A 85 4.586 -11.523 -9.080 1.00 0.00 H new ATOM 0 HD13 LEU A 85 4.426 -11.699 -7.317 1.00 0.00 H new ATOM 0 HD21 LEU A 85 6.082 -14.289 -7.159 1.00 0.00 H new ATOM 0 HD22 LEU A 85 4.525 -14.138 -6.311 1.00 0.00 H new ATOM 0 HD23 LEU A 85 4.796 -15.487 -7.440 1.00 0.00 H new ATOM 1322 N GLU A 86 3.598 -12.509 -11.745 1.00 0.00 N ATOM 1323 CA GLU A 86 4.323 -12.757 -13.018 1.00 0.00 C ATOM 1324 C GLU A 86 5.811 -12.349 -12.819 1.00 0.00 C ATOM 1325 O GLU A 86 6.131 -11.220 -12.428 1.00 0.00 O ATOM 1326 CB GLU A 86 3.664 -11.961 -14.171 1.00 0.00 C ATOM 1327 CG GLU A 86 4.114 -12.370 -15.589 1.00 0.00 C ATOM 1328 CD GLU A 86 3.475 -11.497 -16.674 1.00 0.00 C ATOM 1329 OE1 GLU A 86 3.957 -10.364 -16.899 1.00 0.00 O ATOM 1330 OE2 GLU A 86 2.488 -11.938 -17.302 1.00 0.00 O ATOM 0 H GLU A 86 3.741 -11.570 -11.374 1.00 0.00 H new ATOM 0 HA GLU A 86 4.275 -13.812 -13.287 1.00 0.00 H new ATOM 0 HB2 GLU A 86 2.583 -12.079 -14.102 1.00 0.00 H new ATOM 0 HB3 GLU A 86 3.879 -10.902 -14.030 1.00 0.00 H new ATOM 0 HG2 GLU A 86 5.199 -12.297 -15.659 1.00 0.00 H new ATOM 0 HG3 GLU A 86 3.853 -13.414 -15.764 1.00 0.00 H new ATOM 1337 N GLY A 87 6.705 -13.299 -13.117 1.00 0.00 N ATOM 1338 CA GLY A 87 8.177 -13.083 -13.050 1.00 0.00 C ATOM 1339 C GLY A 87 8.895 -12.945 -11.683 1.00 0.00 C ATOM 1340 O GLY A 87 10.048 -12.505 -11.657 1.00 0.00 O ATOM 0 H GLY A 87 6.442 -14.240 -13.412 1.00 0.00 H new ATOM 0 HA2 GLY A 87 8.647 -13.913 -13.577 1.00 0.00 H new ATOM 0 HA3 GLY A 87 8.395 -12.179 -13.619 1.00 0.00 H new ATOM 1344 N ASP A 88 8.216 -13.276 -10.572 1.00 0.00 N ATOM 1345 CA ASP A 88 8.663 -12.952 -9.178 1.00 0.00 C ATOM 1346 C ASP A 88 8.867 -11.423 -8.870 1.00 0.00 C ATOM 1347 O ASP A 88 9.784 -11.041 -8.135 1.00 0.00 O ATOM 1348 CB ASP A 88 9.841 -13.858 -8.705 1.00 0.00 C ATOM 1349 CG ASP A 88 9.503 -15.352 -8.576 1.00 0.00 C ATOM 1350 OD1 ASP A 88 8.853 -15.741 -7.581 1.00 0.00 O ATOM 1351 OD2 ASP A 88 9.881 -16.138 -9.474 1.00 0.00 O ATOM 0 H ASP A 88 7.330 -13.781 -10.601 1.00 0.00 H new ATOM 0 HA ASP A 88 7.809 -13.207 -8.551 1.00 0.00 H new ATOM 0 HB2 ASP A 88 10.668 -13.748 -9.406 1.00 0.00 H new ATOM 0 HB3 ASP A 88 10.192 -13.496 -7.739 1.00 0.00 H new ATOM 1356 N ASN A 89 7.992 -10.553 -9.419 1.00 0.00 N ATOM 1357 CA ASN A 89 8.085 -9.072 -9.282 1.00 0.00 C ATOM 1358 C ASN A 89 6.767 -8.279 -9.575 1.00 0.00 C ATOM 1359 O ASN A 89 6.703 -7.118 -9.169 1.00 0.00 O ATOM 1360 CB ASN A 89 9.286 -8.467 -10.067 1.00 0.00 C ATOM 1361 CG ASN A 89 9.255 -8.484 -11.613 1.00 0.00 C ATOM 1362 OD1 ASN A 89 8.797 -9.434 -12.248 1.00 0.00 O ATOM 1363 ND2 ASN A 89 9.758 -7.435 -12.248 1.00 0.00 N ATOM 0 H ASN A 89 7.192 -10.855 -9.976 1.00 0.00 H new ATOM 0 HA ASN A 89 8.266 -8.937 -8.216 1.00 0.00 H new ATOM 0 HB2 ASN A 89 9.397 -7.430 -9.751 1.00 0.00 H new ATOM 0 HB3 ASN A 89 10.186 -8.994 -9.750 1.00 0.00 H new ATOM 0 HD21 ASN A 89 9.767 -7.412 -13.268 1.00 0.00 H new ATOM 0 HD22 ASN A 89 10.136 -6.651 -11.717 1.00 0.00 H new ATOM 1370 N LYS A 90 5.753 -8.842 -10.270 1.00 0.00 N ATOM 1371 CA LYS A 90 4.558 -8.087 -10.734 1.00 0.00 C ATOM 1372 C LYS A 90 3.285 -8.696 -10.089 1.00 0.00 C ATOM 1373 O LYS A 90 2.772 -9.710 -10.571 1.00 0.00 O ATOM 1374 CB LYS A 90 4.450 -8.141 -12.284 1.00 0.00 C ATOM 1375 CG LYS A 90 5.572 -7.429 -13.069 1.00 0.00 C ATOM 1376 CD LYS A 90 5.466 -7.557 -14.606 1.00 0.00 C ATOM 1377 CE LYS A 90 4.244 -6.903 -15.286 1.00 0.00 C ATOM 1378 NZ LYS A 90 4.228 -5.433 -15.167 1.00 0.00 N ATOM 0 H LYS A 90 5.736 -9.829 -10.526 1.00 0.00 H new ATOM 0 HA LYS A 90 4.655 -7.044 -10.433 1.00 0.00 H new ATOM 0 HB2 LYS A 90 4.428 -9.187 -12.590 1.00 0.00 H new ATOM 0 HB3 LYS A 90 3.496 -7.703 -12.577 1.00 0.00 H new ATOM 0 HG2 LYS A 90 5.567 -6.372 -12.805 1.00 0.00 H new ATOM 0 HG3 LYS A 90 6.533 -7.833 -12.750 1.00 0.00 H new ATOM 0 HD2 LYS A 90 6.367 -7.127 -15.044 1.00 0.00 H new ATOM 0 HD3 LYS A 90 5.465 -8.618 -14.857 1.00 0.00 H new ATOM 0 HE2 LYS A 90 4.235 -7.175 -16.341 1.00 0.00 H new ATOM 0 HE3 LYS A 90 3.332 -7.306 -14.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 3.384 -5.055 -15.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 4.207 -5.166 -14.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 5.082 -5.039 -15.612 1.00 0.00 H new ATOM 1392 N LEU A 91 2.750 -8.054 -9.032 1.00 0.00 N ATOM 1393 CA LEU A 91 1.435 -8.441 -8.444 1.00 0.00 C ATOM 1394 C LEU A 91 0.333 -7.549 -9.078 1.00 0.00 C ATOM 1395 O LEU A 91 0.183 -6.373 -8.727 1.00 0.00 O ATOM 1396 CB LEU A 91 1.443 -8.370 -6.894 1.00 0.00 C ATOM 1397 CG LEU A 91 2.288 -9.446 -6.155 1.00 0.00 C ATOM 1398 CD1 LEU A 91 2.441 -9.062 -4.675 1.00 0.00 C ATOM 1399 CD2 LEU A 91 1.708 -10.872 -6.248 1.00 0.00 C ATOM 0 H LEU A 91 3.199 -7.267 -8.564 1.00 0.00 H new ATOM 0 HA LEU A 91 1.225 -9.485 -8.677 1.00 0.00 H new ATOM 0 HB2 LEU A 91 1.809 -7.387 -6.599 1.00 0.00 H new ATOM 0 HB3 LEU A 91 0.414 -8.445 -6.544 1.00 0.00 H new ATOM 0 HG LEU A 91 3.254 -9.466 -6.659 1.00 0.00 H new ATOM 0 HD11 LEU A 91 3.034 -9.819 -4.162 1.00 0.00 H new ATOM 0 HD12 LEU A 91 2.942 -8.097 -4.599 1.00 0.00 H new ATOM 0 HD13 LEU A 91 1.456 -8.997 -4.212 1.00 0.00 H new ATOM 0 HD21 LEU A 91 2.354 -11.564 -5.708 1.00 0.00 H new ATOM 0 HD22 LEU A 91 0.711 -10.889 -5.808 1.00 0.00 H new ATOM 0 HD23 LEU A 91 1.648 -11.173 -7.294 1.00 0.00 H new ATOM 1411 N VAL A 92 -0.405 -8.130 -10.042 1.00 0.00 N ATOM 1412 CA VAL A 92 -1.383 -7.399 -10.896 1.00 0.00 C ATOM 1413 C VAL A 92 -2.822 -7.730 -10.404 1.00 0.00 C ATOM 1414 O VAL A 92 -3.192 -8.907 -10.317 1.00 0.00 O ATOM 1415 CB VAL A 92 -1.168 -7.692 -12.425 1.00 0.00 C ATOM 1416 CG1 VAL A 92 0.157 -7.097 -12.954 1.00 0.00 C ATOM 1417 CG2 VAL A 92 -1.265 -9.175 -12.862 1.00 0.00 C ATOM 0 H VAL A 92 -0.345 -9.125 -10.258 1.00 0.00 H new ATOM 0 HA VAL A 92 -1.224 -6.325 -10.795 1.00 0.00 H new ATOM 0 HB VAL A 92 -2.023 -7.190 -12.878 1.00 0.00 H new ATOM 0 HG11 VAL A 92 0.261 -7.326 -14.015 1.00 0.00 H new ATOM 0 HG12 VAL A 92 0.152 -6.016 -12.815 1.00 0.00 H new ATOM 0 HG13 VAL A 92 0.994 -7.529 -12.406 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -1.099 -9.249 -13.937 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -0.509 -9.759 -12.337 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -2.255 -9.562 -12.620 1.00 0.00 H new ATOM 1427 N THR A 93 -3.623 -6.694 -10.077 1.00 0.00 N ATOM 1428 CA THR A 93 -5.000 -6.895 -9.537 1.00 0.00 C ATOM 1429 C THR A 93 -5.981 -5.808 -10.063 1.00 0.00 C ATOM 1430 O THR A 93 -5.682 -4.610 -10.054 1.00 0.00 O ATOM 1431 CB THR A 93 -4.987 -7.067 -7.990 1.00 0.00 C ATOM 1432 OG1 THR A 93 -6.267 -7.484 -7.543 1.00 0.00 O ATOM 1433 CG2 THR A 93 -4.549 -5.862 -7.144 1.00 0.00 C ATOM 0 H THR A 93 -3.351 -5.716 -10.173 1.00 0.00 H new ATOM 0 HA THR A 93 -5.392 -7.837 -9.920 1.00 0.00 H new ATOM 0 HB THR A 93 -4.209 -7.814 -7.831 1.00 0.00 H new ATOM 0 HG1 THR A 93 -6.456 -8.383 -7.885 1.00 0.00 H new ATOM 0 HG21 THR A 93 -4.589 -6.126 -6.087 1.00 0.00 H new ATOM 0 HG22 THR A 93 -3.530 -5.582 -7.410 1.00 0.00 H new ATOM 0 HG23 THR A 93 -5.217 -5.022 -7.334 1.00 0.00 H new ATOM 1441 N THR A 94 -7.163 -6.270 -10.511 1.00 0.00 N ATOM 1442 CA THR A 94 -8.210 -5.419 -11.142 1.00 0.00 C ATOM 1443 C THR A 94 -9.586 -5.733 -10.484 1.00 0.00 C ATOM 1444 O THR A 94 -9.950 -6.898 -10.283 1.00 0.00 O ATOM 1445 CB THR A 94 -8.195 -5.589 -12.692 1.00 0.00 C ATOM 1446 OG1 THR A 94 -9.033 -4.603 -13.285 1.00 0.00 O ATOM 1447 CG2 THR A 94 -8.595 -6.968 -13.254 1.00 0.00 C ATOM 0 H THR A 94 -7.429 -7.253 -10.448 1.00 0.00 H new ATOM 0 HA THR A 94 -8.005 -4.363 -10.965 1.00 0.00 H new ATOM 0 HB THR A 94 -7.143 -5.475 -12.953 1.00 0.00 H new ATOM 0 HG1 THR A 94 -9.023 -4.708 -14.259 1.00 0.00 H new ATOM 0 HG21 THR A 94 -8.541 -6.947 -14.342 1.00 0.00 H new ATOM 0 HG22 THR A 94 -7.914 -7.728 -12.872 1.00 0.00 H new ATOM 0 HG23 THR A 94 -9.613 -7.205 -12.946 1.00 0.00 H new ATOM 1455 N PHE A 95 -10.339 -4.670 -10.151 1.00 0.00 N ATOM 1456 CA PHE A 95 -11.591 -4.779 -9.352 1.00 0.00 C ATOM 1457 C PHE A 95 -12.691 -3.884 -9.987 1.00 0.00 C ATOM 1458 O PHE A 95 -13.104 -4.166 -11.117 1.00 0.00 O ATOM 1459 CB PHE A 95 -11.325 -4.701 -7.812 1.00 0.00 C ATOM 1460 CG PHE A 95 -10.374 -3.626 -7.235 1.00 0.00 C ATOM 1461 CD1 PHE A 95 -8.997 -3.881 -7.150 1.00 0.00 C ATOM 1462 CD2 PHE A 95 -10.879 -2.429 -6.717 1.00 0.00 C ATOM 1463 CE1 PHE A 95 -8.144 -2.955 -6.553 1.00 0.00 C ATOM 1464 CE2 PHE A 95 -10.026 -1.511 -6.111 1.00 0.00 C ATOM 1465 CZ PHE A 95 -8.661 -1.777 -6.024 1.00 0.00 C ATOM 0 H PHE A 95 -10.107 -3.714 -10.421 1.00 0.00 H new ATOM 0 HA PHE A 95 -12.024 -5.778 -9.408 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -12.291 -4.572 -7.324 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -10.939 -5.672 -7.502 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -8.596 -4.801 -7.550 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -11.935 -2.216 -6.788 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -7.083 -3.152 -6.501 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -10.423 -0.591 -5.708 1.00 0.00 H new ATOM 0 HZ PHE A 95 -8.003 -1.067 -5.545 1.00 0.00 H new ATOM 1475 N LYS A 96 -13.185 -2.843 -9.291 1.00 0.00 N ATOM 1476 CA LYS A 96 -14.264 -1.955 -9.805 1.00 0.00 C ATOM 1477 C LYS A 96 -13.728 -1.000 -10.918 1.00 0.00 C ATOM 1478 O LYS A 96 -14.095 -1.166 -12.084 1.00 0.00 O ATOM 1479 CB LYS A 96 -14.963 -1.254 -8.602 1.00 0.00 C ATOM 1480 CG LYS A 96 -16.241 -0.469 -8.975 1.00 0.00 C ATOM 1481 CD LYS A 96 -16.897 0.238 -7.774 1.00 0.00 C ATOM 1482 CE LYS A 96 -18.125 1.072 -8.182 1.00 0.00 C ATOM 1483 NZ LYS A 96 -18.733 1.746 -7.020 1.00 0.00 N ATOM 0 H LYS A 96 -12.855 -2.588 -8.360 1.00 0.00 H new ATOM 0 HA LYS A 96 -15.036 -2.535 -10.310 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -15.219 -2.007 -7.857 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -14.255 -0.570 -8.134 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -15.994 0.274 -9.734 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -16.962 -1.154 -9.422 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -17.196 -0.507 -7.037 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -16.164 0.886 -7.293 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -17.831 1.816 -8.922 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -18.864 0.426 -8.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -19.557 2.299 -7.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -19.036 1.034 -6.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -18.035 2.381 -6.583 1.00 0.00 H new ATOM 1497 N ASN A 97 -12.861 -0.038 -10.552 1.00 0.00 N ATOM 1498 CA ASN A 97 -12.201 0.898 -11.506 1.00 0.00 C ATOM 1499 C ASN A 97 -10.639 0.936 -11.380 1.00 0.00 C ATOM 1500 O ASN A 97 -9.977 1.263 -12.370 1.00 0.00 O ATOM 1501 CB ASN A 97 -12.802 2.319 -11.325 1.00 0.00 C ATOM 1502 CG ASN A 97 -14.273 2.497 -11.761 1.00 0.00 C ATOM 1503 OD1 ASN A 97 -14.628 2.286 -12.920 1.00 0.00 O ATOM 1504 ND2 ASN A 97 -15.150 2.892 -10.851 1.00 0.00 N ATOM 0 H ASN A 97 -12.591 0.120 -9.581 1.00 0.00 H new ATOM 0 HA ASN A 97 -12.401 0.525 -12.510 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -12.720 2.594 -10.273 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -12.190 3.024 -11.887 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -16.128 3.023 -11.109 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -14.847 3.065 -9.892 1.00 0.00 H new ATOM 1511 N ILE A 98 -10.050 0.638 -10.199 1.00 0.00 N ATOM 1512 CA ILE A 98 -8.598 0.809 -9.922 1.00 0.00 C ATOM 1513 C ILE A 98 -7.849 -0.483 -10.393 1.00 0.00 C ATOM 1514 O ILE A 98 -8.074 -1.580 -9.868 1.00 0.00 O ATOM 1515 CB ILE A 98 -8.366 1.139 -8.395 1.00 0.00 C ATOM 1516 CG1 ILE A 98 -8.996 2.474 -7.878 1.00 0.00 C ATOM 1517 CG2 ILE A 98 -6.868 1.146 -7.994 1.00 0.00 C ATOM 1518 CD1 ILE A 98 -10.499 2.427 -7.551 1.00 0.00 C ATOM 0 H ILE A 98 -10.570 0.269 -9.403 1.00 0.00 H new ATOM 0 HA ILE A 98 -8.192 1.655 -10.477 1.00 0.00 H new ATOM 0 HB ILE A 98 -8.894 0.315 -7.916 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -8.459 2.783 -6.981 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -8.832 3.246 -8.630 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -6.776 1.379 -6.933 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -6.435 0.165 -8.189 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -6.339 1.899 -8.578 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -10.826 3.406 -7.202 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -11.058 2.155 -8.447 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -10.679 1.686 -6.772 1.00 0.00 H new ATOM 1530 N LYS A 99 -6.883 -0.296 -11.311 1.00 0.00 N ATOM 1531 CA LYS A 99 -5.743 -1.239 -11.491 1.00 0.00 C ATOM 1532 C LYS A 99 -4.665 -1.010 -10.390 1.00 0.00 C ATOM 1533 O LYS A 99 -4.511 0.097 -9.865 1.00 0.00 O ATOM 1534 CB LYS A 99 -5.089 -1.027 -12.889 1.00 0.00 C ATOM 1535 CG LYS A 99 -5.766 -1.745 -14.075 1.00 0.00 C ATOM 1536 CD LYS A 99 -5.350 -3.228 -14.207 1.00 0.00 C ATOM 1537 CE LYS A 99 -5.970 -3.976 -15.404 1.00 0.00 C ATOM 1538 NZ LYS A 99 -5.420 -3.549 -16.704 1.00 0.00 N ATOM 0 H LYS A 99 -6.862 0.501 -11.947 1.00 0.00 H new ATOM 0 HA LYS A 99 -6.128 -2.256 -11.413 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -5.072 0.042 -13.101 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -4.052 -1.358 -12.835 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -6.848 -1.687 -13.957 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -5.518 -1.221 -14.998 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -4.264 -3.279 -14.289 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -5.625 -3.750 -13.290 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -5.804 -5.046 -15.281 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -7.049 -3.818 -15.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -5.876 -4.088 -17.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -5.600 -2.534 -16.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -4.395 -3.724 -16.722 1.00 0.00 H new ATOM 1552 N SER A 100 -3.899 -2.068 -10.079 1.00 0.00 N ATOM 1553 CA SER A 100 -2.731 -1.974 -9.167 1.00 0.00 C ATOM 1554 C SER A 100 -1.631 -2.921 -9.700 1.00 0.00 C ATOM 1555 O SER A 100 -1.652 -4.128 -9.436 1.00 0.00 O ATOM 1556 CB SER A 100 -3.152 -2.286 -7.713 1.00 0.00 C ATOM 1557 OG SER A 100 -2.082 -2.037 -6.809 1.00 0.00 O ATOM 0 H SER A 100 -4.063 -3.006 -10.444 1.00 0.00 H new ATOM 0 HA SER A 100 -2.330 -0.961 -9.146 1.00 0.00 H new ATOM 0 HB2 SER A 100 -4.013 -1.675 -7.441 1.00 0.00 H new ATOM 0 HB3 SER A 100 -3.463 -3.328 -7.636 1.00 0.00 H new ATOM 0 HG SER A 100 -2.372 -2.240 -5.895 1.00 0.00 H new ATOM 1563 N VAL A 101 -0.676 -2.347 -10.453 1.00 0.00 N ATOM 1564 CA VAL A 101 0.466 -3.099 -11.043 1.00 0.00 C ATOM 1565 C VAL A 101 1.670 -2.817 -10.098 1.00 0.00 C ATOM 1566 O VAL A 101 2.295 -1.753 -10.173 1.00 0.00 O ATOM 1567 CB VAL A 101 0.711 -2.666 -12.531 1.00 0.00 C ATOM 1568 CG1 VAL A 101 1.979 -3.305 -13.151 1.00 0.00 C ATOM 1569 CG2 VAL A 101 -0.490 -2.967 -13.462 1.00 0.00 C ATOM 0 H VAL A 101 -0.666 -1.351 -10.674 1.00 0.00 H new ATOM 0 HA VAL A 101 0.284 -4.172 -11.104 1.00 0.00 H new ATOM 0 HB VAL A 101 0.849 -1.587 -12.466 1.00 0.00 H new ATOM 0 HG11 VAL A 101 2.091 -2.965 -14.181 1.00 0.00 H new ATOM 0 HG12 VAL A 101 2.855 -3.009 -12.574 1.00 0.00 H new ATOM 0 HG13 VAL A 101 1.884 -4.391 -13.136 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -0.255 -2.643 -14.476 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -0.692 -4.038 -13.461 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -1.370 -2.432 -13.105 1.00 0.00 H new ATOM 1579 N THR A 102 1.973 -3.775 -9.207 1.00 0.00 N ATOM 1580 CA THR A 102 2.963 -3.580 -8.113 1.00 0.00 C ATOM 1581 C THR A 102 4.329 -4.136 -8.610 1.00 0.00 C ATOM 1582 O THR A 102 4.587 -5.341 -8.523 1.00 0.00 O ATOM 1583 CB THR A 102 2.422 -4.252 -6.815 1.00 0.00 C ATOM 1584 OG1 THR A 102 1.095 -3.817 -6.521 1.00 0.00 O ATOM 1585 CG2 THR A 102 3.275 -3.964 -5.574 1.00 0.00 C ATOM 0 H THR A 102 1.548 -4.702 -9.216 1.00 0.00 H new ATOM 0 HA THR A 102 3.117 -2.531 -7.860 1.00 0.00 H new ATOM 0 HB THR A 102 2.453 -5.321 -7.026 1.00 0.00 H new ATOM 0 HG1 THR A 102 0.781 -4.256 -5.703 1.00 0.00 H new ATOM 0 HG21 THR A 102 2.839 -4.463 -4.709 1.00 0.00 H new ATOM 0 HG22 THR A 102 4.287 -4.334 -5.734 1.00 0.00 H new ATOM 0 HG23 THR A 102 3.306 -2.889 -5.395 1.00 0.00 H new ATOM 1593 N GLU A 103 5.166 -3.245 -9.172 1.00 0.00 N ATOM 1594 CA GLU A 103 6.318 -3.629 -10.030 1.00 0.00 C ATOM 1595 C GLU A 103 7.631 -3.458 -9.222 1.00 0.00 C ATOM 1596 O GLU A 103 7.975 -2.345 -8.819 1.00 0.00 O ATOM 1597 CB GLU A 103 6.329 -2.733 -11.312 1.00 0.00 C ATOM 1598 CG GLU A 103 6.578 -3.445 -12.658 1.00 0.00 C ATOM 1599 CD GLU A 103 7.902 -4.207 -12.833 1.00 0.00 C ATOM 1600 OE1 GLU A 103 8.929 -3.829 -12.225 1.00 0.00 O ATOM 1601 OE2 GLU A 103 7.920 -5.187 -13.607 1.00 0.00 O ATOM 0 H GLU A 103 5.069 -2.237 -9.048 1.00 0.00 H new ATOM 0 HA GLU A 103 6.231 -4.671 -10.338 1.00 0.00 H new ATOM 0 HB2 GLU A 103 5.371 -2.217 -11.373 1.00 0.00 H new ATOM 0 HB3 GLU A 103 7.096 -1.969 -11.185 1.00 0.00 H new ATOM 0 HG2 GLU A 103 5.762 -4.150 -12.820 1.00 0.00 H new ATOM 0 HG3 GLU A 103 6.515 -2.697 -13.449 1.00 0.00 H new ATOM 1608 N LEU A 104 8.362 -4.558 -8.997 1.00 0.00 N ATOM 1609 CA LEU A 104 9.527 -4.581 -8.069 1.00 0.00 C ATOM 1610 C LEU A 104 10.842 -4.642 -8.896 1.00 0.00 C ATOM 1611 O LEU A 104 11.086 -5.603 -9.633 1.00 0.00 O ATOM 1612 CB LEU A 104 9.374 -5.757 -7.057 1.00 0.00 C ATOM 1613 CG LEU A 104 9.929 -5.499 -5.628 1.00 0.00 C ATOM 1614 CD1 LEU A 104 9.489 -6.618 -4.669 1.00 0.00 C ATOM 1615 CD2 LEU A 104 11.452 -5.307 -5.548 1.00 0.00 C ATOM 0 H LEU A 104 8.174 -5.456 -9.443 1.00 0.00 H new ATOM 0 HA LEU A 104 9.567 -3.668 -7.475 1.00 0.00 H new ATOM 0 HB2 LEU A 104 8.316 -6.005 -6.976 1.00 0.00 H new ATOM 0 HB3 LEU A 104 9.876 -6.633 -7.468 1.00 0.00 H new ATOM 0 HG LEU A 104 9.497 -4.545 -5.326 1.00 0.00 H new ATOM 0 HD11 LEU A 104 9.887 -6.421 -3.673 1.00 0.00 H new ATOM 0 HD12 LEU A 104 8.400 -6.652 -4.625 1.00 0.00 H new ATOM 0 HD13 LEU A 104 9.868 -7.575 -5.028 1.00 0.00 H new ATOM 0 HD21 LEU A 104 11.743 -5.133 -4.512 1.00 0.00 H new ATOM 0 HD22 LEU A 104 11.952 -6.202 -5.920 1.00 0.00 H new ATOM 0 HD23 LEU A 104 11.743 -4.450 -6.155 1.00 0.00 H new ATOM 1627 N ASN A 105 11.684 -3.603 -8.759 1.00 0.00 N ATOM 1628 CA ASN A 105 12.950 -3.469 -9.531 1.00 0.00 C ATOM 1629 C ASN A 105 14.121 -4.051 -8.684 1.00 0.00 C ATOM 1630 O ASN A 105 14.272 -5.277 -8.660 1.00 0.00 O ATOM 1631 CB ASN A 105 13.087 -2.009 -10.068 1.00 0.00 C ATOM 1632 CG ASN A 105 12.199 -1.621 -11.275 1.00 0.00 C ATOM 1633 OD1 ASN A 105 12.699 -1.373 -12.371 1.00 0.00 O ATOM 1634 ND2 ASN A 105 10.886 -1.543 -11.114 1.00 0.00 N ATOM 0 H ASN A 105 11.515 -2.831 -8.115 1.00 0.00 H new ATOM 0 HA ASN A 105 12.964 -4.067 -10.442 1.00 0.00 H new ATOM 0 HB2 ASN A 105 12.865 -1.324 -9.250 1.00 0.00 H new ATOM 0 HB3 ASN A 105 14.128 -1.846 -10.346 1.00 0.00 H new ATOM 0 HD21 ASN A 105 10.291 -1.277 -11.899 1.00 0.00 H new ATOM 0 HD22 ASN A 105 10.470 -1.749 -10.205 1.00 0.00 H new ATOM 1641 N GLY A 106 14.924 -3.215 -7.999 1.00 0.00 N ATOM 1642 CA GLY A 106 16.078 -3.682 -7.190 1.00 0.00 C ATOM 1643 C GLY A 106 15.748 -3.669 -5.687 1.00 0.00 C ATOM 1644 O GLY A 106 14.978 -4.516 -5.223 1.00 0.00 O ATOM 0 H GLY A 106 14.797 -2.203 -7.987 1.00 0.00 H new ATOM 0 HA2 GLY A 106 16.354 -4.691 -7.495 1.00 0.00 H new ATOM 0 HA3 GLY A 106 16.941 -3.044 -7.381 1.00 0.00 H new ATOM 1648 N ASP A 107 16.306 -2.691 -4.949 1.00 0.00 N ATOM 1649 CA ASP A 107 15.886 -2.402 -3.542 1.00 0.00 C ATOM 1650 C ASP A 107 14.840 -1.237 -3.469 1.00 0.00 C ATOM 1651 O ASP A 107 14.970 -0.313 -2.659 1.00 0.00 O ATOM 1652 CB ASP A 107 17.145 -2.146 -2.659 1.00 0.00 C ATOM 1653 CG ASP A 107 18.024 -3.373 -2.368 1.00 0.00 C ATOM 1654 OD1 ASP A 107 18.776 -3.810 -3.267 1.00 0.00 O ATOM 1655 OD2 ASP A 107 17.970 -3.900 -1.234 1.00 0.00 O ATOM 0 H ASP A 107 17.049 -2.082 -5.293 1.00 0.00 H new ATOM 0 HA ASP A 107 15.371 -3.276 -3.142 1.00 0.00 H new ATOM 0 HB2 ASP A 107 17.760 -1.391 -3.148 1.00 0.00 H new ATOM 0 HB3 ASP A 107 16.818 -1.724 -1.709 1.00 0.00 H new ATOM 1660 N ILE A 108 13.776 -1.306 -4.297 1.00 0.00 N ATOM 1661 CA ILE A 108 12.657 -0.328 -4.318 1.00 0.00 C ATOM 1662 C ILE A 108 11.307 -1.084 -4.576 1.00 0.00 C ATOM 1663 O ILE A 108 11.259 -2.316 -4.679 1.00 0.00 O ATOM 1664 CB ILE A 108 12.916 0.870 -5.306 1.00 0.00 C ATOM 1665 CG1 ILE A 108 12.943 0.471 -6.810 1.00 0.00 C ATOM 1666 CG2 ILE A 108 14.127 1.763 -4.947 1.00 0.00 C ATOM 1667 CD1 ILE A 108 12.397 1.557 -7.744 1.00 0.00 C ATOM 0 H ILE A 108 13.665 -2.053 -4.982 1.00 0.00 H new ATOM 0 HA ILE A 108 12.586 0.148 -3.340 1.00 0.00 H new ATOM 0 HB ILE A 108 12.028 1.485 -5.157 1.00 0.00 H new ATOM 0 HG12 ILE A 108 13.969 0.239 -7.097 1.00 0.00 H new ATOM 0 HG13 ILE A 108 12.360 -0.440 -6.946 1.00 0.00 H new ATOM 0 HG21 ILE A 108 14.223 2.559 -5.685 1.00 0.00 H new ATOM 0 HG22 ILE A 108 13.977 2.200 -3.960 1.00 0.00 H new ATOM 0 HG23 ILE A 108 15.035 1.160 -4.943 1.00 0.00 H new ATOM 0 HD11 ILE A 108 12.447 1.209 -8.776 1.00 0.00 H new ATOM 0 HD12 ILE A 108 11.361 1.773 -7.484 1.00 0.00 H new ATOM 0 HD13 ILE A 108 12.994 2.462 -7.638 1.00 0.00 H new ATOM 1679 N ILE A 109 10.198 -0.332 -4.730 1.00 0.00 N ATOM 1680 CA ILE A 109 8.961 -0.855 -5.368 1.00 0.00 C ATOM 1681 C ILE A 109 8.219 0.326 -6.063 1.00 0.00 C ATOM 1682 O ILE A 109 7.934 1.363 -5.453 1.00 0.00 O ATOM 1683 CB ILE A 109 8.097 -1.725 -4.388 1.00 0.00 C ATOM 1684 CG1 ILE A 109 7.170 -2.718 -5.136 1.00 0.00 C ATOM 1685 CG2 ILE A 109 7.318 -0.912 -3.322 1.00 0.00 C ATOM 1686 CD1 ILE A 109 6.716 -3.906 -4.275 1.00 0.00 C ATOM 0 H ILE A 109 10.129 0.638 -4.424 1.00 0.00 H new ATOM 0 HA ILE A 109 9.212 -1.571 -6.151 1.00 0.00 H new ATOM 0 HB ILE A 109 8.829 -2.309 -3.830 1.00 0.00 H new ATOM 0 HG12 ILE A 109 6.290 -2.182 -5.493 1.00 0.00 H new ATOM 0 HG13 ILE A 109 7.691 -3.096 -6.015 1.00 0.00 H new ATOM 0 HG21 ILE A 109 6.749 -1.593 -2.689 1.00 0.00 H new ATOM 0 HG22 ILE A 109 8.021 -0.349 -2.709 1.00 0.00 H new ATOM 0 HG23 ILE A 109 6.635 -0.222 -3.818 1.00 0.00 H new ATOM 0 HD11 ILE A 109 6.071 -4.557 -4.865 1.00 0.00 H new ATOM 0 HD12 ILE A 109 7.588 -4.467 -3.939 1.00 0.00 H new ATOM 0 HD13 ILE A 109 6.166 -3.538 -3.409 1.00 0.00 H new ATOM 1698 N THR A 110 7.904 0.123 -7.351 1.00 0.00 N ATOM 1699 CA THR A 110 7.215 1.121 -8.206 1.00 0.00 C ATOM 1700 C THR A 110 5.731 0.663 -8.341 1.00 0.00 C ATOM 1701 O THR A 110 5.386 -0.128 -9.226 1.00 0.00 O ATOM 1702 CB THR A 110 7.967 1.242 -9.566 1.00 0.00 C ATOM 1703 OG1 THR A 110 9.355 1.495 -9.362 1.00 0.00 O ATOM 1704 CG2 THR A 110 7.442 2.367 -10.472 1.00 0.00 C ATOM 0 H THR A 110 8.120 -0.746 -7.840 1.00 0.00 H new ATOM 0 HA THR A 110 7.221 2.122 -7.775 1.00 0.00 H new ATOM 0 HB THR A 110 7.795 0.284 -10.057 1.00 0.00 H new ATOM 0 HG1 THR A 110 9.806 1.565 -10.229 1.00 0.00 H new ATOM 0 HG21 THR A 110 8.016 2.386 -11.398 1.00 0.00 H new ATOM 0 HG22 THR A 110 6.391 2.190 -10.700 1.00 0.00 H new ATOM 0 HG23 THR A 110 7.546 3.324 -9.961 1.00 0.00 H new ATOM 1712 N ASN A 111 4.864 1.165 -7.441 1.00 0.00 N ATOM 1713 CA ASN A 111 3.423 0.797 -7.399 1.00 0.00 C ATOM 1714 C ASN A 111 2.632 1.759 -8.326 1.00 0.00 C ATOM 1715 O ASN A 111 2.435 2.933 -8.002 1.00 0.00 O ATOM 1716 CB ASN A 111 2.942 0.816 -5.923 1.00 0.00 C ATOM 1717 CG ASN A 111 1.447 0.513 -5.687 1.00 0.00 C ATOM 1718 OD1 ASN A 111 0.653 1.414 -5.418 1.00 0.00 O ATOM 1719 ND2 ASN A 111 1.034 -0.740 -5.789 1.00 0.00 N ATOM 0 H ASN A 111 5.135 1.836 -6.722 1.00 0.00 H new ATOM 0 HA ASN A 111 3.252 -0.213 -7.773 1.00 0.00 H new ATOM 0 HB2 ASN A 111 3.531 0.090 -5.362 1.00 0.00 H new ATOM 0 HB3 ASN A 111 3.162 1.798 -5.504 1.00 0.00 H new ATOM 0 HD21 ASN A 111 0.050 -0.966 -5.644 1.00 0.00 H new ATOM 0 HD22 ASN A 111 1.700 -1.480 -6.012 1.00 0.00 H new ATOM 1726 N THR A 112 2.200 1.225 -9.478 1.00 0.00 N ATOM 1727 CA THR A 112 1.631 2.030 -10.590 1.00 0.00 C ATOM 1728 C THR A 112 0.121 1.678 -10.698 1.00 0.00 C ATOM 1729 O THR A 112 -0.260 0.674 -11.312 1.00 0.00 O ATOM 1730 CB THR A 112 2.442 1.745 -11.889 1.00 0.00 C ATOM 1731 OG1 THR A 112 3.835 1.966 -11.675 1.00 0.00 O ATOM 1732 CG2 THR A 112 2.034 2.616 -13.086 1.00 0.00 C ATOM 0 H THR A 112 2.231 0.224 -9.673 1.00 0.00 H new ATOM 0 HA THR A 112 1.708 3.103 -10.415 1.00 0.00 H new ATOM 0 HB THR A 112 2.223 0.703 -12.124 1.00 0.00 H new ATOM 0 HG1 THR A 112 4.327 1.780 -12.502 1.00 0.00 H new ATOM 0 HG21 THR A 112 2.645 2.356 -13.950 1.00 0.00 H new ATOM 0 HG22 THR A 112 0.983 2.444 -13.320 1.00 0.00 H new ATOM 0 HG23 THR A 112 2.183 3.667 -12.839 1.00 0.00 H new ATOM 1740 N MET A 113 -0.725 2.527 -10.088 1.00 0.00 N ATOM 1741 CA MET A 113 -2.196 2.316 -10.032 1.00 0.00 C ATOM 1742 C MET A 113 -2.880 3.163 -11.138 1.00 0.00 C ATOM 1743 O MET A 113 -3.005 4.386 -11.009 1.00 0.00 O ATOM 1744 CB MET A 113 -2.761 2.665 -8.629 1.00 0.00 C ATOM 1745 CG MET A 113 -2.350 1.735 -7.478 1.00 0.00 C ATOM 1746 SD MET A 113 -3.105 2.321 -5.946 1.00 0.00 S ATOM 1747 CE MET A 113 -2.928 0.865 -4.896 1.00 0.00 C ATOM 0 H MET A 113 -0.417 3.379 -9.619 1.00 0.00 H new ATOM 0 HA MET A 113 -2.409 1.262 -10.209 1.00 0.00 H new ATOM 0 HB2 MET A 113 -2.449 3.679 -8.377 1.00 0.00 H new ATOM 0 HB3 MET A 113 -3.849 2.672 -8.691 1.00 0.00 H new ATOM 0 HG2 MET A 113 -2.669 0.714 -7.688 1.00 0.00 H new ATOM 0 HG3 MET A 113 -1.265 1.716 -7.379 1.00 0.00 H new ATOM 0 HE1 MET A 113 -3.350 1.072 -3.912 1.00 0.00 H new ATOM 0 HE2 MET A 113 -3.456 0.025 -5.347 1.00 0.00 H new ATOM 0 HE3 MET A 113 -1.872 0.617 -4.793 1.00 0.00 H new ATOM 1757 N THR A 114 -3.313 2.500 -12.230 1.00 0.00 N ATOM 1758 CA THR A 114 -3.830 3.194 -13.444 1.00 0.00 C ATOM 1759 C THR A 114 -5.386 3.245 -13.399 1.00 0.00 C ATOM 1760 O THR A 114 -6.069 2.257 -13.688 1.00 0.00 O ATOM 1761 CB THR A 114 -3.276 2.578 -14.765 1.00 0.00 C ATOM 1762 OG1 THR A 114 -3.679 1.222 -14.929 1.00 0.00 O ATOM 1763 CG2 THR A 114 -1.745 2.638 -14.905 1.00 0.00 C ATOM 0 H THR A 114 -3.318 1.483 -12.303 1.00 0.00 H new ATOM 0 HA THR A 114 -3.462 4.220 -13.439 1.00 0.00 H new ATOM 0 HB THR A 114 -3.709 3.207 -15.543 1.00 0.00 H new ATOM 0 HG1 THR A 114 -3.314 0.872 -15.768 1.00 0.00 H new ATOM 0 HG21 THR A 114 -1.448 2.188 -15.852 1.00 0.00 H new ATOM 0 HG22 THR A 114 -1.418 3.677 -14.879 1.00 0.00 H new ATOM 0 HG23 THR A 114 -1.283 2.091 -14.083 1.00 0.00 H new ATOM 1771 N LEU A 115 -5.932 4.419 -13.034 1.00 0.00 N ATOM 1772 CA LEU A 115 -7.397 4.661 -12.951 1.00 0.00 C ATOM 1773 C LEU A 115 -7.841 5.444 -14.219 1.00 0.00 C ATOM 1774 O LEU A 115 -7.920 6.678 -14.206 1.00 0.00 O ATOM 1775 CB LEU A 115 -7.646 5.385 -11.594 1.00 0.00 C ATOM 1776 CG LEU A 115 -9.073 5.904 -11.270 1.00 0.00 C ATOM 1777 CD1 LEU A 115 -10.146 4.801 -11.272 1.00 0.00 C ATOM 1778 CD2 LEU A 115 -9.053 6.628 -9.913 1.00 0.00 C ATOM 0 H LEU A 115 -5.373 5.235 -12.786 1.00 0.00 H new ATOM 0 HA LEU A 115 -8.004 3.756 -12.951 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -7.356 4.700 -10.797 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -6.967 6.236 -11.545 1.00 0.00 H new ATOM 0 HG LEU A 115 -9.352 6.593 -12.068 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -11.117 5.238 -11.038 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -10.186 4.334 -12.256 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -9.896 4.049 -10.523 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -10.053 6.994 -9.681 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -8.731 5.935 -9.136 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -8.360 7.468 -9.959 1.00 0.00 H new ATOM 1790 N GLY A 116 -8.096 4.708 -15.321 1.00 0.00 N ATOM 1791 CA GLY A 116 -8.420 5.312 -16.634 1.00 0.00 C ATOM 1792 C GLY A 116 -7.191 5.944 -17.321 1.00 0.00 C ATOM 1793 O GLY A 116 -6.366 5.235 -17.903 1.00 0.00 O ATOM 0 H GLY A 116 -8.084 3.688 -15.329 1.00 0.00 H new ATOM 0 HA2 GLY A 116 -8.842 4.547 -17.286 1.00 0.00 H new ATOM 0 HA3 GLY A 116 -9.187 6.074 -16.499 1.00 0.00 H new ATOM 1797 N ASP A 117 -7.084 7.277 -17.204 1.00 0.00 N ATOM 1798 CA ASP A 117 -5.866 8.043 -17.607 1.00 0.00 C ATOM 1799 C ASP A 117 -4.903 8.429 -16.431 1.00 0.00 C ATOM 1800 O ASP A 117 -3.756 8.792 -16.713 1.00 0.00 O ATOM 1801 CB ASP A 117 -6.284 9.324 -18.384 1.00 0.00 C ATOM 1802 CG ASP A 117 -6.928 9.076 -19.758 1.00 0.00 C ATOM 1803 OD1 ASP A 117 -6.186 8.859 -20.742 1.00 0.00 O ATOM 1804 OD2 ASP A 117 -8.175 9.093 -19.854 1.00 0.00 O ATOM 0 H ASP A 117 -7.830 7.864 -16.830 1.00 0.00 H new ATOM 0 HA ASP A 117 -5.294 7.365 -18.240 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -6.984 9.890 -17.769 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -5.402 9.950 -18.522 1.00 0.00 H new ATOM 1809 N ILE A 118 -5.330 8.375 -15.149 1.00 0.00 N ATOM 1810 CA ILE A 118 -4.546 8.881 -13.987 1.00 0.00 C ATOM 1811 C ILE A 118 -3.556 7.757 -13.552 1.00 0.00 C ATOM 1812 O ILE A 118 -3.965 6.749 -12.969 1.00 0.00 O ATOM 1813 CB ILE A 118 -5.508 9.343 -12.832 1.00 0.00 C ATOM 1814 CG1 ILE A 118 -6.491 10.482 -13.257 1.00 0.00 C ATOM 1815 CG2 ILE A 118 -4.718 9.803 -11.578 1.00 0.00 C ATOM 1816 CD1 ILE A 118 -7.677 10.717 -12.311 1.00 0.00 C ATOM 0 H ILE A 118 -6.232 7.978 -14.885 1.00 0.00 H new ATOM 0 HA ILE A 118 -3.966 9.764 -14.256 1.00 0.00 H new ATOM 0 HB ILE A 118 -6.102 8.461 -12.593 1.00 0.00 H new ATOM 0 HG12 ILE A 118 -5.928 11.411 -13.343 1.00 0.00 H new ATOM 0 HG13 ILE A 118 -6.880 10.252 -14.249 1.00 0.00 H new ATOM 0 HG21 ILE A 118 -5.417 10.115 -10.802 1.00 0.00 H new ATOM 0 HG22 ILE A 118 -4.110 8.978 -11.208 1.00 0.00 H new ATOM 0 HG23 ILE A 118 -4.072 10.640 -11.842 1.00 0.00 H new ATOM 0 HD11 ILE A 118 -8.296 11.527 -12.697 1.00 0.00 H new ATOM 0 HD12 ILE A 118 -8.273 9.807 -12.241 1.00 0.00 H new ATOM 0 HD13 ILE A 118 -7.306 10.984 -11.322 1.00 0.00 H new ATOM 1828 N VAL A 119 -2.256 7.971 -13.820 1.00 0.00 N ATOM 1829 CA VAL A 119 -1.187 6.978 -13.521 1.00 0.00 C ATOM 1830 C VAL A 119 -0.561 7.392 -12.153 1.00 0.00 C ATOM 1831 O VAL A 119 0.337 8.239 -12.105 1.00 0.00 O ATOM 1832 CB VAL A 119 -0.157 6.894 -14.704 1.00 0.00 C ATOM 1833 CG1 VAL A 119 0.968 5.868 -14.438 1.00 0.00 C ATOM 1834 CG2 VAL A 119 -0.796 6.548 -16.074 1.00 0.00 C ATOM 0 H VAL A 119 -1.909 8.830 -14.248 1.00 0.00 H new ATOM 0 HA VAL A 119 -1.578 5.965 -13.432 1.00 0.00 H new ATOM 0 HB VAL A 119 0.254 7.902 -14.755 1.00 0.00 H new ATOM 0 HG11 VAL A 119 1.652 5.850 -15.286 1.00 0.00 H new ATOM 0 HG12 VAL A 119 1.514 6.152 -13.538 1.00 0.00 H new ATOM 0 HG13 VAL A 119 0.533 4.878 -14.302 1.00 0.00 H new ATOM 0 HG21 VAL A 119 -0.020 6.509 -16.838 1.00 0.00 H new ATOM 0 HG22 VAL A 119 -1.291 5.579 -16.010 1.00 0.00 H new ATOM 0 HG23 VAL A 119 -1.527 7.312 -16.338 1.00 0.00 H new ATOM 1844 N PHE A 120 -1.045 6.776 -11.054 1.00 0.00 N ATOM 1845 CA PHE A 120 -0.556 7.061 -9.679 1.00 0.00 C ATOM 1846 C PHE A 120 0.691 6.189 -9.375 1.00 0.00 C ATOM 1847 O PHE A 120 0.567 5.033 -8.959 1.00 0.00 O ATOM 1848 CB PHE A 120 -1.717 6.875 -8.658 1.00 0.00 C ATOM 1849 CG PHE A 120 -1.378 7.028 -7.156 1.00 0.00 C ATOM 1850 CD1 PHE A 120 -0.668 8.140 -6.690 1.00 0.00 C ATOM 1851 CD2 PHE A 120 -1.768 6.042 -6.240 1.00 0.00 C ATOM 1852 CE1 PHE A 120 -0.345 8.263 -5.344 1.00 0.00 C ATOM 1853 CE2 PHE A 120 -1.458 6.174 -4.888 1.00 0.00 C ATOM 1854 CZ PHE A 120 -0.753 7.288 -4.442 1.00 0.00 C ATOM 0 H PHE A 120 -1.781 6.071 -11.089 1.00 0.00 H new ATOM 0 HA PHE A 120 -0.234 8.099 -9.592 1.00 0.00 H new ATOM 0 HB2 PHE A 120 -2.498 7.595 -8.902 1.00 0.00 H new ATOM 0 HB3 PHE A 120 -2.141 5.882 -8.808 1.00 0.00 H new ATOM 0 HD1 PHE A 120 -0.368 8.911 -7.384 1.00 0.00 H new ATOM 0 HD2 PHE A 120 -2.312 5.175 -6.584 1.00 0.00 H new ATOM 0 HE1 PHE A 120 0.222 9.115 -5.000 1.00 0.00 H new ATOM 0 HE2 PHE A 120 -1.765 5.412 -4.187 1.00 0.00 H new ATOM 0 HZ PHE A 120 -0.522 7.395 -3.392 1.00 0.00 H new ATOM 1864 N LYS A 121 1.880 6.781 -9.576 1.00 0.00 N ATOM 1865 CA LYS A 121 3.169 6.061 -9.424 1.00 0.00 C ATOM 1866 C LYS A 121 3.853 6.478 -8.093 1.00 0.00 C ATOM 1867 O LYS A 121 4.410 7.574 -7.980 1.00 0.00 O ATOM 1868 CB LYS A 121 4.027 6.291 -10.695 1.00 0.00 C ATOM 1869 CG LYS A 121 5.306 5.429 -10.764 1.00 0.00 C ATOM 1870 CD LYS A 121 6.031 5.464 -12.128 1.00 0.00 C ATOM 1871 CE LYS A 121 6.671 6.817 -12.493 1.00 0.00 C ATOM 1872 NZ LYS A 121 7.390 6.735 -13.778 1.00 0.00 N ATOM 0 H LYS A 121 1.982 7.760 -9.845 1.00 0.00 H new ATOM 0 HA LYS A 121 3.020 4.984 -9.346 1.00 0.00 H new ATOM 0 HB2 LYS A 121 3.416 6.084 -11.574 1.00 0.00 H new ATOM 0 HB3 LYS A 121 4.309 7.343 -10.743 1.00 0.00 H new ATOM 0 HG2 LYS A 121 5.997 5.765 -9.991 1.00 0.00 H new ATOM 0 HG3 LYS A 121 5.046 4.396 -10.532 1.00 0.00 H new ATOM 0 HD2 LYS A 121 6.808 4.700 -12.129 1.00 0.00 H new ATOM 0 HD3 LYS A 121 5.319 5.194 -12.908 1.00 0.00 H new ATOM 0 HE2 LYS A 121 5.899 7.584 -12.553 1.00 0.00 H new ATOM 0 HE3 LYS A 121 7.361 7.121 -11.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 7.811 7.660 -14.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 8.142 6.019 -13.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 6.725 6.468 -14.532 1.00 0.00 H new ATOM 1886 N ARG A 122 3.827 5.561 -7.110 1.00 0.00 N ATOM 1887 CA ARG A 122 4.599 5.683 -5.845 1.00 0.00 C ATOM 1888 C ARG A 122 6.003 5.046 -6.045 1.00 0.00 C ATOM 1889 O ARG A 122 6.113 3.881 -6.436 1.00 0.00 O ATOM 1890 CB ARG A 122 3.878 4.944 -4.681 1.00 0.00 C ATOM 1891 CG ARG A 122 2.665 5.665 -4.056 1.00 0.00 C ATOM 1892 CD ARG A 122 2.124 4.905 -2.824 1.00 0.00 C ATOM 1893 NE ARG A 122 1.164 5.718 -2.040 1.00 0.00 N ATOM 1894 CZ ARG A 122 0.463 5.262 -0.982 1.00 0.00 C ATOM 1895 NH1 ARG A 122 0.563 4.024 -0.499 1.00 0.00 N ATOM 1896 NH2 ARG A 122 -0.375 6.091 -0.387 1.00 0.00 N ATOM 0 H ARG A 122 3.270 4.708 -7.164 1.00 0.00 H new ATOM 0 HA ARG A 122 4.686 6.740 -5.592 1.00 0.00 H new ATOM 0 HB2 ARG A 122 3.546 3.972 -5.047 1.00 0.00 H new ATOM 0 HB3 ARG A 122 4.607 4.756 -3.893 1.00 0.00 H new ATOM 0 HG2 ARG A 122 2.952 6.675 -3.764 1.00 0.00 H new ATOM 0 HG3 ARG A 122 1.875 5.761 -4.801 1.00 0.00 H new ATOM 0 HD2 ARG A 122 1.637 3.987 -3.151 1.00 0.00 H new ATOM 0 HD3 ARG A 122 2.957 4.613 -2.185 1.00 0.00 H new ATOM 0 HE ARG A 122 1.024 6.689 -2.320 1.00 0.00 H new ATOM 0 HH11 ARG A 122 1.200 3.357 -0.934 1.00 0.00 H new ATOM 0 HH12 ARG A 122 0.003 3.744 0.306 1.00 0.00 H new ATOM 0 HH21 ARG A 122 -0.478 7.046 -0.730 1.00 0.00 H new ATOM 0 HH22 ARG A 122 -0.920 5.776 0.416 1.00 0.00 H new ATOM 1910 N ILE A 123 7.060 5.812 -5.726 1.00 0.00 N ATOM 1911 CA ILE A 123 8.464 5.313 -5.736 1.00 0.00 C ATOM 1912 C ILE A 123 8.848 5.229 -4.230 1.00 0.00 C ATOM 1913 O ILE A 123 9.089 6.260 -3.593 1.00 0.00 O ATOM 1914 CB ILE A 123 9.436 6.214 -6.585 1.00 0.00 C ATOM 1915 CG1 ILE A 123 9.009 6.441 -8.073 1.00 0.00 C ATOM 1916 CG2 ILE A 123 10.868 5.617 -6.588 1.00 0.00 C ATOM 1917 CD1 ILE A 123 8.055 7.622 -8.317 1.00 0.00 C ATOM 0 H ILE A 123 6.976 6.791 -5.454 1.00 0.00 H new ATOM 0 HA ILE A 123 8.552 4.345 -6.229 1.00 0.00 H new ATOM 0 HB ILE A 123 9.397 7.185 -6.091 1.00 0.00 H new ATOM 0 HG12 ILE A 123 9.908 6.593 -8.671 1.00 0.00 H new ATOM 0 HG13 ILE A 123 8.533 5.531 -8.439 1.00 0.00 H new ATOM 0 HG21 ILE A 123 11.526 6.253 -7.180 1.00 0.00 H new ATOM 0 HG22 ILE A 123 11.241 5.561 -5.565 1.00 0.00 H new ATOM 0 HG23 ILE A 123 10.844 4.617 -7.021 1.00 0.00 H new ATOM 0 HD11 ILE A 123 7.823 7.689 -9.380 1.00 0.00 H new ATOM 0 HD12 ILE A 123 7.134 7.468 -7.754 1.00 0.00 H new ATOM 0 HD13 ILE A 123 8.530 8.547 -7.990 1.00 0.00 H new ATOM 1929 N SER A 124 8.873 4.004 -3.676 1.00 0.00 N ATOM 1930 CA SER A 124 9.030 3.780 -2.214 1.00 0.00 C ATOM 1931 C SER A 124 10.189 2.780 -1.979 1.00 0.00 C ATOM 1932 O SER A 124 10.103 1.625 -2.413 1.00 0.00 O ATOM 1933 CB SER A 124 7.708 3.222 -1.632 1.00 0.00 C ATOM 1934 OG SER A 124 6.618 4.114 -1.826 1.00 0.00 O ATOM 0 H SER A 124 8.786 3.144 -4.217 1.00 0.00 H new ATOM 0 HA SER A 124 9.262 4.720 -1.714 1.00 0.00 H new ATOM 0 HB2 SER A 124 7.481 2.265 -2.103 1.00 0.00 H new ATOM 0 HB3 SER A 124 7.834 3.031 -0.566 1.00 0.00 H new ATOM 0 HG SER A 124 5.804 3.723 -1.446 1.00 0.00 H new ATOM 1940 N LYS A 125 11.275 3.214 -1.303 1.00 0.00 N ATOM 1941 CA LYS A 125 12.509 2.390 -1.170 1.00 0.00 C ATOM 1942 C LYS A 125 12.494 1.444 0.064 1.00 0.00 C ATOM 1943 O LYS A 125 11.935 1.753 1.121 1.00 0.00 O ATOM 1944 CB LYS A 125 13.812 3.208 -1.326 1.00 0.00 C ATOM 1945 CG LYS A 125 14.243 4.069 -0.130 1.00 0.00 C ATOM 1946 CD LYS A 125 15.610 4.758 -0.301 1.00 0.00 C ATOM 1947 CE LYS A 125 15.753 5.716 -1.503 1.00 0.00 C ATOM 1948 NZ LYS A 125 17.087 6.340 -1.538 1.00 0.00 N ATOM 0 H LYS A 125 11.328 4.122 -0.842 1.00 0.00 H new ATOM 0 HA LYS A 125 12.502 1.717 -2.027 1.00 0.00 H new ATOM 0 HB2 LYS A 125 14.622 2.515 -1.553 1.00 0.00 H new ATOM 0 HB3 LYS A 125 13.700 3.862 -2.191 1.00 0.00 H new ATOM 0 HG2 LYS A 125 13.485 4.832 0.045 1.00 0.00 H new ATOM 0 HG3 LYS A 125 14.275 3.442 0.761 1.00 0.00 H new ATOM 0 HD2 LYS A 125 15.826 5.318 0.609 1.00 0.00 H new ATOM 0 HD3 LYS A 125 16.373 3.985 -0.388 1.00 0.00 H new ATOM 0 HE2 LYS A 125 15.582 5.168 -2.429 1.00 0.00 H new ATOM 0 HE3 LYS A 125 14.989 6.491 -1.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 17.151 6.978 -2.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 17.239 6.883 -0.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 17.814 5.601 -1.618 1.00 0.00 H new ATOM 1962 N ARG A 126 13.166 0.297 -0.107 1.00 0.00 N ATOM 1963 CA ARG A 126 13.167 -0.821 0.856 1.00 0.00 C ATOM 1964 C ARG A 126 14.171 -0.559 2.014 1.00 0.00 C ATOM 1965 O ARG A 126 15.356 -0.293 1.787 1.00 0.00 O ATOM 1966 CB ARG A 126 13.496 -2.095 0.033 1.00 0.00 C ATOM 1967 CG ARG A 126 13.291 -3.413 0.802 1.00 0.00 C ATOM 1968 CD ARG A 126 13.217 -4.674 -0.078 1.00 0.00 C ATOM 1969 NE ARG A 126 14.510 -5.066 -0.697 1.00 0.00 N ATOM 1970 CZ ARG A 126 14.625 -5.810 -1.819 1.00 0.00 C ATOM 1971 NH1 ARG A 126 13.592 -6.215 -2.554 1.00 0.00 N ATOM 1972 NH2 ARG A 126 15.833 -6.155 -2.219 1.00 0.00 N ATOM 0 H ARG A 126 13.736 0.114 -0.933 1.00 0.00 H new ATOM 0 HA ARG A 126 12.202 -0.940 1.349 1.00 0.00 H new ATOM 0 HB2 ARG A 126 12.872 -2.108 -0.861 1.00 0.00 H new ATOM 0 HB3 ARG A 126 14.532 -2.040 -0.302 1.00 0.00 H new ATOM 0 HG2 ARG A 126 14.108 -3.532 1.514 1.00 0.00 H new ATOM 0 HG3 ARG A 126 12.371 -3.339 1.382 1.00 0.00 H new ATOM 0 HD2 ARG A 126 12.851 -5.504 0.527 1.00 0.00 H new ATOM 0 HD3 ARG A 126 12.485 -4.509 -0.868 1.00 0.00 H new ATOM 0 HE ARG A 126 15.369 -4.752 -0.244 1.00 0.00 H new ATOM 0 HH11 ARG A 126 12.642 -5.965 -2.280 1.00 0.00 H new ATOM 0 HH12 ARG A 126 13.750 -6.776 -3.391 1.00 0.00 H new ATOM 0 HH21 ARG A 126 16.651 -5.860 -1.685 1.00 0.00 H new ATOM 0 HH22 ARG A 126 15.950 -6.716 -3.063 1.00 0.00 H new ATOM 1986 N ILE A 127 13.647 -0.616 3.248 1.00 0.00 N ATOM 1987 CA ILE A 127 14.368 -0.181 4.468 1.00 0.00 C ATOM 1988 C ILE A 127 14.054 -1.240 5.534 1.00 0.00 C ATOM 1989 O ILE A 127 14.803 -1.414 6.496 1.00 0.00 O ATOM 1990 CB ILE A 127 14.017 1.279 4.927 1.00 0.00 C ATOM 1991 CG1 ILE A 127 12.502 1.552 5.187 1.00 0.00 C ATOM 1992 CG2 ILE A 127 14.615 2.331 3.960 1.00 0.00 C ATOM 1993 CD1 ILE A 127 12.186 2.812 6.006 1.00 0.00 C ATOM 0 H ILE A 127 12.707 -0.966 3.435 1.00 0.00 H new ATOM 0 HA ILE A 127 15.439 -0.118 4.276 1.00 0.00 H new ATOM 0 HB ILE A 127 14.488 1.378 5.905 1.00 0.00 H new ATOM 0 HG12 ILE A 127 11.995 1.629 4.225 1.00 0.00 H new ATOM 0 HG13 ILE A 127 12.079 0.690 5.702 1.00 0.00 H new ATOM 0 HG21 ILE A 127 14.355 3.332 4.305 1.00 0.00 H new ATOM 0 HG22 ILE A 127 15.700 2.227 3.935 1.00 0.00 H new ATOM 0 HG23 ILE A 127 14.212 2.176 2.959 1.00 0.00 H new ATOM 0 HD11 ILE A 127 11.107 2.906 6.127 1.00 0.00 H new ATOM 0 HD12 ILE A 127 12.656 2.736 6.986 1.00 0.00 H new ATOM 0 HD13 ILE A 127 12.570 3.690 5.486 1.00 0.00 H new TER 2005 ILE A 127