USER MOD reduce.3.24.130724 H: found=0, std=0, add=811, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 808 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 93 LYS NZ :NH3+ 138:sc= 0.0223 (180deg=0) USER MOD Set 1.2: A 98 HIS : no HE2:sc= -0.332 X(o=-0.31,f=-0.0052) USER MOD Set 2.1: A 41 THR OG1 : rot 65:sc= 0.102 USER MOD Set 2.2: A 79 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 71 ASN : amide:sc= -0.446 X(o=-0.45,f=-0.17) USER MOD Set 3.2: A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.168 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= -0.769 USER MOD Single : A 13 GLN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= -0.658 X(o=-0.66,f=-0.67) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= -0.426 X(o=-0.43,f=0) USER MOD Single : A 21 SER OG : rot 45:sc= 0.391 USER MOD Single : A 23 SER OG : rot 180:sc= -0.0263 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 ASN :FLIP amide:sc= -0.0311 F(o=-1.7!,f=-0.031) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot 40:sc= 0.152 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot 11:sc= 0.996 USER MOD Single : A 62 SER OG : rot 138:sc= -0.623 USER MOD Single : A 63 LYS NZ :NH3+ 158:sc= -0.0884 (180deg=-0.464) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 CYS SG : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 CYS SG : rot 180:sc= 0 USER MOD Single : A 80 TYR OH : rot 177:sc= 1.22 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 TYR OH : rot 147:sc= 1.02 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 94 TYR OH : rot 180:sc= -1.23! USER MOD Single : A 95 ASN : amide:sc= -0.186 X(o=-0.19,f=-0.23) USER MOD Single : A 97 LYS NZ :NH3+ 130:sc= -0.184 (180deg=-0.979) USER MOD Single : A 102 SER OG : rot 27:sc= 0.971 USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 THR OG1 : rot 180:sc= 0 USER MOD Single : A 112 SER OG : rot 52:sc= 1.14 USER MOD Single : A 115 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -18.187 14.555 -3.188 1.00 0.00 N ATOM 2 CA GLY A 1 -19.091 13.526 -3.667 1.00 0.00 C ATOM 3 C GLY A 1 -18.591 12.857 -4.932 1.00 0.00 C ATOM 4 O GLY A 1 -18.698 13.417 -6.023 1.00 0.00 O ATOM 0 H1 GLY A 1 -18.574 14.981 -2.322 1.00 0.00 H new ATOM 0 H2 GLY A 1 -17.259 14.133 -2.982 1.00 0.00 H new ATOM 0 H3 GLY A 1 -18.079 15.289 -3.917 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -19.224 12.773 -2.890 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -20.070 13.966 -3.855 1.00 0.00 H new ATOM 8 N SER A 2 -18.040 11.656 -4.787 1.00 0.00 N ATOM 9 CA SER A 2 -17.516 10.912 -5.926 1.00 0.00 C ATOM 10 C SER A 2 -18.651 10.360 -6.783 1.00 0.00 C ATOM 11 O SER A 2 -18.667 10.538 -8.001 1.00 0.00 O ATOM 12 CB SER A 2 -16.621 9.767 -5.447 1.00 0.00 C ATOM 13 OG SER A 2 -17.356 8.834 -4.674 1.00 0.00 O ATOM 0 H SER A 2 -17.945 11.177 -3.891 1.00 0.00 H new ATOM 0 HA SER A 2 -16.924 11.596 -6.534 1.00 0.00 H new ATOM 0 HB2 SER A 2 -16.178 9.263 -6.306 1.00 0.00 H new ATOM 0 HB3 SER A 2 -15.799 10.168 -4.854 1.00 0.00 H new ATOM 0 HG SER A 2 -16.762 8.112 -4.382 1.00 0.00 H new ATOM 19 N SER A 3 -19.600 9.689 -6.138 1.00 0.00 N ATOM 20 CA SER A 3 -20.737 9.107 -6.840 1.00 0.00 C ATOM 21 C SER A 3 -21.685 10.196 -7.335 1.00 0.00 C ATOM 22 O SER A 3 -22.002 11.136 -6.607 1.00 0.00 O ATOM 23 CB SER A 3 -21.488 8.139 -5.924 1.00 0.00 C ATOM 24 OG SER A 3 -21.991 8.806 -4.780 1.00 0.00 O ATOM 0 H SER A 3 -19.604 9.535 -5.130 1.00 0.00 H new ATOM 0 HA SER A 3 -20.358 8.559 -7.703 1.00 0.00 H new ATOM 0 HB2 SER A 3 -22.311 7.679 -6.472 1.00 0.00 H new ATOM 0 HB3 SER A 3 -20.821 7.334 -5.616 1.00 0.00 H new ATOM 0 HG SER A 3 -22.468 8.166 -4.212 1.00 0.00 H new ATOM 30 N GLY A 4 -22.135 10.061 -8.579 1.00 0.00 N ATOM 31 CA GLY A 4 -23.041 11.039 -9.150 1.00 0.00 C ATOM 32 C GLY A 4 -23.609 10.593 -10.483 1.00 0.00 C ATOM 33 O GLY A 4 -23.711 9.397 -10.754 1.00 0.00 O ATOM 0 H GLY A 4 -21.888 9.291 -9.201 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -23.859 11.223 -8.453 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -22.515 11.985 -9.281 1.00 0.00 H new ATOM 37 N SER A 5 -23.982 11.558 -11.318 1.00 0.00 N ATOM 38 CA SER A 5 -24.548 11.259 -12.628 1.00 0.00 C ATOM 39 C SER A 5 -23.604 11.700 -13.742 1.00 0.00 C ATOM 40 O SER A 5 -23.277 10.923 -14.638 1.00 0.00 O ATOM 41 CB SER A 5 -25.904 11.949 -12.791 1.00 0.00 C ATOM 42 OG SER A 5 -26.860 11.413 -11.892 1.00 0.00 O ATOM 0 H SER A 5 -23.902 12.553 -11.110 1.00 0.00 H new ATOM 0 HA SER A 5 -24.686 10.180 -12.698 1.00 0.00 H new ATOM 0 HB2 SER A 5 -25.795 13.019 -12.615 1.00 0.00 H new ATOM 0 HB3 SER A 5 -26.256 11.829 -13.816 1.00 0.00 H new ATOM 0 HG SER A 5 -27.717 11.872 -12.015 1.00 0.00 H new ATOM 48 N SER A 6 -23.169 12.955 -13.678 1.00 0.00 N ATOM 49 CA SER A 6 -22.265 13.503 -14.683 1.00 0.00 C ATOM 50 C SER A 6 -21.082 12.567 -14.917 1.00 0.00 C ATOM 51 O SER A 6 -20.908 12.031 -16.010 1.00 0.00 O ATOM 52 CB SER A 6 -21.762 14.881 -14.249 1.00 0.00 C ATOM 53 OG SER A 6 -22.808 15.836 -14.271 1.00 0.00 O ATOM 0 H SER A 6 -23.428 13.611 -12.941 1.00 0.00 H new ATOM 0 HA SER A 6 -22.817 13.603 -15.618 1.00 0.00 H new ATOM 0 HB2 SER A 6 -21.343 14.819 -13.245 1.00 0.00 H new ATOM 0 HB3 SER A 6 -20.958 15.203 -14.910 1.00 0.00 H new ATOM 0 HG SER A 6 -22.461 16.708 -13.988 1.00 0.00 H new ATOM 59 N GLY A 7 -20.272 12.377 -13.880 1.00 0.00 N ATOM 60 CA GLY A 7 -19.116 11.507 -13.992 1.00 0.00 C ATOM 61 C GLY A 7 -18.065 12.057 -14.937 1.00 0.00 C ATOM 62 O GLY A 7 -17.986 11.672 -16.103 1.00 0.00 O ATOM 0 H GLY A 7 -20.396 12.810 -12.965 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -18.675 11.366 -13.005 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -19.436 10.526 -14.341 1.00 0.00 H new ATOM 66 N PRO A 8 -17.236 12.982 -14.431 1.00 0.00 N ATOM 67 CA PRO A 8 -16.171 13.607 -15.222 1.00 0.00 C ATOM 68 C PRO A 8 -15.044 12.633 -15.549 1.00 0.00 C ATOM 69 O PRO A 8 -14.947 11.561 -14.954 1.00 0.00 O ATOM 70 CB PRO A 8 -15.663 14.727 -14.309 1.00 0.00 C ATOM 71 CG PRO A 8 -15.994 14.271 -12.930 1.00 0.00 C ATOM 72 CD PRO A 8 -17.273 13.489 -13.049 1.00 0.00 C ATOM 0 HA PRO A 8 -16.533 13.957 -16.189 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -14.590 14.879 -14.429 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -16.148 15.676 -14.539 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -15.195 13.653 -12.521 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -16.116 15.120 -12.257 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -17.316 12.676 -12.324 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -18.146 14.118 -12.875 1.00 0.00 H new ATOM 80 N GLU A 9 -14.194 13.015 -16.497 1.00 0.00 N ATOM 81 CA GLU A 9 -13.074 12.174 -16.902 1.00 0.00 C ATOM 82 C GLU A 9 -11.761 12.709 -16.339 1.00 0.00 C ATOM 83 O GLU A 9 -10.752 12.004 -16.312 1.00 0.00 O ATOM 84 CB GLU A 9 -12.993 12.095 -18.428 1.00 0.00 C ATOM 85 CG GLU A 9 -11.894 11.175 -18.932 1.00 0.00 C ATOM 86 CD GLU A 9 -11.748 11.213 -20.441 1.00 0.00 C ATOM 87 OE1 GLU A 9 -12.680 10.761 -21.138 1.00 0.00 O ATOM 88 OE2 GLU A 9 -10.702 11.694 -20.924 1.00 0.00 O ATOM 0 H GLU A 9 -14.260 13.901 -16.998 1.00 0.00 H new ATOM 0 HA GLU A 9 -13.240 11.174 -16.502 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -13.951 11.750 -18.817 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -12.829 13.096 -18.827 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -10.948 11.459 -18.472 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -12.107 10.154 -18.617 1.00 0.00 H new ATOM 95 N SER A 10 -11.782 13.960 -15.890 1.00 0.00 N ATOM 96 CA SER A 10 -10.592 14.591 -15.331 1.00 0.00 C ATOM 97 C SER A 10 -10.972 15.647 -14.297 1.00 0.00 C ATOM 98 O SER A 10 -11.950 16.379 -14.451 1.00 0.00 O ATOM 99 CB SER A 10 -9.757 15.229 -16.443 1.00 0.00 C ATOM 100 OG SER A 10 -8.503 15.669 -15.951 1.00 0.00 O ATOM 0 H SER A 10 -12.609 14.556 -15.902 1.00 0.00 H new ATOM 0 HA SER A 10 -10.000 13.820 -14.838 1.00 0.00 H new ATOM 0 HB2 SER A 10 -9.603 14.508 -17.246 1.00 0.00 H new ATOM 0 HB3 SER A 10 -10.299 16.072 -16.871 1.00 0.00 H new ATOM 0 HG SER A 10 -7.988 16.071 -16.681 1.00 0.00 H new ATOM 106 N PRO A 11 -10.181 15.727 -13.217 1.00 0.00 N ATOM 107 CA PRO A 11 -10.414 16.690 -12.136 1.00 0.00 C ATOM 108 C PRO A 11 -10.136 18.125 -12.568 1.00 0.00 C ATOM 109 O PRO A 11 -8.982 18.519 -12.746 1.00 0.00 O ATOM 110 CB PRO A 11 -9.421 16.255 -11.055 1.00 0.00 C ATOM 111 CG PRO A 11 -8.335 15.555 -11.797 1.00 0.00 C ATOM 112 CD PRO A 11 -8.999 14.886 -12.968 1.00 0.00 C ATOM 0 HA PRO A 11 -11.453 16.689 -11.806 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -9.035 17.113 -10.504 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -9.892 15.595 -10.327 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -7.573 16.260 -12.130 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -7.836 14.824 -11.161 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -8.341 14.850 -13.836 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -9.279 13.858 -12.738 1.00 0.00 H new ATOM 120 N LEU A 12 -11.199 18.904 -12.734 1.00 0.00 N ATOM 121 CA LEU A 12 -11.069 20.298 -13.145 1.00 0.00 C ATOM 122 C LEU A 12 -11.968 21.199 -12.304 1.00 0.00 C ATOM 123 O LEU A 12 -13.083 21.528 -12.707 1.00 0.00 O ATOM 124 CB LEU A 12 -11.420 20.448 -14.627 1.00 0.00 C ATOM 125 CG LEU A 12 -10.620 19.578 -15.597 1.00 0.00 C ATOM 126 CD1 LEU A 12 -11.315 19.508 -16.948 1.00 0.00 C ATOM 127 CD2 LEU A 12 -9.204 20.114 -15.751 1.00 0.00 C ATOM 0 H LEU A 12 -12.160 18.595 -12.590 1.00 0.00 H new ATOM 0 HA LEU A 12 -10.034 20.602 -12.991 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -12.478 20.220 -14.754 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -11.283 21.492 -14.909 1.00 0.00 H new ATOM 0 HG LEU A 12 -10.563 18.569 -15.188 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -10.731 18.885 -17.626 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -12.309 19.078 -16.824 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -11.404 20.512 -17.364 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -8.649 19.482 -16.445 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -9.241 21.133 -16.137 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -8.707 20.111 -14.781 1.00 0.00 H new ATOM 139 N GLN A 13 -11.472 21.597 -11.137 1.00 0.00 N ATOM 140 CA GLN A 13 -12.230 22.461 -10.240 1.00 0.00 C ATOM 141 C GLN A 13 -11.297 23.255 -9.332 1.00 0.00 C ATOM 142 O GLN A 13 -10.633 22.691 -8.462 1.00 0.00 O ATOM 143 CB GLN A 13 -13.200 21.632 -9.397 1.00 0.00 C ATOM 144 CG GLN A 13 -14.532 21.372 -10.081 1.00 0.00 C ATOM 145 CD GLN A 13 -15.452 20.497 -9.252 1.00 0.00 C ATOM 146 OE1 GLN A 13 -15.685 20.763 -8.073 1.00 0.00 O ATOM 147 NE2 GLN A 13 -15.982 19.446 -9.867 1.00 0.00 N ATOM 0 H GLN A 13 -10.549 21.335 -10.791 1.00 0.00 H new ATOM 0 HA GLN A 13 -12.799 23.164 -10.848 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -12.733 20.677 -9.155 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -13.380 22.147 -8.454 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -15.025 22.323 -10.282 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -14.354 20.895 -11.045 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -15.761 19.263 -10.846 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -16.610 18.822 -9.360 1.00 0.00 H new ATOM 156 N PHE A 14 -11.252 24.567 -9.539 1.00 0.00 N ATOM 157 CA PHE A 14 -10.399 25.438 -8.739 1.00 0.00 C ATOM 158 C PHE A 14 -11.226 26.234 -7.733 1.00 0.00 C ATOM 159 O PHE A 14 -12.400 26.522 -7.967 1.00 0.00 O ATOM 160 CB PHE A 14 -9.618 26.393 -9.644 1.00 0.00 C ATOM 161 CG PHE A 14 -9.159 27.641 -8.944 1.00 0.00 C ATOM 162 CD1 PHE A 14 -8.143 27.589 -8.003 1.00 0.00 C ATOM 163 CD2 PHE A 14 -9.743 28.865 -9.227 1.00 0.00 C ATOM 164 CE1 PHE A 14 -7.717 28.735 -7.358 1.00 0.00 C ATOM 165 CE2 PHE A 14 -9.321 30.014 -8.586 1.00 0.00 C ATOM 166 CZ PHE A 14 -8.308 29.948 -7.649 1.00 0.00 C ATOM 0 H PHE A 14 -11.796 25.050 -10.254 1.00 0.00 H new ATOM 0 HA PHE A 14 -9.695 24.812 -8.190 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -8.750 25.871 -10.046 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -10.244 26.671 -10.492 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -7.679 26.642 -7.771 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -10.537 28.922 -9.957 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -6.923 28.681 -6.628 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -9.783 30.963 -8.817 1.00 0.00 H new ATOM 0 HZ PHE A 14 -7.979 30.845 -7.145 1.00 0.00 H new ATOM 176 N TYR A 15 -10.604 26.586 -6.613 1.00 0.00 N ATOM 177 CA TYR A 15 -11.282 27.346 -5.569 1.00 0.00 C ATOM 178 C TYR A 15 -12.324 26.487 -4.859 1.00 0.00 C ATOM 179 O TYR A 15 -13.435 26.939 -4.584 1.00 0.00 O ATOM 180 CB TYR A 15 -11.948 28.588 -6.164 1.00 0.00 C ATOM 181 CG TYR A 15 -12.201 29.683 -5.153 1.00 0.00 C ATOM 182 CD1 TYR A 15 -11.186 30.131 -4.317 1.00 0.00 C ATOM 183 CD2 TYR A 15 -13.455 30.270 -5.034 1.00 0.00 C ATOM 184 CE1 TYR A 15 -11.412 31.131 -3.391 1.00 0.00 C ATOM 185 CE2 TYR A 15 -13.690 31.271 -4.112 1.00 0.00 C ATOM 186 CZ TYR A 15 -12.666 31.698 -3.293 1.00 0.00 C ATOM 187 OH TYR A 15 -12.895 32.695 -2.373 1.00 0.00 O ATOM 0 H TYR A 15 -9.632 26.357 -6.405 1.00 0.00 H new ATOM 0 HA TYR A 15 -10.535 27.657 -4.838 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -11.318 28.981 -6.962 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -12.896 28.299 -6.619 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -10.203 29.690 -4.392 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -14.259 29.938 -5.673 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -10.612 31.467 -2.748 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -14.670 31.717 -4.033 1.00 0.00 H new ATOM 0 HH TYR A 15 -13.828 32.987 -2.433 1.00 0.00 H new ATOM 197 N VAL A 16 -11.956 25.244 -4.566 1.00 0.00 N ATOM 198 CA VAL A 16 -12.857 24.320 -3.886 1.00 0.00 C ATOM 199 C VAL A 16 -12.238 23.800 -2.593 1.00 0.00 C ATOM 200 O VAL A 16 -11.099 23.336 -2.582 1.00 0.00 O ATOM 201 CB VAL A 16 -13.218 23.124 -4.787 1.00 0.00 C ATOM 202 CG1 VAL A 16 -14.193 22.197 -4.077 1.00 0.00 C ATOM 203 CG2 VAL A 16 -13.795 23.608 -6.108 1.00 0.00 C ATOM 0 H VAL A 16 -11.040 24.853 -4.789 1.00 0.00 H new ATOM 0 HA VAL A 16 -13.765 24.877 -3.652 1.00 0.00 H new ATOM 0 HB VAL A 16 -12.308 22.562 -4.999 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -14.437 21.358 -4.728 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -13.738 21.824 -3.159 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -15.104 22.744 -3.834 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -14.044 22.750 -6.732 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -14.695 24.193 -5.919 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -13.060 24.228 -6.621 1.00 0.00 H new ATOM 213 N ASN A 17 -12.997 23.882 -1.506 1.00 0.00 N ATOM 214 CA ASN A 17 -12.523 23.419 -0.206 1.00 0.00 C ATOM 215 C ASN A 17 -12.827 21.937 -0.013 1.00 0.00 C ATOM 216 O ASN A 17 -13.661 21.366 -0.716 1.00 0.00 O ATOM 217 CB ASN A 17 -13.170 24.234 0.916 1.00 0.00 C ATOM 218 CG ASN A 17 -12.555 23.943 2.271 1.00 0.00 C ATOM 219 OD1 ASN A 17 -13.136 23.228 3.088 1.00 0.00 O ATOM 220 ND2 ASN A 17 -11.373 24.496 2.515 1.00 0.00 N ATOM 0 H ASN A 17 -13.943 24.264 -1.499 1.00 0.00 H new ATOM 0 HA ASN A 17 -11.442 23.558 -0.170 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -13.068 25.296 0.695 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -14.237 24.016 0.950 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -10.910 24.335 3.409 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -10.928 25.082 1.808 1.00 0.00 H new ATOM 227 N TYR A 18 -12.144 21.319 0.945 1.00 0.00 N ATOM 228 CA TYR A 18 -12.339 19.902 1.230 1.00 0.00 C ATOM 229 C TYR A 18 -12.596 19.676 2.716 1.00 0.00 C ATOM 230 O TYR A 18 -12.163 20.447 3.572 1.00 0.00 O ATOM 231 CB TYR A 18 -11.116 19.098 0.785 1.00 0.00 C ATOM 232 CG TYR A 18 -10.528 19.567 -0.527 1.00 0.00 C ATOM 233 CD1 TYR A 18 -9.760 20.723 -0.594 1.00 0.00 C ATOM 234 CD2 TYR A 18 -10.739 18.852 -1.700 1.00 0.00 C ATOM 235 CE1 TYR A 18 -9.222 21.154 -1.791 1.00 0.00 C ATOM 236 CE2 TYR A 18 -10.204 19.275 -2.901 1.00 0.00 C ATOM 237 CZ TYR A 18 -9.446 20.427 -2.941 1.00 0.00 C ATOM 238 OH TYR A 18 -8.910 20.853 -4.135 1.00 0.00 O ATOM 0 H TYR A 18 -11.451 21.777 1.537 1.00 0.00 H new ATOM 0 HA TYR A 18 -13.212 19.562 0.673 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -10.351 19.158 1.559 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -11.395 18.048 0.694 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -9.581 21.294 0.305 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -11.332 17.950 -1.672 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -8.629 22.056 -1.826 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -10.378 18.707 -3.803 1.00 0.00 H new ATOM 0 HH TYR A 18 -9.161 20.228 -4.847 1.00 0.00 H new ATOM 248 N PRO A 19 -13.320 18.592 3.032 1.00 0.00 N ATOM 249 CA PRO A 19 -13.652 18.237 4.415 1.00 0.00 C ATOM 250 C PRO A 19 -12.432 17.773 5.203 1.00 0.00 C ATOM 251 O PRO A 19 -12.405 17.857 6.430 1.00 0.00 O ATOM 252 CB PRO A 19 -14.654 17.090 4.256 1.00 0.00 C ATOM 253 CG PRO A 19 -14.337 16.492 2.929 1.00 0.00 C ATOM 254 CD PRO A 19 -13.869 17.629 2.063 1.00 0.00 C ATOM 0 HA PRO A 19 -14.043 19.089 4.972 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -14.547 16.357 5.056 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -15.681 17.454 4.291 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -13.565 15.728 3.020 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -15.215 16.009 2.499 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -13.114 17.304 1.347 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -14.689 18.060 1.488 1.00 0.00 H new ATOM 262 N ASN A 20 -11.423 17.283 4.489 1.00 0.00 N ATOM 263 CA ASN A 20 -10.199 16.805 5.123 1.00 0.00 C ATOM 264 C ASN A 20 -9.083 17.838 4.998 1.00 0.00 C ATOM 265 O ASN A 20 -8.382 17.890 3.988 1.00 0.00 O ATOM 266 CB ASN A 20 -9.758 15.482 4.494 1.00 0.00 C ATOM 267 CG ASN A 20 -10.510 14.293 5.061 1.00 0.00 C ATOM 268 OD1 ASN A 20 -9.938 13.461 5.764 1.00 0.00 O ATOM 269 ND2 ASN A 20 -11.800 14.209 4.756 1.00 0.00 N ATOM 0 H ASN A 20 -11.429 17.207 3.472 1.00 0.00 H new ATOM 0 HA ASN A 20 -10.405 16.645 6.181 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -9.913 15.526 3.416 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -8.689 15.344 4.657 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -12.358 13.431 5.108 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -12.233 14.922 4.169 1.00 0.00 H new ATOM 276 N SER A 21 -8.925 18.658 6.032 1.00 0.00 N ATOM 277 CA SER A 21 -7.897 19.692 6.037 1.00 0.00 C ATOM 278 C SER A 21 -6.520 19.087 6.295 1.00 0.00 C ATOM 279 O SER A 21 -6.202 18.695 7.417 1.00 0.00 O ATOM 280 CB SER A 21 -8.210 20.747 7.099 1.00 0.00 C ATOM 281 OG SER A 21 -8.435 20.148 8.363 1.00 0.00 O ATOM 0 H SER A 21 -9.496 18.626 6.877 1.00 0.00 H new ATOM 0 HA SER A 21 -7.889 20.166 5.056 1.00 0.00 H new ATOM 0 HB2 SER A 21 -7.382 21.453 7.170 1.00 0.00 H new ATOM 0 HB3 SER A 21 -9.090 21.317 6.801 1.00 0.00 H new ATOM 0 HG SER A 21 -7.744 19.474 8.533 1.00 0.00 H new ATOM 287 N GLY A 22 -5.706 19.015 5.247 1.00 0.00 N ATOM 288 CA GLY A 22 -4.373 18.458 5.379 1.00 0.00 C ATOM 289 C GLY A 22 -4.359 17.173 6.184 1.00 0.00 C ATOM 290 O GLY A 22 -4.314 17.204 7.414 1.00 0.00 O ATOM 0 H GLY A 22 -5.946 19.333 4.308 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -3.963 18.267 4.388 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -3.722 19.190 5.857 1.00 0.00 H new ATOM 294 N SER A 23 -4.399 16.041 5.490 1.00 0.00 N ATOM 295 CA SER A 23 -4.397 14.740 6.148 1.00 0.00 C ATOM 296 C SER A 23 -4.306 13.613 5.124 1.00 0.00 C ATOM 297 O SER A 23 -4.657 13.788 3.957 1.00 0.00 O ATOM 298 CB SER A 23 -5.659 14.572 6.997 1.00 0.00 C ATOM 299 OG SER A 23 -5.689 13.300 7.620 1.00 0.00 O ATOM 0 H SER A 23 -4.433 15.998 4.471 1.00 0.00 H new ATOM 0 HA SER A 23 -3.522 14.690 6.796 1.00 0.00 H new ATOM 0 HB2 SER A 23 -5.697 15.353 7.756 1.00 0.00 H new ATOM 0 HB3 SER A 23 -6.542 14.694 6.370 1.00 0.00 H new ATOM 0 HG SER A 23 -6.504 13.218 8.158 1.00 0.00 H new ATOM 305 N VAL A 24 -3.831 12.454 5.570 1.00 0.00 N ATOM 306 CA VAL A 24 -3.693 11.296 4.694 1.00 0.00 C ATOM 307 C VAL A 24 -4.749 10.242 5.007 1.00 0.00 C ATOM 308 O VAL A 24 -5.209 10.128 6.143 1.00 0.00 O ATOM 309 CB VAL A 24 -2.296 10.661 4.818 1.00 0.00 C ATOM 310 CG1 VAL A 24 -2.170 9.461 3.892 1.00 0.00 C ATOM 311 CG2 VAL A 24 -1.215 11.689 4.522 1.00 0.00 C ATOM 0 H VAL A 24 -3.535 12.292 6.533 1.00 0.00 H new ATOM 0 HA VAL A 24 -3.831 11.653 3.673 1.00 0.00 H new ATOM 0 HB VAL A 24 -2.164 10.314 5.843 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -1.176 9.026 3.994 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -2.921 8.717 4.157 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -2.323 9.780 2.861 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -0.234 11.223 4.614 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -1.342 12.069 3.508 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -1.293 12.513 5.231 1.00 0.00 H new ATOM 321 N SER A 25 -5.128 9.472 3.991 1.00 0.00 N ATOM 322 CA SER A 25 -6.133 8.428 4.157 1.00 0.00 C ATOM 323 C SER A 25 -5.931 7.314 3.135 1.00 0.00 C ATOM 324 O SER A 25 -5.687 7.574 1.957 1.00 0.00 O ATOM 325 CB SER A 25 -7.538 9.016 4.017 1.00 0.00 C ATOM 326 OG SER A 25 -7.615 9.895 2.908 1.00 0.00 O ATOM 0 H SER A 25 -4.754 9.552 3.045 1.00 0.00 H new ATOM 0 HA SER A 25 -6.022 8.006 5.156 1.00 0.00 H new ATOM 0 HB2 SER A 25 -8.262 8.210 3.897 1.00 0.00 H new ATOM 0 HB3 SER A 25 -7.804 9.551 4.928 1.00 0.00 H new ATOM 0 HG SER A 25 -8.523 10.256 2.839 1.00 0.00 H new ATOM 332 N ALA A 26 -6.036 6.071 3.595 1.00 0.00 N ATOM 333 CA ALA A 26 -5.868 4.917 2.722 1.00 0.00 C ATOM 334 C ALA A 26 -7.137 4.072 2.678 1.00 0.00 C ATOM 335 O ALA A 26 -7.654 3.657 3.715 1.00 0.00 O ATOM 336 CB ALA A 26 -4.687 4.075 3.182 1.00 0.00 C ATOM 0 H ALA A 26 -6.237 5.838 4.568 1.00 0.00 H new ATOM 0 HA ALA A 26 -5.670 5.281 1.714 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -4.573 3.216 2.521 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -3.779 4.677 3.155 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -4.862 3.728 4.200 1.00 0.00 H new ATOM 342 N TYR A 27 -7.634 3.822 1.472 1.00 0.00 N ATOM 343 CA TYR A 27 -8.845 3.030 1.293 1.00 0.00 C ATOM 344 C TYR A 27 -8.732 2.132 0.065 1.00 0.00 C ATOM 345 O TYR A 27 -8.122 2.505 -0.937 1.00 0.00 O ATOM 346 CB TYR A 27 -10.063 3.945 1.160 1.00 0.00 C ATOM 347 CG TYR A 27 -9.906 5.013 0.101 1.00 0.00 C ATOM 348 CD1 TYR A 27 -9.887 4.683 -1.249 1.00 0.00 C ATOM 349 CD2 TYR A 27 -9.778 6.351 0.450 1.00 0.00 C ATOM 350 CE1 TYR A 27 -9.743 5.655 -2.219 1.00 0.00 C ATOM 351 CE2 TYR A 27 -9.634 7.330 -0.514 1.00 0.00 C ATOM 352 CZ TYR A 27 -9.617 6.977 -1.847 1.00 0.00 C ATOM 353 OH TYR A 27 -9.475 7.949 -2.811 1.00 0.00 O ATOM 0 H TYR A 27 -7.217 4.156 0.603 1.00 0.00 H new ATOM 0 HA TYR A 27 -8.969 2.398 2.172 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -10.938 3.339 0.926 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -10.254 4.423 2.121 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -9.987 3.649 -1.544 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -9.791 6.631 1.493 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -9.729 5.381 -3.264 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -9.535 8.366 -0.225 1.00 0.00 H new ATOM 0 HH TYR A 27 -9.400 8.827 -2.382 1.00 0.00 H new ATOM 363 N GLY A 28 -9.327 0.946 0.150 1.00 0.00 N ATOM 364 CA GLY A 28 -9.283 0.013 -0.961 1.00 0.00 C ATOM 365 C GLY A 28 -9.616 -1.405 -0.540 1.00 0.00 C ATOM 366 O GLY A 28 -9.519 -1.766 0.633 1.00 0.00 O ATOM 0 H GLY A 28 -9.838 0.615 0.968 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -9.985 0.335 -1.730 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -8.289 0.032 -1.409 1.00 0.00 H new ATOM 370 N PRO A 29 -10.022 -2.235 -1.513 1.00 0.00 N ATOM 371 CA PRO A 29 -10.380 -3.634 -1.261 1.00 0.00 C ATOM 372 C PRO A 29 -9.168 -4.487 -0.903 1.00 0.00 C ATOM 373 O PRO A 29 -9.296 -5.677 -0.620 1.00 0.00 O ATOM 374 CB PRO A 29 -10.982 -4.091 -2.592 1.00 0.00 C ATOM 375 CG PRO A 29 -10.366 -3.197 -3.613 1.00 0.00 C ATOM 376 CD PRO A 29 -10.161 -1.872 -2.933 1.00 0.00 C ATOM 0 HA PRO A 29 -11.058 -3.735 -0.414 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -10.752 -5.138 -2.792 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -12.068 -3.998 -2.588 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -9.419 -3.604 -3.968 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -11.014 -3.093 -4.483 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -9.273 -1.362 -3.306 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -11.005 -1.202 -3.096 1.00 0.00 H new ATOM 384 N GLY A 30 -7.990 -3.870 -0.917 1.00 0.00 N ATOM 385 CA GLY A 30 -6.772 -4.589 -0.592 1.00 0.00 C ATOM 386 C GLY A 30 -6.372 -4.424 0.860 1.00 0.00 C ATOM 387 O GLY A 30 -5.565 -5.195 1.382 1.00 0.00 O ATOM 0 H GLY A 30 -7.858 -2.885 -1.148 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -6.910 -5.648 -0.810 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -5.963 -4.235 -1.231 1.00 0.00 H new ATOM 391 N LEU A 31 -6.935 -3.415 1.516 1.00 0.00 N ATOM 392 CA LEU A 31 -6.631 -3.149 2.918 1.00 0.00 C ATOM 393 C LEU A 31 -7.667 -3.796 3.832 1.00 0.00 C ATOM 394 O LEU A 31 -7.350 -4.224 4.942 1.00 0.00 O ATOM 395 CB LEU A 31 -6.579 -1.642 3.173 1.00 0.00 C ATOM 396 CG LEU A 31 -5.725 -0.826 2.201 1.00 0.00 C ATOM 397 CD1 LEU A 31 -5.947 0.663 2.417 1.00 0.00 C ATOM 398 CD2 LEU A 31 -4.253 -1.177 2.361 1.00 0.00 C ATOM 0 H LEU A 31 -7.604 -2.768 1.100 1.00 0.00 H new ATOM 0 HA LEU A 31 -5.656 -3.582 3.141 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -7.597 -1.254 3.145 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -6.203 -1.477 4.183 1.00 0.00 H new ATOM 0 HG LEU A 31 -6.028 -1.074 1.184 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -5.331 1.228 1.717 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -6.997 0.902 2.251 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -5.671 0.928 3.438 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.660 -0.587 1.662 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -3.936 -0.958 3.381 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -4.107 -2.237 2.155 1.00 0.00 H new ATOM 410 N VAL A 32 -8.907 -3.864 3.357 1.00 0.00 N ATOM 411 CA VAL A 32 -9.989 -4.461 4.129 1.00 0.00 C ATOM 412 C VAL A 32 -9.851 -5.978 4.188 1.00 0.00 C ATOM 413 O VAL A 32 -9.951 -6.581 5.257 1.00 0.00 O ATOM 414 CB VAL A 32 -11.365 -4.104 3.536 1.00 0.00 C ATOM 415 CG1 VAL A 32 -12.483 -4.648 4.414 1.00 0.00 C ATOM 416 CG2 VAL A 32 -11.496 -2.599 3.364 1.00 0.00 C ATOM 0 H VAL A 32 -9.186 -3.513 2.441 1.00 0.00 H new ATOM 0 HA VAL A 32 -9.920 -4.054 5.138 1.00 0.00 H new ATOM 0 HB VAL A 32 -11.449 -4.568 2.553 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -13.447 -4.386 3.979 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -12.398 -5.733 4.481 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -12.405 -4.216 5.412 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -12.474 -2.365 2.944 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -11.391 -2.112 4.333 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -10.717 -2.240 2.691 1.00 0.00 H new ATOM 426 N TYR A 33 -9.621 -6.590 3.032 1.00 0.00 N ATOM 427 CA TYR A 33 -9.470 -8.038 2.950 1.00 0.00 C ATOM 428 C TYR A 33 -8.925 -8.454 1.587 1.00 0.00 C ATOM 429 O TYR A 33 -8.651 -7.612 0.732 1.00 0.00 O ATOM 430 CB TYR A 33 -10.812 -8.727 3.206 1.00 0.00 C ATOM 431 CG TYR A 33 -11.984 -8.034 2.548 1.00 0.00 C ATOM 432 CD1 TYR A 33 -11.899 -7.577 1.238 1.00 0.00 C ATOM 433 CD2 TYR A 33 -13.175 -7.835 3.235 1.00 0.00 C ATOM 434 CE1 TYR A 33 -12.967 -6.943 0.633 1.00 0.00 C ATOM 435 CE2 TYR A 33 -14.248 -7.203 2.637 1.00 0.00 C ATOM 436 CZ TYR A 33 -14.139 -6.759 1.336 1.00 0.00 C ATOM 437 OH TYR A 33 -15.205 -6.128 0.737 1.00 0.00 O ATOM 0 H TYR A 33 -9.535 -6.106 2.138 1.00 0.00 H new ATOM 0 HA TYR A 33 -8.758 -8.347 3.715 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -10.758 -9.754 2.845 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -10.986 -8.776 4.281 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -10.983 -7.720 0.684 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -13.264 -8.180 4.254 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -12.884 -6.593 -0.385 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -15.167 -7.057 3.185 1.00 0.00 H new ATOM 0 HH TYR A 33 -15.953 -6.080 1.368 1.00 0.00 H new ATOM 447 N GLY A 34 -8.771 -9.760 1.391 1.00 0.00 N ATOM 448 CA GLY A 34 -8.261 -10.266 0.131 1.00 0.00 C ATOM 449 C GLY A 34 -8.434 -11.766 -0.005 1.00 0.00 C ATOM 450 O GLY A 34 -9.258 -12.368 0.684 1.00 0.00 O ATOM 0 H GLY A 34 -8.991 -10.476 2.083 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -8.775 -9.768 -0.691 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -7.204 -10.016 0.044 1.00 0.00 H new ATOM 454 N VAL A 35 -7.657 -12.371 -0.898 1.00 0.00 N ATOM 455 CA VAL A 35 -7.729 -13.810 -1.122 1.00 0.00 C ATOM 456 C VAL A 35 -6.362 -14.379 -1.485 1.00 0.00 C ATOM 457 O VAL A 35 -5.589 -13.751 -2.209 1.00 0.00 O ATOM 458 CB VAL A 35 -8.729 -14.154 -2.242 1.00 0.00 C ATOM 459 CG1 VAL A 35 -8.655 -15.634 -2.588 1.00 0.00 C ATOM 460 CG2 VAL A 35 -10.141 -13.764 -1.833 1.00 0.00 C ATOM 0 H VAL A 35 -6.971 -11.887 -1.478 1.00 0.00 H new ATOM 0 HA VAL A 35 -8.070 -14.259 -0.189 1.00 0.00 H new ATOM 0 HB VAL A 35 -8.462 -13.584 -3.132 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -9.368 -15.858 -3.381 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -7.648 -15.879 -2.926 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -8.896 -16.226 -1.705 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -10.835 -14.014 -2.636 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -10.421 -14.306 -0.930 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -10.181 -12.692 -1.640 1.00 0.00 H new ATOM 470 N ALA A 36 -6.069 -15.571 -0.976 1.00 0.00 N ATOM 471 CA ALA A 36 -4.796 -16.226 -1.249 1.00 0.00 C ATOM 472 C ALA A 36 -4.474 -16.203 -2.739 1.00 0.00 C ATOM 473 O ALA A 36 -5.280 -16.630 -3.564 1.00 0.00 O ATOM 474 CB ALA A 36 -4.819 -17.658 -0.734 1.00 0.00 C ATOM 0 H ALA A 36 -6.696 -16.103 -0.372 1.00 0.00 H new ATOM 0 HA ALA A 36 -4.013 -15.676 -0.727 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -3.862 -18.136 -0.944 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -4.994 -17.655 0.342 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -5.617 -18.210 -1.230 1.00 0.00 H new ATOM 480 N ASN A 37 -3.291 -15.699 -3.076 1.00 0.00 N ATOM 481 CA ASN A 37 -2.863 -15.619 -4.468 1.00 0.00 C ATOM 482 C ASN A 37 -3.880 -14.850 -5.306 1.00 0.00 C ATOM 483 O ASN A 37 -4.213 -15.251 -6.421 1.00 0.00 O ATOM 484 CB ASN A 37 -2.667 -17.022 -5.045 1.00 0.00 C ATOM 485 CG ASN A 37 -1.367 -17.657 -4.590 1.00 0.00 C ATOM 486 OD1 ASN A 37 -1.043 -17.492 -3.313 1.00 0.00 O flip ATOM 487 ND2 ASN A 37 -0.663 -18.290 -5.378 1.00 0.00 N flip ATOM 0 H ASN A 37 -2.612 -15.340 -2.405 1.00 0.00 H new ATOM 0 HA ASN A 37 -1.913 -15.085 -4.500 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -3.502 -17.655 -4.745 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -2.681 -16.970 -6.134 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -0.951 -18.391 -6.351 1.00 0.00 H new ATOM 0 HD22 ASN A 37 0.208 -18.713 -5.057 1.00 0.00 H new ATOM 494 N LYS A 38 -4.370 -13.741 -4.761 1.00 0.00 N ATOM 495 CA LYS A 38 -5.347 -12.913 -5.458 1.00 0.00 C ATOM 496 C LYS A 38 -4.874 -11.465 -5.541 1.00 0.00 C ATOM 497 O LYS A 38 -4.214 -10.964 -4.630 1.00 0.00 O ATOM 498 CB LYS A 38 -6.701 -12.978 -4.746 1.00 0.00 C ATOM 499 CG LYS A 38 -7.859 -12.487 -5.597 1.00 0.00 C ATOM 500 CD LYS A 38 -8.270 -13.523 -6.630 1.00 0.00 C ATOM 501 CE LYS A 38 -9.327 -14.469 -6.081 1.00 0.00 C ATOM 502 NZ LYS A 38 -9.312 -15.784 -6.781 1.00 0.00 N ATOM 0 H LYS A 38 -4.106 -13.395 -3.838 1.00 0.00 H new ATOM 0 HA LYS A 38 -5.456 -13.299 -6.471 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -6.894 -14.007 -4.443 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -6.652 -12.382 -3.835 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -8.709 -12.253 -4.956 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -7.576 -11.563 -6.100 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -8.655 -13.021 -7.517 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -7.396 -14.094 -6.942 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -9.158 -14.623 -5.015 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -10.312 -14.013 -6.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -10.047 -16.400 -6.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -9.498 -15.640 -7.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -8.381 -16.231 -6.660 1.00 0.00 H new ATOM 516 N THR A 39 -5.216 -10.797 -6.638 1.00 0.00 N ATOM 517 CA THR A 39 -4.826 -9.408 -6.839 1.00 0.00 C ATOM 518 C THR A 39 -5.509 -8.493 -5.829 1.00 0.00 C ATOM 519 O THR A 39 -6.737 -8.438 -5.758 1.00 0.00 O ATOM 520 CB THR A 39 -5.170 -8.929 -8.263 1.00 0.00 C ATOM 521 OG1 THR A 39 -6.527 -9.258 -8.576 1.00 0.00 O ATOM 522 CG2 THR A 39 -4.239 -9.562 -9.286 1.00 0.00 C ATOM 0 H THR A 39 -5.763 -11.196 -7.401 1.00 0.00 H new ATOM 0 HA THR A 39 -3.746 -9.359 -6.697 1.00 0.00 H new ATOM 0 HB THR A 39 -5.042 -7.847 -8.300 1.00 0.00 H new ATOM 0 HG1 THR A 39 -7.091 -9.101 -7.790 1.00 0.00 H new ATOM 0 HG21 THR A 39 -4.501 -9.209 -10.284 1.00 0.00 H new ATOM 0 HG22 THR A 39 -3.209 -9.284 -9.062 1.00 0.00 H new ATOM 0 HG23 THR A 39 -4.339 -10.647 -9.247 1.00 0.00 H new ATOM 530 N ALA A 40 -4.707 -7.777 -5.049 1.00 0.00 N ATOM 531 CA ALA A 40 -5.234 -6.862 -4.044 1.00 0.00 C ATOM 532 C ALA A 40 -4.437 -5.563 -4.012 1.00 0.00 C ATOM 533 O ALA A 40 -3.237 -5.564 -3.738 1.00 0.00 O ATOM 534 CB ALA A 40 -5.227 -7.523 -2.674 1.00 0.00 C ATOM 0 H ALA A 40 -3.689 -7.813 -5.094 1.00 0.00 H new ATOM 0 HA ALA A 40 -6.262 -6.619 -4.313 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -5.623 -6.829 -1.933 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -5.847 -8.419 -2.699 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -4.206 -7.795 -2.407 1.00 0.00 H new ATOM 540 N THR A 41 -5.112 -4.452 -4.294 1.00 0.00 N ATOM 541 CA THR A 41 -4.467 -3.146 -4.299 1.00 0.00 C ATOM 542 C THR A 41 -5.353 -2.092 -3.644 1.00 0.00 C ATOM 543 O THR A 41 -6.533 -2.331 -3.389 1.00 0.00 O ATOM 544 CB THR A 41 -4.125 -2.694 -5.732 1.00 0.00 C ATOM 545 OG1 THR A 41 -3.740 -1.315 -5.731 1.00 0.00 O ATOM 546 CG2 THR A 41 -5.312 -2.894 -6.660 1.00 0.00 C ATOM 0 H THR A 41 -6.106 -4.432 -4.522 1.00 0.00 H new ATOM 0 HA THR A 41 -3.544 -3.247 -3.727 1.00 0.00 H new ATOM 0 HB THR A 41 -3.296 -3.302 -6.094 1.00 0.00 H new ATOM 0 HG1 THR A 41 -2.911 -1.207 -5.220 1.00 0.00 H new ATOM 0 HG21 THR A 41 -5.047 -2.568 -7.666 1.00 0.00 H new ATOM 0 HG22 THR A 41 -5.584 -3.949 -6.681 1.00 0.00 H new ATOM 0 HG23 THR A 41 -6.158 -2.308 -6.300 1.00 0.00 H new ATOM 554 N PHE A 42 -4.776 -0.926 -3.375 1.00 0.00 N ATOM 555 CA PHE A 42 -5.514 0.165 -2.749 1.00 0.00 C ATOM 556 C PHE A 42 -4.993 1.518 -3.225 1.00 0.00 C ATOM 557 O PHE A 42 -3.915 1.610 -3.812 1.00 0.00 O ATOM 558 CB PHE A 42 -5.407 0.073 -1.225 1.00 0.00 C ATOM 559 CG PHE A 42 -3.992 0.041 -0.724 1.00 0.00 C ATOM 560 CD1 PHE A 42 -3.203 -1.084 -0.908 1.00 0.00 C ATOM 561 CD2 PHE A 42 -3.449 1.135 -0.069 1.00 0.00 C ATOM 562 CE1 PHE A 42 -1.900 -1.116 -0.447 1.00 0.00 C ATOM 563 CE2 PHE A 42 -2.147 1.108 0.393 1.00 0.00 C ATOM 564 CZ PHE A 42 -1.372 -0.018 0.203 1.00 0.00 C ATOM 0 H PHE A 42 -3.800 -0.712 -3.580 1.00 0.00 H new ATOM 0 HA PHE A 42 -6.561 0.076 -3.039 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -5.922 0.925 -0.781 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -5.924 -0.825 -0.886 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -3.611 -1.945 -1.417 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -4.051 2.019 0.082 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -1.296 -1.999 -0.595 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -1.736 1.967 0.902 1.00 0.00 H new ATOM 0 HZ PHE A 42 -0.354 -0.040 0.562 1.00 0.00 H new ATOM 574 N THR A 43 -5.768 2.567 -2.968 1.00 0.00 N ATOM 575 CA THR A 43 -5.387 3.915 -3.371 1.00 0.00 C ATOM 576 C THR A 43 -5.160 4.809 -2.158 1.00 0.00 C ATOM 577 O THR A 43 -6.003 4.883 -1.263 1.00 0.00 O ATOM 578 CB THR A 43 -6.459 4.556 -4.273 1.00 0.00 C ATOM 579 OG1 THR A 43 -6.882 3.620 -5.271 1.00 0.00 O ATOM 580 CG2 THR A 43 -5.923 5.812 -4.943 1.00 0.00 C ATOM 0 H THR A 43 -6.663 2.509 -2.483 1.00 0.00 H new ATOM 0 HA THR A 43 -4.457 3.825 -3.932 1.00 0.00 H new ATOM 0 HB THR A 43 -7.310 4.832 -3.649 1.00 0.00 H new ATOM 0 HG1 THR A 43 -7.565 4.034 -5.839 1.00 0.00 H new ATOM 0 HG21 THR A 43 -6.698 6.246 -5.575 1.00 0.00 H new ATOM 0 HG22 THR A 43 -5.629 6.534 -4.181 1.00 0.00 H new ATOM 0 HG23 THR A 43 -5.057 5.557 -5.554 1.00 0.00 H new ATOM 588 N ILE A 44 -4.018 5.487 -2.133 1.00 0.00 N ATOM 589 CA ILE A 44 -3.682 6.377 -1.029 1.00 0.00 C ATOM 590 C ILE A 44 -3.819 7.839 -1.441 1.00 0.00 C ATOM 591 O ILE A 44 -3.212 8.280 -2.417 1.00 0.00 O ATOM 592 CB ILE A 44 -2.248 6.130 -0.522 1.00 0.00 C ATOM 593 CG1 ILE A 44 -1.988 4.630 -0.374 1.00 0.00 C ATOM 594 CG2 ILE A 44 -2.024 6.846 0.801 1.00 0.00 C ATOM 595 CD1 ILE A 44 -0.527 4.256 -0.485 1.00 0.00 C ATOM 0 H ILE A 44 -3.309 5.437 -2.865 1.00 0.00 H new ATOM 0 HA ILE A 44 -4.385 6.161 -0.224 1.00 0.00 H new ATOM 0 HB ILE A 44 -1.545 6.531 -1.253 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -2.367 4.297 0.592 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -2.551 4.095 -1.139 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -1.007 6.662 1.147 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -2.173 7.917 0.665 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -2.732 6.473 1.541 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -0.418 3.178 -0.370 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -0.147 4.557 -1.461 1.00 0.00 H new ATOM 0 HD13 ILE A 44 0.039 4.763 0.297 1.00 0.00 H new ATOM 607 N VAL A 45 -4.618 8.588 -0.688 1.00 0.00 N ATOM 608 CA VAL A 45 -4.833 10.002 -0.972 1.00 0.00 C ATOM 609 C VAL A 45 -3.650 10.842 -0.504 1.00 0.00 C ATOM 610 O VAL A 45 -3.368 10.926 0.692 1.00 0.00 O ATOM 611 CB VAL A 45 -6.117 10.521 -0.298 1.00 0.00 C ATOM 612 CG1 VAL A 45 -6.386 11.963 -0.700 1.00 0.00 C ATOM 613 CG2 VAL A 45 -7.300 9.631 -0.648 1.00 0.00 C ATOM 0 H VAL A 45 -5.127 8.239 0.124 1.00 0.00 H new ATOM 0 HA VAL A 45 -4.936 10.096 -2.053 1.00 0.00 H new ATOM 0 HB VAL A 45 -5.977 10.491 0.783 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -7.297 12.312 -0.214 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -5.548 12.589 -0.393 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -6.506 12.023 -1.782 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -8.198 10.013 -0.163 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -7.445 9.626 -1.728 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -7.106 8.615 -0.304 1.00 0.00 H new ATOM 623 N THR A 46 -2.960 11.464 -1.454 1.00 0.00 N ATOM 624 CA THR A 46 -1.807 12.298 -1.140 1.00 0.00 C ATOM 625 C THR A 46 -1.959 13.694 -1.735 1.00 0.00 C ATOM 626 O THR A 46 -1.008 14.252 -2.280 1.00 0.00 O ATOM 627 CB THR A 46 -0.501 11.670 -1.661 1.00 0.00 C ATOM 628 OG1 THR A 46 -0.621 11.376 -3.057 1.00 0.00 O ATOM 629 CG2 THR A 46 -0.170 10.397 -0.896 1.00 0.00 C ATOM 0 H THR A 46 -3.180 11.406 -2.448 1.00 0.00 H new ATOM 0 HA THR A 46 -1.758 12.373 -0.054 1.00 0.00 H new ATOM 0 HB THR A 46 0.306 12.387 -1.510 1.00 0.00 H new ATOM 0 HG1 THR A 46 -1.434 11.794 -3.411 1.00 0.00 H new ATOM 0 HG21 THR A 46 0.756 9.971 -1.282 1.00 0.00 H new ATOM 0 HG22 THR A 46 -0.050 10.629 0.162 1.00 0.00 H new ATOM 0 HG23 THR A 46 -0.979 9.677 -1.020 1.00 0.00 H new ATOM 637 N GLU A 47 -3.161 14.251 -1.626 1.00 0.00 N ATOM 638 CA GLU A 47 -3.436 15.582 -2.154 1.00 0.00 C ATOM 639 C GLU A 47 -2.703 16.649 -1.347 1.00 0.00 C ATOM 640 O GLU A 47 -2.318 17.690 -1.880 1.00 0.00 O ATOM 641 CB GLU A 47 -4.941 15.859 -2.140 1.00 0.00 C ATOM 642 CG GLU A 47 -5.572 15.723 -0.765 1.00 0.00 C ATOM 643 CD GLU A 47 -6.821 16.569 -0.610 1.00 0.00 C ATOM 644 OE1 GLU A 47 -6.712 17.810 -0.693 1.00 0.00 O ATOM 645 OE2 GLU A 47 -7.908 15.989 -0.405 1.00 0.00 O ATOM 0 H GLU A 47 -3.959 13.802 -1.177 1.00 0.00 H new ATOM 0 HA GLU A 47 -3.077 15.619 -3.182 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -5.120 16.867 -2.514 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -5.435 15.172 -2.827 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -5.822 14.677 -0.586 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -4.845 16.012 -0.006 1.00 0.00 H new ATOM 652 N ASP A 48 -2.516 16.384 -0.059 1.00 0.00 N ATOM 653 CA ASP A 48 -1.829 17.321 0.823 1.00 0.00 C ATOM 654 C ASP A 48 -0.686 16.633 1.562 1.00 0.00 C ATOM 655 O ASP A 48 -0.511 16.818 2.766 1.00 0.00 O ATOM 656 CB ASP A 48 -2.813 17.923 1.827 1.00 0.00 C ATOM 657 CG ASP A 48 -2.260 19.161 2.507 1.00 0.00 C ATOM 658 OD1 ASP A 48 -2.315 20.248 1.896 1.00 0.00 O ATOM 659 OD2 ASP A 48 -1.775 19.041 3.651 1.00 0.00 O ATOM 0 H ASP A 48 -2.830 15.528 0.398 1.00 0.00 H new ATOM 0 HA ASP A 48 -1.412 18.120 0.210 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -3.741 18.177 1.315 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -3.060 17.177 2.582 1.00 0.00 H new ATOM 664 N ALA A 49 0.090 15.837 0.833 1.00 0.00 N ATOM 665 CA ALA A 49 1.217 15.123 1.419 1.00 0.00 C ATOM 666 C ALA A 49 2.541 15.771 1.029 1.00 0.00 C ATOM 667 O ALA A 49 3.451 15.889 1.848 1.00 0.00 O ATOM 668 CB ALA A 49 1.196 13.663 0.991 1.00 0.00 C ATOM 0 H ALA A 49 -0.042 15.671 -0.165 1.00 0.00 H new ATOM 0 HA ALA A 49 1.123 15.174 2.504 1.00 0.00 H new ATOM 0 HB1 ALA A 49 2.043 13.141 1.436 1.00 0.00 H new ATOM 0 HB2 ALA A 49 0.268 13.199 1.325 1.00 0.00 H new ATOM 0 HB3 ALA A 49 1.262 13.601 -0.095 1.00 0.00 H new ATOM 674 N GLY A 50 2.642 16.190 -0.229 1.00 0.00 N ATOM 675 CA GLY A 50 3.859 16.821 -0.705 1.00 0.00 C ATOM 676 C GLY A 50 4.904 15.811 -1.137 1.00 0.00 C ATOM 677 O GLY A 50 4.621 14.920 -1.937 1.00 0.00 O ATOM 0 H GLY A 50 1.903 16.104 -0.927 1.00 0.00 H new ATOM 0 HA2 GLY A 50 3.621 17.475 -1.544 1.00 0.00 H new ATOM 0 HA3 GLY A 50 4.271 17.451 0.084 1.00 0.00 H new ATOM 681 N GLU A 51 6.116 15.953 -0.608 1.00 0.00 N ATOM 682 CA GLU A 51 7.207 15.047 -0.947 1.00 0.00 C ATOM 683 C GLU A 51 8.211 14.953 0.198 1.00 0.00 C ATOM 684 O GLU A 51 8.750 15.962 0.650 1.00 0.00 O ATOM 685 CB GLU A 51 7.912 15.516 -2.221 1.00 0.00 C ATOM 686 CG GLU A 51 8.244 16.999 -2.222 1.00 0.00 C ATOM 687 CD GLU A 51 8.947 17.438 -3.492 1.00 0.00 C ATOM 688 OE1 GLU A 51 10.117 17.047 -3.689 1.00 0.00 O ATOM 689 OE2 GLU A 51 8.327 18.173 -4.289 1.00 0.00 O ATOM 0 H GLU A 51 6.366 16.686 0.056 1.00 0.00 H new ATOM 0 HA GLU A 51 6.784 14.057 -1.118 1.00 0.00 H new ATOM 0 HB2 GLU A 51 8.832 14.946 -2.348 1.00 0.00 H new ATOM 0 HB3 GLU A 51 7.279 15.293 -3.080 1.00 0.00 H new ATOM 0 HG2 GLU A 51 7.325 17.573 -2.102 1.00 0.00 H new ATOM 0 HG3 GLU A 51 8.876 17.227 -1.364 1.00 0.00 H new ATOM 696 N GLY A 52 8.457 13.732 0.664 1.00 0.00 N ATOM 697 CA GLY A 52 9.395 13.528 1.752 1.00 0.00 C ATOM 698 C GLY A 52 9.990 12.134 1.751 1.00 0.00 C ATOM 699 O GLY A 52 11.031 11.897 1.139 1.00 0.00 O ATOM 0 H GLY A 52 8.023 12.881 0.307 1.00 0.00 H new ATOM 0 HA2 GLY A 52 10.197 14.262 1.678 1.00 0.00 H new ATOM 0 HA3 GLY A 52 8.889 13.703 2.701 1.00 0.00 H new ATOM 703 N GLY A 53 9.329 11.208 2.439 1.00 0.00 N ATOM 704 CA GLY A 53 9.815 9.843 2.503 1.00 0.00 C ATOM 705 C GLY A 53 8.763 8.875 3.008 1.00 0.00 C ATOM 706 O GLY A 53 8.553 8.750 4.215 1.00 0.00 O ATOM 0 H GLY A 53 8.465 11.380 2.953 1.00 0.00 H new ATOM 0 HA2 GLY A 53 10.145 9.531 1.512 1.00 0.00 H new ATOM 0 HA3 GLY A 53 10.686 9.801 3.157 1.00 0.00 H new ATOM 710 N LEU A 54 8.099 8.191 2.083 1.00 0.00 N ATOM 711 CA LEU A 54 7.060 7.231 2.441 1.00 0.00 C ATOM 712 C LEU A 54 7.641 5.827 2.579 1.00 0.00 C ATOM 713 O LEU A 54 8.639 5.492 1.941 1.00 0.00 O ATOM 714 CB LEU A 54 5.950 7.234 1.389 1.00 0.00 C ATOM 715 CG LEU A 54 5.211 5.911 1.189 1.00 0.00 C ATOM 716 CD1 LEU A 54 3.764 6.163 0.792 1.00 0.00 C ATOM 717 CD2 LEU A 54 5.913 5.060 0.140 1.00 0.00 C ATOM 0 H LEU A 54 8.261 8.283 1.080 1.00 0.00 H new ATOM 0 HA LEU A 54 6.641 7.528 3.403 1.00 0.00 H new ATOM 0 HB2 LEU A 54 5.221 7.997 1.662 1.00 0.00 H new ATOM 0 HB3 LEU A 54 6.383 7.533 0.434 1.00 0.00 H new ATOM 0 HG LEU A 54 5.218 5.367 2.133 1.00 0.00 H new ATOM 0 HD11 LEU A 54 3.253 5.210 0.654 1.00 0.00 H new ATOM 0 HD12 LEU A 54 3.265 6.732 1.577 1.00 0.00 H new ATOM 0 HD13 LEU A 54 3.735 6.728 -0.140 1.00 0.00 H new ATOM 0 HD21 LEU A 54 5.373 4.122 0.011 1.00 0.00 H new ATOM 0 HD22 LEU A 54 5.938 5.598 -0.808 1.00 0.00 H new ATOM 0 HD23 LEU A 54 6.932 4.850 0.464 1.00 0.00 H new ATOM 729 N ASP A 55 7.009 5.011 3.415 1.00 0.00 N ATOM 730 CA ASP A 55 7.460 3.642 3.634 1.00 0.00 C ATOM 731 C ASP A 55 6.275 2.686 3.725 1.00 0.00 C ATOM 732 O ASP A 55 5.203 3.053 4.209 1.00 0.00 O ATOM 733 CB ASP A 55 8.298 3.557 4.912 1.00 0.00 C ATOM 734 CG ASP A 55 9.774 3.786 4.652 1.00 0.00 C ATOM 735 OD1 ASP A 55 10.290 3.255 3.646 1.00 0.00 O ATOM 736 OD2 ASP A 55 10.413 4.498 5.454 1.00 0.00 O ATOM 0 H ASP A 55 6.183 5.274 3.952 1.00 0.00 H new ATOM 0 HA ASP A 55 8.076 3.349 2.784 1.00 0.00 H new ATOM 0 HB2 ASP A 55 7.939 4.296 5.628 1.00 0.00 H new ATOM 0 HB3 ASP A 55 8.160 2.577 5.369 1.00 0.00 H new ATOM 741 N LEU A 56 6.473 1.459 3.255 1.00 0.00 N ATOM 742 CA LEU A 56 5.420 0.450 3.281 1.00 0.00 C ATOM 743 C LEU A 56 5.987 -0.919 3.640 1.00 0.00 C ATOM 744 O LEU A 56 7.040 -1.316 3.142 1.00 0.00 O ATOM 745 CB LEU A 56 4.716 0.384 1.924 1.00 0.00 C ATOM 746 CG LEU A 56 3.503 1.300 1.752 1.00 0.00 C ATOM 747 CD1 LEU A 56 3.942 2.692 1.326 1.00 0.00 C ATOM 748 CD2 LEU A 56 2.531 0.712 0.740 1.00 0.00 C ATOM 0 H LEU A 56 7.353 1.139 2.851 1.00 0.00 H new ATOM 0 HA LEU A 56 4.697 0.735 4.045 1.00 0.00 H new ATOM 0 HB2 LEU A 56 5.442 0.626 1.148 1.00 0.00 H new ATOM 0 HB3 LEU A 56 4.397 -0.644 1.752 1.00 0.00 H new ATOM 0 HG LEU A 56 2.993 1.380 2.712 1.00 0.00 H new ATOM 0 HD11 LEU A 56 3.066 3.330 1.208 1.00 0.00 H new ATOM 0 HD12 LEU A 56 4.599 3.115 2.086 1.00 0.00 H new ATOM 0 HD13 LEU A 56 4.476 2.631 0.378 1.00 0.00 H new ATOM 0 HD21 LEU A 56 1.674 1.377 0.630 1.00 0.00 H new ATOM 0 HD22 LEU A 56 3.030 0.602 -0.223 1.00 0.00 H new ATOM 0 HD23 LEU A 56 2.191 -0.264 1.086 1.00 0.00 H new ATOM 760 N ALA A 57 5.280 -1.638 4.505 1.00 0.00 N ATOM 761 CA ALA A 57 5.710 -2.965 4.928 1.00 0.00 C ATOM 762 C ALA A 57 4.544 -3.766 5.497 1.00 0.00 C ATOM 763 O ALA A 57 3.917 -3.356 6.475 1.00 0.00 O ATOM 764 CB ALA A 57 6.828 -2.856 5.953 1.00 0.00 C ATOM 0 H ALA A 57 4.406 -1.324 4.927 1.00 0.00 H new ATOM 0 HA ALA A 57 6.086 -3.494 4.052 1.00 0.00 H new ATOM 0 HB1 ALA A 57 7.139 -3.855 6.260 1.00 0.00 H new ATOM 0 HB2 ALA A 57 7.676 -2.331 5.512 1.00 0.00 H new ATOM 0 HB3 ALA A 57 6.472 -2.304 6.823 1.00 0.00 H new ATOM 770 N ILE A 58 4.258 -4.907 4.880 1.00 0.00 N ATOM 771 CA ILE A 58 3.167 -5.764 5.327 1.00 0.00 C ATOM 772 C ILE A 58 3.698 -7.011 6.025 1.00 0.00 C ATOM 773 O ILE A 58 4.658 -7.629 5.566 1.00 0.00 O ATOM 774 CB ILE A 58 2.268 -6.191 4.151 1.00 0.00 C ATOM 775 CG1 ILE A 58 1.686 -4.960 3.452 1.00 0.00 C ATOM 776 CG2 ILE A 58 1.155 -7.106 4.639 1.00 0.00 C ATOM 777 CD1 ILE A 58 0.835 -5.295 2.248 1.00 0.00 C ATOM 0 H ILE A 58 4.766 -5.260 4.069 1.00 0.00 H new ATOM 0 HA ILE A 58 2.576 -5.180 6.032 1.00 0.00 H new ATOM 0 HB ILE A 58 2.874 -6.741 3.431 1.00 0.00 H new ATOM 0 HG12 ILE A 58 1.085 -4.397 4.166 1.00 0.00 H new ATOM 0 HG13 ILE A 58 2.503 -4.309 3.140 1.00 0.00 H new ATOM 0 HG21 ILE A 58 0.529 -7.399 3.796 1.00 0.00 H new ATOM 0 HG22 ILE A 58 1.589 -7.996 5.095 1.00 0.00 H new ATOM 0 HG23 ILE A 58 0.548 -6.580 5.376 1.00 0.00 H new ATOM 0 HD11 ILE A 58 0.456 -4.375 1.803 1.00 0.00 H new ATOM 0 HD12 ILE A 58 1.437 -5.832 1.515 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -0.003 -5.920 2.557 1.00 0.00 H new ATOM 789 N GLU A 59 3.065 -7.376 7.136 1.00 0.00 N ATOM 790 CA GLU A 59 3.474 -8.551 7.896 1.00 0.00 C ATOM 791 C GLU A 59 2.365 -9.598 7.917 1.00 0.00 C ATOM 792 O GLU A 59 1.241 -9.338 7.490 1.00 0.00 O ATOM 793 CB GLU A 59 3.844 -8.155 9.328 1.00 0.00 C ATOM 794 CG GLU A 59 5.300 -7.750 9.490 1.00 0.00 C ATOM 795 CD GLU A 59 6.255 -8.910 9.284 1.00 0.00 C ATOM 796 OE1 GLU A 59 6.582 -9.208 8.117 1.00 0.00 O ATOM 797 OE2 GLU A 59 6.674 -9.519 10.290 1.00 0.00 O ATOM 0 H GLU A 59 2.268 -6.875 7.529 1.00 0.00 H new ATOM 0 HA GLU A 59 4.348 -8.982 7.408 1.00 0.00 H new ATOM 0 HB2 GLU A 59 3.208 -7.328 9.643 1.00 0.00 H new ATOM 0 HB3 GLU A 59 3.632 -8.992 9.994 1.00 0.00 H new ATOM 0 HG2 GLU A 59 5.535 -6.960 8.777 1.00 0.00 H new ATOM 0 HG3 GLU A 59 5.449 -7.334 10.487 1.00 0.00 H new ATOM 804 N GLY A 60 2.690 -10.786 8.418 1.00 0.00 N ATOM 805 CA GLY A 60 1.712 -11.856 8.485 1.00 0.00 C ATOM 806 C GLY A 60 2.347 -13.229 8.387 1.00 0.00 C ATOM 807 O GLY A 60 3.534 -13.409 8.659 1.00 0.00 O ATOM 0 H GLY A 60 3.613 -11.026 8.779 1.00 0.00 H new ATOM 0 HA2 GLY A 60 1.159 -11.781 9.421 1.00 0.00 H new ATOM 0 HA3 GLY A 60 0.990 -11.735 7.678 1.00 0.00 H new ATOM 811 N PRO A 61 1.546 -14.229 7.990 1.00 0.00 N ATOM 812 CA PRO A 61 2.014 -15.611 7.848 1.00 0.00 C ATOM 813 C PRO A 61 2.971 -15.780 6.673 1.00 0.00 C ATOM 814 O PRO A 61 3.600 -16.827 6.518 1.00 0.00 O ATOM 815 CB PRO A 61 0.725 -16.400 7.606 1.00 0.00 C ATOM 816 CG PRO A 61 -0.220 -15.409 7.018 1.00 0.00 C ATOM 817 CD PRO A 61 0.120 -14.087 7.648 1.00 0.00 C ATOM 0 HA PRO A 61 2.575 -15.943 8.722 1.00 0.00 H new ATOM 0 HB2 PRO A 61 0.894 -17.237 6.928 1.00 0.00 H new ATOM 0 HB3 PRO A 61 0.335 -16.816 8.535 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -0.113 -15.364 5.934 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -1.254 -15.685 7.225 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -0.048 -13.259 6.960 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -0.488 -13.895 8.532 1.00 0.00 H new ATOM 825 N SER A 62 3.077 -14.744 5.847 1.00 0.00 N ATOM 826 CA SER A 62 3.956 -14.780 4.684 1.00 0.00 C ATOM 827 C SER A 62 4.357 -13.370 4.263 1.00 0.00 C ATOM 828 O SER A 62 3.557 -12.436 4.332 1.00 0.00 O ATOM 829 CB SER A 62 3.266 -15.495 3.520 1.00 0.00 C ATOM 830 OG SER A 62 4.183 -15.766 2.474 1.00 0.00 O ATOM 0 H SER A 62 2.565 -13.869 5.962 1.00 0.00 H new ATOM 0 HA SER A 62 4.857 -15.329 4.956 1.00 0.00 H new ATOM 0 HB2 SER A 62 2.825 -16.427 3.872 1.00 0.00 H new ATOM 0 HB3 SER A 62 2.450 -14.879 3.142 1.00 0.00 H new ATOM 0 HG SER A 62 4.025 -16.669 2.126 1.00 0.00 H new ATOM 836 N LYS A 63 5.603 -13.222 3.825 1.00 0.00 N ATOM 837 CA LYS A 63 6.114 -11.928 3.390 1.00 0.00 C ATOM 838 C LYS A 63 5.656 -11.611 1.970 1.00 0.00 C ATOM 839 O LYS A 63 6.195 -12.143 1.001 1.00 0.00 O ATOM 840 CB LYS A 63 7.642 -11.909 3.461 1.00 0.00 C ATOM 841 CG LYS A 63 8.240 -10.519 3.333 1.00 0.00 C ATOM 842 CD LYS A 63 9.759 -10.559 3.379 1.00 0.00 C ATOM 843 CE LYS A 63 10.345 -10.998 2.046 1.00 0.00 C ATOM 844 NZ LYS A 63 10.070 -10.010 0.966 1.00 0.00 N ATOM 0 H LYS A 63 6.278 -13.984 3.762 1.00 0.00 H new ATOM 0 HA LYS A 63 5.716 -11.165 4.060 1.00 0.00 H new ATOM 0 HB2 LYS A 63 7.959 -12.346 4.408 1.00 0.00 H new ATOM 0 HB3 LYS A 63 8.042 -12.542 2.669 1.00 0.00 H new ATOM 0 HG2 LYS A 63 7.915 -10.067 2.396 1.00 0.00 H new ATOM 0 HG3 LYS A 63 7.867 -9.886 4.138 1.00 0.00 H new ATOM 0 HD2 LYS A 63 10.142 -9.572 3.639 1.00 0.00 H new ATOM 0 HD3 LYS A 63 10.083 -11.244 4.163 1.00 0.00 H new ATOM 0 HE2 LYS A 63 11.422 -11.132 2.149 1.00 0.00 H new ATOM 0 HE3 LYS A 63 9.928 -11.966 1.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 10.764 -10.130 0.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 9.112 -10.163 0.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 10.142 -9.046 1.350 1.00 0.00 H new ATOM 858 N ALA A 64 4.658 -10.740 1.855 1.00 0.00 N ATOM 859 CA ALA A 64 4.131 -10.350 0.553 1.00 0.00 C ATOM 860 C ALA A 64 4.915 -9.178 -0.028 1.00 0.00 C ATOM 861 O ALA A 64 5.291 -8.254 0.692 1.00 0.00 O ATOM 862 CB ALA A 64 2.656 -9.997 0.666 1.00 0.00 C ATOM 0 H ALA A 64 4.199 -10.292 2.648 1.00 0.00 H new ATOM 0 HA ALA A 64 4.240 -11.197 -0.125 1.00 0.00 H new ATOM 0 HB1 ALA A 64 2.275 -9.708 -0.313 1.00 0.00 H new ATOM 0 HB2 ALA A 64 2.102 -10.862 1.030 1.00 0.00 H new ATOM 0 HB3 ALA A 64 2.533 -9.168 1.363 1.00 0.00 H new ATOM 868 N GLU A 65 5.158 -9.224 -1.334 1.00 0.00 N ATOM 869 CA GLU A 65 5.899 -8.166 -2.011 1.00 0.00 C ATOM 870 C GLU A 65 5.034 -6.920 -2.180 1.00 0.00 C ATOM 871 O GLU A 65 3.807 -7.004 -2.222 1.00 0.00 O ATOM 872 CB GLU A 65 6.389 -8.650 -3.377 1.00 0.00 C ATOM 873 CG GLU A 65 5.272 -9.118 -4.294 1.00 0.00 C ATOM 874 CD GLU A 65 5.782 -9.941 -5.461 1.00 0.00 C ATOM 875 OE1 GLU A 65 6.762 -9.512 -6.105 1.00 0.00 O ATOM 876 OE2 GLU A 65 5.200 -11.013 -5.731 1.00 0.00 O ATOM 0 H GLU A 65 4.853 -9.982 -1.944 1.00 0.00 H new ATOM 0 HA GLU A 65 6.761 -7.909 -1.395 1.00 0.00 H new ATOM 0 HB2 GLU A 65 6.934 -7.842 -3.865 1.00 0.00 H new ATOM 0 HB3 GLU A 65 7.095 -9.468 -3.231 1.00 0.00 H new ATOM 0 HG2 GLU A 65 4.560 -9.711 -3.720 1.00 0.00 H new ATOM 0 HG3 GLU A 65 4.732 -8.251 -4.674 1.00 0.00 H new ATOM 883 N ILE A 66 5.685 -5.765 -2.276 1.00 0.00 N ATOM 884 CA ILE A 66 4.976 -4.502 -2.441 1.00 0.00 C ATOM 885 C ILE A 66 5.538 -3.706 -3.615 1.00 0.00 C ATOM 886 O ILE A 66 6.743 -3.469 -3.697 1.00 0.00 O ATOM 887 CB ILE A 66 5.056 -3.641 -1.167 1.00 0.00 C ATOM 888 CG1 ILE A 66 4.355 -4.346 -0.004 1.00 0.00 C ATOM 889 CG2 ILE A 66 4.439 -2.272 -1.413 1.00 0.00 C ATOM 890 CD1 ILE A 66 4.797 -3.854 1.356 1.00 0.00 C ATOM 0 H ILE A 66 6.701 -5.678 -2.242 1.00 0.00 H new ATOM 0 HA ILE A 66 3.933 -4.749 -2.638 1.00 0.00 H new ATOM 0 HB ILE A 66 6.105 -3.503 -0.905 1.00 0.00 H new ATOM 0 HG12 ILE A 66 3.278 -4.205 -0.100 1.00 0.00 H new ATOM 0 HG13 ILE A 66 4.543 -5.417 -0.073 1.00 0.00 H new ATOM 0 HG21 ILE A 66 4.503 -1.675 -0.503 1.00 0.00 H new ATOM 0 HG22 ILE A 66 4.978 -1.769 -2.216 1.00 0.00 H new ATOM 0 HG23 ILE A 66 3.393 -2.390 -1.697 1.00 0.00 H new ATOM 0 HD11 ILE A 66 4.259 -4.398 2.132 1.00 0.00 H new ATOM 0 HD12 ILE A 66 5.868 -4.020 1.473 1.00 0.00 H new ATOM 0 HD13 ILE A 66 4.583 -2.789 1.445 1.00 0.00 H new ATOM 902 N SER A 67 4.656 -3.295 -4.520 1.00 0.00 N ATOM 903 CA SER A 67 5.064 -2.527 -5.691 1.00 0.00 C ATOM 904 C SER A 67 4.362 -1.173 -5.724 1.00 0.00 C ATOM 905 O SER A 67 3.231 -1.059 -6.197 1.00 0.00 O ATOM 906 CB SER A 67 4.754 -3.306 -6.971 1.00 0.00 C ATOM 907 OG SER A 67 5.444 -2.758 -8.081 1.00 0.00 O ATOM 0 H SER A 67 3.655 -3.481 -4.465 1.00 0.00 H new ATOM 0 HA SER A 67 6.139 -2.358 -5.628 1.00 0.00 H new ATOM 0 HB2 SER A 67 5.037 -4.351 -6.842 1.00 0.00 H new ATOM 0 HB3 SER A 67 3.681 -3.288 -7.161 1.00 0.00 H new ATOM 0 HG SER A 67 5.231 -3.274 -8.886 1.00 0.00 H new ATOM 913 N CYS A 68 5.041 -0.150 -5.217 1.00 0.00 N ATOM 914 CA CYS A 68 4.484 1.198 -5.187 1.00 0.00 C ATOM 915 C CYS A 68 4.718 1.913 -6.513 1.00 0.00 C ATOM 916 O CYS A 68 5.828 1.902 -7.048 1.00 0.00 O ATOM 917 CB CYS A 68 5.102 2.002 -4.043 1.00 0.00 C ATOM 918 SG CYS A 68 4.086 3.388 -3.481 1.00 0.00 S ATOM 0 H CYS A 68 5.978 -0.228 -4.821 1.00 0.00 H new ATOM 0 HA CYS A 68 3.409 1.117 -5.025 1.00 0.00 H new ATOM 0 HB2 CYS A 68 5.284 1.334 -3.201 1.00 0.00 H new ATOM 0 HB3 CYS A 68 6.072 2.383 -4.363 1.00 0.00 H new ATOM 0 HG CYS A 68 4.692 4.005 -2.510 1.00 0.00 H new ATOM 924 N ILE A 69 3.668 2.534 -7.039 1.00 0.00 N ATOM 925 CA ILE A 69 3.760 3.253 -8.303 1.00 0.00 C ATOM 926 C ILE A 69 3.155 4.648 -8.187 1.00 0.00 C ATOM 927 O ILE A 69 2.194 4.860 -7.447 1.00 0.00 O ATOM 928 CB ILE A 69 3.050 2.492 -9.438 1.00 0.00 C ATOM 929 CG1 ILE A 69 3.758 1.163 -9.710 1.00 0.00 C ATOM 930 CG2 ILE A 69 3.004 3.342 -10.699 1.00 0.00 C ATOM 931 CD1 ILE A 69 2.865 0.121 -10.346 1.00 0.00 C ATOM 0 H ILE A 69 2.743 2.554 -6.609 1.00 0.00 H new ATOM 0 HA ILE A 69 4.820 3.337 -8.541 1.00 0.00 H new ATOM 0 HB ILE A 69 2.026 2.281 -9.129 1.00 0.00 H new ATOM 0 HG12 ILE A 69 4.613 1.343 -10.361 1.00 0.00 H new ATOM 0 HG13 ILE A 69 4.149 0.770 -8.771 1.00 0.00 H new ATOM 0 HG21 ILE A 69 2.499 2.790 -11.492 1.00 0.00 H new ATOM 0 HG22 ILE A 69 2.460 4.265 -10.496 1.00 0.00 H new ATOM 0 HG23 ILE A 69 4.020 3.581 -11.014 1.00 0.00 H new ATOM 0 HD11 ILE A 69 3.434 -0.794 -10.510 1.00 0.00 H new ATOM 0 HD12 ILE A 69 2.023 -0.088 -9.686 1.00 0.00 H new ATOM 0 HD13 ILE A 69 2.494 0.493 -11.301 1.00 0.00 H new ATOM 943 N ASP A 70 3.724 5.597 -8.923 1.00 0.00 N ATOM 944 CA ASP A 70 3.239 6.972 -8.905 1.00 0.00 C ATOM 945 C ASP A 70 2.171 7.186 -9.972 1.00 0.00 C ATOM 946 O ASP A 70 2.207 6.565 -11.034 1.00 0.00 O ATOM 947 CB ASP A 70 4.397 7.947 -9.122 1.00 0.00 C ATOM 948 CG ASP A 70 3.923 9.330 -9.521 1.00 0.00 C ATOM 949 OD1 ASP A 70 2.892 9.783 -8.980 1.00 0.00 O ATOM 950 OD2 ASP A 70 4.583 9.961 -10.373 1.00 0.00 O ATOM 0 H ASP A 70 4.521 5.439 -9.539 1.00 0.00 H new ATOM 0 HA ASP A 70 2.794 7.161 -7.928 1.00 0.00 H new ATOM 0 HB2 ASP A 70 4.985 8.018 -8.207 1.00 0.00 H new ATOM 0 HB3 ASP A 70 5.058 7.555 -9.896 1.00 0.00 H new ATOM 955 N ASN A 71 1.219 8.068 -9.683 1.00 0.00 N ATOM 956 CA ASN A 71 0.140 8.362 -10.617 1.00 0.00 C ATOM 957 C ASN A 71 0.076 9.856 -10.923 1.00 0.00 C ATOM 958 O ASN A 71 0.683 10.670 -10.226 1.00 0.00 O ATOM 959 CB ASN A 71 -1.199 7.890 -10.047 1.00 0.00 C ATOM 960 CG ASN A 71 -1.238 6.390 -9.828 1.00 0.00 C ATOM 961 OD1 ASN A 71 -1.826 5.651 -10.617 1.00 0.00 O ATOM 962 ND2 ASN A 71 -0.608 5.933 -8.752 1.00 0.00 N ATOM 0 H ASN A 71 1.174 8.591 -8.809 1.00 0.00 H new ATOM 0 HA ASN A 71 0.342 7.827 -11.545 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -1.387 8.397 -9.101 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -2.001 8.176 -10.727 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -0.599 4.933 -8.553 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -0.133 6.582 -8.125 1.00 0.00 H new ATOM 969 N LYS A 72 -0.663 10.209 -11.969 1.00 0.00 N ATOM 970 CA LYS A 72 -0.808 11.604 -12.367 1.00 0.00 C ATOM 971 C LYS A 72 -1.956 12.269 -11.613 1.00 0.00 C ATOM 972 O LYS A 72 -2.168 13.476 -11.726 1.00 0.00 O ATOM 973 CB LYS A 72 -1.050 11.703 -13.875 1.00 0.00 C ATOM 974 CG LYS A 72 -0.769 13.082 -14.447 1.00 0.00 C ATOM 975 CD LYS A 72 0.722 13.364 -14.517 1.00 0.00 C ATOM 976 CE LYS A 72 1.002 14.745 -15.090 1.00 0.00 C ATOM 977 NZ LYS A 72 2.417 15.157 -14.878 1.00 0.00 N ATOM 0 H LYS A 72 -1.171 9.548 -12.557 1.00 0.00 H new ATOM 0 HA LYS A 72 0.117 12.124 -12.118 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -0.421 10.973 -14.384 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -2.085 11.435 -14.087 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -1.202 13.158 -15.445 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -1.255 13.838 -13.830 1.00 0.00 H new ATOM 0 HD2 LYS A 72 1.155 13.288 -13.520 1.00 0.00 H new ATOM 0 HD3 LYS A 72 1.208 12.608 -15.134 1.00 0.00 H new ATOM 0 HE2 LYS A 72 0.779 14.747 -16.157 1.00 0.00 H new ATOM 0 HE3 LYS A 72 0.338 15.473 -14.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 2.567 16.103 -15.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 2.623 15.179 -13.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 3.050 14.477 -15.344 1.00 0.00 H new ATOM 991 N ASP A 73 -2.691 11.473 -10.844 1.00 0.00 N ATOM 992 CA ASP A 73 -3.816 11.985 -10.069 1.00 0.00 C ATOM 993 C ASP A 73 -3.409 12.234 -8.620 1.00 0.00 C ATOM 994 O ASP A 73 -4.229 12.134 -7.709 1.00 0.00 O ATOM 995 CB ASP A 73 -4.987 11.003 -10.122 1.00 0.00 C ATOM 996 CG ASP A 73 -5.227 10.462 -11.517 1.00 0.00 C ATOM 997 OD1 ASP A 73 -5.793 11.201 -12.351 1.00 0.00 O ATOM 998 OD2 ASP A 73 -4.849 9.301 -11.776 1.00 0.00 O ATOM 0 H ASP A 73 -2.528 10.471 -10.741 1.00 0.00 H new ATOM 0 HA ASP A 73 -4.127 12.933 -10.508 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -4.792 10.173 -9.442 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -5.890 11.500 -9.768 1.00 0.00 H new ATOM 1003 N GLY A 74 -2.135 12.558 -8.416 1.00 0.00 N ATOM 1004 CA GLY A 74 -1.642 12.814 -7.075 1.00 0.00 C ATOM 1005 C GLY A 74 -1.949 11.681 -6.117 1.00 0.00 C ATOM 1006 O GLY A 74 -2.124 11.901 -4.918 1.00 0.00 O ATOM 0 H GLY A 74 -1.437 12.648 -9.154 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -0.564 12.972 -7.112 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -2.087 13.735 -6.698 1.00 0.00 H new ATOM 1010 N THR A 75 -2.018 10.463 -6.646 1.00 0.00 N ATOM 1011 CA THR A 75 -2.310 9.291 -5.830 1.00 0.00 C ATOM 1012 C THR A 75 -1.250 8.212 -6.020 1.00 0.00 C ATOM 1013 O THR A 75 -0.355 8.347 -6.855 1.00 0.00 O ATOM 1014 CB THR A 75 -3.693 8.702 -6.167 1.00 0.00 C ATOM 1015 OG1 THR A 75 -3.826 8.546 -7.584 1.00 0.00 O ATOM 1016 CG2 THR A 75 -4.805 9.599 -5.643 1.00 0.00 C ATOM 0 H THR A 75 -1.876 10.263 -7.636 1.00 0.00 H new ATOM 0 HA THR A 75 -2.308 9.620 -4.791 1.00 0.00 H new ATOM 0 HB THR A 75 -3.777 7.728 -5.685 1.00 0.00 H new ATOM 0 HG1 THR A 75 -4.707 8.170 -7.790 1.00 0.00 H new ATOM 0 HG21 THR A 75 -5.772 9.163 -5.893 1.00 0.00 H new ATOM 0 HG22 THR A 75 -4.718 9.692 -4.561 1.00 0.00 H new ATOM 0 HG23 THR A 75 -4.723 10.585 -6.100 1.00 0.00 H new ATOM 1024 N CYS A 76 -1.358 7.141 -5.241 1.00 0.00 N ATOM 1025 CA CYS A 76 -0.408 6.037 -5.324 1.00 0.00 C ATOM 1026 C CYS A 76 -1.135 4.702 -5.451 1.00 0.00 C ATOM 1027 O CYS A 76 -2.101 4.437 -4.733 1.00 0.00 O ATOM 1028 CB CYS A 76 0.498 6.023 -4.092 1.00 0.00 C ATOM 1029 SG CYS A 76 1.910 7.147 -4.201 1.00 0.00 S ATOM 0 H CYS A 76 -2.093 7.014 -4.545 1.00 0.00 H new ATOM 0 HA CYS A 76 0.204 6.183 -6.214 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -0.095 6.285 -3.216 1.00 0.00 H new ATOM 0 HB3 CYS A 76 0.866 5.009 -3.936 1.00 0.00 H new ATOM 0 HG CYS A 76 2.615 7.065 -3.112 1.00 0.00 H new ATOM 1035 N THR A 77 -0.667 3.864 -6.370 1.00 0.00 N ATOM 1036 CA THR A 77 -1.274 2.558 -6.593 1.00 0.00 C ATOM 1037 C THR A 77 -0.381 1.439 -6.067 1.00 0.00 C ATOM 1038 O THR A 77 0.555 1.009 -6.740 1.00 0.00 O ATOM 1039 CB THR A 77 -1.552 2.316 -8.089 1.00 0.00 C ATOM 1040 OG1 THR A 77 -2.419 3.336 -8.597 1.00 0.00 O ATOM 1041 CG2 THR A 77 -2.184 0.950 -8.308 1.00 0.00 C ATOM 0 H THR A 77 0.131 4.067 -6.972 1.00 0.00 H new ATOM 0 HA THR A 77 -2.219 2.552 -6.049 1.00 0.00 H new ATOM 0 HB THR A 77 -0.602 2.348 -8.623 1.00 0.00 H new ATOM 0 HG1 THR A 77 -2.590 3.176 -9.549 1.00 0.00 H new ATOM 0 HG21 THR A 77 -2.371 0.802 -9.372 1.00 0.00 H new ATOM 0 HG22 THR A 77 -1.509 0.174 -7.947 1.00 0.00 H new ATOM 0 HG23 THR A 77 -3.126 0.893 -7.763 1.00 0.00 H new ATOM 1049 N VAL A 78 -0.678 0.971 -4.859 1.00 0.00 N ATOM 1050 CA VAL A 78 0.097 -0.099 -4.242 1.00 0.00 C ATOM 1051 C VAL A 78 -0.550 -1.458 -4.488 1.00 0.00 C ATOM 1052 O VAL A 78 -1.617 -1.757 -3.951 1.00 0.00 O ATOM 1053 CB VAL A 78 0.246 0.119 -2.725 1.00 0.00 C ATOM 1054 CG1 VAL A 78 0.986 -1.048 -2.088 1.00 0.00 C ATOM 1055 CG2 VAL A 78 0.961 1.432 -2.443 1.00 0.00 C ATOM 0 H VAL A 78 -1.450 1.316 -4.288 1.00 0.00 H new ATOM 0 HA VAL A 78 1.085 -0.081 -4.703 1.00 0.00 H new ATOM 0 HB VAL A 78 -0.749 0.172 -2.284 1.00 0.00 H new ATOM 0 HG11 VAL A 78 1.082 -0.876 -1.016 1.00 0.00 H new ATOM 0 HG12 VAL A 78 0.429 -1.969 -2.260 1.00 0.00 H new ATOM 0 HG13 VAL A 78 1.978 -1.136 -2.532 1.00 0.00 H new ATOM 0 HG21 VAL A 78 1.058 1.570 -1.366 1.00 0.00 H new ATOM 0 HG22 VAL A 78 1.952 1.411 -2.896 1.00 0.00 H new ATOM 0 HG23 VAL A 78 0.386 2.257 -2.864 1.00 0.00 H new ATOM 1065 N THR A 79 0.103 -2.278 -5.305 1.00 0.00 N ATOM 1066 CA THR A 79 -0.408 -3.606 -5.624 1.00 0.00 C ATOM 1067 C THR A 79 0.417 -4.691 -4.941 1.00 0.00 C ATOM 1068 O THR A 79 1.642 -4.599 -4.869 1.00 0.00 O ATOM 1069 CB THR A 79 -0.410 -3.857 -7.143 1.00 0.00 C ATOM 1070 OG1 THR A 79 -1.022 -2.755 -7.822 1.00 0.00 O ATOM 1071 CG2 THR A 79 -1.153 -5.141 -7.478 1.00 0.00 C ATOM 0 H THR A 79 0.987 -2.046 -5.758 1.00 0.00 H new ATOM 0 HA THR A 79 -1.433 -3.647 -5.256 1.00 0.00 H new ATOM 0 HB THR A 79 0.624 -3.957 -7.473 1.00 0.00 H new ATOM 0 HG1 THR A 79 -1.017 -2.922 -8.788 1.00 0.00 H new ATOM 0 HG21 THR A 79 -1.141 -5.297 -8.557 1.00 0.00 H new ATOM 0 HG22 THR A 79 -0.667 -5.982 -6.984 1.00 0.00 H new ATOM 0 HG23 THR A 79 -2.184 -5.065 -7.134 1.00 0.00 H new ATOM 1079 N TYR A 80 -0.262 -5.718 -4.443 1.00 0.00 N ATOM 1080 CA TYR A 80 0.409 -6.821 -3.765 1.00 0.00 C ATOM 1081 C TYR A 80 -0.367 -8.123 -3.943 1.00 0.00 C ATOM 1082 O TYR A 80 -1.558 -8.112 -4.260 1.00 0.00 O ATOM 1083 CB TYR A 80 0.569 -6.509 -2.276 1.00 0.00 C ATOM 1084 CG TYR A 80 -0.682 -6.764 -1.466 1.00 0.00 C ATOM 1085 CD1 TYR A 80 -1.035 -8.052 -1.083 1.00 0.00 C ATOM 1086 CD2 TYR A 80 -1.510 -5.716 -1.082 1.00 0.00 C ATOM 1087 CE1 TYR A 80 -2.177 -8.290 -0.343 1.00 0.00 C ATOM 1088 CE2 TYR A 80 -2.653 -5.944 -0.341 1.00 0.00 C ATOM 1089 CZ TYR A 80 -2.983 -7.232 0.025 1.00 0.00 C ATOM 1090 OH TYR A 80 -4.121 -7.465 0.763 1.00 0.00 O ATOM 0 H TYR A 80 -1.276 -5.810 -4.496 1.00 0.00 H new ATOM 0 HA TYR A 80 1.395 -6.943 -4.212 1.00 0.00 H new ATOM 0 HB2 TYR A 80 1.382 -7.112 -1.872 1.00 0.00 H new ATOM 0 HB3 TYR A 80 0.859 -5.465 -2.161 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -0.406 -8.882 -1.369 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -1.255 -4.706 -1.368 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -2.437 -9.298 -0.054 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -3.285 -5.118 -0.050 1.00 0.00 H new ATOM 0 HH TYR A 80 -4.550 -6.611 0.981 1.00 0.00 H new ATOM 1100 N LEU A 81 0.315 -9.243 -3.736 1.00 0.00 N ATOM 1101 CA LEU A 81 -0.308 -10.555 -3.873 1.00 0.00 C ATOM 1102 C LEU A 81 0.018 -11.440 -2.674 1.00 0.00 C ATOM 1103 O LEU A 81 1.178 -11.735 -2.386 1.00 0.00 O ATOM 1104 CB LEU A 81 0.159 -11.232 -5.163 1.00 0.00 C ATOM 1105 CG LEU A 81 -0.345 -12.657 -5.393 1.00 0.00 C ATOM 1106 CD1 LEU A 81 -1.730 -12.639 -6.019 1.00 0.00 C ATOM 1107 CD2 LEU A 81 0.629 -13.431 -6.270 1.00 0.00 C ATOM 0 H LEU A 81 1.300 -9.270 -3.473 1.00 0.00 H new ATOM 0 HA LEU A 81 -1.388 -10.414 -3.915 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -0.154 -10.617 -6.007 1.00 0.00 H new ATOM 0 HB3 LEU A 81 1.249 -11.248 -5.167 1.00 0.00 H new ATOM 0 HG LEU A 81 -0.412 -13.159 -4.428 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -2.072 -13.662 -6.175 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -2.423 -12.122 -5.355 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -1.690 -12.120 -6.977 1.00 0.00 H new ATOM 0 HD21 LEU A 81 0.255 -14.443 -6.424 1.00 0.00 H new ATOM 0 HD22 LEU A 81 0.728 -12.931 -7.233 1.00 0.00 H new ATOM 0 HD23 LEU A 81 1.603 -13.474 -5.782 1.00 0.00 H new ATOM 1119 N PRO A 82 -1.029 -11.877 -1.958 1.00 0.00 N ATOM 1120 CA PRO A 82 -0.879 -12.737 -0.781 1.00 0.00 C ATOM 1121 C PRO A 82 -0.417 -14.143 -1.145 1.00 0.00 C ATOM 1122 O PRO A 82 -0.785 -14.678 -2.192 1.00 0.00 O ATOM 1123 CB PRO A 82 -2.290 -12.775 -0.188 1.00 0.00 C ATOM 1124 CG PRO A 82 -3.193 -12.501 -1.340 1.00 0.00 C ATOM 1125 CD PRO A 82 -2.439 -11.565 -2.244 1.00 0.00 C ATOM 0 HA PRO A 82 -0.122 -12.359 -0.094 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -2.505 -13.745 0.261 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -2.410 -12.027 0.596 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -3.452 -13.423 -1.861 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -4.128 -12.051 -1.005 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -2.684 -11.735 -3.293 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -2.672 -10.522 -2.027 1.00 0.00 H new ATOM 1133 N THR A 83 0.392 -14.740 -0.275 1.00 0.00 N ATOM 1134 CA THR A 83 0.906 -16.084 -0.506 1.00 0.00 C ATOM 1135 C THR A 83 0.180 -17.106 0.361 1.00 0.00 C ATOM 1136 O THR A 83 0.198 -18.304 0.074 1.00 0.00 O ATOM 1137 CB THR A 83 2.417 -16.165 -0.219 1.00 0.00 C ATOM 1138 OG1 THR A 83 3.110 -15.147 -0.949 1.00 0.00 O ATOM 1139 CG2 THR A 83 2.967 -17.532 -0.599 1.00 0.00 C ATOM 0 H THR A 83 0.705 -14.313 0.597 1.00 0.00 H new ATOM 0 HA THR A 83 0.731 -16.313 -1.557 1.00 0.00 H new ATOM 0 HB THR A 83 2.570 -16.013 0.849 1.00 0.00 H new ATOM 0 HG1 THR A 83 4.070 -15.204 -0.760 1.00 0.00 H new ATOM 0 HG21 THR A 83 4.036 -17.566 -0.388 1.00 0.00 H new ATOM 0 HG22 THR A 83 2.458 -18.303 -0.020 1.00 0.00 H new ATOM 0 HG23 THR A 83 2.802 -17.708 -1.662 1.00 0.00 H new ATOM 1147 N LEU A 84 -0.460 -16.627 1.422 1.00 0.00 N ATOM 1148 CA LEU A 84 -1.194 -17.500 2.332 1.00 0.00 C ATOM 1149 C LEU A 84 -2.282 -16.726 3.070 1.00 0.00 C ATOM 1150 O LEU A 84 -2.112 -15.561 3.433 1.00 0.00 O ATOM 1151 CB LEU A 84 -0.237 -18.141 3.338 1.00 0.00 C ATOM 1152 CG LEU A 84 0.888 -18.991 2.746 1.00 0.00 C ATOM 1153 CD1 LEU A 84 1.939 -19.296 3.802 1.00 0.00 C ATOM 1154 CD2 LEU A 84 0.331 -20.279 2.158 1.00 0.00 C ATOM 0 H LEU A 84 -0.486 -15.639 1.674 1.00 0.00 H new ATOM 0 HA LEU A 84 -1.668 -18.283 1.741 1.00 0.00 H new ATOM 0 HB2 LEU A 84 0.211 -17.349 3.939 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -0.819 -18.765 4.016 1.00 0.00 H new ATOM 0 HG LEU A 84 1.362 -18.424 1.944 1.00 0.00 H new ATOM 0 HD11 LEU A 84 2.731 -19.902 3.362 1.00 0.00 H new ATOM 0 HD12 LEU A 84 2.360 -18.363 4.176 1.00 0.00 H new ATOM 0 HD13 LEU A 84 1.479 -19.842 4.626 1.00 0.00 H new ATOM 0 HD21 LEU A 84 1.146 -20.871 1.741 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -0.169 -20.850 2.940 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -0.384 -20.040 1.370 1.00 0.00 H new ATOM 1166 N PRO A 85 -3.426 -17.387 3.300 1.00 0.00 N ATOM 1167 CA PRO A 85 -4.563 -16.781 4.000 1.00 0.00 C ATOM 1168 C PRO A 85 -4.279 -16.557 5.481 1.00 0.00 C ATOM 1169 O PRO A 85 -3.943 -17.492 6.207 1.00 0.00 O ATOM 1170 CB PRO A 85 -5.680 -17.812 3.819 1.00 0.00 C ATOM 1171 CG PRO A 85 -4.972 -19.108 3.622 1.00 0.00 C ATOM 1172 CD PRO A 85 -3.697 -18.776 2.896 1.00 0.00 C ATOM 0 HA PRO A 85 -4.807 -15.795 3.606 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -6.332 -17.846 4.692 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -6.307 -17.569 2.961 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -4.763 -19.588 4.578 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -5.582 -19.802 3.043 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -2.885 -19.444 3.184 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -3.815 -18.865 1.816 1.00 0.00 H new ATOM 1180 N GLY A 86 -4.418 -15.311 5.924 1.00 0.00 N ATOM 1181 CA GLY A 86 -4.174 -14.987 7.318 1.00 0.00 C ATOM 1182 C GLY A 86 -4.079 -13.493 7.558 1.00 0.00 C ATOM 1183 O GLY A 86 -3.748 -12.732 6.649 1.00 0.00 O ATOM 0 H GLY A 86 -4.695 -14.520 5.343 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -4.976 -15.400 7.930 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -3.249 -15.463 7.642 1.00 0.00 H new ATOM 1187 N ASP A 87 -4.370 -13.073 8.783 1.00 0.00 N ATOM 1188 CA ASP A 87 -4.317 -11.660 9.140 1.00 0.00 C ATOM 1189 C ASP A 87 -3.031 -11.019 8.629 1.00 0.00 C ATOM 1190 O ASP A 87 -1.934 -11.522 8.875 1.00 0.00 O ATOM 1191 CB ASP A 87 -4.418 -11.491 10.657 1.00 0.00 C ATOM 1192 CG ASP A 87 -5.765 -11.926 11.200 1.00 0.00 C ATOM 1193 OD1 ASP A 87 -6.775 -11.264 10.880 1.00 0.00 O ATOM 1194 OD2 ASP A 87 -5.810 -12.927 11.944 1.00 0.00 O ATOM 0 H ASP A 87 -4.645 -13.691 9.547 1.00 0.00 H new ATOM 0 HA ASP A 87 -5.163 -11.160 8.670 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -3.631 -12.072 11.138 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -4.246 -10.446 10.915 1.00 0.00 H new ATOM 1199 N TYR A 88 -3.173 -9.907 7.917 1.00 0.00 N ATOM 1200 CA TYR A 88 -2.023 -9.199 7.367 1.00 0.00 C ATOM 1201 C TYR A 88 -1.886 -7.814 7.993 1.00 0.00 C ATOM 1202 O TYR A 88 -2.592 -6.878 7.616 1.00 0.00 O ATOM 1203 CB TYR A 88 -2.152 -9.074 5.848 1.00 0.00 C ATOM 1204 CG TYR A 88 -1.621 -10.273 5.095 1.00 0.00 C ATOM 1205 CD1 TYR A 88 -0.255 -10.493 4.974 1.00 0.00 C ATOM 1206 CD2 TYR A 88 -2.487 -11.187 4.506 1.00 0.00 C ATOM 1207 CE1 TYR A 88 0.234 -11.587 4.286 1.00 0.00 C ATOM 1208 CE2 TYR A 88 -2.007 -12.284 3.817 1.00 0.00 C ATOM 1209 CZ TYR A 88 -0.645 -12.479 3.710 1.00 0.00 C ATOM 1210 OH TYR A 88 -0.162 -13.571 3.025 1.00 0.00 O ATOM 0 H TYR A 88 -4.073 -9.476 7.707 1.00 0.00 H new ATOM 0 HA TYR A 88 -1.128 -9.775 7.602 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -3.202 -8.930 5.591 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -1.618 -8.183 5.518 1.00 0.00 H new ATOM 0 HD1 TYR A 88 0.437 -9.797 5.425 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -3.553 -11.037 4.588 1.00 0.00 H new ATOM 0 HE1 TYR A 88 1.299 -11.742 4.200 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -2.693 -12.985 3.365 1.00 0.00 H new ATOM 0 HH TYR A 88 -0.778 -14.325 3.136 1.00 0.00 H new ATOM 1220 N SER A 89 -0.972 -7.692 8.950 1.00 0.00 N ATOM 1221 CA SER A 89 -0.744 -6.423 9.631 1.00 0.00 C ATOM 1222 C SER A 89 -0.036 -5.432 8.711 1.00 0.00 C ATOM 1223 O SER A 89 1.190 -5.440 8.600 1.00 0.00 O ATOM 1224 CB SER A 89 0.085 -6.642 10.898 1.00 0.00 C ATOM 1225 OG SER A 89 -0.672 -7.308 11.894 1.00 0.00 O ATOM 0 H SER A 89 -0.378 -8.456 9.271 1.00 0.00 H new ATOM 0 HA SER A 89 -1.713 -6.007 9.907 1.00 0.00 H new ATOM 0 HB2 SER A 89 0.973 -7.228 10.659 1.00 0.00 H new ATOM 0 HB3 SER A 89 0.431 -5.682 11.281 1.00 0.00 H new ATOM 0 HG SER A 89 -0.119 -7.438 12.693 1.00 0.00 H new ATOM 1231 N ILE A 90 -0.817 -4.581 8.055 1.00 0.00 N ATOM 1232 CA ILE A 90 -0.266 -3.584 7.146 1.00 0.00 C ATOM 1233 C ILE A 90 0.296 -2.392 7.913 1.00 0.00 C ATOM 1234 O ILE A 90 -0.402 -1.772 8.716 1.00 0.00 O ATOM 1235 CB ILE A 90 -1.327 -3.084 6.148 1.00 0.00 C ATOM 1236 CG1 ILE A 90 -1.840 -4.243 5.291 1.00 0.00 C ATOM 1237 CG2 ILE A 90 -0.751 -1.983 5.270 1.00 0.00 C ATOM 1238 CD1 ILE A 90 -3.162 -3.956 4.615 1.00 0.00 C ATOM 0 H ILE A 90 -1.834 -4.562 8.136 1.00 0.00 H new ATOM 0 HA ILE A 90 0.539 -4.070 6.595 1.00 0.00 H new ATOM 0 HB ILE A 90 -2.166 -2.673 6.709 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -1.096 -4.479 4.530 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -1.946 -5.128 5.918 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -1.513 -1.640 4.570 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -0.431 -1.149 5.895 1.00 0.00 H new ATOM 0 HG23 ILE A 90 0.104 -2.370 4.715 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -3.464 -4.821 4.025 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -3.920 -3.750 5.371 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -3.056 -3.090 3.962 1.00 0.00 H new ATOM 1250 N LEU A 91 1.561 -2.076 7.659 1.00 0.00 N ATOM 1251 CA LEU A 91 2.218 -0.956 8.325 1.00 0.00 C ATOM 1252 C LEU A 91 2.680 0.085 7.310 1.00 0.00 C ATOM 1253 O LEU A 91 3.492 -0.205 6.432 1.00 0.00 O ATOM 1254 CB LEU A 91 3.412 -1.453 9.142 1.00 0.00 C ATOM 1255 CG LEU A 91 3.106 -2.508 10.206 1.00 0.00 C ATOM 1256 CD1 LEU A 91 4.308 -3.414 10.420 1.00 0.00 C ATOM 1257 CD2 LEU A 91 2.696 -1.845 11.512 1.00 0.00 C ATOM 0 H LEU A 91 2.152 -2.579 6.997 1.00 0.00 H new ATOM 0 HA LEU A 91 1.496 -0.489 8.995 1.00 0.00 H new ATOM 0 HB2 LEU A 91 4.151 -1.864 8.454 1.00 0.00 H new ATOM 0 HB3 LEU A 91 3.874 -0.596 9.632 1.00 0.00 H new ATOM 0 HG LEU A 91 2.274 -3.119 9.856 1.00 0.00 H new ATOM 0 HD11 LEU A 91 4.072 -4.158 11.180 1.00 0.00 H new ATOM 0 HD12 LEU A 91 4.556 -3.916 9.485 1.00 0.00 H new ATOM 0 HD13 LEU A 91 5.159 -2.818 10.748 1.00 0.00 H new ATOM 0 HD21 LEU A 91 2.482 -2.611 12.257 1.00 0.00 H new ATOM 0 HD22 LEU A 91 3.507 -1.209 11.867 1.00 0.00 H new ATOM 0 HD23 LEU A 91 1.805 -1.239 11.348 1.00 0.00 H new ATOM 1269 N VAL A 92 2.157 1.300 7.438 1.00 0.00 N ATOM 1270 CA VAL A 92 2.517 2.387 6.535 1.00 0.00 C ATOM 1271 C VAL A 92 2.880 3.648 7.310 1.00 0.00 C ATOM 1272 O VAL A 92 2.128 4.098 8.174 1.00 0.00 O ATOM 1273 CB VAL A 92 1.370 2.709 5.559 1.00 0.00 C ATOM 1274 CG1 VAL A 92 1.780 3.816 4.600 1.00 0.00 C ATOM 1275 CG2 VAL A 92 0.951 1.460 4.798 1.00 0.00 C ATOM 0 H VAL A 92 1.482 1.557 8.159 1.00 0.00 H new ATOM 0 HA VAL A 92 3.384 2.052 5.966 1.00 0.00 H new ATOM 0 HB VAL A 92 0.514 3.059 6.135 1.00 0.00 H new ATOM 0 HG11 VAL A 92 0.957 4.030 3.918 1.00 0.00 H new ATOM 0 HG12 VAL A 92 2.026 4.715 5.166 1.00 0.00 H new ATOM 0 HG13 VAL A 92 2.652 3.498 4.028 1.00 0.00 H new ATOM 0 HG21 VAL A 92 0.140 1.706 4.113 1.00 0.00 H new ATOM 0 HG22 VAL A 92 1.800 1.077 4.232 1.00 0.00 H new ATOM 0 HG23 VAL A 92 0.613 0.701 5.503 1.00 0.00 H new ATOM 1285 N LYS A 93 4.039 4.216 6.995 1.00 0.00 N ATOM 1286 CA LYS A 93 4.504 5.428 7.659 1.00 0.00 C ATOM 1287 C LYS A 93 4.729 6.550 6.650 1.00 0.00 C ATOM 1288 O LYS A 93 5.104 6.301 5.504 1.00 0.00 O ATOM 1289 CB LYS A 93 5.799 5.150 8.426 1.00 0.00 C ATOM 1290 CG LYS A 93 5.573 4.566 9.810 1.00 0.00 C ATOM 1291 CD LYS A 93 6.687 4.954 10.767 1.00 0.00 C ATOM 1292 CE LYS A 93 7.868 4.001 10.664 1.00 0.00 C ATOM 1293 NZ LYS A 93 7.705 2.818 11.553 1.00 0.00 N ATOM 0 H LYS A 93 4.674 3.856 6.283 1.00 0.00 H new ATOM 0 HA LYS A 93 3.734 5.745 8.362 1.00 0.00 H new ATOM 0 HB2 LYS A 93 6.414 4.462 7.846 1.00 0.00 H new ATOM 0 HB3 LYS A 93 6.362 6.079 8.520 1.00 0.00 H new ATOM 0 HG2 LYS A 93 4.618 4.915 10.202 1.00 0.00 H new ATOM 0 HG3 LYS A 93 5.512 3.480 9.742 1.00 0.00 H new ATOM 0 HD2 LYS A 93 7.018 5.970 10.549 1.00 0.00 H new ATOM 0 HD3 LYS A 93 6.307 4.955 11.789 1.00 0.00 H new ATOM 0 HE2 LYS A 93 7.977 3.668 9.632 1.00 0.00 H new ATOM 0 HE3 LYS A 93 8.785 4.529 10.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 8.006 1.960 11.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 8.289 2.941 12.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 6.706 2.725 11.828 1.00 0.00 H new ATOM 1307 N TYR A 94 4.499 7.784 7.084 1.00 0.00 N ATOM 1308 CA TYR A 94 4.676 8.944 6.218 1.00 0.00 C ATOM 1309 C TYR A 94 5.263 10.119 6.995 1.00 0.00 C ATOM 1310 O TYR A 94 4.670 10.596 7.962 1.00 0.00 O ATOM 1311 CB TYR A 94 3.340 9.348 5.592 1.00 0.00 C ATOM 1312 CG TYR A 94 3.486 10.151 4.319 1.00 0.00 C ATOM 1313 CD1 TYR A 94 3.978 11.450 4.347 1.00 0.00 C ATOM 1314 CD2 TYR A 94 3.133 9.610 3.089 1.00 0.00 C ATOM 1315 CE1 TYR A 94 4.112 12.187 3.186 1.00 0.00 C ATOM 1316 CE2 TYR A 94 3.265 10.339 1.924 1.00 0.00 C ATOM 1317 CZ TYR A 94 3.755 11.627 1.977 1.00 0.00 C ATOM 1318 OH TYR A 94 3.888 12.358 0.819 1.00 0.00 O ATOM 0 H TYR A 94 4.190 8.007 8.030 1.00 0.00 H new ATOM 0 HA TYR A 94 5.373 8.671 5.426 1.00 0.00 H new ATOM 0 HB2 TYR A 94 2.761 8.449 5.380 1.00 0.00 H new ATOM 0 HB3 TYR A 94 2.771 9.931 6.316 1.00 0.00 H new ATOM 0 HD1 TYR A 94 4.260 11.891 5.292 1.00 0.00 H new ATOM 0 HD2 TYR A 94 2.749 8.602 3.043 1.00 0.00 H new ATOM 0 HE1 TYR A 94 4.494 13.196 3.225 1.00 0.00 H new ATOM 0 HE2 TYR A 94 2.986 9.903 0.976 1.00 0.00 H new ATOM 0 HH TYR A 94 3.594 11.818 0.056 1.00 0.00 H new ATOM 1328 N ASN A 95 6.431 10.581 6.562 1.00 0.00 N ATOM 1329 CA ASN A 95 7.100 11.701 7.216 1.00 0.00 C ATOM 1330 C ASN A 95 7.581 11.308 8.609 1.00 0.00 C ATOM 1331 O ASN A 95 7.667 12.147 9.506 1.00 0.00 O ATOM 1332 CB ASN A 95 6.155 12.901 7.309 1.00 0.00 C ATOM 1333 CG ASN A 95 6.896 14.201 7.557 1.00 0.00 C ATOM 1334 OD1 ASN A 95 7.785 14.577 6.794 1.00 0.00 O ATOM 1335 ND2 ASN A 95 6.531 14.894 8.630 1.00 0.00 N ATOM 0 H ASN A 95 6.934 10.198 5.762 1.00 0.00 H new ATOM 0 HA ASN A 95 7.968 11.976 6.616 1.00 0.00 H new ATOM 0 HB2 ASN A 95 5.583 12.982 6.385 1.00 0.00 H new ATOM 0 HB3 ASN A 95 5.439 12.735 8.114 1.00 0.00 H new ATOM 0 HD21 ASN A 95 6.993 15.776 8.849 1.00 0.00 H new ATOM 0 HD22 ASN A 95 5.788 14.544 9.235 1.00 0.00 H new ATOM 1342 N ASP A 96 7.894 10.029 8.783 1.00 0.00 N ATOM 1343 CA ASP A 96 8.368 9.525 10.067 1.00 0.00 C ATOM 1344 C ASP A 96 7.241 9.510 11.094 1.00 0.00 C ATOM 1345 O ASP A 96 7.398 10.003 12.212 1.00 0.00 O ATOM 1346 CB ASP A 96 9.529 10.381 10.577 1.00 0.00 C ATOM 1347 CG ASP A 96 10.474 10.795 9.466 1.00 0.00 C ATOM 1348 OD1 ASP A 96 10.231 11.850 8.842 1.00 0.00 O ATOM 1349 OD2 ASP A 96 11.458 10.066 9.222 1.00 0.00 O ATOM 0 H ASP A 96 7.828 9.322 8.051 1.00 0.00 H new ATOM 0 HA ASP A 96 8.717 8.502 9.922 1.00 0.00 H new ATOM 0 HB2 ASP A 96 9.133 11.272 11.064 1.00 0.00 H new ATOM 0 HB3 ASP A 96 10.083 9.824 11.333 1.00 0.00 H new ATOM 1354 N LYS A 97 6.104 8.941 10.709 1.00 0.00 N ATOM 1355 CA LYS A 97 4.949 8.860 11.596 1.00 0.00 C ATOM 1356 C LYS A 97 3.885 7.931 11.021 1.00 0.00 C ATOM 1357 O LYS A 97 3.732 7.824 9.804 1.00 0.00 O ATOM 1358 CB LYS A 97 4.357 10.253 11.823 1.00 0.00 C ATOM 1359 CG LYS A 97 3.332 10.656 10.777 1.00 0.00 C ATOM 1360 CD LYS A 97 1.928 10.236 11.180 1.00 0.00 C ATOM 1361 CE LYS A 97 1.239 11.314 12.003 1.00 0.00 C ATOM 1362 NZ LYS A 97 1.127 12.596 11.254 1.00 0.00 N ATOM 0 H LYS A 97 5.957 8.529 9.788 1.00 0.00 H new ATOM 0 HA LYS A 97 5.283 8.453 12.551 1.00 0.00 H new ATOM 0 HB2 LYS A 97 3.891 10.284 12.808 1.00 0.00 H new ATOM 0 HB3 LYS A 97 5.164 10.985 11.829 1.00 0.00 H new ATOM 0 HG2 LYS A 97 3.362 11.736 10.634 1.00 0.00 H new ATOM 0 HG3 LYS A 97 3.589 10.200 9.821 1.00 0.00 H new ATOM 0 HD2 LYS A 97 1.339 10.026 10.287 1.00 0.00 H new ATOM 0 HD3 LYS A 97 1.975 9.311 11.755 1.00 0.00 H new ATOM 0 HE2 LYS A 97 0.244 10.972 12.289 1.00 0.00 H new ATOM 0 HE3 LYS A 97 1.797 11.479 12.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 0.147 12.941 11.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 1.764 13.302 11.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 1.392 12.442 10.260 1.00 0.00 H new ATOM 1376 N HIS A 98 3.152 7.261 11.904 1.00 0.00 N ATOM 1377 CA HIS A 98 2.100 6.342 11.484 1.00 0.00 C ATOM 1378 C HIS A 98 0.810 7.096 11.175 1.00 0.00 C ATOM 1379 O HIS A 98 0.322 7.872 11.997 1.00 0.00 O ATOM 1380 CB HIS A 98 1.845 5.295 12.568 1.00 0.00 C ATOM 1381 CG HIS A 98 2.710 4.079 12.443 1.00 0.00 C ATOM 1382 ND1 HIS A 98 2.247 2.872 11.962 1.00 0.00 N ATOM 1383 CD2 HIS A 98 4.017 3.888 12.736 1.00 0.00 C ATOM 1384 CE1 HIS A 98 3.231 1.991 11.967 1.00 0.00 C ATOM 1385 NE2 HIS A 98 4.317 2.583 12.432 1.00 0.00 N ATOM 0 H HIS A 98 3.267 7.337 12.915 1.00 0.00 H new ATOM 0 HA HIS A 98 2.433 5.840 10.576 1.00 0.00 H new ATOM 0 HB2 HIS A 98 2.010 5.749 13.545 1.00 0.00 H new ATOM 0 HB3 HIS A 98 0.799 4.992 12.529 1.00 0.00 H new ATOM 0 HD1 HIS A 98 1.293 2.688 11.651 1.00 0.00 H new ATOM 0 HD2 HIS A 98 4.698 4.625 13.135 1.00 0.00 H new ATOM 0 HE1 HIS A 98 3.160 0.962 11.646 1.00 0.00 H new ATOM 1393 N ILE A 99 0.265 6.864 9.986 1.00 0.00 N ATOM 1394 CA ILE A 99 -0.967 7.522 9.570 1.00 0.00 C ATOM 1395 C ILE A 99 -2.140 7.099 10.448 1.00 0.00 C ATOM 1396 O ILE A 99 -2.127 6.040 11.075 1.00 0.00 O ATOM 1397 CB ILE A 99 -1.303 7.210 8.099 1.00 0.00 C ATOM 1398 CG1 ILE A 99 -0.975 5.751 7.777 1.00 0.00 C ATOM 1399 CG2 ILE A 99 -0.543 8.146 7.172 1.00 0.00 C ATOM 1400 CD1 ILE A 99 -1.753 5.202 6.602 1.00 0.00 C ATOM 0 H ILE A 99 0.657 6.225 9.294 1.00 0.00 H new ATOM 0 HA ILE A 99 -0.804 8.594 9.678 1.00 0.00 H new ATOM 0 HB ILE A 99 -2.371 7.366 7.945 1.00 0.00 H new ATOM 0 HG12 ILE A 99 0.091 5.664 7.569 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -1.179 5.139 8.655 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -0.791 7.913 6.136 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -0.821 9.177 7.388 1.00 0.00 H new ATOM 0 HG23 ILE A 99 0.529 8.019 7.326 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -1.470 4.163 6.431 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -2.821 5.256 6.815 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -1.530 5.790 5.712 1.00 0.00 H new ATOM 1412 N PRO A 100 -3.180 7.945 10.494 1.00 0.00 N ATOM 1413 CA PRO A 100 -4.381 7.679 11.290 1.00 0.00 C ATOM 1414 C PRO A 100 -5.212 6.534 10.722 1.00 0.00 C ATOM 1415 O PRO A 100 -5.809 6.658 9.653 1.00 0.00 O ATOM 1416 CB PRO A 100 -5.159 8.995 11.209 1.00 0.00 C ATOM 1417 CG PRO A 100 -4.702 9.628 9.940 1.00 0.00 C ATOM 1418 CD PRO A 100 -3.263 9.225 9.771 1.00 0.00 C ATOM 0 HA PRO A 100 -4.136 7.374 12.307 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -6.235 8.819 11.199 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -4.949 9.633 12.068 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -5.304 9.290 9.096 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -4.801 10.713 9.987 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -2.999 9.111 8.720 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -2.586 9.968 10.191 1.00 0.00 H new ATOM 1426 N GLY A 101 -5.247 5.418 11.445 1.00 0.00 N ATOM 1427 CA GLY A 101 -6.008 4.267 10.996 1.00 0.00 C ATOM 1428 C GLY A 101 -5.147 3.029 10.838 1.00 0.00 C ATOM 1429 O GLY A 101 -5.663 1.919 10.704 1.00 0.00 O ATOM 0 H GLY A 101 -4.762 5.291 12.333 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -6.806 4.062 11.709 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -6.484 4.499 10.043 1.00 0.00 H new ATOM 1433 N SER A 102 -3.832 3.219 10.852 1.00 0.00 N ATOM 1434 CA SER A 102 -2.898 2.109 10.704 1.00 0.00 C ATOM 1435 C SER A 102 -2.339 1.684 12.058 1.00 0.00 C ATOM 1436 O SER A 102 -2.390 2.426 13.040 1.00 0.00 O ATOM 1437 CB SER A 102 -1.753 2.500 9.767 1.00 0.00 C ATOM 1438 OG SER A 102 -2.043 2.136 8.428 1.00 0.00 O ATOM 0 H SER A 102 -3.389 4.131 10.964 1.00 0.00 H new ATOM 0 HA SER A 102 -3.439 1.266 10.274 1.00 0.00 H new ATOM 0 HB2 SER A 102 -1.581 3.575 9.826 1.00 0.00 H new ATOM 0 HB3 SER A 102 -0.833 2.012 10.089 1.00 0.00 H new ATOM 0 HG SER A 102 -3.014 2.125 8.295 1.00 0.00 H new ATOM 1444 N PRO A 103 -1.793 0.461 12.115 1.00 0.00 N ATOM 1445 CA PRO A 103 -1.727 -0.431 10.953 1.00 0.00 C ATOM 1446 C PRO A 103 -3.100 -0.956 10.547 1.00 0.00 C ATOM 1447 O PRO A 103 -4.004 -1.064 11.376 1.00 0.00 O ATOM 1448 CB PRO A 103 -0.837 -1.579 11.437 1.00 0.00 C ATOM 1449 CG PRO A 103 -0.996 -1.582 12.919 1.00 0.00 C ATOM 1450 CD PRO A 103 -1.197 -0.146 13.317 1.00 0.00 C ATOM 0 HA PRO A 103 -1.345 0.079 10.069 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -1.147 -2.530 11.004 1.00 0.00 H new ATOM 0 HB3 PRO A 103 0.203 -1.422 11.151 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -1.848 -2.193 13.219 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -0.115 -2.002 13.405 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -1.856 -0.057 14.181 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -0.255 0.333 13.584 1.00 0.00 H new ATOM 1458 N PHE A 104 -3.249 -1.283 9.268 1.00 0.00 N ATOM 1459 CA PHE A 104 -4.512 -1.797 8.752 1.00 0.00 C ATOM 1460 C PHE A 104 -4.552 -3.320 8.829 1.00 0.00 C ATOM 1461 O PHE A 104 -3.512 -3.980 8.850 1.00 0.00 O ATOM 1462 CB PHE A 104 -4.719 -1.343 7.306 1.00 0.00 C ATOM 1463 CG PHE A 104 -5.021 0.123 7.174 1.00 0.00 C ATOM 1464 CD1 PHE A 104 -6.208 0.645 7.662 1.00 0.00 C ATOM 1465 CD2 PHE A 104 -4.118 0.978 6.563 1.00 0.00 C ATOM 1466 CE1 PHE A 104 -6.489 1.993 7.544 1.00 0.00 C ATOM 1467 CE2 PHE A 104 -4.394 2.327 6.442 1.00 0.00 C ATOM 1468 CZ PHE A 104 -5.581 2.835 6.932 1.00 0.00 C ATOM 0 H PHE A 104 -2.510 -1.201 8.569 1.00 0.00 H new ATOM 0 HA PHE A 104 -5.317 -1.398 9.370 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -3.823 -1.574 6.729 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -5.537 -1.915 6.868 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -6.922 -0.009 8.140 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -3.188 0.586 6.177 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -7.417 2.388 7.930 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -3.682 2.983 5.964 1.00 0.00 H new ATOM 0 HZ PHE A 104 -5.799 3.889 6.837 1.00 0.00 H new ATOM 1478 N THR A 105 -5.760 -3.873 8.872 1.00 0.00 N ATOM 1479 CA THR A 105 -5.937 -5.318 8.949 1.00 0.00 C ATOM 1480 C THR A 105 -6.776 -5.832 7.785 1.00 0.00 C ATOM 1481 O THR A 105 -7.940 -5.461 7.634 1.00 0.00 O ATOM 1482 CB THR A 105 -6.608 -5.732 10.272 1.00 0.00 C ATOM 1483 OG1 THR A 105 -5.902 -5.161 11.380 1.00 0.00 O ATOM 1484 CG2 THR A 105 -6.641 -7.246 10.412 1.00 0.00 C ATOM 0 H THR A 105 -6.631 -3.342 8.855 1.00 0.00 H new ATOM 0 HA THR A 105 -4.942 -5.761 8.900 1.00 0.00 H new ATOM 0 HB THR A 105 -7.633 -5.361 10.265 1.00 0.00 H new ATOM 0 HG1 THR A 105 -6.336 -5.428 12.217 1.00 0.00 H new ATOM 0 HG21 THR A 105 -7.119 -7.514 11.354 1.00 0.00 H new ATOM 0 HG22 THR A 105 -7.204 -7.676 9.584 1.00 0.00 H new ATOM 0 HG23 THR A 105 -5.623 -7.635 10.399 1.00 0.00 H new ATOM 1492 N ALA A 106 -6.178 -6.688 6.963 1.00 0.00 N ATOM 1493 CA ALA A 106 -6.871 -7.256 5.814 1.00 0.00 C ATOM 1494 C ALA A 106 -7.270 -8.704 6.073 1.00 0.00 C ATOM 1495 O ALA A 106 -6.415 -9.576 6.233 1.00 0.00 O ATOM 1496 CB ALA A 106 -5.999 -7.161 4.571 1.00 0.00 C ATOM 0 H ALA A 106 -5.214 -7.003 7.072 1.00 0.00 H new ATOM 0 HA ALA A 106 -7.782 -6.680 5.650 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -6.530 -7.589 3.721 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -5.770 -6.115 4.366 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -5.072 -7.710 4.734 1.00 0.00 H new ATOM 1502 N LYS A 107 -8.574 -8.956 6.114 1.00 0.00 N ATOM 1503 CA LYS A 107 -9.088 -10.299 6.353 1.00 0.00 C ATOM 1504 C LYS A 107 -9.050 -11.132 5.075 1.00 0.00 C ATOM 1505 O LYS A 107 -10.024 -11.175 4.323 1.00 0.00 O ATOM 1506 CB LYS A 107 -10.520 -10.233 6.889 1.00 0.00 C ATOM 1507 CG LYS A 107 -11.118 -11.594 7.196 1.00 0.00 C ATOM 1508 CD LYS A 107 -12.405 -11.470 7.995 1.00 0.00 C ATOM 1509 CE LYS A 107 -13.528 -10.881 7.155 1.00 0.00 C ATOM 1510 NZ LYS A 107 -14.112 -11.888 6.226 1.00 0.00 N ATOM 0 H LYS A 107 -9.295 -8.246 5.985 1.00 0.00 H new ATOM 0 HA LYS A 107 -8.451 -10.777 7.097 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -10.532 -9.627 7.795 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -11.149 -9.725 6.158 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -11.317 -12.124 6.264 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -10.398 -12.191 7.755 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -12.702 -12.452 8.364 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -12.233 -10.840 8.868 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -14.309 -10.496 7.811 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -13.148 -10.035 6.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -14.874 -11.448 5.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -13.373 -12.237 5.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -14.498 -12.683 6.774 1.00 0.00 H new ATOM 1524 N ILE A 108 -7.921 -11.791 4.838 1.00 0.00 N ATOM 1525 CA ILE A 108 -7.759 -12.624 3.652 1.00 0.00 C ATOM 1526 C ILE A 108 -8.173 -14.065 3.932 1.00 0.00 C ATOM 1527 O ILE A 108 -8.005 -14.567 5.044 1.00 0.00 O ATOM 1528 CB ILE A 108 -6.304 -12.609 3.148 1.00 0.00 C ATOM 1529 CG1 ILE A 108 -5.840 -11.171 2.909 1.00 0.00 C ATOM 1530 CG2 ILE A 108 -6.176 -13.432 1.875 1.00 0.00 C ATOM 1531 CD1 ILE A 108 -4.706 -11.060 1.913 1.00 0.00 C ATOM 0 H ILE A 108 -7.106 -11.765 5.450 1.00 0.00 H new ATOM 0 HA ILE A 108 -8.406 -12.205 2.881 1.00 0.00 H new ATOM 0 HB ILE A 108 -5.665 -13.055 3.911 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -6.684 -10.580 2.554 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -5.524 -10.737 3.858 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -5.142 -13.412 1.531 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -6.471 -14.462 2.076 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -6.823 -13.013 1.104 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -4.429 -10.013 1.793 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -3.847 -11.624 2.276 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -5.025 -11.463 0.952 1.00 0.00 H new ATOM 1543 N THR A 109 -8.714 -14.728 2.915 1.00 0.00 N ATOM 1544 CA THR A 109 -9.152 -16.111 3.050 1.00 0.00 C ATOM 1545 C THR A 109 -8.502 -16.999 1.995 1.00 0.00 C ATOM 1546 O THR A 109 -7.673 -16.540 1.209 1.00 0.00 O ATOM 1547 CB THR A 109 -10.683 -16.230 2.933 1.00 0.00 C ATOM 1548 OG1 THR A 109 -11.075 -16.169 1.557 1.00 0.00 O ATOM 1549 CG2 THR A 109 -11.373 -15.121 3.712 1.00 0.00 C ATOM 0 H THR A 109 -8.859 -14.329 1.988 1.00 0.00 H new ATOM 0 HA THR A 109 -8.844 -16.444 4.041 1.00 0.00 H new ATOM 0 HB THR A 109 -10.984 -17.189 3.354 1.00 0.00 H new ATOM 0 HG1 THR A 109 -12.050 -16.247 1.491 1.00 0.00 H new ATOM 0 HG21 THR A 109 -12.454 -15.226 3.614 1.00 0.00 H new ATOM 0 HG22 THR A 109 -11.095 -15.188 4.764 1.00 0.00 H new ATOM 0 HG23 THR A 109 -11.065 -14.153 3.317 1.00 0.00 H new ATOM 1557 N ASP A 110 -8.884 -18.271 1.982 1.00 0.00 N ATOM 1558 CA ASP A 110 -8.340 -19.224 1.021 1.00 0.00 C ATOM 1559 C ASP A 110 -9.345 -19.510 -0.089 1.00 0.00 C ATOM 1560 O ASP A 110 -10.555 -19.400 0.111 1.00 0.00 O ATOM 1561 CB ASP A 110 -7.953 -20.526 1.724 1.00 0.00 C ATOM 1562 CG ASP A 110 -9.094 -21.524 1.763 1.00 0.00 C ATOM 1563 OD1 ASP A 110 -10.038 -21.316 2.554 1.00 0.00 O ATOM 1564 OD2 ASP A 110 -9.043 -22.512 1.001 1.00 0.00 O ATOM 0 H ASP A 110 -9.569 -18.667 2.626 1.00 0.00 H new ATOM 0 HA ASP A 110 -7.449 -18.783 0.575 1.00 0.00 H new ATOM 0 HB2 ASP A 110 -7.101 -20.973 1.212 1.00 0.00 H new ATOM 0 HB3 ASP A 110 -7.633 -20.305 2.742 1.00 0.00 H new ATOM 1569 N ASP A 111 -8.837 -19.877 -1.261 1.00 0.00 N ATOM 1570 CA ASP A 111 -9.691 -20.179 -2.404 1.00 0.00 C ATOM 1571 C ASP A 111 -9.243 -21.465 -3.091 1.00 0.00 C ATOM 1572 O ASP A 111 -9.976 -22.453 -3.119 1.00 0.00 O ATOM 1573 CB ASP A 111 -9.672 -19.020 -3.402 1.00 0.00 C ATOM 1574 CG ASP A 111 -10.968 -18.906 -4.181 1.00 0.00 C ATOM 1575 OD1 ASP A 111 -12.021 -18.680 -3.550 1.00 0.00 O ATOM 1576 OD2 ASP A 111 -10.928 -19.044 -5.422 1.00 0.00 O ATOM 0 H ASP A 111 -7.838 -19.972 -1.444 1.00 0.00 H new ATOM 0 HA ASP A 111 -10.709 -20.318 -2.040 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -9.489 -18.087 -2.868 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -8.844 -19.157 -4.098 1.00 0.00 H new ATOM 1581 N SER A 112 -8.035 -21.444 -3.646 1.00 0.00 N ATOM 1582 CA SER A 112 -7.492 -22.607 -4.338 1.00 0.00 C ATOM 1583 C SER A 112 -7.474 -23.826 -3.420 1.00 0.00 C ATOM 1584 O SER A 112 -6.473 -24.105 -2.760 1.00 0.00 O ATOM 1585 CB SER A 112 -6.077 -22.313 -4.841 1.00 0.00 C ATOM 1586 OG SER A 112 -5.188 -22.090 -3.761 1.00 0.00 O ATOM 0 H SER A 112 -7.414 -20.635 -3.630 1.00 0.00 H new ATOM 0 HA SER A 112 -8.135 -22.825 -5.190 1.00 0.00 H new ATOM 0 HB2 SER A 112 -5.721 -23.149 -5.443 1.00 0.00 H new ATOM 0 HB3 SER A 112 -6.093 -21.437 -5.490 1.00 0.00 H new ATOM 0 HG SER A 112 -5.253 -22.833 -3.125 1.00 0.00 H new ATOM 1592 N ARG A 113 -8.589 -24.548 -3.384 1.00 0.00 N ATOM 1593 CA ARG A 113 -8.703 -25.736 -2.547 1.00 0.00 C ATOM 1594 C ARG A 113 -8.448 -27.002 -3.361 1.00 0.00 C ATOM 1595 O ARG A 113 -9.358 -27.542 -3.989 1.00 0.00 O ATOM 1596 CB ARG A 113 -10.089 -25.802 -1.904 1.00 0.00 C ATOM 1597 CG ARG A 113 -10.160 -26.731 -0.703 1.00 0.00 C ATOM 1598 CD ARG A 113 -9.598 -26.070 0.546 1.00 0.00 C ATOM 1599 NE ARG A 113 -9.417 -27.025 1.636 1.00 0.00 N ATOM 1600 CZ ARG A 113 -8.656 -26.791 2.699 1.00 0.00 C ATOM 1601 NH1 ARG A 113 -8.008 -25.639 2.814 1.00 0.00 N ATOM 1602 NH2 ARG A 113 -8.541 -27.709 3.650 1.00 0.00 N ATOM 0 H ARG A 113 -9.426 -24.331 -3.925 1.00 0.00 H new ATOM 0 HA ARG A 113 -7.949 -25.670 -1.763 1.00 0.00 H new ATOM 0 HB2 ARG A 113 -10.385 -24.799 -1.595 1.00 0.00 H new ATOM 0 HB3 ARG A 113 -10.811 -26.132 -2.651 1.00 0.00 H new ATOM 0 HG2 ARG A 113 -11.196 -27.022 -0.527 1.00 0.00 H new ATOM 0 HG3 ARG A 113 -9.604 -27.644 -0.914 1.00 0.00 H new ATOM 0 HD2 ARG A 113 -8.642 -25.603 0.310 1.00 0.00 H new ATOM 0 HD3 ARG A 113 -10.270 -25.275 0.869 1.00 0.00 H new ATOM 0 HE ARG A 113 -9.902 -27.921 1.578 1.00 0.00 H new ATOM 0 HH11 ARG A 113 -8.094 -24.931 2.085 1.00 0.00 H new ATOM 0 HH12 ARG A 113 -7.424 -25.462 3.631 1.00 0.00 H new ATOM 0 HH21 ARG A 113 -9.037 -28.596 3.565 1.00 0.00 H new ATOM 0 HH22 ARG A 113 -7.956 -27.528 4.466 1.00 0.00 H new ATOM 1616 N ARG A 114 -7.203 -27.468 -3.346 1.00 0.00 N ATOM 1617 CA ARG A 114 -6.828 -28.667 -4.085 1.00 0.00 C ATOM 1618 C ARG A 114 -7.477 -29.906 -3.474 1.00 0.00 C ATOM 1619 O ARG A 114 -7.797 -29.930 -2.285 1.00 0.00 O ATOM 1620 CB ARG A 114 -5.307 -28.829 -4.097 1.00 0.00 C ATOM 1621 CG ARG A 114 -4.818 -29.921 -5.035 1.00 0.00 C ATOM 1622 CD ARG A 114 -4.988 -29.522 -6.492 1.00 0.00 C ATOM 1623 NE ARG A 114 -5.142 -30.684 -7.363 1.00 0.00 N ATOM 1624 CZ ARG A 114 -4.141 -31.491 -7.696 1.00 0.00 C ATOM 1625 NH1 ARG A 114 -2.920 -31.265 -7.231 1.00 0.00 N ATOM 1626 NH2 ARG A 114 -4.361 -32.529 -8.494 1.00 0.00 N ATOM 0 H ARG A 114 -6.438 -27.033 -2.830 1.00 0.00 H new ATOM 0 HA ARG A 114 -7.183 -28.559 -5.110 1.00 0.00 H new ATOM 0 HB2 ARG A 114 -4.852 -27.882 -4.387 1.00 0.00 H new ATOM 0 HB3 ARG A 114 -4.966 -29.051 -3.086 1.00 0.00 H new ATOM 0 HG2 ARG A 114 -3.767 -30.131 -4.834 1.00 0.00 H new ATOM 0 HG3 ARG A 114 -5.369 -30.841 -4.842 1.00 0.00 H new ATOM 0 HD2 ARG A 114 -5.860 -28.876 -6.592 1.00 0.00 H new ATOM 0 HD3 ARG A 114 -4.123 -28.941 -6.812 1.00 0.00 H new ATOM 0 HE ARG A 114 -6.069 -30.887 -7.736 1.00 0.00 H new ATOM 0 HH11 ARG A 114 -2.748 -30.470 -6.616 1.00 0.00 H new ATOM 0 HH12 ARG A 114 -2.153 -31.886 -7.488 1.00 0.00 H new ATOM 0 HH21 ARG A 114 -5.299 -32.707 -8.852 1.00 0.00 H new ATOM 0 HH22 ARG A 114 -3.592 -33.148 -8.749 1.00 0.00 H new ATOM 1640 N CYS A 115 -7.668 -30.933 -4.295 1.00 0.00 N ATOM 1641 CA CYS A 115 -8.280 -32.175 -3.837 1.00 0.00 C ATOM 1642 C CYS A 115 -7.444 -33.380 -4.257 1.00 0.00 C ATOM 1643 O CYS A 115 -7.839 -34.526 -4.044 1.00 0.00 O ATOM 1644 CB CYS A 115 -9.699 -32.304 -4.393 1.00 0.00 C ATOM 1645 SG CYS A 115 -10.919 -31.271 -3.547 1.00 0.00 S ATOM 0 H CYS A 115 -7.408 -30.930 -5.281 1.00 0.00 H new ATOM 0 HA CYS A 115 -8.326 -32.149 -2.748 1.00 0.00 H new ATOM 0 HB2 CYS A 115 -9.688 -32.043 -5.451 1.00 0.00 H new ATOM 0 HB3 CYS A 115 -10.011 -33.346 -4.325 1.00 0.00 H new ATOM 0 HG CYS A 115 -12.087 -31.447 -4.089 1.00 0.00 H new TER 1651 CYS A 115