USER MOD reduce.3.24.130724 H: found=0, std=0, add=1017, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 1017 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 112 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 121 LYS NZ :NH3+ -153:sc= 0 (180deg=-0.126) USER MOD Set 2.1: A 100 SER OG : rot 9:sc= 0.369 USER MOD Set 2.2: A 102 THR OG1 : rot 180:sc= 0 USER MOD Set 2.3: A 111 ASN : amide:sc= -0.391 X(o=-0.022,f=0.11) USER MOD Set 2.4: A 113 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 81 THR OG1 : rot -128:sc= 1.21 USER MOD Set 3.2: A 93 THR OG1 : rot -160:sc= 1.04 USER MOD Set 4.1: A 19 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 4.2: A 74 MET CE :methyl -168:sc= 0 (180deg=0) USER MOD Set 5.1: A 47 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Set 5.2: A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 SER OG : rot 180:sc= 0.115 USER MOD Single : A 6 LYS NZ :NH3+ -110:sc= -0.0111 (180deg=-0.702) USER MOD Single : A 7 TYR OH : rot 165:sc= 0 USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=-0.016) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= 0.263 K(o=0.26,f=-1.4) USER MOD Single : A 14 ASN : amide:sc= 0.0512 X(o=0.051,f=-0.055) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 43 GLN : amide:sc=0.000139 X(o=0.00014,f=0) USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 177:sc= 0.0112 (180deg=0.0104) USER MOD Single : A 60 GLN : amide:sc= -0.0152 X(o=-0.015,f=-0.2) USER MOD Single : A 61 ASN : amide:sc= -0.023 X(o=-0.023,f=0) USER MOD Single : A 69 CYS SG : rot 6:sc= -0.784 USER MOD Single : A 73 THR OG1 : rot 170:sc= 0 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ -124:sc= 0.0477 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 89 ASN : amide:sc= 0 X(o=0,f=-0.0027) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 THR OG1 : rot 37:sc= 0.0643 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 110 THR OG1 : rot 180:sc= 0 USER MOD Single : A 114 THR OG1 : rot 33:sc= 0.0151 USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 125 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 2 12.773 -9.604 -3.538 1.00 0.00 N ATOM 2 CA SER A 2 11.883 -10.177 -2.521 1.00 0.00 C ATOM 3 C SER A 2 10.859 -9.114 -2.049 1.00 0.00 C ATOM 4 O SER A 2 11.227 -8.010 -1.631 1.00 0.00 O ATOM 5 CB SER A 2 12.715 -10.744 -1.349 1.00 0.00 C ATOM 6 OG SER A 2 11.878 -11.391 -0.396 1.00 0.00 O ATOM 0 HA SER A 2 11.319 -11.004 -2.953 1.00 0.00 H new ATOM 0 HB2 SER A 2 13.452 -11.451 -1.730 1.00 0.00 H new ATOM 0 HB3 SER A 2 13.266 -9.937 -0.866 1.00 0.00 H new ATOM 0 HG SER A 2 12.427 -11.743 0.336 1.00 0.00 H new ATOM 12 N PHE A 3 9.569 -9.496 -2.063 1.00 0.00 N ATOM 13 CA PHE A 3 8.457 -8.656 -1.525 1.00 0.00 C ATOM 14 C PHE A 3 8.438 -8.380 0.013 1.00 0.00 C ATOM 15 O PHE A 3 7.767 -7.424 0.412 1.00 0.00 O ATOM 16 CB PHE A 3 7.097 -9.254 -1.989 1.00 0.00 C ATOM 17 CG PHE A 3 6.653 -8.867 -3.406 1.00 0.00 C ATOM 18 CD1 PHE A 3 5.884 -7.715 -3.605 1.00 0.00 C ATOM 19 CD2 PHE A 3 6.997 -9.662 -4.505 1.00 0.00 C ATOM 20 CE1 PHE A 3 5.465 -7.366 -4.885 1.00 0.00 C ATOM 21 CE2 PHE A 3 6.581 -9.304 -5.784 1.00 0.00 C ATOM 22 CZ PHE A 3 5.816 -8.157 -5.972 1.00 0.00 C ATOM 0 H PHE A 3 9.258 -10.390 -2.443 1.00 0.00 H new ATOM 0 HA PHE A 3 8.639 -7.666 -1.944 1.00 0.00 H new ATOM 0 HB2 PHE A 3 7.159 -10.341 -1.931 1.00 0.00 H new ATOM 0 HB3 PHE A 3 6.324 -8.941 -1.287 1.00 0.00 H new ATOM 0 HD1 PHE A 3 5.615 -7.095 -2.763 1.00 0.00 H new ATOM 0 HD2 PHE A 3 7.587 -10.555 -4.360 1.00 0.00 H new ATOM 0 HE1 PHE A 3 4.866 -6.479 -5.034 1.00 0.00 H new ATOM 0 HE2 PHE A 3 6.852 -9.917 -6.631 1.00 0.00 H new ATOM 0 HZ PHE A 3 5.494 -7.881 -6.965 1.00 0.00 H new ATOM 32 N SER A 4 9.164 -9.142 0.863 1.00 0.00 N ATOM 33 CA SER A 4 9.299 -8.834 2.312 1.00 0.00 C ATOM 34 C SER A 4 10.154 -7.550 2.527 1.00 0.00 C ATOM 35 O SER A 4 11.349 -7.522 2.215 1.00 0.00 O ATOM 36 CB SER A 4 9.906 -10.038 3.068 1.00 0.00 C ATOM 37 OG SER A 4 9.038 -11.166 3.028 1.00 0.00 O ATOM 0 H SER A 4 9.669 -9.979 0.572 1.00 0.00 H new ATOM 0 HA SER A 4 8.305 -8.645 2.717 1.00 0.00 H new ATOM 0 HB2 SER A 4 10.867 -10.300 2.626 1.00 0.00 H new ATOM 0 HB3 SER A 4 10.097 -9.760 4.105 1.00 0.00 H new ATOM 0 HG SER A 4 9.449 -11.912 3.513 1.00 0.00 H new ATOM 43 N GLY A 5 9.493 -6.489 3.014 1.00 0.00 N ATOM 44 CA GLY A 5 10.101 -5.148 3.101 1.00 0.00 C ATOM 45 C GLY A 5 9.081 -4.077 3.533 1.00 0.00 C ATOM 46 O GLY A 5 7.904 -4.112 3.159 1.00 0.00 O ATOM 0 H GLY A 5 8.533 -6.532 3.356 1.00 0.00 H new ATOM 0 HA2 GLY A 5 10.926 -5.170 3.813 1.00 0.00 H new ATOM 0 HA3 GLY A 5 10.522 -4.878 2.133 1.00 0.00 H new ATOM 50 N LYS A 6 9.573 -3.098 4.307 1.00 0.00 N ATOM 51 CA LYS A 6 8.753 -1.963 4.815 1.00 0.00 C ATOM 52 C LYS A 6 9.088 -0.735 3.932 1.00 0.00 C ATOM 53 O LYS A 6 10.194 -0.201 4.018 1.00 0.00 O ATOM 54 CB LYS A 6 9.058 -1.685 6.313 1.00 0.00 C ATOM 55 CG LYS A 6 8.739 -2.848 7.284 1.00 0.00 C ATOM 56 CD LYS A 6 9.037 -2.588 8.778 1.00 0.00 C ATOM 57 CE LYS A 6 8.069 -1.652 9.533 1.00 0.00 C ATOM 58 NZ LYS A 6 8.356 -0.221 9.328 1.00 0.00 N ATOM 0 H LYS A 6 10.548 -3.061 4.604 1.00 0.00 H new ATOM 0 HA LYS A 6 7.689 -2.194 4.756 1.00 0.00 H new ATOM 0 HB2 LYS A 6 10.114 -1.433 6.410 1.00 0.00 H new ATOM 0 HB3 LYS A 6 8.491 -0.808 6.625 1.00 0.00 H new ATOM 0 HG2 LYS A 6 7.683 -3.099 7.183 1.00 0.00 H new ATOM 0 HG3 LYS A 6 9.306 -3.724 6.968 1.00 0.00 H new ATOM 0 HD2 LYS A 6 9.050 -3.549 9.293 1.00 0.00 H new ATOM 0 HD3 LYS A 6 10.041 -2.171 8.856 1.00 0.00 H new ATOM 0 HE2 LYS A 6 7.049 -1.860 9.210 1.00 0.00 H new ATOM 0 HE3 LYS A 6 8.117 -1.875 10.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 8.728 0.188 10.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 9.061 -0.113 8.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 7.482 0.273 9.059 1.00 0.00 H new ATOM 72 N TYR A 7 8.171 -0.327 3.040 1.00 0.00 N ATOM 73 CA TYR A 7 8.518 0.567 1.898 1.00 0.00 C ATOM 74 C TYR A 7 7.943 1.984 2.159 1.00 0.00 C ATOM 75 O TYR A 7 6.737 2.201 2.000 1.00 0.00 O ATOM 76 CB TYR A 7 8.002 -0.026 0.552 1.00 0.00 C ATOM 77 CG TYR A 7 8.512 -1.423 0.136 1.00 0.00 C ATOM 78 CD1 TYR A 7 9.764 -1.577 -0.469 1.00 0.00 C ATOM 79 CD2 TYR A 7 7.695 -2.549 0.309 1.00 0.00 C ATOM 80 CE1 TYR A 7 10.197 -2.834 -0.880 1.00 0.00 C ATOM 81 CE2 TYR A 7 8.129 -3.804 -0.105 1.00 0.00 C ATOM 82 CZ TYR A 7 9.380 -3.949 -0.697 1.00 0.00 C ATOM 83 OH TYR A 7 9.810 -5.190 -1.092 1.00 0.00 O ATOM 0 H TYR A 7 7.187 -0.594 3.078 1.00 0.00 H new ATOM 0 HA TYR A 7 9.602 0.644 1.816 1.00 0.00 H new ATOM 0 HB2 TYR A 7 6.914 -0.068 0.600 1.00 0.00 H new ATOM 0 HB3 TYR A 7 8.259 0.674 -0.243 1.00 0.00 H new ATOM 0 HD1 TYR A 7 10.398 -0.715 -0.618 1.00 0.00 H new ATOM 0 HD2 TYR A 7 6.723 -2.441 0.767 1.00 0.00 H new ATOM 0 HE1 TYR A 7 11.167 -2.946 -1.341 1.00 0.00 H new ATOM 0 HE2 TYR A 7 7.494 -4.667 0.033 1.00 0.00 H new ATOM 0 HH TYR A 7 9.243 -5.878 -0.685 1.00 0.00 H new ATOM 93 N GLN A 8 8.800 2.951 2.546 1.00 0.00 N ATOM 94 CA GLN A 8 8.356 4.332 2.876 1.00 0.00 C ATOM 95 C GLN A 8 8.206 5.205 1.601 1.00 0.00 C ATOM 96 O GLN A 8 9.109 5.272 0.765 1.00 0.00 O ATOM 97 CB GLN A 8 9.288 4.957 3.942 1.00 0.00 C ATOM 98 CG GLN A 8 8.834 6.358 4.417 1.00 0.00 C ATOM 99 CD GLN A 8 9.446 6.804 5.747 1.00 0.00 C ATOM 100 OE1 GLN A 8 10.659 6.952 5.887 1.00 0.00 O ATOM 101 NE2 GLN A 8 8.610 7.043 6.744 1.00 0.00 N ATOM 0 H GLN A 8 9.805 2.806 2.639 1.00 0.00 H new ATOM 0 HA GLN A 8 7.360 4.285 3.315 1.00 0.00 H new ATOM 0 HB2 GLN A 8 9.340 4.290 4.803 1.00 0.00 H new ATOM 0 HB3 GLN A 8 10.296 5.030 3.533 1.00 0.00 H new ATOM 0 HG2 GLN A 8 9.090 7.089 3.650 1.00 0.00 H new ATOM 0 HG3 GLN A 8 7.748 6.362 4.511 1.00 0.00 H new ATOM 0 HE21 GLN A 8 7.607 6.915 6.610 1.00 0.00 H new ATOM 0 HE22 GLN A 8 8.968 7.355 7.646 1.00 0.00 H new ATOM 110 N LEU A 9 7.051 5.887 1.506 1.00 0.00 N ATOM 111 CA LEU A 9 6.606 6.584 0.273 1.00 0.00 C ATOM 112 C LEU A 9 7.374 7.914 0.058 1.00 0.00 C ATOM 113 O LEU A 9 7.260 8.844 0.859 1.00 0.00 O ATOM 114 CB LEU A 9 5.064 6.780 0.371 1.00 0.00 C ATOM 115 CG LEU A 9 4.338 7.395 -0.857 1.00 0.00 C ATOM 116 CD1 LEU A 9 4.433 6.519 -2.117 1.00 0.00 C ATOM 117 CD2 LEU A 9 2.859 7.680 -0.524 1.00 0.00 C ATOM 0 H LEU A 9 6.394 5.974 2.281 1.00 0.00 H new ATOM 0 HA LEU A 9 6.834 5.984 -0.608 1.00 0.00 H new ATOM 0 HB2 LEU A 9 4.614 5.808 0.575 1.00 0.00 H new ATOM 0 HB3 LEU A 9 4.860 7.414 1.234 1.00 0.00 H new ATOM 0 HG LEU A 9 4.852 8.330 -1.081 1.00 0.00 H new ATOM 0 HD11 LEU A 9 3.906 7.005 -2.938 1.00 0.00 H new ATOM 0 HD12 LEU A 9 5.480 6.383 -2.388 1.00 0.00 H new ATOM 0 HD13 LEU A 9 3.980 5.547 -1.920 1.00 0.00 H new ATOM 0 HD21 LEU A 9 2.366 8.111 -1.396 1.00 0.00 H new ATOM 0 HD22 LEU A 9 2.362 6.750 -0.249 1.00 0.00 H new ATOM 0 HD23 LEU A 9 2.802 8.382 0.308 1.00 0.00 H new ATOM 129 N GLN A 10 8.149 7.969 -1.037 1.00 0.00 N ATOM 130 CA GLN A 10 9.014 9.131 -1.373 1.00 0.00 C ATOM 131 C GLN A 10 8.332 10.066 -2.416 1.00 0.00 C ATOM 132 O GLN A 10 8.066 11.228 -2.095 1.00 0.00 O ATOM 133 CB GLN A 10 10.425 8.694 -1.854 1.00 0.00 C ATOM 134 CG GLN A 10 11.243 7.795 -0.899 1.00 0.00 C ATOM 135 CD GLN A 10 12.696 7.603 -1.357 1.00 0.00 C ATOM 136 OE1 GLN A 10 13.635 8.082 -0.721 1.00 0.00 O ATOM 137 NE2 GLN A 10 12.916 6.914 -2.467 1.00 0.00 N ATOM 0 H GLN A 10 8.200 7.213 -1.720 1.00 0.00 H new ATOM 0 HA GLN A 10 9.150 9.697 -0.451 1.00 0.00 H new ATOM 0 HB2 GLN A 10 10.312 8.168 -2.802 1.00 0.00 H new ATOM 0 HB3 GLN A 10 11.008 9.593 -2.056 1.00 0.00 H new ATOM 0 HG2 GLN A 10 11.237 8.233 0.099 1.00 0.00 H new ATOM 0 HG3 GLN A 10 10.760 6.821 -0.822 1.00 0.00 H new ATOM 0 HE21 GLN A 10 12.132 6.521 -2.987 1.00 0.00 H new ATOM 0 HE22 GLN A 10 13.870 6.777 -2.801 1.00 0.00 H new ATOM 146 N SER A 11 8.106 9.578 -3.657 1.00 0.00 N ATOM 147 CA SER A 11 7.801 10.442 -4.831 1.00 0.00 C ATOM 148 C SER A 11 6.570 9.894 -5.598 1.00 0.00 C ATOM 149 O SER A 11 6.454 8.687 -5.838 1.00 0.00 O ATOM 150 CB SER A 11 9.032 10.514 -5.764 1.00 0.00 C ATOM 151 OG SER A 11 10.132 11.146 -5.118 1.00 0.00 O ATOM 0 H SER A 11 8.129 8.582 -3.877 1.00 0.00 H new ATOM 0 HA SER A 11 7.567 11.447 -4.480 1.00 0.00 H new ATOM 0 HB2 SER A 11 9.317 9.508 -6.072 1.00 0.00 H new ATOM 0 HB3 SER A 11 8.774 11.064 -6.669 1.00 0.00 H new ATOM 0 HG SER A 11 10.897 11.177 -5.730 1.00 0.00 H new ATOM 157 N GLN A 12 5.656 10.805 -5.979 1.00 0.00 N ATOM 158 CA GLN A 12 4.377 10.445 -6.643 1.00 0.00 C ATOM 159 C GLN A 12 4.196 11.293 -7.930 1.00 0.00 C ATOM 160 O GLN A 12 4.352 12.521 -7.926 1.00 0.00 O ATOM 161 CB GLN A 12 3.151 10.653 -5.711 1.00 0.00 C ATOM 162 CG GLN A 12 3.059 9.755 -4.456 1.00 0.00 C ATOM 163 CD GLN A 12 3.670 10.336 -3.171 1.00 0.00 C ATOM 164 OE1 GLN A 12 4.863 10.203 -2.902 1.00 0.00 O ATOM 165 NE2 GLN A 12 2.854 10.960 -2.333 1.00 0.00 N ATOM 0 H GLN A 12 5.776 11.808 -5.839 1.00 0.00 H new ATOM 0 HA GLN A 12 4.428 9.385 -6.893 1.00 0.00 H new ATOM 0 HB2 GLN A 12 3.148 11.693 -5.384 1.00 0.00 H new ATOM 0 HB3 GLN A 12 2.248 10.502 -6.302 1.00 0.00 H new ATOM 0 HG2 GLN A 12 2.009 9.533 -4.268 1.00 0.00 H new ATOM 0 HG3 GLN A 12 3.552 8.807 -4.674 1.00 0.00 H new ATOM 0 HE21 GLN A 12 1.866 11.065 -2.566 1.00 0.00 H new ATOM 0 HE22 GLN A 12 3.214 11.335 -1.455 1.00 0.00 H new ATOM 174 N GLU A 13 3.792 10.611 -9.015 1.00 0.00 N ATOM 175 CA GLU A 13 3.377 11.264 -10.288 1.00 0.00 C ATOM 176 C GLU A 13 1.947 11.886 -10.198 1.00 0.00 C ATOM 177 O GLU A 13 1.810 13.091 -10.425 1.00 0.00 O ATOM 178 CB GLU A 13 3.531 10.250 -11.455 1.00 0.00 C ATOM 179 CG GLU A 13 3.425 10.847 -12.873 1.00 0.00 C ATOM 180 CD GLU A 13 3.512 9.775 -13.964 1.00 0.00 C ATOM 181 OE1 GLU A 13 4.636 9.332 -14.290 1.00 0.00 O ATOM 182 OE2 GLU A 13 2.456 9.367 -14.498 1.00 0.00 O ATOM 0 H GLU A 13 3.741 9.593 -9.044 1.00 0.00 H new ATOM 0 HA GLU A 13 4.034 12.111 -10.485 1.00 0.00 H new ATOM 0 HB2 GLU A 13 4.498 9.757 -11.359 1.00 0.00 H new ATOM 0 HB3 GLU A 13 2.768 9.479 -11.346 1.00 0.00 H new ATOM 0 HG2 GLU A 13 2.481 11.384 -12.969 1.00 0.00 H new ATOM 0 HG3 GLU A 13 4.223 11.576 -13.018 1.00 0.00 H new ATOM 189 N ASN A 14 0.909 11.078 -9.892 1.00 0.00 N ATOM 190 CA ASN A 14 -0.503 11.543 -9.853 1.00 0.00 C ATOM 191 C ASN A 14 -1.171 11.172 -8.493 1.00 0.00 C ATOM 192 O ASN A 14 -2.100 10.361 -8.446 1.00 0.00 O ATOM 193 CB ASN A 14 -1.249 10.956 -11.092 1.00 0.00 C ATOM 194 CG ASN A 14 -1.079 11.743 -12.407 1.00 0.00 C ATOM 195 OD1 ASN A 14 -1.527 12.883 -12.529 1.00 0.00 O ATOM 196 ND2 ASN A 14 -0.453 11.157 -13.415 1.00 0.00 N ATOM 0 H ASN A 14 1.020 10.090 -9.666 1.00 0.00 H new ATOM 0 HA ASN A 14 -0.554 12.630 -9.914 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -0.901 9.935 -11.253 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -2.312 10.898 -10.859 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -0.339 11.650 -14.301 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -0.084 10.212 -13.306 1.00 0.00 H new ATOM 203 N PHE A 15 -0.739 11.816 -7.387 1.00 0.00 N ATOM 204 CA PHE A 15 -1.424 11.713 -6.062 1.00 0.00 C ATOM 205 C PHE A 15 -2.747 12.540 -6.006 1.00 0.00 C ATOM 206 O PHE A 15 -3.793 11.974 -5.676 1.00 0.00 O ATOM 207 CB PHE A 15 -0.408 12.055 -4.931 1.00 0.00 C ATOM 208 CG PHE A 15 -0.880 11.818 -3.481 1.00 0.00 C ATOM 209 CD1 PHE A 15 -1.587 12.815 -2.798 1.00 0.00 C ATOM 210 CD2 PHE A 15 -0.569 10.627 -2.814 1.00 0.00 C ATOM 211 CE1 PHE A 15 -1.980 12.619 -1.478 1.00 0.00 C ATOM 212 CE2 PHE A 15 -0.944 10.443 -1.486 1.00 0.00 C ATOM 213 CZ PHE A 15 -1.648 11.440 -0.819 1.00 0.00 C ATOM 0 H PHE A 15 0.085 12.418 -7.377 1.00 0.00 H new ATOM 0 HA PHE A 15 -1.754 10.686 -5.906 1.00 0.00 H new ATOM 0 HB2 PHE A 15 0.495 11.467 -5.095 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -0.128 13.104 -5.031 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -1.829 13.741 -3.299 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -0.034 9.845 -3.333 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -2.544 13.384 -0.964 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -0.689 9.527 -0.974 1.00 0.00 H new ATOM 0 HZ PHE A 15 -1.937 11.299 0.212 1.00 0.00 H new ATOM 223 N GLU A 16 -2.700 13.852 -6.324 1.00 0.00 N ATOM 224 CA GLU A 16 -3.892 14.747 -6.319 1.00 0.00 C ATOM 225 C GLU A 16 -4.977 14.388 -7.383 1.00 0.00 C ATOM 226 O GLU A 16 -6.148 14.266 -7.012 1.00 0.00 O ATOM 227 CB GLU A 16 -3.459 16.237 -6.438 1.00 0.00 C ATOM 228 CG GLU A 16 -2.610 16.784 -5.266 1.00 0.00 C ATOM 229 CD GLU A 16 -2.219 18.252 -5.449 1.00 0.00 C ATOM 230 OE1 GLU A 16 -3.050 19.141 -5.159 1.00 0.00 O ATOM 231 OE2 GLU A 16 -1.077 18.525 -5.882 1.00 0.00 O ATOM 0 H GLU A 16 -1.838 14.326 -6.592 1.00 0.00 H new ATOM 0 HA GLU A 16 -4.377 14.586 -5.356 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -2.892 16.359 -7.361 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -4.355 16.850 -6.531 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -3.169 16.675 -4.337 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -1.707 16.182 -5.166 1.00 0.00 H new ATOM 238 N ALA A 17 -4.606 14.190 -8.668 1.00 0.00 N ATOM 239 CA ALA A 17 -5.546 13.720 -9.728 1.00 0.00 C ATOM 240 C ALA A 17 -6.239 12.341 -9.496 1.00 0.00 C ATOM 241 O ALA A 17 -7.429 12.219 -9.799 1.00 0.00 O ATOM 242 CB ALA A 17 -4.817 13.727 -11.086 1.00 0.00 C ATOM 0 H ALA A 17 -3.656 14.348 -9.004 1.00 0.00 H new ATOM 0 HA ALA A 17 -6.374 14.429 -9.700 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -5.497 13.385 -11.866 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -4.483 14.739 -11.314 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -3.955 13.062 -11.039 1.00 0.00 H new ATOM 248 N PHE A 18 -5.526 11.333 -8.950 1.00 0.00 N ATOM 249 CA PHE A 18 -6.118 10.016 -8.579 1.00 0.00 C ATOM 250 C PHE A 18 -7.154 10.102 -7.418 1.00 0.00 C ATOM 251 O PHE A 18 -8.275 9.619 -7.585 1.00 0.00 O ATOM 252 CB PHE A 18 -4.960 9.022 -8.287 1.00 0.00 C ATOM 253 CG PHE A 18 -5.366 7.566 -7.990 1.00 0.00 C ATOM 254 CD1 PHE A 18 -5.655 7.169 -6.677 1.00 0.00 C ATOM 255 CD2 PHE A 18 -5.427 6.624 -9.021 1.00 0.00 C ATOM 256 CE1 PHE A 18 -6.008 5.851 -6.405 1.00 0.00 C ATOM 257 CE2 PHE A 18 -5.769 5.304 -8.743 1.00 0.00 C ATOM 258 CZ PHE A 18 -6.064 4.920 -7.437 1.00 0.00 C ATOM 0 H PHE A 18 -4.528 11.402 -8.752 1.00 0.00 H new ATOM 0 HA PHE A 18 -6.705 9.648 -9.420 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -4.286 9.021 -9.144 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -4.393 9.399 -7.436 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -5.603 7.889 -5.874 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -5.208 6.921 -10.036 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -6.238 5.551 -5.393 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -5.806 4.577 -9.541 1.00 0.00 H new ATOM 0 HZ PHE A 18 -6.337 3.897 -7.225 1.00 0.00 H new ATOM 268 N MET A 19 -6.768 10.690 -6.268 1.00 0.00 N ATOM 269 CA MET A 19 -7.646 10.832 -5.074 1.00 0.00 C ATOM 270 C MET A 19 -8.944 11.664 -5.311 1.00 0.00 C ATOM 271 O MET A 19 -10.022 11.187 -4.946 1.00 0.00 O ATOM 272 CB MET A 19 -6.798 11.336 -3.880 1.00 0.00 C ATOM 273 CG MET A 19 -5.810 10.298 -3.316 1.00 0.00 C ATOM 274 SD MET A 19 -5.068 10.928 -1.801 1.00 0.00 S ATOM 275 CE MET A 19 -4.468 9.386 -1.087 1.00 0.00 C ATOM 0 H MET A 19 -5.836 11.083 -6.134 1.00 0.00 H new ATOM 0 HA MET A 19 -8.041 9.844 -4.837 1.00 0.00 H new ATOM 0 HB2 MET A 19 -6.239 12.218 -4.194 1.00 0.00 H new ATOM 0 HB3 MET A 19 -7.469 11.652 -3.081 1.00 0.00 H new ATOM 0 HG2 MET A 19 -6.328 9.360 -3.116 1.00 0.00 H new ATOM 0 HG3 MET A 19 -5.034 10.084 -4.051 1.00 0.00 H new ATOM 0 HE1 MET A 19 -3.977 9.592 -0.136 1.00 0.00 H new ATOM 0 HE2 MET A 19 -5.307 8.710 -0.923 1.00 0.00 H new ATOM 0 HE3 MET A 19 -3.757 8.921 -1.770 1.00 0.00 H new ATOM 285 N LYS A 20 -8.875 12.836 -5.978 1.00 0.00 N ATOM 286 CA LYS A 20 -10.081 13.558 -6.492 1.00 0.00 C ATOM 287 C LYS A 20 -11.014 12.733 -7.443 1.00 0.00 C ATOM 288 O LYS A 20 -12.236 12.811 -7.287 1.00 0.00 O ATOM 289 CB LYS A 20 -9.669 14.888 -7.190 1.00 0.00 C ATOM 290 CG LYS A 20 -8.986 15.982 -6.337 1.00 0.00 C ATOM 291 CD LYS A 20 -9.888 16.647 -5.277 1.00 0.00 C ATOM 292 CE LYS A 20 -9.175 17.802 -4.547 1.00 0.00 C ATOM 293 NZ LYS A 20 -10.047 18.423 -3.536 1.00 0.00 N ATOM 0 H LYS A 20 -7.996 13.313 -6.179 1.00 0.00 H new ATOM 0 HA LYS A 20 -10.676 13.752 -5.600 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -8.997 14.638 -8.011 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -10.565 15.323 -7.633 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -8.125 15.543 -5.834 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -8.605 16.756 -7.004 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -10.791 17.025 -5.756 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -10.203 15.899 -4.549 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -8.271 17.427 -4.068 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -8.864 18.554 -5.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -9.536 19.196 -3.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -10.898 18.802 -3.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -10.324 17.710 -2.831 1.00 0.00 H new ATOM 307 N ALA A 21 -10.459 11.945 -8.390 1.00 0.00 N ATOM 308 CA ALA A 21 -11.252 11.046 -9.275 1.00 0.00 C ATOM 309 C ALA A 21 -11.982 9.844 -8.596 1.00 0.00 C ATOM 310 O ALA A 21 -13.077 9.497 -9.047 1.00 0.00 O ATOM 311 CB ALA A 21 -10.331 10.550 -10.404 1.00 0.00 C ATOM 0 H ALA A 21 -9.455 11.910 -8.566 1.00 0.00 H new ATOM 0 HA ALA A 21 -12.078 11.655 -9.643 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -10.890 9.889 -11.066 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -9.960 11.403 -10.972 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -9.490 10.006 -9.975 1.00 0.00 H new ATOM 317 N ILE A 22 -11.413 9.222 -7.539 1.00 0.00 N ATOM 318 CA ILE A 22 -12.092 8.134 -6.763 1.00 0.00 C ATOM 319 C ILE A 22 -13.159 8.662 -5.745 1.00 0.00 C ATOM 320 O ILE A 22 -14.247 8.082 -5.673 1.00 0.00 O ATOM 321 CB ILE A 22 -11.094 7.094 -6.136 1.00 0.00 C ATOM 322 CG1 ILE A 22 -10.045 7.683 -5.148 1.00 0.00 C ATOM 323 CG2 ILE A 22 -10.380 6.268 -7.233 1.00 0.00 C ATOM 324 CD1 ILE A 22 -9.322 6.669 -4.244 1.00 0.00 C ATOM 0 H ILE A 22 -10.480 9.449 -7.194 1.00 0.00 H new ATOM 0 HA ILE A 22 -12.660 7.573 -7.505 1.00 0.00 H new ATOM 0 HB ILE A 22 -11.732 6.448 -5.533 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -9.295 8.223 -5.726 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -10.545 8.414 -4.512 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -9.697 5.558 -6.767 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -11.121 5.726 -7.821 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -9.819 6.937 -7.885 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -8.617 7.194 -3.600 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -10.053 6.144 -3.629 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -8.784 5.950 -4.862 1.00 0.00 H new ATOM 336 N GLY A 23 -12.858 9.731 -4.983 1.00 0.00 N ATOM 337 CA GLY A 23 -13.800 10.354 -4.025 1.00 0.00 C ATOM 338 C GLY A 23 -13.170 10.588 -2.640 1.00 0.00 C ATOM 339 O GLY A 23 -13.643 10.018 -1.652 1.00 0.00 O ATOM 0 H GLY A 23 -11.949 10.192 -5.013 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -14.145 11.306 -4.428 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -14.677 9.716 -3.918 1.00 0.00 H new ATOM 343 N LEU A 24 -12.123 11.434 -2.579 1.00 0.00 N ATOM 344 CA LEU A 24 -11.391 11.757 -1.323 1.00 0.00 C ATOM 345 C LEU A 24 -11.544 13.276 -0.966 1.00 0.00 C ATOM 346 O LEU A 24 -11.665 14.108 -1.876 1.00 0.00 O ATOM 347 CB LEU A 24 -9.887 11.369 -1.474 1.00 0.00 C ATOM 348 CG LEU A 24 -9.391 9.976 -0.995 1.00 0.00 C ATOM 349 CD1 LEU A 24 -8.952 9.951 0.477 1.00 0.00 C ATOM 350 CD2 LEU A 24 -10.347 8.804 -1.281 1.00 0.00 C ATOM 0 H LEU A 24 -11.755 11.918 -3.398 1.00 0.00 H new ATOM 0 HA LEU A 24 -11.821 11.179 -0.505 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -9.634 11.457 -2.531 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -9.303 12.121 -0.943 1.00 0.00 H new ATOM 0 HG LEU A 24 -8.511 9.817 -1.619 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -8.619 8.947 0.740 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -8.133 10.656 0.625 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -9.792 10.233 1.112 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -9.909 7.878 -0.908 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -11.300 8.981 -0.782 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -10.510 8.721 -2.356 1.00 0.00 H new ATOM 362 N PRO A 25 -11.494 13.689 0.335 1.00 0.00 N ATOM 363 CA PRO A 25 -11.582 15.115 0.741 1.00 0.00 C ATOM 364 C PRO A 25 -10.275 15.918 0.485 1.00 0.00 C ATOM 365 O PRO A 25 -9.175 15.359 0.477 1.00 0.00 O ATOM 366 CB PRO A 25 -11.892 14.991 2.247 1.00 0.00 C ATOM 367 CG PRO A 25 -11.234 13.687 2.702 1.00 0.00 C ATOM 368 CD PRO A 25 -11.273 12.775 1.474 1.00 0.00 C ATOM 0 HA PRO A 25 -12.324 15.672 0.169 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -11.495 15.843 2.799 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -12.967 14.969 2.424 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -10.210 13.857 3.035 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -11.773 13.244 3.540 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -10.341 12.221 1.362 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -12.073 12.039 1.552 1.00 0.00 H new ATOM 376 N GLU A 26 -10.407 17.251 0.367 1.00 0.00 N ATOM 377 CA GLU A 26 -9.234 18.178 0.379 1.00 0.00 C ATOM 378 C GLU A 26 -8.360 18.153 1.683 1.00 0.00 C ATOM 379 O GLU A 26 -7.150 18.370 1.587 1.00 0.00 O ATOM 380 CB GLU A 26 -9.717 19.607 0.013 1.00 0.00 C ATOM 381 CG GLU A 26 -8.593 20.564 -0.445 1.00 0.00 C ATOM 382 CD GLU A 26 -9.124 21.923 -0.909 1.00 0.00 C ATOM 383 OE1 GLU A 26 -9.486 22.055 -2.099 1.00 0.00 O ATOM 384 OE2 GLU A 26 -9.182 22.865 -0.088 1.00 0.00 O ATOM 0 H GLU A 26 -11.306 17.721 0.262 1.00 0.00 H new ATOM 0 HA GLU A 26 -8.540 17.811 -0.377 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -10.461 19.534 -0.781 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -10.217 20.041 0.879 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -7.892 20.714 0.376 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -8.036 20.100 -1.259 1.00 0.00 H new ATOM 391 N GLU A 27 -8.940 17.846 2.868 1.00 0.00 N ATOM 392 CA GLU A 27 -8.174 17.569 4.113 1.00 0.00 C ATOM 393 C GLU A 27 -7.200 16.351 3.997 1.00 0.00 C ATOM 394 O GLU A 27 -6.006 16.562 4.203 1.00 0.00 O ATOM 395 CB GLU A 27 -9.170 17.450 5.301 1.00 0.00 C ATOM 396 CG GLU A 27 -8.507 17.378 6.695 1.00 0.00 C ATOM 397 CD GLU A 27 -9.520 17.206 7.827 1.00 0.00 C ATOM 398 OE1 GLU A 27 -9.850 16.049 8.171 1.00 0.00 O ATOM 399 OE2 GLU A 27 -9.990 18.224 8.380 1.00 0.00 O ATOM 0 H GLU A 27 -9.951 17.783 2.991 1.00 0.00 H new ATOM 0 HA GLU A 27 -7.505 18.410 4.298 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -9.845 18.306 5.279 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -9.781 16.558 5.158 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -7.803 16.546 6.715 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -7.930 18.287 6.865 1.00 0.00 H new ATOM 406 N LEU A 28 -7.663 15.123 3.664 1.00 0.00 N ATOM 407 CA LEU A 28 -6.753 13.942 3.506 1.00 0.00 C ATOM 408 C LEU A 28 -5.771 13.954 2.288 1.00 0.00 C ATOM 409 O LEU A 28 -4.729 13.296 2.360 1.00 0.00 O ATOM 410 CB LEU A 28 -7.552 12.605 3.520 1.00 0.00 C ATOM 411 CG LEU A 28 -8.362 12.248 4.800 1.00 0.00 C ATOM 412 CD1 LEU A 28 -9.188 10.964 4.574 1.00 0.00 C ATOM 413 CD2 LEU A 28 -7.481 12.086 6.058 1.00 0.00 C ATOM 0 H LEU A 28 -8.648 14.916 3.499 1.00 0.00 H new ATOM 0 HA LEU A 28 -6.106 14.025 4.379 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -8.247 12.623 2.680 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -6.848 11.794 3.334 1.00 0.00 H new ATOM 0 HG LEU A 28 -9.026 13.093 4.984 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -9.749 10.728 5.479 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -9.881 11.118 3.747 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -8.518 10.138 4.336 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -8.110 11.838 6.913 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -6.758 11.287 5.895 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -6.953 13.019 6.255 1.00 0.00 H new ATOM 425 N ILE A 29 -6.071 14.691 1.202 1.00 0.00 N ATOM 426 CA ILE A 29 -5.143 14.892 0.049 1.00 0.00 C ATOM 427 C ILE A 29 -3.981 15.866 0.437 1.00 0.00 C ATOM 428 O ILE A 29 -2.813 15.505 0.277 1.00 0.00 O ATOM 429 CB ILE A 29 -5.939 15.316 -1.241 1.00 0.00 C ATOM 430 CG1 ILE A 29 -6.999 14.248 -1.647 1.00 0.00 C ATOM 431 CG2 ILE A 29 -5.003 15.599 -2.445 1.00 0.00 C ATOM 432 CD1 ILE A 29 -8.028 14.671 -2.705 1.00 0.00 C ATOM 0 H ILE A 29 -6.965 15.170 1.089 1.00 0.00 H new ATOM 0 HA ILE A 29 -4.663 13.946 -0.201 1.00 0.00 H new ATOM 0 HB ILE A 29 -6.453 16.241 -0.981 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -6.472 13.368 -2.016 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -7.538 13.944 -0.750 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -5.600 15.888 -3.310 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -4.318 16.408 -2.191 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -4.432 14.701 -2.681 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -8.709 13.843 -2.902 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -8.594 15.528 -2.340 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -7.512 14.943 -3.626 1.00 0.00 H new ATOM 444 N GLN A 30 -4.295 17.075 0.936 1.00 0.00 N ATOM 445 CA GLN A 30 -3.267 18.057 1.393 1.00 0.00 C ATOM 446 C GLN A 30 -2.475 17.683 2.691 1.00 0.00 C ATOM 447 O GLN A 30 -1.324 18.105 2.833 1.00 0.00 O ATOM 448 CB GLN A 30 -3.912 19.466 1.538 1.00 0.00 C ATOM 449 CG GLN A 30 -4.509 20.112 0.260 1.00 0.00 C ATOM 450 CD GLN A 30 -3.509 20.334 -0.890 1.00 0.00 C ATOM 451 OE1 GLN A 30 -2.604 21.164 -0.802 1.00 0.00 O ATOM 452 NE2 GLN A 30 -3.645 19.599 -1.983 1.00 0.00 N ATOM 0 H GLN A 30 -5.254 17.406 1.038 1.00 0.00 H new ATOM 0 HA GLN A 30 -2.508 18.046 0.610 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -4.705 19.399 2.283 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -3.156 20.143 1.936 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -5.320 19.481 -0.102 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -4.948 21.073 0.529 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -4.398 18.914 -2.046 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -2.997 19.718 -2.761 1.00 0.00 H new ATOM 461 N LYS A 31 -3.066 16.894 3.609 1.00 0.00 N ATOM 462 CA LYS A 31 -2.363 16.315 4.787 1.00 0.00 C ATOM 463 C LYS A 31 -1.465 15.097 4.396 1.00 0.00 C ATOM 464 O LYS A 31 -0.270 15.112 4.703 1.00 0.00 O ATOM 465 CB LYS A 31 -3.440 15.989 5.858 1.00 0.00 C ATOM 466 CG LYS A 31 -2.920 15.593 7.258 1.00 0.00 C ATOM 467 CD LYS A 31 -4.027 15.149 8.240 1.00 0.00 C ATOM 468 CE LYS A 31 -4.977 16.276 8.696 1.00 0.00 C ATOM 469 NZ LYS A 31 -6.034 15.768 9.589 1.00 0.00 N ATOM 0 H LYS A 31 -4.051 16.634 3.560 1.00 0.00 H new ATOM 0 HA LYS A 31 -1.657 17.032 5.207 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -4.087 16.859 5.968 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -4.061 15.176 5.482 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -2.199 14.783 7.150 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -2.386 16.440 7.688 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -4.618 14.363 7.769 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -3.558 14.710 9.120 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -4.405 17.048 9.211 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -5.432 16.745 7.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -6.653 16.553 9.875 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -6.595 15.049 9.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -5.600 15.343 10.434 1.00 0.00 H new ATOM 483 N GLY A 32 -2.025 14.075 3.714 1.00 0.00 N ATOM 484 CA GLY A 32 -1.263 12.893 3.243 1.00 0.00 C ATOM 485 C GLY A 32 -0.186 13.064 2.140 1.00 0.00 C ATOM 486 O GLY A 32 0.679 12.188 2.039 1.00 0.00 O ATOM 0 H GLY A 32 -3.016 14.044 3.474 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -0.773 12.454 4.112 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -1.986 12.162 2.882 1.00 0.00 H new ATOM 490 N LYS A 33 -0.202 14.150 1.335 1.00 0.00 N ATOM 491 CA LYS A 33 0.913 14.481 0.397 1.00 0.00 C ATOM 492 C LYS A 33 2.264 14.847 1.100 1.00 0.00 C ATOM 493 O LYS A 33 3.317 14.350 0.691 1.00 0.00 O ATOM 494 CB LYS A 33 0.446 15.524 -0.661 1.00 0.00 C ATOM 495 CG LYS A 33 0.251 16.984 -0.194 1.00 0.00 C ATOM 496 CD LYS A 33 -0.348 17.929 -1.253 1.00 0.00 C ATOM 497 CE LYS A 33 0.534 18.234 -2.480 1.00 0.00 C ATOM 498 NZ LYS A 33 1.781 18.955 -2.156 1.00 0.00 N ATOM 0 H LYS A 33 -0.973 14.818 1.311 1.00 0.00 H new ATOM 0 HA LYS A 33 1.160 13.564 -0.137 1.00 0.00 H new ATOM 0 HB2 LYS A 33 1.173 15.526 -1.473 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -0.499 15.177 -1.080 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -0.397 16.986 0.682 1.00 0.00 H new ATOM 0 HG3 LYS A 33 1.216 17.381 0.122 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -1.285 17.497 -1.605 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -0.595 18.873 -0.767 1.00 0.00 H new ATOM 0 HE2 LYS A 33 0.786 17.297 -2.976 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -0.042 18.826 -3.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 2.321 19.125 -3.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 1.550 19.865 -1.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 2.352 18.384 -1.501 1.00 0.00 H new ATOM 512 N ASP A 34 2.215 15.670 2.169 1.00 0.00 N ATOM 513 CA ASP A 34 3.380 15.944 3.062 1.00 0.00 C ATOM 514 C ASP A 34 3.854 14.738 3.941 1.00 0.00 C ATOM 515 O ASP A 34 5.052 14.654 4.226 1.00 0.00 O ATOM 516 CB ASP A 34 3.065 17.160 3.979 1.00 0.00 C ATOM 517 CG ASP A 34 2.860 18.504 3.259 1.00 0.00 C ATOM 518 OD1 ASP A 34 3.861 19.205 2.991 1.00 0.00 O ATOM 519 OD2 ASP A 34 1.699 18.858 2.958 1.00 0.00 O ATOM 0 H ASP A 34 1.369 16.168 2.445 1.00 0.00 H new ATOM 0 HA ASP A 34 4.210 16.154 2.387 1.00 0.00 H new ATOM 0 HB2 ASP A 34 2.166 16.935 4.553 1.00 0.00 H new ATOM 0 HB3 ASP A 34 3.880 17.273 4.694 1.00 0.00 H new ATOM 524 N ILE A 35 2.949 13.826 4.366 1.00 0.00 N ATOM 525 CA ILE A 35 3.297 12.624 5.178 1.00 0.00 C ATOM 526 C ILE A 35 3.924 11.550 4.231 1.00 0.00 C ATOM 527 O ILE A 35 3.342 11.182 3.204 1.00 0.00 O ATOM 528 CB ILE A 35 2.037 12.086 5.957 1.00 0.00 C ATOM 529 CG1 ILE A 35 1.436 13.123 6.960 1.00 0.00 C ATOM 530 CG2 ILE A 35 2.321 10.763 6.724 1.00 0.00 C ATOM 531 CD1 ILE A 35 -0.009 12.842 7.404 1.00 0.00 C ATOM 0 H ILE A 35 1.953 13.898 4.158 1.00 0.00 H new ATOM 0 HA ILE A 35 4.031 12.883 5.941 1.00 0.00 H new ATOM 0 HB ILE A 35 1.305 11.897 5.172 1.00 0.00 H new ATOM 0 HG12 ILE A 35 2.071 13.158 7.845 1.00 0.00 H new ATOM 0 HG13 ILE A 35 1.473 14.111 6.502 1.00 0.00 H new ATOM 0 HG21 ILE A 35 1.417 10.441 7.241 1.00 0.00 H new ATOM 0 HG22 ILE A 35 2.629 9.992 6.018 1.00 0.00 H new ATOM 0 HG23 ILE A 35 3.116 10.928 7.451 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -0.334 13.617 8.098 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -0.663 12.838 6.532 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -0.056 11.871 7.897 1.00 0.00 H new ATOM 543 N LYS A 36 5.092 11.022 4.644 1.00 0.00 N ATOM 544 CA LYS A 36 5.743 9.867 3.972 1.00 0.00 C ATOM 545 C LYS A 36 5.224 8.568 4.657 1.00 0.00 C ATOM 546 O LYS A 36 5.730 8.159 5.708 1.00 0.00 O ATOM 547 CB LYS A 36 7.288 9.984 4.023 1.00 0.00 C ATOM 548 CG LYS A 36 7.930 11.070 3.123 1.00 0.00 C ATOM 549 CD LYS A 36 7.866 12.543 3.588 1.00 0.00 C ATOM 550 CE LYS A 36 8.455 12.878 4.975 1.00 0.00 C ATOM 551 NZ LYS A 36 9.915 12.678 5.052 1.00 0.00 N ATOM 0 H LYS A 36 5.613 11.377 5.446 1.00 0.00 H new ATOM 0 HA LYS A 36 5.485 9.846 2.913 1.00 0.00 H new ATOM 0 HB2 LYS A 36 7.581 10.179 5.055 1.00 0.00 H new ATOM 0 HB3 LYS A 36 7.712 9.018 3.748 1.00 0.00 H new ATOM 0 HG2 LYS A 36 8.980 10.810 2.987 1.00 0.00 H new ATOM 0 HG3 LYS A 36 7.457 11.011 2.143 1.00 0.00 H new ATOM 0 HD2 LYS A 36 8.383 13.153 2.847 1.00 0.00 H new ATOM 0 HD3 LYS A 36 6.821 12.852 3.583 1.00 0.00 H new ATOM 0 HE2 LYS A 36 8.224 13.915 5.220 1.00 0.00 H new ATOM 0 HE3 LYS A 36 7.970 12.257 5.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 10.249 12.920 6.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 10.140 11.683 4.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 10.386 13.290 4.356 1.00 0.00 H new ATOM 565 N GLY A 37 4.178 7.956 4.072 1.00 0.00 N ATOM 566 CA GLY A 37 3.471 6.813 4.693 1.00 0.00 C ATOM 567 C GLY A 37 4.107 5.450 4.362 1.00 0.00 C ATOM 568 O GLY A 37 4.360 5.146 3.192 1.00 0.00 O ATOM 0 H GLY A 37 3.800 8.233 3.166 1.00 0.00 H new ATOM 0 HA2 GLY A 37 3.458 6.947 5.775 1.00 0.00 H new ATOM 0 HA3 GLY A 37 2.433 6.812 4.360 1.00 0.00 H new ATOM 572 N VAL A 38 4.335 4.623 5.400 1.00 0.00 N ATOM 573 CA VAL A 38 5.007 3.300 5.245 1.00 0.00 C ATOM 574 C VAL A 38 3.966 2.266 4.716 1.00 0.00 C ATOM 575 O VAL A 38 2.938 2.010 5.351 1.00 0.00 O ATOM 576 CB VAL A 38 5.748 2.812 6.538 1.00 0.00 C ATOM 577 CG1 VAL A 38 6.621 1.562 6.265 1.00 0.00 C ATOM 578 CG2 VAL A 38 6.668 3.871 7.194 1.00 0.00 C ATOM 0 H VAL A 38 4.067 4.840 6.360 1.00 0.00 H new ATOM 0 HA VAL A 38 5.808 3.408 4.514 1.00 0.00 H new ATOM 0 HB VAL A 38 4.932 2.588 7.225 1.00 0.00 H new ATOM 0 HG11 VAL A 38 7.117 1.256 7.186 1.00 0.00 H new ATOM 0 HG12 VAL A 38 5.990 0.749 5.906 1.00 0.00 H new ATOM 0 HG13 VAL A 38 7.371 1.800 5.511 1.00 0.00 H new ATOM 0 HG21 VAL A 38 7.138 3.445 8.081 1.00 0.00 H new ATOM 0 HG22 VAL A 38 7.438 4.173 6.485 1.00 0.00 H new ATOM 0 HG23 VAL A 38 6.076 4.741 7.479 1.00 0.00 H new ATOM 588 N SER A 39 4.275 1.689 3.546 1.00 0.00 N ATOM 589 CA SER A 39 3.449 0.644 2.897 1.00 0.00 C ATOM 590 C SER A 39 4.218 -0.691 3.026 1.00 0.00 C ATOM 591 O SER A 39 5.160 -0.973 2.278 1.00 0.00 O ATOM 592 CB SER A 39 3.202 1.006 1.420 1.00 0.00 C ATOM 593 OG SER A 39 2.466 2.218 1.288 1.00 0.00 O ATOM 0 H SER A 39 5.111 1.932 3.014 1.00 0.00 H new ATOM 0 HA SER A 39 2.473 0.560 3.374 1.00 0.00 H new ATOM 0 HB2 SER A 39 4.158 1.103 0.905 1.00 0.00 H new ATOM 0 HB3 SER A 39 2.659 0.196 0.933 1.00 0.00 H new ATOM 0 HG SER A 39 2.330 2.416 0.338 1.00 0.00 H new ATOM 599 N GLU A 40 3.802 -1.500 4.005 1.00 0.00 N ATOM 600 CA GLU A 40 4.423 -2.808 4.301 1.00 0.00 C ATOM 601 C GLU A 40 3.848 -3.916 3.384 1.00 0.00 C ATOM 602 O GLU A 40 2.677 -3.893 2.989 1.00 0.00 O ATOM 603 CB GLU A 40 4.181 -3.179 5.786 1.00 0.00 C ATOM 604 CG GLU A 40 4.928 -2.340 6.842 1.00 0.00 C ATOM 605 CD GLU A 40 4.049 -1.336 7.593 1.00 0.00 C ATOM 606 OE1 GLU A 40 3.907 -0.187 7.123 1.00 0.00 O ATOM 607 OE2 GLU A 40 3.489 -1.694 8.651 1.00 0.00 O ATOM 0 H GLU A 40 3.022 -1.271 4.621 1.00 0.00 H new ATOM 0 HA GLU A 40 5.494 -2.729 4.113 1.00 0.00 H new ATOM 0 HB2 GLU A 40 3.112 -3.103 5.985 1.00 0.00 H new ATOM 0 HB3 GLU A 40 4.458 -4.224 5.925 1.00 0.00 H new ATOM 0 HG2 GLU A 40 5.387 -3.014 7.565 1.00 0.00 H new ATOM 0 HG3 GLU A 40 5.738 -1.799 6.352 1.00 0.00 H new ATOM 614 N ILE A 41 4.713 -4.890 3.072 1.00 0.00 N ATOM 615 CA ILE A 41 4.324 -6.131 2.346 1.00 0.00 C ATOM 616 C ILE A 41 5.206 -7.248 2.984 1.00 0.00 C ATOM 617 O ILE A 41 6.430 -7.112 3.060 1.00 0.00 O ATOM 618 CB ILE A 41 4.508 -6.070 0.782 1.00 0.00 C ATOM 619 CG1 ILE A 41 3.850 -4.830 0.100 1.00 0.00 C ATOM 620 CG2 ILE A 41 3.987 -7.372 0.115 1.00 0.00 C ATOM 621 CD1 ILE A 41 4.195 -4.609 -1.381 1.00 0.00 C ATOM 0 H ILE A 41 5.704 -4.851 3.310 1.00 0.00 H new ATOM 0 HA ILE A 41 3.254 -6.308 2.455 1.00 0.00 H new ATOM 0 HB ILE A 41 5.582 -5.968 0.627 1.00 0.00 H new ATOM 0 HG12 ILE A 41 2.768 -4.924 0.190 1.00 0.00 H new ATOM 0 HG13 ILE A 41 4.140 -3.939 0.656 1.00 0.00 H new ATOM 0 HG21 ILE A 41 4.124 -7.308 -0.964 1.00 0.00 H new ATOM 0 HG22 ILE A 41 4.543 -8.226 0.501 1.00 0.00 H new ATOM 0 HG23 ILE A 41 2.928 -7.497 0.340 1.00 0.00 H new ATOM 0 HD11 ILE A 41 3.681 -3.720 -1.746 1.00 0.00 H new ATOM 0 HD12 ILE A 41 5.271 -4.475 -1.488 1.00 0.00 H new ATOM 0 HD13 ILE A 41 3.878 -5.475 -1.962 1.00 0.00 H new ATOM 633 N VAL A 42 4.574 -8.360 3.399 1.00 0.00 N ATOM 634 CA VAL A 42 5.289 -9.546 3.955 1.00 0.00 C ATOM 635 C VAL A 42 4.917 -10.740 3.028 1.00 0.00 C ATOM 636 O VAL A 42 3.752 -11.142 2.941 1.00 0.00 O ATOM 637 CB VAL A 42 4.955 -9.800 5.465 1.00 0.00 C ATOM 638 CG1 VAL A 42 5.687 -11.037 6.040 1.00 0.00 C ATOM 639 CG2 VAL A 42 5.263 -8.593 6.384 1.00 0.00 C ATOM 0 H VAL A 42 3.561 -8.472 3.363 1.00 0.00 H new ATOM 0 HA VAL A 42 6.368 -9.390 3.960 1.00 0.00 H new ATOM 0 HB VAL A 42 3.879 -9.974 5.463 1.00 0.00 H new ATOM 0 HG11 VAL A 42 5.418 -11.164 7.089 1.00 0.00 H new ATOM 0 HG12 VAL A 42 5.395 -11.925 5.480 1.00 0.00 H new ATOM 0 HG13 VAL A 42 6.764 -10.894 5.957 1.00 0.00 H new ATOM 0 HG21 VAL A 42 5.006 -8.844 7.413 1.00 0.00 H new ATOM 0 HG22 VAL A 42 6.324 -8.351 6.324 1.00 0.00 H new ATOM 0 HG23 VAL A 42 4.676 -7.732 6.063 1.00 0.00 H new ATOM 649 N GLN A 43 5.934 -11.315 2.365 1.00 0.00 N ATOM 650 CA GLN A 43 5.758 -12.448 1.421 1.00 0.00 C ATOM 651 C GLN A 43 5.652 -13.800 2.176 1.00 0.00 C ATOM 652 O GLN A 43 6.572 -14.197 2.900 1.00 0.00 O ATOM 653 CB GLN A 43 6.941 -12.421 0.420 1.00 0.00 C ATOM 654 CG GLN A 43 6.863 -13.458 -0.725 1.00 0.00 C ATOM 655 CD GLN A 43 7.869 -13.195 -1.858 1.00 0.00 C ATOM 656 OE1 GLN A 43 9.070 -13.032 -1.639 1.00 0.00 O ATOM 657 NE2 GLN A 43 7.401 -13.152 -3.094 1.00 0.00 N ATOM 0 H GLN A 43 6.903 -11.013 2.463 1.00 0.00 H new ATOM 0 HA GLN A 43 4.822 -12.344 0.873 1.00 0.00 H new ATOM 0 HB2 GLN A 43 7.002 -11.425 -0.018 1.00 0.00 H new ATOM 0 HB3 GLN A 43 7.866 -12.583 0.972 1.00 0.00 H new ATOM 0 HG2 GLN A 43 7.039 -14.453 -0.316 1.00 0.00 H new ATOM 0 HG3 GLN A 43 5.854 -13.457 -1.138 1.00 0.00 H new ATOM 0 HE21 GLN A 43 6.405 -13.288 -3.267 1.00 0.00 H new ATOM 0 HE22 GLN A 43 8.036 -12.983 -3.874 1.00 0.00 H new ATOM 666 N ASN A 44 4.530 -14.505 1.955 1.00 0.00 N ATOM 667 CA ASN A 44 4.335 -15.902 2.436 1.00 0.00 C ATOM 668 C ASN A 44 3.815 -16.775 1.248 1.00 0.00 C ATOM 669 O ASN A 44 2.687 -17.281 1.276 1.00 0.00 O ATOM 670 CB ASN A 44 3.381 -15.926 3.671 1.00 0.00 C ATOM 671 CG ASN A 44 3.868 -15.178 4.930 1.00 0.00 C ATOM 672 OD1 ASN A 44 4.809 -15.599 5.602 1.00 0.00 O ATOM 673 ND2 ASN A 44 3.247 -14.055 5.265 1.00 0.00 N ATOM 0 H ASN A 44 3.731 -14.134 1.442 1.00 0.00 H new ATOM 0 HA ASN A 44 5.281 -16.325 2.775 1.00 0.00 H new ATOM 0 HB2 ASN A 44 2.423 -15.501 3.371 1.00 0.00 H new ATOM 0 HB3 ASN A 44 3.198 -16.966 3.941 1.00 0.00 H new ATOM 0 HD21 ASN A 44 3.548 -13.531 6.087 1.00 0.00 H new ATOM 0 HD22 ASN A 44 2.468 -13.715 4.701 1.00 0.00 H new ATOM 680 N GLY A 45 4.641 -16.939 0.187 1.00 0.00 N ATOM 681 CA GLY A 45 4.240 -17.637 -1.058 1.00 0.00 C ATOM 682 C GLY A 45 3.145 -16.897 -1.862 1.00 0.00 C ATOM 683 O GLY A 45 3.364 -15.782 -2.344 1.00 0.00 O ATOM 0 H GLY A 45 5.600 -16.593 0.170 1.00 0.00 H new ATOM 0 HA2 GLY A 45 5.118 -17.766 -1.691 1.00 0.00 H new ATOM 0 HA3 GLY A 45 3.881 -18.634 -0.805 1.00 0.00 H new ATOM 687 N LYS A 46 1.957 -17.520 -1.941 1.00 0.00 N ATOM 688 CA LYS A 46 0.724 -16.875 -2.477 1.00 0.00 C ATOM 689 C LYS A 46 0.083 -15.811 -1.530 1.00 0.00 C ATOM 690 O LYS A 46 -0.363 -14.773 -2.025 1.00 0.00 O ATOM 691 CB LYS A 46 -0.321 -17.966 -2.828 1.00 0.00 C ATOM 692 CG LYS A 46 0.056 -18.891 -4.007 1.00 0.00 C ATOM 693 CD LYS A 46 -0.957 -20.026 -4.266 1.00 0.00 C ATOM 694 CE LYS A 46 -1.009 -21.168 -3.226 1.00 0.00 C ATOM 695 NZ LYS A 46 0.215 -21.993 -3.208 1.00 0.00 N ATOM 0 H LYS A 46 1.814 -18.483 -1.638 1.00 0.00 H new ATOM 0 HA LYS A 46 1.034 -16.327 -3.367 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -0.489 -18.582 -1.944 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -1.267 -17.477 -3.060 1.00 0.00 H new ATOM 0 HG2 LYS A 46 0.150 -18.289 -4.911 1.00 0.00 H new ATOM 0 HG3 LYS A 46 1.035 -19.329 -3.812 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -1.951 -19.584 -4.335 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -0.735 -20.463 -5.239 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -1.167 -20.742 -2.235 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -1.867 -21.806 -3.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 0.119 -22.741 -2.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 0.356 -22.426 -4.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 1.034 -21.395 -2.977 1.00 0.00 H new ATOM 709 N HIS A 47 0.031 -16.051 -0.201 1.00 0.00 N ATOM 710 CA HIS A 47 -0.478 -15.067 0.792 1.00 0.00 C ATOM 711 C HIS A 47 0.488 -13.859 0.939 1.00 0.00 C ATOM 712 O HIS A 47 1.707 -14.029 1.033 1.00 0.00 O ATOM 713 CB HIS A 47 -0.665 -15.739 2.181 1.00 0.00 C ATOM 714 CG HIS A 47 -1.928 -16.590 2.325 1.00 0.00 C ATOM 715 ND1 HIS A 47 -2.044 -17.914 1.943 1.00 0.00 N ATOM 716 CD2 HIS A 47 -3.130 -16.153 2.909 1.00 0.00 C ATOM 717 CE1 HIS A 47 -3.333 -18.158 2.337 1.00 0.00 C ATOM 718 NE2 HIS A 47 -4.074 -17.170 2.937 1.00 0.00 N ATOM 0 H HIS A 47 0.339 -16.929 0.217 1.00 0.00 H new ATOM 0 HA HIS A 47 -1.439 -14.707 0.426 1.00 0.00 H new ATOM 0 HB2 HIS A 47 0.203 -16.367 2.383 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -0.681 -14.961 2.945 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -3.297 -15.155 3.287 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -3.769 -19.133 2.175 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -5.029 -17.180 3.295 1.00 0.00 H new ATOM 726 N PHE A 48 -0.090 -12.649 0.966 1.00 0.00 N ATOM 727 CA PHE A 48 0.680 -11.392 1.160 1.00 0.00 C ATOM 728 C PHE A 48 0.024 -10.609 2.323 1.00 0.00 C ATOM 729 O PHE A 48 -1.069 -10.054 2.173 1.00 0.00 O ATOM 730 CB PHE A 48 0.760 -10.562 -0.154 1.00 0.00 C ATOM 731 CG PHE A 48 1.740 -11.139 -1.194 1.00 0.00 C ATOM 732 CD1 PHE A 48 3.104 -10.841 -1.102 1.00 0.00 C ATOM 733 CD2 PHE A 48 1.301 -12.024 -2.184 1.00 0.00 C ATOM 734 CE1 PHE A 48 4.010 -11.416 -1.988 1.00 0.00 C ATOM 735 CE2 PHE A 48 2.215 -12.612 -3.057 1.00 0.00 C ATOM 736 CZ PHE A 48 3.567 -12.302 -2.963 1.00 0.00 C ATOM 0 H PHE A 48 -1.094 -12.505 0.856 1.00 0.00 H new ATOM 0 HA PHE A 48 1.714 -11.617 1.420 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -0.234 -10.504 -0.598 1.00 0.00 H new ATOM 0 HB3 PHE A 48 1.060 -9.543 0.089 1.00 0.00 H new ATOM 0 HD1 PHE A 48 3.455 -10.161 -0.340 1.00 0.00 H new ATOM 0 HD2 PHE A 48 0.249 -12.253 -2.273 1.00 0.00 H new ATOM 0 HE1 PHE A 48 5.060 -11.173 -1.918 1.00 0.00 H new ATOM 0 HE2 PHE A 48 1.872 -13.309 -3.807 1.00 0.00 H new ATOM 0 HZ PHE A 48 4.273 -12.749 -3.647 1.00 0.00 H new ATOM 746 N LYS A 49 0.722 -10.562 3.475 1.00 0.00 N ATOM 747 CA LYS A 49 0.282 -9.792 4.670 1.00 0.00 C ATOM 748 C LYS A 49 0.798 -8.334 4.550 1.00 0.00 C ATOM 749 O LYS A 49 1.924 -8.010 4.942 1.00 0.00 O ATOM 750 CB LYS A 49 0.779 -10.484 5.967 1.00 0.00 C ATOM 751 CG LYS A 49 -0.034 -11.732 6.363 1.00 0.00 C ATOM 752 CD LYS A 49 0.522 -12.531 7.563 1.00 0.00 C ATOM 753 CE LYS A 49 0.494 -11.831 8.937 1.00 0.00 C ATOM 754 NZ LYS A 49 -0.873 -11.616 9.448 1.00 0.00 N ATOM 0 H LYS A 49 1.606 -11.053 3.610 1.00 0.00 H new ATOM 0 HA LYS A 49 -0.806 -9.765 4.721 1.00 0.00 H new ATOM 0 HB2 LYS A 49 1.823 -10.769 5.837 1.00 0.00 H new ATOM 0 HB3 LYS A 49 0.744 -9.766 6.786 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -1.053 -11.423 6.595 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -0.091 -12.396 5.501 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -0.042 -13.460 7.643 1.00 0.00 H new ATOM 0 HD3 LYS A 49 1.554 -12.803 7.341 1.00 0.00 H new ATOM 0 HE2 LYS A 49 1.054 -12.430 9.655 1.00 0.00 H new ATOM 0 HE3 LYS A 49 1.002 -10.870 8.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -0.827 -11.143 10.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -1.404 -11.021 8.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -1.353 -12.533 9.552 1.00 0.00 H new ATOM 768 N PHE A 50 -0.060 -7.478 3.976 1.00 0.00 N ATOM 769 CA PHE A 50 0.273 -6.062 3.671 1.00 0.00 C ATOM 770 C PHE A 50 -0.410 -5.113 4.692 1.00 0.00 C ATOM 771 O PHE A 50 -1.589 -5.288 5.016 1.00 0.00 O ATOM 772 CB PHE A 50 -0.035 -5.720 2.181 1.00 0.00 C ATOM 773 CG PHE A 50 -1.511 -5.648 1.740 1.00 0.00 C ATOM 774 CD1 PHE A 50 -2.181 -6.788 1.285 1.00 0.00 C ATOM 775 CD2 PHE A 50 -2.204 -4.435 1.825 1.00 0.00 C ATOM 776 CE1 PHE A 50 -3.531 -6.720 0.950 1.00 0.00 C ATOM 777 CE2 PHE A 50 -3.549 -4.365 1.474 1.00 0.00 C ATOM 778 CZ PHE A 50 -4.210 -5.507 1.031 1.00 0.00 C ATOM 0 H PHE A 50 -1.008 -7.740 3.706 1.00 0.00 H new ATOM 0 HA PHE A 50 1.346 -5.910 3.786 1.00 0.00 H new ATOM 0 HB2 PHE A 50 0.426 -4.758 1.958 1.00 0.00 H new ATOM 0 HB3 PHE A 50 0.462 -6.464 1.559 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -1.650 -7.724 1.193 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -1.692 -3.547 2.165 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -4.052 -7.609 0.627 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -4.079 -3.427 1.545 1.00 0.00 H new ATOM 0 HZ PHE A 50 -5.251 -5.452 0.750 1.00 0.00 H new ATOM 788 N THR A 51 0.340 -4.107 5.175 1.00 0.00 N ATOM 789 CA THR A 51 -0.156 -3.146 6.201 1.00 0.00 C ATOM 790 C THR A 51 0.179 -1.715 5.701 1.00 0.00 C ATOM 791 O THR A 51 1.322 -1.260 5.811 1.00 0.00 O ATOM 792 CB THR A 51 0.428 -3.497 7.605 1.00 0.00 C ATOM 793 OG1 THR A 51 0.023 -4.811 7.980 1.00 0.00 O ATOM 794 CG2 THR A 51 -0.014 -2.549 8.732 1.00 0.00 C ATOM 0 H THR A 51 1.299 -3.930 4.875 1.00 0.00 H new ATOM 0 HA THR A 51 -1.237 -3.207 6.331 1.00 0.00 H new ATOM 0 HB THR A 51 1.509 -3.405 7.495 1.00 0.00 H new ATOM 0 HG1 THR A 51 0.393 -5.028 8.861 1.00 0.00 H new ATOM 0 HG21 THR A 51 0.438 -2.866 9.672 1.00 0.00 H new ATOM 0 HG22 THR A 51 0.306 -1.533 8.500 1.00 0.00 H new ATOM 0 HG23 THR A 51 -1.100 -2.575 8.824 1.00 0.00 H new ATOM 802 N ILE A 52 -0.836 -1.005 5.173 1.00 0.00 N ATOM 803 CA ILE A 52 -0.665 0.374 4.628 1.00 0.00 C ATOM 804 C ILE A 52 -1.043 1.369 5.763 1.00 0.00 C ATOM 805 O ILE A 52 -2.222 1.582 6.058 1.00 0.00 O ATOM 806 CB ILE A 52 -1.488 0.643 3.318 1.00 0.00 C ATOM 807 CG1 ILE A 52 -1.477 -0.481 2.238 1.00 0.00 C ATOM 808 CG2 ILE A 52 -1.131 2.005 2.671 1.00 0.00 C ATOM 809 CD1 ILE A 52 -0.111 -0.860 1.640 1.00 0.00 C ATOM 0 H ILE A 52 -1.791 -1.357 5.108 1.00 0.00 H new ATOM 0 HA ILE A 52 0.373 0.507 4.322 1.00 0.00 H new ATOM 0 HB ILE A 52 -2.513 0.661 3.690 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -1.915 -1.377 2.677 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -2.131 -0.173 1.422 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -1.726 2.146 1.768 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -1.344 2.809 3.375 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -0.072 2.019 2.414 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -0.244 -1.652 0.903 1.00 0.00 H new ATOM 0 HD12 ILE A 52 0.330 0.013 1.159 1.00 0.00 H new ATOM 0 HD13 ILE A 52 0.549 -1.210 2.434 1.00 0.00 H new ATOM 821 N THR A 53 -0.017 1.989 6.360 1.00 0.00 N ATOM 822 CA THR A 53 -0.186 3.060 7.378 1.00 0.00 C ATOM 823 C THR A 53 0.145 4.425 6.716 1.00 0.00 C ATOM 824 O THR A 53 1.314 4.774 6.528 1.00 0.00 O ATOM 825 CB THR A 53 0.572 2.749 8.703 1.00 0.00 C ATOM 826 OG1 THR A 53 0.297 3.775 9.652 1.00 0.00 O ATOM 827 CG2 THR A 53 2.098 2.559 8.642 1.00 0.00 C ATOM 0 H THR A 53 0.958 1.770 6.158 1.00 0.00 H new ATOM 0 HA THR A 53 -1.223 3.112 7.710 1.00 0.00 H new ATOM 0 HB THR A 53 0.187 1.767 8.979 1.00 0.00 H new ATOM 0 HG1 THR A 53 0.771 3.583 10.488 1.00 0.00 H new ATOM 0 HG21 THR A 53 2.479 2.349 9.642 1.00 0.00 H new ATOM 0 HG22 THR A 53 2.335 1.725 7.981 1.00 0.00 H new ATOM 0 HG23 THR A 53 2.563 3.468 8.260 1.00 0.00 H new ATOM 835 N ALA A 54 -0.912 5.186 6.371 1.00 0.00 N ATOM 836 CA ALA A 54 -0.777 6.568 5.844 1.00 0.00 C ATOM 837 C ALA A 54 -1.200 7.570 6.949 1.00 0.00 C ATOM 838 O ALA A 54 -2.367 7.972 7.039 1.00 0.00 O ATOM 839 CB ALA A 54 -1.603 6.698 4.549 1.00 0.00 C ATOM 0 H ALA A 54 -1.878 4.868 6.447 1.00 0.00 H new ATOM 0 HA ALA A 54 0.256 6.798 5.583 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -1.508 7.711 4.157 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -1.235 5.987 3.810 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -2.651 6.489 4.763 1.00 0.00 H new ATOM 845 N GLY A 55 -0.235 7.934 7.816 1.00 0.00 N ATOM 846 CA GLY A 55 -0.488 8.818 8.974 1.00 0.00 C ATOM 847 C GLY A 55 -1.110 8.073 10.171 1.00 0.00 C ATOM 848 O GLY A 55 -0.427 7.294 10.843 1.00 0.00 O ATOM 0 H GLY A 55 0.735 7.627 7.736 1.00 0.00 H new ATOM 0 HA2 GLY A 55 0.450 9.278 9.286 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -1.153 9.626 8.670 1.00 0.00 H new ATOM 852 N SER A 56 -2.405 8.326 10.413 1.00 0.00 N ATOM 853 CA SER A 56 -3.167 7.695 11.527 1.00 0.00 C ATOM 854 C SER A 56 -3.822 6.330 11.163 1.00 0.00 C ATOM 855 O SER A 56 -3.696 5.387 11.951 1.00 0.00 O ATOM 856 CB SER A 56 -4.217 8.684 12.083 1.00 0.00 C ATOM 857 OG SER A 56 -3.602 9.857 12.607 1.00 0.00 O ATOM 0 H SER A 56 -2.961 8.970 9.850 1.00 0.00 H new ATOM 0 HA SER A 56 -2.435 7.463 12.301 1.00 0.00 H new ATOM 0 HB2 SER A 56 -4.914 8.960 11.292 1.00 0.00 H new ATOM 0 HB3 SER A 56 -4.799 8.197 12.865 1.00 0.00 H new ATOM 0 HG SER A 56 -4.292 10.463 12.949 1.00 0.00 H new ATOM 863 N LYS A 57 -4.530 6.217 10.015 1.00 0.00 N ATOM 864 CA LYS A 57 -5.296 4.992 9.646 1.00 0.00 C ATOM 865 C LYS A 57 -4.356 3.847 9.172 1.00 0.00 C ATOM 866 O LYS A 57 -3.452 4.064 8.359 1.00 0.00 O ATOM 867 CB LYS A 57 -6.348 5.299 8.547 1.00 0.00 C ATOM 868 CG LYS A 57 -7.504 6.227 8.991 1.00 0.00 C ATOM 869 CD LYS A 57 -8.653 6.360 7.974 1.00 0.00 C ATOM 870 CE LYS A 57 -8.295 7.126 6.683 1.00 0.00 C ATOM 871 NZ LYS A 57 -9.482 7.336 5.835 1.00 0.00 N ATOM 0 H LYS A 57 -4.590 6.962 9.321 1.00 0.00 H new ATOM 0 HA LYS A 57 -5.813 4.659 10.546 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -5.841 5.756 7.697 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -6.772 4.358 8.197 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -7.911 5.853 9.931 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -7.098 7.219 9.191 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -8.996 5.361 7.703 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -9.490 6.864 8.458 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -7.855 8.089 6.940 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -7.541 6.570 6.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -9.217 7.897 5.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -9.857 6.416 5.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -10.210 7.844 6.377 1.00 0.00 H new ATOM 885 N VAL A 58 -4.606 2.636 9.702 1.00 0.00 N ATOM 886 CA VAL A 58 -3.764 1.433 9.443 1.00 0.00 C ATOM 887 C VAL A 58 -4.700 0.404 8.735 1.00 0.00 C ATOM 888 O VAL A 58 -5.605 -0.163 9.358 1.00 0.00 O ATOM 889 CB VAL A 58 -3.114 0.886 10.764 1.00 0.00 C ATOM 890 CG1 VAL A 58 -2.237 -0.364 10.519 1.00 0.00 C ATOM 891 CG2 VAL A 58 -2.240 1.921 11.516 1.00 0.00 C ATOM 0 H VAL A 58 -5.395 2.454 10.323 1.00 0.00 H new ATOM 0 HA VAL A 58 -2.910 1.661 8.805 1.00 0.00 H new ATOM 0 HB VAL A 58 -3.976 0.636 11.382 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -1.812 -0.701 11.464 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -2.848 -1.159 10.092 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -1.432 -0.114 9.828 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -1.829 1.464 12.416 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -1.425 2.247 10.870 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -2.851 2.781 11.792 1.00 0.00 H new ATOM 901 N ILE A 59 -4.459 0.179 7.430 1.00 0.00 N ATOM 902 CA ILE A 59 -5.317 -0.677 6.563 1.00 0.00 C ATOM 903 C ILE A 59 -4.535 -2.012 6.374 1.00 0.00 C ATOM 904 O ILE A 59 -3.662 -2.102 5.505 1.00 0.00 O ATOM 905 CB ILE A 59 -5.679 0.037 5.203 1.00 0.00 C ATOM 906 CG1 ILE A 59 -6.416 1.410 5.323 1.00 0.00 C ATOM 907 CG2 ILE A 59 -6.550 -0.885 4.310 1.00 0.00 C ATOM 908 CD1 ILE A 59 -5.528 2.644 5.559 1.00 0.00 C ATOM 0 H ILE A 59 -3.663 0.584 6.937 1.00 0.00 H new ATOM 0 HA ILE A 59 -6.286 -0.872 7.022 1.00 0.00 H new ATOM 0 HB ILE A 59 -4.703 0.241 4.762 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -6.989 1.571 4.410 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -7.132 1.343 6.142 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -6.787 -0.371 3.378 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -6.002 -1.801 4.090 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -7.474 -1.131 4.833 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -6.153 3.535 5.625 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -4.973 2.521 6.489 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -4.828 2.752 4.731 1.00 0.00 H new ATOM 920 N GLN A 60 -4.868 -3.038 7.182 1.00 0.00 N ATOM 921 CA GLN A 60 -4.179 -4.354 7.152 1.00 0.00 C ATOM 922 C GLN A 60 -5.147 -5.465 6.659 1.00 0.00 C ATOM 923 O GLN A 60 -6.213 -5.695 7.243 1.00 0.00 O ATOM 924 CB GLN A 60 -3.474 -4.671 8.497 1.00 0.00 C ATOM 925 CG GLN A 60 -4.296 -5.062 9.746 1.00 0.00 C ATOM 926 CD GLN A 60 -5.230 -3.976 10.311 1.00 0.00 C ATOM 927 OE1 GLN A 60 -6.405 -3.898 9.954 1.00 0.00 O ATOM 928 NE2 GLN A 60 -4.738 -3.122 11.195 1.00 0.00 N ATOM 0 H GLN A 60 -5.617 -2.984 7.872 1.00 0.00 H new ATOM 0 HA GLN A 60 -3.370 -4.311 6.423 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -2.772 -5.483 8.308 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -2.883 -3.795 8.764 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -4.897 -5.937 9.500 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -3.603 -5.361 10.532 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -3.763 -3.194 11.485 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -5.334 -2.392 11.586 1.00 0.00 H new ATOM 937 N ASN A 61 -4.758 -6.121 5.556 1.00 0.00 N ATOM 938 CA ASN A 61 -5.581 -7.155 4.861 1.00 0.00 C ATOM 939 C ASN A 61 -4.650 -8.206 4.176 1.00 0.00 C ATOM 940 O ASN A 61 -3.460 -7.966 3.932 1.00 0.00 O ATOM 941 CB ASN A 61 -6.551 -6.506 3.823 1.00 0.00 C ATOM 942 CG ASN A 61 -7.783 -5.782 4.398 1.00 0.00 C ATOM 943 OD1 ASN A 61 -8.790 -6.404 4.736 1.00 0.00 O ATOM 944 ND2 ASN A 61 -7.733 -4.463 4.515 1.00 0.00 N ATOM 0 H ASN A 61 -3.857 -5.956 5.107 1.00 0.00 H new ATOM 0 HA ASN A 61 -6.195 -7.663 5.605 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -5.984 -5.793 3.225 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -6.898 -7.286 3.145 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -8.534 -3.953 4.888 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -6.894 -3.957 4.232 1.00 0.00 H new ATOM 951 N GLU A 62 -5.223 -9.384 3.854 1.00 0.00 N ATOM 952 CA GLU A 62 -4.518 -10.468 3.115 1.00 0.00 C ATOM 953 C GLU A 62 -5.226 -10.729 1.760 1.00 0.00 C ATOM 954 O GLU A 62 -6.431 -11.004 1.724 1.00 0.00 O ATOM 955 CB GLU A 62 -4.486 -11.793 3.925 1.00 0.00 C ATOM 956 CG GLU A 62 -3.550 -11.773 5.148 1.00 0.00 C ATOM 957 CD GLU A 62 -3.491 -13.121 5.872 1.00 0.00 C ATOM 958 OE1 GLU A 62 -4.373 -13.392 6.717 1.00 0.00 O ATOM 959 OE2 GLU A 62 -2.562 -13.914 5.601 1.00 0.00 O ATOM 0 H GLU A 62 -6.186 -9.617 4.096 1.00 0.00 H new ATOM 0 HA GLU A 62 -3.492 -10.137 2.953 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -5.497 -12.023 4.261 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -4.179 -12.602 3.262 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -2.546 -11.494 4.827 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -3.887 -11.006 5.845 1.00 0.00 H new ATOM 966 N PHE A 63 -4.441 -10.724 0.665 1.00 0.00 N ATOM 967 CA PHE A 63 -4.838 -11.385 -0.609 1.00 0.00 C ATOM 968 C PHE A 63 -4.000 -12.670 -0.835 1.00 0.00 C ATOM 969 O PHE A 63 -2.800 -12.717 -0.544 1.00 0.00 O ATOM 970 CB PHE A 63 -4.807 -10.448 -1.848 1.00 0.00 C ATOM 971 CG PHE A 63 -3.494 -9.749 -2.253 1.00 0.00 C ATOM 972 CD1 PHE A 63 -2.457 -10.460 -2.870 1.00 0.00 C ATOM 973 CD2 PHE A 63 -3.379 -8.363 -2.112 1.00 0.00 C ATOM 974 CE1 PHE A 63 -1.324 -9.794 -3.325 1.00 0.00 C ATOM 975 CE2 PHE A 63 -2.248 -7.697 -2.572 1.00 0.00 C ATOM 976 CZ PHE A 63 -1.227 -8.412 -3.189 1.00 0.00 C ATOM 0 H PHE A 63 -3.527 -10.272 0.630 1.00 0.00 H new ATOM 0 HA PHE A 63 -5.886 -11.662 -0.498 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -5.141 -11.033 -2.705 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -5.552 -9.669 -1.684 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -2.538 -11.530 -2.993 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -4.175 -7.805 -1.642 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -0.519 -10.349 -3.784 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -2.163 -6.627 -2.450 1.00 0.00 H new ATOM 0 HZ PHE A 63 -0.357 -7.894 -3.564 1.00 0.00 H new ATOM 986 N THR A 64 -4.652 -13.680 -1.431 1.00 0.00 N ATOM 987 CA THR A 64 -3.983 -14.921 -1.899 1.00 0.00 C ATOM 988 C THR A 64 -3.976 -14.888 -3.458 1.00 0.00 C ATOM 989 O THR A 64 -5.005 -14.649 -4.103 1.00 0.00 O ATOM 990 CB THR A 64 -4.722 -16.166 -1.324 1.00 0.00 C ATOM 991 OG1 THR A 64 -4.843 -16.061 0.091 1.00 0.00 O ATOM 992 CG2 THR A 64 -4.013 -17.499 -1.610 1.00 0.00 C ATOM 0 H THR A 64 -5.657 -13.667 -1.606 1.00 0.00 H new ATOM 0 HA THR A 64 -2.954 -14.985 -1.546 1.00 0.00 H new ATOM 0 HB THR A 64 -5.691 -16.172 -1.823 1.00 0.00 H new ATOM 0 HG1 THR A 64 -5.310 -16.849 0.439 1.00 0.00 H new ATOM 0 HG21 THR A 64 -4.589 -18.317 -1.178 1.00 0.00 H new ATOM 0 HG22 THR A 64 -3.930 -17.643 -2.687 1.00 0.00 H new ATOM 0 HG23 THR A 64 -3.017 -17.483 -1.168 1.00 0.00 H new ATOM 1000 N VAL A 65 -2.800 -15.164 -4.053 1.00 0.00 N ATOM 1001 CA VAL A 65 -2.594 -15.150 -5.531 1.00 0.00 C ATOM 1002 C VAL A 65 -3.273 -16.406 -6.170 1.00 0.00 C ATOM 1003 O VAL A 65 -3.088 -17.542 -5.718 1.00 0.00 O ATOM 1004 CB VAL A 65 -1.063 -15.019 -5.849 1.00 0.00 C ATOM 1005 CG1 VAL A 65 -0.676 -15.223 -7.331 1.00 0.00 C ATOM 1006 CG2 VAL A 65 -0.492 -13.645 -5.419 1.00 0.00 C ATOM 0 H VAL A 65 -1.958 -15.405 -3.529 1.00 0.00 H new ATOM 0 HA VAL A 65 -3.075 -14.282 -5.983 1.00 0.00 H new ATOM 0 HB VAL A 65 -0.630 -15.834 -5.268 1.00 0.00 H new ATOM 0 HG11 VAL A 65 0.402 -15.112 -7.444 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -0.973 -16.222 -7.651 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -1.184 -14.479 -7.945 1.00 0.00 H new ATOM 0 HG21 VAL A 65 0.570 -13.601 -5.659 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -1.017 -12.851 -5.950 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -0.627 -13.515 -4.345 1.00 0.00 H new ATOM 1016 N GLY A 66 -4.074 -16.153 -7.218 1.00 0.00 N ATOM 1017 CA GLY A 66 -4.960 -17.175 -7.831 1.00 0.00 C ATOM 1018 C GLY A 66 -6.318 -17.492 -7.147 1.00 0.00 C ATOM 1019 O GLY A 66 -6.981 -18.440 -7.576 1.00 0.00 O ATOM 0 H GLY A 66 -4.131 -15.239 -7.668 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -5.170 -16.860 -8.853 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -4.396 -18.106 -7.894 1.00 0.00 H new ATOM 1023 N GLU A 67 -6.737 -16.720 -6.124 1.00 0.00 N ATOM 1024 CA GLU A 67 -8.010 -16.929 -5.382 1.00 0.00 C ATOM 1025 C GLU A 67 -8.646 -15.537 -5.104 1.00 0.00 C ATOM 1026 O GLU A 67 -7.967 -14.600 -4.664 1.00 0.00 O ATOM 1027 CB GLU A 67 -7.760 -17.684 -4.046 1.00 0.00 C ATOM 1028 CG GLU A 67 -7.416 -19.183 -4.201 1.00 0.00 C ATOM 1029 CD GLU A 67 -7.187 -19.883 -2.861 1.00 0.00 C ATOM 1030 OE1 GLU A 67 -8.180 -20.225 -2.179 1.00 0.00 O ATOM 1031 OE2 GLU A 67 -6.015 -20.099 -2.483 1.00 0.00 O ATOM 0 H GLU A 67 -6.200 -15.924 -5.781 1.00 0.00 H new ATOM 0 HA GLU A 67 -8.685 -17.540 -5.981 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -6.945 -17.192 -3.514 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -8.649 -17.593 -3.422 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -8.225 -19.683 -4.733 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -6.521 -19.284 -4.815 1.00 0.00 H new ATOM 1038 N GLU A 68 -9.972 -15.425 -5.324 1.00 0.00 N ATOM 1039 CA GLU A 68 -10.734 -14.162 -5.103 1.00 0.00 C ATOM 1040 C GLU A 68 -10.863 -13.799 -3.590 1.00 0.00 C ATOM 1041 O GLU A 68 -11.340 -14.603 -2.782 1.00 0.00 O ATOM 1042 CB GLU A 68 -12.068 -14.163 -5.893 1.00 0.00 C ATOM 1043 CG GLU A 68 -13.136 -15.176 -5.442 1.00 0.00 C ATOM 1044 CD GLU A 68 -14.380 -15.178 -6.334 1.00 0.00 C ATOM 1045 OE1 GLU A 68 -14.342 -15.803 -7.418 1.00 0.00 O ATOM 1046 OE2 GLU A 68 -15.400 -14.561 -5.959 1.00 0.00 O ATOM 0 H GLU A 68 -10.549 -16.197 -5.658 1.00 0.00 H new ATOM 0 HA GLU A 68 -10.155 -13.338 -5.520 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -12.500 -13.164 -5.834 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -11.842 -14.351 -6.943 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -12.700 -16.175 -5.435 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -13.432 -14.950 -4.417 1.00 0.00 H new ATOM 1053 N CYS A 69 -10.369 -12.601 -3.233 1.00 0.00 N ATOM 1054 CA CYS A 69 -10.112 -12.201 -1.823 1.00 0.00 C ATOM 1055 C CYS A 69 -10.594 -10.752 -1.575 1.00 0.00 C ATOM 1056 O CYS A 69 -10.206 -9.811 -2.276 1.00 0.00 O ATOM 1057 CB CYS A 69 -8.615 -12.362 -1.470 1.00 0.00 C ATOM 1058 SG CYS A 69 -7.510 -12.004 -2.875 1.00 0.00 S ATOM 0 H CYS A 69 -10.133 -11.875 -3.910 1.00 0.00 H new ATOM 0 HA CYS A 69 -10.679 -12.862 -1.168 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -8.369 -11.697 -0.642 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -8.436 -13.380 -1.124 1.00 0.00 H new ATOM 0 HG CYS A 69 -8.210 -11.551 -3.873 1.00 0.00 H new ATOM 1064 N GLU A 70 -11.431 -10.601 -0.532 1.00 0.00 N ATOM 1065 CA GLU A 70 -12.035 -9.296 -0.145 1.00 0.00 C ATOM 1066 C GLU A 70 -11.019 -8.394 0.607 1.00 0.00 C ATOM 1067 O GLU A 70 -10.389 -8.838 1.573 1.00 0.00 O ATOM 1068 CB GLU A 70 -13.375 -9.492 0.619 1.00 0.00 C ATOM 1069 CG GLU A 70 -13.319 -10.096 2.036 1.00 0.00 C ATOM 1070 CD GLU A 70 -13.448 -9.082 3.182 1.00 0.00 C ATOM 1071 OE1 GLU A 70 -12.422 -8.516 3.618 1.00 0.00 O ATOM 1072 OE2 GLU A 70 -14.583 -8.849 3.653 1.00 0.00 O ATOM 0 H GLU A 70 -11.712 -11.374 0.071 1.00 0.00 H new ATOM 0 HA GLU A 70 -12.288 -8.758 -1.059 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -13.864 -8.521 0.689 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -14.017 -10.129 0.010 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -14.117 -10.833 2.132 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -12.376 -10.631 2.149 1.00 0.00 H new ATOM 1079 N LEU A 71 -10.864 -7.141 0.145 1.00 0.00 N ATOM 1080 CA LEU A 71 -9.857 -6.198 0.701 1.00 0.00 C ATOM 1081 C LEU A 71 -10.588 -4.875 1.024 1.00 0.00 C ATOM 1082 O LEU A 71 -11.025 -4.160 0.115 1.00 0.00 O ATOM 1083 CB LEU A 71 -8.657 -5.952 -0.263 1.00 0.00 C ATOM 1084 CG LEU A 71 -7.910 -7.194 -0.824 1.00 0.00 C ATOM 1085 CD1 LEU A 71 -6.893 -6.771 -1.899 1.00 0.00 C ATOM 1086 CD2 LEU A 71 -7.239 -8.039 0.276 1.00 0.00 C ATOM 0 H LEU A 71 -11.421 -6.750 -0.614 1.00 0.00 H new ATOM 0 HA LEU A 71 -9.421 -6.634 1.600 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -9.022 -5.370 -1.110 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -7.929 -5.332 0.260 1.00 0.00 H new ATOM 0 HG LEU A 71 -8.662 -7.836 -1.284 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -6.379 -7.653 -2.281 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -7.414 -6.272 -2.716 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -6.165 -6.088 -1.462 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -6.734 -8.892 -0.178 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -6.511 -7.428 0.811 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -7.997 -8.395 0.974 1.00 0.00 H new ATOM 1098 N GLU A 72 -10.690 -4.550 2.326 1.00 0.00 N ATOM 1099 CA GLU A 72 -11.296 -3.282 2.810 1.00 0.00 C ATOM 1100 C GLU A 72 -10.354 -2.083 2.498 1.00 0.00 C ATOM 1101 O GLU A 72 -9.203 -2.055 2.946 1.00 0.00 O ATOM 1102 CB GLU A 72 -11.566 -3.436 4.332 1.00 0.00 C ATOM 1103 CG GLU A 72 -12.334 -2.267 4.991 1.00 0.00 C ATOM 1104 CD GLU A 72 -12.432 -2.418 6.512 1.00 0.00 C ATOM 1105 OE1 GLU A 72 -13.391 -3.054 7.000 1.00 0.00 O ATOM 1106 OE2 GLU A 72 -11.543 -1.903 7.225 1.00 0.00 O ATOM 0 H GLU A 72 -10.357 -5.154 3.077 1.00 0.00 H new ATOM 0 HA GLU A 72 -12.238 -3.078 2.301 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -12.130 -4.355 4.493 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -10.611 -3.555 4.843 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -11.835 -1.328 4.753 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -13.337 -2.211 4.569 1.00 0.00 H new ATOM 1113 N THR A 73 -10.861 -1.103 1.731 1.00 0.00 N ATOM 1114 CA THR A 73 -10.080 0.109 1.341 1.00 0.00 C ATOM 1115 C THR A 73 -10.109 1.203 2.463 1.00 0.00 C ATOM 1116 O THR A 73 -10.851 1.107 3.449 1.00 0.00 O ATOM 1117 CB THR A 73 -10.543 0.644 -0.054 1.00 0.00 C ATOM 1118 OG1 THR A 73 -11.888 1.111 0.001 1.00 0.00 O ATOM 1119 CG2 THR A 73 -10.399 -0.347 -1.227 1.00 0.00 C ATOM 0 H THR A 73 -11.812 -1.116 1.362 1.00 0.00 H new ATOM 0 HA THR A 73 -9.033 -0.177 1.235 1.00 0.00 H new ATOM 0 HB THR A 73 -9.853 1.461 -0.265 1.00 0.00 H new ATOM 0 HG1 THR A 73 -12.104 1.585 -0.829 1.00 0.00 H new ATOM 0 HG21 THR A 73 -10.748 0.124 -2.146 1.00 0.00 H new ATOM 0 HG22 THR A 73 -9.352 -0.629 -1.339 1.00 0.00 H new ATOM 0 HG23 THR A 73 -10.995 -1.237 -1.027 1.00 0.00 H new ATOM 1127 N MET A 74 -9.285 2.255 2.290 1.00 0.00 N ATOM 1128 CA MET A 74 -9.217 3.425 3.219 1.00 0.00 C ATOM 1129 C MET A 74 -10.553 4.184 3.509 1.00 0.00 C ATOM 1130 O MET A 74 -10.840 4.465 4.676 1.00 0.00 O ATOM 1131 CB MET A 74 -8.040 4.358 2.831 1.00 0.00 C ATOM 1132 CG MET A 74 -8.148 5.056 1.467 1.00 0.00 C ATOM 1133 SD MET A 74 -6.563 5.806 1.041 1.00 0.00 S ATOM 1134 CE MET A 74 -6.835 6.183 -0.702 1.00 0.00 C ATOM 0 H MET A 74 -8.641 2.328 1.502 1.00 0.00 H new ATOM 0 HA MET A 74 -9.016 2.990 4.198 1.00 0.00 H new ATOM 0 HB2 MET A 74 -7.942 5.124 3.601 1.00 0.00 H new ATOM 0 HB3 MET A 74 -7.120 3.773 2.844 1.00 0.00 H new ATOM 0 HG2 MET A 74 -8.438 4.337 0.701 1.00 0.00 H new ATOM 0 HG3 MET A 74 -8.926 5.819 1.499 1.00 0.00 H new ATOM 0 HE1 MET A 74 -5.887 6.453 -1.168 1.00 0.00 H new ATOM 0 HE2 MET A 74 -7.250 5.308 -1.203 1.00 0.00 H new ATOM 0 HE3 MET A 74 -7.532 7.016 -0.790 1.00 0.00 H new ATOM 1144 N THR A 75 -11.376 4.460 2.476 1.00 0.00 N ATOM 1145 CA THR A 75 -12.777 4.943 2.653 1.00 0.00 C ATOM 1146 C THR A 75 -13.724 3.797 3.136 1.00 0.00 C ATOM 1147 O THR A 75 -14.251 3.890 4.248 1.00 0.00 O ATOM 1148 CB THR A 75 -13.313 5.692 1.393 1.00 0.00 C ATOM 1149 OG1 THR A 75 -13.214 4.882 0.223 1.00 0.00 O ATOM 1150 CG2 THR A 75 -12.616 7.034 1.108 1.00 0.00 C ATOM 0 H THR A 75 -11.099 4.358 1.500 1.00 0.00 H new ATOM 0 HA THR A 75 -12.763 5.687 3.449 1.00 0.00 H new ATOM 0 HB THR A 75 -14.355 5.903 1.632 1.00 0.00 H new ATOM 0 HG1 THR A 75 -13.559 5.378 -0.549 1.00 0.00 H new ATOM 0 HG21 THR A 75 -13.049 7.487 0.216 1.00 0.00 H new ATOM 0 HG22 THR A 75 -12.753 7.703 1.958 1.00 0.00 H new ATOM 0 HG23 THR A 75 -11.551 6.864 0.948 1.00 0.00 H new ATOM 1158 N GLY A 76 -13.922 2.737 2.328 1.00 0.00 N ATOM 1159 CA GLY A 76 -14.754 1.578 2.714 1.00 0.00 C ATOM 1160 C GLY A 76 -15.341 0.898 1.468 1.00 0.00 C ATOM 1161 O GLY A 76 -16.408 1.298 0.991 1.00 0.00 O ATOM 0 H GLY A 76 -13.514 2.659 1.397 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -14.154 0.863 3.277 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -15.560 1.904 3.371 1.00 0.00 H new ATOM 1165 N GLU A 77 -14.633 -0.121 0.955 1.00 0.00 N ATOM 1166 CA GLU A 77 -15.063 -0.893 -0.239 1.00 0.00 C ATOM 1167 C GLU A 77 -14.385 -2.281 -0.144 1.00 0.00 C ATOM 1168 O GLU A 77 -13.155 -2.383 -0.188 1.00 0.00 O ATOM 1169 CB GLU A 77 -14.701 -0.159 -1.567 1.00 0.00 C ATOM 1170 CG GLU A 77 -15.062 -0.879 -2.890 1.00 0.00 C ATOM 1171 CD GLU A 77 -16.562 -1.034 -3.152 1.00 0.00 C ATOM 1172 OE1 GLU A 77 -17.153 -2.039 -2.697 1.00 0.00 O ATOM 1173 OE2 GLU A 77 -17.156 -0.155 -3.817 1.00 0.00 O ATOM 0 H GLU A 77 -13.748 -0.438 1.350 1.00 0.00 H new ATOM 0 HA GLU A 77 -16.148 -0.999 -0.255 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -15.197 0.812 -1.563 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -13.628 0.031 -1.567 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -14.618 -0.328 -3.719 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -14.605 -1.869 -2.884 1.00 0.00 H new ATOM 1180 N LYS A 78 -15.203 -3.346 -0.086 1.00 0.00 N ATOM 1181 CA LYS A 78 -14.714 -4.746 -0.198 1.00 0.00 C ATOM 1182 C LYS A 78 -14.709 -5.121 -1.707 1.00 0.00 C ATOM 1183 O LYS A 78 -15.764 -5.246 -2.339 1.00 0.00 O ATOM 1184 CB LYS A 78 -15.583 -5.720 0.642 1.00 0.00 C ATOM 1185 CG LYS A 78 -15.300 -5.767 2.162 1.00 0.00 C ATOM 1186 CD LYS A 78 -15.756 -4.538 2.976 1.00 0.00 C ATOM 1187 CE LYS A 78 -15.617 -4.753 4.494 1.00 0.00 C ATOM 1188 NZ LYS A 78 -16.121 -3.596 5.254 1.00 0.00 N ATOM 0 H LYS A 78 -16.213 -3.271 0.038 1.00 0.00 H new ATOM 0 HA LYS A 78 -13.705 -4.829 0.205 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -16.630 -5.452 0.499 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -15.453 -6.725 0.240 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -15.786 -6.651 2.574 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -14.227 -5.896 2.307 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -15.166 -3.670 2.679 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -16.796 -4.313 2.738 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -16.165 -5.648 4.787 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -14.570 -4.925 4.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -15.372 -3.241 5.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -16.405 -2.844 4.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -16.942 -3.885 5.823 1.00 0.00 H new ATOM 1202 N VAL A 79 -13.498 -5.248 -2.272 1.00 0.00 N ATOM 1203 CA VAL A 79 -13.288 -5.357 -3.749 1.00 0.00 C ATOM 1204 C VAL A 79 -13.532 -6.783 -4.338 1.00 0.00 C ATOM 1205 O VAL A 79 -14.195 -6.890 -5.373 1.00 0.00 O ATOM 1206 CB VAL A 79 -11.922 -4.726 -4.201 1.00 0.00 C ATOM 1207 CG1 VAL A 79 -11.845 -3.205 -3.927 1.00 0.00 C ATOM 1208 CG2 VAL A 79 -10.660 -5.416 -3.631 1.00 0.00 C ATOM 0 H VAL A 79 -12.633 -5.279 -1.733 1.00 0.00 H new ATOM 0 HA VAL A 79 -14.078 -4.752 -4.194 1.00 0.00 H new ATOM 0 HB VAL A 79 -11.917 -4.901 -5.277 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -10.879 -2.824 -4.260 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -12.642 -2.697 -4.470 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -11.959 -3.022 -2.859 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -9.769 -4.908 -4.001 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -10.680 -5.368 -2.542 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -10.641 -6.459 -3.948 1.00 0.00 H new ATOM 1218 N LYS A 80 -12.977 -7.853 -3.720 1.00 0.00 N ATOM 1219 CA LYS A 80 -12.984 -9.246 -4.257 1.00 0.00 C ATOM 1220 C LYS A 80 -12.173 -9.355 -5.582 1.00 0.00 C ATOM 1221 O LYS A 80 -12.727 -9.203 -6.675 1.00 0.00 O ATOM 1222 CB LYS A 80 -14.382 -9.918 -4.307 1.00 0.00 C ATOM 1223 CG LYS A 80 -15.013 -10.186 -2.918 1.00 0.00 C ATOM 1224 CD LYS A 80 -16.344 -10.963 -2.948 1.00 0.00 C ATOM 1225 CE LYS A 80 -16.184 -12.458 -3.292 1.00 0.00 C ATOM 1226 NZ LYS A 80 -17.479 -13.159 -3.305 1.00 0.00 N ATOM 0 H LYS A 80 -12.503 -7.777 -2.820 1.00 0.00 H new ATOM 0 HA LYS A 80 -12.456 -9.851 -3.520 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -15.056 -9.284 -4.883 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -14.298 -10.863 -4.843 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -14.298 -10.742 -2.312 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -15.178 -9.231 -2.420 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -16.828 -10.873 -1.976 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -17.008 -10.501 -3.679 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -15.707 -12.557 -4.267 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -15.523 -12.929 -2.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -17.329 -14.161 -3.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -17.923 -13.086 -2.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -18.101 -12.726 -4.017 1.00 0.00 H new ATOM 1240 N THR A 81 -10.851 -9.569 -5.447 1.00 0.00 N ATOM 1241 CA THR A 81 -9.888 -9.527 -6.580 1.00 0.00 C ATOM 1242 C THR A 81 -8.920 -10.745 -6.503 1.00 0.00 C ATOM 1243 O THR A 81 -8.562 -11.218 -5.419 1.00 0.00 O ATOM 1244 CB THR A 81 -9.183 -8.137 -6.639 1.00 0.00 C ATOM 1245 OG1 THR A 81 -8.543 -8.013 -7.901 1.00 0.00 O ATOM 1246 CG2 THR A 81 -8.157 -7.830 -5.528 1.00 0.00 C ATOM 0 H THR A 81 -10.413 -9.777 -4.550 1.00 0.00 H new ATOM 0 HA THR A 81 -10.412 -9.627 -7.531 1.00 0.00 H new ATOM 0 HB THR A 81 -9.980 -7.410 -6.482 1.00 0.00 H new ATOM 0 HG1 THR A 81 -7.606 -7.760 -7.769 1.00 0.00 H new ATOM 0 HG21 THR A 81 -7.740 -6.835 -5.683 1.00 0.00 H new ATOM 0 HG22 THR A 81 -8.650 -7.869 -4.557 1.00 0.00 H new ATOM 0 HG23 THR A 81 -7.356 -8.568 -5.559 1.00 0.00 H new ATOM 1254 N VAL A 82 -8.490 -11.249 -7.671 1.00 0.00 N ATOM 1255 CA VAL A 82 -7.750 -12.546 -7.777 1.00 0.00 C ATOM 1256 C VAL A 82 -6.215 -12.349 -7.545 1.00 0.00 C ATOM 1257 O VAL A 82 -5.656 -12.998 -6.655 1.00 0.00 O ATOM 1258 CB VAL A 82 -8.135 -13.305 -9.097 1.00 0.00 C ATOM 1259 CG1 VAL A 82 -7.414 -14.662 -9.258 1.00 0.00 C ATOM 1260 CG2 VAL A 82 -9.654 -13.593 -9.215 1.00 0.00 C ATOM 0 H VAL A 82 -8.636 -10.785 -8.568 1.00 0.00 H new ATOM 0 HA VAL A 82 -8.064 -13.207 -6.969 1.00 0.00 H new ATOM 0 HB VAL A 82 -7.817 -12.616 -9.880 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -7.727 -15.132 -10.191 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -6.336 -14.501 -9.276 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -7.670 -15.312 -8.421 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -9.853 -14.119 -10.149 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -9.974 -14.210 -8.375 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -10.205 -12.652 -9.204 1.00 0.00 H new ATOM 1270 N VAL A 83 -5.555 -11.479 -8.342 1.00 0.00 N ATOM 1271 CA VAL A 83 -4.105 -11.142 -8.239 1.00 0.00 C ATOM 1272 C VAL A 83 -3.251 -12.256 -8.925 1.00 0.00 C ATOM 1273 O VAL A 83 -3.389 -13.439 -8.603 1.00 0.00 O ATOM 1274 CB VAL A 83 -3.543 -10.702 -6.836 1.00 0.00 C ATOM 1275 CG1 VAL A 83 -2.182 -9.977 -6.978 1.00 0.00 C ATOM 1276 CG2 VAL A 83 -4.490 -9.827 -5.980 1.00 0.00 C ATOM 0 H VAL A 83 -6.022 -10.975 -9.096 1.00 0.00 H new ATOM 0 HA VAL A 83 -4.008 -10.203 -8.785 1.00 0.00 H new ATOM 0 HB VAL A 83 -3.431 -11.644 -6.299 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -1.820 -9.686 -5.992 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -1.460 -10.646 -7.446 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -2.306 -9.088 -7.596 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -4.004 -9.581 -5.036 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -4.722 -8.908 -6.518 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -5.412 -10.374 -5.782 1.00 0.00 H new ATOM 1286 N GLN A 84 -2.363 -11.850 -9.853 1.00 0.00 N ATOM 1287 CA GLN A 84 -1.391 -12.764 -10.517 1.00 0.00 C ATOM 1288 C GLN A 84 0.043 -12.240 -10.232 1.00 0.00 C ATOM 1289 O GLN A 84 0.334 -11.049 -10.384 1.00 0.00 O ATOM 1290 CB GLN A 84 -1.623 -12.847 -12.050 1.00 0.00 C ATOM 1291 CG GLN A 84 -2.734 -13.802 -12.549 1.00 0.00 C ATOM 1292 CD GLN A 84 -4.184 -13.453 -12.167 1.00 0.00 C ATOM 1293 OE1 GLN A 84 -4.626 -12.305 -12.231 1.00 0.00 O ATOM 1294 NE2 GLN A 84 -4.952 -14.453 -11.766 1.00 0.00 N ATOM 0 H GLN A 84 -2.293 -10.883 -10.169 1.00 0.00 H new ATOM 0 HA GLN A 84 -1.527 -13.768 -10.116 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -1.853 -11.845 -12.411 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -0.685 -13.147 -12.517 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -2.674 -13.852 -13.636 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -2.516 -14.801 -12.171 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -4.574 -15.399 -11.718 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -5.922 -14.278 -11.505 1.00 0.00 H new ATOM 1303 N LEU A 85 0.945 -13.168 -9.873 1.00 0.00 N ATOM 1304 CA LEU A 85 2.377 -12.868 -9.643 1.00 0.00 C ATOM 1305 C LEU A 85 3.162 -13.204 -10.940 1.00 0.00 C ATOM 1306 O LEU A 85 3.449 -14.372 -11.225 1.00 0.00 O ATOM 1307 CB LEU A 85 2.846 -13.651 -8.383 1.00 0.00 C ATOM 1308 CG LEU A 85 4.339 -13.523 -7.981 1.00 0.00 C ATOM 1309 CD1 LEU A 85 4.824 -12.069 -7.799 1.00 0.00 C ATOM 1310 CD2 LEU A 85 4.626 -14.340 -6.705 1.00 0.00 C ATOM 0 H LEU A 85 0.707 -14.150 -9.733 1.00 0.00 H new ATOM 0 HA LEU A 85 2.560 -11.813 -9.436 1.00 0.00 H new ATOM 0 HB2 LEU A 85 2.240 -13.325 -7.538 1.00 0.00 H new ATOM 0 HB3 LEU A 85 2.629 -14.707 -8.542 1.00 0.00 H new ATOM 0 HG LEU A 85 4.904 -13.927 -8.821 1.00 0.00 H new ATOM 0 HD11 LEU A 85 5.877 -12.069 -7.519 1.00 0.00 H new ATOM 0 HD12 LEU A 85 4.697 -11.523 -8.734 1.00 0.00 H new ATOM 0 HD13 LEU A 85 4.240 -11.586 -7.015 1.00 0.00 H new ATOM 0 HD21 LEU A 85 5.678 -14.239 -6.437 1.00 0.00 H new ATOM 0 HD22 LEU A 85 4.006 -13.969 -5.888 1.00 0.00 H new ATOM 0 HD23 LEU A 85 4.397 -15.390 -6.886 1.00 0.00 H new ATOM 1322 N GLU A 86 3.514 -12.152 -11.702 1.00 0.00 N ATOM 1323 CA GLU A 86 4.375 -12.268 -12.904 1.00 0.00 C ATOM 1324 C GLU A 86 5.863 -12.199 -12.477 1.00 0.00 C ATOM 1325 O GLU A 86 6.346 -11.185 -11.958 1.00 0.00 O ATOM 1326 CB GLU A 86 4.031 -11.156 -13.929 1.00 0.00 C ATOM 1327 CG GLU A 86 2.854 -11.523 -14.849 1.00 0.00 C ATOM 1328 CD GLU A 86 2.524 -10.409 -15.847 1.00 0.00 C ATOM 1329 OE1 GLU A 86 1.732 -9.505 -15.502 1.00 0.00 O ATOM 1330 OE2 GLU A 86 3.061 -10.430 -16.976 1.00 0.00 O ATOM 0 H GLU A 86 3.213 -11.197 -11.506 1.00 0.00 H new ATOM 0 HA GLU A 86 4.195 -13.227 -13.390 1.00 0.00 H new ATOM 0 HB2 GLU A 86 3.792 -10.238 -13.393 1.00 0.00 H new ATOM 0 HB3 GLU A 86 4.910 -10.949 -14.539 1.00 0.00 H new ATOM 0 HG2 GLU A 86 3.093 -12.436 -15.394 1.00 0.00 H new ATOM 0 HG3 GLU A 86 1.974 -11.735 -14.242 1.00 0.00 H new ATOM 1337 N GLY A 87 6.553 -13.330 -12.688 1.00 0.00 N ATOM 1338 CA GLY A 87 7.959 -13.514 -12.262 1.00 0.00 C ATOM 1339 C GLY A 87 8.107 -13.675 -10.736 1.00 0.00 C ATOM 1340 O GLY A 87 7.477 -14.543 -10.123 1.00 0.00 O ATOM 0 H GLY A 87 6.158 -14.145 -13.157 1.00 0.00 H new ATOM 0 HA2 GLY A 87 8.371 -14.393 -12.757 1.00 0.00 H new ATOM 0 HA3 GLY A 87 8.548 -12.658 -12.591 1.00 0.00 H new ATOM 1344 N ASP A 88 8.908 -12.782 -10.139 1.00 0.00 N ATOM 1345 CA ASP A 88 8.774 -12.437 -8.698 1.00 0.00 C ATOM 1346 C ASP A 88 9.036 -10.909 -8.526 1.00 0.00 C ATOM 1347 O ASP A 88 9.956 -10.493 -7.812 1.00 0.00 O ATOM 1348 CB ASP A 88 9.661 -13.367 -7.821 1.00 0.00 C ATOM 1349 CG ASP A 88 9.287 -13.360 -6.331 1.00 0.00 C ATOM 1350 OD1 ASP A 88 8.377 -14.122 -5.939 1.00 0.00 O ATOM 1351 OD2 ASP A 88 9.896 -12.594 -5.553 1.00 0.00 O ATOM 0 H ASP A 88 9.655 -12.282 -10.620 1.00 0.00 H new ATOM 0 HA ASP A 88 7.762 -12.620 -8.338 1.00 0.00 H new ATOM 0 HB2 ASP A 88 9.586 -14.386 -8.199 1.00 0.00 H new ATOM 0 HB3 ASP A 88 10.703 -13.064 -7.926 1.00 0.00 H new ATOM 1356 N ASN A 89 8.204 -10.077 -9.188 1.00 0.00 N ATOM 1357 CA ASN A 89 8.337 -8.594 -9.167 1.00 0.00 C ATOM 1358 C ASN A 89 6.997 -7.831 -9.360 1.00 0.00 C ATOM 1359 O ASN A 89 6.833 -6.805 -8.702 1.00 0.00 O ATOM 1360 CB ASN A 89 9.470 -8.051 -10.084 1.00 0.00 C ATOM 1361 CG ASN A 89 9.271 -8.114 -11.616 1.00 0.00 C ATOM 1362 OD1 ASN A 89 8.979 -9.167 -12.186 1.00 0.00 O ATOM 1363 ND2 ASN A 89 9.438 -6.997 -12.310 1.00 0.00 N ATOM 0 H ASN A 89 7.421 -10.408 -9.752 1.00 0.00 H new ATOM 0 HA ASN A 89 8.650 -8.375 -8.146 1.00 0.00 H new ATOM 0 HB2 ASN A 89 9.644 -7.009 -9.815 1.00 0.00 H new ATOM 0 HB3 ASN A 89 10.382 -8.599 -9.845 1.00 0.00 H new ATOM 0 HD21 ASN A 89 9.325 -7.005 -13.324 1.00 0.00 H new ATOM 0 HD22 ASN A 89 9.680 -6.130 -11.830 1.00 0.00 H new ATOM 1370 N LYS A 90 6.071 -8.275 -10.238 1.00 0.00 N ATOM 1371 CA LYS A 90 4.774 -7.583 -10.478 1.00 0.00 C ATOM 1372 C LYS A 90 3.611 -8.379 -9.828 1.00 0.00 C ATOM 1373 O LYS A 90 3.421 -9.559 -10.134 1.00 0.00 O ATOM 1374 CB LYS A 90 4.517 -7.418 -11.999 1.00 0.00 C ATOM 1375 CG LYS A 90 5.377 -6.348 -12.698 1.00 0.00 C ATOM 1376 CD LYS A 90 5.105 -6.190 -14.208 1.00 0.00 C ATOM 1377 CE LYS A 90 5.622 -7.353 -15.077 1.00 0.00 C ATOM 1378 NZ LYS A 90 5.428 -7.077 -16.510 1.00 0.00 N ATOM 0 H LYS A 90 6.195 -9.117 -10.800 1.00 0.00 H new ATOM 0 HA LYS A 90 4.824 -6.594 -10.023 1.00 0.00 H new ATOM 0 HB2 LYS A 90 4.692 -8.377 -12.487 1.00 0.00 H new ATOM 0 HB3 LYS A 90 3.466 -7.171 -12.149 1.00 0.00 H new ATOM 0 HG2 LYS A 90 5.207 -5.388 -12.209 1.00 0.00 H new ATOM 0 HG3 LYS A 90 6.429 -6.596 -12.556 1.00 0.00 H new ATOM 0 HD2 LYS A 90 4.031 -6.088 -14.362 1.00 0.00 H new ATOM 0 HD3 LYS A 90 5.565 -5.264 -14.552 1.00 0.00 H new ATOM 0 HE2 LYS A 90 6.681 -7.517 -14.876 1.00 0.00 H new ATOM 0 HE3 LYS A 90 5.100 -8.271 -14.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 5.786 -7.878 -17.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 4.415 -6.944 -16.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 5.946 -6.214 -16.771 1.00 0.00 H new ATOM 1392 N LEU A 91 2.801 -7.704 -8.990 1.00 0.00 N ATOM 1393 CA LEU A 91 1.479 -8.231 -8.545 1.00 0.00 C ATOM 1394 C LEU A 91 0.389 -7.391 -9.268 1.00 0.00 C ATOM 1395 O LEU A 91 0.094 -6.258 -8.873 1.00 0.00 O ATOM 1396 CB LEU A 91 1.338 -8.208 -6.994 1.00 0.00 C ATOM 1397 CG LEU A 91 2.160 -9.285 -6.227 1.00 0.00 C ATOM 1398 CD1 LEU A 91 2.352 -8.926 -4.742 1.00 0.00 C ATOM 1399 CD2 LEU A 91 1.538 -10.690 -6.337 1.00 0.00 C ATOM 0 H LEU A 91 3.032 -6.789 -8.602 1.00 0.00 H new ATOM 0 HA LEU A 91 1.369 -9.282 -8.814 1.00 0.00 H new ATOM 0 HB2 LEU A 91 1.638 -7.224 -6.635 1.00 0.00 H new ATOM 0 HB3 LEU A 91 0.285 -8.332 -6.741 1.00 0.00 H new ATOM 0 HG LEU A 91 3.136 -9.301 -6.711 1.00 0.00 H new ATOM 0 HD11 LEU A 91 2.931 -9.708 -4.251 1.00 0.00 H new ATOM 0 HD12 LEU A 91 2.883 -7.977 -4.663 1.00 0.00 H new ATOM 0 HD13 LEU A 91 1.378 -8.839 -4.260 1.00 0.00 H new ATOM 0 HD21 LEU A 91 2.150 -11.403 -5.785 1.00 0.00 H new ATOM 0 HD22 LEU A 91 0.531 -10.676 -5.919 1.00 0.00 H new ATOM 0 HD23 LEU A 91 1.492 -10.986 -7.385 1.00 0.00 H new ATOM 1411 N VAL A 92 -0.170 -7.962 -10.354 1.00 0.00 N ATOM 1412 CA VAL A 92 -1.108 -7.256 -11.275 1.00 0.00 C ATOM 1413 C VAL A 92 -2.572 -7.558 -10.847 1.00 0.00 C ATOM 1414 O VAL A 92 -2.964 -8.726 -10.760 1.00 0.00 O ATOM 1415 CB VAL A 92 -0.840 -7.572 -12.790 1.00 0.00 C ATOM 1416 CG1 VAL A 92 0.530 -7.046 -13.269 1.00 0.00 C ATOM 1417 CG2 VAL A 92 -0.987 -9.048 -13.232 1.00 0.00 C ATOM 0 H VAL A 92 0.012 -8.928 -10.625 1.00 0.00 H new ATOM 0 HA VAL A 92 -0.932 -6.184 -11.186 1.00 0.00 H new ATOM 0 HB VAL A 92 -1.655 -7.033 -13.273 1.00 0.00 H new ATOM 0 HG11 VAL A 92 0.666 -7.291 -14.323 1.00 0.00 H new ATOM 0 HG12 VAL A 92 0.570 -5.964 -13.139 1.00 0.00 H new ATOM 0 HG13 VAL A 92 1.323 -7.511 -12.684 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -0.776 -9.131 -14.298 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -0.285 -9.667 -12.673 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -2.004 -9.387 -13.036 1.00 0.00 H new ATOM 1427 N THR A 93 -3.366 -6.505 -10.558 1.00 0.00 N ATOM 1428 CA THR A 93 -4.727 -6.677 -9.974 1.00 0.00 C ATOM 1429 C THR A 93 -5.672 -5.502 -10.350 1.00 0.00 C ATOM 1430 O THR A 93 -5.323 -4.331 -10.186 1.00 0.00 O ATOM 1431 CB THR A 93 -4.657 -6.941 -8.441 1.00 0.00 C ATOM 1432 OG1 THR A 93 -5.960 -7.205 -7.945 1.00 0.00 O ATOM 1433 CG2 THR A 93 -4.041 -5.846 -7.554 1.00 0.00 C ATOM 0 H THR A 93 -3.098 -5.533 -10.715 1.00 0.00 H new ATOM 0 HA THR A 93 -5.171 -7.568 -10.419 1.00 0.00 H new ATOM 0 HB THR A 93 -3.973 -7.787 -8.370 1.00 0.00 H new ATOM 0 HG1 THR A 93 -5.977 -7.058 -6.976 1.00 0.00 H new ATOM 0 HG21 THR A 93 -4.059 -6.168 -6.513 1.00 0.00 H new ATOM 0 HG22 THR A 93 -3.010 -5.667 -7.860 1.00 0.00 H new ATOM 0 HG23 THR A 93 -4.616 -4.926 -7.659 1.00 0.00 H new ATOM 1441 N THR A 94 -6.896 -5.846 -10.793 1.00 0.00 N ATOM 1442 CA THR A 94 -7.961 -4.852 -11.111 1.00 0.00 C ATOM 1443 C THR A 94 -8.962 -4.786 -9.926 1.00 0.00 C ATOM 1444 O THR A 94 -9.581 -5.793 -9.562 1.00 0.00 O ATOM 1445 CB THR A 94 -8.693 -5.144 -12.452 1.00 0.00 C ATOM 1446 OG1 THR A 94 -9.230 -6.466 -12.480 1.00 0.00 O ATOM 1447 CG2 THR A 94 -7.816 -4.936 -13.699 1.00 0.00 C ATOM 0 H THR A 94 -7.182 -6.813 -10.943 1.00 0.00 H new ATOM 0 HA THR A 94 -7.482 -3.882 -11.248 1.00 0.00 H new ATOM 0 HB THR A 94 -9.499 -4.412 -12.491 1.00 0.00 H new ATOM 0 HG1 THR A 94 -9.569 -6.700 -11.591 1.00 0.00 H new ATOM 0 HG21 THR A 94 -8.397 -5.159 -14.594 1.00 0.00 H new ATOM 0 HG22 THR A 94 -7.476 -3.901 -13.736 1.00 0.00 H new ATOM 0 HG23 THR A 94 -6.953 -5.600 -13.652 1.00 0.00 H new ATOM 1455 N PHE A 95 -9.121 -3.584 -9.344 1.00 0.00 N ATOM 1456 CA PHE A 95 -10.001 -3.364 -8.158 1.00 0.00 C ATOM 1457 C PHE A 95 -11.481 -3.146 -8.584 1.00 0.00 C ATOM 1458 O PHE A 95 -12.316 -4.034 -8.387 1.00 0.00 O ATOM 1459 CB PHE A 95 -9.425 -2.267 -7.211 1.00 0.00 C ATOM 1460 CG PHE A 95 -8.027 -2.507 -6.595 1.00 0.00 C ATOM 1461 CD1 PHE A 95 -7.718 -3.702 -5.931 1.00 0.00 C ATOM 1462 CD2 PHE A 95 -7.053 -1.503 -6.673 1.00 0.00 C ATOM 1463 CE1 PHE A 95 -6.455 -3.897 -5.379 1.00 0.00 C ATOM 1464 CE2 PHE A 95 -5.794 -1.696 -6.113 1.00 0.00 C ATOM 1465 CZ PHE A 95 -5.493 -2.895 -5.473 1.00 0.00 C ATOM 0 H PHE A 95 -8.653 -2.739 -9.670 1.00 0.00 H new ATOM 0 HA PHE A 95 -10.010 -4.273 -7.556 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -9.390 -1.330 -7.767 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -10.132 -2.126 -6.393 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -8.465 -4.477 -5.847 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -7.281 -0.572 -7.171 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -6.222 -4.825 -4.878 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -5.050 -0.915 -6.175 1.00 0.00 H new ATOM 0 HZ PHE A 95 -4.512 -3.048 -5.049 1.00 0.00 H new ATOM 1475 N LYS A 96 -11.769 -1.990 -9.198 1.00 0.00 N ATOM 1476 CA LYS A 96 -13.035 -1.738 -9.942 1.00 0.00 C ATOM 1477 C LYS A 96 -12.630 -1.394 -11.404 1.00 0.00 C ATOM 1478 O LYS A 96 -12.701 -2.277 -12.264 1.00 0.00 O ATOM 1479 CB LYS A 96 -13.947 -0.690 -9.241 1.00 0.00 C ATOM 1480 CG LYS A 96 -14.579 -1.161 -7.908 1.00 0.00 C ATOM 1481 CD LYS A 96 -15.465 -0.111 -7.207 1.00 0.00 C ATOM 1482 CE LYS A 96 -16.820 0.148 -7.899 1.00 0.00 C ATOM 1483 NZ LYS A 96 -17.601 1.182 -7.195 1.00 0.00 N ATOM 0 H LYS A 96 -11.134 -1.192 -9.199 1.00 0.00 H new ATOM 0 HA LYS A 96 -13.673 -2.622 -9.954 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -13.362 0.209 -9.050 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -14.747 -0.410 -9.926 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -15.178 -2.051 -8.100 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -13.780 -1.455 -7.227 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -15.651 -0.436 -6.183 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -14.916 0.829 -7.149 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -16.649 0.459 -8.930 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -17.393 -0.779 -7.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -18.505 1.330 -7.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -17.785 0.874 -6.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -17.065 2.073 -7.181 1.00 0.00 H new ATOM 1497 N ASN A 97 -12.151 -0.161 -11.676 1.00 0.00 N ATOM 1498 CA ASN A 97 -11.344 0.139 -12.892 1.00 0.00 C ATOM 1499 C ASN A 97 -10.017 0.831 -12.446 1.00 0.00 C ATOM 1500 O ASN A 97 -9.793 2.012 -12.725 1.00 0.00 O ATOM 1501 CB ASN A 97 -12.222 0.948 -13.891 1.00 0.00 C ATOM 1502 CG ASN A 97 -11.588 1.179 -15.280 1.00 0.00 C ATOM 1503 OD1 ASN A 97 -11.323 0.236 -16.027 1.00 0.00 O ATOM 1504 ND2 ASN A 97 -11.338 2.424 -15.655 1.00 0.00 N ATOM 0 H ASN A 97 -12.306 0.647 -11.073 1.00 0.00 H new ATOM 0 HA ASN A 97 -11.043 -0.758 -13.434 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -13.170 0.426 -14.023 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -12.451 1.917 -13.447 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -10.923 2.608 -16.568 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -11.560 3.199 -15.030 1.00 0.00 H new ATOM 1511 N ILE A 98 -9.143 0.081 -11.741 1.00 0.00 N ATOM 1512 CA ILE A 98 -7.846 0.594 -11.218 1.00 0.00 C ATOM 1513 C ILE A 98 -6.879 -0.611 -11.406 1.00 0.00 C ATOM 1514 O ILE A 98 -6.884 -1.531 -10.579 1.00 0.00 O ATOM 1515 CB ILE A 98 -7.915 1.078 -9.717 1.00 0.00 C ATOM 1516 CG1 ILE A 98 -8.940 2.218 -9.435 1.00 0.00 C ATOM 1517 CG2 ILE A 98 -6.515 1.507 -9.207 1.00 0.00 C ATOM 1518 CD1 ILE A 98 -9.312 2.425 -7.958 1.00 0.00 C ATOM 0 H ILE A 98 -9.312 -0.899 -11.515 1.00 0.00 H new ATOM 0 HA ILE A 98 -7.522 1.491 -11.747 1.00 0.00 H new ATOM 0 HB ILE A 98 -8.274 0.207 -9.169 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -8.534 3.152 -9.823 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -9.852 2.010 -9.995 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -6.590 1.836 -8.171 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -5.830 0.662 -9.270 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -6.139 2.325 -9.821 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -10.030 3.241 -7.875 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -9.754 1.511 -7.563 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -8.416 2.671 -7.388 1.00 0.00 H new ATOM 1530 N LYS A 99 -6.034 -0.591 -12.459 1.00 0.00 N ATOM 1531 CA LYS A 99 -5.056 -1.691 -12.698 1.00 0.00 C ATOM 1532 C LYS A 99 -3.736 -1.391 -11.930 1.00 0.00 C ATOM 1533 O LYS A 99 -2.885 -0.626 -12.391 1.00 0.00 O ATOM 1534 CB LYS A 99 -4.844 -1.957 -14.213 1.00 0.00 C ATOM 1535 CG LYS A 99 -4.199 -3.330 -14.508 1.00 0.00 C ATOM 1536 CD LYS A 99 -3.973 -3.590 -16.013 1.00 0.00 C ATOM 1537 CE LYS A 99 -3.464 -5.006 -16.352 1.00 0.00 C ATOM 1538 NZ LYS A 99 -2.091 -5.274 -15.881 1.00 0.00 N ATOM 0 H LYS A 99 -6.003 0.158 -13.150 1.00 0.00 H new ATOM 0 HA LYS A 99 -5.460 -2.623 -12.303 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -5.805 -1.898 -14.723 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -4.214 -1.171 -14.628 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -3.243 -3.393 -13.988 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -4.835 -4.117 -14.102 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -4.910 -3.419 -16.542 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -3.256 -2.861 -16.390 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -4.139 -5.740 -15.911 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -3.502 -5.147 -17.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -1.817 -6.242 -16.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -1.435 -4.597 -16.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -2.053 -5.172 -14.847 1.00 0.00 H new ATOM 1552 N SER A 100 -3.606 -2.018 -10.750 1.00 0.00 N ATOM 1553 CA SER A 100 -2.465 -1.829 -9.826 1.00 0.00 C ATOM 1554 C SER A 100 -1.330 -2.818 -10.180 1.00 0.00 C ATOM 1555 O SER A 100 -1.399 -4.008 -9.859 1.00 0.00 O ATOM 1556 CB SER A 100 -3.003 -2.031 -8.394 1.00 0.00 C ATOM 1557 OG SER A 100 -1.996 -1.787 -7.422 1.00 0.00 O ATOM 0 H SER A 100 -4.298 -2.681 -10.402 1.00 0.00 H new ATOM 0 HA SER A 100 -2.036 -0.830 -9.909 1.00 0.00 H new ATOM 0 HB2 SER A 100 -3.846 -1.361 -8.223 1.00 0.00 H new ATOM 0 HB3 SER A 100 -3.377 -3.049 -8.285 1.00 0.00 H new ATOM 0 HG SER A 100 -1.205 -1.408 -7.859 1.00 0.00 H new ATOM 1563 N VAL A 101 -0.294 -2.292 -10.852 1.00 0.00 N ATOM 1564 CA VAL A 101 0.870 -3.089 -11.322 1.00 0.00 C ATOM 1565 C VAL A 101 1.995 -2.805 -10.285 1.00 0.00 C ATOM 1566 O VAL A 101 2.675 -1.776 -10.365 1.00 0.00 O ATOM 1567 CB VAL A 101 1.240 -2.702 -12.799 1.00 0.00 C ATOM 1568 CG1 VAL A 101 2.518 -3.404 -13.314 1.00 0.00 C ATOM 1569 CG2 VAL A 101 0.099 -2.966 -13.813 1.00 0.00 C ATOM 0 H VAL A 101 -0.232 -1.302 -11.089 1.00 0.00 H new ATOM 0 HA VAL A 101 0.675 -4.160 -11.369 1.00 0.00 H new ATOM 0 HB VAL A 101 1.420 -1.628 -12.740 1.00 0.00 H new ATOM 0 HG11 VAL A 101 2.716 -3.092 -14.340 1.00 0.00 H new ATOM 0 HG12 VAL A 101 3.363 -3.131 -12.682 1.00 0.00 H new ATOM 0 HG13 VAL A 101 2.377 -4.484 -13.284 1.00 0.00 H new ATOM 0 HG21 VAL A 101 0.425 -2.675 -14.812 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -0.154 -4.026 -13.808 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -0.778 -2.382 -13.534 1.00 0.00 H new ATOM 1579 N THR A 102 2.159 -3.710 -9.302 1.00 0.00 N ATOM 1580 CA THR A 102 3.011 -3.453 -8.105 1.00 0.00 C ATOM 1581 C THR A 102 4.453 -3.965 -8.398 1.00 0.00 C ATOM 1582 O THR A 102 4.795 -5.097 -8.050 1.00 0.00 O ATOM 1583 CB THR A 102 2.317 -4.078 -6.855 1.00 0.00 C ATOM 1584 OG1 THR A 102 0.969 -3.623 -6.738 1.00 0.00 O ATOM 1585 CG2 THR A 102 3.009 -3.756 -5.523 1.00 0.00 C ATOM 0 H THR A 102 1.716 -4.629 -9.305 1.00 0.00 H new ATOM 0 HA THR A 102 3.117 -2.391 -7.882 1.00 0.00 H new ATOM 0 HB THR A 102 2.373 -5.153 -7.027 1.00 0.00 H new ATOM 0 HG1 THR A 102 0.554 -4.029 -5.948 1.00 0.00 H new ATOM 0 HG21 THR A 102 2.463 -4.228 -4.706 1.00 0.00 H new ATOM 0 HG22 THR A 102 4.031 -4.134 -5.543 1.00 0.00 H new ATOM 0 HG23 THR A 102 3.025 -2.677 -5.373 1.00 0.00 H new ATOM 1593 N GLU A 103 5.268 -3.129 -9.076 1.00 0.00 N ATOM 1594 CA GLU A 103 6.503 -3.571 -9.776 1.00 0.00 C ATOM 1595 C GLU A 103 7.744 -3.294 -8.893 1.00 0.00 C ATOM 1596 O GLU A 103 7.948 -2.178 -8.411 1.00 0.00 O ATOM 1597 CB GLU A 103 6.609 -2.821 -11.126 1.00 0.00 C ATOM 1598 CG GLU A 103 7.668 -3.370 -12.107 1.00 0.00 C ATOM 1599 CD GLU A 103 7.685 -2.604 -13.432 1.00 0.00 C ATOM 1600 OE1 GLU A 103 6.910 -2.957 -14.347 1.00 0.00 O ATOM 1601 OE2 GLU A 103 8.471 -1.638 -13.562 1.00 0.00 O ATOM 0 H GLU A 103 5.092 -2.127 -9.156 1.00 0.00 H new ATOM 0 HA GLU A 103 6.459 -4.644 -9.965 1.00 0.00 H new ATOM 0 HB2 GLU A 103 5.636 -2.849 -11.616 1.00 0.00 H new ATOM 0 HB3 GLU A 103 6.834 -1.774 -10.924 1.00 0.00 H new ATOM 0 HG2 GLU A 103 8.653 -3.313 -11.644 1.00 0.00 H new ATOM 0 HG3 GLU A 103 7.468 -4.424 -12.302 1.00 0.00 H new ATOM 1608 N LEU A 104 8.574 -4.323 -8.715 1.00 0.00 N ATOM 1609 CA LEU A 104 9.658 -4.325 -7.698 1.00 0.00 C ATOM 1610 C LEU A 104 11.033 -4.326 -8.421 1.00 0.00 C ATOM 1611 O LEU A 104 11.392 -5.299 -9.093 1.00 0.00 O ATOM 1612 CB LEU A 104 9.451 -5.545 -6.753 1.00 0.00 C ATOM 1613 CG LEU A 104 9.981 -5.398 -5.303 1.00 0.00 C ATOM 1614 CD1 LEU A 104 9.688 -6.684 -4.515 1.00 0.00 C ATOM 1615 CD2 LEU A 104 11.470 -5.036 -5.171 1.00 0.00 C ATOM 0 H LEU A 104 8.525 -5.182 -9.263 1.00 0.00 H new ATOM 0 HA LEU A 104 9.632 -3.429 -7.077 1.00 0.00 H new ATOM 0 HB2 LEU A 104 8.384 -5.762 -6.705 1.00 0.00 H new ATOM 0 HB3 LEU A 104 9.932 -6.412 -7.205 1.00 0.00 H new ATOM 0 HG LEU A 104 9.446 -4.543 -4.890 1.00 0.00 H new ATOM 0 HD11 LEU A 104 10.061 -6.579 -3.496 1.00 0.00 H new ATOM 0 HD12 LEU A 104 8.612 -6.859 -4.491 1.00 0.00 H new ATOM 0 HD13 LEU A 104 10.182 -7.527 -4.998 1.00 0.00 H new ATOM 0 HD21 LEU A 104 11.733 -4.959 -4.116 1.00 0.00 H new ATOM 0 HD22 LEU A 104 12.076 -5.811 -5.640 1.00 0.00 H new ATOM 0 HD23 LEU A 104 11.657 -4.081 -5.663 1.00 0.00 H new ATOM 1627 N ASN A 105 11.792 -3.226 -8.263 1.00 0.00 N ATOM 1628 CA ASN A 105 13.116 -3.049 -8.921 1.00 0.00 C ATOM 1629 C ASN A 105 14.197 -2.886 -7.816 1.00 0.00 C ATOM 1630 O ASN A 105 14.313 -1.824 -7.195 1.00 0.00 O ATOM 1631 CB ASN A 105 13.069 -1.839 -9.900 1.00 0.00 C ATOM 1632 CG ASN A 105 12.283 -2.083 -11.207 1.00 0.00 C ATOM 1633 OD1 ASN A 105 12.839 -2.532 -12.210 1.00 0.00 O ATOM 1634 ND2 ASN A 105 10.989 -1.803 -11.228 1.00 0.00 N ATOM 0 H ASN A 105 11.514 -2.435 -7.681 1.00 0.00 H new ATOM 0 HA ASN A 105 13.372 -3.922 -9.521 1.00 0.00 H new ATOM 0 HB2 ASN A 105 12.626 -0.989 -9.381 1.00 0.00 H new ATOM 0 HB3 ASN A 105 14.091 -1.559 -10.156 1.00 0.00 H new ATOM 0 HD21 ASN A 105 10.447 -1.959 -12.078 1.00 0.00 H new ATOM 0 HD22 ASN A 105 10.534 -1.431 -10.394 1.00 0.00 H new ATOM 1641 N GLY A 106 14.976 -3.957 -7.567 1.00 0.00 N ATOM 1642 CA GLY A 106 16.050 -3.958 -6.543 1.00 0.00 C ATOM 1643 C GLY A 106 15.510 -4.168 -5.114 1.00 0.00 C ATOM 1644 O GLY A 106 14.889 -5.197 -4.830 1.00 0.00 O ATOM 0 H GLY A 106 14.883 -4.843 -8.064 1.00 0.00 H new ATOM 0 HA2 GLY A 106 16.767 -4.745 -6.775 1.00 0.00 H new ATOM 0 HA3 GLY A 106 16.590 -3.012 -6.588 1.00 0.00 H new ATOM 1648 N ASP A 107 15.722 -3.168 -4.240 1.00 0.00 N ATOM 1649 CA ASP A 107 14.945 -3.032 -2.974 1.00 0.00 C ATOM 1650 C ASP A 107 14.286 -1.619 -2.898 1.00 0.00 C ATOM 1651 O ASP A 107 14.495 -0.849 -1.954 1.00 0.00 O ATOM 1652 CB ASP A 107 15.817 -3.368 -1.734 1.00 0.00 C ATOM 1653 CG ASP A 107 16.176 -4.852 -1.567 1.00 0.00 C ATOM 1654 OD1 ASP A 107 15.355 -5.612 -1.008 1.00 0.00 O ATOM 1655 OD2 ASP A 107 17.275 -5.261 -2.000 1.00 0.00 O ATOM 0 H ASP A 107 16.421 -2.438 -4.378 1.00 0.00 H new ATOM 0 HA ASP A 107 14.137 -3.763 -2.972 1.00 0.00 H new ATOM 0 HB2 ASP A 107 16.741 -2.792 -1.793 1.00 0.00 H new ATOM 0 HB3 ASP A 107 15.291 -3.036 -0.839 1.00 0.00 H new ATOM 1660 N ILE A 108 13.425 -1.318 -3.887 1.00 0.00 N ATOM 1661 CA ILE A 108 12.362 -0.286 -3.774 1.00 0.00 C ATOM 1662 C ILE A 108 10.991 -0.987 -4.088 1.00 0.00 C ATOM 1663 O ILE A 108 10.887 -2.218 -4.107 1.00 0.00 O ATOM 1664 CB ILE A 108 12.692 0.996 -4.618 1.00 0.00 C ATOM 1665 CG1 ILE A 108 12.673 0.794 -6.160 1.00 0.00 C ATOM 1666 CG2 ILE A 108 13.988 1.728 -4.192 1.00 0.00 C ATOM 1667 CD1 ILE A 108 12.129 2.003 -6.929 1.00 0.00 C ATOM 0 H ILE A 108 13.442 -1.783 -4.795 1.00 0.00 H new ATOM 0 HA ILE A 108 12.296 0.117 -2.763 1.00 0.00 H new ATOM 0 HB ILE A 108 11.851 1.644 -4.373 1.00 0.00 H new ATOM 0 HG12 ILE A 108 13.686 0.581 -6.503 1.00 0.00 H new ATOM 0 HG13 ILE A 108 12.066 -0.080 -6.396 1.00 0.00 H new ATOM 0 HG21 ILE A 108 14.139 2.601 -4.827 1.00 0.00 H new ATOM 0 HG22 ILE A 108 13.901 2.046 -3.153 1.00 0.00 H new ATOM 0 HG23 ILE A 108 14.838 1.053 -4.295 1.00 0.00 H new ATOM 0 HD11 ILE A 108 12.145 1.791 -7.998 1.00 0.00 H new ATOM 0 HD12 ILE A 108 11.105 2.204 -6.614 1.00 0.00 H new ATOM 0 HD13 ILE A 108 12.750 2.875 -6.722 1.00 0.00 H new ATOM 1679 N ILE A 109 9.921 -0.213 -4.358 1.00 0.00 N ATOM 1680 CA ILE A 109 8.719 -0.731 -5.061 1.00 0.00 C ATOM 1681 C ILE A 109 7.994 0.468 -5.736 1.00 0.00 C ATOM 1682 O ILE A 109 7.643 1.454 -5.082 1.00 0.00 O ATOM 1683 CB ILE A 109 7.816 -1.661 -4.172 1.00 0.00 C ATOM 1684 CG1 ILE A 109 6.949 -2.613 -5.038 1.00 0.00 C ATOM 1685 CG2 ILE A 109 6.971 -0.928 -3.102 1.00 0.00 C ATOM 1686 CD1 ILE A 109 6.501 -3.887 -4.316 1.00 0.00 C ATOM 0 H ILE A 109 9.860 0.773 -4.102 1.00 0.00 H new ATOM 0 HA ILE A 109 9.021 -1.420 -5.850 1.00 0.00 H new ATOM 0 HB ILE A 109 8.521 -2.262 -3.597 1.00 0.00 H new ATOM 0 HG12 ILE A 109 6.066 -2.072 -5.379 1.00 0.00 H new ATOM 0 HG13 ILE A 109 7.514 -2.893 -5.927 1.00 0.00 H new ATOM 0 HG21 ILE A 109 6.383 -1.655 -2.542 1.00 0.00 H new ATOM 0 HG22 ILE A 109 7.632 -0.393 -2.420 1.00 0.00 H new ATOM 0 HG23 ILE A 109 6.302 -0.219 -3.590 1.00 0.00 H new ATOM 0 HD11 ILE A 109 5.900 -4.496 -4.992 1.00 0.00 H new ATOM 0 HD12 ILE A 109 7.377 -4.453 -3.999 1.00 0.00 H new ATOM 0 HD13 ILE A 109 5.906 -3.620 -3.442 1.00 0.00 H new ATOM 1698 N THR A 110 7.776 0.342 -7.054 1.00 0.00 N ATOM 1699 CA THR A 110 7.107 1.373 -7.888 1.00 0.00 C ATOM 1700 C THR A 110 5.719 0.798 -8.283 1.00 0.00 C ATOM 1701 O THR A 110 5.611 0.007 -9.227 1.00 0.00 O ATOM 1702 CB THR A 110 8.013 1.719 -9.105 1.00 0.00 C ATOM 1703 OG1 THR A 110 9.276 2.202 -8.660 1.00 0.00 O ATOM 1704 CG2 THR A 110 7.434 2.792 -10.040 1.00 0.00 C ATOM 0 H THR A 110 8.059 -0.483 -7.583 1.00 0.00 H new ATOM 0 HA THR A 110 6.952 2.313 -7.358 1.00 0.00 H new ATOM 0 HB THR A 110 8.095 0.785 -9.662 1.00 0.00 H new ATOM 0 HG1 THR A 110 9.837 2.414 -9.435 1.00 0.00 H new ATOM 0 HG21 THR A 110 8.128 2.973 -10.861 1.00 0.00 H new ATOM 0 HG22 THR A 110 6.480 2.449 -10.441 1.00 0.00 H new ATOM 0 HG23 THR A 110 7.282 3.717 -9.483 1.00 0.00 H new ATOM 1712 N ASN A 111 4.666 1.208 -7.550 1.00 0.00 N ATOM 1713 CA ASN A 111 3.278 0.737 -7.802 1.00 0.00 C ATOM 1714 C ASN A 111 2.549 1.736 -8.737 1.00 0.00 C ATOM 1715 O ASN A 111 2.447 2.931 -8.446 1.00 0.00 O ATOM 1716 CB ASN A 111 2.509 0.494 -6.477 1.00 0.00 C ATOM 1717 CG ASN A 111 1.181 -0.292 -6.609 1.00 0.00 C ATOM 1718 OD1 ASN A 111 0.721 -0.673 -7.688 1.00 0.00 O ATOM 1719 ND2 ASN A 111 0.540 -0.558 -5.488 1.00 0.00 N ATOM 0 H ASN A 111 4.744 1.866 -6.775 1.00 0.00 H new ATOM 0 HA ASN A 111 3.317 -0.228 -8.307 1.00 0.00 H new ATOM 0 HB2 ASN A 111 3.163 -0.045 -5.792 1.00 0.00 H new ATOM 0 HB3 ASN A 111 2.295 1.460 -6.020 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -0.337 -1.079 -5.513 1.00 0.00 H new ATOM 0 HD22 ASN A 111 0.921 -0.243 -4.596 1.00 0.00 H new ATOM 1726 N THR A 112 2.049 1.200 -9.858 1.00 0.00 N ATOM 1727 CA THR A 112 1.495 2.005 -10.974 1.00 0.00 C ATOM 1728 C THR A 112 -0.026 1.683 -11.061 1.00 0.00 C ATOM 1729 O THR A 112 -0.436 0.715 -11.707 1.00 0.00 O ATOM 1730 CB THR A 112 2.297 1.694 -12.273 1.00 0.00 C ATOM 1731 OG1 THR A 112 3.699 1.843 -12.058 1.00 0.00 O ATOM 1732 CG2 THR A 112 1.935 2.606 -13.452 1.00 0.00 C ATOM 0 H THR A 112 2.014 0.194 -10.025 1.00 0.00 H new ATOM 0 HA THR A 112 1.595 3.079 -10.819 1.00 0.00 H new ATOM 0 HB THR A 112 2.031 0.666 -12.520 1.00 0.00 H new ATOM 0 HG1 THR A 112 4.180 1.641 -12.887 1.00 0.00 H new ATOM 0 HG21 THR A 112 2.532 2.331 -14.321 1.00 0.00 H new ATOM 0 HG22 THR A 112 0.877 2.493 -13.688 1.00 0.00 H new ATOM 0 HG23 THR A 112 2.138 3.643 -13.185 1.00 0.00 H new ATOM 1740 N MET A 113 -0.841 2.515 -10.389 1.00 0.00 N ATOM 1741 CA MET A 113 -2.317 2.345 -10.312 1.00 0.00 C ATOM 1742 C MET A 113 -2.984 3.174 -11.444 1.00 0.00 C ATOM 1743 O MET A 113 -3.145 4.393 -11.333 1.00 0.00 O ATOM 1744 CB MET A 113 -2.849 2.763 -8.915 1.00 0.00 C ATOM 1745 CG MET A 113 -2.448 1.862 -7.739 1.00 0.00 C ATOM 1746 SD MET A 113 -3.296 2.439 -6.254 1.00 0.00 S ATOM 1747 CE MET A 113 -2.723 1.223 -5.055 1.00 0.00 C ATOM 0 H MET A 113 -0.501 3.330 -9.879 1.00 0.00 H new ATOM 0 HA MET A 113 -2.569 1.293 -10.449 1.00 0.00 H new ATOM 0 HB2 MET A 113 -2.502 3.775 -8.705 1.00 0.00 H new ATOM 0 HB3 MET A 113 -3.937 2.802 -8.961 1.00 0.00 H new ATOM 0 HG2 MET A 113 -2.715 0.826 -7.948 1.00 0.00 H new ATOM 0 HG3 MET A 113 -1.368 1.890 -7.593 1.00 0.00 H new ATOM 0 HE1 MET A 113 -3.159 1.440 -4.080 1.00 0.00 H new ATOM 0 HE2 MET A 113 -3.027 0.226 -5.374 1.00 0.00 H new ATOM 0 HE3 MET A 113 -1.636 1.266 -4.984 1.00 0.00 H new ATOM 1757 N THR A 114 -3.352 2.484 -12.539 1.00 0.00 N ATOM 1758 CA THR A 114 -3.837 3.139 -13.785 1.00 0.00 C ATOM 1759 C THR A 114 -5.390 3.192 -13.769 1.00 0.00 C ATOM 1760 O THR A 114 -6.069 2.204 -14.068 1.00 0.00 O ATOM 1761 CB THR A 114 -3.265 2.460 -15.067 1.00 0.00 C ATOM 1762 OG1 THR A 114 -3.638 1.091 -15.145 1.00 0.00 O ATOM 1763 CG2 THR A 114 -1.739 2.543 -15.209 1.00 0.00 C ATOM 0 H THR A 114 -3.325 1.466 -12.594 1.00 0.00 H new ATOM 0 HA THR A 114 -3.464 4.163 -13.815 1.00 0.00 H new ATOM 0 HB THR A 114 -3.706 3.033 -15.883 1.00 0.00 H new ATOM 0 HG1 THR A 114 -4.525 0.970 -14.747 1.00 0.00 H new ATOM 0 HG21 THR A 114 -1.432 2.045 -16.128 1.00 0.00 H new ATOM 0 HG22 THR A 114 -1.433 3.589 -15.243 1.00 0.00 H new ATOM 0 HG23 THR A 114 -1.267 2.054 -14.356 1.00 0.00 H new ATOM 1771 N LEU A 115 -5.933 4.370 -13.413 1.00 0.00 N ATOM 1772 CA LEU A 115 -7.394 4.633 -13.385 1.00 0.00 C ATOM 1773 C LEU A 115 -7.795 5.320 -14.720 1.00 0.00 C ATOM 1774 O LEU A 115 -7.835 6.552 -14.809 1.00 0.00 O ATOM 1775 CB LEU A 115 -7.672 5.478 -12.105 1.00 0.00 C ATOM 1776 CG LEU A 115 -9.075 6.116 -11.894 1.00 0.00 C ATOM 1777 CD1 LEU A 115 -10.237 5.105 -11.884 1.00 0.00 C ATOM 1778 CD2 LEU A 115 -9.069 6.944 -10.597 1.00 0.00 C ATOM 0 H LEU A 115 -5.372 5.175 -13.134 1.00 0.00 H new ATOM 0 HA LEU A 115 -8.005 3.733 -13.322 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -7.471 4.841 -11.244 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -6.940 6.285 -12.082 1.00 0.00 H new ATOM 0 HG LEU A 115 -9.258 6.755 -12.758 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -11.178 5.634 -11.732 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -10.268 4.577 -12.837 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -10.089 4.388 -11.076 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -10.051 7.392 -10.447 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -8.833 6.296 -9.753 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -8.319 7.731 -10.671 1.00 0.00 H new ATOM 1790 N GLY A 116 -8.054 4.509 -15.766 1.00 0.00 N ATOM 1791 CA GLY A 116 -8.326 5.024 -17.130 1.00 0.00 C ATOM 1792 C GLY A 116 -7.064 5.582 -17.823 1.00 0.00 C ATOM 1793 O GLY A 116 -6.236 4.817 -18.325 1.00 0.00 O ATOM 0 H GLY A 116 -8.081 3.492 -15.695 1.00 0.00 H new ATOM 0 HA2 GLY A 116 -8.745 4.223 -17.739 1.00 0.00 H new ATOM 0 HA3 GLY A 116 -9.080 5.809 -17.073 1.00 0.00 H new ATOM 1797 N ASP A 117 -6.935 6.918 -17.799 1.00 0.00 N ATOM 1798 CA ASP A 117 -5.689 7.635 -18.213 1.00 0.00 C ATOM 1799 C ASP A 117 -4.792 8.153 -17.035 1.00 0.00 C ATOM 1800 O ASP A 117 -3.665 8.582 -17.304 1.00 0.00 O ATOM 1801 CB ASP A 117 -6.062 8.819 -19.153 1.00 0.00 C ATOM 1802 CG ASP A 117 -6.631 8.416 -20.523 1.00 0.00 C ATOM 1803 OD1 ASP A 117 -5.844 8.052 -21.424 1.00 0.00 O ATOM 1804 OD2 ASP A 117 -7.870 8.459 -20.698 1.00 0.00 O ATOM 0 H ASP A 117 -7.682 7.543 -17.495 1.00 0.00 H new ATOM 0 HA ASP A 117 -5.081 6.892 -18.728 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -6.793 9.448 -18.645 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -5.173 9.429 -19.312 1.00 0.00 H new ATOM 1809 N ILE A 118 -5.250 8.136 -15.761 1.00 0.00 N ATOM 1810 CA ILE A 118 -4.531 8.750 -14.607 1.00 0.00 C ATOM 1811 C ILE A 118 -3.539 7.683 -14.053 1.00 0.00 C ATOM 1812 O ILE A 118 -3.955 6.704 -13.426 1.00 0.00 O ATOM 1813 CB ILE A 118 -5.555 9.271 -13.531 1.00 0.00 C ATOM 1814 CG1 ILE A 118 -6.565 10.327 -14.086 1.00 0.00 C ATOM 1815 CG2 ILE A 118 -4.829 9.861 -12.292 1.00 0.00 C ATOM 1816 CD1 ILE A 118 -7.774 10.627 -13.185 1.00 0.00 C ATOM 0 H ILE A 118 -6.132 7.696 -15.498 1.00 0.00 H new ATOM 0 HA ILE A 118 -3.962 9.628 -14.912 1.00 0.00 H new ATOM 0 HB ILE A 118 -6.128 8.391 -13.239 1.00 0.00 H new ATOM 0 HG12 ILE A 118 -6.028 11.258 -14.265 1.00 0.00 H new ATOM 0 HG13 ILE A 118 -6.932 9.980 -15.052 1.00 0.00 H new ATOM 0 HG21 ILE A 118 -5.567 10.211 -11.570 1.00 0.00 H new ATOM 0 HG22 ILE A 118 -4.209 9.091 -11.833 1.00 0.00 H new ATOM 0 HG23 ILE A 118 -4.201 10.696 -12.602 1.00 0.00 H new ATOM 0 HD11 ILE A 118 -8.409 11.372 -13.665 1.00 0.00 H new ATOM 0 HD12 ILE A 118 -8.344 9.712 -13.025 1.00 0.00 H new ATOM 0 HD13 ILE A 118 -7.427 11.010 -12.226 1.00 0.00 H new ATOM 1828 N VAL A 119 -2.232 7.901 -14.287 1.00 0.00 N ATOM 1829 CA VAL A 119 -1.172 6.905 -13.961 1.00 0.00 C ATOM 1830 C VAL A 119 -0.560 7.316 -12.585 1.00 0.00 C ATOM 1831 O VAL A 119 0.374 8.124 -12.529 1.00 0.00 O ATOM 1832 CB VAL A 119 -0.131 6.803 -15.134 1.00 0.00 C ATOM 1833 CG1 VAL A 119 0.974 5.762 -14.856 1.00 0.00 C ATOM 1834 CG2 VAL A 119 -0.751 6.457 -16.513 1.00 0.00 C ATOM 0 H VAL A 119 -1.874 8.761 -14.703 1.00 0.00 H new ATOM 0 HA VAL A 119 -1.572 5.896 -13.864 1.00 0.00 H new ATOM 0 HB VAL A 119 0.287 7.809 -15.179 1.00 0.00 H new ATOM 0 HG11 VAL A 119 1.666 5.732 -15.698 1.00 0.00 H new ATOM 0 HG12 VAL A 119 1.515 6.039 -13.951 1.00 0.00 H new ATOM 0 HG13 VAL A 119 0.522 4.779 -14.723 1.00 0.00 H new ATOM 0 HG21 VAL A 119 0.037 6.407 -17.264 1.00 0.00 H new ATOM 0 HG22 VAL A 119 -1.257 5.493 -16.453 1.00 0.00 H new ATOM 0 HG23 VAL A 119 -1.470 7.227 -16.792 1.00 0.00 H new ATOM 1844 N PHE A 120 -1.094 6.744 -11.484 1.00 0.00 N ATOM 1845 CA PHE A 120 -0.637 7.061 -10.105 1.00 0.00 C ATOM 1846 C PHE A 120 0.622 6.232 -9.753 1.00 0.00 C ATOM 1847 O PHE A 120 0.543 5.026 -9.505 1.00 0.00 O ATOM 1848 CB PHE A 120 -1.793 6.855 -9.083 1.00 0.00 C ATOM 1849 CG PHE A 120 -1.503 7.053 -7.571 1.00 0.00 C ATOM 1850 CD1 PHE A 120 -0.573 8.000 -7.122 1.00 0.00 C ATOM 1851 CD2 PHE A 120 -2.195 6.287 -6.624 1.00 0.00 C ATOM 1852 CE1 PHE A 120 -0.348 8.182 -5.766 1.00 0.00 C ATOM 1853 CE2 PHE A 120 -1.974 6.480 -5.260 1.00 0.00 C ATOM 1854 CZ PHE A 120 -1.049 7.430 -4.832 1.00 0.00 C ATOM 0 H PHE A 120 -1.846 6.056 -11.520 1.00 0.00 H new ATOM 0 HA PHE A 120 -0.355 8.113 -10.053 1.00 0.00 H new ATOM 0 HB2 PHE A 120 -2.599 7.536 -9.356 1.00 0.00 H new ATOM 0 HB3 PHE A 120 -2.173 5.842 -9.216 1.00 0.00 H new ATOM 0 HD1 PHE A 120 -0.026 8.594 -7.839 1.00 0.00 H new ATOM 0 HD2 PHE A 120 -2.905 5.542 -6.952 1.00 0.00 H new ATOM 0 HE1 PHE A 120 0.376 8.912 -5.434 1.00 0.00 H new ATOM 0 HE2 PHE A 120 -2.520 5.893 -4.536 1.00 0.00 H new ATOM 0 HZ PHE A 120 -0.877 7.581 -3.776 1.00 0.00 H new ATOM 1864 N LYS A 121 1.761 6.933 -9.676 1.00 0.00 N ATOM 1865 CA LYS A 121 3.048 6.323 -9.251 1.00 0.00 C ATOM 1866 C LYS A 121 3.214 6.402 -7.704 1.00 0.00 C ATOM 1867 O LYS A 121 2.836 7.393 -7.069 1.00 0.00 O ATOM 1868 CB LYS A 121 4.224 7.011 -10.003 1.00 0.00 C ATOM 1869 CG LYS A 121 5.370 6.070 -10.435 1.00 0.00 C ATOM 1870 CD LYS A 121 5.070 5.162 -11.653 1.00 0.00 C ATOM 1871 CE LYS A 121 4.888 5.905 -12.993 1.00 0.00 C ATOM 1872 NZ LYS A 121 4.727 4.960 -14.111 1.00 0.00 N ATOM 0 H LYS A 121 1.827 7.926 -9.901 1.00 0.00 H new ATOM 0 HA LYS A 121 3.052 5.265 -9.513 1.00 0.00 H new ATOM 0 HB2 LYS A 121 3.827 7.505 -10.890 1.00 0.00 H new ATOM 0 HB3 LYS A 121 4.637 7.790 -9.362 1.00 0.00 H new ATOM 0 HG2 LYS A 121 6.246 6.676 -10.664 1.00 0.00 H new ATOM 0 HG3 LYS A 121 5.633 5.436 -9.588 1.00 0.00 H new ATOM 0 HD2 LYS A 121 5.883 4.444 -11.761 1.00 0.00 H new ATOM 0 HD3 LYS A 121 4.165 4.590 -11.446 1.00 0.00 H new ATOM 0 HE2 LYS A 121 4.015 6.555 -12.935 1.00 0.00 H new ATOM 0 HE3 LYS A 121 5.751 6.545 -13.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 5.057 5.405 -14.992 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 5.287 4.103 -13.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 3.724 4.704 -14.207 1.00 0.00 H new ATOM 1886 N ARG A 122 3.799 5.343 -7.120 1.00 0.00 N ATOM 1887 CA ARG A 122 4.151 5.301 -5.676 1.00 0.00 C ATOM 1888 C ARG A 122 5.588 4.730 -5.582 1.00 0.00 C ATOM 1889 O ARG A 122 5.777 3.511 -5.544 1.00 0.00 O ATOM 1890 CB ARG A 122 3.155 4.450 -4.837 1.00 0.00 C ATOM 1891 CG ARG A 122 1.732 5.031 -4.664 1.00 0.00 C ATOM 1892 CD ARG A 122 0.976 4.535 -3.413 1.00 0.00 C ATOM 1893 NE ARG A 122 0.704 3.073 -3.400 1.00 0.00 N ATOM 1894 CZ ARG A 122 0.292 2.389 -2.312 1.00 0.00 C ATOM 1895 NH1 ARG A 122 0.037 2.952 -1.132 1.00 0.00 N ATOM 1896 NH2 ARG A 122 0.131 1.084 -2.417 1.00 0.00 N ATOM 0 H ARG A 122 4.044 4.492 -7.626 1.00 0.00 H new ATOM 0 HA ARG A 122 4.094 6.305 -5.256 1.00 0.00 H new ATOM 0 HB2 ARG A 122 3.069 3.468 -5.302 1.00 0.00 H new ATOM 0 HB3 ARG A 122 3.585 4.298 -3.847 1.00 0.00 H new ATOM 0 HG2 ARG A 122 1.802 6.118 -4.622 1.00 0.00 H new ATOM 0 HG3 ARG A 122 1.144 4.784 -5.548 1.00 0.00 H new ATOM 0 HD2 ARG A 122 1.556 4.792 -2.527 1.00 0.00 H new ATOM 0 HD3 ARG A 122 0.029 5.069 -3.340 1.00 0.00 H new ATOM 0 HE ARG A 122 0.837 2.554 -4.268 1.00 0.00 H new ATOM 0 HH11 ARG A 122 0.151 3.959 -1.012 1.00 0.00 H new ATOM 0 HH12 ARG A 122 -0.272 2.377 -0.348 1.00 0.00 H new ATOM 0 HH21 ARG A 122 0.317 0.617 -3.305 1.00 0.00 H new ATOM 0 HH22 ARG A 122 -0.179 0.542 -1.611 1.00 0.00 H new ATOM 1910 N ILE A 123 6.597 5.621 -5.547 1.00 0.00 N ATOM 1911 CA ILE A 123 8.038 5.226 -5.571 1.00 0.00 C ATOM 1912 C ILE A 123 8.478 5.169 -4.081 1.00 0.00 C ATOM 1913 O ILE A 123 8.638 6.213 -3.443 1.00 0.00 O ATOM 1914 CB ILE A 123 8.895 6.210 -6.450 1.00 0.00 C ATOM 1915 CG1 ILE A 123 8.426 6.277 -7.937 1.00 0.00 C ATOM 1916 CG2 ILE A 123 10.408 5.862 -6.402 1.00 0.00 C ATOM 1917 CD1 ILE A 123 8.905 7.507 -8.727 1.00 0.00 C ATOM 0 H ILE A 123 6.449 6.629 -5.502 1.00 0.00 H new ATOM 0 HA ILE A 123 8.193 4.256 -6.044 1.00 0.00 H new ATOM 0 HB ILE A 123 8.738 7.193 -6.007 1.00 0.00 H new ATOM 0 HG12 ILE A 123 8.772 5.380 -8.450 1.00 0.00 H new ATOM 0 HG13 ILE A 123 7.336 6.255 -7.958 1.00 0.00 H new ATOM 0 HG21 ILE A 123 10.963 6.566 -7.022 1.00 0.00 H new ATOM 0 HG22 ILE A 123 10.764 5.926 -5.374 1.00 0.00 H new ATOM 0 HG23 ILE A 123 10.561 4.850 -6.776 1.00 0.00 H new ATOM 0 HD11 ILE A 123 8.524 7.455 -9.747 1.00 0.00 H new ATOM 0 HD12 ILE A 123 8.536 8.414 -8.247 1.00 0.00 H new ATOM 0 HD13 ILE A 123 9.995 7.525 -8.747 1.00 0.00 H new ATOM 1929 N SER A 124 8.628 3.947 -3.539 1.00 0.00 N ATOM 1930 CA SER A 124 8.684 3.724 -2.073 1.00 0.00 C ATOM 1931 C SER A 124 9.907 2.833 -1.724 1.00 0.00 C ATOM 1932 O SER A 124 9.938 1.656 -2.092 1.00 0.00 O ATOM 1933 CB SER A 124 7.365 3.054 -1.612 1.00 0.00 C ATOM 1934 OG SER A 124 6.220 3.834 -1.936 1.00 0.00 O ATOM 0 H SER A 124 8.713 3.094 -4.091 1.00 0.00 H new ATOM 0 HA SER A 124 8.797 4.676 -1.555 1.00 0.00 H new ATOM 0 HB2 SER A 124 7.277 2.073 -2.078 1.00 0.00 H new ATOM 0 HB3 SER A 124 7.399 2.893 -0.534 1.00 0.00 H new ATOM 0 HG SER A 124 5.412 3.372 -1.628 1.00 0.00 H new ATOM 1940 N LYS A 125 10.916 3.384 -1.020 1.00 0.00 N ATOM 1941 CA LYS A 125 12.205 2.682 -0.772 1.00 0.00 C ATOM 1942 C LYS A 125 12.182 1.862 0.547 1.00 0.00 C ATOM 1943 O LYS A 125 11.693 2.324 1.582 1.00 0.00 O ATOM 1944 CB LYS A 125 13.362 3.716 -0.855 1.00 0.00 C ATOM 1945 CG LYS A 125 14.788 3.151 -0.631 1.00 0.00 C ATOM 1946 CD LYS A 125 15.933 3.898 -1.350 1.00 0.00 C ATOM 1947 CE LYS A 125 16.145 5.381 -0.988 1.00 0.00 C ATOM 1948 NZ LYS A 125 16.641 5.587 0.386 1.00 0.00 N ATOM 0 H LYS A 125 10.869 4.316 -0.609 1.00 0.00 H new ATOM 0 HA LYS A 125 12.372 1.933 -1.546 1.00 0.00 H new ATOM 0 HB2 LYS A 125 13.330 4.191 -1.835 1.00 0.00 H new ATOM 0 HB3 LYS A 125 13.180 4.496 -0.116 1.00 0.00 H new ATOM 0 HG2 LYS A 125 14.995 3.154 0.439 1.00 0.00 H new ATOM 0 HG3 LYS A 125 14.800 2.110 -0.955 1.00 0.00 H new ATOM 0 HD2 LYS A 125 16.862 3.365 -1.149 1.00 0.00 H new ATOM 0 HD3 LYS A 125 15.755 3.835 -2.424 1.00 0.00 H new ATOM 0 HE2 LYS A 125 16.853 5.821 -1.691 1.00 0.00 H new ATOM 0 HE3 LYS A 125 15.202 5.915 -1.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 16.761 6.605 0.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 15.956 5.196 1.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 17.556 5.105 0.501 1.00 0.00 H new ATOM 1962 N ARG A 126 12.768 0.647 0.488 1.00 0.00 N ATOM 1963 CA ARG A 126 12.809 -0.303 1.624 1.00 0.00 C ATOM 1964 C ARG A 126 13.666 0.209 2.818 1.00 0.00 C ATOM 1965 O ARG A 126 14.761 0.756 2.646 1.00 0.00 O ATOM 1966 CB ARG A 126 13.311 -1.668 1.081 1.00 0.00 C ATOM 1967 CG ARG A 126 13.051 -2.875 2.008 1.00 0.00 C ATOM 1968 CD ARG A 126 14.255 -3.288 2.879 1.00 0.00 C ATOM 1969 NE ARG A 126 13.914 -4.384 3.819 1.00 0.00 N ATOM 1970 CZ ARG A 126 14.025 -5.701 3.548 1.00 0.00 C ATOM 1971 NH1 ARG A 126 14.470 -6.192 2.393 1.00 0.00 N ATOM 1972 NH2 ARG A 126 13.667 -6.556 4.487 1.00 0.00 N ATOM 0 H ARG A 126 13.228 0.295 -0.351 1.00 0.00 H new ATOM 0 HA ARG A 126 11.806 -0.411 2.038 1.00 0.00 H new ATOM 0 HB2 ARG A 126 12.833 -1.858 0.120 1.00 0.00 H new ATOM 0 HB3 ARG A 126 14.383 -1.596 0.895 1.00 0.00 H new ATOM 0 HG2 ARG A 126 12.211 -2.640 2.661 1.00 0.00 H new ATOM 0 HG3 ARG A 126 12.752 -3.727 1.398 1.00 0.00 H new ATOM 0 HD2 ARG A 126 15.076 -3.605 2.235 1.00 0.00 H new ATOM 0 HD3 ARG A 126 14.607 -2.424 3.443 1.00 0.00 H new ATOM 0 HE ARG A 126 13.569 -4.121 4.742 1.00 0.00 H new ATOM 0 HH11 ARG A 126 14.753 -5.559 1.645 1.00 0.00 H new ATOM 0 HH12 ARG A 126 14.528 -7.201 2.256 1.00 0.00 H new ATOM 0 HH21 ARG A 126 13.320 -6.214 5.383 1.00 0.00 H new ATOM 0 HH22 ARG A 126 13.737 -7.559 4.317 1.00 0.00 H new ATOM 1986 N ILE A 127 13.114 0.013 4.022 1.00 0.00 N ATOM 1987 CA ILE A 127 13.699 0.501 5.296 1.00 0.00 C ATOM 1988 C ILE A 127 13.502 -0.635 6.312 1.00 0.00 C ATOM 1989 O ILE A 127 14.315 -1.556 6.405 1.00 0.00 O ATOM 1990 CB ILE A 127 13.105 1.863 5.807 1.00 0.00 C ATOM 1991 CG1 ILE A 127 11.548 1.912 5.910 1.00 0.00 C ATOM 1992 CG2 ILE A 127 13.646 3.054 4.978 1.00 0.00 C ATOM 1993 CD1 ILE A 127 10.963 3.045 6.762 1.00 0.00 C ATOM 0 H ILE A 127 12.238 -0.494 4.150 1.00 0.00 H new ATOM 0 HA ILE A 127 14.753 0.736 5.146 1.00 0.00 H new ATOM 0 HB ILE A 127 13.455 1.949 6.836 1.00 0.00 H new ATOM 0 HG12 ILE A 127 11.140 1.995 4.903 1.00 0.00 H new ATOM 0 HG13 ILE A 127 11.201 0.962 6.317 1.00 0.00 H new ATOM 0 HG21 ILE A 127 13.218 3.983 5.354 1.00 0.00 H new ATOM 0 HG22 ILE A 127 14.732 3.094 5.064 1.00 0.00 H new ATOM 0 HG23 ILE A 127 13.369 2.924 3.932 1.00 0.00 H new ATOM 0 HD11 ILE A 127 9.875 2.977 6.760 1.00 0.00 H new ATOM 0 HD12 ILE A 127 11.330 2.958 7.785 1.00 0.00 H new ATOM 0 HD13 ILE A 127 11.268 4.006 6.348 1.00 0.00 H new TER 2005 ILE A 127