USER MOD reduce.3.24.130724 H: found=0, std=0, add=524, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 524 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 Single : A 13 THR OG1 : rot -28:sc= 0.0603 USER MOD Single : A 16 THR OG1 : rot -140:sc= -2.02 USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 106:sc= 1.16 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 THR OG1 : rot 72:sc= 1.15 USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 ASN : amide:sc= -3.5 K(o=-3.5,f=-4.8!) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 166:sc=-0.00939 (180deg=-0.229) USER MOD Single : A 40 THR OG1 : rot -160:sc= -1.07 USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ -161:sc= -0.0182 (180deg=-0.176) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot -41:sc= 0.878 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot 78:sc= 0.06 USER MOD Single : A 57 THR OG1 : rot 91:sc= 0.0903 USER MOD Single : A 60 MET CE :methyl 176:sc= -5.25! (180deg=-5.35!) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 70:sc= 1.1 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot -102:sc= 1.23 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0.102 USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 SER OG : rot -29:sc= 0.195 USER MOD Single : A 76 LYS NZ :NH3+ 147:sc= -1.68 (180deg=-3.86!) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 13 100.798 15.036 9.682 1.00 0.00 N ATOM 2 CA THR A 13 99.644 15.744 9.070 1.00 0.00 C ATOM 3 C THR A 13 98.457 15.788 10.024 1.00 0.00 C ATOM 4 O THR A 13 98.020 14.761 10.537 1.00 0.00 O ATOM 5 CB THR A 13 99.255 15.021 7.780 1.00 0.00 C ATOM 6 OG1 THR A 13 99.382 13.618 7.934 1.00 0.00 O ATOM 7 CG2 THR A 13 100.095 15.430 6.589 1.00 0.00 C ATOM 0 HA THR A 13 99.931 16.773 8.853 1.00 0.00 H new ATOM 0 HB THR A 13 98.220 15.305 7.589 1.00 0.00 H new ATOM 0 HG1 THR A 13 100.071 13.423 8.603 1.00 0.00 H new ATOM 0 HG21 THR A 13 99.767 14.880 5.707 1.00 0.00 H new ATOM 0 HG22 THR A 13 99.981 16.500 6.413 1.00 0.00 H new ATOM 0 HG23 THR A 13 101.143 15.205 6.788 1.00 0.00 H new ATOM 15 N PHE A 14 97.938 16.989 10.256 1.00 0.00 N ATOM 16 CA PHE A 14 96.801 17.174 11.152 1.00 0.00 C ATOM 17 C PHE A 14 95.497 16.751 10.480 1.00 0.00 C ATOM 18 O PHE A 14 94.625 16.158 11.115 1.00 0.00 O ATOM 19 CB PHE A 14 96.709 18.637 11.590 1.00 0.00 C ATOM 20 CG PHE A 14 95.959 18.830 12.875 1.00 0.00 C ATOM 21 CD1 PHE A 14 96.585 18.625 14.095 1.00 0.00 C ATOM 22 CD2 PHE A 14 94.626 19.207 12.865 1.00 0.00 C ATOM 23 CE1 PHE A 14 95.894 18.794 15.279 1.00 0.00 C ATOM 24 CE2 PHE A 14 93.930 19.377 14.047 1.00 0.00 C ATOM 25 CZ PHE A 14 94.565 19.170 15.256 1.00 0.00 C ATOM 0 H PHE A 14 98.287 17.850 9.836 1.00 0.00 H new ATOM 0 HA PHE A 14 96.955 16.544 12.028 1.00 0.00 H new ATOM 0 HB2 PHE A 14 97.716 19.039 11.702 1.00 0.00 H new ATOM 0 HB3 PHE A 14 96.222 19.214 10.804 1.00 0.00 H new ATOM 0 HD1 PHE A 14 97.624 18.330 14.120 1.00 0.00 H new ATOM 0 HD2 PHE A 14 94.125 19.370 11.922 1.00 0.00 H new ATOM 0 HE1 PHE A 14 96.393 18.632 16.223 1.00 0.00 H new ATOM 0 HE2 PHE A 14 92.891 19.671 14.025 1.00 0.00 H new ATOM 0 HZ PHE A 14 94.024 19.302 16.181 1.00 0.00 H new ATOM 35 N LEU A 15 95.367 17.064 9.194 1.00 0.00 N ATOM 36 CA LEU A 15 94.163 16.725 8.437 1.00 0.00 C ATOM 37 C LEU A 15 94.333 15.412 7.676 1.00 0.00 C ATOM 38 O LEU A 15 93.486 14.522 7.758 1.00 0.00 O ATOM 39 CB LEU A 15 93.826 17.849 7.456 1.00 0.00 C ATOM 40 CG LEU A 15 93.814 19.255 8.061 1.00 0.00 C ATOM 41 CD1 LEU A 15 94.419 20.261 7.092 1.00 0.00 C ATOM 42 CD2 LEU A 15 92.397 19.661 8.436 1.00 0.00 C ATOM 0 H LEU A 15 96.080 17.552 8.653 1.00 0.00 H new ATOM 0 HA LEU A 15 93.346 16.603 9.148 1.00 0.00 H new ATOM 0 HB2 LEU A 15 94.548 17.827 6.640 1.00 0.00 H new ATOM 0 HB3 LEU A 15 92.847 17.649 7.020 1.00 0.00 H new ATOM 0 HG LEU A 15 94.421 19.244 8.966 1.00 0.00 H new ATOM 0 HD11 LEU A 15 94.401 21.254 7.541 1.00 0.00 H new ATOM 0 HD12 LEU A 15 95.449 19.980 6.872 1.00 0.00 H new ATOM 0 HD13 LEU A 15 93.840 20.270 6.168 1.00 0.00 H new ATOM 0 HD21 LEU A 15 92.407 20.663 8.865 1.00 0.00 H new ATOM 0 HD22 LEU A 15 91.769 19.654 7.545 1.00 0.00 H new ATOM 0 HD23 LEU A 15 91.998 18.958 9.167 1.00 0.00 H new ATOM 54 N THR A 16 95.427 15.302 6.927 1.00 0.00 N ATOM 55 CA THR A 16 95.705 14.103 6.137 1.00 0.00 C ATOM 56 C THR A 16 95.525 12.830 6.961 1.00 0.00 C ATOM 57 O THR A 16 95.191 11.775 6.421 1.00 0.00 O ATOM 58 CB THR A 16 97.126 14.158 5.574 1.00 0.00 C ATOM 59 OG1 THR A 16 97.557 15.500 5.431 1.00 0.00 O ATOM 60 CG2 THR A 16 97.262 13.486 4.225 1.00 0.00 C ATOM 0 H THR A 16 96.138 16.030 6.850 1.00 0.00 H new ATOM 0 HA THR A 16 94.988 14.077 5.316 1.00 0.00 H new ATOM 0 HB THR A 16 97.743 13.619 6.294 1.00 0.00 H new ATOM 0 HG1 THR A 16 98.060 15.595 4.596 1.00 0.00 H new ATOM 0 HG21 THR A 16 98.294 13.561 3.883 1.00 0.00 H new ATOM 0 HG22 THR A 16 96.984 12.436 4.312 1.00 0.00 H new ATOM 0 HG23 THR A 16 96.605 13.976 3.506 1.00 0.00 H new ATOM 68 N GLN A 17 95.750 12.932 8.266 1.00 0.00 N ATOM 69 CA GLN A 17 95.612 11.783 9.154 1.00 0.00 C ATOM 70 C GLN A 17 94.159 11.326 9.244 1.00 0.00 C ATOM 71 O GLN A 17 93.886 10.165 9.544 1.00 0.00 O ATOM 72 CB GLN A 17 96.136 12.123 10.550 1.00 0.00 C ATOM 73 CG GLN A 17 96.879 10.978 11.217 1.00 0.00 C ATOM 74 CD GLN A 17 98.150 11.432 11.910 1.00 0.00 C ATOM 75 OE1 GLN A 17 98.179 11.599 13.129 1.00 0.00 O ATOM 76 NE2 GLN A 17 99.208 11.634 11.134 1.00 0.00 N ATOM 0 H GLN A 17 96.028 13.796 8.732 1.00 0.00 H new ATOM 0 HA GLN A 17 96.203 10.968 8.737 1.00 0.00 H new ATOM 0 HB2 GLN A 17 96.801 12.984 10.480 1.00 0.00 H new ATOM 0 HB3 GLN A 17 95.298 12.418 11.182 1.00 0.00 H new ATOM 0 HG2 GLN A 17 96.224 10.500 11.945 1.00 0.00 H new ATOM 0 HG3 GLN A 17 97.127 10.226 10.468 1.00 0.00 H new ATOM 0 HE21 GLN A 17 99.139 11.483 10.128 1.00 0.00 H new ATOM 0 HE22 GLN A 17 100.090 11.940 11.544 1.00 0.00 H new ATOM 85 N VAL A 18 93.231 12.244 8.986 1.00 0.00 N ATOM 86 CA VAL A 18 91.805 11.933 9.045 1.00 0.00 C ATOM 87 C VAL A 18 91.282 11.449 7.695 1.00 0.00 C ATOM 88 O VAL A 18 90.425 10.568 7.630 1.00 0.00 O ATOM 89 CB VAL A 18 90.986 13.161 9.481 1.00 0.00 C ATOM 90 CG1 VAL A 18 89.537 12.775 9.737 1.00 0.00 C ATOM 91 CG2 VAL A 18 91.601 13.804 10.714 1.00 0.00 C ATOM 0 H VAL A 18 93.441 13.210 8.734 1.00 0.00 H new ATOM 0 HA VAL A 18 91.689 11.137 9.781 1.00 0.00 H new ATOM 0 HB VAL A 18 91.005 13.892 8.672 1.00 0.00 H new ATOM 0 HG11 VAL A 18 88.974 13.657 10.044 1.00 0.00 H new ATOM 0 HG12 VAL A 18 89.102 12.367 8.824 1.00 0.00 H new ATOM 0 HG13 VAL A 18 89.494 12.024 10.526 1.00 0.00 H new ATOM 0 HG21 VAL A 18 91.008 14.670 11.007 1.00 0.00 H new ATOM 0 HG22 VAL A 18 91.617 13.082 11.531 1.00 0.00 H new ATOM 0 HG23 VAL A 18 92.620 14.121 10.489 1.00 0.00 H new ATOM 101 N LYS A 19 91.802 12.033 6.622 1.00 0.00 N ATOM 102 CA LYS A 19 91.389 11.668 5.273 1.00 0.00 C ATOM 103 C LYS A 19 91.755 10.227 4.973 1.00 0.00 C ATOM 104 O LYS A 19 90.889 9.390 4.717 1.00 0.00 O ATOM 105 CB LYS A 19 92.065 12.580 4.257 1.00 0.00 C ATOM 106 CG LYS A 19 91.471 13.977 4.196 1.00 0.00 C ATOM 107 CD LYS A 19 90.197 14.006 3.365 1.00 0.00 C ATOM 108 CE LYS A 19 89.930 15.392 2.802 1.00 0.00 C ATOM 109 NZ LYS A 19 88.482 15.736 2.838 1.00 0.00 N ATOM 0 H LYS A 19 92.513 12.764 6.661 1.00 0.00 H new ATOM 0 HA LYS A 19 90.307 11.781 5.205 1.00 0.00 H new ATOM 0 HB2 LYS A 19 93.125 12.656 4.500 1.00 0.00 H new ATOM 0 HB3 LYS A 19 91.996 12.123 3.270 1.00 0.00 H new ATOM 0 HG2 LYS A 19 91.256 14.326 5.206 1.00 0.00 H new ATOM 0 HG3 LYS A 19 92.201 14.665 3.769 1.00 0.00 H new ATOM 0 HD2 LYS A 19 90.278 13.290 2.547 1.00 0.00 H new ATOM 0 HD3 LYS A 19 89.353 13.693 3.980 1.00 0.00 H new ATOM 0 HE2 LYS A 19 90.493 16.130 3.373 1.00 0.00 H new ATOM 0 HE3 LYS A 19 90.290 15.442 1.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 88.342 16.689 2.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 87.947 15.046 2.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 88.144 15.714 3.821 1.00 0.00 H new ATOM 123 N GLU A 20 93.050 9.945 5.017 1.00 0.00 N ATOM 124 CA GLU A 20 93.547 8.601 4.758 1.00 0.00 C ATOM 125 C GLU A 20 92.891 7.597 5.701 1.00 0.00 C ATOM 126 O GLU A 20 92.867 6.397 5.429 1.00 0.00 O ATOM 127 CB GLU A 20 95.068 8.555 4.919 1.00 0.00 C ATOM 128 CG GLU A 20 95.824 8.863 3.636 1.00 0.00 C ATOM 129 CD GLU A 20 95.858 7.686 2.681 1.00 0.00 C ATOM 130 OE1 GLU A 20 94.868 6.926 2.641 1.00 0.00 O ATOM 131 OE2 GLU A 20 96.873 7.526 1.973 1.00 0.00 O ATOM 0 H GLU A 20 93.776 10.630 5.230 1.00 0.00 H new ATOM 0 HA GLU A 20 93.293 8.334 3.732 1.00 0.00 H new ATOM 0 HB2 GLU A 20 95.366 9.269 5.687 1.00 0.00 H new ATOM 0 HB3 GLU A 20 95.358 7.566 5.274 1.00 0.00 H new ATOM 0 HG2 GLU A 20 95.358 9.715 3.140 1.00 0.00 H new ATOM 0 HG3 GLU A 20 96.845 9.156 3.882 1.00 0.00 H new ATOM 138 N SER A 21 92.359 8.100 6.812 1.00 0.00 N ATOM 139 CA SER A 21 91.702 7.258 7.795 1.00 0.00 C ATOM 140 C SER A 21 90.295 6.883 7.343 1.00 0.00 C ATOM 141 O SER A 21 89.964 5.702 7.227 1.00 0.00 O ATOM 142 CB SER A 21 91.647 7.999 9.124 1.00 0.00 C ATOM 143 OG SER A 21 92.182 7.213 10.175 1.00 0.00 O ATOM 0 H SER A 21 92.373 9.092 7.050 1.00 0.00 H new ATOM 0 HA SER A 21 92.271 6.335 7.908 1.00 0.00 H new ATOM 0 HB2 SER A 21 92.204 8.933 9.045 1.00 0.00 H new ATOM 0 HB3 SER A 21 90.614 8.262 9.353 1.00 0.00 H new ATOM 0 HG SER A 21 92.135 7.715 11.015 1.00 0.00 H new ATOM 149 N LEU A 22 89.471 7.894 7.091 1.00 0.00 N ATOM 150 CA LEU A 22 88.102 7.670 6.651 1.00 0.00 C ATOM 151 C LEU A 22 88.085 6.952 5.309 1.00 0.00 C ATOM 152 O LEU A 22 87.199 6.141 5.036 1.00 0.00 O ATOM 153 CB LEU A 22 87.352 8.999 6.545 1.00 0.00 C ATOM 154 CG LEU A 22 85.874 8.941 6.939 1.00 0.00 C ATOM 155 CD1 LEU A 22 85.728 8.623 8.419 1.00 0.00 C ATOM 156 CD2 LEU A 22 85.183 10.254 6.603 1.00 0.00 C ATOM 0 H LEU A 22 89.729 8.876 7.184 1.00 0.00 H new ATOM 0 HA LEU A 22 87.602 7.043 7.389 1.00 0.00 H new ATOM 0 HB2 LEU A 22 87.852 9.733 7.177 1.00 0.00 H new ATOM 0 HB3 LEU A 22 87.425 9.359 5.519 1.00 0.00 H new ATOM 0 HG LEU A 22 85.396 8.144 6.369 1.00 0.00 H new ATOM 0 HD11 LEU A 22 84.671 8.586 8.681 1.00 0.00 H new ATOM 0 HD12 LEU A 22 86.188 7.658 8.631 1.00 0.00 H new ATOM 0 HD13 LEU A 22 86.220 9.397 9.008 1.00 0.00 H new ATOM 0 HD21 LEU A 22 84.133 10.196 6.889 1.00 0.00 H new ATOM 0 HD22 LEU A 22 85.663 11.067 7.147 1.00 0.00 H new ATOM 0 HD23 LEU A 22 85.257 10.440 5.532 1.00 0.00 H new ATOM 168 N SER A 23 89.074 7.253 4.475 1.00 0.00 N ATOM 169 CA SER A 23 89.178 6.635 3.159 1.00 0.00 C ATOM 170 C SER A 23 89.509 5.156 3.282 1.00 0.00 C ATOM 171 O SER A 23 89.045 4.337 2.488 1.00 0.00 O ATOM 172 CB SER A 23 90.241 7.343 2.319 1.00 0.00 C ATOM 173 OG SER A 23 89.671 8.383 1.543 1.00 0.00 O ATOM 0 H SER A 23 89.815 7.921 4.687 1.00 0.00 H new ATOM 0 HA SER A 23 88.213 6.733 2.661 1.00 0.00 H new ATOM 0 HB2 SER A 23 91.011 7.753 2.972 1.00 0.00 H new ATOM 0 HB3 SER A 23 90.730 6.622 1.663 1.00 0.00 H new ATOM 0 HG SER A 23 90.372 8.821 1.017 1.00 0.00 H new ATOM 178 N SER A 24 90.309 4.816 4.285 1.00 0.00 N ATOM 179 CA SER A 24 90.692 3.430 4.509 1.00 0.00 C ATOM 180 C SER A 24 89.477 2.595 4.888 1.00 0.00 C ATOM 181 O SER A 24 89.380 1.424 4.524 1.00 0.00 O ATOM 182 CB SER A 24 91.745 3.332 5.607 1.00 0.00 C ATOM 183 OG SER A 24 92.964 3.931 5.204 1.00 0.00 O ATOM 0 H SER A 24 90.703 5.479 4.953 1.00 0.00 H new ATOM 0 HA SER A 24 91.114 3.044 3.581 1.00 0.00 H new ATOM 0 HB2 SER A 24 91.379 3.820 6.510 1.00 0.00 H new ATOM 0 HB3 SER A 24 91.917 2.285 5.857 1.00 0.00 H new ATOM 0 HG SER A 24 93.073 4.791 5.661 1.00 0.00 H new ATOM 189 N TYR A 25 88.543 3.210 5.611 1.00 0.00 N ATOM 190 CA TYR A 25 87.332 2.532 6.024 1.00 0.00 C ATOM 191 C TYR A 25 86.635 1.935 4.810 1.00 0.00 C ATOM 192 O TYR A 25 86.134 0.812 4.851 1.00 0.00 O ATOM 193 CB TYR A 25 86.427 3.532 6.728 1.00 0.00 C ATOM 194 CG TYR A 25 85.786 2.997 7.988 1.00 0.00 C ATOM 195 CD1 TYR A 25 84.625 2.236 7.931 1.00 0.00 C ATOM 196 CD2 TYR A 25 86.344 3.251 9.235 1.00 0.00 C ATOM 197 CE1 TYR A 25 84.037 1.745 9.080 1.00 0.00 C ATOM 198 CE2 TYR A 25 85.762 2.762 10.389 1.00 0.00 C ATOM 199 CZ TYR A 25 84.609 2.010 10.307 1.00 0.00 C ATOM 200 OH TYR A 25 84.027 1.521 11.454 1.00 0.00 O ATOM 0 H TYR A 25 88.609 4.180 5.920 1.00 0.00 H new ATOM 0 HA TYR A 25 87.572 1.720 6.711 1.00 0.00 H new ATOM 0 HB2 TYR A 25 87.008 4.420 6.977 1.00 0.00 H new ATOM 0 HB3 TYR A 25 85.643 3.846 6.039 1.00 0.00 H new ATOM 0 HD1 TYR A 25 84.175 2.025 6.972 1.00 0.00 H new ATOM 0 HD2 TYR A 25 87.247 3.840 9.303 1.00 0.00 H new ATOM 0 HE1 TYR A 25 83.134 1.156 9.018 1.00 0.00 H new ATOM 0 HE2 TYR A 25 86.208 2.968 11.351 1.00 0.00 H new ATOM 0 HH TYR A 25 84.555 1.797 12.232 1.00 0.00 H new ATOM 210 N TRP A 26 86.636 2.698 3.722 1.00 0.00 N ATOM 211 CA TRP A 26 86.030 2.261 2.473 1.00 0.00 C ATOM 212 C TRP A 26 87.067 1.578 1.586 1.00 0.00 C ATOM 213 O TRP A 26 86.719 0.815 0.685 1.00 0.00 O ATOM 214 CB TRP A 26 85.414 3.453 1.735 1.00 0.00 C ATOM 215 CG TRP A 26 84.575 3.052 0.561 1.00 0.00 C ATOM 216 CD1 TRP A 26 83.292 2.585 0.593 1.00 0.00 C ATOM 217 CD2 TRP A 26 84.961 3.071 -0.817 1.00 0.00 C ATOM 218 NE1 TRP A 26 82.859 2.312 -0.682 1.00 0.00 N ATOM 219 CE2 TRP A 26 83.865 2.603 -1.565 1.00 0.00 C ATOM 220 CE3 TRP A 26 86.130 3.439 -1.492 1.00 0.00 C ATOM 221 CZ2 TRP A 26 83.903 2.494 -2.954 1.00 0.00 C ATOM 222 CZ3 TRP A 26 86.165 3.332 -2.870 1.00 0.00 C ATOM 223 CH2 TRP A 26 85.058 2.862 -3.587 1.00 0.00 C ATOM 0 H TRP A 26 87.053 3.628 3.682 1.00 0.00 H new ATOM 0 HA TRP A 26 85.242 1.544 2.706 1.00 0.00 H new ATOM 0 HB2 TRP A 26 84.802 4.026 2.432 1.00 0.00 H new ATOM 0 HB3 TRP A 26 86.212 4.113 1.394 1.00 0.00 H new ATOM 0 HD1 TRP A 26 82.704 2.450 1.489 1.00 0.00 H new ATOM 0 HE1 TRP A 26 81.938 1.951 -0.931 1.00 0.00 H new ATOM 0 HE3 TRP A 26 86.989 3.800 -0.947 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 83.051 2.132 -3.510 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 87.061 3.616 -3.402 1.00 0.00 H new ATOM 0 HH2 TRP A 26 85.118 2.789 -4.663 1.00 0.00 H new ATOM 234 N GLU A 27 88.344 1.850 1.852 1.00 0.00 N ATOM 235 CA GLU A 27 89.424 1.250 1.074 1.00 0.00 C ATOM 236 C GLU A 27 89.593 -0.222 1.430 1.00 0.00 C ATOM 237 O GLU A 27 89.886 -1.049 0.566 1.00 0.00 O ATOM 238 CB GLU A 27 90.736 1.999 1.315 1.00 0.00 C ATOM 239 CG GLU A 27 91.735 1.856 0.177 1.00 0.00 C ATOM 240 CD GLU A 27 93.143 2.240 0.587 1.00 0.00 C ATOM 241 OE1 GLU A 27 93.318 3.341 1.151 1.00 0.00 O ATOM 242 OE2 GLU A 27 94.071 1.441 0.344 1.00 0.00 O ATOM 0 H GLU A 27 88.653 2.477 2.595 1.00 0.00 H new ATOM 0 HA GLU A 27 89.163 1.325 0.018 1.00 0.00 H new ATOM 0 HB2 GLU A 27 90.519 3.056 1.466 1.00 0.00 H new ATOM 0 HB3 GLU A 27 91.191 1.632 2.235 1.00 0.00 H new ATOM 0 HG2 GLU A 27 91.732 0.825 -0.177 1.00 0.00 H new ATOM 0 HG3 GLU A 27 91.420 2.481 -0.659 1.00 0.00 H new ATOM 249 N SER A 28 89.402 -0.545 2.705 1.00 0.00 N ATOM 250 CA SER A 28 89.531 -1.920 3.166 1.00 0.00 C ATOM 251 C SER A 28 88.455 -2.795 2.537 1.00 0.00 C ATOM 252 O SER A 28 88.712 -3.938 2.161 1.00 0.00 O ATOM 253 CB SER A 28 89.444 -1.982 4.691 1.00 0.00 C ATOM 254 OG SER A 28 88.820 -3.178 5.129 1.00 0.00 O ATOM 0 H SER A 28 89.158 0.125 3.434 1.00 0.00 H new ATOM 0 HA SER A 28 90.507 -2.297 2.859 1.00 0.00 H new ATOM 0 HB2 SER A 28 90.445 -1.916 5.116 1.00 0.00 H new ATOM 0 HB3 SER A 28 88.884 -1.122 5.060 1.00 0.00 H new ATOM 0 HG SER A 28 88.782 -3.187 6.108 1.00 0.00 H new ATOM 260 N ALA A 29 87.254 -2.242 2.407 1.00 0.00 N ATOM 261 CA ALA A 29 86.152 -2.971 1.800 1.00 0.00 C ATOM 262 C ALA A 29 86.485 -3.277 0.350 1.00 0.00 C ATOM 263 O ALA A 29 86.114 -4.323 -0.183 1.00 0.00 O ATOM 264 CB ALA A 29 84.862 -2.174 1.901 1.00 0.00 C ATOM 0 H ALA A 29 87.022 -1.297 2.712 1.00 0.00 H new ATOM 0 HA ALA A 29 86.006 -3.909 2.336 1.00 0.00 H new ATOM 0 HB1 ALA A 29 84.050 -2.737 1.441 1.00 0.00 H new ATOM 0 HB2 ALA A 29 84.628 -1.991 2.950 1.00 0.00 H new ATOM 0 HB3 ALA A 29 84.981 -1.222 1.385 1.00 0.00 H new ATOM 270 N LYS A 30 87.213 -2.357 -0.275 1.00 0.00 N ATOM 271 CA LYS A 30 87.630 -2.520 -1.660 1.00 0.00 C ATOM 272 C LYS A 30 88.906 -3.353 -1.734 1.00 0.00 C ATOM 273 O LYS A 30 89.213 -3.946 -2.768 1.00 0.00 O ATOM 274 CB LYS A 30 87.855 -1.154 -2.313 1.00 0.00 C ATOM 275 CG LYS A 30 86.666 -0.662 -3.120 1.00 0.00 C ATOM 276 CD LYS A 30 86.848 -0.941 -4.603 1.00 0.00 C ATOM 277 CE LYS A 30 85.536 -1.341 -5.260 1.00 0.00 C ATOM 278 NZ LYS A 30 84.841 -0.174 -5.870 1.00 0.00 N ATOM 0 H LYS A 30 87.526 -1.489 0.159 1.00 0.00 H new ATOM 0 HA LYS A 30 86.839 -3.040 -2.201 1.00 0.00 H new ATOM 0 HB2 LYS A 30 88.084 -0.423 -1.537 1.00 0.00 H new ATOM 0 HB3 LYS A 30 88.727 -1.211 -2.965 1.00 0.00 H new ATOM 0 HG2 LYS A 30 85.757 -1.149 -2.766 1.00 0.00 H new ATOM 0 HG3 LYS A 30 86.536 0.409 -2.963 1.00 0.00 H new ATOM 0 HD2 LYS A 30 87.247 -0.054 -5.095 1.00 0.00 H new ATOM 0 HD3 LYS A 30 87.581 -1.737 -4.737 1.00 0.00 H new ATOM 0 HE2 LYS A 30 85.728 -2.091 -6.028 1.00 0.00 H new ATOM 0 HE3 LYS A 30 84.885 -1.804 -4.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 83.952 -0.489 -6.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 84.634 0.531 -5.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 85.451 0.253 -6.596 1.00 0.00 H new ATOM 292 N THR A 31 89.646 -3.397 -0.627 1.00 0.00 N ATOM 293 CA THR A 31 90.883 -4.159 -0.562 1.00 0.00 C ATOM 294 C THR A 31 90.587 -5.649 -0.444 1.00 0.00 C ATOM 295 O THR A 31 91.151 -6.464 -1.175 1.00 0.00 O ATOM 296 CB THR A 31 91.715 -3.693 0.631 1.00 0.00 C ATOM 297 OG1 THR A 31 92.264 -2.409 0.391 1.00 0.00 O ATOM 298 CG2 THR A 31 92.856 -4.623 0.971 1.00 0.00 C ATOM 0 H THR A 31 89.406 -2.911 0.237 1.00 0.00 H new ATOM 0 HA THR A 31 91.447 -3.991 -1.480 1.00 0.00 H new ATOM 0 HB THR A 31 91.022 -3.676 1.472 1.00 0.00 H new ATOM 0 HG1 THR A 31 91.551 -1.737 0.425 1.00 0.00 H new ATOM 0 HG21 THR A 31 93.403 -4.229 1.828 1.00 0.00 H new ATOM 0 HG22 THR A 31 92.461 -5.609 1.215 1.00 0.00 H new ATOM 0 HG23 THR A 31 93.528 -4.702 0.116 1.00 0.00 H new ATOM 306 N ALA A 32 89.697 -6.000 0.480 1.00 0.00 N ATOM 307 CA ALA A 32 89.323 -7.393 0.685 1.00 0.00 C ATOM 308 C ALA A 32 88.776 -7.992 -0.603 1.00 0.00 C ATOM 309 O ALA A 32 88.807 -9.206 -0.800 1.00 0.00 O ATOM 310 CB ALA A 32 88.300 -7.509 1.805 1.00 0.00 C ATOM 0 H ALA A 32 89.223 -5.340 1.096 1.00 0.00 H new ATOM 0 HA ALA A 32 90.213 -7.952 0.973 1.00 0.00 H new ATOM 0 HB1 ALA A 32 88.031 -8.556 1.945 1.00 0.00 H new ATOM 0 HB2 ALA A 32 88.726 -7.117 2.729 1.00 0.00 H new ATOM 0 HB3 ALA A 32 87.409 -6.938 1.545 1.00 0.00 H new ATOM 316 N ALA A 33 88.288 -7.124 -1.481 1.00 0.00 N ATOM 317 CA ALA A 33 87.744 -7.556 -2.761 1.00 0.00 C ATOM 318 C ALA A 33 88.843 -7.634 -3.812 1.00 0.00 C ATOM 319 O ALA A 33 88.758 -8.416 -4.759 1.00 0.00 O ATOM 320 CB ALA A 33 86.641 -6.609 -3.213 1.00 0.00 C ATOM 0 H ALA A 33 88.258 -6.116 -1.329 1.00 0.00 H new ATOM 0 HA ALA A 33 87.318 -8.552 -2.637 1.00 0.00 H new ATOM 0 HB1 ALA A 33 86.244 -6.944 -4.171 1.00 0.00 H new ATOM 0 HB2 ALA A 33 85.842 -6.601 -2.472 1.00 0.00 H new ATOM 0 HB3 ALA A 33 87.047 -5.603 -3.320 1.00 0.00 H new ATOM 326 N GLN A 34 89.881 -6.820 -3.635 1.00 0.00 N ATOM 327 CA GLN A 34 91.004 -6.798 -4.566 1.00 0.00 C ATOM 328 C GLN A 34 91.950 -7.964 -4.298 1.00 0.00 C ATOM 329 O GLN A 34 92.530 -8.532 -5.222 1.00 0.00 O ATOM 330 CB GLN A 34 91.759 -5.472 -4.450 1.00 0.00 C ATOM 331 CG GLN A 34 92.027 -4.805 -5.790 1.00 0.00 C ATOM 332 CD GLN A 34 91.395 -3.431 -5.895 1.00 0.00 C ATOM 333 OE1 GLN A 34 92.080 -2.411 -5.801 1.00 0.00 O ATOM 334 NE2 GLN A 34 90.082 -3.397 -6.088 1.00 0.00 N ATOM 0 H GLN A 34 89.967 -6.168 -2.856 1.00 0.00 H new ATOM 0 HA GLN A 34 90.613 -6.897 -5.579 1.00 0.00 H new ATOM 0 HB2 GLN A 34 91.185 -4.790 -3.823 1.00 0.00 H new ATOM 0 HB3 GLN A 34 92.709 -5.647 -3.944 1.00 0.00 H new ATOM 0 HG2 GLN A 34 93.103 -4.718 -5.939 1.00 0.00 H new ATOM 0 HG3 GLN A 34 91.644 -5.439 -6.590 1.00 0.00 H new ATOM 0 HE21 GLN A 34 89.554 -4.267 -6.160 1.00 0.00 H new ATOM 0 HE22 GLN A 34 89.601 -2.501 -6.164 1.00 0.00 H new ATOM 343 N ASN A 35 92.102 -8.313 -3.024 1.00 0.00 N ATOM 344 CA ASN A 35 92.972 -9.401 -2.619 1.00 0.00 C ATOM 345 C ASN A 35 92.632 -10.693 -3.356 1.00 0.00 C ATOM 346 O ASN A 35 93.470 -11.260 -4.054 1.00 0.00 O ATOM 347 CB ASN A 35 92.842 -9.602 -1.113 1.00 0.00 C ATOM 348 CG ASN A 35 94.182 -9.792 -0.430 1.00 0.00 C ATOM 349 OD1 ASN A 35 94.792 -10.857 -0.519 1.00 0.00 O ATOM 350 ND2 ASN A 35 94.646 -8.756 0.260 1.00 0.00 N ATOM 0 H ASN A 35 91.626 -7.849 -2.250 1.00 0.00 H new ATOM 0 HA ASN A 35 94.000 -9.142 -2.874 1.00 0.00 H new ATOM 0 HB2 ASN A 35 92.336 -8.740 -0.678 1.00 0.00 H new ATOM 0 HB3 ASN A 35 92.214 -10.471 -0.920 1.00 0.00 H new ATOM 0 HD21 ASN A 35 95.542 -8.825 0.743 1.00 0.00 H new ATOM 0 HD22 ASN A 35 94.106 -7.892 0.307 1.00 0.00 H new ATOM 357 N LEU A 36 91.398 -11.156 -3.195 1.00 0.00 N ATOM 358 CA LEU A 36 90.947 -12.374 -3.836 1.00 0.00 C ATOM 359 C LEU A 36 90.932 -12.231 -5.356 1.00 0.00 C ATOM 360 O LEU A 36 91.071 -13.213 -6.084 1.00 0.00 O ATOM 361 CB LEU A 36 89.552 -12.698 -3.322 1.00 0.00 C ATOM 362 CG LEU A 36 89.351 -14.136 -2.835 1.00 0.00 C ATOM 363 CD1 LEU A 36 88.819 -14.151 -1.410 1.00 0.00 C ATOM 364 CD2 LEU A 36 88.410 -14.890 -3.763 1.00 0.00 C ATOM 0 H LEU A 36 90.691 -10.698 -2.620 1.00 0.00 H new ATOM 0 HA LEU A 36 91.637 -13.183 -3.595 1.00 0.00 H new ATOM 0 HB2 LEU A 36 89.318 -12.018 -2.503 1.00 0.00 H new ATOM 0 HB3 LEU A 36 88.834 -12.498 -4.117 1.00 0.00 H new ATOM 0 HG LEU A 36 90.319 -14.637 -2.845 1.00 0.00 H new ATOM 0 HD11 LEU A 36 88.683 -15.182 -1.083 1.00 0.00 H new ATOM 0 HD12 LEU A 36 89.530 -13.652 -0.751 1.00 0.00 H new ATOM 0 HD13 LEU A 36 87.862 -13.630 -1.373 1.00 0.00 H new ATOM 0 HD21 LEU A 36 88.280 -15.909 -3.400 1.00 0.00 H new ATOM 0 HD22 LEU A 36 87.443 -14.388 -3.787 1.00 0.00 H new ATOM 0 HD23 LEU A 36 88.832 -14.914 -4.768 1.00 0.00 H new ATOM 376 N TYR A 37 90.750 -11.001 -5.827 1.00 0.00 N ATOM 377 CA TYR A 37 90.698 -10.726 -7.261 1.00 0.00 C ATOM 378 C TYR A 37 92.072 -10.382 -7.834 1.00 0.00 C ATOM 379 O TYR A 37 92.206 -10.163 -9.039 1.00 0.00 O ATOM 380 CB TYR A 37 89.730 -9.576 -7.534 1.00 0.00 C ATOM 381 CG TYR A 37 88.928 -9.752 -8.802 1.00 0.00 C ATOM 382 CD1 TYR A 37 89.460 -9.404 -10.036 1.00 0.00 C ATOM 383 CD2 TYR A 37 87.641 -10.275 -8.765 1.00 0.00 C ATOM 384 CE1 TYR A 37 88.733 -9.570 -11.199 1.00 0.00 C ATOM 385 CE2 TYR A 37 86.907 -10.444 -9.924 1.00 0.00 C ATOM 386 CZ TYR A 37 87.457 -10.090 -11.138 1.00 0.00 C ATOM 387 OH TYR A 37 86.729 -10.258 -12.294 1.00 0.00 O ATOM 0 H TYR A 37 90.636 -10.177 -5.236 1.00 0.00 H new ATOM 0 HA TYR A 37 90.351 -11.635 -7.753 1.00 0.00 H new ATOM 0 HB2 TYR A 37 89.046 -9.480 -6.691 1.00 0.00 H new ATOM 0 HB3 TYR A 37 90.293 -8.645 -7.596 1.00 0.00 H new ATOM 0 HD1 TYR A 37 90.459 -8.997 -10.088 1.00 0.00 H new ATOM 0 HD2 TYR A 37 87.208 -10.554 -7.816 1.00 0.00 H new ATOM 0 HE1 TYR A 37 89.162 -9.294 -12.151 1.00 0.00 H new ATOM 0 HE2 TYR A 37 85.908 -10.851 -9.879 1.00 0.00 H new ATOM 0 HH TYR A 37 85.851 -10.636 -12.076 1.00 0.00 H new ATOM 397 N GLU A 38 93.089 -10.325 -6.981 1.00 0.00 N ATOM 398 CA GLU A 38 94.439 -9.998 -7.440 1.00 0.00 C ATOM 399 C GLU A 38 95.508 -10.667 -6.584 1.00 0.00 C ATOM 400 O GLU A 38 96.336 -11.425 -7.091 1.00 0.00 O ATOM 401 CB GLU A 38 94.649 -8.483 -7.439 1.00 0.00 C ATOM 402 CG GLU A 38 94.036 -7.783 -8.642 1.00 0.00 C ATOM 403 CD GLU A 38 94.684 -8.197 -9.948 1.00 0.00 C ATOM 404 OE1 GLU A 38 95.916 -8.401 -9.961 1.00 0.00 O ATOM 405 OE2 GLU A 38 93.960 -8.316 -10.959 1.00 0.00 O ATOM 0 H GLU A 38 93.009 -10.498 -5.979 1.00 0.00 H new ATOM 0 HA GLU A 38 94.537 -10.379 -8.457 1.00 0.00 H new ATOM 0 HB2 GLU A 38 94.219 -8.066 -6.528 1.00 0.00 H new ATOM 0 HB3 GLU A 38 95.718 -8.273 -7.413 1.00 0.00 H new ATOM 0 HG2 GLU A 38 92.970 -8.005 -8.683 1.00 0.00 H new ATOM 0 HG3 GLU A 38 94.132 -6.704 -8.518 1.00 0.00 H new ATOM 412 N LYS A 39 95.495 -10.378 -5.290 1.00 0.00 N ATOM 413 CA LYS A 39 96.475 -10.948 -4.370 1.00 0.00 C ATOM 414 C LYS A 39 96.476 -12.472 -4.438 1.00 0.00 C ATOM 415 O LYS A 39 97.533 -13.099 -4.506 1.00 0.00 O ATOM 416 CB LYS A 39 96.192 -10.490 -2.937 1.00 0.00 C ATOM 417 CG LYS A 39 96.460 -9.012 -2.706 1.00 0.00 C ATOM 418 CD LYS A 39 97.948 -8.703 -2.748 1.00 0.00 C ATOM 419 CE LYS A 39 98.205 -7.208 -2.833 1.00 0.00 C ATOM 420 NZ LYS A 39 97.392 -6.446 -1.844 1.00 0.00 N ATOM 0 H LYS A 39 94.818 -9.753 -4.852 1.00 0.00 H new ATOM 0 HA LYS A 39 97.460 -10.592 -4.671 1.00 0.00 H new ATOM 0 HB2 LYS A 39 95.151 -10.704 -2.695 1.00 0.00 H new ATOM 0 HB3 LYS A 39 96.805 -11.073 -2.250 1.00 0.00 H new ATOM 0 HG2 LYS A 39 95.944 -8.424 -3.465 1.00 0.00 H new ATOM 0 HG3 LYS A 39 96.052 -8.714 -1.740 1.00 0.00 H new ATOM 0 HD2 LYS A 39 98.429 -9.106 -1.857 1.00 0.00 H new ATOM 0 HD3 LYS A 39 98.400 -9.200 -3.606 1.00 0.00 H new ATOM 0 HE2 LYS A 39 99.263 -7.011 -2.661 1.00 0.00 H new ATOM 0 HE3 LYS A 39 97.975 -6.857 -3.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 97.760 -5.476 -1.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 96.401 -6.416 -2.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 97.447 -6.913 -0.916 1.00 0.00 H new ATOM 434 N THR A 40 95.287 -13.062 -4.417 1.00 0.00 N ATOM 435 CA THR A 40 95.151 -14.509 -4.475 1.00 0.00 C ATOM 436 C THR A 40 95.284 -15.011 -5.908 1.00 0.00 C ATOM 437 O THR A 40 95.786 -16.110 -6.147 1.00 0.00 O ATOM 438 CB THR A 40 93.804 -14.931 -3.894 1.00 0.00 C ATOM 439 OG1 THR A 40 93.469 -14.132 -2.773 1.00 0.00 O ATOM 440 CG2 THR A 40 93.774 -16.374 -3.454 1.00 0.00 C ATOM 0 H THR A 40 94.402 -12.558 -4.360 1.00 0.00 H new ATOM 0 HA THR A 40 95.951 -14.953 -3.882 1.00 0.00 H new ATOM 0 HB THR A 40 93.084 -14.798 -4.701 1.00 0.00 H new ATOM 0 HG1 THR A 40 92.795 -14.594 -2.232 1.00 0.00 H new ATOM 0 HG21 THR A 40 92.790 -16.611 -3.051 1.00 0.00 H new ATOM 0 HG22 THR A 40 93.981 -17.019 -4.308 1.00 0.00 H new ATOM 0 HG23 THR A 40 94.530 -16.536 -2.685 1.00 0.00 H new ATOM 448 N TYR A 41 94.831 -14.201 -6.859 1.00 0.00 N ATOM 449 CA TYR A 41 94.899 -14.561 -8.270 1.00 0.00 C ATOM 450 C TYR A 41 96.334 -14.864 -8.689 1.00 0.00 C ATOM 451 O TYR A 41 96.571 -15.649 -9.607 1.00 0.00 O ATOM 452 CB TYR A 41 94.329 -13.428 -9.122 1.00 0.00 C ATOM 453 CG TYR A 41 93.408 -13.901 -10.226 1.00 0.00 C ATOM 454 CD1 TYR A 41 92.457 -14.886 -9.988 1.00 0.00 C ATOM 455 CD2 TYR A 41 93.490 -13.361 -11.503 1.00 0.00 C ATOM 456 CE1 TYR A 41 91.614 -15.320 -10.994 1.00 0.00 C ATOM 457 CE2 TYR A 41 92.649 -13.789 -12.513 1.00 0.00 C ATOM 458 CZ TYR A 41 91.715 -14.768 -12.254 1.00 0.00 C ATOM 459 OH TYR A 41 90.877 -15.198 -13.258 1.00 0.00 O ATOM 0 H TYR A 41 94.412 -13.289 -6.677 1.00 0.00 H new ATOM 0 HA TYR A 41 94.305 -15.462 -8.425 1.00 0.00 H new ATOM 0 HB2 TYR A 41 93.784 -12.739 -8.477 1.00 0.00 H new ATOM 0 HB3 TYR A 41 95.153 -12.867 -9.564 1.00 0.00 H new ATOM 0 HD1 TYR A 41 92.375 -15.319 -9.002 1.00 0.00 H new ATOM 0 HD2 TYR A 41 94.222 -12.595 -11.710 1.00 0.00 H new ATOM 0 HE1 TYR A 41 90.880 -16.087 -10.794 1.00 0.00 H new ATOM 0 HE2 TYR A 41 92.724 -13.358 -13.500 1.00 0.00 H new ATOM 0 HH TYR A 41 91.077 -14.708 -14.083 1.00 0.00 H new ATOM 469 N LEU A 42 97.290 -14.236 -8.010 1.00 0.00 N ATOM 470 CA LEU A 42 98.702 -14.439 -8.310 1.00 0.00 C ATOM 471 C LEU A 42 99.460 -14.891 -7.061 1.00 0.00 C ATOM 472 O LEU A 42 99.368 -14.255 -6.011 1.00 0.00 O ATOM 473 CB LEU A 42 99.319 -13.152 -8.859 1.00 0.00 C ATOM 474 CG LEU A 42 98.409 -12.341 -9.789 1.00 0.00 C ATOM 475 CD1 LEU A 42 98.094 -10.982 -9.181 1.00 0.00 C ATOM 476 CD2 LEU A 42 99.054 -12.176 -11.159 1.00 0.00 C ATOM 0 H LEU A 42 97.111 -13.582 -7.248 1.00 0.00 H new ATOM 0 HA LEU A 42 98.781 -15.220 -9.066 1.00 0.00 H new ATOM 0 HB2 LEU A 42 99.611 -12.520 -8.020 1.00 0.00 H new ATOM 0 HB3 LEU A 42 100.231 -13.406 -9.399 1.00 0.00 H new ATOM 0 HG LEU A 42 97.473 -12.887 -9.912 1.00 0.00 H new ATOM 0 HD11 LEU A 42 97.447 -10.422 -9.857 1.00 0.00 H new ATOM 0 HD12 LEU A 42 97.588 -11.119 -8.225 1.00 0.00 H new ATOM 0 HD13 LEU A 42 99.021 -10.430 -9.025 1.00 0.00 H new ATOM 0 HD21 LEU A 42 98.393 -11.598 -11.805 1.00 0.00 H new ATOM 0 HD22 LEU A 42 100.005 -11.654 -11.053 1.00 0.00 H new ATOM 0 HD23 LEU A 42 99.226 -13.157 -11.601 1.00 0.00 H new ATOM 488 N PRO A 43 100.217 -16.000 -7.154 1.00 0.00 N ATOM 489 CA PRO A 43 100.983 -16.528 -6.018 1.00 0.00 C ATOM 490 C PRO A 43 102.156 -15.632 -5.633 1.00 0.00 C ATOM 491 O PRO A 43 103.280 -15.829 -6.096 1.00 0.00 O ATOM 492 CB PRO A 43 101.488 -17.880 -6.527 1.00 0.00 C ATOM 493 CG PRO A 43 101.522 -17.741 -8.008 1.00 0.00 C ATOM 494 CD PRO A 43 100.384 -16.827 -8.364 1.00 0.00 C ATOM 0 HA PRO A 43 100.374 -16.595 -5.117 1.00 0.00 H new ATOM 0 HB2 PRO A 43 102.477 -18.108 -6.129 1.00 0.00 H new ATOM 0 HB3 PRO A 43 100.826 -18.690 -6.221 1.00 0.00 H new ATOM 0 HG2 PRO A 43 102.474 -17.326 -8.339 1.00 0.00 H new ATOM 0 HG3 PRO A 43 101.411 -18.710 -8.494 1.00 0.00 H new ATOM 0 HD2 PRO A 43 100.616 -16.218 -9.238 1.00 0.00 H new ATOM 0 HD3 PRO A 43 99.478 -17.386 -8.597 1.00 0.00 H new ATOM 502 N ALA A 44 101.888 -14.651 -4.776 1.00 0.00 N ATOM 503 CA ALA A 44 102.919 -13.727 -4.320 1.00 0.00 C ATOM 504 C ALA A 44 103.588 -13.014 -5.492 1.00 0.00 C ATOM 505 O ALA A 44 104.806 -12.836 -5.509 1.00 0.00 O ATOM 506 CB ALA A 44 103.958 -14.468 -3.490 1.00 0.00 C ATOM 0 H ALA A 44 100.963 -14.476 -4.383 1.00 0.00 H new ATOM 0 HA ALA A 44 102.440 -12.970 -3.699 1.00 0.00 H new ATOM 0 HB1 ALA A 44 104.723 -13.768 -3.155 1.00 0.00 H new ATOM 0 HB2 ALA A 44 103.476 -14.921 -2.624 1.00 0.00 H new ATOM 0 HB3 ALA A 44 104.420 -15.247 -4.096 1.00 0.00 H new ATOM 512 N VAL A 45 102.785 -12.605 -6.468 1.00 0.00 N ATOM 513 CA VAL A 45 103.300 -11.909 -7.644 1.00 0.00 C ATOM 514 C VAL A 45 103.142 -10.397 -7.510 1.00 0.00 C ATOM 515 O VAL A 45 103.789 -9.632 -8.227 1.00 0.00 O ATOM 516 CB VAL A 45 102.588 -12.378 -8.927 1.00 0.00 C ATOM 517 CG1 VAL A 45 103.232 -11.755 -10.156 1.00 0.00 C ATOM 518 CG2 VAL A 45 102.604 -13.897 -9.020 1.00 0.00 C ATOM 0 H VAL A 45 101.774 -12.743 -6.469 1.00 0.00 H new ATOM 0 HA VAL A 45 104.360 -12.151 -7.714 1.00 0.00 H new ATOM 0 HB VAL A 45 101.550 -12.049 -8.885 1.00 0.00 H new ATOM 0 HG11 VAL A 45 102.715 -12.099 -11.052 1.00 0.00 H new ATOM 0 HG12 VAL A 45 103.163 -10.669 -10.092 1.00 0.00 H new ATOM 0 HG13 VAL A 45 104.280 -12.050 -10.207 1.00 0.00 H new ATOM 0 HG21 VAL A 45 102.097 -14.211 -9.932 1.00 0.00 H new ATOM 0 HG22 VAL A 45 103.635 -14.250 -9.038 1.00 0.00 H new ATOM 0 HG23 VAL A 45 102.091 -14.320 -8.156 1.00 0.00 H new ATOM 528 N ASP A 46 102.280 -9.966 -6.590 1.00 0.00 N ATOM 529 CA ASP A 46 102.043 -8.541 -6.369 1.00 0.00 C ATOM 530 C ASP A 46 103.356 -7.794 -6.162 1.00 0.00 C ATOM 531 O ASP A 46 103.541 -6.692 -6.679 1.00 0.00 O ATOM 532 CB ASP A 46 101.129 -8.337 -5.160 1.00 0.00 C ATOM 533 CG ASP A 46 100.188 -7.161 -5.340 1.00 0.00 C ATOM 534 OD1 ASP A 46 99.086 -7.363 -5.893 1.00 0.00 O ATOM 535 OD2 ASP A 46 100.553 -6.040 -4.928 1.00 0.00 O ATOM 0 H ASP A 46 101.735 -10.582 -5.987 1.00 0.00 H new ATOM 0 HA ASP A 46 101.556 -8.138 -7.257 1.00 0.00 H new ATOM 0 HB2 ASP A 46 100.547 -9.243 -4.991 1.00 0.00 H new ATOM 0 HB3 ASP A 46 101.738 -8.179 -4.270 1.00 0.00 H new ATOM 540 N GLU A 47 104.265 -8.399 -5.406 1.00 0.00 N ATOM 541 CA GLU A 47 105.559 -7.783 -5.143 1.00 0.00 C ATOM 542 C GLU A 47 106.353 -7.629 -6.432 1.00 0.00 C ATOM 543 O GLU A 47 106.904 -6.563 -6.707 1.00 0.00 O ATOM 544 CB GLU A 47 106.356 -8.609 -4.137 1.00 0.00 C ATOM 545 CG GLU A 47 106.574 -10.051 -4.568 1.00 0.00 C ATOM 546 CD GLU A 47 106.890 -10.966 -3.400 1.00 0.00 C ATOM 547 OE1 GLU A 47 105.962 -11.279 -2.625 1.00 0.00 O ATOM 548 OE2 GLU A 47 108.063 -11.370 -3.262 1.00 0.00 O ATOM 0 H GLU A 47 104.131 -9.310 -4.967 1.00 0.00 H new ATOM 0 HA GLU A 47 105.380 -6.794 -4.721 1.00 0.00 H new ATOM 0 HB2 GLU A 47 107.325 -8.136 -3.978 1.00 0.00 H new ATOM 0 HB3 GLU A 47 105.836 -8.600 -3.179 1.00 0.00 H new ATOM 0 HG2 GLU A 47 105.681 -10.413 -5.078 1.00 0.00 H new ATOM 0 HG3 GLU A 47 107.391 -10.092 -5.288 1.00 0.00 H new ATOM 555 N LYS A 48 106.402 -8.695 -7.228 1.00 0.00 N ATOM 556 CA LYS A 48 107.121 -8.661 -8.497 1.00 0.00 C ATOM 557 C LYS A 48 106.708 -7.432 -9.297 1.00 0.00 C ATOM 558 O LYS A 48 107.510 -6.849 -10.027 1.00 0.00 O ATOM 559 CB LYS A 48 106.844 -9.931 -9.304 1.00 0.00 C ATOM 560 CG LYS A 48 107.825 -10.152 -10.444 1.00 0.00 C ATOM 561 CD LYS A 48 107.574 -11.475 -11.148 1.00 0.00 C ATOM 562 CE LYS A 48 107.975 -11.412 -12.612 1.00 0.00 C ATOM 563 NZ LYS A 48 107.039 -10.571 -13.408 1.00 0.00 N ATOM 0 H LYS A 48 105.955 -9.587 -7.018 1.00 0.00 H new ATOM 0 HA LYS A 48 108.190 -8.608 -8.290 1.00 0.00 H new ATOM 0 HB2 LYS A 48 106.877 -10.791 -8.635 1.00 0.00 H new ATOM 0 HB3 LYS A 48 105.833 -9.881 -9.710 1.00 0.00 H new ATOM 0 HG2 LYS A 48 107.740 -9.336 -11.161 1.00 0.00 H new ATOM 0 HG3 LYS A 48 108.844 -10.132 -10.057 1.00 0.00 H new ATOM 0 HD2 LYS A 48 108.135 -12.266 -10.650 1.00 0.00 H new ATOM 0 HD3 LYS A 48 106.518 -11.735 -11.070 1.00 0.00 H new ATOM 0 HE2 LYS A 48 108.985 -11.010 -12.695 1.00 0.00 H new ATOM 0 HE3 LYS A 48 107.999 -12.420 -13.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 107.139 -10.801 -14.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 106.062 -10.758 -13.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 107.262 -9.566 -13.258 1.00 0.00 H new ATOM 577 N LEU A 49 105.450 -7.037 -9.130 1.00 0.00 N ATOM 578 CA LEU A 49 104.916 -5.867 -9.813 1.00 0.00 C ATOM 579 C LEU A 49 105.191 -4.609 -8.996 1.00 0.00 C ATOM 580 O LEU A 49 105.360 -3.522 -9.547 1.00 0.00 O ATOM 581 CB LEU A 49 103.411 -6.025 -10.038 1.00 0.00 C ATOM 582 CG LEU A 49 103.019 -6.641 -11.382 1.00 0.00 C ATOM 583 CD1 LEU A 49 101.648 -7.295 -11.289 1.00 0.00 C ATOM 584 CD2 LEU A 49 103.036 -5.587 -12.477 1.00 0.00 C ATOM 0 H LEU A 49 104.780 -7.513 -8.525 1.00 0.00 H new ATOM 0 HA LEU A 49 105.409 -5.775 -10.781 1.00 0.00 H new ATOM 0 HB2 LEU A 49 103.002 -6.644 -9.239 1.00 0.00 H new ATOM 0 HB3 LEU A 49 102.942 -5.045 -9.954 1.00 0.00 H new ATOM 0 HG LEU A 49 103.749 -7.410 -11.635 1.00 0.00 H new ATOM 0 HD11 LEU A 49 101.385 -7.728 -12.254 1.00 0.00 H new ATOM 0 HD12 LEU A 49 101.670 -8.080 -10.533 1.00 0.00 H new ATOM 0 HD13 LEU A 49 100.906 -6.546 -11.013 1.00 0.00 H new ATOM 0 HD21 LEU A 49 102.755 -6.044 -13.426 1.00 0.00 H new ATOM 0 HD22 LEU A 49 102.328 -4.795 -12.231 1.00 0.00 H new ATOM 0 HD23 LEU A 49 104.038 -5.165 -12.560 1.00 0.00 H new ATOM 596 N ARG A 50 105.240 -4.767 -7.672 1.00 0.00 N ATOM 597 CA ARG A 50 105.500 -3.644 -6.778 1.00 0.00 C ATOM 598 C ARG A 50 106.953 -3.645 -6.312 1.00 0.00 C ATOM 599 O ARG A 50 107.267 -3.162 -5.224 1.00 0.00 O ATOM 600 CB ARG A 50 104.566 -3.704 -5.567 1.00 0.00 C ATOM 601 CG ARG A 50 104.111 -2.337 -5.080 1.00 0.00 C ATOM 602 CD ARG A 50 104.802 -1.947 -3.782 1.00 0.00 C ATOM 603 NE ARG A 50 104.458 -2.850 -2.687 1.00 0.00 N ATOM 604 CZ ARG A 50 105.150 -2.938 -1.554 1.00 0.00 C ATOM 605 NH1 ARG A 50 106.224 -2.181 -1.362 1.00 0.00 N ATOM 606 NH2 ARG A 50 104.769 -3.787 -0.609 1.00 0.00 N ATOM 0 H ARG A 50 105.103 -5.660 -7.199 1.00 0.00 H new ATOM 0 HA ARG A 50 105.314 -2.722 -7.329 1.00 0.00 H new ATOM 0 HB2 ARG A 50 103.690 -4.299 -5.824 1.00 0.00 H new ATOM 0 HB3 ARG A 50 105.074 -4.220 -4.752 1.00 0.00 H new ATOM 0 HG2 ARG A 50 104.322 -1.589 -5.844 1.00 0.00 H new ATOM 0 HG3 ARG A 50 103.031 -2.344 -4.930 1.00 0.00 H new ATOM 0 HD2 ARG A 50 105.882 -1.952 -3.930 1.00 0.00 H new ATOM 0 HD3 ARG A 50 104.522 -0.928 -3.514 1.00 0.00 H new ATOM 0 HE ARG A 50 103.639 -3.448 -2.797 1.00 0.00 H new ATOM 0 HH11 ARG A 50 106.523 -1.527 -2.085 1.00 0.00 H new ATOM 0 HH12 ARG A 50 106.750 -2.253 -0.491 1.00 0.00 H new ATOM 0 HH21 ARG A 50 103.946 -4.372 -0.751 1.00 0.00 H new ATOM 0 HH22 ARG A 50 105.299 -3.855 0.260 1.00 0.00 H new ATOM 620 N ASP A 51 107.836 -4.193 -7.142 1.00 0.00 N ATOM 621 CA ASP A 51 109.256 -4.257 -6.814 1.00 0.00 C ATOM 622 C ASP A 51 110.019 -3.109 -7.466 1.00 0.00 C ATOM 623 O ASP A 51 110.919 -2.527 -6.860 1.00 0.00 O ATOM 624 CB ASP A 51 109.842 -5.599 -7.263 1.00 0.00 C ATOM 625 CG ASP A 51 110.364 -6.420 -6.098 1.00 0.00 C ATOM 626 OD1 ASP A 51 109.536 -6.954 -5.332 1.00 0.00 O ATOM 627 OD2 ASP A 51 111.599 -6.526 -5.953 1.00 0.00 O ATOM 0 H ASP A 51 107.593 -4.599 -8.046 1.00 0.00 H new ATOM 0 HA ASP A 51 109.359 -4.166 -5.733 1.00 0.00 H new ATOM 0 HB2 ASP A 51 109.077 -6.168 -7.791 1.00 0.00 H new ATOM 0 HB3 ASP A 51 110.652 -5.421 -7.970 1.00 0.00 H new ATOM 632 N LEU A 52 109.654 -2.786 -8.703 1.00 0.00 N ATOM 633 CA LEU A 52 110.304 -1.704 -9.437 1.00 0.00 C ATOM 634 C LEU A 52 110.321 -0.423 -8.610 1.00 0.00 C ATOM 635 O LEU A 52 111.294 0.331 -8.630 1.00 0.00 O ATOM 636 CB LEU A 52 109.586 -1.456 -10.765 1.00 0.00 C ATOM 637 CG LEU A 52 108.126 -1.014 -10.638 1.00 0.00 C ATOM 638 CD1 LEU A 52 108.028 0.503 -10.584 1.00 0.00 C ATOM 639 CD2 LEU A 52 107.301 -1.564 -11.793 1.00 0.00 C ATOM 0 H LEU A 52 108.911 -3.258 -9.219 1.00 0.00 H new ATOM 0 HA LEU A 52 111.333 -2.001 -9.639 1.00 0.00 H new ATOM 0 HB2 LEU A 52 110.134 -0.694 -11.320 1.00 0.00 H new ATOM 0 HB3 LEU A 52 109.623 -2.370 -11.357 1.00 0.00 H new ATOM 0 HG LEU A 52 107.725 -1.415 -9.707 1.00 0.00 H new ATOM 0 HD11 LEU A 52 106.982 0.797 -10.494 1.00 0.00 H new ATOM 0 HD12 LEU A 52 108.585 0.873 -9.723 1.00 0.00 H new ATOM 0 HD13 LEU A 52 108.447 0.927 -11.497 1.00 0.00 H new ATOM 0 HD21 LEU A 52 106.266 -1.240 -11.687 1.00 0.00 H new ATOM 0 HD22 LEU A 52 107.703 -1.193 -12.736 1.00 0.00 H new ATOM 0 HD23 LEU A 52 107.343 -2.653 -11.784 1.00 0.00 H new ATOM 651 N TYR A 53 109.240 -0.192 -7.874 1.00 0.00 N ATOM 652 CA TYR A 53 109.121 0.990 -7.033 1.00 0.00 C ATOM 653 C TYR A 53 110.236 1.029 -5.996 1.00 0.00 C ATOM 654 O TYR A 53 110.993 1.995 -5.914 1.00 0.00 O ATOM 655 CB TYR A 53 107.767 0.995 -6.328 1.00 0.00 C ATOM 656 CG TYR A 53 107.213 2.382 -6.105 1.00 0.00 C ATOM 657 CD1 TYR A 53 106.405 2.989 -7.058 1.00 0.00 C ATOM 658 CD2 TYR A 53 107.508 3.091 -4.946 1.00 0.00 C ATOM 659 CE1 TYR A 53 105.907 4.264 -6.864 1.00 0.00 C ATOM 660 CE2 TYR A 53 107.011 4.364 -4.743 1.00 0.00 C ATOM 661 CZ TYR A 53 106.212 4.946 -5.705 1.00 0.00 C ATOM 662 OH TYR A 53 105.718 6.215 -5.508 1.00 0.00 O ATOM 0 H TYR A 53 108.431 -0.812 -7.844 1.00 0.00 H new ATOM 0 HA TYR A 53 109.203 1.872 -7.669 1.00 0.00 H new ATOM 0 HB2 TYR A 53 107.056 0.418 -6.919 1.00 0.00 H new ATOM 0 HB3 TYR A 53 107.864 0.492 -5.366 1.00 0.00 H new ATOM 0 HD1 TYR A 53 106.162 2.456 -7.965 1.00 0.00 H new ATOM 0 HD2 TYR A 53 108.136 2.639 -4.192 1.00 0.00 H new ATOM 0 HE1 TYR A 53 105.283 4.723 -7.616 1.00 0.00 H new ATOM 0 HE2 TYR A 53 107.247 4.901 -3.836 1.00 0.00 H new ATOM 0 HH TYR A 53 106.025 6.555 -4.642 1.00 0.00 H new ATOM 672 N SER A 54 110.326 -0.034 -5.204 1.00 0.00 N ATOM 673 CA SER A 54 111.343 -0.133 -4.159 1.00 0.00 C ATOM 674 C SER A 54 112.655 -0.697 -4.697 1.00 0.00 C ATOM 675 O SER A 54 113.513 -1.130 -3.929 1.00 0.00 O ATOM 676 CB SER A 54 110.836 -1.003 -3.008 1.00 0.00 C ATOM 677 OG SER A 54 111.755 -1.009 -1.929 1.00 0.00 O ATOM 0 H SER A 54 109.706 -0.842 -5.265 1.00 0.00 H new ATOM 0 HA SER A 54 111.537 0.876 -3.794 1.00 0.00 H new ATOM 0 HB2 SER A 54 109.870 -0.631 -2.665 1.00 0.00 H new ATOM 0 HB3 SER A 54 110.678 -2.022 -3.361 1.00 0.00 H new ATOM 0 HG SER A 54 112.669 -1.071 -2.278 1.00 0.00 H new ATOM 683 N LYS A 55 112.813 -0.672 -6.013 1.00 0.00 N ATOM 684 CA LYS A 55 114.031 -1.166 -6.645 1.00 0.00 C ATOM 685 C LYS A 55 114.751 -0.037 -7.368 1.00 0.00 C ATOM 686 O LYS A 55 115.978 -0.029 -7.464 1.00 0.00 O ATOM 687 CB LYS A 55 113.712 -2.299 -7.622 1.00 0.00 C ATOM 688 CG LYS A 55 113.697 -3.675 -6.975 1.00 0.00 C ATOM 689 CD LYS A 55 113.418 -4.766 -7.996 1.00 0.00 C ATOM 690 CE LYS A 55 114.701 -5.273 -8.635 1.00 0.00 C ATOM 691 NZ LYS A 55 115.133 -6.576 -8.057 1.00 0.00 N ATOM 0 H LYS A 55 112.114 -0.315 -6.665 1.00 0.00 H new ATOM 0 HA LYS A 55 114.685 -1.556 -5.865 1.00 0.00 H new ATOM 0 HB2 LYS A 55 112.740 -2.111 -8.079 1.00 0.00 H new ATOM 0 HB3 LYS A 55 114.448 -2.293 -8.426 1.00 0.00 H new ATOM 0 HG2 LYS A 55 114.657 -3.862 -6.493 1.00 0.00 H new ATOM 0 HG3 LYS A 55 112.937 -3.703 -6.194 1.00 0.00 H new ATOM 0 HD2 LYS A 55 112.899 -5.594 -7.513 1.00 0.00 H new ATOM 0 HD3 LYS A 55 112.753 -4.381 -8.769 1.00 0.00 H new ATOM 0 HE2 LYS A 55 114.552 -5.384 -9.709 1.00 0.00 H new ATOM 0 HE3 LYS A 55 115.491 -4.535 -8.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 116.011 -6.887 -8.520 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 115.300 -6.465 -7.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 114.390 -7.287 -8.211 1.00 0.00 H new ATOM 705 N SER A 56 113.980 0.923 -7.862 1.00 0.00 N ATOM 706 CA SER A 56 114.543 2.071 -8.564 1.00 0.00 C ATOM 707 C SER A 56 114.468 3.317 -7.690 1.00 0.00 C ATOM 708 O SER A 56 115.249 4.252 -7.857 1.00 0.00 O ATOM 709 CB SER A 56 113.798 2.314 -9.874 1.00 0.00 C ATOM 710 OG SER A 56 113.634 1.109 -10.601 1.00 0.00 O ATOM 0 H SER A 56 112.963 0.930 -7.790 1.00 0.00 H new ATOM 0 HA SER A 56 115.588 1.856 -8.787 1.00 0.00 H new ATOM 0 HB2 SER A 56 112.822 2.751 -9.665 1.00 0.00 H new ATOM 0 HB3 SER A 56 114.347 3.035 -10.479 1.00 0.00 H new ATOM 0 HG SER A 56 112.899 0.590 -10.212 1.00 0.00 H new ATOM 716 N THR A 57 113.520 3.322 -6.756 1.00 0.00 N ATOM 717 CA THR A 57 113.341 4.450 -5.854 1.00 0.00 C ATOM 718 C THR A 57 113.980 4.175 -4.496 1.00 0.00 C ATOM 719 O THR A 57 114.359 5.104 -3.784 1.00 0.00 O ATOM 720 CB THR A 57 111.854 4.758 -5.676 1.00 0.00 C ATOM 721 OG1 THR A 57 111.190 4.769 -6.926 1.00 0.00 O ATOM 722 CG2 THR A 57 111.598 6.092 -5.008 1.00 0.00 C ATOM 0 H THR A 57 112.865 2.555 -6.606 1.00 0.00 H new ATOM 0 HA THR A 57 113.835 5.315 -6.297 1.00 0.00 H new ATOM 0 HB THR A 57 111.469 3.966 -5.033 1.00 0.00 H new ATOM 0 HG1 THR A 57 110.849 3.872 -7.123 1.00 0.00 H new ATOM 0 HG21 THR A 57 110.524 6.250 -4.911 1.00 0.00 H new ATOM 0 HG22 THR A 57 112.056 6.097 -4.019 1.00 0.00 H new ATOM 0 HG23 THR A 57 112.029 6.890 -5.612 1.00 0.00 H new ATOM 730 N ALA A 58 114.101 2.897 -4.139 1.00 0.00 N ATOM 731 CA ALA A 58 114.699 2.524 -2.861 1.00 0.00 C ATOM 732 C ALA A 58 116.172 2.193 -3.032 1.00 0.00 C ATOM 733 O ALA A 58 116.999 2.529 -2.184 1.00 0.00 O ATOM 734 CB ALA A 58 113.954 1.349 -2.244 1.00 0.00 C ATOM 0 H ALA A 58 113.796 2.110 -4.712 1.00 0.00 H new ATOM 0 HA ALA A 58 114.618 3.375 -2.185 1.00 0.00 H new ATOM 0 HB1 ALA A 58 114.415 1.086 -1.292 1.00 0.00 H new ATOM 0 HB2 ALA A 58 112.912 1.625 -2.079 1.00 0.00 H new ATOM 0 HB3 ALA A 58 114.001 0.494 -2.918 1.00 0.00 H new ATOM 740 N ALA A 59 116.497 1.538 -4.139 1.00 0.00 N ATOM 741 CA ALA A 59 117.877 1.176 -4.422 1.00 0.00 C ATOM 742 C ALA A 59 118.744 2.423 -4.570 1.00 0.00 C ATOM 743 O ALA A 59 119.969 2.352 -4.471 1.00 0.00 O ATOM 744 CB ALA A 59 117.958 0.321 -5.676 1.00 0.00 C ATOM 0 H ALA A 59 115.827 1.248 -4.851 1.00 0.00 H new ATOM 0 HA ALA A 59 118.255 0.594 -3.581 1.00 0.00 H new ATOM 0 HB1 ALA A 59 118.998 0.060 -5.872 1.00 0.00 H new ATOM 0 HB2 ALA A 59 117.376 -0.590 -5.534 1.00 0.00 H new ATOM 0 HB3 ALA A 59 117.558 0.879 -6.523 1.00 0.00 H new ATOM 750 N MET A 60 118.102 3.569 -4.801 1.00 0.00 N ATOM 751 CA MET A 60 118.823 4.827 -4.954 1.00 0.00 C ATOM 752 C MET A 60 118.716 5.671 -3.690 1.00 0.00 C ATOM 753 O MET A 60 119.646 6.392 -3.327 1.00 0.00 O ATOM 754 CB MET A 60 118.292 5.607 -6.161 1.00 0.00 C ATOM 755 CG MET A 60 116.907 6.207 -5.961 1.00 0.00 C ATOM 756 SD MET A 60 116.909 8.011 -6.008 1.00 0.00 S ATOM 757 CE MET A 60 118.176 8.384 -4.798 1.00 0.00 C ATOM 0 H MET A 60 117.089 3.649 -4.885 1.00 0.00 H new ATOM 0 HA MET A 60 119.875 4.596 -5.123 1.00 0.00 H new ATOM 0 HB2 MET A 60 118.992 6.409 -6.397 1.00 0.00 H new ATOM 0 HB3 MET A 60 118.266 4.943 -7.025 1.00 0.00 H new ATOM 0 HG2 MET A 60 116.238 5.829 -6.734 1.00 0.00 H new ATOM 0 HG3 MET A 60 116.507 5.874 -5.003 1.00 0.00 H new ATOM 0 HE1 MET A 60 118.343 9.461 -4.766 1.00 0.00 H new ATOM 0 HE2 MET A 60 117.855 8.037 -3.816 1.00 0.00 H new ATOM 0 HE3 MET A 60 119.103 7.881 -5.075 1.00 0.00 H new ATOM 767 N SER A 61 117.571 5.576 -3.026 1.00 0.00 N ATOM 768 CA SER A 61 117.330 6.327 -1.800 1.00 0.00 C ATOM 769 C SER A 61 117.999 5.653 -0.608 1.00 0.00 C ATOM 770 O SER A 61 118.462 6.320 0.316 1.00 0.00 O ATOM 771 CB SER A 61 115.828 6.463 -1.547 1.00 0.00 C ATOM 772 OG SER A 61 115.569 6.893 -0.223 1.00 0.00 O ATOM 0 H SER A 61 116.792 4.985 -3.317 1.00 0.00 H new ATOM 0 HA SER A 61 117.762 7.320 -1.922 1.00 0.00 H new ATOM 0 HB2 SER A 61 115.400 7.174 -2.253 1.00 0.00 H new ATOM 0 HB3 SER A 61 115.339 5.505 -1.723 1.00 0.00 H new ATOM 0 HG SER A 61 114.602 6.973 -0.088 1.00 0.00 H new ATOM 778 N THR A 62 118.046 4.325 -0.636 1.00 0.00 N ATOM 779 CA THR A 62 118.662 3.560 0.442 1.00 0.00 C ATOM 780 C THR A 62 120.180 3.703 0.407 1.00 0.00 C ATOM 781 O THR A 62 120.847 3.589 1.435 1.00 0.00 O ATOM 782 CB THR A 62 118.273 2.084 0.337 1.00 0.00 C ATOM 783 OG1 THR A 62 116.868 1.943 0.228 1.00 0.00 O ATOM 784 CG2 THR A 62 118.726 1.262 1.524 1.00 0.00 C ATOM 0 H THR A 62 117.665 3.757 -1.393 1.00 0.00 H new ATOM 0 HA THR A 62 118.298 3.955 1.390 1.00 0.00 H new ATOM 0 HB THR A 62 118.777 1.714 -0.556 1.00 0.00 H new ATOM 0 HG1 THR A 62 116.574 2.267 -0.649 1.00 0.00 H new ATOM 0 HG21 THR A 62 118.419 0.225 1.387 1.00 0.00 H new ATOM 0 HG22 THR A 62 119.812 1.311 1.607 1.00 0.00 H new ATOM 0 HG23 THR A 62 118.274 1.657 2.434 1.00 0.00 H new ATOM 792 N TYR A 63 120.718 3.959 -0.780 1.00 0.00 N ATOM 793 CA TYR A 63 122.148 4.124 -0.958 1.00 0.00 C ATOM 794 C TYR A 63 122.614 5.443 -0.360 1.00 0.00 C ATOM 795 O TYR A 63 123.739 5.556 0.126 1.00 0.00 O ATOM 796 CB TYR A 63 122.469 4.087 -2.441 1.00 0.00 C ATOM 797 CG TYR A 63 123.502 3.051 -2.819 1.00 0.00 C ATOM 798 CD1 TYR A 63 123.166 1.706 -2.901 1.00 0.00 C ATOM 799 CD2 TYR A 63 124.815 3.418 -3.091 1.00 0.00 C ATOM 800 CE1 TYR A 63 124.108 0.755 -3.243 1.00 0.00 C ATOM 801 CE2 TYR A 63 125.762 2.473 -3.436 1.00 0.00 C ATOM 802 CZ TYR A 63 125.404 1.144 -3.510 1.00 0.00 C ATOM 803 OH TYR A 63 126.345 0.200 -3.854 1.00 0.00 O ATOM 0 H TYR A 63 120.176 4.057 -1.638 1.00 0.00 H new ATOM 0 HA TYR A 63 122.668 3.314 -0.446 1.00 0.00 H new ATOM 0 HB2 TYR A 63 121.552 3.891 -2.996 1.00 0.00 H new ATOM 0 HB3 TYR A 63 122.825 5.070 -2.750 1.00 0.00 H new ATOM 0 HD1 TYR A 63 122.152 1.398 -2.694 1.00 0.00 H new ATOM 0 HD2 TYR A 63 125.099 4.458 -3.032 1.00 0.00 H new ATOM 0 HE1 TYR A 63 123.831 -0.287 -3.301 1.00 0.00 H new ATOM 0 HE2 TYR A 63 126.778 2.774 -3.647 1.00 0.00 H new ATOM 0 HH TYR A 63 127.207 0.639 -4.011 1.00 0.00 H new ATOM 813 N THR A 64 121.731 6.437 -0.388 1.00 0.00 N ATOM 814 CA THR A 64 122.042 7.749 0.166 1.00 0.00 C ATOM 815 C THR A 64 122.497 7.607 1.611 1.00 0.00 C ATOM 816 O THR A 64 123.224 8.450 2.138 1.00 0.00 O ATOM 817 CB THR A 64 120.825 8.672 0.082 1.00 0.00 C ATOM 818 OG1 THR A 64 119.844 8.294 1.032 1.00 0.00 O ATOM 819 CG2 THR A 64 120.167 8.671 -1.281 1.00 0.00 C ATOM 0 H THR A 64 120.796 6.358 -0.788 1.00 0.00 H new ATOM 0 HA THR A 64 122.848 8.192 -0.419 1.00 0.00 H new ATOM 0 HB THR A 64 121.206 9.673 0.283 1.00 0.00 H new ATOM 0 HG1 THR A 64 119.126 7.801 0.582 1.00 0.00 H new ATOM 0 HG21 THR A 64 119.311 9.346 -1.272 1.00 0.00 H new ATOM 0 HG22 THR A 64 120.884 9.004 -2.031 1.00 0.00 H new ATOM 0 HG23 THR A 64 119.831 7.662 -1.522 1.00 0.00 H new ATOM 827 N GLY A 65 122.072 6.516 2.232 1.00 0.00 N ATOM 828 CA GLY A 65 122.446 6.242 3.602 1.00 0.00 C ATOM 829 C GLY A 65 123.681 5.369 3.679 1.00 0.00 C ATOM 830 O GLY A 65 124.379 5.355 4.693 1.00 0.00 O ATOM 0 H GLY A 65 121.470 5.811 1.806 1.00 0.00 H new ATOM 0 HA2 GLY A 65 122.630 7.181 4.124 1.00 0.00 H new ATOM 0 HA3 GLY A 65 121.619 5.750 4.114 1.00 0.00 H new ATOM 834 N ILE A 66 123.960 4.643 2.595 1.00 0.00 N ATOM 835 CA ILE A 66 125.126 3.774 2.542 1.00 0.00 C ATOM 836 C ILE A 66 126.342 4.524 2.013 1.00 0.00 C ATOM 837 O ILE A 66 127.473 4.049 2.116 1.00 0.00 O ATOM 838 CB ILE A 66 124.869 2.538 1.657 1.00 0.00 C ATOM 839 CG1 ILE A 66 123.561 1.856 2.062 1.00 0.00 C ATOM 840 CG2 ILE A 66 126.033 1.564 1.757 1.00 0.00 C ATOM 841 CD1 ILE A 66 123.578 1.301 3.469 1.00 0.00 C ATOM 0 H ILE A 66 123.393 4.643 1.747 1.00 0.00 H new ATOM 0 HA ILE A 66 125.322 3.442 3.562 1.00 0.00 H new ATOM 0 HB ILE A 66 124.781 2.864 0.621 1.00 0.00 H new ATOM 0 HG12 ILE A 66 122.745 2.573 1.973 1.00 0.00 H new ATOM 0 HG13 ILE A 66 123.352 1.046 1.363 1.00 0.00 H new ATOM 0 HG21 ILE A 66 125.837 0.697 1.127 1.00 0.00 H new ATOM 0 HG22 ILE A 66 126.948 2.055 1.424 1.00 0.00 H new ATOM 0 HG23 ILE A 66 126.150 1.242 2.792 1.00 0.00 H new ATOM 0 HD11 ILE A 66 122.618 0.832 3.687 1.00 0.00 H new ATOM 0 HD12 ILE A 66 124.372 0.560 3.558 1.00 0.00 H new ATOM 0 HD13 ILE A 66 123.756 2.110 4.177 1.00 0.00 H new ATOM 853 N PHE A 67 126.101 5.703 1.450 1.00 0.00 N ATOM 854 CA PHE A 67 127.166 6.528 0.909 1.00 0.00 C ATOM 855 C PHE A 67 128.135 6.950 2.006 1.00 0.00 C ATOM 856 O PHE A 67 129.351 6.829 1.861 1.00 0.00 O ATOM 857 CB PHE A 67 126.555 7.753 0.240 1.00 0.00 C ATOM 858 CG PHE A 67 127.186 8.102 -1.077 1.00 0.00 C ATOM 859 CD1 PHE A 67 126.786 7.467 -2.242 1.00 0.00 C ATOM 860 CD2 PHE A 67 128.182 9.064 -1.150 1.00 0.00 C ATOM 861 CE1 PHE A 67 127.368 7.785 -3.455 1.00 0.00 C ATOM 862 CE2 PHE A 67 128.766 9.385 -2.360 1.00 0.00 C ATOM 863 CZ PHE A 67 128.359 8.745 -3.514 1.00 0.00 C ATOM 0 H PHE A 67 125.169 6.108 1.358 1.00 0.00 H new ATOM 0 HA PHE A 67 127.727 5.951 0.174 1.00 0.00 H new ATOM 0 HB2 PHE A 67 125.490 7.579 0.087 1.00 0.00 H new ATOM 0 HB3 PHE A 67 126.645 8.606 0.913 1.00 0.00 H new ATOM 0 HD1 PHE A 67 126.011 6.716 -2.202 1.00 0.00 H new ATOM 0 HD2 PHE A 67 128.505 9.568 -0.251 1.00 0.00 H new ATOM 0 HE1 PHE A 67 127.048 7.283 -4.356 1.00 0.00 H new ATOM 0 HE2 PHE A 67 129.541 10.136 -2.403 1.00 0.00 H new ATOM 0 HZ PHE A 67 128.815 8.995 -4.461 1.00 0.00 H new ATOM 873 N THR A 68 127.580 7.440 3.105 1.00 0.00 N ATOM 874 CA THR A 68 128.379 7.883 4.240 1.00 0.00 C ATOM 875 C THR A 68 129.113 6.711 4.887 1.00 0.00 C ATOM 876 O THR A 68 130.116 6.900 5.576 1.00 0.00 O ATOM 877 CB THR A 68 127.486 8.571 5.276 1.00 0.00 C ATOM 878 OG1 THR A 68 126.246 8.946 4.702 1.00 0.00 O ATOM 879 CG2 THR A 68 128.111 9.815 5.871 1.00 0.00 C ATOM 0 H THR A 68 126.574 7.541 3.236 1.00 0.00 H new ATOM 0 HA THR A 68 129.121 8.592 3.874 1.00 0.00 H new ATOM 0 HB THR A 68 127.347 7.837 6.070 1.00 0.00 H new ATOM 0 HG1 THR A 68 125.690 9.382 5.381 1.00 0.00 H new ATOM 0 HG21 THR A 68 127.427 10.254 6.597 1.00 0.00 H new ATOM 0 HG22 THR A 68 129.046 9.551 6.366 1.00 0.00 H new ATOM 0 HG23 THR A 68 128.311 10.536 5.079 1.00 0.00 H new ATOM 887 N ASP A 69 128.605 5.501 4.666 1.00 0.00 N ATOM 888 CA ASP A 69 129.212 4.298 5.231 1.00 0.00 C ATOM 889 C ASP A 69 130.695 4.215 4.885 1.00 0.00 C ATOM 890 O ASP A 69 131.484 3.635 5.630 1.00 0.00 O ATOM 891 CB ASP A 69 128.487 3.050 4.725 1.00 0.00 C ATOM 892 CG ASP A 69 128.451 1.942 5.759 1.00 0.00 C ATOM 893 OD1 ASP A 69 128.792 2.210 6.930 1.00 0.00 O ATOM 894 OD2 ASP A 69 128.081 0.805 5.398 1.00 0.00 O ATOM 0 H ASP A 69 127.775 5.327 4.100 1.00 0.00 H new ATOM 0 HA ASP A 69 129.117 4.352 6.315 1.00 0.00 H new ATOM 0 HB2 ASP A 69 127.467 3.314 4.444 1.00 0.00 H new ATOM 0 HB3 ASP A 69 128.981 2.686 3.824 1.00 0.00 H new ATOM 899 N GLN A 70 131.067 4.801 3.755 1.00 0.00 N ATOM 900 CA GLN A 70 132.457 4.797 3.313 1.00 0.00 C ATOM 901 C GLN A 70 133.169 6.082 3.736 1.00 0.00 C ATOM 902 O GLN A 70 134.282 6.361 3.289 1.00 0.00 O ATOM 903 CB GLN A 70 132.530 4.634 1.793 1.00 0.00 C ATOM 904 CG GLN A 70 132.992 3.255 1.351 1.00 0.00 C ATOM 905 CD GLN A 70 134.459 3.226 0.972 1.00 0.00 C ATOM 906 OE1 GLN A 70 134.837 3.641 -0.125 1.00 0.00 O ATOM 907 NE2 GLN A 70 135.296 2.733 1.878 1.00 0.00 N ATOM 0 H GLN A 70 130.426 5.286 3.127 1.00 0.00 H new ATOM 0 HA GLN A 70 132.960 3.954 3.786 1.00 0.00 H new ATOM 0 HB2 GLN A 70 131.547 4.833 1.367 1.00 0.00 H new ATOM 0 HB3 GLN A 70 133.210 5.383 1.388 1.00 0.00 H new ATOM 0 HG2 GLN A 70 132.814 2.541 2.155 1.00 0.00 H new ATOM 0 HG3 GLN A 70 132.394 2.931 0.499 1.00 0.00 H new ATOM 0 HE21 GLN A 70 134.940 2.400 2.774 1.00 0.00 H new ATOM 0 HE22 GLN A 70 136.295 2.687 1.678 1.00 0.00 H new ATOM 916 N VAL A 71 132.519 6.862 4.596 1.00 0.00 N ATOM 917 CA VAL A 71 133.081 8.118 5.077 1.00 0.00 C ATOM 918 C VAL A 71 133.595 7.976 6.500 1.00 0.00 C ATOM 919 O VAL A 71 134.778 8.191 6.762 1.00 0.00 O ATOM 920 CB VAL A 71 132.026 9.241 5.020 1.00 0.00 C ATOM 921 CG1 VAL A 71 132.591 10.553 5.542 1.00 0.00 C ATOM 922 CG2 VAL A 71 131.504 9.407 3.601 1.00 0.00 C ATOM 0 H VAL A 71 131.598 6.643 4.975 1.00 0.00 H new ATOM 0 HA VAL A 71 133.916 8.377 4.427 1.00 0.00 H new ATOM 0 HB VAL A 71 131.195 8.957 5.665 1.00 0.00 H new ATOM 0 HG11 VAL A 71 131.824 11.326 5.489 1.00 0.00 H new ATOM 0 HG12 VAL A 71 132.908 10.426 6.577 1.00 0.00 H new ATOM 0 HG13 VAL A 71 133.446 10.848 4.934 1.00 0.00 H new ATOM 0 HG21 VAL A 71 130.760 10.203 3.578 1.00 0.00 H new ATOM 0 HG22 VAL A 71 132.330 9.662 2.937 1.00 0.00 H new ATOM 0 HG23 VAL A 71 131.047 8.474 3.270 1.00 0.00 H new ATOM 932 N LEU A 72 132.714 7.594 7.417 1.00 0.00 N ATOM 933 CA LEU A 72 133.110 7.415 8.800 1.00 0.00 C ATOM 934 C LEU A 72 133.935 6.148 8.932 1.00 0.00 C ATOM 935 O LEU A 72 134.804 6.039 9.797 1.00 0.00 O ATOM 936 CB LEU A 72 131.889 7.359 9.727 1.00 0.00 C ATOM 937 CG LEU A 72 130.622 6.749 9.120 1.00 0.00 C ATOM 938 CD1 LEU A 72 129.823 6.005 10.181 1.00 0.00 C ATOM 939 CD2 LEU A 72 129.770 7.830 8.471 1.00 0.00 C ATOM 0 H LEU A 72 131.730 7.405 7.226 1.00 0.00 H new ATOM 0 HA LEU A 72 133.712 8.272 9.101 1.00 0.00 H new ATOM 0 HB2 LEU A 72 132.156 6.787 10.615 1.00 0.00 H new ATOM 0 HB3 LEU A 72 131.660 8.372 10.058 1.00 0.00 H new ATOM 0 HG LEU A 72 130.919 6.035 8.352 1.00 0.00 H new ATOM 0 HD11 LEU A 72 128.927 5.579 9.730 1.00 0.00 H new ATOM 0 HD12 LEU A 72 130.433 5.205 10.601 1.00 0.00 H new ATOM 0 HD13 LEU A 72 129.536 6.697 10.973 1.00 0.00 H new ATOM 0 HD21 LEU A 72 128.874 7.380 8.045 1.00 0.00 H new ATOM 0 HD22 LEU A 72 129.484 8.567 9.221 1.00 0.00 H new ATOM 0 HD23 LEU A 72 130.341 8.319 7.682 1.00 0.00 H new ATOM 951 N SER A 73 133.664 5.198 8.046 1.00 0.00 N ATOM 952 CA SER A 73 134.379 3.936 8.032 1.00 0.00 C ATOM 953 C SER A 73 135.823 4.132 7.586 1.00 0.00 C ATOM 954 O SER A 73 136.652 3.233 7.728 1.00 0.00 O ATOM 955 CB SER A 73 133.681 2.955 7.098 1.00 0.00 C ATOM 956 OG SER A 73 134.278 1.671 7.164 1.00 0.00 O ATOM 0 H SER A 73 132.948 5.283 7.324 1.00 0.00 H new ATOM 0 HA SER A 73 134.383 3.535 9.045 1.00 0.00 H new ATOM 0 HB2 SER A 73 132.627 2.883 7.364 1.00 0.00 H new ATOM 0 HB3 SER A 73 133.726 3.328 6.075 1.00 0.00 H new ATOM 0 HG SER A 73 135.226 1.762 7.396 1.00 0.00 H new ATOM 962 N VAL A 74 136.118 5.305 7.035 1.00 0.00 N ATOM 963 CA VAL A 74 137.461 5.598 6.555 1.00 0.00 C ATOM 964 C VAL A 74 138.059 6.840 7.214 1.00 0.00 C ATOM 965 O VAL A 74 139.279 7.004 7.217 1.00 0.00 O ATOM 966 CB VAL A 74 137.468 5.803 5.029 1.00 0.00 C ATOM 967 CG1 VAL A 74 138.893 5.935 4.512 1.00 0.00 C ATOM 968 CG2 VAL A 74 136.743 4.661 4.330 1.00 0.00 C ATOM 0 H VAL A 74 135.448 6.064 6.911 1.00 0.00 H new ATOM 0 HA VAL A 74 138.071 4.735 6.822 1.00 0.00 H new ATOM 0 HB VAL A 74 136.938 6.729 4.805 1.00 0.00 H new ATOM 0 HG11 VAL A 74 138.876 6.079 3.432 1.00 0.00 H new ATOM 0 HG12 VAL A 74 139.374 6.791 4.985 1.00 0.00 H new ATOM 0 HG13 VAL A 74 139.451 5.029 4.749 1.00 0.00 H new ATOM 0 HG21 VAL A 74 136.759 4.825 3.253 1.00 0.00 H new ATOM 0 HG22 VAL A 74 137.240 3.719 4.561 1.00 0.00 H new ATOM 0 HG23 VAL A 74 135.710 4.620 4.675 1.00 0.00 H new ATOM 978 N LEU A 75 137.219 7.734 7.741 1.00 0.00 N ATOM 979 CA LEU A 75 137.746 8.961 8.353 1.00 0.00 C ATOM 980 C LEU A 75 137.280 9.188 9.795 1.00 0.00 C ATOM 981 O LEU A 75 137.721 10.144 10.432 1.00 0.00 O ATOM 982 CB LEU A 75 137.379 10.174 7.496 1.00 0.00 C ATOM 983 CG LEU A 75 135.935 10.658 7.635 1.00 0.00 C ATOM 984 CD1 LEU A 75 135.843 11.781 8.658 1.00 0.00 C ATOM 985 CD2 LEU A 75 135.397 11.115 6.288 1.00 0.00 C ATOM 0 H LEU A 75 136.203 7.640 7.759 1.00 0.00 H new ATOM 0 HA LEU A 75 138.828 8.834 8.396 1.00 0.00 H new ATOM 0 HB2 LEU A 75 138.047 10.996 7.754 1.00 0.00 H new ATOM 0 HB3 LEU A 75 137.564 9.929 6.450 1.00 0.00 H new ATOM 0 HG LEU A 75 135.324 9.826 7.986 1.00 0.00 H new ATOM 0 HD11 LEU A 75 134.808 12.112 8.743 1.00 0.00 H new ATOM 0 HD12 LEU A 75 136.189 11.420 9.627 1.00 0.00 H new ATOM 0 HD13 LEU A 75 136.466 12.616 8.338 1.00 0.00 H new ATOM 0 HD21 LEU A 75 134.368 11.456 6.404 1.00 0.00 H new ATOM 0 HD22 LEU A 75 136.010 11.933 5.910 1.00 0.00 H new ATOM 0 HD23 LEU A 75 135.426 10.284 5.584 1.00 0.00 H new ATOM 997 N LYS A 76 136.404 8.336 10.322 1.00 0.00 N ATOM 998 CA LYS A 76 135.932 8.518 11.696 1.00 0.00 C ATOM 999 C LYS A 76 136.419 7.399 12.607 1.00 0.00 C ATOM 1000 O LYS A 76 136.276 7.473 13.827 1.00 0.00 O ATOM 1001 CB LYS A 76 134.411 8.576 11.719 1.00 0.00 C ATOM 1002 CG LYS A 76 133.858 9.960 12.026 1.00 0.00 C ATOM 1003 CD LYS A 76 132.939 10.460 10.920 1.00 0.00 C ATOM 1004 CE LYS A 76 131.483 10.469 11.364 1.00 0.00 C ATOM 1005 NZ LYS A 76 130.550 10.521 10.205 1.00 0.00 N ATOM 0 H LYS A 76 136.013 7.530 9.834 1.00 0.00 H new ATOM 0 HA LYS A 76 136.341 9.458 12.068 1.00 0.00 H new ATOM 0 HB2 LYS A 76 134.029 8.247 10.753 1.00 0.00 H new ATOM 0 HB3 LYS A 76 134.040 7.872 12.464 1.00 0.00 H new ATOM 0 HG2 LYS A 76 133.311 9.932 12.968 1.00 0.00 H new ATOM 0 HG3 LYS A 76 134.683 10.660 12.157 1.00 0.00 H new ATOM 0 HD2 LYS A 76 133.237 11.466 10.626 1.00 0.00 H new ATOM 0 HD3 LYS A 76 133.048 9.825 10.041 1.00 0.00 H new ATOM 0 HE2 LYS A 76 131.278 9.577 11.955 1.00 0.00 H new ATOM 0 HE3 LYS A 76 131.306 11.328 12.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 129.683 9.993 10.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 130.308 11.511 9.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 131.006 10.095 9.373 1.00 0.00 H new ATOM 1019 N GLY A 77 136.977 6.359 12.007 1.00 0.00 N ATOM 1020 CA GLY A 77 137.455 5.234 12.776 1.00 0.00 C ATOM 1021 C GLY A 77 136.659 3.992 12.464 1.00 0.00 C ATOM 1022 O GLY A 77 136.165 3.317 13.365 1.00 0.00 O ATOM 0 H GLY A 77 137.107 6.276 10.999 1.00 0.00 H new ATOM 0 HA2 GLY A 77 138.509 5.060 12.557 1.00 0.00 H new ATOM 0 HA3 GLY A 77 137.383 5.459 13.840 1.00 0.00 H new ATOM 1026 N GLU A 78 136.528 3.706 11.171 1.00 0.00 N ATOM 1027 CA GLU A 78 135.789 2.554 10.703 1.00 0.00 C ATOM 1028 C GLU A 78 134.381 2.504 11.300 1.00 0.00 C ATOM 1029 O GLU A 78 134.004 1.526 11.945 1.00 0.00 O ATOM 1030 CB GLU A 78 136.575 1.281 11.009 1.00 0.00 C ATOM 1031 CG GLU A 78 136.632 0.902 12.482 1.00 0.00 C ATOM 1032 CD GLU A 78 136.836 -0.585 12.693 1.00 0.00 C ATOM 1033 OE1 GLU A 78 136.512 -1.366 11.773 1.00 0.00 O ATOM 1034 OE2 GLU A 78 137.320 -0.970 13.778 1.00 0.00 O ATOM 0 H GLU A 78 136.934 4.271 10.425 1.00 0.00 H new ATOM 0 HA GLU A 78 135.664 2.637 9.623 1.00 0.00 H new ATOM 0 HB2 GLU A 78 136.131 0.455 10.453 1.00 0.00 H new ATOM 0 HB3 GLU A 78 137.594 1.403 10.640 1.00 0.00 H new ATOM 0 HG2 GLU A 78 137.443 1.448 12.963 1.00 0.00 H new ATOM 0 HG3 GLU A 78 135.707 1.211 12.969 1.00 0.00 H new ATOM 1041 N GLU A 79 133.594 3.562 11.066 1.00 0.00 N ATOM 1042 CA GLU A 79 132.228 3.619 11.580 1.00 0.00 C ATOM 1043 C GLU A 79 132.223 3.858 13.087 1.00 0.00 C ATOM 1044 O GLU A 79 132.068 5.027 13.498 1.00 0.00 O ATOM 1045 CB GLU A 79 131.476 2.323 11.251 1.00 0.00 C ATOM 1046 CG GLU A 79 130.198 2.544 10.458 1.00 0.00 C ATOM 1047 CD GLU A 79 129.072 3.093 11.310 1.00 0.00 C ATOM 1048 OE1 GLU A 79 129.309 4.069 12.052 1.00 0.00 O ATOM 1049 OE2 GLU A 79 127.951 2.546 11.236 1.00 0.00 O ATOM 0 H GLU A 79 133.880 4.381 10.529 1.00 0.00 H new ATOM 0 HA GLU A 79 131.721 4.454 11.096 1.00 0.00 H new ATOM 0 HB2 GLU A 79 132.135 1.664 10.685 1.00 0.00 H new ATOM 0 HB3 GLU A 79 131.232 1.809 12.181 1.00 0.00 H new ATOM 0 HG2 GLU A 79 130.398 3.234 9.638 1.00 0.00 H new ATOM 0 HG3 GLU A 79 129.884 1.601 10.011 1.00 0.00 H new TER 1056 GLU A 79