USER MOD reduce.3.24.130724 H: found=0, std=0, add=748, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 748 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 9 MET CE :methyl 136:sc= -0.227 (180deg=-1.84!) USER MOD Set 1.2: A 60 MET CE :methyl 140:sc= -0.386 (180deg=-1.08) USER MOD Set 2.1: A 52 SER OG : rot 170:sc= 0 USER MOD Set 2.2: A 58 THR OG1 : rot 110:sc= -0.101 USER MOD Single : A 1 GLY N :NH3+ 170:sc= -0.0359 (180deg=-0.118) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 46:sc= 0.0745 USER MOD Single : A 5 SER OG : rot 180:sc= 0.0522 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= -0.3 X(o=-0.3,f=-0.03) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc= 0.624 K(o=0.62,f=0) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ -157:sc= -0.0345 (180deg=-0.217) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 ASN : amide:sc= -0.38 K(o=-0.38,f=-4!) USER MOD Single : A 35 THR OG1 : rot -139:sc= 0.0633 USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 LYS NZ :NH3+ -145:sc= 0 (180deg=-0.703) USER MOD Single : A 46 ASN : amide:sc= -0.455 K(o=-0.46,f=-1.4) USER MOD Single : A 47 ASN : amide:sc= -0.0133 X(o=-0.013,f=0) USER MOD Single : A 56 SER OG : rot 180:sc= 0.0811 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc=-0.00871 X(o=-0.0087,f=-0.34) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot -169:sc= -0.0633 USER MOD Single : A 79 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 MET CE :methyl 138:sc= -1.97 (180deg=-5.08!) USER MOD Single : A 82 TYR OH : rot 121:sc= -1.08 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 GLN : amide:sc= 0 X(o=0,f=-0.022) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 31:sc= 0.633 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 4.832 14.666 -9.509 1.00 0.00 N ATOM 2 CA GLY A 1 5.373 13.308 -9.794 1.00 0.00 C ATOM 3 C GLY A 1 6.714 13.066 -9.130 1.00 0.00 C ATOM 4 O GLY A 1 7.529 12.289 -9.626 1.00 0.00 O ATOM 0 H1 GLY A 1 4.006 14.845 -10.115 1.00 0.00 H new ATOM 0 H2 GLY A 1 4.548 14.724 -8.510 1.00 0.00 H new ATOM 0 H3 GLY A 1 5.564 15.379 -9.702 1.00 0.00 H new ATOM 0 HA2 GLY A 1 4.661 12.557 -9.451 1.00 0.00 H new ATOM 0 HA3 GLY A 1 5.477 13.180 -10.872 1.00 0.00 H new ATOM 10 N SER A 2 6.944 13.735 -8.005 1.00 0.00 N ATOM 11 CA SER A 2 8.196 13.591 -7.272 1.00 0.00 C ATOM 12 C SER A 2 8.049 14.094 -5.840 1.00 0.00 C ATOM 13 O SER A 2 8.276 15.270 -5.557 1.00 0.00 O ATOM 14 CB SER A 2 9.316 14.354 -7.981 1.00 0.00 C ATOM 15 OG SER A 2 10.589 13.854 -7.610 1.00 0.00 O ATOM 0 H SER A 2 6.279 14.382 -7.581 1.00 0.00 H new ATOM 0 HA SER A 2 8.451 12.532 -7.241 1.00 0.00 H new ATOM 0 HB2 SER A 2 9.190 14.271 -9.060 1.00 0.00 H new ATOM 0 HB3 SER A 2 9.252 15.414 -7.733 1.00 0.00 H new ATOM 0 HG SER A 2 11.287 14.357 -8.078 1.00 0.00 H new ATOM 21 N SER A 3 7.669 13.194 -4.938 1.00 0.00 N ATOM 22 CA SER A 3 7.493 13.546 -3.534 1.00 0.00 C ATOM 23 C SER A 3 8.834 13.588 -2.810 1.00 0.00 C ATOM 24 O SER A 3 9.460 12.553 -2.581 1.00 0.00 O ATOM 25 CB SER A 3 6.562 12.543 -2.849 1.00 0.00 C ATOM 26 OG SER A 3 6.852 11.217 -3.257 1.00 0.00 O ATOM 0 H SER A 3 7.477 12.216 -5.155 1.00 0.00 H new ATOM 0 HA SER A 3 7.045 14.539 -3.488 1.00 0.00 H new ATOM 0 HB2 SER A 3 6.667 12.625 -1.767 1.00 0.00 H new ATOM 0 HB3 SER A 3 5.526 12.782 -3.088 1.00 0.00 H new ATOM 0 HG SER A 3 7.821 11.072 -3.235 1.00 0.00 H new ATOM 32 N GLY A 4 9.270 14.792 -2.452 1.00 0.00 N ATOM 33 CA GLY A 4 10.535 14.945 -1.758 1.00 0.00 C ATOM 34 C GLY A 4 10.497 14.382 -0.352 1.00 0.00 C ATOM 35 O GLY A 4 11.521 13.948 0.178 1.00 0.00 O ATOM 0 H GLY A 4 8.770 15.663 -2.630 1.00 0.00 H new ATOM 0 HA2 GLY A 4 11.320 14.445 -2.325 1.00 0.00 H new ATOM 0 HA3 GLY A 4 10.797 16.002 -1.716 1.00 0.00 H new ATOM 39 N SER A 5 9.315 14.387 0.255 1.00 0.00 N ATOM 40 CA SER A 5 9.148 13.872 1.609 1.00 0.00 C ATOM 41 C SER A 5 8.938 12.361 1.594 1.00 0.00 C ATOM 42 O SER A 5 9.374 11.656 2.503 1.00 0.00 O ATOM 43 CB SER A 5 7.965 14.556 2.296 1.00 0.00 C ATOM 44 OG SER A 5 6.984 14.951 1.351 1.00 0.00 O ATOM 0 H SER A 5 8.458 14.742 -0.170 1.00 0.00 H new ATOM 0 HA SER A 5 10.058 14.089 2.168 1.00 0.00 H new ATOM 0 HB2 SER A 5 7.521 13.877 3.024 1.00 0.00 H new ATOM 0 HB3 SER A 5 8.316 15.429 2.847 1.00 0.00 H new ATOM 0 HG SER A 5 6.238 15.384 1.816 1.00 0.00 H new ATOM 50 N SER A 6 8.268 11.872 0.556 1.00 0.00 N ATOM 51 CA SER A 6 8.000 10.445 0.421 1.00 0.00 C ATOM 52 C SER A 6 7.127 9.944 1.567 1.00 0.00 C ATOM 53 O SER A 6 7.206 10.450 2.687 1.00 0.00 O ATOM 54 CB SER A 6 9.312 9.658 0.382 1.00 0.00 C ATOM 55 OG SER A 6 9.232 8.575 -0.529 1.00 0.00 O ATOM 0 H SER A 6 7.900 12.443 -0.205 1.00 0.00 H new ATOM 0 HA SER A 6 7.464 10.290 -0.515 1.00 0.00 H new ATOM 0 HB2 SER A 6 10.128 10.320 0.093 1.00 0.00 H new ATOM 0 HB3 SER A 6 9.544 9.282 1.379 1.00 0.00 H new ATOM 0 HG SER A 6 10.083 8.090 -0.536 1.00 0.00 H new ATOM 61 N GLY A 7 6.294 8.949 1.280 1.00 0.00 N ATOM 62 CA GLY A 7 5.419 8.398 2.297 1.00 0.00 C ATOM 63 C GLY A 7 4.010 8.953 2.213 1.00 0.00 C ATOM 64 O GLY A 7 3.794 10.149 2.408 1.00 0.00 O ATOM 0 H GLY A 7 6.210 8.515 0.361 1.00 0.00 H new ATOM 0 HA2 GLY A 7 5.386 7.313 2.194 1.00 0.00 H new ATOM 0 HA3 GLY A 7 5.832 8.612 3.283 1.00 0.00 H new ATOM 68 N ASP A 8 3.050 8.082 1.923 1.00 0.00 N ATOM 69 CA ASP A 8 1.654 8.492 1.813 1.00 0.00 C ATOM 70 C ASP A 8 0.722 7.388 2.303 1.00 0.00 C ATOM 71 O ASP A 8 -0.396 7.243 1.812 1.00 0.00 O ATOM 72 CB ASP A 8 1.319 8.851 0.365 1.00 0.00 C ATOM 73 CG ASP A 8 1.709 10.275 0.018 1.00 0.00 C ATOM 74 OD1 ASP A 8 2.908 10.605 0.123 1.00 0.00 O ATOM 75 OD2 ASP A 8 0.814 11.060 -0.360 1.00 0.00 O ATOM 0 H ASP A 8 3.212 7.088 1.760 1.00 0.00 H new ATOM 0 HA ASP A 8 1.509 9.371 2.441 1.00 0.00 H new ATOM 0 HB2 ASP A 8 1.833 8.163 -0.306 1.00 0.00 H new ATOM 0 HB3 ASP A 8 0.250 8.719 0.199 1.00 0.00 H new ATOM 80 N MET A 9 1.191 6.613 3.276 1.00 0.00 N ATOM 81 CA MET A 9 0.400 5.522 3.832 1.00 0.00 C ATOM 82 C MET A 9 -0.422 6.001 5.026 1.00 0.00 C ATOM 83 O MET A 9 -1.523 5.508 5.273 1.00 0.00 O ATOM 84 CB MET A 9 1.310 4.366 4.254 1.00 0.00 C ATOM 85 CG MET A 9 1.426 3.271 3.207 1.00 0.00 C ATOM 86 SD MET A 9 0.040 2.120 3.249 1.00 0.00 S ATOM 87 CE MET A 9 -0.032 1.612 1.533 1.00 0.00 C ATOM 0 H MET A 9 2.115 6.721 3.695 1.00 0.00 H new ATOM 0 HA MET A 9 -0.284 5.171 3.059 1.00 0.00 H new ATOM 0 HB2 MET A 9 2.304 4.757 4.470 1.00 0.00 H new ATOM 0 HB3 MET A 9 0.929 3.934 5.179 1.00 0.00 H new ATOM 0 HG2 MET A 9 1.487 3.725 2.218 1.00 0.00 H new ATOM 0 HG3 MET A 9 2.354 2.721 3.363 1.00 0.00 H new ATOM 0 HE1 MET A 9 -0.170 0.532 1.479 1.00 0.00 H new ATOM 0 HE2 MET A 9 -0.867 2.110 1.041 1.00 0.00 H new ATOM 0 HE3 MET A 9 0.898 1.884 1.034 1.00 0.00 H new ATOM 97 N LYS A 10 0.120 6.966 5.762 1.00 0.00 N ATOM 98 CA LYS A 10 -0.562 7.512 6.929 1.00 0.00 C ATOM 99 C LYS A 10 -1.883 8.165 6.531 1.00 0.00 C ATOM 100 O LYS A 10 -2.844 8.163 7.299 1.00 0.00 O ATOM 101 CB LYS A 10 0.333 8.529 7.640 1.00 0.00 C ATOM 102 CG LYS A 10 0.991 7.986 8.898 1.00 0.00 C ATOM 103 CD LYS A 10 1.401 9.105 9.840 1.00 0.00 C ATOM 104 CE LYS A 10 2.185 8.575 11.029 1.00 0.00 C ATOM 105 NZ LYS A 10 2.828 9.672 11.806 1.00 0.00 N ATOM 0 H LYS A 10 1.030 7.386 5.571 1.00 0.00 H new ATOM 0 HA LYS A 10 -0.777 6.690 7.612 1.00 0.00 H new ATOM 0 HB2 LYS A 10 1.108 8.863 6.950 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -0.262 9.405 7.900 1.00 0.00 H new ATOM 0 HG2 LYS A 10 0.302 7.313 9.409 1.00 0.00 H new ATOM 0 HG3 LYS A 10 1.868 7.398 8.626 1.00 0.00 H new ATOM 0 HD2 LYS A 10 2.006 9.833 9.300 1.00 0.00 H new ATOM 0 HD3 LYS A 10 0.512 9.628 10.193 1.00 0.00 H new ATOM 0 HE2 LYS A 10 1.518 8.011 11.681 1.00 0.00 H new ATOM 0 HE3 LYS A 10 2.950 7.882 10.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 3.353 9.268 12.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 3.484 10.195 11.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 2.097 10.320 12.162 1.00 0.00 H new ATOM 119 N GLN A 11 -1.920 8.723 5.325 1.00 0.00 N ATOM 120 CA GLN A 11 -3.122 9.380 4.825 1.00 0.00 C ATOM 121 C GLN A 11 -4.270 8.385 4.683 1.00 0.00 C ATOM 122 O GLN A 11 -5.439 8.748 4.818 1.00 0.00 O ATOM 123 CB GLN A 11 -2.840 10.047 3.476 1.00 0.00 C ATOM 124 CG GLN A 11 -2.391 9.073 2.399 1.00 0.00 C ATOM 125 CD GLN A 11 -3.182 9.218 1.114 1.00 0.00 C ATOM 126 OE1 GLN A 11 -4.402 9.048 1.099 1.00 0.00 O ATOM 127 NE2 GLN A 11 -2.489 9.532 0.025 1.00 0.00 N ATOM 0 H GLN A 11 -1.132 8.733 4.677 1.00 0.00 H new ATOM 0 HA GLN A 11 -3.415 10.143 5.547 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -3.741 10.560 3.138 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -2.071 10.808 3.610 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -1.333 9.231 2.190 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -2.493 8.054 2.771 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -1.479 9.664 0.083 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -2.967 9.642 -0.870 1.00 0.00 H new ATOM 136 N LEU A 12 -3.929 7.130 4.413 1.00 0.00 N ATOM 137 CA LEU A 12 -4.932 6.082 4.254 1.00 0.00 C ATOM 138 C LEU A 12 -5.630 5.793 5.580 1.00 0.00 C ATOM 139 O LEU A 12 -5.238 6.312 6.625 1.00 0.00 O ATOM 140 CB LEU A 12 -4.285 4.805 3.714 1.00 0.00 C ATOM 141 CG LEU A 12 -4.303 4.666 2.190 1.00 0.00 C ATOM 142 CD1 LEU A 12 -3.459 3.480 1.753 1.00 0.00 C ATOM 143 CD2 LEU A 12 -5.731 4.522 1.687 1.00 0.00 C ATOM 0 H LEU A 12 -2.966 6.813 4.300 1.00 0.00 H new ATOM 0 HA LEU A 12 -5.678 6.431 3.540 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -3.250 4.767 4.055 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -4.795 3.945 4.148 1.00 0.00 H new ATOM 0 HG LEU A 12 -3.875 5.569 1.755 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -3.484 3.397 0.666 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -2.430 3.624 2.083 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -3.857 2.567 2.196 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -5.726 4.424 0.601 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -6.185 3.635 2.129 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -6.307 5.403 1.969 1.00 0.00 H new ATOM 155 N ALA A 13 -6.665 4.963 5.529 1.00 0.00 N ATOM 156 CA ALA A 13 -7.418 4.604 6.724 1.00 0.00 C ATOM 157 C ALA A 13 -7.216 3.134 7.079 1.00 0.00 C ATOM 158 O ALA A 13 -6.962 2.305 6.207 1.00 0.00 O ATOM 159 CB ALA A 13 -8.897 4.903 6.525 1.00 0.00 C ATOM 0 H ALA A 13 -7.002 4.526 4.671 1.00 0.00 H new ATOM 0 HA ALA A 13 -7.045 5.205 7.553 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -9.448 4.630 7.425 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -9.030 5.967 6.327 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -9.274 4.327 5.680 1.00 0.00 H new ATOM 165 N GLU A 14 -7.332 2.821 8.366 1.00 0.00 N ATOM 166 CA GLU A 14 -7.161 1.452 8.836 1.00 0.00 C ATOM 167 C GLU A 14 -8.228 0.536 8.245 1.00 0.00 C ATOM 168 O GLU A 14 -7.957 -0.621 7.921 1.00 0.00 O ATOM 169 CB GLU A 14 -7.222 1.405 10.364 1.00 0.00 C ATOM 170 CG GLU A 14 -6.534 0.189 10.963 1.00 0.00 C ATOM 171 CD GLU A 14 -5.394 0.560 11.893 1.00 0.00 C ATOM 172 OE1 GLU A 14 -5.657 0.778 13.094 1.00 0.00 O ATOM 173 OE2 GLU A 14 -4.241 0.634 11.419 1.00 0.00 O ATOM 0 H GLU A 14 -7.543 3.496 9.101 1.00 0.00 H new ATOM 0 HA GLU A 14 -6.183 1.100 8.506 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -6.761 2.307 10.766 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -8.266 1.413 10.678 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -7.266 -0.404 11.511 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -6.152 -0.440 10.159 1.00 0.00 H new ATOM 180 N ASP A 15 -9.441 1.060 8.109 1.00 0.00 N ATOM 181 CA ASP A 15 -10.549 0.290 7.558 1.00 0.00 C ATOM 182 C ASP A 15 -10.264 -0.120 6.116 1.00 0.00 C ATOM 183 O ASP A 15 -10.736 -1.158 5.651 1.00 0.00 O ATOM 184 CB ASP A 15 -11.844 1.102 7.623 1.00 0.00 C ATOM 185 CG ASP A 15 -12.441 1.124 9.017 1.00 0.00 C ATOM 186 OD1 ASP A 15 -12.363 0.092 9.714 1.00 0.00 O ATOM 187 OD2 ASP A 15 -12.986 2.177 9.411 1.00 0.00 O ATOM 0 H ASP A 15 -9.682 2.015 8.373 1.00 0.00 H new ATOM 0 HA ASP A 15 -10.664 -0.613 8.157 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -11.646 2.124 7.299 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -12.569 0.681 6.926 1.00 0.00 H new ATOM 192 N VAL A 16 -9.491 0.701 5.413 1.00 0.00 N ATOM 193 CA VAL A 16 -9.144 0.423 4.024 1.00 0.00 C ATOM 194 C VAL A 16 -8.121 -0.704 3.929 1.00 0.00 C ATOM 195 O VAL A 16 -8.316 -1.671 3.194 1.00 0.00 O ATOM 196 CB VAL A 16 -8.581 1.674 3.325 1.00 0.00 C ATOM 197 CG1 VAL A 16 -8.376 1.413 1.841 1.00 0.00 C ATOM 198 CG2 VAL A 16 -9.501 2.866 3.540 1.00 0.00 C ATOM 0 H VAL A 16 -9.093 1.564 5.782 1.00 0.00 H new ATOM 0 HA VAL A 16 -10.063 0.119 3.522 1.00 0.00 H new ATOM 0 HB VAL A 16 -7.612 1.906 3.766 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -7.978 2.309 1.366 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -7.673 0.590 1.710 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -9.330 1.152 1.382 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -9.086 3.741 3.039 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -10.486 2.645 3.128 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -9.591 3.068 4.607 1.00 0.00 H new ATOM 208 N LYS A 17 -7.030 -0.571 4.676 1.00 0.00 N ATOM 209 CA LYS A 17 -5.976 -1.579 4.674 1.00 0.00 C ATOM 210 C LYS A 17 -6.433 -2.849 5.386 1.00 0.00 C ATOM 211 O LYS A 17 -5.964 -3.945 5.080 1.00 0.00 O ATOM 212 CB LYS A 17 -4.715 -1.029 5.344 1.00 0.00 C ATOM 213 CG LYS A 17 -4.211 0.264 4.723 1.00 0.00 C ATOM 214 CD LYS A 17 -4.384 1.447 5.665 1.00 0.00 C ATOM 215 CE LYS A 17 -3.044 1.980 6.146 1.00 0.00 C ATOM 216 NZ LYS A 17 -2.649 1.391 7.456 1.00 0.00 N ATOM 0 H LYS A 17 -6.853 0.224 5.290 1.00 0.00 H new ATOM 0 HA LYS A 17 -5.749 -1.829 3.638 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -4.920 -0.859 6.401 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -3.927 -1.780 5.289 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -3.158 0.157 4.464 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -4.750 0.456 3.795 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -4.931 2.241 5.156 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -4.985 1.145 6.523 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -2.278 1.759 5.403 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -3.096 3.065 6.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -1.730 1.780 7.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -3.367 1.623 8.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -2.574 0.358 7.364 1.00 0.00 H new ATOM 230 N LEU A 18 -7.349 -2.694 6.336 1.00 0.00 N ATOM 231 CA LEU A 18 -7.869 -3.829 7.092 1.00 0.00 C ATOM 232 C LEU A 18 -8.493 -4.864 6.161 1.00 0.00 C ATOM 233 O LEU A 18 -8.430 -6.066 6.419 1.00 0.00 O ATOM 234 CB LEU A 18 -8.905 -3.356 8.114 1.00 0.00 C ATOM 235 CG LEU A 18 -8.345 -3.026 9.498 1.00 0.00 C ATOM 236 CD1 LEU A 18 -9.439 -2.476 10.400 1.00 0.00 C ATOM 237 CD2 LEU A 18 -7.707 -4.258 10.123 1.00 0.00 C ATOM 0 H LEU A 18 -7.747 -1.793 6.601 1.00 0.00 H new ATOM 0 HA LEU A 18 -7.036 -4.295 7.618 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -9.404 -2.470 7.720 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -9.666 -4.129 8.222 1.00 0.00 H new ATOM 0 HG LEU A 18 -7.577 -2.261 9.384 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -9.021 -2.247 11.380 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -9.851 -1.568 9.960 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -10.230 -3.218 10.507 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -7.314 -4.004 11.107 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -8.455 -5.044 10.223 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -6.894 -4.609 9.487 1.00 0.00 H new ATOM 249 N GLN A 19 -9.097 -4.389 5.076 1.00 0.00 N ATOM 250 CA GLN A 19 -9.733 -5.273 4.106 1.00 0.00 C ATOM 251 C GLN A 19 -8.696 -5.910 3.187 1.00 0.00 C ATOM 252 O GLN A 19 -8.872 -7.037 2.722 1.00 0.00 O ATOM 253 CB GLN A 19 -10.761 -4.501 3.277 1.00 0.00 C ATOM 254 CG GLN A 19 -11.811 -3.792 4.117 1.00 0.00 C ATOM 255 CD GLN A 19 -12.724 -2.912 3.286 1.00 0.00 C ATOM 256 OE1 GLN A 19 -13.416 -3.389 2.387 1.00 0.00 O ATOM 257 NE2 GLN A 19 -12.729 -1.618 3.584 1.00 0.00 N ATOM 0 H GLN A 19 -9.159 -3.397 4.847 1.00 0.00 H new ATOM 0 HA GLN A 19 -10.241 -6.066 4.655 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -10.242 -3.765 2.663 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -11.258 -5.191 2.596 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -12.410 -4.534 4.646 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -11.316 -3.184 4.874 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -12.139 -1.266 4.338 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -13.323 -0.976 3.059 1.00 0.00 H new ATOM 266 N LEU A 20 -7.616 -5.181 2.927 1.00 0.00 N ATOM 267 CA LEU A 20 -6.550 -5.673 2.062 1.00 0.00 C ATOM 268 C LEU A 20 -5.934 -6.949 2.627 1.00 0.00 C ATOM 269 O LEU A 20 -5.489 -7.820 1.879 1.00 0.00 O ATOM 270 CB LEU A 20 -5.470 -4.605 1.890 1.00 0.00 C ATOM 271 CG LEU A 20 -5.755 -3.565 0.804 1.00 0.00 C ATOM 272 CD1 LEU A 20 -5.031 -2.263 1.110 1.00 0.00 C ATOM 273 CD2 LEU A 20 -5.348 -4.097 -0.562 1.00 0.00 C ATOM 0 H LEU A 20 -7.456 -4.247 3.303 1.00 0.00 H new ATOM 0 HA LEU A 20 -6.984 -5.901 1.089 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -5.337 -4.088 2.840 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -4.526 -5.099 1.660 1.00 0.00 H new ATOM 0 HG LEU A 20 -6.826 -3.365 0.789 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -5.245 -1.535 0.327 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -5.371 -1.874 2.070 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -3.957 -2.445 1.152 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -5.558 -3.345 -1.323 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -4.282 -4.325 -0.561 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -5.912 -5.003 -0.783 1.00 0.00 H new ATOM 285 N TYR A 21 -5.911 -7.054 3.953 1.00 0.00 N ATOM 286 CA TYR A 21 -5.348 -8.223 4.616 1.00 0.00 C ATOM 287 C TYR A 21 -6.173 -9.471 4.314 1.00 0.00 C ATOM 288 O TYR A 21 -5.627 -10.525 3.990 1.00 0.00 O ATOM 289 CB TYR A 21 -5.281 -7.996 6.128 1.00 0.00 C ATOM 290 CG TYR A 21 -4.586 -6.711 6.518 1.00 0.00 C ATOM 291 CD1 TYR A 21 -3.396 -6.331 5.910 1.00 0.00 C ATOM 292 CD2 TYR A 21 -5.120 -5.879 7.493 1.00 0.00 C ATOM 293 CE1 TYR A 21 -2.758 -5.157 6.264 1.00 0.00 C ATOM 294 CE2 TYR A 21 -4.488 -4.703 7.852 1.00 0.00 C ATOM 295 CZ TYR A 21 -3.308 -4.348 7.235 1.00 0.00 C ATOM 296 OH TYR A 21 -2.676 -3.178 7.591 1.00 0.00 O ATOM 0 H TYR A 21 -6.276 -6.344 4.588 1.00 0.00 H new ATOM 0 HA TYR A 21 -4.339 -8.375 4.233 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -6.294 -7.988 6.531 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -4.761 -8.835 6.590 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -2.963 -6.963 5.149 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -6.044 -6.155 7.979 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -1.833 -4.875 5.782 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -4.917 -4.066 8.612 1.00 0.00 H new ATOM 0 HH TYR A 21 -3.195 -2.725 8.288 1.00 0.00 H new ATOM 306 N LYS A 22 -7.491 -9.342 4.423 1.00 0.00 N ATOM 307 CA LYS A 22 -8.393 -10.459 4.161 1.00 0.00 C ATOM 308 C LYS A 22 -8.233 -10.966 2.732 1.00 0.00 C ATOM 309 O LYS A 22 -8.406 -12.155 2.462 1.00 0.00 O ATOM 310 CB LYS A 22 -9.843 -10.038 4.407 1.00 0.00 C ATOM 311 CG LYS A 22 -10.169 -9.808 5.874 1.00 0.00 C ATOM 312 CD LYS A 22 -10.905 -8.494 6.085 1.00 0.00 C ATOM 313 CE LYS A 22 -12.054 -8.649 7.067 1.00 0.00 C ATOM 314 NZ LYS A 22 -13.143 -9.504 6.517 1.00 0.00 N ATOM 0 H LYS A 22 -7.959 -8.476 4.691 1.00 0.00 H new ATOM 0 HA LYS A 22 -8.136 -11.269 4.844 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -10.046 -9.123 3.850 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -10.508 -10.806 4.012 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -10.780 -10.631 6.245 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -9.248 -9.807 6.456 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -10.209 -7.741 6.455 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -11.288 -8.133 5.130 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -11.683 -9.086 7.994 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -12.454 -7.666 7.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -14.036 -9.284 7.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -13.248 -9.320 5.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -12.906 -10.506 6.665 1.00 0.00 H new ATOM 328 N LEU A 23 -7.902 -10.058 1.819 1.00 0.00 N ATOM 329 CA LEU A 23 -7.718 -10.415 0.418 1.00 0.00 C ATOM 330 C LEU A 23 -6.392 -11.139 0.211 1.00 0.00 C ATOM 331 O LEU A 23 -6.354 -12.248 -0.322 1.00 0.00 O ATOM 332 CB LEU A 23 -7.774 -9.165 -0.461 1.00 0.00 C ATOM 333 CG LEU A 23 -9.152 -8.509 -0.566 1.00 0.00 C ATOM 334 CD1 LEU A 23 -9.024 -6.993 -0.588 1.00 0.00 C ATOM 335 CD2 LEU A 23 -9.882 -9.001 -1.808 1.00 0.00 C ATOM 0 H LEU A 23 -7.756 -9.070 2.025 1.00 0.00 H new ATOM 0 HA LEU A 23 -8.527 -11.087 0.131 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -7.068 -8.432 -0.070 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -7.437 -9.429 -1.463 1.00 0.00 H new ATOM 0 HG LEU A 23 -9.734 -8.790 0.311 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -10.015 -6.545 -0.663 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -8.542 -6.655 0.329 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -8.423 -6.691 -1.446 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -10.861 -8.525 -1.868 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -9.301 -8.749 -2.695 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -10.008 -10.082 -1.752 1.00 0.00 H new ATOM 347 N LEU A 24 -5.304 -10.503 0.635 1.00 0.00 N ATOM 348 CA LEU A 24 -3.974 -11.084 0.498 1.00 0.00 C ATOM 349 C LEU A 24 -3.875 -12.411 1.248 1.00 0.00 C ATOM 350 O LEU A 24 -3.079 -13.278 0.889 1.00 0.00 O ATOM 351 CB LEU A 24 -2.915 -10.112 1.018 1.00 0.00 C ATOM 352 CG LEU A 24 -2.969 -8.709 0.411 1.00 0.00 C ATOM 353 CD1 LEU A 24 -2.318 -7.698 1.343 1.00 0.00 C ATOM 354 CD2 LEU A 24 -2.293 -8.694 -0.952 1.00 0.00 C ATOM 0 H LEU A 24 -5.318 -9.584 1.077 1.00 0.00 H new ATOM 0 HA LEU A 24 -3.797 -11.274 -0.561 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -3.021 -10.028 2.100 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -1.929 -10.536 0.827 1.00 0.00 H new ATOM 0 HG LEU A 24 -4.014 -8.429 0.280 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -2.366 -6.706 0.894 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -2.845 -7.691 2.297 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -1.276 -7.972 1.506 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -2.340 -7.689 -1.370 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -1.251 -8.994 -0.844 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -2.803 -9.389 -1.619 1.00 0.00 H new ATOM 366 N GLU A 25 -4.688 -12.560 2.290 1.00 0.00 N ATOM 367 CA GLU A 25 -4.691 -13.780 3.090 1.00 0.00 C ATOM 368 C GLU A 25 -4.942 -15.010 2.221 1.00 0.00 C ATOM 369 O GLU A 25 -4.564 -16.124 2.584 1.00 0.00 O ATOM 370 CB GLU A 25 -5.753 -13.690 4.190 1.00 0.00 C ATOM 371 CG GLU A 25 -5.217 -13.992 5.580 1.00 0.00 C ATOM 372 CD GLU A 25 -5.281 -15.468 5.919 1.00 0.00 C ATOM 373 OE1 GLU A 25 -5.207 -16.296 4.987 1.00 0.00 O ATOM 374 OE2 GLU A 25 -5.403 -15.797 7.118 1.00 0.00 O ATOM 0 H GLU A 25 -5.353 -11.851 2.600 1.00 0.00 H new ATOM 0 HA GLU A 25 -3.708 -13.883 3.549 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -6.184 -12.689 4.186 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -6.560 -14.386 3.962 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -4.184 -13.651 5.649 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -5.789 -13.428 6.317 1.00 0.00 H new ATOM 381 N ILE A 26 -5.583 -14.804 1.075 1.00 0.00 N ATOM 382 CA ILE A 26 -5.882 -15.900 0.161 1.00 0.00 C ATOM 383 C ILE A 26 -4.598 -16.510 -0.402 1.00 0.00 C ATOM 384 O ILE A 26 -3.800 -15.817 -1.033 1.00 0.00 O ATOM 385 CB ILE A 26 -6.770 -15.430 -1.010 1.00 0.00 C ATOM 386 CG1 ILE A 26 -8.016 -14.715 -0.481 1.00 0.00 C ATOM 387 CG2 ILE A 26 -7.164 -16.609 -1.888 1.00 0.00 C ATOM 388 CD1 ILE A 26 -8.766 -13.943 -1.544 1.00 0.00 C ATOM 0 H ILE A 26 -5.905 -13.890 0.758 1.00 0.00 H new ATOM 0 HA ILE A 26 -6.420 -16.654 0.735 1.00 0.00 H new ATOM 0 HB ILE A 26 -6.199 -14.727 -1.616 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -8.686 -15.451 -0.037 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -7.722 -14.030 0.315 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -7.790 -16.258 -2.709 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -6.267 -17.078 -2.291 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -7.718 -17.336 -1.294 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -9.637 -13.462 -1.098 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -8.112 -13.184 -1.972 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -9.091 -14.626 -2.329 1.00 0.00 H new ATOM 400 N PRO A 27 -4.378 -17.820 -0.182 1.00 0.00 N ATOM 401 CA PRO A 27 -3.183 -18.511 -0.674 1.00 0.00 C ATOM 402 C PRO A 27 -3.232 -18.749 -2.180 1.00 0.00 C ATOM 403 O PRO A 27 -3.227 -19.892 -2.639 1.00 0.00 O ATOM 404 CB PRO A 27 -3.211 -19.841 0.080 1.00 0.00 C ATOM 405 CG PRO A 27 -4.654 -20.085 0.353 1.00 0.00 C ATOM 406 CD PRO A 27 -5.274 -18.730 0.561 1.00 0.00 C ATOM 0 HA PRO A 27 -2.276 -17.930 -0.508 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -2.779 -20.644 -0.516 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -2.636 -19.785 1.004 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -5.126 -20.606 -0.480 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -4.783 -20.712 1.235 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -6.293 -18.692 0.176 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -5.323 -18.470 1.618 1.00 0.00 H new ATOM 414 N ASP A 28 -3.282 -17.663 -2.944 1.00 0.00 N ATOM 415 CA ASP A 28 -3.333 -17.754 -4.399 1.00 0.00 C ATOM 416 C ASP A 28 -2.015 -17.299 -5.020 1.00 0.00 C ATOM 417 O ASP A 28 -1.238 -16.578 -4.392 1.00 0.00 O ATOM 418 CB ASP A 28 -4.485 -16.907 -4.943 1.00 0.00 C ATOM 419 CG ASP A 28 -5.766 -17.704 -5.093 1.00 0.00 C ATOM 420 OD1 ASP A 28 -6.204 -18.319 -4.097 1.00 0.00 O ATOM 421 OD2 ASP A 28 -6.332 -17.713 -6.206 1.00 0.00 O ATOM 0 H ASP A 28 -3.288 -16.710 -2.580 1.00 0.00 H new ATOM 0 HA ASP A 28 -3.499 -18.797 -4.667 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -4.660 -16.064 -4.274 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -4.202 -16.492 -5.911 1.00 0.00 H new ATOM 426 N PRO A 29 -1.743 -17.717 -6.268 1.00 0.00 N ATOM 427 CA PRO A 29 -0.511 -17.350 -6.974 1.00 0.00 C ATOM 428 C PRO A 29 -0.481 -15.874 -7.358 1.00 0.00 C ATOM 429 O PRO A 29 0.583 -15.257 -7.408 1.00 0.00 O ATOM 430 CB PRO A 29 -0.544 -18.227 -8.228 1.00 0.00 C ATOM 431 CG PRO A 29 -1.989 -18.510 -8.454 1.00 0.00 C ATOM 432 CD PRO A 29 -2.615 -18.580 -7.088 1.00 0.00 C ATOM 0 HA PRO A 29 0.373 -17.502 -6.355 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -0.103 -17.713 -9.082 1.00 0.00 H new ATOM 0 HB3 PRO A 29 0.022 -19.147 -8.083 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -2.451 -17.727 -9.055 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -2.124 -19.447 -8.994 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -3.643 -18.219 -7.098 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -2.640 -19.602 -6.709 1.00 0.00 H new ATOM 440 N ASP A 30 -1.655 -15.314 -7.629 1.00 0.00 N ATOM 441 CA ASP A 30 -1.764 -13.911 -8.009 1.00 0.00 C ATOM 442 C ASP A 30 -2.758 -13.179 -7.112 1.00 0.00 C ATOM 443 O ASP A 30 -3.413 -12.229 -7.541 1.00 0.00 O ATOM 444 CB ASP A 30 -2.194 -13.789 -9.472 1.00 0.00 C ATOM 445 CG ASP A 30 -1.011 -13.678 -10.415 1.00 0.00 C ATOM 446 OD1 ASP A 30 -0.034 -12.985 -10.062 1.00 0.00 O ATOM 447 OD2 ASP A 30 -1.062 -14.284 -11.505 1.00 0.00 O ATOM 0 H ASP A 30 -2.545 -15.811 -7.592 1.00 0.00 H new ATOM 0 HA ASP A 30 -0.784 -13.450 -7.886 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -2.793 -14.658 -9.745 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -2.832 -12.913 -9.589 1.00 0.00 H new ATOM 452 N LYS A 31 -2.865 -13.628 -5.867 1.00 0.00 N ATOM 453 CA LYS A 31 -3.779 -13.014 -4.909 1.00 0.00 C ATOM 454 C LYS A 31 -3.318 -13.270 -3.477 1.00 0.00 C ATOM 455 O LYS A 31 -4.133 -13.368 -2.560 1.00 0.00 O ATOM 456 CB LYS A 31 -5.196 -13.556 -5.107 1.00 0.00 C ATOM 457 CG LYS A 31 -6.039 -12.722 -6.057 1.00 0.00 C ATOM 458 CD LYS A 31 -7.425 -13.319 -6.243 1.00 0.00 C ATOM 459 CE LYS A 31 -8.019 -12.939 -7.590 1.00 0.00 C ATOM 460 NZ LYS A 31 -9.054 -13.913 -8.039 1.00 0.00 N ATOM 0 H LYS A 31 -2.331 -14.414 -5.497 1.00 0.00 H new ATOM 0 HA LYS A 31 -3.781 -11.938 -5.083 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -5.136 -14.576 -5.488 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -5.696 -13.606 -4.139 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -6.128 -11.707 -5.670 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -5.539 -12.652 -7.023 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -7.369 -14.405 -6.162 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -8.081 -12.974 -5.444 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -8.461 -11.945 -7.524 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -7.225 -12.885 -8.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -9.433 -13.617 -8.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -8.627 -14.857 -8.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -9.825 -13.946 -7.342 1.00 0.00 H new ATOM 474 N ASN A 32 -2.006 -13.374 -3.293 1.00 0.00 N ATOM 475 CA ASN A 32 -1.437 -13.616 -1.971 1.00 0.00 C ATOM 476 C ASN A 32 -0.571 -12.441 -1.529 1.00 0.00 C ATOM 477 O ASN A 32 -0.081 -11.672 -2.356 1.00 0.00 O ATOM 478 CB ASN A 32 -0.608 -14.902 -1.979 1.00 0.00 C ATOM 479 CG ASN A 32 -0.064 -15.246 -0.606 1.00 0.00 C ATOM 480 OD1 ASN A 32 1.147 -15.364 -0.417 1.00 0.00 O ATOM 481 ND2 ASN A 32 -0.959 -15.410 0.362 1.00 0.00 N ATOM 0 H ASN A 32 -1.317 -13.295 -4.041 1.00 0.00 H new ATOM 0 HA ASN A 32 -2.258 -13.725 -1.262 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -1.224 -15.726 -2.340 1.00 0.00 H new ATOM 0 HB3 ASN A 32 0.221 -14.793 -2.679 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -0.652 -15.643 1.306 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -1.953 -15.303 0.161 1.00 0.00 H new ATOM 488 N TRP A 33 -0.387 -12.309 -0.219 1.00 0.00 N ATOM 489 CA TRP A 33 0.420 -11.228 0.335 1.00 0.00 C ATOM 490 C TRP A 33 1.857 -11.309 -0.170 1.00 0.00 C ATOM 491 O TRP A 33 2.497 -10.288 -0.418 1.00 0.00 O ATOM 492 CB TRP A 33 0.400 -11.279 1.864 1.00 0.00 C ATOM 493 CG TRP A 33 0.825 -12.604 2.418 1.00 0.00 C ATOM 494 CD1 TRP A 33 0.018 -13.664 2.719 1.00 0.00 C ATOM 495 CD2 TRP A 33 2.159 -13.010 2.742 1.00 0.00 C ATOM 496 NE1 TRP A 33 0.771 -14.705 3.209 1.00 0.00 N ATOM 497 CE2 TRP A 33 2.087 -14.328 3.233 1.00 0.00 C ATOM 498 CE3 TRP A 33 3.409 -12.388 2.663 1.00 0.00 C ATOM 499 CZ2 TRP A 33 3.217 -15.032 3.642 1.00 0.00 C ATOM 500 CZ3 TRP A 33 4.528 -13.089 3.070 1.00 0.00 C ATOM 501 CH2 TRP A 33 4.427 -14.399 3.553 1.00 0.00 C ATOM 0 H TRP A 33 -0.786 -12.937 0.478 1.00 0.00 H new ATOM 0 HA TRP A 33 -0.009 -10.282 0.005 1.00 0.00 H new ATOM 0 HB2 TRP A 33 1.057 -10.502 2.255 1.00 0.00 H new ATOM 0 HB3 TRP A 33 -0.607 -11.052 2.215 1.00 0.00 H new ATOM 0 HD1 TRP A 33 -1.054 -13.682 2.591 1.00 0.00 H new ATOM 0 HE1 TRP A 33 0.408 -15.611 3.506 1.00 0.00 H new ATOM 0 HE3 TRP A 33 3.498 -11.378 2.291 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 3.141 -16.042 4.016 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 5.498 -12.618 3.014 1.00 0.00 H new ATOM 0 HH2 TRP A 33 5.321 -14.920 3.861 1.00 0.00 H new ATOM 512 N ALA A 34 2.358 -12.531 -0.318 1.00 0.00 N ATOM 513 CA ALA A 34 3.720 -12.746 -0.792 1.00 0.00 C ATOM 514 C ALA A 34 3.922 -12.138 -2.175 1.00 0.00 C ATOM 515 O ALA A 34 4.981 -11.585 -2.472 1.00 0.00 O ATOM 516 CB ALA A 34 4.041 -14.233 -0.815 1.00 0.00 C ATOM 0 H ALA A 34 1.841 -13.387 -0.117 1.00 0.00 H new ATOM 0 HA ALA A 34 4.402 -12.248 -0.102 1.00 0.00 H new ATOM 0 HB1 ALA A 34 5.061 -14.380 -1.171 1.00 0.00 H new ATOM 0 HB2 ALA A 34 3.945 -14.641 0.191 1.00 0.00 H new ATOM 0 HB3 ALA A 34 3.347 -14.745 -1.482 1.00 0.00 H new ATOM 522 N THR A 35 2.900 -12.244 -3.018 1.00 0.00 N ATOM 523 CA THR A 35 2.966 -11.704 -4.371 1.00 0.00 C ATOM 524 C THR A 35 3.010 -10.180 -4.347 1.00 0.00 C ATOM 525 O THR A 35 3.731 -9.557 -5.126 1.00 0.00 O ATOM 526 CB THR A 35 1.764 -12.179 -5.190 1.00 0.00 C ATOM 527 OG1 THR A 35 1.319 -13.446 -4.740 1.00 0.00 O ATOM 528 CG2 THR A 35 2.057 -12.294 -6.670 1.00 0.00 C ATOM 0 H THR A 35 2.016 -12.699 -2.788 1.00 0.00 H new ATOM 0 HA THR A 35 3.882 -12.068 -4.837 1.00 0.00 H new ATOM 0 HB THR A 35 0.997 -11.418 -5.046 1.00 0.00 H new ATOM 0 HG1 THR A 35 1.092 -14.006 -5.512 1.00 0.00 H new ATOM 0 HG21 THR A 35 1.163 -12.635 -7.192 1.00 0.00 H new ATOM 0 HG22 THR A 35 2.355 -11.320 -7.059 1.00 0.00 H new ATOM 0 HG23 THR A 35 2.864 -13.010 -6.827 1.00 0.00 H new ATOM 536 N LEU A 36 2.235 -9.584 -3.447 1.00 0.00 N ATOM 537 CA LEU A 36 2.185 -8.132 -3.320 1.00 0.00 C ATOM 538 C LEU A 36 3.509 -7.586 -2.798 1.00 0.00 C ATOM 539 O LEU A 36 3.908 -6.471 -3.135 1.00 0.00 O ATOM 540 CB LEU A 36 1.045 -7.719 -2.388 1.00 0.00 C ATOM 541 CG LEU A 36 0.839 -6.209 -2.247 1.00 0.00 C ATOM 542 CD1 LEU A 36 0.363 -5.612 -3.561 1.00 0.00 C ATOM 543 CD2 LEU A 36 -0.152 -5.910 -1.132 1.00 0.00 C ATOM 0 H LEU A 36 1.632 -10.085 -2.794 1.00 0.00 H new ATOM 0 HA LEU A 36 2.005 -7.712 -4.309 1.00 0.00 H new ATOM 0 HB2 LEU A 36 0.119 -8.164 -2.752 1.00 0.00 H new ATOM 0 HB3 LEU A 36 1.234 -8.139 -1.400 1.00 0.00 H new ATOM 0 HG LEU A 36 1.794 -5.752 -1.989 1.00 0.00 H new ATOM 0 HD11 LEU A 36 0.222 -4.538 -3.443 1.00 0.00 H new ATOM 0 HD12 LEU A 36 1.107 -5.797 -4.335 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -0.582 -6.073 -3.849 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -0.287 -4.832 -1.045 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -1.109 -6.378 -1.361 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.230 -6.305 -0.190 1.00 0.00 H new ATOM 555 N ALA A 37 4.187 -8.378 -1.974 1.00 0.00 N ATOM 556 CA ALA A 37 5.466 -7.972 -1.404 1.00 0.00 C ATOM 557 C ALA A 37 6.536 -7.857 -2.486 1.00 0.00 C ATOM 558 O ALA A 37 7.436 -7.023 -2.395 1.00 0.00 O ATOM 559 CB ALA A 37 5.902 -8.958 -0.330 1.00 0.00 C ATOM 0 H ALA A 37 3.872 -9.304 -1.686 1.00 0.00 H new ATOM 0 HA ALA A 37 5.339 -6.990 -0.949 1.00 0.00 H new ATOM 0 HB1 ALA A 37 6.858 -8.643 0.087 1.00 0.00 H new ATOM 0 HB2 ALA A 37 5.153 -8.988 0.462 1.00 0.00 H new ATOM 0 HB3 ALA A 37 6.007 -9.950 -0.768 1.00 0.00 H new ATOM 565 N GLN A 38 6.430 -8.700 -3.508 1.00 0.00 N ATOM 566 CA GLN A 38 7.388 -8.692 -4.607 1.00 0.00 C ATOM 567 C GLN A 38 7.169 -7.483 -5.511 1.00 0.00 C ATOM 568 O GLN A 38 8.122 -6.905 -6.033 1.00 0.00 O ATOM 569 CB GLN A 38 7.271 -9.981 -5.422 1.00 0.00 C ATOM 570 CG GLN A 38 8.169 -11.101 -4.922 1.00 0.00 C ATOM 571 CD GLN A 38 8.504 -12.108 -6.004 1.00 0.00 C ATOM 572 OE1 GLN A 38 7.785 -13.086 -6.204 1.00 0.00 O ATOM 573 NE2 GLN A 38 9.603 -11.871 -6.712 1.00 0.00 N ATOM 0 H GLN A 38 5.691 -9.397 -3.598 1.00 0.00 H new ATOM 0 HA GLN A 38 8.390 -8.628 -4.182 1.00 0.00 H new ATOM 0 HB2 GLN A 38 6.235 -10.321 -5.402 1.00 0.00 H new ATOM 0 HB3 GLN A 38 7.516 -9.767 -6.462 1.00 0.00 H new ATOM 0 HG2 GLN A 38 9.092 -10.674 -4.530 1.00 0.00 H new ATOM 0 HG3 GLN A 38 7.678 -11.613 -4.094 1.00 0.00 H new ATOM 0 HE21 GLN A 38 10.170 -11.047 -6.512 1.00 0.00 H new ATOM 0 HE22 GLN A 38 9.879 -12.513 -7.455 1.00 0.00 H new ATOM 582 N LYS A 39 5.907 -7.106 -5.692 1.00 0.00 N ATOM 583 CA LYS A 39 5.563 -5.967 -6.532 1.00 0.00 C ATOM 584 C LYS A 39 5.933 -4.655 -5.849 1.00 0.00 C ATOM 585 O LYS A 39 6.533 -3.771 -6.461 1.00 0.00 O ATOM 586 CB LYS A 39 4.068 -5.980 -6.860 1.00 0.00 C ATOM 587 CG LYS A 39 3.728 -6.762 -8.117 1.00 0.00 C ATOM 588 CD LYS A 39 4.210 -8.201 -8.026 1.00 0.00 C ATOM 589 CE LYS A 39 3.986 -8.948 -9.331 1.00 0.00 C ATOM 590 NZ LYS A 39 4.133 -10.420 -9.161 1.00 0.00 N ATOM 0 H LYS A 39 5.106 -7.574 -5.267 1.00 0.00 H new ATOM 0 HA LYS A 39 6.132 -6.047 -7.458 1.00 0.00 H new ATOM 0 HB2 LYS A 39 3.524 -6.407 -6.018 1.00 0.00 H new ATOM 0 HB3 LYS A 39 3.721 -4.953 -6.976 1.00 0.00 H new ATOM 0 HG2 LYS A 39 2.650 -6.748 -8.275 1.00 0.00 H new ATOM 0 HG3 LYS A 39 4.183 -6.279 -8.982 1.00 0.00 H new ATOM 0 HD2 LYS A 39 5.271 -8.215 -7.775 1.00 0.00 H new ATOM 0 HD3 LYS A 39 3.685 -8.711 -7.219 1.00 0.00 H new ATOM 0 HE2 LYS A 39 2.989 -8.724 -9.711 1.00 0.00 H new ATOM 0 HE3 LYS A 39 4.698 -8.596 -10.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 4.556 -10.828 -10.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 4.748 -10.616 -8.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 3.198 -10.846 -9.000 1.00 0.00 H new ATOM 604 N LEU A 40 5.571 -4.535 -4.576 1.00 0.00 N ATOM 605 CA LEU A 40 5.865 -3.331 -3.807 1.00 0.00 C ATOM 606 C LEU A 40 7.371 -3.119 -3.684 1.00 0.00 C ATOM 607 O LEU A 40 7.903 -2.103 -4.131 1.00 0.00 O ATOM 608 CB LEU A 40 5.235 -3.423 -2.416 1.00 0.00 C ATOM 609 CG LEU A 40 3.707 -3.382 -2.394 1.00 0.00 C ATOM 610 CD1 LEU A 40 3.189 -3.527 -0.972 1.00 0.00 C ATOM 611 CD2 LEU A 40 3.200 -2.091 -3.018 1.00 0.00 C ATOM 0 H LEU A 40 5.073 -5.257 -4.055 1.00 0.00 H new ATOM 0 HA LEU A 40 5.438 -2.478 -4.335 1.00 0.00 H new ATOM 0 HB2 LEU A 40 5.565 -4.349 -1.945 1.00 0.00 H new ATOM 0 HB3 LEU A 40 5.614 -2.602 -1.807 1.00 0.00 H new ATOM 0 HG LEU A 40 3.332 -4.219 -2.982 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.099 -3.495 -0.977 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.523 -4.479 -0.558 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.573 -2.711 -0.360 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.110 -2.079 -2.994 1.00 0.00 H new ATOM 0 HD22 LEU A 40 3.585 -1.240 -2.456 1.00 0.00 H new ATOM 0 HD23 LEU A 40 3.541 -2.028 -4.051 1.00 0.00 H new ATOM 623 N GLY A 41 8.051 -4.084 -3.073 1.00 0.00 N ATOM 624 CA GLY A 41 9.488 -3.982 -2.902 1.00 0.00 C ATOM 625 C GLY A 41 9.943 -4.449 -1.532 1.00 0.00 C ATOM 626 O GLY A 41 10.765 -3.797 -0.889 1.00 0.00 O ATOM 0 H GLY A 41 7.633 -4.934 -2.694 1.00 0.00 H new ATOM 0 HA2 GLY A 41 9.985 -4.576 -3.669 1.00 0.00 H new ATOM 0 HA3 GLY A 41 9.796 -2.947 -3.051 1.00 0.00 H new ATOM 630 N LEU A 42 9.406 -5.578 -1.085 1.00 0.00 N ATOM 631 CA LEU A 42 9.760 -6.130 0.216 1.00 0.00 C ATOM 632 C LEU A 42 9.990 -7.636 0.124 1.00 0.00 C ATOM 633 O LEU A 42 9.740 -8.372 1.079 1.00 0.00 O ATOM 634 CB LEU A 42 8.660 -5.831 1.237 1.00 0.00 C ATOM 635 CG LEU A 42 8.269 -4.357 1.352 1.00 0.00 C ATOM 636 CD1 LEU A 42 6.773 -4.216 1.586 1.00 0.00 C ATOM 637 CD2 LEU A 42 9.052 -3.685 2.472 1.00 0.00 C ATOM 0 H LEU A 42 8.723 -6.129 -1.605 1.00 0.00 H new ATOM 0 HA LEU A 42 10.687 -5.659 0.543 1.00 0.00 H new ATOM 0 HB2 LEU A 42 7.773 -6.407 0.973 1.00 0.00 H new ATOM 0 HB3 LEU A 42 8.988 -6.182 2.215 1.00 0.00 H new ATOM 0 HG LEU A 42 8.516 -3.861 0.413 1.00 0.00 H new ATOM 0 HD11 LEU A 42 6.515 -3.160 1.665 1.00 0.00 H new ATOM 0 HD12 LEU A 42 6.231 -4.661 0.751 1.00 0.00 H new ATOM 0 HD13 LEU A 42 6.499 -4.726 2.509 1.00 0.00 H new ATOM 0 HD21 LEU A 42 8.762 -2.637 2.540 1.00 0.00 H new ATOM 0 HD22 LEU A 42 8.836 -4.184 3.417 1.00 0.00 H new ATOM 0 HD23 LEU A 42 10.119 -3.753 2.261 1.00 0.00 H new ATOM 649 N GLY A 43 10.467 -8.087 -1.031 1.00 0.00 N ATOM 650 CA GLY A 43 10.723 -9.502 -1.228 1.00 0.00 C ATOM 651 C GLY A 43 11.851 -10.015 -0.355 1.00 0.00 C ATOM 652 O GLY A 43 11.886 -11.195 -0.004 1.00 0.00 O ATOM 0 H GLY A 43 10.681 -7.497 -1.835 1.00 0.00 H new ATOM 0 HA2 GLY A 43 9.815 -10.066 -1.012 1.00 0.00 H new ATOM 0 HA3 GLY A 43 10.968 -9.681 -2.275 1.00 0.00 H new ATOM 656 N ILE A 44 12.777 -9.128 -0.003 1.00 0.00 N ATOM 657 CA ILE A 44 13.911 -9.500 0.833 1.00 0.00 C ATOM 658 C ILE A 44 13.467 -9.787 2.265 1.00 0.00 C ATOM 659 O ILE A 44 14.067 -10.608 2.958 1.00 0.00 O ATOM 660 CB ILE A 44 14.989 -8.396 0.843 1.00 0.00 C ATOM 661 CG1 ILE A 44 16.215 -8.849 1.640 1.00 0.00 C ATOM 662 CG2 ILE A 44 14.422 -7.103 1.414 1.00 0.00 C ATOM 663 CD1 ILE A 44 17.432 -9.113 0.779 1.00 0.00 C ATOM 0 H ILE A 44 12.763 -8.148 -0.284 1.00 0.00 H new ATOM 0 HA ILE A 44 14.340 -10.406 0.404 1.00 0.00 H new ATOM 0 HB ILE A 44 15.301 -8.208 -0.184 1.00 0.00 H new ATOM 0 HG12 ILE A 44 16.461 -8.086 2.378 1.00 0.00 H new ATOM 0 HG13 ILE A 44 15.966 -9.756 2.190 1.00 0.00 H new ATOM 0 HG21 ILE A 44 15.196 -6.335 1.414 1.00 0.00 H new ATOM 0 HG22 ILE A 44 13.582 -6.773 0.802 1.00 0.00 H new ATOM 0 HG23 ILE A 44 14.082 -7.275 2.435 1.00 0.00 H new ATOM 0 HD11 ILE A 44 18.262 -9.430 1.410 1.00 0.00 H new ATOM 0 HD12 ILE A 44 17.204 -9.898 0.058 1.00 0.00 H new ATOM 0 HD13 ILE A 44 17.707 -8.201 0.248 1.00 0.00 H new ATOM 675 N LEU A 45 12.413 -9.106 2.702 1.00 0.00 N ATOM 676 CA LEU A 45 11.889 -9.291 4.050 1.00 0.00 C ATOM 677 C LEU A 45 10.618 -10.134 4.031 1.00 0.00 C ATOM 678 O LEU A 45 9.745 -9.976 4.883 1.00 0.00 O ATOM 679 CB LEU A 45 11.604 -7.936 4.702 1.00 0.00 C ATOM 680 CG LEU A 45 12.693 -6.881 4.508 1.00 0.00 C ATOM 681 CD1 LEU A 45 12.123 -5.484 4.695 1.00 0.00 C ATOM 682 CD2 LEU A 45 13.846 -7.122 5.472 1.00 0.00 C ATOM 0 H LEU A 45 11.905 -8.421 2.142 1.00 0.00 H new ATOM 0 HA LEU A 45 12.644 -9.817 4.634 1.00 0.00 H new ATOM 0 HB2 LEU A 45 10.668 -7.547 4.301 1.00 0.00 H new ATOM 0 HB3 LEU A 45 11.454 -8.089 5.771 1.00 0.00 H new ATOM 0 HG LEU A 45 13.073 -6.962 3.490 1.00 0.00 H new ATOM 0 HD11 LEU A 45 12.913 -4.747 4.553 1.00 0.00 H new ATOM 0 HD12 LEU A 45 11.332 -5.313 3.965 1.00 0.00 H new ATOM 0 HD13 LEU A 45 11.715 -5.389 5.701 1.00 0.00 H new ATOM 0 HD21 LEU A 45 14.612 -6.362 5.320 1.00 0.00 H new ATOM 0 HD22 LEU A 45 13.480 -7.069 6.497 1.00 0.00 H new ATOM 0 HD23 LEU A 45 14.272 -8.108 5.290 1.00 0.00 H new ATOM 694 N ASN A 46 10.520 -11.028 3.052 1.00 0.00 N ATOM 695 CA ASN A 46 9.354 -11.894 2.922 1.00 0.00 C ATOM 696 C ASN A 46 9.271 -12.874 4.089 1.00 0.00 C ATOM 697 O ASN A 46 8.181 -13.254 4.517 1.00 0.00 O ATOM 698 CB ASN A 46 9.406 -12.660 1.599 1.00 0.00 C ATOM 699 CG ASN A 46 8.054 -12.729 0.917 1.00 0.00 C ATOM 700 OD1 ASN A 46 7.070 -13.180 1.505 1.00 0.00 O ATOM 701 ND2 ASN A 46 7.997 -12.280 -0.331 1.00 0.00 N ATOM 0 H ASN A 46 11.234 -11.171 2.338 1.00 0.00 H new ATOM 0 HA ASN A 46 8.463 -11.266 2.935 1.00 0.00 H new ATOM 0 HB2 ASN A 46 10.122 -12.180 0.932 1.00 0.00 H new ATOM 0 HB3 ASN A 46 9.770 -13.671 1.782 1.00 0.00 H new ATOM 0 HD21 ASN A 46 7.114 -12.300 -0.840 1.00 0.00 H new ATOM 0 HD22 ASN A 46 8.837 -11.915 -0.780 1.00 0.00 H new ATOM 708 N ASN A 47 10.429 -13.279 4.599 1.00 0.00 N ATOM 709 CA ASN A 47 10.487 -14.214 5.717 1.00 0.00 C ATOM 710 C ASN A 47 10.077 -13.533 7.018 1.00 0.00 C ATOM 711 O ASN A 47 9.469 -14.153 7.891 1.00 0.00 O ATOM 712 CB ASN A 47 11.896 -14.794 5.851 1.00 0.00 C ATOM 713 CG ASN A 47 11.939 -16.000 6.769 1.00 0.00 C ATOM 714 OD1 ASN A 47 12.596 -15.980 7.809 1.00 0.00 O ATOM 715 ND2 ASN A 47 11.237 -17.060 6.385 1.00 0.00 N ATOM 0 H ASN A 47 11.340 -12.975 4.256 1.00 0.00 H new ATOM 0 HA ASN A 47 9.786 -15.025 5.517 1.00 0.00 H new ATOM 0 HB2 ASN A 47 12.265 -15.078 4.865 1.00 0.00 H new ATOM 0 HB3 ASN A 47 12.568 -14.025 6.233 1.00 0.00 H new ATOM 0 HD21 ASN A 47 11.228 -17.902 6.961 1.00 0.00 H new ATOM 0 HD22 ASN A 47 10.706 -17.032 5.514 1.00 0.00 H new ATOM 722 N ALA A 48 10.415 -12.253 7.142 1.00 0.00 N ATOM 723 CA ALA A 48 10.082 -11.487 8.337 1.00 0.00 C ATOM 724 C ALA A 48 8.572 -11.421 8.544 1.00 0.00 C ATOM 725 O ALA A 48 8.094 -11.353 9.675 1.00 0.00 O ATOM 726 CB ALA A 48 10.666 -10.086 8.244 1.00 0.00 C ATOM 0 H ALA A 48 10.919 -11.725 6.430 1.00 0.00 H new ATOM 0 HA ALA A 48 10.518 -11.994 9.198 1.00 0.00 H new ATOM 0 HB1 ALA A 48 10.410 -9.525 9.143 1.00 0.00 H new ATOM 0 HB2 ALA A 48 11.750 -10.149 8.152 1.00 0.00 H new ATOM 0 HB3 ALA A 48 10.257 -9.579 7.370 1.00 0.00 H new ATOM 732 N PHE A 49 7.828 -11.442 7.442 1.00 0.00 N ATOM 733 CA PHE A 49 6.372 -11.386 7.503 1.00 0.00 C ATOM 734 C PHE A 49 5.779 -12.782 7.651 1.00 0.00 C ATOM 735 O PHE A 49 4.763 -12.968 8.323 1.00 0.00 O ATOM 736 CB PHE A 49 5.813 -10.714 6.246 1.00 0.00 C ATOM 737 CG PHE A 49 6.556 -9.470 5.846 1.00 0.00 C ATOM 738 CD1 PHE A 49 6.723 -8.428 6.744 1.00 0.00 C ATOM 739 CD2 PHE A 49 7.086 -9.345 4.572 1.00 0.00 C ATOM 740 CE1 PHE A 49 7.405 -7.283 6.378 1.00 0.00 C ATOM 741 CE2 PHE A 49 7.769 -8.203 4.201 1.00 0.00 C ATOM 742 CZ PHE A 49 7.929 -7.171 5.105 1.00 0.00 C ATOM 0 H PHE A 49 8.209 -11.497 6.498 1.00 0.00 H new ATOM 0 HA PHE A 49 6.093 -10.797 8.377 1.00 0.00 H new ATOM 0 HB2 PHE A 49 5.842 -11.425 5.421 1.00 0.00 H new ATOM 0 HB3 PHE A 49 4.766 -10.463 6.414 1.00 0.00 H new ATOM 0 HD1 PHE A 49 6.316 -8.512 7.741 1.00 0.00 H new ATOM 0 HD2 PHE A 49 6.964 -10.149 3.861 1.00 0.00 H new ATOM 0 HE1 PHE A 49 7.528 -6.477 7.086 1.00 0.00 H new ATOM 0 HE2 PHE A 49 8.178 -8.117 3.205 1.00 0.00 H new ATOM 0 HZ PHE A 49 8.463 -6.278 4.817 1.00 0.00 H new ATOM 752 N ARG A 50 6.416 -13.762 7.019 1.00 0.00 N ATOM 753 CA ARG A 50 5.950 -15.143 7.080 1.00 0.00 C ATOM 754 C ARG A 50 5.938 -15.651 8.518 1.00 0.00 C ATOM 755 O ARG A 50 5.073 -16.438 8.901 1.00 0.00 O ATOM 756 CB ARG A 50 6.836 -16.041 6.213 1.00 0.00 C ATOM 757 CG ARG A 50 6.054 -17.014 5.347 1.00 0.00 C ATOM 758 CD ARG A 50 6.747 -17.257 4.016 1.00 0.00 C ATOM 759 NE ARG A 50 6.284 -18.485 3.374 1.00 0.00 N ATOM 760 CZ ARG A 50 6.775 -18.952 2.228 1.00 0.00 C ATOM 761 NH1 ARG A 50 7.741 -18.297 1.596 1.00 0.00 N ATOM 762 NH2 ARG A 50 6.298 -20.076 1.712 1.00 0.00 N ATOM 0 H ARG A 50 7.257 -13.626 6.458 1.00 0.00 H new ATOM 0 HA ARG A 50 4.930 -15.174 6.697 1.00 0.00 H new ATOM 0 HB2 ARG A 50 7.456 -15.415 5.572 1.00 0.00 H new ATOM 0 HB3 ARG A 50 7.511 -16.603 6.858 1.00 0.00 H new ATOM 0 HG2 ARG A 50 5.937 -17.960 5.876 1.00 0.00 H new ATOM 0 HG3 ARG A 50 5.052 -16.622 5.171 1.00 0.00 H new ATOM 0 HD2 ARG A 50 6.566 -16.411 3.353 1.00 0.00 H new ATOM 0 HD3 ARG A 50 7.824 -17.314 4.173 1.00 0.00 H new ATOM 0 HE ARG A 50 5.542 -19.015 3.830 1.00 0.00 H new ATOM 0 HH11 ARG A 50 8.111 -17.431 1.988 1.00 0.00 H new ATOM 0 HH12 ARG A 50 8.113 -18.660 0.718 1.00 0.00 H new ATOM 0 HH21 ARG A 50 5.555 -20.583 2.193 1.00 0.00 H new ATOM 0 HH22 ARG A 50 6.674 -20.434 0.834 1.00 0.00 H new ATOM 776 N LEU A 51 6.905 -15.198 9.309 1.00 0.00 N ATOM 777 CA LEU A 51 7.004 -15.609 10.705 1.00 0.00 C ATOM 778 C LEU A 51 5.838 -15.058 11.520 1.00 0.00 C ATOM 779 O LEU A 51 5.304 -15.738 12.396 1.00 0.00 O ATOM 780 CB LEU A 51 8.329 -15.134 11.305 1.00 0.00 C ATOM 781 CG LEU A 51 9.578 -15.786 10.708 1.00 0.00 C ATOM 782 CD1 LEU A 51 10.829 -15.292 11.419 1.00 0.00 C ATOM 783 CD2 LEU A 51 9.478 -17.302 10.793 1.00 0.00 C ATOM 0 H LEU A 51 7.630 -14.547 9.008 1.00 0.00 H new ATOM 0 HA LEU A 51 6.965 -16.698 10.740 1.00 0.00 H new ATOM 0 HB2 LEU A 51 8.403 -14.054 11.175 1.00 0.00 H new ATOM 0 HB3 LEU A 51 8.315 -15.326 12.378 1.00 0.00 H new ATOM 0 HG LEU A 51 9.647 -15.504 9.657 1.00 0.00 H new ATOM 0 HD11 LEU A 51 11.707 -15.766 10.981 1.00 0.00 H new ATOM 0 HD12 LEU A 51 10.907 -14.210 11.308 1.00 0.00 H new ATOM 0 HD13 LEU A 51 10.770 -15.545 12.478 1.00 0.00 H new ATOM 0 HD21 LEU A 51 10.374 -17.750 10.364 1.00 0.00 H new ATOM 0 HD22 LEU A 51 9.386 -17.603 11.837 1.00 0.00 H new ATOM 0 HD23 LEU A 51 8.602 -17.640 10.239 1.00 0.00 H new ATOM 795 N SER A 52 5.446 -13.823 11.224 1.00 0.00 N ATOM 796 CA SER A 52 4.341 -13.183 11.928 1.00 0.00 C ATOM 797 C SER A 52 3.022 -13.890 11.628 1.00 0.00 C ATOM 798 O SER A 52 2.849 -14.468 10.554 1.00 0.00 O ATOM 799 CB SER A 52 4.244 -11.708 11.536 1.00 0.00 C ATOM 800 OG SER A 52 5.114 -10.912 12.322 1.00 0.00 O ATOM 0 H SER A 52 5.877 -13.246 10.502 1.00 0.00 H new ATOM 0 HA SER A 52 4.535 -13.254 12.998 1.00 0.00 H new ATOM 0 HB2 SER A 52 4.494 -11.592 10.481 1.00 0.00 H new ATOM 0 HB3 SER A 52 3.218 -11.362 11.661 1.00 0.00 H new ATOM 0 HG SER A 52 5.155 -10.007 11.949 1.00 0.00 H new ATOM 806 N PRO A 53 2.070 -13.853 12.577 1.00 0.00 N ATOM 807 CA PRO A 53 0.762 -14.494 12.408 1.00 0.00 C ATOM 808 C PRO A 53 0.076 -14.075 11.111 1.00 0.00 C ATOM 809 O PRO A 53 -0.419 -14.915 10.359 1.00 0.00 O ATOM 810 CB PRO A 53 -0.036 -14.004 13.617 1.00 0.00 C ATOM 811 CG PRO A 53 0.993 -13.682 14.644 1.00 0.00 C ATOM 812 CD PRO A 53 2.193 -13.186 13.886 1.00 0.00 C ATOM 0 HA PRO A 53 0.845 -15.579 12.349 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -0.634 -13.128 13.368 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -0.725 -14.770 13.973 1.00 0.00 H new ATOM 0 HG2 PRO A 53 0.629 -12.924 15.337 1.00 0.00 H new ATOM 0 HG3 PRO A 53 1.242 -14.562 15.236 1.00 0.00 H new ATOM 0 HD2 PRO A 53 2.185 -12.101 13.786 1.00 0.00 H new ATOM 0 HD3 PRO A 53 3.123 -13.453 14.387 1.00 0.00 H new ATOM 820 N ALA A 54 0.049 -12.770 10.857 1.00 0.00 N ATOM 821 CA ALA A 54 -0.576 -12.239 9.652 1.00 0.00 C ATOM 822 C ALA A 54 0.435 -11.473 8.802 1.00 0.00 C ATOM 823 O ALA A 54 0.565 -10.256 8.924 1.00 0.00 O ATOM 824 CB ALA A 54 -1.749 -11.341 10.018 1.00 0.00 C ATOM 0 H ALA A 54 0.453 -12.062 11.470 1.00 0.00 H new ATOM 0 HA ALA A 54 -0.945 -13.078 9.063 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -2.206 -10.951 9.109 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -2.487 -11.916 10.578 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -1.395 -10.512 10.630 1.00 0.00 H new ATOM 830 N PRO A 55 1.166 -12.181 7.923 1.00 0.00 N ATOM 831 CA PRO A 55 2.168 -11.562 7.051 1.00 0.00 C ATOM 832 C PRO A 55 1.613 -10.365 6.288 1.00 0.00 C ATOM 833 O PRO A 55 2.329 -9.399 6.022 1.00 0.00 O ATOM 834 CB PRO A 55 2.540 -12.687 6.083 1.00 0.00 C ATOM 835 CG PRO A 55 2.255 -13.941 6.834 1.00 0.00 C ATOM 836 CD PRO A 55 1.073 -13.639 7.713 1.00 0.00 C ATOM 0 HA PRO A 55 3.014 -11.171 7.617 1.00 0.00 H new ATOM 0 HB2 PRO A 55 1.952 -12.632 5.167 1.00 0.00 H new ATOM 0 HB3 PRO A 55 3.589 -12.629 5.793 1.00 0.00 H new ATOM 0 HG2 PRO A 55 2.034 -14.762 6.152 1.00 0.00 H new ATOM 0 HG3 PRO A 55 3.117 -14.244 7.429 1.00 0.00 H new ATOM 0 HD2 PRO A 55 0.134 -13.917 7.233 1.00 0.00 H new ATOM 0 HD3 PRO A 55 1.123 -14.185 8.655 1.00 0.00 H new ATOM 844 N SER A 56 0.333 -10.433 5.938 1.00 0.00 N ATOM 845 CA SER A 56 -0.319 -9.354 5.207 1.00 0.00 C ATOM 846 C SER A 56 -0.378 -8.084 6.050 1.00 0.00 C ATOM 847 O SER A 56 -0.284 -6.975 5.526 1.00 0.00 O ATOM 848 CB SER A 56 -1.731 -9.771 4.791 1.00 0.00 C ATOM 849 OG SER A 56 -2.275 -10.709 5.703 1.00 0.00 O ATOM 0 H SER A 56 -0.274 -11.225 6.149 1.00 0.00 H new ATOM 0 HA SER A 56 0.269 -9.148 4.313 1.00 0.00 H new ATOM 0 HB2 SER A 56 -2.374 -8.892 4.742 1.00 0.00 H new ATOM 0 HB3 SER A 56 -1.706 -10.204 3.791 1.00 0.00 H new ATOM 0 HG SER A 56 -3.178 -10.958 5.416 1.00 0.00 H new ATOM 855 N LYS A 57 -0.533 -8.256 7.359 1.00 0.00 N ATOM 856 CA LYS A 57 -0.604 -7.124 8.275 1.00 0.00 C ATOM 857 C LYS A 57 0.787 -6.570 8.564 1.00 0.00 C ATOM 858 O LYS A 57 0.986 -5.356 8.607 1.00 0.00 O ATOM 859 CB LYS A 57 -1.281 -7.542 9.582 1.00 0.00 C ATOM 860 CG LYS A 57 -2.000 -6.403 10.285 1.00 0.00 C ATOM 861 CD LYS A 57 -3.146 -6.913 11.145 1.00 0.00 C ATOM 862 CE LYS A 57 -4.217 -7.587 10.305 1.00 0.00 C ATOM 863 NZ LYS A 57 -5.588 -7.197 10.734 1.00 0.00 N ATOM 0 H LYS A 57 -0.612 -9.168 7.809 1.00 0.00 H new ATOM 0 HA LYS A 57 -1.196 -6.341 7.801 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -1.996 -8.338 9.373 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -0.530 -7.957 10.254 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -1.293 -5.854 10.907 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -2.384 -5.702 9.544 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -2.763 -7.619 11.882 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -3.585 -6.082 11.697 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -4.076 -7.323 9.257 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -4.108 -8.669 10.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -6.289 -7.679 10.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -5.733 -7.472 11.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -5.701 -6.167 10.640 1.00 0.00 H new ATOM 877 N THR A 58 1.748 -7.467 8.761 1.00 0.00 N ATOM 878 CA THR A 58 3.120 -7.066 9.045 1.00 0.00 C ATOM 879 C THR A 58 3.712 -6.285 7.876 1.00 0.00 C ATOM 880 O THR A 58 4.548 -5.401 8.066 1.00 0.00 O ATOM 881 CB THR A 58 3.982 -8.295 9.339 1.00 0.00 C ATOM 882 OG1 THR A 58 3.285 -9.209 10.167 1.00 0.00 O ATOM 883 CG2 THR A 58 5.289 -7.959 10.024 1.00 0.00 C ATOM 0 H THR A 58 1.601 -8.476 8.729 1.00 0.00 H new ATOM 0 HA THR A 58 3.108 -6.419 9.922 1.00 0.00 H new ATOM 0 HB THR A 58 4.203 -8.733 8.366 1.00 0.00 H new ATOM 0 HG1 THR A 58 3.051 -10.007 9.649 1.00 0.00 H new ATOM 0 HG21 THR A 58 5.852 -8.875 10.204 1.00 0.00 H new ATOM 0 HG22 THR A 58 5.873 -7.293 9.388 1.00 0.00 H new ATOM 0 HG23 THR A 58 5.085 -7.466 10.975 1.00 0.00 H new ATOM 891 N LEU A 59 3.273 -6.617 6.666 1.00 0.00 N ATOM 892 CA LEU A 59 3.759 -5.946 5.466 1.00 0.00 C ATOM 893 C LEU A 59 3.435 -4.456 5.506 1.00 0.00 C ATOM 894 O LEU A 59 4.311 -3.614 5.310 1.00 0.00 O ATOM 895 CB LEU A 59 3.144 -6.580 4.217 1.00 0.00 C ATOM 896 CG LEU A 59 3.935 -6.366 2.926 1.00 0.00 C ATOM 897 CD1 LEU A 59 5.265 -7.100 2.987 1.00 0.00 C ATOM 898 CD2 LEU A 59 3.125 -6.824 1.723 1.00 0.00 C ATOM 0 H LEU A 59 2.582 -7.346 6.491 1.00 0.00 H new ATOM 0 HA LEU A 59 4.842 -6.063 5.429 1.00 0.00 H new ATOM 0 HB2 LEU A 59 3.038 -7.651 4.387 1.00 0.00 H new ATOM 0 HB3 LEU A 59 2.140 -6.178 4.081 1.00 0.00 H new ATOM 0 HG LEU A 59 4.137 -5.300 2.818 1.00 0.00 H new ATOM 0 HD11 LEU A 59 5.814 -6.936 2.060 1.00 0.00 H new ATOM 0 HD12 LEU A 59 5.850 -6.724 3.826 1.00 0.00 H new ATOM 0 HD13 LEU A 59 5.086 -8.167 3.119 1.00 0.00 H new ATOM 0 HD21 LEU A 59 3.703 -6.664 0.813 1.00 0.00 H new ATOM 0 HD22 LEU A 59 2.892 -7.884 1.824 1.00 0.00 H new ATOM 0 HD23 LEU A 59 2.199 -6.252 1.669 1.00 0.00 H new ATOM 910 N MET A 60 2.171 -4.137 5.764 1.00 0.00 N ATOM 911 CA MET A 60 1.732 -2.748 5.831 1.00 0.00 C ATOM 912 C MET A 60 2.434 -2.010 6.966 1.00 0.00 C ATOM 913 O MET A 60 2.682 -0.807 6.878 1.00 0.00 O ATOM 914 CB MET A 60 0.216 -2.679 6.024 1.00 0.00 C ATOM 915 CG MET A 60 -0.571 -2.891 4.740 1.00 0.00 C ATOM 916 SD MET A 60 -0.415 -1.507 3.595 1.00 0.00 S ATOM 917 CE MET A 60 -1.611 -1.967 2.343 1.00 0.00 C ATOM 0 H MET A 60 1.433 -4.821 5.930 1.00 0.00 H new ATOM 0 HA MET A 60 1.994 -2.265 4.890 1.00 0.00 H new ATOM 0 HB2 MET A 60 -0.084 -3.432 6.753 1.00 0.00 H new ATOM 0 HB3 MET A 60 -0.045 -1.708 6.444 1.00 0.00 H new ATOM 0 HG2 MET A 60 -0.225 -3.802 4.252 1.00 0.00 H new ATOM 0 HG3 MET A 60 -1.623 -3.040 4.983 1.00 0.00 H new ATOM 0 HE1 MET A 60 -2.154 -1.080 2.015 1.00 0.00 H new ATOM 0 HE2 MET A 60 -1.094 -2.411 1.492 1.00 0.00 H new ATOM 0 HE3 MET A 60 -2.313 -2.689 2.759 1.00 0.00 H new ATOM 927 N ASP A 61 2.752 -2.738 8.032 1.00 0.00 N ATOM 928 CA ASP A 61 3.427 -2.152 9.184 1.00 0.00 C ATOM 929 C ASP A 61 4.877 -1.817 8.852 1.00 0.00 C ATOM 930 O ASP A 61 5.437 -0.853 9.376 1.00 0.00 O ATOM 931 CB ASP A 61 3.370 -3.111 10.376 1.00 0.00 C ATOM 932 CG ASP A 61 2.343 -2.689 11.409 1.00 0.00 C ATOM 933 OD1 ASP A 61 1.135 -2.722 11.092 1.00 0.00 O ATOM 934 OD2 ASP A 61 2.746 -2.327 12.534 1.00 0.00 O ATOM 0 H ASP A 61 2.553 -3.734 8.122 1.00 0.00 H new ATOM 0 HA ASP A 61 2.912 -1.228 9.446 1.00 0.00 H new ATOM 0 HB2 ASP A 61 3.133 -4.114 10.021 1.00 0.00 H new ATOM 0 HB3 ASP A 61 4.353 -3.163 10.845 1.00 0.00 H new ATOM 939 N ASN A 62 5.479 -2.616 7.979 1.00 0.00 N ATOM 940 CA ASN A 62 6.864 -2.404 7.577 1.00 0.00 C ATOM 941 C ASN A 62 6.946 -1.453 6.386 1.00 0.00 C ATOM 942 O ASN A 62 7.867 -0.643 6.289 1.00 0.00 O ATOM 943 CB ASN A 62 7.525 -3.738 7.224 1.00 0.00 C ATOM 944 CG ASN A 62 8.082 -4.448 8.443 1.00 0.00 C ATOM 945 OD1 ASN A 62 9.295 -4.594 8.591 1.00 0.00 O ATOM 946 ND2 ASN A 62 7.195 -4.894 9.325 1.00 0.00 N ATOM 0 H ASN A 62 5.029 -3.417 7.536 1.00 0.00 H new ATOM 0 HA ASN A 62 7.394 -1.954 8.416 1.00 0.00 H new ATOM 0 HB2 ASN A 62 6.796 -4.383 6.733 1.00 0.00 H new ATOM 0 HB3 ASN A 62 8.329 -3.564 6.509 1.00 0.00 H new ATOM 0 HD21 ASN A 62 7.511 -5.379 10.165 1.00 0.00 H new ATOM 0 HD22 ASN A 62 6.198 -4.751 9.163 1.00 0.00 H new ATOM 953 N TYR A 63 5.976 -1.559 5.484 1.00 0.00 N ATOM 954 CA TYR A 63 5.938 -0.709 4.301 1.00 0.00 C ATOM 955 C TYR A 63 5.788 0.758 4.689 1.00 0.00 C ATOM 956 O TYR A 63 6.280 1.648 3.994 1.00 0.00 O ATOM 957 CB TYR A 63 4.786 -1.125 3.383 1.00 0.00 C ATOM 958 CG TYR A 63 4.981 -0.715 1.941 1.00 0.00 C ATOM 959 CD1 TYR A 63 6.198 -0.912 1.302 1.00 0.00 C ATOM 960 CD2 TYR A 63 3.948 -0.130 1.220 1.00 0.00 C ATOM 961 CE1 TYR A 63 6.381 -0.537 -0.016 1.00 0.00 C ATOM 962 CE2 TYR A 63 4.122 0.247 -0.099 1.00 0.00 C ATOM 963 CZ TYR A 63 5.341 0.041 -0.711 1.00 0.00 C ATOM 964 OH TYR A 63 5.517 0.415 -2.024 1.00 0.00 O ATOM 0 H TYR A 63 5.206 -2.225 5.550 1.00 0.00 H new ATOM 0 HA TYR A 63 6.881 -0.831 3.768 1.00 0.00 H new ATOM 0 HB2 TYR A 63 4.667 -2.207 3.431 1.00 0.00 H new ATOM 0 HB3 TYR A 63 3.860 -0.686 3.755 1.00 0.00 H new ATOM 0 HD1 TYR A 63 7.015 -1.366 1.844 1.00 0.00 H new ATOM 0 HD2 TYR A 63 2.993 0.033 1.697 1.00 0.00 H new ATOM 0 HE1 TYR A 63 7.334 -0.696 -0.498 1.00 0.00 H new ATOM 0 HE2 TYR A 63 3.309 0.700 -0.647 1.00 0.00 H new ATOM 0 HH TYR A 63 4.686 0.805 -2.367 1.00 0.00 H new ATOM 974 N GLU A 64 5.107 1.004 5.802 1.00 0.00 N ATOM 975 CA GLU A 64 4.893 2.364 6.284 1.00 0.00 C ATOM 976 C GLU A 64 6.188 2.957 6.831 1.00 0.00 C ATOM 977 O GLU A 64 6.420 4.162 6.736 1.00 0.00 O ATOM 978 CB GLU A 64 3.813 2.382 7.367 1.00 0.00 C ATOM 979 CG GLU A 64 3.417 3.781 7.809 1.00 0.00 C ATOM 980 CD GLU A 64 2.441 3.771 8.970 1.00 0.00 C ATOM 981 OE1 GLU A 64 1.549 2.897 8.988 1.00 0.00 O ATOM 982 OE2 GLU A 64 2.569 4.638 9.860 1.00 0.00 O ATOM 0 H GLU A 64 4.693 0.279 6.388 1.00 0.00 H new ATOM 0 HA GLU A 64 4.562 2.972 5.442 1.00 0.00 H new ATOM 0 HB2 GLU A 64 2.929 1.864 6.995 1.00 0.00 H new ATOM 0 HB3 GLU A 64 4.169 1.824 8.233 1.00 0.00 H new ATOM 0 HG2 GLU A 64 4.311 4.334 8.096 1.00 0.00 H new ATOM 0 HG3 GLU A 64 2.970 4.311 6.968 1.00 0.00 H new ATOM 989 N VAL A 65 7.028 2.101 7.404 1.00 0.00 N ATOM 990 CA VAL A 65 8.300 2.539 7.967 1.00 0.00 C ATOM 991 C VAL A 65 9.188 3.163 6.896 1.00 0.00 C ATOM 992 O VAL A 65 9.933 4.106 7.165 1.00 0.00 O ATOM 993 CB VAL A 65 9.054 1.370 8.626 1.00 0.00 C ATOM 994 CG1 VAL A 65 10.278 1.876 9.373 1.00 0.00 C ATOM 995 CG2 VAL A 65 8.132 0.598 9.559 1.00 0.00 C ATOM 0 H VAL A 65 6.851 1.100 7.491 1.00 0.00 H new ATOM 0 HA VAL A 65 8.070 3.287 8.726 1.00 0.00 H new ATOM 0 HB VAL A 65 9.391 0.692 7.842 1.00 0.00 H new ATOM 0 HG11 VAL A 65 10.798 1.035 9.832 1.00 0.00 H new ATOM 0 HG12 VAL A 65 10.948 2.379 8.676 1.00 0.00 H new ATOM 0 HG13 VAL A 65 9.967 2.577 10.148 1.00 0.00 H new ATOM 0 HG21 VAL A 65 8.682 -0.225 10.016 1.00 0.00 H new ATOM 0 HG22 VAL A 65 7.762 1.264 10.338 1.00 0.00 H new ATOM 0 HG23 VAL A 65 7.290 0.201 8.992 1.00 0.00 H new ATOM 1005 N SER A 66 9.106 2.631 5.681 1.00 0.00 N ATOM 1006 CA SER A 66 9.903 3.137 4.570 1.00 0.00 C ATOM 1007 C SER A 66 9.085 4.086 3.700 1.00 0.00 C ATOM 1008 O SER A 66 9.294 4.170 2.490 1.00 0.00 O ATOM 1009 CB SER A 66 10.431 1.976 3.724 1.00 0.00 C ATOM 1010 OG SER A 66 11.742 2.241 3.256 1.00 0.00 O ATOM 0 H SER A 66 8.496 1.850 5.441 1.00 0.00 H new ATOM 0 HA SER A 66 10.747 3.690 4.983 1.00 0.00 H new ATOM 0 HB2 SER A 66 10.431 1.061 4.316 1.00 0.00 H new ATOM 0 HB3 SER A 66 9.766 1.807 2.877 1.00 0.00 H new ATOM 0 HG SER A 66 12.057 1.484 2.720 1.00 0.00 H new ATOM 1016 N GLY A 67 8.152 4.796 4.325 1.00 0.00 N ATOM 1017 CA GLY A 67 7.316 5.729 3.592 1.00 0.00 C ATOM 1018 C GLY A 67 5.979 5.129 3.203 1.00 0.00 C ATOM 1019 O GLY A 67 4.939 5.518 3.735 1.00 0.00 O ATOM 0 H GLY A 67 7.960 4.742 5.325 1.00 0.00 H new ATOM 0 HA2 GLY A 67 7.148 6.617 4.201 1.00 0.00 H new ATOM 0 HA3 GLY A 67 7.841 6.053 2.693 1.00 0.00 H new ATOM 1023 N GLY A 68 6.007 4.178 2.276 1.00 0.00 N ATOM 1024 CA GLY A 68 4.783 3.539 1.832 1.00 0.00 C ATOM 1025 C GLY A 68 3.906 4.467 1.016 1.00 0.00 C ATOM 1026 O GLY A 68 3.239 5.344 1.565 1.00 0.00 O ATOM 0 H GLY A 68 6.856 3.838 1.824 1.00 0.00 H new ATOM 0 HA2 GLY A 68 5.031 2.661 1.235 1.00 0.00 H new ATOM 0 HA3 GLY A 68 4.225 3.187 2.700 1.00 0.00 H new ATOM 1030 N THR A 69 3.905 4.275 -0.299 1.00 0.00 N ATOM 1031 CA THR A 69 3.104 5.101 -1.193 1.00 0.00 C ATOM 1032 C THR A 69 1.861 4.351 -1.661 1.00 0.00 C ATOM 1033 O THR A 69 1.901 3.140 -1.882 1.00 0.00 O ATOM 1034 CB THR A 69 3.935 5.537 -2.401 1.00 0.00 C ATOM 1035 OG1 THR A 69 4.821 4.505 -2.798 1.00 0.00 O ATOM 1036 CG2 THR A 69 4.762 6.777 -2.142 1.00 0.00 C ATOM 0 H THR A 69 4.451 3.553 -0.769 1.00 0.00 H new ATOM 0 HA THR A 69 2.786 5.985 -0.641 1.00 0.00 H new ATOM 0 HB THR A 69 3.211 5.760 -3.185 1.00 0.00 H new ATOM 0 HG1 THR A 69 5.460 4.856 -3.452 1.00 0.00 H new ATOM 0 HG21 THR A 69 5.327 7.032 -3.039 1.00 0.00 H new ATOM 0 HG22 THR A 69 4.104 7.605 -1.881 1.00 0.00 H new ATOM 0 HG23 THR A 69 5.452 6.589 -1.320 1.00 0.00 H new ATOM 1044 N VAL A 70 0.759 5.077 -1.809 1.00 0.00 N ATOM 1045 CA VAL A 70 -0.497 4.480 -2.249 1.00 0.00 C ATOM 1046 C VAL A 70 -0.473 4.196 -3.748 1.00 0.00 C ATOM 1047 O VAL A 70 -1.094 3.243 -4.219 1.00 0.00 O ATOM 1048 CB VAL A 70 -1.696 5.392 -1.931 1.00 0.00 C ATOM 1049 CG1 VAL A 70 -3.006 4.671 -2.213 1.00 0.00 C ATOM 1050 CG2 VAL A 70 -1.639 5.862 -0.486 1.00 0.00 C ATOM 0 H VAL A 70 0.709 6.080 -1.631 1.00 0.00 H new ATOM 0 HA VAL A 70 -0.610 3.543 -1.704 1.00 0.00 H new ATOM 0 HB VAL A 70 -1.644 6.268 -2.577 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -3.842 5.331 -1.982 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -3.047 4.388 -3.265 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -3.069 3.776 -1.594 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -2.494 6.506 -0.279 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -1.665 4.999 0.179 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -0.717 6.419 -0.321 1.00 0.00 H new ATOM 1060 N ARG A 71 0.247 5.029 -4.492 1.00 0.00 N ATOM 1061 CA ARG A 71 0.351 4.868 -5.937 1.00 0.00 C ATOM 1062 C ARG A 71 0.970 3.519 -6.290 1.00 0.00 C ATOM 1063 O ARG A 71 0.599 2.896 -7.285 1.00 0.00 O ATOM 1064 CB ARG A 71 1.187 5.998 -6.539 1.00 0.00 C ATOM 1065 CG ARG A 71 0.698 6.457 -7.904 1.00 0.00 C ATOM 1066 CD ARG A 71 1.786 7.194 -8.667 1.00 0.00 C ATOM 1067 NE ARG A 71 1.620 8.645 -8.592 1.00 0.00 N ATOM 1068 CZ ARG A 71 2.195 9.501 -9.433 1.00 0.00 C ATOM 1069 NH1 ARG A 71 2.972 9.059 -10.415 1.00 0.00 N ATOM 1070 NH2 ARG A 71 1.992 10.803 -9.294 1.00 0.00 N ATOM 0 H ARG A 71 0.767 5.823 -4.118 1.00 0.00 H new ATOM 0 HA ARG A 71 -0.655 4.908 -6.355 1.00 0.00 H new ATOM 0 HB2 ARG A 71 1.180 6.847 -5.856 1.00 0.00 H new ATOM 0 HB3 ARG A 71 2.222 5.667 -6.626 1.00 0.00 H new ATOM 0 HG2 ARG A 71 0.368 5.594 -8.482 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -0.167 7.109 -7.781 1.00 0.00 H new ATOM 0 HD2 ARG A 71 2.761 6.919 -8.264 1.00 0.00 H new ATOM 0 HD3 ARG A 71 1.772 6.881 -9.711 1.00 0.00 H new ATOM 0 HE ARG A 71 1.029 9.023 -7.852 1.00 0.00 H new ATOM 0 HH11 ARG A 71 3.131 8.058 -10.528 1.00 0.00 H new ATOM 0 HH12 ARG A 71 3.410 9.721 -11.056 1.00 0.00 H new ATOM 0 HH21 ARG A 71 1.395 11.149 -8.543 1.00 0.00 H new ATOM 0 HH22 ARG A 71 2.433 11.460 -9.938 1.00 0.00 H new ATOM 1084 N GLU A 72 1.912 3.074 -5.467 1.00 0.00 N ATOM 1085 CA GLU A 72 2.583 1.799 -5.690 1.00 0.00 C ATOM 1086 C GLU A 72 1.669 0.633 -5.325 1.00 0.00 C ATOM 1087 O GLU A 72 1.746 -0.440 -5.923 1.00 0.00 O ATOM 1088 CB GLU A 72 3.872 1.727 -4.870 1.00 0.00 C ATOM 1089 CG GLU A 72 5.016 2.533 -5.464 1.00 0.00 C ATOM 1090 CD GLU A 72 5.995 1.673 -6.239 1.00 0.00 C ATOM 1091 OE1 GLU A 72 6.838 1.009 -5.599 1.00 0.00 O ATOM 1092 OE2 GLU A 72 5.919 1.663 -7.486 1.00 0.00 O ATOM 0 H GLU A 72 2.229 3.578 -4.638 1.00 0.00 H new ATOM 0 HA GLU A 72 2.830 1.727 -6.749 1.00 0.00 H new ATOM 0 HB2 GLU A 72 3.671 2.086 -3.861 1.00 0.00 H new ATOM 0 HB3 GLU A 72 4.180 0.685 -4.783 1.00 0.00 H new ATOM 0 HG2 GLU A 72 4.611 3.300 -6.124 1.00 0.00 H new ATOM 0 HG3 GLU A 72 5.546 3.049 -4.663 1.00 0.00 H new ATOM 1099 N LEU A 73 0.804 0.852 -4.340 1.00 0.00 N ATOM 1100 CA LEU A 73 -0.124 -0.180 -3.895 1.00 0.00 C ATOM 1101 C LEU A 73 -1.127 -0.519 -4.993 1.00 0.00 C ATOM 1102 O LEU A 73 -1.350 -1.690 -5.302 1.00 0.00 O ATOM 1103 CB LEU A 73 -0.865 0.279 -2.637 1.00 0.00 C ATOM 1104 CG LEU A 73 -1.619 -0.824 -1.891 1.00 0.00 C ATOM 1105 CD1 LEU A 73 -0.648 -1.861 -1.349 1.00 0.00 C ATOM 1106 CD2 LEU A 73 -2.452 -0.231 -0.764 1.00 0.00 C ATOM 0 H LEU A 73 0.727 1.735 -3.835 1.00 0.00 H new ATOM 0 HA LEU A 73 0.452 -1.076 -3.663 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -0.145 0.732 -1.955 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -1.574 1.059 -2.916 1.00 0.00 H new ATOM 0 HG LEU A 73 -2.291 -1.317 -2.593 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -1.202 -2.638 -0.822 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -0.094 -2.308 -2.175 1.00 0.00 H new ATOM 0 HD13 LEU A 73 0.049 -1.382 -0.661 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -2.982 -1.029 -0.244 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -1.798 0.288 -0.063 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -3.174 0.474 -1.177 1.00 0.00 H new ATOM 1118 N VAL A 74 -1.726 0.511 -5.581 1.00 0.00 N ATOM 1119 CA VAL A 74 -2.703 0.321 -6.645 1.00 0.00 C ATOM 1120 C VAL A 74 -2.068 -0.346 -7.861 1.00 0.00 C ATOM 1121 O VAL A 74 -2.688 -1.183 -8.516 1.00 0.00 O ATOM 1122 CB VAL A 74 -3.332 1.658 -7.078 1.00 0.00 C ATOM 1123 CG1 VAL A 74 -4.482 1.422 -8.043 1.00 0.00 C ATOM 1124 CG2 VAL A 74 -3.798 2.447 -5.863 1.00 0.00 C ATOM 0 H VAL A 74 -1.551 1.486 -5.338 1.00 0.00 H new ATOM 0 HA VAL A 74 -3.484 -0.325 -6.244 1.00 0.00 H new ATOM 0 HB VAL A 74 -2.572 2.245 -7.594 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -4.913 2.379 -8.337 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -4.114 0.903 -8.928 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -5.246 0.814 -7.557 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -4.240 3.389 -6.188 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -4.541 1.867 -5.316 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -2.947 2.651 -5.213 1.00 0.00 H new ATOM 1134 N GLU A 75 -0.828 0.031 -8.154 1.00 0.00 N ATOM 1135 CA GLU A 75 -0.107 -0.532 -9.291 1.00 0.00 C ATOM 1136 C GLU A 75 0.211 -2.006 -9.056 1.00 0.00 C ATOM 1137 O GLU A 75 0.012 -2.842 -9.937 1.00 0.00 O ATOM 1138 CB GLU A 75 1.183 0.251 -9.541 1.00 0.00 C ATOM 1139 CG GLU A 75 1.097 1.205 -10.722 1.00 0.00 C ATOM 1140 CD GLU A 75 2.101 0.879 -11.812 1.00 0.00 C ATOM 1141 OE1 GLU A 75 3.314 0.861 -11.514 1.00 0.00 O ATOM 1142 OE2 GLU A 75 1.673 0.642 -12.961 1.00 0.00 O ATOM 0 H GLU A 75 -0.301 0.723 -7.621 1.00 0.00 H new ATOM 0 HA GLU A 75 -0.745 -0.454 -10.171 1.00 0.00 H new ATOM 0 HB2 GLU A 75 1.434 0.818 -8.644 1.00 0.00 H new ATOM 0 HB3 GLU A 75 1.998 -0.453 -9.712 1.00 0.00 H new ATOM 0 HG2 GLU A 75 0.090 1.171 -11.139 1.00 0.00 H new ATOM 0 HG3 GLU A 75 1.263 2.224 -10.373 1.00 0.00 H new ATOM 1149 N ALA A 76 0.707 -2.315 -7.863 1.00 0.00 N ATOM 1150 CA ALA A 76 1.053 -3.688 -7.512 1.00 0.00 C ATOM 1151 C ALA A 76 -0.170 -4.596 -7.580 1.00 0.00 C ATOM 1152 O ALA A 76 -0.083 -5.737 -8.035 1.00 0.00 O ATOM 1153 CB ALA A 76 1.671 -3.736 -6.122 1.00 0.00 C ATOM 0 H ALA A 76 0.878 -1.634 -7.123 1.00 0.00 H new ATOM 0 HA ALA A 76 1.783 -4.050 -8.236 1.00 0.00 H new ATOM 0 HB1 ALA A 76 1.925 -4.766 -5.872 1.00 0.00 H new ATOM 0 HB2 ALA A 76 2.574 -3.125 -6.104 1.00 0.00 H new ATOM 0 HB3 ALA A 76 0.958 -3.351 -5.393 1.00 0.00 H new ATOM 1159 N LEU A 77 -1.308 -4.083 -7.126 1.00 0.00 N ATOM 1160 CA LEU A 77 -2.549 -4.849 -7.137 1.00 0.00 C ATOM 1161 C LEU A 77 -3.015 -5.112 -8.565 1.00 0.00 C ATOM 1162 O LEU A 77 -3.639 -6.136 -8.846 1.00 0.00 O ATOM 1163 CB LEU A 77 -3.639 -4.104 -6.362 1.00 0.00 C ATOM 1164 CG LEU A 77 -3.370 -3.934 -4.867 1.00 0.00 C ATOM 1165 CD1 LEU A 77 -4.275 -2.863 -4.280 1.00 0.00 C ATOM 1166 CD2 LEU A 77 -3.562 -5.256 -4.139 1.00 0.00 C ATOM 0 H LEU A 77 -1.397 -3.141 -6.746 1.00 0.00 H new ATOM 0 HA LEU A 77 -2.359 -5.808 -6.654 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -3.769 -3.117 -6.806 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -4.581 -4.637 -6.488 1.00 0.00 H new ATOM 0 HG LEU A 77 -2.336 -3.616 -4.736 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -4.069 -2.756 -3.215 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -4.089 -1.914 -4.783 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -5.317 -3.150 -4.421 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -3.367 -5.118 -3.076 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -4.586 -5.602 -4.278 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -2.871 -5.997 -4.541 1.00 0.00 H new ATOM 1178 N ARG A 78 -2.704 -4.184 -9.465 1.00 0.00 N ATOM 1179 CA ARG A 78 -3.090 -4.317 -10.864 1.00 0.00 C ATOM 1180 C ARG A 78 -2.220 -5.352 -11.571 1.00 0.00 C ATOM 1181 O ARG A 78 -2.671 -6.032 -12.493 1.00 0.00 O ATOM 1182 CB ARG A 78 -2.977 -2.968 -11.576 1.00 0.00 C ATOM 1183 CG ARG A 78 -4.257 -2.150 -11.533 1.00 0.00 C ATOM 1184 CD ARG A 78 -4.038 -0.744 -12.072 1.00 0.00 C ATOM 1185 NE ARG A 78 -3.208 0.060 -11.179 1.00 0.00 N ATOM 1186 CZ ARG A 78 -2.825 1.307 -11.446 1.00 0.00 C ATOM 1187 NH1 ARG A 78 -3.195 1.895 -12.578 1.00 0.00 N ATOM 1188 NH2 ARG A 78 -2.069 1.969 -10.580 1.00 0.00 N ATOM 0 H ARG A 78 -2.186 -3.332 -9.250 1.00 0.00 H new ATOM 0 HA ARG A 78 -4.126 -4.653 -10.899 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -2.172 -2.392 -11.120 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -2.698 -3.137 -12.616 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -5.029 -2.649 -12.119 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -4.621 -2.095 -10.507 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -3.566 -0.801 -13.053 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -5.002 -0.254 -12.210 1.00 0.00 H new ATOM 0 HE ARG A 78 -2.904 -0.358 -10.300 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -3.776 1.391 -13.248 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -2.899 2.850 -12.777 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -1.781 1.523 -9.709 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -1.776 2.924 -10.785 1.00 0.00 H new ATOM 1202 N GLN A 79 -0.970 -5.464 -11.133 1.00 0.00 N ATOM 1203 CA GLN A 79 -0.036 -6.415 -11.723 1.00 0.00 C ATOM 1204 C GLN A 79 -0.415 -7.847 -11.359 1.00 0.00 C ATOM 1205 O GLN A 79 -0.261 -8.764 -12.166 1.00 0.00 O ATOM 1206 CB GLN A 79 1.389 -6.117 -11.253 1.00 0.00 C ATOM 1207 CG GLN A 79 1.975 -4.850 -11.854 1.00 0.00 C ATOM 1208 CD GLN A 79 3.466 -4.726 -11.611 1.00 0.00 C ATOM 1209 OE1 GLN A 79 4.269 -5.410 -12.246 1.00 0.00 O ATOM 1210 NE2 GLN A 79 3.845 -3.848 -10.689 1.00 0.00 N ATOM 0 H GLN A 79 -0.581 -4.908 -10.372 1.00 0.00 H new ATOM 0 HA GLN A 79 -0.084 -6.311 -12.807 1.00 0.00 H new ATOM 0 HB2 GLN A 79 1.394 -6.030 -10.167 1.00 0.00 H new ATOM 0 HB3 GLN A 79 2.031 -6.961 -11.508 1.00 0.00 H new ATOM 0 HG2 GLN A 79 1.783 -4.839 -12.927 1.00 0.00 H new ATOM 0 HG3 GLN A 79 1.468 -3.983 -11.430 1.00 0.00 H new ATOM 0 HE21 GLN A 79 3.145 -3.302 -10.187 1.00 0.00 H new ATOM 0 HE22 GLN A 79 4.836 -3.720 -10.484 1.00 0.00 H new ATOM 1219 N MET A 80 -0.911 -8.032 -10.140 1.00 0.00 N ATOM 1220 CA MET A 80 -1.311 -9.352 -9.669 1.00 0.00 C ATOM 1221 C MET A 80 -2.691 -9.724 -10.200 1.00 0.00 C ATOM 1222 O MET A 80 -2.951 -10.882 -10.529 1.00 0.00 O ATOM 1223 CB MET A 80 -1.312 -9.390 -8.140 1.00 0.00 C ATOM 1224 CG MET A 80 0.051 -9.121 -7.524 1.00 0.00 C ATOM 1225 SD MET A 80 -0.061 -8.489 -5.839 1.00 0.00 S ATOM 1226 CE MET A 80 -0.930 -9.831 -5.031 1.00 0.00 C ATOM 0 H MET A 80 -1.045 -7.283 -9.460 1.00 0.00 H new ATOM 0 HA MET A 80 -0.590 -10.079 -10.044 1.00 0.00 H new ATOM 0 HB2 MET A 80 -2.022 -8.652 -7.767 1.00 0.00 H new ATOM 0 HB3 MET A 80 -1.664 -10.367 -7.809 1.00 0.00 H new ATOM 0 HG2 MET A 80 0.634 -10.042 -7.524 1.00 0.00 H new ATOM 0 HG3 MET A 80 0.590 -8.403 -8.142 1.00 0.00 H new ATOM 0 HE1 MET A 80 -0.483 -10.019 -4.055 1.00 0.00 H new ATOM 0 HE2 MET A 80 -1.978 -9.561 -4.904 1.00 0.00 H new ATOM 0 HE3 MET A 80 -0.858 -10.731 -5.642 1.00 0.00 H new ATOM 1236 N GLY A 81 -3.576 -8.734 -10.281 1.00 0.00 N ATOM 1237 CA GLY A 81 -4.920 -8.977 -10.772 1.00 0.00 C ATOM 1238 C GLY A 81 -5.977 -8.727 -9.715 1.00 0.00 C ATOM 1239 O GLY A 81 -7.023 -9.377 -9.707 1.00 0.00 O ATOM 0 H GLY A 81 -3.386 -7.768 -10.015 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -5.111 -8.335 -11.632 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -4.996 -10.007 -11.121 1.00 0.00 H new ATOM 1243 N TYR A 82 -5.706 -7.783 -8.820 1.00 0.00 N ATOM 1244 CA TYR A 82 -6.643 -7.448 -7.754 1.00 0.00 C ATOM 1245 C TYR A 82 -7.605 -6.353 -8.202 1.00 0.00 C ATOM 1246 O TYR A 82 -7.185 -5.305 -8.692 1.00 0.00 O ATOM 1247 CB TYR A 82 -5.884 -6.999 -6.503 1.00 0.00 C ATOM 1248 CG TYR A 82 -5.823 -8.052 -5.418 1.00 0.00 C ATOM 1249 CD1 TYR A 82 -6.982 -8.644 -4.933 1.00 0.00 C ATOM 1250 CD2 TYR A 82 -4.606 -8.455 -4.882 1.00 0.00 C ATOM 1251 CE1 TYR A 82 -6.931 -9.607 -3.944 1.00 0.00 C ATOM 1252 CE2 TYR A 82 -4.546 -9.416 -3.892 1.00 0.00 C ATOM 1253 CZ TYR A 82 -5.711 -9.989 -3.426 1.00 0.00 C ATOM 1254 OH TYR A 82 -5.656 -10.948 -2.440 1.00 0.00 O ATOM 0 H TYR A 82 -4.845 -7.236 -8.812 1.00 0.00 H new ATOM 0 HA TYR A 82 -7.222 -8.340 -7.517 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -4.868 -6.721 -6.785 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -6.359 -6.104 -6.102 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -7.939 -8.347 -5.336 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -3.692 -8.009 -5.246 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -7.841 -10.058 -3.578 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -3.592 -9.717 -3.485 1.00 0.00 H new ATOM 0 HH TYR A 82 -5.118 -11.706 -2.750 1.00 0.00 H new ATOM 1264 N THR A 83 -8.899 -6.603 -8.029 1.00 0.00 N ATOM 1265 CA THR A 83 -9.923 -5.638 -8.416 1.00 0.00 C ATOM 1266 C THR A 83 -10.667 -5.115 -7.191 1.00 0.00 C ATOM 1267 O THR A 83 -11.017 -3.936 -7.122 1.00 0.00 O ATOM 1268 CB THR A 83 -10.911 -6.276 -9.393 1.00 0.00 C ATOM 1269 OG1 THR A 83 -10.285 -7.303 -10.140 1.00 0.00 O ATOM 1270 CG2 THR A 83 -11.502 -5.287 -10.376 1.00 0.00 C ATOM 0 H THR A 83 -9.264 -7.465 -7.624 1.00 0.00 H new ATOM 0 HA THR A 83 -9.430 -4.798 -8.906 1.00 0.00 H new ATOM 0 HB THR A 83 -11.715 -6.673 -8.774 1.00 0.00 H new ATOM 0 HG1 THR A 83 -10.934 -7.700 -10.758 1.00 0.00 H new ATOM 0 HG21 THR A 83 -12.194 -5.804 -11.040 1.00 0.00 H new ATOM 0 HG22 THR A 83 -12.035 -4.507 -9.832 1.00 0.00 H new ATOM 0 HG23 THR A 83 -10.702 -4.837 -10.964 1.00 0.00 H new ATOM 1278 N GLU A 84 -10.905 -5.998 -6.228 1.00 0.00 N ATOM 1279 CA GLU A 84 -11.609 -5.624 -5.006 1.00 0.00 C ATOM 1280 C GLU A 84 -10.695 -4.840 -4.069 1.00 0.00 C ATOM 1281 O GLU A 84 -11.150 -3.976 -3.321 1.00 0.00 O ATOM 1282 CB GLU A 84 -12.138 -6.872 -4.296 1.00 0.00 C ATOM 1283 CG GLU A 84 -13.565 -7.229 -4.678 1.00 0.00 C ATOM 1284 CD GLU A 84 -13.910 -8.671 -4.358 1.00 0.00 C ATOM 1285 OE1 GLU A 84 -13.557 -9.559 -5.162 1.00 0.00 O ATOM 1286 OE2 GLU A 84 -14.532 -8.912 -3.302 1.00 0.00 O ATOM 0 H GLU A 84 -10.621 -6.977 -6.269 1.00 0.00 H new ATOM 0 HA GLU A 84 -12.449 -4.987 -5.281 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -11.487 -7.715 -4.527 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -12.087 -6.716 -3.218 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -14.254 -6.569 -4.152 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -13.707 -7.053 -5.744 1.00 0.00 H new ATOM 1293 N ALA A 85 -9.402 -5.147 -4.117 1.00 0.00 N ATOM 1294 CA ALA A 85 -8.425 -4.471 -3.274 1.00 0.00 C ATOM 1295 C ALA A 85 -8.233 -3.022 -3.709 1.00 0.00 C ATOM 1296 O ALA A 85 -7.997 -2.141 -2.882 1.00 0.00 O ATOM 1297 CB ALA A 85 -7.097 -5.213 -3.307 1.00 0.00 C ATOM 0 H ALA A 85 -9.008 -5.860 -4.731 1.00 0.00 H new ATOM 0 HA ALA A 85 -8.804 -4.469 -2.252 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -6.376 -4.697 -2.673 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -7.239 -6.230 -2.942 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -6.723 -5.244 -4.330 1.00 0.00 H new ATOM 1303 N ILE A 86 -8.338 -2.781 -5.012 1.00 0.00 N ATOM 1304 CA ILE A 86 -8.177 -1.438 -5.556 1.00 0.00 C ATOM 1305 C ILE A 86 -9.399 -0.575 -5.260 1.00 0.00 C ATOM 1306 O ILE A 86 -9.274 0.613 -4.965 1.00 0.00 O ATOM 1307 CB ILE A 86 -7.944 -1.472 -7.079 1.00 0.00 C ATOM 1308 CG1 ILE A 86 -6.849 -2.481 -7.428 1.00 0.00 C ATOM 1309 CG2 ILE A 86 -7.579 -0.087 -7.591 1.00 0.00 C ATOM 1310 CD1 ILE A 86 -6.603 -2.615 -8.916 1.00 0.00 C ATOM 0 H ILE A 86 -8.534 -3.498 -5.710 1.00 0.00 H new ATOM 0 HA ILE A 86 -7.302 -1.004 -5.072 1.00 0.00 H new ATOM 0 HB ILE A 86 -8.868 -1.785 -7.565 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -5.921 -2.182 -6.940 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -7.122 -3.456 -7.024 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -7.418 -0.128 -8.668 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -8.390 0.607 -7.372 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -6.667 0.254 -7.100 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -5.814 -3.347 -9.090 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -7.518 -2.944 -9.408 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -6.299 -1.651 -9.323 1.00 0.00 H new ATOM 1322 N GLU A 87 -10.578 -1.181 -5.343 1.00 0.00 N ATOM 1323 CA GLU A 87 -11.824 -0.467 -5.085 1.00 0.00 C ATOM 1324 C GLU A 87 -11.855 0.074 -3.659 1.00 0.00 C ATOM 1325 O GLU A 87 -12.433 1.129 -3.399 1.00 0.00 O ATOM 1326 CB GLU A 87 -13.021 -1.388 -5.321 1.00 0.00 C ATOM 1327 CG GLU A 87 -13.314 -1.641 -6.791 1.00 0.00 C ATOM 1328 CD GLU A 87 -14.781 -1.916 -7.054 1.00 0.00 C ATOM 1329 OE1 GLU A 87 -15.497 -2.285 -6.099 1.00 0.00 O ATOM 1330 OE2 GLU A 87 -15.216 -1.762 -8.216 1.00 0.00 O ATOM 0 H GLU A 87 -10.698 -2.164 -5.587 1.00 0.00 H new ATOM 0 HA GLU A 87 -11.882 0.375 -5.775 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -12.838 -2.342 -4.826 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -13.903 -0.951 -4.853 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -13.000 -0.775 -7.374 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -12.722 -2.489 -7.135 1.00 0.00 H new ATOM 1337 N VAL A 88 -11.233 -0.656 -2.740 1.00 0.00 N ATOM 1338 CA VAL A 88 -11.192 -0.248 -1.340 1.00 0.00 C ATOM 1339 C VAL A 88 -10.370 1.025 -1.164 1.00 0.00 C ATOM 1340 O VAL A 88 -10.712 1.889 -0.357 1.00 0.00 O ATOM 1341 CB VAL A 88 -10.599 -1.355 -0.448 1.00 0.00 C ATOM 1342 CG1 VAL A 88 -10.718 -0.980 1.023 1.00 0.00 C ATOM 1343 CG2 VAL A 88 -11.281 -2.689 -0.723 1.00 0.00 C ATOM 0 H VAL A 88 -10.751 -1.533 -2.939 1.00 0.00 H new ATOM 0 HA VAL A 88 -12.221 -0.060 -1.035 1.00 0.00 H new ATOM 0 HB VAL A 88 -9.541 -1.459 -0.688 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -10.294 -1.775 1.637 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -10.177 -0.052 1.207 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -11.769 -0.845 1.280 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -10.848 -3.458 -0.083 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -12.347 -2.602 -0.515 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -11.136 -2.963 -1.768 1.00 0.00 H new ATOM 1353 N ILE A 89 -9.286 1.134 -1.926 1.00 0.00 N ATOM 1354 CA ILE A 89 -8.416 2.301 -1.854 1.00 0.00 C ATOM 1355 C ILE A 89 -9.025 3.487 -2.595 1.00 0.00 C ATOM 1356 O ILE A 89 -8.810 4.641 -2.224 1.00 0.00 O ATOM 1357 CB ILE A 89 -7.024 2.003 -2.441 1.00 0.00 C ATOM 1358 CG1 ILE A 89 -6.451 0.721 -1.833 1.00 0.00 C ATOM 1359 CG2 ILE A 89 -6.084 3.175 -2.200 1.00 0.00 C ATOM 1360 CD1 ILE A 89 -5.427 0.040 -2.715 1.00 0.00 C ATOM 0 H ILE A 89 -8.990 0.428 -2.600 1.00 0.00 H new ATOM 0 HA ILE A 89 -8.310 2.551 -0.798 1.00 0.00 H new ATOM 0 HB ILE A 89 -7.125 1.858 -3.517 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -5.992 0.957 -0.873 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -7.267 0.026 -1.634 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -5.104 2.948 -2.621 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -6.486 4.068 -2.678 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -5.987 3.349 -1.128 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -5.064 -0.861 -2.221 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -5.887 -0.228 -3.666 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -4.592 0.718 -2.893 1.00 0.00 H new ATOM 1372 N GLN A 90 -9.785 3.194 -3.645 1.00 0.00 N ATOM 1373 CA GLN A 90 -10.425 4.236 -4.440 1.00 0.00 C ATOM 1374 C GLN A 90 -11.670 4.770 -3.740 1.00 0.00 C ATOM 1375 O GLN A 90 -12.033 5.935 -3.901 1.00 0.00 O ATOM 1376 CB GLN A 90 -10.792 3.697 -5.824 1.00 0.00 C ATOM 1377 CG GLN A 90 -9.587 3.341 -6.678 1.00 0.00 C ATOM 1378 CD GLN A 90 -9.751 3.767 -8.124 1.00 0.00 C ATOM 1379 OE1 GLN A 90 -9.840 4.958 -8.426 1.00 0.00 O ATOM 1380 NE2 GLN A 90 -9.792 2.795 -9.026 1.00 0.00 N ATOM 0 H GLN A 90 -9.973 2.244 -3.965 1.00 0.00 H new ATOM 0 HA GLN A 90 -9.717 5.057 -4.554 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -11.417 2.812 -5.706 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -11.390 4.442 -6.348 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -8.698 3.816 -6.262 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -9.422 2.264 -6.637 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -9.714 1.822 -8.731 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -9.901 3.021 -10.015 1.00 0.00 H new ATOM 1389 N ALA A 91 -12.322 3.910 -2.963 1.00 0.00 N ATOM 1390 CA ALA A 91 -13.528 4.298 -2.240 1.00 0.00 C ATOM 1391 C ALA A 91 -13.252 5.463 -1.295 1.00 0.00 C ATOM 1392 O ALA A 91 -13.832 6.539 -1.435 1.00 0.00 O ATOM 1393 CB ALA A 91 -14.085 3.110 -1.469 1.00 0.00 C ATOM 0 H ALA A 91 -12.036 2.942 -2.818 1.00 0.00 H new ATOM 0 HA ALA A 91 -14.270 4.625 -2.969 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -14.985 3.413 -0.934 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -14.330 2.307 -2.165 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -13.340 2.758 -0.756 1.00 0.00 H new ATOM 1399 N ALA A 92 -12.362 5.241 -0.334 1.00 0.00 N ATOM 1400 CA ALA A 92 -12.008 6.272 0.634 1.00 0.00 C ATOM 1401 C ALA A 92 -11.346 7.463 -0.048 1.00 0.00 C ATOM 1402 O ALA A 92 -11.867 8.578 -0.016 1.00 0.00 O ATOM 1403 CB ALA A 92 -11.092 5.698 1.705 1.00 0.00 C ATOM 0 H ALA A 92 -11.872 4.356 -0.205 1.00 0.00 H new ATOM 0 HA ALA A 92 -12.926 6.622 1.106 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -10.836 6.479 2.421 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -11.601 4.885 2.222 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -10.182 5.319 1.240 1.00 0.00 H new ATOM 1409 N SER A 93 -10.195 7.220 -0.667 1.00 0.00 N ATOM 1410 CA SER A 93 -9.461 8.273 -1.357 1.00 0.00 C ATOM 1411 C SER A 93 -10.152 8.650 -2.665 1.00 0.00 C ATOM 1412 O SER A 93 -9.883 8.061 -3.712 1.00 0.00 O ATOM 1413 CB SER A 93 -8.026 7.824 -1.637 1.00 0.00 C ATOM 1414 OG SER A 93 -7.246 8.893 -2.146 1.00 0.00 O ATOM 0 H SER A 93 -9.751 6.302 -0.704 1.00 0.00 H new ATOM 0 HA SER A 93 -9.440 9.151 -0.711 1.00 0.00 H new ATOM 0 HB2 SER A 93 -7.575 7.445 -0.720 1.00 0.00 H new ATOM 0 HB3 SER A 93 -8.032 7.002 -2.352 1.00 0.00 H new ATOM 0 HG SER A 93 -6.333 8.580 -2.315 1.00 0.00 H new ATOM 1420 N SER A 94 -11.041 9.634 -2.595 1.00 0.00 N ATOM 1421 CA SER A 94 -11.770 10.091 -3.772 1.00 0.00 C ATOM 1422 C SER A 94 -11.179 11.392 -4.307 1.00 0.00 C ATOM 1423 O SER A 94 -10.559 12.154 -3.566 1.00 0.00 O ATOM 1424 CB SER A 94 -13.249 10.288 -3.438 1.00 0.00 C ATOM 1425 OG SER A 94 -13.742 9.218 -2.651 1.00 0.00 O ATOM 0 H SER A 94 -11.274 10.131 -1.735 1.00 0.00 H new ATOM 0 HA SER A 94 -11.679 9.327 -4.544 1.00 0.00 H new ATOM 0 HB2 SER A 94 -13.382 11.228 -2.903 1.00 0.00 H new ATOM 0 HB3 SER A 94 -13.826 10.362 -4.360 1.00 0.00 H new ATOM 0 HG SER A 94 -14.689 9.369 -2.450 1.00 0.00 H new ATOM 1431 N SER A 95 -11.376 11.638 -5.598 1.00 0.00 N ATOM 1432 CA SER A 95 -10.863 12.846 -6.232 1.00 0.00 C ATOM 1433 C SER A 95 -11.966 13.572 -6.996 1.00 0.00 C ATOM 1434 O SER A 95 -11.709 14.224 -8.008 1.00 0.00 O ATOM 1435 CB SER A 95 -9.712 12.501 -7.180 1.00 0.00 C ATOM 1436 OG SER A 95 -8.917 11.452 -6.657 1.00 0.00 O ATOM 0 H SER A 95 -11.887 11.017 -6.225 1.00 0.00 H new ATOM 0 HA SER A 95 -10.494 13.507 -5.448 1.00 0.00 H new ATOM 0 HB2 SER A 95 -10.112 12.209 -8.151 1.00 0.00 H new ATOM 0 HB3 SER A 95 -9.094 13.384 -7.342 1.00 0.00 H new ATOM 0 HG SER A 95 -8.190 11.250 -7.282 1.00 0.00 H new ATOM 1442 N GLY A 96 -13.196 13.454 -6.505 1.00 0.00 N ATOM 1443 CA GLY A 96 -14.318 14.104 -7.155 1.00 0.00 C ATOM 1444 C GLY A 96 -15.565 14.116 -6.286 1.00 0.00 C ATOM 1445 O GLY A 96 -15.999 13.065 -5.813 1.00 0.00 O ATOM 0 H GLY A 96 -13.435 12.920 -5.669 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -14.044 15.129 -7.407 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -14.537 13.593 -8.093 1.00 0.00 H new ATOM 1449 N PRO A 97 -16.169 15.296 -6.054 1.00 0.00 N ATOM 1450 CA PRO A 97 -17.375 15.412 -5.230 1.00 0.00 C ATOM 1451 C PRO A 97 -18.608 14.847 -5.926 1.00 0.00 C ATOM 1452 O PRO A 97 -19.395 14.118 -5.322 1.00 0.00 O ATOM 1453 CB PRO A 97 -17.521 16.922 -5.027 1.00 0.00 C ATOM 1454 CG PRO A 97 -16.858 17.527 -6.214 1.00 0.00 C ATOM 1455 CD PRO A 97 -15.726 16.604 -6.574 1.00 0.00 C ATOM 0 HA PRO A 97 -17.290 14.849 -4.300 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -18.569 17.214 -4.967 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -17.046 17.245 -4.100 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -17.558 17.627 -7.043 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -16.489 18.527 -5.987 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -15.561 16.573 -7.651 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -14.789 16.921 -6.117 1.00 0.00 H new ATOM 1463 N SER A 98 -18.771 15.188 -7.200 1.00 0.00 N ATOM 1464 CA SER A 98 -19.908 14.713 -7.979 1.00 0.00 C ATOM 1465 C SER A 98 -19.601 14.761 -9.473 1.00 0.00 C ATOM 1466 O SER A 98 -19.423 15.834 -10.046 1.00 0.00 O ATOM 1467 CB SER A 98 -21.149 15.555 -7.676 1.00 0.00 C ATOM 1468 OG SER A 98 -21.826 15.070 -6.529 1.00 0.00 O ATOM 0 H SER A 98 -18.130 15.792 -7.715 1.00 0.00 H new ATOM 0 HA SER A 98 -20.102 13.678 -7.698 1.00 0.00 H new ATOM 0 HB2 SER A 98 -20.858 16.594 -7.519 1.00 0.00 H new ATOM 0 HB3 SER A 98 -21.822 15.539 -8.533 1.00 0.00 H new ATOM 0 HG SER A 98 -21.179 14.666 -5.914 1.00 0.00 H new ATOM 1474 N SER A 99 -19.540 13.589 -10.097 1.00 0.00 N ATOM 1475 CA SER A 99 -19.255 13.497 -11.523 1.00 0.00 C ATOM 1476 C SER A 99 -20.543 13.378 -12.331 1.00 0.00 C ATOM 1477 O SER A 99 -21.575 12.951 -11.814 1.00 0.00 O ATOM 1478 CB SER A 99 -18.349 12.297 -11.808 1.00 0.00 C ATOM 1479 OG SER A 99 -16.982 12.660 -11.730 1.00 0.00 O ATOM 0 H SER A 99 -19.684 12.690 -9.637 1.00 0.00 H new ATOM 0 HA SER A 99 -18.742 14.411 -11.823 1.00 0.00 H new ATOM 0 HB2 SER A 99 -18.559 11.501 -11.093 1.00 0.00 H new ATOM 0 HB3 SER A 99 -18.567 11.900 -12.799 1.00 0.00 H new ATOM 0 HG SER A 99 -16.424 11.876 -11.914 1.00 0.00 H new ATOM 1485 N GLY A 100 -20.475 13.759 -13.603 1.00 0.00 N ATOM 1486 CA GLY A 100 -21.642 13.688 -14.462 1.00 0.00 C ATOM 1487 C GLY A 100 -21.906 12.283 -14.966 1.00 0.00 C ATOM 1488 O GLY A 100 -21.448 11.957 -16.082 1.00 0.00 O ATOM 1489 OXT GLY A 100 -22.569 11.507 -14.245 1.00 0.00 O ATOM 0 H GLY A 100 -19.632 14.116 -14.054 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -22.515 14.044 -13.914 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -21.505 14.356 -15.312 1.00 0.00 H new TER 1493 GLY A 100