USER MOD reduce.3.24.130724 H: found=0, std=0, add=536, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 534 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 11 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 2 SER OG : rot 54:sc= 0.244 USER MOD Set 2.2: A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ -132:sc= 0.32 (180deg=-1.5) USER MOD Single : A 13 THR OG1 : rot 155:sc= 1.64 USER MOD Single : A 15 GLN :FLIP amide:sc= -1.2 F(o=-1.8!,f=-1.2) USER MOD Single : A 17 TYR OH : rot -175:sc= 0.348 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 32:sc= 0.078 USER MOD Single : A 20 GLN : amide:sc= -0.685 K(o=-0.68,f=-3.2) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 ASN : amide:sc= -2.7! C(o=-2.7!,f=-3!) USER MOD Single : A 45 TYR OH : rot -39:sc= 0.296 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 162:sc= -0.0129 (180deg=-0.189) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ -139:sc= 0.0942 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -11.710 16.089 -3.578 1.00 0.00 N ATOM 2 CA GLY A 1 -10.768 16.786 -4.436 1.00 0.00 C ATOM 3 C GLY A 1 -9.497 17.172 -3.707 1.00 0.00 C ATOM 4 O GLY A 1 -9.074 18.326 -3.750 1.00 0.00 O ATOM 0 H1 GLY A 1 -12.562 15.847 -4.123 1.00 0.00 H new ATOM 0 H2 GLY A 1 -11.271 15.218 -3.216 1.00 0.00 H new ATOM 0 H3 GLY A 1 -11.972 16.702 -2.780 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -10.517 16.152 -5.286 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -11.241 17.683 -4.836 1.00 0.00 H new ATOM 8 N SER A 2 -8.885 16.203 -3.034 1.00 0.00 N ATOM 9 CA SER A 2 -7.656 16.447 -2.288 1.00 0.00 C ATOM 10 C SER A 2 -6.489 15.674 -2.894 1.00 0.00 C ATOM 11 O SER A 2 -6.121 14.604 -2.410 1.00 0.00 O ATOM 12 CB SER A 2 -7.838 16.051 -0.821 1.00 0.00 C ATOM 13 OG SER A 2 -8.372 14.743 -0.708 1.00 0.00 O ATOM 0 H SER A 2 -9.220 15.241 -2.990 1.00 0.00 H new ATOM 0 HA SER A 2 -7.431 17.512 -2.345 1.00 0.00 H new ATOM 0 HB2 SER A 2 -6.879 16.101 -0.306 1.00 0.00 H new ATOM 0 HB3 SER A 2 -8.502 16.762 -0.329 1.00 0.00 H new ATOM 0 HG SER A 2 -7.816 14.118 -1.218 1.00 0.00 H new ATOM 19 N SER A 3 -5.911 16.226 -3.957 1.00 0.00 N ATOM 20 CA SER A 3 -4.788 15.587 -4.633 1.00 0.00 C ATOM 21 C SER A 3 -3.596 15.445 -3.690 1.00 0.00 C ATOM 22 O SER A 3 -2.851 16.397 -3.465 1.00 0.00 O ATOM 23 CB SER A 3 -4.382 16.395 -5.867 1.00 0.00 C ATOM 24 OG SER A 3 -5.257 16.142 -6.953 1.00 0.00 O ATOM 0 H SER A 3 -6.202 17.113 -4.368 1.00 0.00 H new ATOM 0 HA SER A 3 -5.103 14.592 -4.946 1.00 0.00 H new ATOM 0 HB2 SER A 3 -4.391 17.459 -5.628 1.00 0.00 H new ATOM 0 HB3 SER A 3 -3.361 16.141 -6.152 1.00 0.00 H new ATOM 0 HG SER A 3 -4.977 16.671 -7.729 1.00 0.00 H new ATOM 30 N GLY A 4 -3.424 14.246 -3.141 1.00 0.00 N ATOM 31 CA GLY A 4 -2.322 13.999 -2.230 1.00 0.00 C ATOM 32 C GLY A 4 -2.635 14.431 -0.811 1.00 0.00 C ATOM 33 O GLY A 4 -2.405 15.581 -0.439 1.00 0.00 O ATOM 0 H GLY A 4 -4.028 13.442 -3.311 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -2.079 12.936 -2.238 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -1.438 14.531 -2.582 1.00 0.00 H new ATOM 37 N SER A 5 -3.165 13.506 -0.016 1.00 0.00 N ATOM 38 CA SER A 5 -3.517 13.798 1.368 1.00 0.00 C ATOM 39 C SER A 5 -2.463 13.249 2.325 1.00 0.00 C ATOM 40 O SER A 5 -1.868 13.993 3.104 1.00 0.00 O ATOM 41 CB SER A 5 -4.886 13.205 1.705 1.00 0.00 C ATOM 42 OG SER A 5 -5.927 14.114 1.391 1.00 0.00 O ATOM 0 H SER A 5 -3.360 12.548 -0.307 1.00 0.00 H new ATOM 0 HA SER A 5 -3.560 14.881 1.485 1.00 0.00 H new ATOM 0 HB2 SER A 5 -5.030 12.277 1.152 1.00 0.00 H new ATOM 0 HB3 SER A 5 -4.926 12.954 2.765 1.00 0.00 H new ATOM 0 HG SER A 5 -6.792 13.711 1.614 1.00 0.00 H new ATOM 48 N SER A 6 -2.238 11.941 2.258 1.00 0.00 N ATOM 49 CA SER A 6 -1.259 11.288 3.120 1.00 0.00 C ATOM 50 C SER A 6 -0.287 10.447 2.298 1.00 0.00 C ATOM 51 O SER A 6 -0.457 9.236 2.166 1.00 0.00 O ATOM 52 CB SER A 6 -1.964 10.410 4.155 1.00 0.00 C ATOM 53 OG SER A 6 -1.029 9.792 5.022 1.00 0.00 O ATOM 0 H SER A 6 -2.720 11.312 1.616 1.00 0.00 H new ATOM 0 HA SER A 6 -0.693 12.063 3.638 1.00 0.00 H new ATOM 0 HB2 SER A 6 -2.659 11.015 4.737 1.00 0.00 H new ATOM 0 HB3 SER A 6 -2.554 9.647 3.648 1.00 0.00 H new ATOM 0 HG SER A 6 -1.505 9.238 5.675 1.00 0.00 H new ATOM 59 N GLY A 7 0.732 11.099 1.748 1.00 0.00 N ATOM 60 CA GLY A 7 1.717 10.397 0.946 1.00 0.00 C ATOM 61 C GLY A 7 3.128 10.581 1.467 1.00 0.00 C ATOM 62 O GLY A 7 4.026 10.969 0.720 1.00 0.00 O ATOM 0 H GLY A 7 0.893 12.102 1.843 1.00 0.00 H new ATOM 0 HA2 GLY A 7 1.476 9.334 0.928 1.00 0.00 H new ATOM 0 HA3 GLY A 7 1.664 10.753 -0.083 1.00 0.00 H new ATOM 66 N GLU A 8 3.324 10.305 2.752 1.00 0.00 N ATOM 67 CA GLU A 8 4.636 10.445 3.372 1.00 0.00 C ATOM 68 C GLU A 8 5.552 9.291 2.975 1.00 0.00 C ATOM 69 O GLU A 8 6.740 9.487 2.723 1.00 0.00 O ATOM 70 CB GLU A 8 4.502 10.503 4.895 1.00 0.00 C ATOM 71 CG GLU A 8 4.197 11.894 5.427 1.00 0.00 C ATOM 72 CD GLU A 8 4.133 11.939 6.941 1.00 0.00 C ATOM 73 OE1 GLU A 8 5.160 11.644 7.588 1.00 0.00 O ATOM 74 OE2 GLU A 8 3.056 12.269 7.480 1.00 0.00 O ATOM 0 H GLU A 8 2.591 9.983 3.384 1.00 0.00 H new ATOM 0 HA GLU A 8 5.079 11.376 3.018 1.00 0.00 H new ATOM 0 HB2 GLU A 8 3.711 9.822 5.208 1.00 0.00 H new ATOM 0 HB3 GLU A 8 5.427 10.145 5.347 1.00 0.00 H new ATOM 0 HG2 GLU A 8 4.962 12.588 5.079 1.00 0.00 H new ATOM 0 HG3 GLU A 8 3.247 12.235 5.017 1.00 0.00 H new ATOM 81 N GLU A 9 4.990 8.087 2.923 1.00 0.00 N ATOM 82 CA GLU A 9 5.755 6.902 2.558 1.00 0.00 C ATOM 83 C GLU A 9 5.059 6.126 1.445 1.00 0.00 C ATOM 84 O GLU A 9 3.906 5.716 1.584 1.00 0.00 O ATOM 85 CB GLU A 9 5.954 6.000 3.779 1.00 0.00 C ATOM 86 CG GLU A 9 6.969 6.535 4.773 1.00 0.00 C ATOM 87 CD GLU A 9 8.399 6.225 4.373 1.00 0.00 C ATOM 88 OE1 GLU A 9 8.980 7.009 3.593 1.00 0.00 O ATOM 89 OE2 GLU A 9 8.935 5.198 4.838 1.00 0.00 O ATOM 0 H GLU A 9 4.007 7.908 3.129 1.00 0.00 H new ATOM 0 HA GLU A 9 6.729 7.228 2.194 1.00 0.00 H new ATOM 0 HB2 GLU A 9 4.997 5.871 4.284 1.00 0.00 H new ATOM 0 HB3 GLU A 9 6.273 5.013 3.443 1.00 0.00 H new ATOM 0 HG2 GLU A 9 6.848 7.614 4.865 1.00 0.00 H new ATOM 0 HG3 GLU A 9 6.770 6.107 5.755 1.00 0.00 H new ATOM 96 N LYS A 10 5.767 5.926 0.339 1.00 0.00 N ATOM 97 CA LYS A 10 5.220 5.198 -0.800 1.00 0.00 C ATOM 98 C LYS A 10 5.799 3.789 -0.874 1.00 0.00 C ATOM 99 O LYS A 10 7.016 3.609 -0.926 1.00 0.00 O ATOM 100 CB LYS A 10 5.512 5.951 -2.101 1.00 0.00 C ATOM 101 CG LYS A 10 4.478 7.014 -2.433 1.00 0.00 C ATOM 102 CD LYS A 10 4.411 7.276 -3.928 1.00 0.00 C ATOM 103 CE LYS A 10 3.602 8.527 -4.238 1.00 0.00 C ATOM 104 NZ LYS A 10 2.143 8.310 -4.032 1.00 0.00 N ATOM 0 H LYS A 10 6.722 6.258 0.207 1.00 0.00 H new ATOM 0 HA LYS A 10 4.141 5.121 -0.666 1.00 0.00 H new ATOM 0 HB2 LYS A 10 6.493 6.421 -2.027 1.00 0.00 H new ATOM 0 HB3 LYS A 10 5.562 5.236 -2.922 1.00 0.00 H new ATOM 0 HG2 LYS A 10 3.499 6.696 -2.074 1.00 0.00 H new ATOM 0 HG3 LYS A 10 4.724 7.939 -1.911 1.00 0.00 H new ATOM 0 HD2 LYS A 10 5.420 7.386 -4.325 1.00 0.00 H new ATOM 0 HD3 LYS A 10 3.963 6.418 -4.429 1.00 0.00 H new ATOM 0 HE2 LYS A 10 3.941 9.345 -3.602 1.00 0.00 H new ATOM 0 HE3 LYS A 10 3.782 8.829 -5.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 1.619 8.665 -4.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 1.956 7.294 -3.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 1.833 8.820 -3.180 1.00 0.00 H new ATOM 118 N TYR A 11 4.921 2.793 -0.883 1.00 0.00 N ATOM 119 CA TYR A 11 5.345 1.400 -0.949 1.00 0.00 C ATOM 120 C TYR A 11 4.977 0.783 -2.296 1.00 0.00 C ATOM 121 O TYR A 11 4.184 1.342 -3.053 1.00 0.00 O ATOM 122 CB TYR A 11 4.708 0.595 0.185 1.00 0.00 C ATOM 123 CG TYR A 11 5.511 0.613 1.465 1.00 0.00 C ATOM 124 CD1 TYR A 11 5.771 1.807 2.128 1.00 0.00 C ATOM 125 CD2 TYR A 11 6.009 -0.562 2.013 1.00 0.00 C ATOM 126 CE1 TYR A 11 6.504 1.829 3.299 1.00 0.00 C ATOM 127 CE2 TYR A 11 6.743 -0.550 3.183 1.00 0.00 C ATOM 128 CZ TYR A 11 6.987 0.648 3.822 1.00 0.00 C ATOM 129 OH TYR A 11 7.718 0.664 4.988 1.00 0.00 O ATOM 0 H TYR A 11 3.910 2.925 -0.845 1.00 0.00 H new ATOM 0 HA TYR A 11 6.429 1.371 -0.840 1.00 0.00 H new ATOM 0 HB2 TYR A 11 3.712 0.990 0.385 1.00 0.00 H new ATOM 0 HB3 TYR A 11 4.582 -0.438 -0.140 1.00 0.00 H new ATOM 0 HD1 TYR A 11 5.394 2.733 1.721 1.00 0.00 H new ATOM 0 HD2 TYR A 11 5.819 -1.502 1.516 1.00 0.00 H new ATOM 0 HE1 TYR A 11 6.697 2.765 3.802 1.00 0.00 H new ATOM 0 HE2 TYR A 11 7.124 -1.473 3.595 1.00 0.00 H new ATOM 0 HH TYR A 11 7.982 -0.250 5.221 1.00 0.00 H new ATOM 139 N VAL A 12 5.560 -0.375 -2.588 1.00 0.00 N ATOM 140 CA VAL A 12 5.295 -1.071 -3.841 1.00 0.00 C ATOM 141 C VAL A 12 4.893 -2.521 -3.591 1.00 0.00 C ATOM 142 O VAL A 12 5.395 -3.166 -2.669 1.00 0.00 O ATOM 143 CB VAL A 12 6.522 -1.043 -4.771 1.00 0.00 C ATOM 144 CG1 VAL A 12 7.686 -1.793 -4.141 1.00 0.00 C ATOM 145 CG2 VAL A 12 6.173 -1.628 -6.131 1.00 0.00 C ATOM 0 H VAL A 12 6.220 -0.851 -1.973 1.00 0.00 H new ATOM 0 HA VAL A 12 4.471 -0.547 -4.325 1.00 0.00 H new ATOM 0 HB VAL A 12 6.824 -0.006 -4.915 1.00 0.00 H new ATOM 0 HG11 VAL A 12 8.544 -1.763 -4.812 1.00 0.00 H new ATOM 0 HG12 VAL A 12 7.950 -1.325 -3.193 1.00 0.00 H new ATOM 0 HG13 VAL A 12 7.399 -2.830 -3.966 1.00 0.00 H new ATOM 0 HG21 VAL A 12 7.052 -1.600 -6.775 1.00 0.00 H new ATOM 0 HG22 VAL A 12 5.844 -2.660 -6.010 1.00 0.00 H new ATOM 0 HG23 VAL A 12 5.372 -1.043 -6.584 1.00 0.00 H new ATOM 155 N THR A 13 3.985 -3.029 -4.417 1.00 0.00 N ATOM 156 CA THR A 13 3.516 -4.403 -4.285 1.00 0.00 C ATOM 157 C THR A 13 4.433 -5.370 -5.025 1.00 0.00 C ATOM 158 O THR A 13 4.853 -5.104 -6.151 1.00 0.00 O ATOM 159 CB THR A 13 2.081 -4.560 -4.823 1.00 0.00 C ATOM 160 OG1 THR A 13 2.049 -4.272 -6.226 1.00 0.00 O ATOM 161 CG2 THR A 13 1.123 -3.634 -4.090 1.00 0.00 C ATOM 0 H THR A 13 3.559 -2.510 -5.185 1.00 0.00 H new ATOM 0 HA THR A 13 3.525 -4.640 -3.221 1.00 0.00 H new ATOM 0 HB THR A 13 1.766 -5.590 -4.656 1.00 0.00 H new ATOM 0 HG1 THR A 13 1.288 -4.733 -6.637 1.00 0.00 H new ATOM 0 HG21 THR A 13 0.116 -3.763 -4.488 1.00 0.00 H new ATOM 0 HG22 THR A 13 1.127 -3.874 -3.027 1.00 0.00 H new ATOM 0 HG23 THR A 13 1.438 -2.600 -4.229 1.00 0.00 H new ATOM 169 N VAL A 14 4.737 -6.495 -4.386 1.00 0.00 N ATOM 170 CA VAL A 14 5.603 -7.504 -4.983 1.00 0.00 C ATOM 171 C VAL A 14 4.804 -8.729 -5.413 1.00 0.00 C ATOM 172 O VAL A 14 5.289 -9.561 -6.180 1.00 0.00 O ATOM 173 CB VAL A 14 6.710 -7.943 -4.008 1.00 0.00 C ATOM 174 CG1 VAL A 14 7.733 -6.831 -3.824 1.00 0.00 C ATOM 175 CG2 VAL A 14 6.111 -8.354 -2.672 1.00 0.00 C ATOM 0 H VAL A 14 4.396 -6.731 -3.454 1.00 0.00 H new ATOM 0 HA VAL A 14 6.063 -7.047 -5.860 1.00 0.00 H new ATOM 0 HB VAL A 14 7.221 -8.807 -4.432 1.00 0.00 H new ATOM 0 HG11 VAL A 14 8.508 -7.160 -3.131 1.00 0.00 H new ATOM 0 HG12 VAL A 14 8.185 -6.590 -4.786 1.00 0.00 H new ATOM 0 HG13 VAL A 14 7.240 -5.946 -3.423 1.00 0.00 H new ATOM 0 HG21 VAL A 14 6.908 -8.661 -1.995 1.00 0.00 H new ATOM 0 HG22 VAL A 14 5.573 -7.510 -2.240 1.00 0.00 H new ATOM 0 HG23 VAL A 14 5.422 -9.185 -2.822 1.00 0.00 H new ATOM 185 N GLN A 15 3.577 -8.833 -4.914 1.00 0.00 N ATOM 186 CA GLN A 15 2.710 -9.958 -5.246 1.00 0.00 C ATOM 187 C GLN A 15 1.243 -9.538 -5.232 1.00 0.00 C ATOM 188 O GLN A 15 0.828 -8.670 -4.465 1.00 0.00 O ATOM 189 CB GLN A 15 2.933 -11.108 -4.263 1.00 0.00 C ATOM 190 CG GLN A 15 4.345 -11.669 -4.291 1.00 0.00 C ATOM 191 CD GLN A 15 4.669 -12.365 -5.598 1.00 0.00 C ATOM 192 OE1 GLN A 15 5.810 -12.022 -6.185 1.00 0.00 O flip ATOM 193 NE2 GLN A 15 3.905 -13.204 -6.075 1.00 0.00 N flip ATOM 0 H GLN A 15 3.160 -8.152 -4.279 1.00 0.00 H new ATOM 0 HA GLN A 15 2.963 -10.295 -6.251 1.00 0.00 H new ATOM 0 HB2 GLN A 15 2.709 -10.761 -3.254 1.00 0.00 H new ATOM 0 HB3 GLN A 15 2.229 -11.909 -4.488 1.00 0.00 H new ATOM 0 HG2 GLN A 15 5.057 -10.860 -4.128 1.00 0.00 H new ATOM 0 HG3 GLN A 15 4.469 -12.373 -3.468 1.00 0.00 H new ATOM 0 HE21 GLN A 15 3.038 -13.438 -5.591 1.00 0.00 H new ATOM 0 HE22 GLN A 15 4.139 -13.665 -6.954 1.00 0.00 H new ATOM 202 N PRO A 16 0.440 -10.168 -6.102 1.00 0.00 N ATOM 203 CA PRO A 16 -0.993 -9.876 -6.210 1.00 0.00 C ATOM 204 C PRO A 16 -1.775 -10.353 -4.991 1.00 0.00 C ATOM 205 O PRO A 16 -1.500 -11.421 -4.445 1.00 0.00 O ATOM 206 CB PRO A 16 -1.420 -10.653 -7.457 1.00 0.00 C ATOM 207 CG PRO A 16 -0.431 -11.761 -7.571 1.00 0.00 C ATOM 208 CD PRO A 16 0.867 -11.213 -7.047 1.00 0.00 C ATOM 0 HA PRO A 16 -1.188 -8.805 -6.271 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -2.435 -11.037 -7.356 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -1.407 -10.018 -8.343 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -0.749 -12.629 -6.994 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -0.328 -12.087 -8.606 1.00 0.00 H new ATOM 0 HD2 PRO A 16 1.458 -11.984 -6.553 1.00 0.00 H new ATOM 0 HD3 PRO A 16 1.483 -10.803 -7.848 1.00 0.00 H new ATOM 216 N TYR A 17 -2.750 -9.555 -4.570 1.00 0.00 N ATOM 217 CA TYR A 17 -3.571 -9.896 -3.414 1.00 0.00 C ATOM 218 C TYR A 17 -5.055 -9.761 -3.741 1.00 0.00 C ATOM 219 O TYR A 17 -5.455 -8.902 -4.527 1.00 0.00 O ATOM 220 CB TYR A 17 -3.215 -8.999 -2.227 1.00 0.00 C ATOM 221 CG TYR A 17 -3.771 -9.489 -0.910 1.00 0.00 C ATOM 222 CD1 TYR A 17 -3.260 -10.627 -0.298 1.00 0.00 C ATOM 223 CD2 TYR A 17 -4.806 -8.813 -0.276 1.00 0.00 C ATOM 224 CE1 TYR A 17 -3.765 -11.079 0.906 1.00 0.00 C ATOM 225 CE2 TYR A 17 -5.317 -9.257 0.929 1.00 0.00 C ATOM 226 CZ TYR A 17 -4.793 -10.391 1.515 1.00 0.00 C ATOM 227 OH TYR A 17 -5.299 -10.836 2.715 1.00 0.00 O ATOM 0 H TYR A 17 -2.991 -8.668 -5.012 1.00 0.00 H new ATOM 0 HA TYR A 17 -3.369 -10.934 -3.150 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -2.130 -8.927 -2.149 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -3.589 -7.993 -2.418 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -2.454 -11.168 -0.772 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -5.218 -7.925 -0.733 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -3.357 -11.966 1.367 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -6.122 -8.720 1.409 1.00 0.00 H new ATOM 0 HH TYR A 17 -6.069 -10.286 2.969 1.00 0.00 H new ATOM 237 N THR A 18 -5.869 -10.618 -3.131 1.00 0.00 N ATOM 238 CA THR A 18 -7.309 -10.596 -3.356 1.00 0.00 C ATOM 239 C THR A 18 -8.066 -10.405 -2.047 1.00 0.00 C ATOM 240 O THR A 18 -8.176 -11.330 -1.241 1.00 0.00 O ATOM 241 CB THR A 18 -7.791 -11.894 -4.031 1.00 0.00 C ATOM 242 OG1 THR A 18 -7.102 -12.086 -5.271 1.00 0.00 O ATOM 243 CG2 THR A 18 -9.291 -11.849 -4.280 1.00 0.00 C ATOM 0 H THR A 18 -5.555 -11.336 -2.478 1.00 0.00 H new ATOM 0 HA THR A 18 -7.514 -9.754 -4.017 1.00 0.00 H new ATOM 0 HB THR A 18 -7.574 -12.727 -3.363 1.00 0.00 H new ATOM 0 HG1 THR A 18 -7.413 -12.914 -5.693 1.00 0.00 H new ATOM 0 HG21 THR A 18 -9.609 -12.776 -4.757 1.00 0.00 H new ATOM 0 HG22 THR A 18 -9.814 -11.732 -3.331 1.00 0.00 H new ATOM 0 HG23 THR A 18 -9.527 -11.007 -4.930 1.00 0.00 H new ATOM 251 N SER A 19 -8.590 -9.201 -1.842 1.00 0.00 N ATOM 252 CA SER A 19 -9.336 -8.888 -0.629 1.00 0.00 C ATOM 253 C SER A 19 -10.599 -9.738 -0.533 1.00 0.00 C ATOM 254 O SER A 19 -11.356 -9.853 -1.496 1.00 0.00 O ATOM 255 CB SER A 19 -9.704 -7.403 -0.599 1.00 0.00 C ATOM 256 OG SER A 19 -10.593 -7.077 -1.653 1.00 0.00 O ATOM 0 H SER A 19 -8.512 -8.426 -2.501 1.00 0.00 H new ATOM 0 HA SER A 19 -8.700 -9.115 0.227 1.00 0.00 H new ATOM 0 HB2 SER A 19 -10.164 -7.158 0.358 1.00 0.00 H new ATOM 0 HB3 SER A 19 -8.800 -6.799 -0.681 1.00 0.00 H new ATOM 0 HG SER A 19 -11.165 -7.848 -1.849 1.00 0.00 H new ATOM 262 N GLN A 20 -10.818 -10.333 0.635 1.00 0.00 N ATOM 263 CA GLN A 20 -11.990 -11.173 0.857 1.00 0.00 C ATOM 264 C GLN A 20 -13.233 -10.323 1.094 1.00 0.00 C ATOM 265 O GLN A 20 -14.321 -10.653 0.625 1.00 0.00 O ATOM 266 CB GLN A 20 -11.757 -12.103 2.048 1.00 0.00 C ATOM 267 CG GLN A 20 -10.993 -13.368 1.693 1.00 0.00 C ATOM 268 CD GLN A 20 -9.583 -13.083 1.215 1.00 0.00 C ATOM 269 OE1 GLN A 20 -8.976 -12.083 1.596 1.00 0.00 O ATOM 270 NE2 GLN A 20 -9.054 -13.965 0.374 1.00 0.00 N ATOM 0 H GLN A 20 -10.200 -10.249 1.442 1.00 0.00 H new ATOM 0 HA GLN A 20 -12.151 -11.774 -0.038 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -11.208 -11.562 2.819 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -12.720 -12.379 2.477 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -10.952 -14.020 2.565 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -11.534 -13.909 0.916 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -9.594 -14.781 0.084 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -8.108 -13.826 0.018 1.00 0.00 H new ATOM 279 N SER A 21 -13.063 -9.227 1.827 1.00 0.00 N ATOM 280 CA SER A 21 -14.173 -8.332 2.132 1.00 0.00 C ATOM 281 C SER A 21 -13.801 -6.883 1.828 1.00 0.00 C ATOM 282 O SER A 21 -12.673 -6.590 1.432 1.00 0.00 O ATOM 283 CB SER A 21 -14.579 -8.468 3.600 1.00 0.00 C ATOM 284 OG SER A 21 -15.564 -9.473 3.766 1.00 0.00 O ATOM 0 H SER A 21 -12.167 -8.938 2.220 1.00 0.00 H new ATOM 0 HA SER A 21 -15.017 -8.613 1.502 1.00 0.00 H new ATOM 0 HB2 SER A 21 -13.703 -8.710 4.202 1.00 0.00 H new ATOM 0 HB3 SER A 21 -14.962 -7.515 3.964 1.00 0.00 H new ATOM 0 HG SER A 21 -15.805 -9.541 4.713 1.00 0.00 H new ATOM 290 N LYS A 22 -14.758 -5.981 2.017 1.00 0.00 N ATOM 291 CA LYS A 22 -14.533 -4.562 1.765 1.00 0.00 C ATOM 292 C LYS A 22 -13.435 -4.016 2.670 1.00 0.00 C ATOM 293 O LYS A 22 -12.636 -3.176 2.256 1.00 0.00 O ATOM 294 CB LYS A 22 -15.827 -3.774 1.982 1.00 0.00 C ATOM 295 CG LYS A 22 -16.412 -3.936 3.375 1.00 0.00 C ATOM 296 CD LYS A 22 -17.706 -3.157 3.531 1.00 0.00 C ATOM 297 CE LYS A 22 -18.216 -3.204 4.963 1.00 0.00 C ATOM 298 NZ LYS A 22 -17.509 -2.225 5.835 1.00 0.00 N ATOM 0 H LYS A 22 -15.697 -6.207 2.344 1.00 0.00 H new ATOM 0 HA LYS A 22 -14.214 -4.448 0.729 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -15.634 -2.717 1.799 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -16.565 -4.095 1.247 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -16.596 -4.992 3.573 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -15.689 -3.594 4.116 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -17.546 -2.120 3.235 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -18.462 -3.567 2.861 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -19.286 -2.995 4.975 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -18.083 -4.209 5.363 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -17.885 -2.287 6.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -16.491 -2.440 5.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -17.657 -1.263 5.468 1.00 0.00 H new ATOM 312 N ASP A 23 -13.398 -4.500 3.907 1.00 0.00 N ATOM 313 CA ASP A 23 -12.395 -4.063 4.870 1.00 0.00 C ATOM 314 C ASP A 23 -10.996 -4.127 4.265 1.00 0.00 C ATOM 315 O ASP A 23 -10.135 -3.307 4.582 1.00 0.00 O ATOM 316 CB ASP A 23 -12.458 -4.924 6.132 1.00 0.00 C ATOM 317 CG ASP A 23 -11.650 -6.200 6.004 1.00 0.00 C ATOM 318 OD1 ASP A 23 -12.165 -7.171 5.412 1.00 0.00 O ATOM 319 OD2 ASP A 23 -10.502 -6.227 6.496 1.00 0.00 O ATOM 0 H ASP A 23 -14.052 -5.196 4.266 1.00 0.00 H new ATOM 0 HA ASP A 23 -12.610 -3.028 5.135 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -12.089 -4.347 6.980 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -13.497 -5.175 6.345 1.00 0.00 H new ATOM 324 N GLU A 24 -10.778 -5.108 3.394 1.00 0.00 N ATOM 325 CA GLU A 24 -9.483 -5.280 2.747 1.00 0.00 C ATOM 326 C GLU A 24 -9.547 -4.860 1.281 1.00 0.00 C ATOM 327 O GLU A 24 -10.610 -4.892 0.662 1.00 0.00 O ATOM 328 CB GLU A 24 -9.024 -6.736 2.853 1.00 0.00 C ATOM 329 CG GLU A 24 -8.259 -7.041 4.130 1.00 0.00 C ATOM 330 CD GLU A 24 -8.328 -8.507 4.513 1.00 0.00 C ATOM 331 OE1 GLU A 24 -7.716 -9.334 3.808 1.00 0.00 O ATOM 332 OE2 GLU A 24 -8.995 -8.825 5.521 1.00 0.00 O ATOM 0 H GLU A 24 -11.481 -5.795 3.121 1.00 0.00 H new ATOM 0 HA GLU A 24 -8.762 -4.642 3.258 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -9.896 -7.388 2.797 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -8.393 -6.973 1.996 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -7.216 -6.751 4.003 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -8.661 -6.437 4.943 1.00 0.00 H new ATOM 339 N ILE A 25 -8.402 -4.466 0.735 1.00 0.00 N ATOM 340 CA ILE A 25 -8.328 -4.041 -0.658 1.00 0.00 C ATOM 341 C ILE A 25 -7.407 -4.952 -1.462 1.00 0.00 C ATOM 342 O ILE A 25 -6.297 -5.265 -1.033 1.00 0.00 O ATOM 343 CB ILE A 25 -7.828 -2.589 -0.778 1.00 0.00 C ATOM 344 CG1 ILE A 25 -8.164 -2.023 -2.159 1.00 0.00 C ATOM 345 CG2 ILE A 25 -6.330 -2.522 -0.522 1.00 0.00 C ATOM 346 CD1 ILE A 25 -8.147 -0.512 -2.213 1.00 0.00 C ATOM 0 H ILE A 25 -7.513 -4.432 1.235 1.00 0.00 H new ATOM 0 HA ILE A 25 -9.339 -4.103 -1.061 1.00 0.00 H new ATOM 0 HB ILE A 25 -8.333 -1.983 -0.026 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -7.451 -2.412 -2.886 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -9.150 -2.378 -2.458 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -5.992 -1.490 -0.610 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -6.116 -2.890 0.482 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -5.808 -3.139 -1.253 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -8.394 -0.181 -3.222 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -8.880 -0.115 -1.511 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -7.155 -0.149 -1.945 1.00 0.00 H new ATOM 358 N GLY A 26 -7.874 -5.372 -2.634 1.00 0.00 N ATOM 359 CA GLY A 26 -7.079 -6.241 -3.482 1.00 0.00 C ATOM 360 C GLY A 26 -6.444 -5.498 -4.640 1.00 0.00 C ATOM 361 O GLY A 26 -7.109 -4.728 -5.333 1.00 0.00 O ATOM 0 H GLY A 26 -8.789 -5.126 -3.011 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -6.298 -6.712 -2.884 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -7.710 -7.041 -3.870 1.00 0.00 H new ATOM 365 N PHE A 27 -5.152 -5.728 -4.851 1.00 0.00 N ATOM 366 CA PHE A 27 -4.425 -5.072 -5.932 1.00 0.00 C ATOM 367 C PHE A 27 -3.575 -6.078 -6.704 1.00 0.00 C ATOM 368 O PHE A 27 -3.565 -7.267 -6.390 1.00 0.00 O ATOM 369 CB PHE A 27 -3.538 -3.957 -5.376 1.00 0.00 C ATOM 370 CG PHE A 27 -2.860 -4.318 -4.085 1.00 0.00 C ATOM 371 CD1 PHE A 27 -1.950 -5.362 -4.033 1.00 0.00 C ATOM 372 CD2 PHE A 27 -3.134 -3.615 -2.924 1.00 0.00 C ATOM 373 CE1 PHE A 27 -1.324 -5.697 -2.847 1.00 0.00 C ATOM 374 CE2 PHE A 27 -2.510 -3.944 -1.735 1.00 0.00 C ATOM 375 CZ PHE A 27 -1.606 -4.988 -1.696 1.00 0.00 C ATOM 0 H PHE A 27 -4.587 -6.364 -4.288 1.00 0.00 H new ATOM 0 HA PHE A 27 -5.154 -4.638 -6.616 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -2.780 -3.703 -6.117 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -4.144 -3.064 -5.222 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -1.727 -5.921 -4.930 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -3.843 -2.801 -2.948 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -0.616 -6.512 -2.821 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -2.729 -3.385 -0.837 1.00 0.00 H new ATOM 0 HZ PHE A 27 -1.121 -5.249 -0.767 1.00 0.00 H new ATOM 385 N GLU A 28 -2.865 -5.589 -7.716 1.00 0.00 N ATOM 386 CA GLU A 28 -2.013 -6.445 -8.534 1.00 0.00 C ATOM 387 C GLU A 28 -0.549 -6.303 -8.127 1.00 0.00 C ATOM 388 O GLU A 28 -0.209 -5.503 -7.256 1.00 0.00 O ATOM 389 CB GLU A 28 -2.177 -6.100 -10.014 1.00 0.00 C ATOM 390 CG GLU A 28 -1.676 -4.712 -10.376 1.00 0.00 C ATOM 391 CD GLU A 28 -1.476 -4.534 -11.869 1.00 0.00 C ATOM 392 OE1 GLU A 28 -2.480 -4.319 -12.580 1.00 0.00 O ATOM 393 OE2 GLU A 28 -0.317 -4.609 -12.326 1.00 0.00 O ATOM 0 H GLU A 28 -2.863 -4.606 -7.989 1.00 0.00 H new ATOM 0 HA GLU A 28 -2.319 -7.479 -8.373 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -1.641 -6.837 -10.612 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -3.231 -6.178 -10.282 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -2.388 -3.968 -10.017 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -0.733 -4.525 -9.862 1.00 0.00 H new ATOM 400 N LYS A 29 0.314 -7.088 -8.763 1.00 0.00 N ATOM 401 CA LYS A 29 1.742 -7.052 -8.470 1.00 0.00 C ATOM 402 C LYS A 29 2.477 -6.155 -9.460 1.00 0.00 C ATOM 403 O LYS A 29 2.487 -6.416 -10.661 1.00 0.00 O ATOM 404 CB LYS A 29 2.328 -8.465 -8.512 1.00 0.00 C ATOM 405 CG LYS A 29 3.799 -8.502 -8.891 1.00 0.00 C ATOM 406 CD LYS A 29 4.302 -9.929 -9.031 1.00 0.00 C ATOM 407 CE LYS A 29 5.805 -9.969 -9.264 1.00 0.00 C ATOM 408 NZ LYS A 29 6.238 -11.259 -9.870 1.00 0.00 N ATOM 0 H LYS A 29 0.049 -7.758 -9.485 1.00 0.00 H new ATOM 0 HA LYS A 29 1.872 -6.642 -7.469 1.00 0.00 H new ATOM 0 HB2 LYS A 29 2.201 -8.931 -7.535 1.00 0.00 H new ATOM 0 HB3 LYS A 29 1.762 -9.063 -9.226 1.00 0.00 H new ATOM 0 HG2 LYS A 29 3.947 -7.969 -9.830 1.00 0.00 H new ATOM 0 HG3 LYS A 29 4.384 -7.981 -8.133 1.00 0.00 H new ATOM 0 HD2 LYS A 29 4.057 -10.492 -8.131 1.00 0.00 H new ATOM 0 HD3 LYS A 29 3.791 -10.417 -9.861 1.00 0.00 H new ATOM 0 HE2 LYS A 29 6.093 -9.146 -9.918 1.00 0.00 H new ATOM 0 HE3 LYS A 29 6.323 -9.820 -8.317 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 7.268 -11.247 -10.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 5.986 -12.043 -9.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 5.763 -11.389 -10.786 1.00 0.00 H new ATOM 422 N GLY A 30 3.096 -5.095 -8.946 1.00 0.00 N ATOM 423 CA GLY A 30 3.827 -4.177 -9.798 1.00 0.00 C ATOM 424 C GLY A 30 3.208 -2.794 -9.826 1.00 0.00 C ATOM 425 O GLY A 30 3.356 -2.059 -10.802 1.00 0.00 O ATOM 0 H GLY A 30 3.103 -4.857 -7.954 1.00 0.00 H new ATOM 0 HA2 GLY A 30 4.857 -4.104 -9.448 1.00 0.00 H new ATOM 0 HA3 GLY A 30 3.862 -4.577 -10.812 1.00 0.00 H new ATOM 429 N VAL A 31 2.511 -2.438 -8.752 1.00 0.00 N ATOM 430 CA VAL A 31 1.865 -1.134 -8.657 1.00 0.00 C ATOM 431 C VAL A 31 2.341 -0.374 -7.425 1.00 0.00 C ATOM 432 O VAL A 31 2.899 -0.960 -6.495 1.00 0.00 O ATOM 433 CB VAL A 31 0.332 -1.269 -8.603 1.00 0.00 C ATOM 434 CG1 VAL A 31 -0.220 -1.645 -9.969 1.00 0.00 C ATOM 435 CG2 VAL A 31 -0.075 -2.292 -7.554 1.00 0.00 C ATOM 0 H VAL A 31 2.379 -3.034 -7.935 1.00 0.00 H new ATOM 0 HA VAL A 31 2.141 -0.578 -9.553 1.00 0.00 H new ATOM 0 HB VAL A 31 -0.091 -0.305 -8.321 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -1.305 -1.736 -9.911 1.00 0.00 H new ATOM 0 HG12 VAL A 31 0.041 -0.872 -10.692 1.00 0.00 H new ATOM 0 HG13 VAL A 31 0.207 -2.597 -10.285 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -1.162 -2.375 -7.529 1.00 0.00 H new ATOM 0 HG22 VAL A 31 0.357 -3.261 -7.804 1.00 0.00 H new ATOM 0 HG23 VAL A 31 0.287 -1.974 -6.576 1.00 0.00 H new ATOM 445 N THR A 32 2.120 0.937 -7.421 1.00 0.00 N ATOM 446 CA THR A 32 2.526 1.779 -6.303 1.00 0.00 C ATOM 447 C THR A 32 1.368 2.010 -5.339 1.00 0.00 C ATOM 448 O THR A 32 0.239 2.263 -5.757 1.00 0.00 O ATOM 449 CB THR A 32 3.053 3.142 -6.789 1.00 0.00 C ATOM 450 OG1 THR A 32 4.166 2.952 -7.670 1.00 0.00 O ATOM 451 CG2 THR A 32 3.474 4.011 -5.613 1.00 0.00 C ATOM 0 H THR A 32 1.661 1.439 -8.181 1.00 0.00 H new ATOM 0 HA THR A 32 3.327 1.251 -5.785 1.00 0.00 H new ATOM 0 HB THR A 32 2.249 3.647 -7.324 1.00 0.00 H new ATOM 0 HG1 THR A 32 4.494 3.824 -7.976 1.00 0.00 H new ATOM 0 HG21 THR A 32 3.843 4.968 -5.982 1.00 0.00 H new ATOM 0 HG22 THR A 32 2.618 4.179 -4.960 1.00 0.00 H new ATOM 0 HG23 THR A 32 4.264 3.509 -5.054 1.00 0.00 H new ATOM 459 N VAL A 33 1.656 1.918 -4.044 1.00 0.00 N ATOM 460 CA VAL A 33 0.638 2.118 -3.019 1.00 0.00 C ATOM 461 C VAL A 33 1.112 3.110 -1.962 1.00 0.00 C ATOM 462 O VAL A 33 2.311 3.291 -1.759 1.00 0.00 O ATOM 463 CB VAL A 33 0.264 0.792 -2.332 1.00 0.00 C ATOM 464 CG1 VAL A 33 -0.194 -0.231 -3.361 1.00 0.00 C ATOM 465 CG2 VAL A 33 1.440 0.259 -1.526 1.00 0.00 C ATOM 0 H VAL A 33 2.585 1.706 -3.680 1.00 0.00 H new ATOM 0 HA VAL A 33 -0.243 2.518 -3.521 1.00 0.00 H new ATOM 0 HB VAL A 33 -0.562 0.978 -1.646 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -0.454 -1.162 -2.858 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -1.067 0.151 -3.891 1.00 0.00 H new ATOM 0 HG13 VAL A 33 0.610 -0.416 -4.073 1.00 0.00 H new ATOM 0 HG21 VAL A 33 1.158 -0.679 -1.047 1.00 0.00 H new ATOM 0 HG22 VAL A 33 2.288 0.087 -2.189 1.00 0.00 H new ATOM 0 HG23 VAL A 33 1.718 0.986 -0.763 1.00 0.00 H new ATOM 475 N GLU A 34 0.159 3.749 -1.290 1.00 0.00 N ATOM 476 CA GLU A 34 0.478 4.723 -0.253 1.00 0.00 C ATOM 477 C GLU A 34 0.068 4.207 1.123 1.00 0.00 C ATOM 478 O GLU A 34 -1.080 3.819 1.336 1.00 0.00 O ATOM 479 CB GLU A 34 -0.219 6.054 -0.538 1.00 0.00 C ATOM 480 CG GLU A 34 0.580 6.978 -1.443 1.00 0.00 C ATOM 481 CD GLU A 34 -0.265 8.090 -2.033 1.00 0.00 C ATOM 482 OE1 GLU A 34 -1.427 7.819 -2.403 1.00 0.00 O ATOM 483 OE2 GLU A 34 0.236 9.230 -2.126 1.00 0.00 O ATOM 0 H GLU A 34 -0.839 3.610 -1.445 1.00 0.00 H new ATOM 0 HA GLU A 34 1.557 4.878 -0.258 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -1.187 5.856 -0.998 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -0.413 6.563 0.406 1.00 0.00 H new ATOM 0 HG2 GLU A 34 1.403 7.414 -0.876 1.00 0.00 H new ATOM 0 HG3 GLU A 34 1.023 6.396 -2.251 1.00 0.00 H new ATOM 490 N VAL A 35 1.017 4.205 2.055 1.00 0.00 N ATOM 491 CA VAL A 35 0.754 3.736 3.411 1.00 0.00 C ATOM 492 C VAL A 35 0.270 4.875 4.301 1.00 0.00 C ATOM 493 O VAL A 35 1.043 5.759 4.673 1.00 0.00 O ATOM 494 CB VAL A 35 2.011 3.108 4.041 1.00 0.00 C ATOM 495 CG1 VAL A 35 1.674 2.462 5.376 1.00 0.00 C ATOM 496 CG2 VAL A 35 2.633 2.095 3.090 1.00 0.00 C ATOM 0 H VAL A 35 1.973 4.522 1.896 1.00 0.00 H new ATOM 0 HA VAL A 35 -0.025 2.977 3.338 1.00 0.00 H new ATOM 0 HB VAL A 35 2.740 3.898 4.222 1.00 0.00 H new ATOM 0 HG11 VAL A 35 2.575 2.024 5.806 1.00 0.00 H new ATOM 0 HG12 VAL A 35 1.278 3.216 6.056 1.00 0.00 H new ATOM 0 HG13 VAL A 35 0.928 1.682 5.225 1.00 0.00 H new ATOM 0 HG21 VAL A 35 3.520 1.661 3.551 1.00 0.00 H new ATOM 0 HG22 VAL A 35 1.912 1.306 2.876 1.00 0.00 H new ATOM 0 HG23 VAL A 35 2.913 2.592 2.161 1.00 0.00 H new ATOM 506 N ILE A 36 -1.015 4.848 4.640 1.00 0.00 N ATOM 507 CA ILE A 36 -1.603 5.877 5.488 1.00 0.00 C ATOM 508 C ILE A 36 -1.233 5.662 6.952 1.00 0.00 C ATOM 509 O ILE A 36 -0.527 6.474 7.551 1.00 0.00 O ATOM 510 CB ILE A 36 -3.137 5.908 5.357 1.00 0.00 C ATOM 511 CG1 ILE A 36 -3.542 6.227 3.917 1.00 0.00 C ATOM 512 CG2 ILE A 36 -3.731 6.926 6.319 1.00 0.00 C ATOM 513 CD1 ILE A 36 -5.026 6.088 3.662 1.00 0.00 C ATOM 0 H ILE A 36 -1.668 4.124 4.340 1.00 0.00 H new ATOM 0 HA ILE A 36 -1.199 6.831 5.150 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.528 4.924 5.614 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -3.234 7.245 3.679 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -3.002 5.564 3.241 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -4.816 6.936 6.214 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -3.468 6.657 7.342 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -3.336 7.916 6.091 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -5.240 6.329 2.621 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -5.336 5.064 3.868 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -5.573 6.771 4.313 1.00 0.00 H new ATOM 525 N ARG A 37 -1.713 4.561 7.522 1.00 0.00 N ATOM 526 CA ARG A 37 -1.432 4.238 8.916 1.00 0.00 C ATOM 527 C ARG A 37 -0.892 2.816 9.045 1.00 0.00 C ATOM 528 O ARG A 37 -1.085 1.983 8.159 1.00 0.00 O ATOM 529 CB ARG A 37 -2.697 4.393 9.762 1.00 0.00 C ATOM 530 CG ARG A 37 -3.026 5.837 10.105 1.00 0.00 C ATOM 531 CD ARG A 37 -4.076 5.924 11.201 1.00 0.00 C ATOM 532 NE ARG A 37 -3.920 7.126 12.015 1.00 0.00 N ATOM 533 CZ ARG A 37 -4.731 7.444 13.018 1.00 0.00 C ATOM 534 NH1 ARG A 37 -5.748 6.654 13.330 1.00 0.00 N ATOM 535 NH2 ARG A 37 -4.524 8.556 13.713 1.00 0.00 N ATOM 0 H ARG A 37 -2.298 3.878 7.040 1.00 0.00 H new ATOM 0 HA ARG A 37 -0.673 4.931 9.279 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -3.539 3.955 9.226 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -2.578 3.827 10.686 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -2.120 6.351 10.426 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -3.386 6.351 9.214 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -5.069 5.917 10.752 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -4.008 5.043 11.839 1.00 0.00 H new ATOM 0 HE ARG A 37 -3.146 7.756 11.802 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -5.910 5.798 12.799 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -6.368 6.902 14.101 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -3.742 9.167 13.477 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -5.147 8.800 14.483 1.00 0.00 H new ATOM 549 N LYS A 38 -0.214 2.546 10.155 1.00 0.00 N ATOM 550 CA LYS A 38 0.354 1.226 10.403 1.00 0.00 C ATOM 551 C LYS A 38 -0.097 0.684 11.755 1.00 0.00 C ATOM 552 O LYS A 38 -0.459 1.448 12.650 1.00 0.00 O ATOM 553 CB LYS A 38 1.882 1.288 10.350 1.00 0.00 C ATOM 554 CG LYS A 38 2.436 1.464 8.947 1.00 0.00 C ATOM 555 CD LYS A 38 3.907 1.846 8.971 1.00 0.00 C ATOM 556 CE LYS A 38 4.609 1.443 7.683 1.00 0.00 C ATOM 557 NZ LYS A 38 5.772 2.324 7.387 1.00 0.00 N ATOM 0 H LYS A 38 -0.044 3.224 10.898 1.00 0.00 H new ATOM 0 HA LYS A 38 -0.004 0.552 9.624 1.00 0.00 H new ATOM 0 HB2 LYS A 38 2.225 2.114 10.973 1.00 0.00 H new ATOM 0 HB3 LYS A 38 2.289 0.373 10.780 1.00 0.00 H new ATOM 0 HG2 LYS A 38 2.309 0.538 8.386 1.00 0.00 H new ATOM 0 HG3 LYS A 38 1.868 2.234 8.425 1.00 0.00 H new ATOM 0 HD2 LYS A 38 4.002 2.922 9.117 1.00 0.00 H new ATOM 0 HD3 LYS A 38 4.395 1.365 9.819 1.00 0.00 H new ATOM 0 HE2 LYS A 38 4.947 0.410 7.761 1.00 0.00 H new ATOM 0 HE3 LYS A 38 3.901 1.485 6.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 6.224 2.017 6.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 5.447 3.307 7.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 6.459 2.265 8.165 1.00 0.00 H new ATOM 571 N ASN A 39 -0.069 -0.636 11.898 1.00 0.00 N ATOM 572 CA ASN A 39 -0.475 -1.280 13.142 1.00 0.00 C ATOM 573 C ASN A 39 -0.037 -2.741 13.168 1.00 0.00 C ATOM 574 O ASN A 39 0.121 -3.371 12.121 1.00 0.00 O ATOM 575 CB ASN A 39 -1.992 -1.187 13.319 1.00 0.00 C ATOM 576 CG ASN A 39 -2.436 0.184 13.791 1.00 0.00 C ATOM 577 OD1 ASN A 39 -1.937 0.700 14.792 1.00 0.00 O ATOM 578 ND2 ASN A 39 -3.379 0.780 13.072 1.00 0.00 N ATOM 0 H ASN A 39 0.231 -1.282 11.168 1.00 0.00 H new ATOM 0 HA ASN A 39 0.012 -0.759 13.966 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -2.480 -1.418 12.372 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -2.318 -1.939 14.038 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -3.719 1.703 13.342 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -3.764 0.315 12.250 1.00 0.00 H new ATOM 585 N LEU A 40 0.156 -3.275 14.369 1.00 0.00 N ATOM 586 CA LEU A 40 0.574 -4.662 14.532 1.00 0.00 C ATOM 587 C LEU A 40 1.659 -5.026 13.523 1.00 0.00 C ATOM 588 O LEU A 40 1.814 -6.190 13.156 1.00 0.00 O ATOM 589 CB LEU A 40 -0.624 -5.599 14.369 1.00 0.00 C ATOM 590 CG LEU A 40 -1.484 -5.811 15.616 1.00 0.00 C ATOM 591 CD1 LEU A 40 -0.686 -6.516 16.701 1.00 0.00 C ATOM 592 CD2 LEU A 40 -2.023 -4.482 16.123 1.00 0.00 C ATOM 0 H LEU A 40 0.029 -2.768 15.245 1.00 0.00 H new ATOM 0 HA LEU A 40 0.983 -4.776 15.536 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -1.260 -5.208 13.575 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -0.258 -6.570 14.035 1.00 0.00 H new ATOM 0 HG LEU A 40 -2.330 -6.444 15.348 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -1.314 -6.658 17.580 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -0.351 -7.486 16.334 1.00 0.00 H new ATOM 0 HD13 LEU A 40 0.180 -5.910 16.968 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -2.633 -4.651 17.011 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.191 -3.824 16.374 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -2.632 -4.017 15.348 1.00 0.00 H new ATOM 604 N GLU A 41 2.409 -4.021 13.080 1.00 0.00 N ATOM 605 CA GLU A 41 3.481 -4.236 12.116 1.00 0.00 C ATOM 606 C GLU A 41 3.059 -5.243 11.049 1.00 0.00 C ATOM 607 O GLU A 41 3.884 -5.986 10.520 1.00 0.00 O ATOM 608 CB GLU A 41 4.745 -4.727 12.824 1.00 0.00 C ATOM 609 CG GLU A 41 5.178 -3.840 13.979 1.00 0.00 C ATOM 610 CD GLU A 41 6.625 -4.063 14.374 1.00 0.00 C ATOM 611 OE1 GLU A 41 7.499 -3.999 13.483 1.00 0.00 O ATOM 612 OE2 GLU A 41 6.884 -4.299 15.572 1.00 0.00 O ATOM 0 H GLU A 41 2.294 -3.051 13.373 1.00 0.00 H new ATOM 0 HA GLU A 41 3.693 -3.284 11.630 1.00 0.00 H new ATOM 0 HB2 GLU A 41 4.574 -5.737 13.197 1.00 0.00 H new ATOM 0 HB3 GLU A 41 5.557 -4.788 12.099 1.00 0.00 H new ATOM 0 HG2 GLU A 41 5.038 -2.795 13.702 1.00 0.00 H new ATOM 0 HG3 GLU A 41 4.537 -4.031 14.839 1.00 0.00 H new ATOM 619 N GLY A 42 1.765 -5.261 10.739 1.00 0.00 N ATOM 620 CA GLY A 42 1.256 -6.180 9.739 1.00 0.00 C ATOM 621 C GLY A 42 0.153 -5.568 8.898 1.00 0.00 C ATOM 622 O GLY A 42 0.133 -5.727 7.677 1.00 0.00 O ATOM 0 H GLY A 42 1.062 -4.656 11.163 1.00 0.00 H new ATOM 0 HA2 GLY A 42 2.073 -6.494 9.089 1.00 0.00 H new ATOM 0 HA3 GLY A 42 0.878 -7.076 10.232 1.00 0.00 H new ATOM 626 N TRP A 43 -0.768 -4.867 9.551 1.00 0.00 N ATOM 627 CA TRP A 43 -1.880 -4.230 8.854 1.00 0.00 C ATOM 628 C TRP A 43 -1.651 -2.729 8.724 1.00 0.00 C ATOM 629 O TRP A 43 -1.787 -1.984 9.695 1.00 0.00 O ATOM 630 CB TRP A 43 -3.191 -4.497 9.594 1.00 0.00 C ATOM 631 CG TRP A 43 -3.796 -5.828 9.268 1.00 0.00 C ATOM 632 CD1 TRP A 43 -4.020 -6.862 10.133 1.00 0.00 C ATOM 633 CD2 TRP A 43 -4.255 -6.271 7.985 1.00 0.00 C ATOM 634 NE1 TRP A 43 -4.589 -7.919 9.466 1.00 0.00 N ATOM 635 CE2 TRP A 43 -4.744 -7.582 8.147 1.00 0.00 C ATOM 636 CE3 TRP A 43 -4.300 -5.686 6.717 1.00 0.00 C ATOM 637 CZ2 TRP A 43 -5.270 -8.315 7.088 1.00 0.00 C ATOM 638 CZ3 TRP A 43 -4.823 -6.416 5.666 1.00 0.00 C ATOM 639 CH2 TRP A 43 -5.303 -7.719 5.856 1.00 0.00 C ATOM 0 H TRP A 43 -0.767 -4.726 10.561 1.00 0.00 H new ATOM 0 HA TRP A 43 -1.943 -4.657 7.853 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -3.012 -4.440 10.668 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -3.905 -3.711 9.348 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -3.784 -6.850 11.187 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -4.853 -8.811 9.885 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -3.933 -4.682 6.561 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -5.640 -9.319 7.233 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -4.862 -5.974 4.681 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -5.706 -8.263 5.015 1.00 0.00 H new ATOM 650 N TRP A 44 -1.306 -2.289 7.519 1.00 0.00 N ATOM 651 CA TRP A 44 -1.060 -0.875 7.263 1.00 0.00 C ATOM 652 C TRP A 44 -2.072 -0.318 6.267 1.00 0.00 C ATOM 653 O TRP A 44 -1.981 -0.574 5.066 1.00 0.00 O ATOM 654 CB TRP A 44 0.360 -0.670 6.734 1.00 0.00 C ATOM 655 CG TRP A 44 1.388 -1.478 7.466 1.00 0.00 C ATOM 656 CD1 TRP A 44 1.288 -1.980 8.733 1.00 0.00 C ATOM 657 CD2 TRP A 44 2.673 -1.877 6.976 1.00 0.00 C ATOM 658 NE1 TRP A 44 2.433 -2.666 9.059 1.00 0.00 N ATOM 659 CE2 TRP A 44 3.298 -2.619 7.997 1.00 0.00 C ATOM 660 CE3 TRP A 44 3.356 -1.682 5.772 1.00 0.00 C ATOM 661 CZ2 TRP A 44 4.571 -3.161 7.852 1.00 0.00 C ATOM 662 CZ3 TRP A 44 4.620 -2.222 5.628 1.00 0.00 C ATOM 663 CH2 TRP A 44 5.217 -2.955 6.662 1.00 0.00 C ATOM 0 H TRP A 44 -1.190 -2.891 6.704 1.00 0.00 H new ATOM 0 HA TRP A 44 -1.170 -0.337 8.204 1.00 0.00 H new ATOM 0 HB2 TRP A 44 0.388 -0.932 5.676 1.00 0.00 H new ATOM 0 HB3 TRP A 44 0.619 0.386 6.807 1.00 0.00 H new ATOM 0 HD1 TRP A 44 0.434 -1.856 9.383 1.00 0.00 H new ATOM 0 HE1 TRP A 44 2.610 -3.134 9.948 1.00 0.00 H new ATOM 0 HE3 TRP A 44 2.904 -1.119 4.969 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 5.033 -3.724 8.649 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 5.157 -2.076 4.702 1.00 0.00 H new ATOM 0 HH2 TRP A 44 6.206 -3.365 6.518 1.00 0.00 H new ATOM 674 N TYR A 45 -3.035 0.445 6.772 1.00 0.00 N ATOM 675 CA TYR A 45 -4.065 1.036 5.926 1.00 0.00 C ATOM 676 C TYR A 45 -3.442 1.782 4.750 1.00 0.00 C ATOM 677 O TYR A 45 -2.816 2.828 4.925 1.00 0.00 O ATOM 678 CB TYR A 45 -4.940 1.989 6.743 1.00 0.00 C ATOM 679 CG TYR A 45 -6.302 2.232 6.133 1.00 0.00 C ATOM 680 CD1 TYR A 45 -7.242 1.212 6.054 1.00 0.00 C ATOM 681 CD2 TYR A 45 -6.649 3.483 5.637 1.00 0.00 C ATOM 682 CE1 TYR A 45 -8.487 1.430 5.497 1.00 0.00 C ATOM 683 CE2 TYR A 45 -7.893 3.710 5.080 1.00 0.00 C ATOM 684 CZ TYR A 45 -8.808 2.681 5.011 1.00 0.00 C ATOM 685 OH TYR A 45 -10.048 2.902 4.457 1.00 0.00 O ATOM 0 H TYR A 45 -3.124 0.669 7.763 1.00 0.00 H new ATOM 0 HA TYR A 45 -4.685 0.230 5.534 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -5.068 1.582 7.746 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -4.423 2.943 6.849 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -6.995 0.232 6.435 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -5.934 4.291 5.688 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -9.206 0.626 5.442 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -8.147 4.689 4.701 1.00 0.00 H new ATOM 0 HH TYR A 45 -10.314 2.121 3.928 1.00 0.00 H new ATOM 695 N ILE A 46 -3.619 1.237 3.551 1.00 0.00 N ATOM 696 CA ILE A 46 -3.076 1.850 2.346 1.00 0.00 C ATOM 697 C ILE A 46 -4.191 2.282 1.400 1.00 0.00 C ATOM 698 O ILE A 46 -5.360 1.953 1.609 1.00 0.00 O ATOM 699 CB ILE A 46 -2.131 0.888 1.602 1.00 0.00 C ATOM 700 CG1 ILE A 46 -2.891 -0.360 1.148 1.00 0.00 C ATOM 701 CG2 ILE A 46 -0.956 0.507 2.489 1.00 0.00 C ATOM 702 CD1 ILE A 46 -2.314 -1.002 -0.094 1.00 0.00 C ATOM 0 H ILE A 46 -4.134 0.372 3.389 1.00 0.00 H new ATOM 0 HA ILE A 46 -2.512 2.727 2.664 1.00 0.00 H new ATOM 0 HB ILE A 46 -1.743 1.395 0.718 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -2.891 -1.090 1.958 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -3.931 -0.093 0.959 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -0.298 -0.173 1.949 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -0.403 1.405 2.765 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -1.324 0.016 3.390 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -2.903 -1.880 -0.357 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -2.339 -0.288 -0.918 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -1.283 -1.300 0.096 1.00 0.00 H new ATOM 714 N ARG A 47 -3.823 3.022 0.359 1.00 0.00 N ATOM 715 CA ARG A 47 -4.792 3.501 -0.620 1.00 0.00 C ATOM 716 C ARG A 47 -4.316 3.211 -2.041 1.00 0.00 C ATOM 717 O ARG A 47 -3.194 3.555 -2.413 1.00 0.00 O ATOM 718 CB ARG A 47 -5.028 5.002 -0.445 1.00 0.00 C ATOM 719 CG ARG A 47 -5.831 5.628 -1.573 1.00 0.00 C ATOM 720 CD ARG A 47 -5.985 7.128 -1.381 1.00 0.00 C ATOM 721 NE ARG A 47 -4.694 7.804 -1.285 1.00 0.00 N ATOM 722 CZ ARG A 47 -4.540 9.027 -0.789 1.00 0.00 C ATOM 723 NH1 ARG A 47 -5.591 9.704 -0.348 1.00 0.00 N ATOM 724 NH2 ARG A 47 -3.333 9.574 -0.735 1.00 0.00 N ATOM 0 H ARG A 47 -2.861 3.303 0.172 1.00 0.00 H new ATOM 0 HA ARG A 47 -5.731 2.972 -0.454 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -5.548 5.172 0.498 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -4.065 5.507 -0.373 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -5.338 5.431 -2.525 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -6.816 5.163 -1.622 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -6.551 7.544 -2.215 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -6.563 7.320 -0.477 1.00 0.00 H new ATOM 0 HE ARG A 47 -3.865 7.310 -1.617 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -6.521 9.286 -0.389 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -5.470 10.643 0.032 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -2.523 9.056 -1.074 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -3.215 10.513 -0.354 1.00 0.00 H new ATOM 738 N TYR A 48 -5.178 2.578 -2.829 1.00 0.00 N ATOM 739 CA TYR A 48 -4.845 2.240 -4.208 1.00 0.00 C ATOM 740 C TYR A 48 -6.050 2.439 -5.123 1.00 0.00 C ATOM 741 O TYR A 48 -7.170 2.050 -4.789 1.00 0.00 O ATOM 742 CB TYR A 48 -4.355 0.794 -4.297 1.00 0.00 C ATOM 743 CG TYR A 48 -4.431 0.213 -5.691 1.00 0.00 C ATOM 744 CD1 TYR A 48 -3.616 0.693 -6.709 1.00 0.00 C ATOM 745 CD2 TYR A 48 -5.317 -0.814 -5.990 1.00 0.00 C ATOM 746 CE1 TYR A 48 -3.681 0.167 -7.985 1.00 0.00 C ATOM 747 CE2 TYR A 48 -5.388 -1.348 -7.263 1.00 0.00 C ATOM 748 CZ TYR A 48 -4.570 -0.853 -8.257 1.00 0.00 C ATOM 749 OH TYR A 48 -4.636 -1.381 -9.526 1.00 0.00 O ATOM 0 H TYR A 48 -6.112 2.289 -2.537 1.00 0.00 H new ATOM 0 HA TYR A 48 -4.048 2.907 -4.537 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -3.323 0.747 -3.949 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -4.948 0.176 -3.622 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -2.919 1.491 -6.499 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -5.961 -1.202 -5.215 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -3.040 0.552 -8.765 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -6.080 -2.149 -7.478 1.00 0.00 H new ATOM 0 HH TYR A 48 -5.311 -2.091 -9.550 1.00 0.00 H new ATOM 759 N LEU A 49 -5.812 3.046 -6.281 1.00 0.00 N ATOM 760 CA LEU A 49 -6.876 3.297 -7.246 1.00 0.00 C ATOM 761 C LEU A 49 -7.957 4.190 -6.647 1.00 0.00 C ATOM 762 O LEU A 49 -9.133 4.068 -6.982 1.00 0.00 O ATOM 763 CB LEU A 49 -7.490 1.976 -7.712 1.00 0.00 C ATOM 764 CG LEU A 49 -6.844 1.330 -8.939 1.00 0.00 C ATOM 765 CD1 LEU A 49 -7.450 -0.039 -9.203 1.00 0.00 C ATOM 766 CD2 LEU A 49 -7.000 2.228 -10.158 1.00 0.00 C ATOM 0 H LEU A 49 -4.891 3.373 -6.574 1.00 0.00 H new ATOM 0 HA LEU A 49 -6.441 3.811 -8.103 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -7.444 1.266 -6.886 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -8.545 2.145 -7.929 1.00 0.00 H new ATOM 0 HG LEU A 49 -5.780 1.201 -8.740 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -6.978 -0.483 -10.079 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -7.287 -0.682 -8.338 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -8.520 0.065 -9.381 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -6.535 1.753 -11.022 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -8.059 2.388 -10.359 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -6.518 3.187 -9.968 1.00 0.00 H new ATOM 778 N GLY A 50 -7.547 5.090 -5.758 1.00 0.00 N ATOM 779 CA GLY A 50 -8.492 5.993 -5.127 1.00 0.00 C ATOM 780 C GLY A 50 -9.379 5.290 -4.117 1.00 0.00 C ATOM 781 O GLY A 50 -10.458 5.779 -3.782 1.00 0.00 O ATOM 0 H GLY A 50 -6.578 5.210 -5.464 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -7.947 6.796 -4.631 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -9.114 6.456 -5.893 1.00 0.00 H new ATOM 785 N LYS A 51 -8.924 4.141 -3.632 1.00 0.00 N ATOM 786 CA LYS A 51 -9.683 3.369 -2.655 1.00 0.00 C ATOM 787 C LYS A 51 -8.811 2.994 -1.461 1.00 0.00 C ATOM 788 O LYS A 51 -7.744 2.403 -1.622 1.00 0.00 O ATOM 789 CB LYS A 51 -10.248 2.103 -3.304 1.00 0.00 C ATOM 790 CG LYS A 51 -11.622 2.297 -3.923 1.00 0.00 C ATOM 791 CD LYS A 51 -11.523 2.857 -5.332 1.00 0.00 C ATOM 792 CE LYS A 51 -11.339 1.752 -6.360 1.00 0.00 C ATOM 793 NZ LYS A 51 -12.582 0.952 -6.543 1.00 0.00 N ATOM 0 H LYS A 51 -8.033 3.723 -3.899 1.00 0.00 H new ATOM 0 HA LYS A 51 -10.507 3.988 -2.300 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -9.557 1.760 -4.074 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -10.305 1.315 -2.553 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -12.150 1.344 -3.945 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -12.210 2.973 -3.302 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -12.425 3.424 -5.563 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -10.686 3.552 -5.390 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -11.045 2.189 -7.314 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -10.527 1.095 -6.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -12.527 0.425 -7.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -12.684 0.283 -5.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -13.404 1.588 -6.565 1.00 0.00 H new ATOM 807 N GLU A 52 -9.273 3.343 -0.264 1.00 0.00 N ATOM 808 CA GLU A 52 -8.535 3.042 0.956 1.00 0.00 C ATOM 809 C GLU A 52 -9.069 1.776 1.618 1.00 0.00 C ATOM 810 O GLU A 52 -10.265 1.656 1.878 1.00 0.00 O ATOM 811 CB GLU A 52 -8.621 4.218 1.933 1.00 0.00 C ATOM 812 CG GLU A 52 -8.275 5.557 1.307 1.00 0.00 C ATOM 813 CD GLU A 52 -9.484 6.254 0.714 1.00 0.00 C ATOM 814 OE1 GLU A 52 -10.364 6.679 1.492 1.00 0.00 O ATOM 815 OE2 GLU A 52 -9.552 6.373 -0.527 1.00 0.00 O ATOM 0 H GLU A 52 -10.154 3.834 -0.114 1.00 0.00 H new ATOM 0 HA GLU A 52 -7.492 2.877 0.687 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -9.631 4.267 2.341 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -7.948 4.033 2.770 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -7.823 6.201 2.062 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -7.528 5.407 0.527 1.00 0.00 H new ATOM 822 N GLY A 53 -8.172 0.832 1.889 1.00 0.00 N ATOM 823 CA GLY A 53 -8.571 -0.414 2.517 1.00 0.00 C ATOM 824 C GLY A 53 -7.435 -1.071 3.274 1.00 0.00 C ATOM 825 O GLY A 53 -6.303 -0.588 3.250 1.00 0.00 O ATOM 0 H GLY A 53 -7.176 0.908 1.685 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -9.398 -0.224 3.202 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -8.940 -1.100 1.754 1.00 0.00 H new ATOM 829 N TRP A 54 -7.737 -2.175 3.948 1.00 0.00 N ATOM 830 CA TRP A 54 -6.732 -2.898 4.718 1.00 0.00 C ATOM 831 C TRP A 54 -5.964 -3.872 3.831 1.00 0.00 C ATOM 832 O TRP A 54 -6.558 -4.722 3.167 1.00 0.00 O ATOM 833 CB TRP A 54 -7.391 -3.653 5.874 1.00 0.00 C ATOM 834 CG TRP A 54 -7.716 -2.778 7.046 1.00 0.00 C ATOM 835 CD1 TRP A 54 -8.960 -2.475 7.521 1.00 0.00 C ATOM 836 CD2 TRP A 54 -6.785 -2.091 7.888 1.00 0.00 C ATOM 837 NE1 TRP A 54 -8.857 -1.641 8.608 1.00 0.00 N ATOM 838 CE2 TRP A 54 -7.533 -1.392 8.855 1.00 0.00 C ATOM 839 CE3 TRP A 54 -5.390 -2.002 7.922 1.00 0.00 C ATOM 840 CZ2 TRP A 54 -6.933 -0.614 9.841 1.00 0.00 C ATOM 841 CZ3 TRP A 54 -4.796 -1.229 8.900 1.00 0.00 C ATOM 842 CH2 TRP A 54 -5.566 -0.544 9.850 1.00 0.00 C ATOM 0 H TRP A 54 -8.669 -2.589 3.977 1.00 0.00 H new ATOM 0 HA TRP A 54 -6.028 -2.171 5.123 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -8.307 -4.124 5.516 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -6.728 -4.454 6.201 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -9.888 -2.837 7.104 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -9.640 -1.268 9.144 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -4.788 -2.528 7.196 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -7.525 -0.084 10.573 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -3.719 -1.151 8.933 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -5.071 0.051 10.604 1.00 0.00 H new ATOM 853 N ALA A 55 -4.641 -3.745 3.825 1.00 0.00 N ATOM 854 CA ALA A 55 -3.793 -4.615 3.021 1.00 0.00 C ATOM 855 C ALA A 55 -2.651 -5.189 3.852 1.00 0.00 C ATOM 856 O ALA A 55 -2.135 -4.548 4.769 1.00 0.00 O ATOM 857 CB ALA A 55 -3.245 -3.857 1.820 1.00 0.00 C ATOM 0 H ALA A 55 -4.133 -3.047 4.369 1.00 0.00 H new ATOM 0 HA ALA A 55 -4.402 -5.446 2.665 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -2.613 -4.520 1.229 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -4.072 -3.501 1.206 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -2.656 -3.007 2.164 1.00 0.00 H new ATOM 863 N PRO A 56 -2.245 -6.425 3.529 1.00 0.00 N ATOM 864 CA PRO A 56 -1.159 -7.112 4.234 1.00 0.00 C ATOM 865 C PRO A 56 0.202 -6.486 3.952 1.00 0.00 C ATOM 866 O PRO A 56 0.615 -6.366 2.800 1.00 0.00 O ATOM 867 CB PRO A 56 -1.218 -8.536 3.675 1.00 0.00 C ATOM 868 CG PRO A 56 -1.843 -8.391 2.330 1.00 0.00 C ATOM 869 CD PRO A 56 -2.815 -7.248 2.447 1.00 0.00 C ATOM 0 HA PRO A 56 -1.278 -7.059 5.316 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -0.223 -8.975 3.604 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -1.809 -9.189 4.317 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -1.090 -8.186 1.569 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -2.353 -9.308 2.035 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -2.892 -6.689 1.515 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -3.818 -7.597 2.693 1.00 0.00 H new ATOM 877 N ALA A 57 0.896 -6.090 5.014 1.00 0.00 N ATOM 878 CA ALA A 57 2.213 -5.478 4.882 1.00 0.00 C ATOM 879 C ALA A 57 3.171 -6.396 4.131 1.00 0.00 C ATOM 880 O ALA A 57 4.144 -5.938 3.532 1.00 0.00 O ATOM 881 CB ALA A 57 2.775 -5.133 6.253 1.00 0.00 C ATOM 0 H ALA A 57 0.568 -6.182 5.976 1.00 0.00 H new ATOM 0 HA ALA A 57 2.104 -4.559 4.305 1.00 0.00 H new ATOM 0 HB1 ALA A 57 3.758 -4.677 6.139 1.00 0.00 H new ATOM 0 HB2 ALA A 57 2.107 -4.433 6.755 1.00 0.00 H new ATOM 0 HB3 ALA A 57 2.863 -6.041 6.849 1.00 0.00 H new ATOM 887 N SER A 58 2.892 -7.695 4.169 1.00 0.00 N ATOM 888 CA SER A 58 3.732 -8.678 3.495 1.00 0.00 C ATOM 889 C SER A 58 3.757 -8.432 1.990 1.00 0.00 C ATOM 890 O SER A 58 4.784 -8.615 1.337 1.00 0.00 O ATOM 891 CB SER A 58 3.229 -10.094 3.784 1.00 0.00 C ATOM 892 OG SER A 58 3.834 -10.623 4.950 1.00 0.00 O ATOM 0 H SER A 58 2.090 -8.091 4.660 1.00 0.00 H new ATOM 0 HA SER A 58 4.747 -8.575 3.879 1.00 0.00 H new ATOM 0 HB2 SER A 58 2.146 -10.080 3.907 1.00 0.00 H new ATOM 0 HB3 SER A 58 3.445 -10.740 2.933 1.00 0.00 H new ATOM 0 HG SER A 58 3.494 -11.528 5.113 1.00 0.00 H new ATOM 898 N TYR A 59 2.618 -8.017 1.447 1.00 0.00 N ATOM 899 CA TYR A 59 2.507 -7.747 0.018 1.00 0.00 C ATOM 900 C TYR A 59 2.859 -6.295 -0.292 1.00 0.00 C ATOM 901 O TYR A 59 2.395 -5.729 -1.283 1.00 0.00 O ATOM 902 CB TYR A 59 1.091 -8.057 -0.472 1.00 0.00 C ATOM 903 CG TYR A 59 0.762 -9.532 -0.483 1.00 0.00 C ATOM 904 CD1 TYR A 59 0.399 -10.191 0.686 1.00 0.00 C ATOM 905 CD2 TYR A 59 0.817 -10.269 -1.659 1.00 0.00 C ATOM 906 CE1 TYR A 59 0.098 -11.540 0.681 1.00 0.00 C ATOM 907 CE2 TYR A 59 0.517 -11.617 -1.674 1.00 0.00 C ATOM 908 CZ TYR A 59 0.159 -12.248 -0.501 1.00 0.00 C ATOM 909 OH TYR A 59 -0.140 -13.591 -0.511 1.00 0.00 O ATOM 0 H TYR A 59 1.759 -7.860 1.974 1.00 0.00 H new ATOM 0 HA TYR A 59 3.214 -8.392 -0.504 1.00 0.00 H new ATOM 0 HB2 TYR A 59 0.374 -7.538 0.164 1.00 0.00 H new ATOM 0 HB3 TYR A 59 0.969 -7.659 -1.479 1.00 0.00 H new ATOM 0 HD1 TYR A 59 0.351 -9.640 1.613 1.00 0.00 H new ATOM 0 HD2 TYR A 59 1.100 -9.779 -2.579 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -0.183 -12.037 1.598 1.00 0.00 H new ATOM 0 HE2 TYR A 59 0.562 -12.174 -2.598 1.00 0.00 H new ATOM 0 HH TYR A 59 -0.050 -13.939 -1.423 1.00 0.00 H new ATOM 919 N LEU A 60 3.680 -5.698 0.564 1.00 0.00 N ATOM 920 CA LEU A 60 4.096 -4.312 0.382 1.00 0.00 C ATOM 921 C LEU A 60 5.525 -4.102 0.876 1.00 0.00 C ATOM 922 O LEU A 60 5.917 -4.629 1.917 1.00 0.00 O ATOM 923 CB LEU A 60 3.146 -3.372 1.126 1.00 0.00 C ATOM 924 CG LEU A 60 1.652 -3.651 0.951 1.00 0.00 C ATOM 925 CD1 LEU A 60 0.851 -2.985 2.058 1.00 0.00 C ATOM 926 CD2 LEU A 60 1.178 -3.174 -0.414 1.00 0.00 C ATOM 0 H LEU A 60 4.071 -6.151 1.390 1.00 0.00 H new ATOM 0 HA LEU A 60 4.062 -4.086 -0.684 1.00 0.00 H new ATOM 0 HB2 LEU A 60 3.381 -3.417 2.189 1.00 0.00 H new ATOM 0 HB3 LEU A 60 3.346 -2.352 0.798 1.00 0.00 H new ATOM 0 HG LEU A 60 1.493 -4.727 1.014 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -0.209 -3.195 1.917 1.00 0.00 H new ATOM 0 HD12 LEU A 60 1.172 -3.374 3.024 1.00 0.00 H new ATOM 0 HD13 LEU A 60 1.015 -1.908 2.028 1.00 0.00 H new ATOM 0 HD21 LEU A 60 0.113 -3.380 -0.522 1.00 0.00 H new ATOM 0 HD22 LEU A 60 1.351 -2.102 -0.505 1.00 0.00 H new ATOM 0 HD23 LEU A 60 1.730 -3.698 -1.194 1.00 0.00 H new ATOM 938 N LYS A 61 6.298 -3.329 0.121 1.00 0.00 N ATOM 939 CA LYS A 61 7.682 -3.047 0.481 1.00 0.00 C ATOM 940 C LYS A 61 8.035 -1.592 0.189 1.00 0.00 C ATOM 941 O LYS A 61 7.659 -1.048 -0.850 1.00 0.00 O ATOM 942 CB LYS A 61 8.629 -3.975 -0.281 1.00 0.00 C ATOM 943 CG LYS A 61 8.799 -3.604 -1.744 1.00 0.00 C ATOM 944 CD LYS A 61 9.744 -4.558 -2.456 1.00 0.00 C ATOM 945 CE LYS A 61 11.198 -4.234 -2.149 1.00 0.00 C ATOM 946 NZ LYS A 61 12.126 -4.882 -3.117 1.00 0.00 N ATOM 0 H LYS A 61 5.989 -2.886 -0.745 1.00 0.00 H new ATOM 0 HA LYS A 61 7.795 -3.222 1.551 1.00 0.00 H new ATOM 0 HB2 LYS A 61 9.605 -3.962 0.204 1.00 0.00 H new ATOM 0 HB3 LYS A 61 8.254 -4.996 -0.215 1.00 0.00 H new ATOM 0 HG2 LYS A 61 7.828 -3.616 -2.238 1.00 0.00 H new ATOM 0 HG3 LYS A 61 9.183 -2.587 -1.820 1.00 0.00 H new ATOM 0 HD2 LYS A 61 9.526 -5.582 -2.152 1.00 0.00 H new ATOM 0 HD3 LYS A 61 9.577 -4.502 -3.532 1.00 0.00 H new ATOM 0 HE2 LYS A 61 11.343 -3.154 -2.174 1.00 0.00 H new ATOM 0 HE3 LYS A 61 11.438 -4.564 -1.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 13.107 -4.637 -2.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 12.006 -5.914 -3.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 11.914 -4.548 -4.079 1.00 0.00 H new ATOM 960 N LYS A 62 8.761 -0.967 1.110 1.00 0.00 N ATOM 961 CA LYS A 62 9.166 0.425 0.950 1.00 0.00 C ATOM 962 C LYS A 62 9.892 0.630 -0.376 1.00 0.00 C ATOM 963 O LYS A 62 11.007 0.149 -0.566 1.00 0.00 O ATOM 964 CB LYS A 62 10.071 0.850 2.109 1.00 0.00 C ATOM 965 CG LYS A 62 10.006 2.336 2.419 1.00 0.00 C ATOM 966 CD LYS A 62 10.885 3.140 1.475 1.00 0.00 C ATOM 967 CE LYS A 62 10.619 4.632 1.603 1.00 0.00 C ATOM 968 NZ LYS A 62 11.468 5.259 2.654 1.00 0.00 N ATOM 0 H LYS A 62 9.081 -1.402 1.975 1.00 0.00 H new ATOM 0 HA LYS A 62 8.268 1.042 0.953 1.00 0.00 H new ATOM 0 HB2 LYS A 62 9.792 0.289 3.001 1.00 0.00 H new ATOM 0 HB3 LYS A 62 11.101 0.582 1.872 1.00 0.00 H new ATOM 0 HG2 LYS A 62 8.975 2.681 2.340 1.00 0.00 H new ATOM 0 HG3 LYS A 62 10.322 2.508 3.448 1.00 0.00 H new ATOM 0 HD2 LYS A 62 11.934 2.936 1.690 1.00 0.00 H new ATOM 0 HD3 LYS A 62 10.703 2.823 0.448 1.00 0.00 H new ATOM 0 HE2 LYS A 62 10.808 5.118 0.646 1.00 0.00 H new ATOM 0 HE3 LYS A 62 9.568 4.794 1.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 10.902 5.943 3.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 11.827 4.523 3.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 12.269 5.749 2.207 1.00 0.00 H new ATOM 982 N ALA A 63 9.249 1.351 -1.290 1.00 0.00 N ATOM 983 CA ALA A 63 9.834 1.623 -2.597 1.00 0.00 C ATOM 984 C ALA A 63 10.725 2.860 -2.552 1.00 0.00 C ATOM 985 O ALA A 63 10.429 3.827 -1.851 1.00 0.00 O ATOM 986 CB ALA A 63 8.740 1.796 -3.640 1.00 0.00 C ATOM 0 H ALA A 63 8.324 1.757 -1.149 1.00 0.00 H new ATOM 0 HA ALA A 63 10.453 0.770 -2.875 1.00 0.00 H new ATOM 0 HB1 ALA A 63 9.192 1.999 -4.611 1.00 0.00 H new ATOM 0 HB2 ALA A 63 8.146 0.884 -3.699 1.00 0.00 H new ATOM 0 HB3 ALA A 63 8.097 2.630 -3.358 1.00 0.00 H new ATOM 992 N LYS A 64 11.820 2.823 -3.305 1.00 0.00 N ATOM 993 CA LYS A 64 12.755 3.941 -3.352 1.00 0.00 C ATOM 994 C LYS A 64 12.303 4.985 -4.368 1.00 0.00 C ATOM 995 O LYS A 64 11.381 4.747 -5.149 1.00 0.00 O ATOM 996 CB LYS A 64 14.159 3.443 -3.707 1.00 0.00 C ATOM 997 CG LYS A 64 14.766 2.536 -2.651 1.00 0.00 C ATOM 998 CD LYS A 64 15.445 3.336 -1.552 1.00 0.00 C ATOM 999 CE LYS A 64 16.868 3.711 -1.934 1.00 0.00 C ATOM 1000 NZ LYS A 64 17.291 4.994 -1.306 1.00 0.00 N ATOM 0 H LYS A 64 12.081 2.030 -3.891 1.00 0.00 H new ATOM 0 HA LYS A 64 12.779 4.405 -2.366 1.00 0.00 H new ATOM 0 HB2 LYS A 64 14.116 2.906 -4.655 1.00 0.00 H new ATOM 0 HB3 LYS A 64 14.813 4.302 -3.856 1.00 0.00 H new ATOM 0 HG2 LYS A 64 13.987 1.909 -2.217 1.00 0.00 H new ATOM 0 HG3 LYS A 64 15.491 1.868 -3.117 1.00 0.00 H new ATOM 0 HD2 LYS A 64 14.871 4.240 -1.351 1.00 0.00 H new ATOM 0 HD3 LYS A 64 15.456 2.754 -0.630 1.00 0.00 H new ATOM 0 HE2 LYS A 64 17.548 2.916 -1.628 1.00 0.00 H new ATOM 0 HE3 LYS A 64 16.943 3.795 -3.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 18.267 5.215 -1.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 16.658 5.758 -1.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 17.244 4.906 -0.271 1.00 0.00 H new ATOM 1014 N ASP A 65 12.957 6.141 -4.352 1.00 0.00 N ATOM 1015 CA ASP A 65 12.625 7.221 -5.274 1.00 0.00 C ATOM 1016 C ASP A 65 13.849 8.084 -5.565 1.00 0.00 C ATOM 1017 O ASP A 65 14.818 8.081 -4.806 1.00 0.00 O ATOM 1018 CB ASP A 65 11.503 8.085 -4.696 1.00 0.00 C ATOM 1019 CG ASP A 65 10.678 8.760 -5.775 1.00 0.00 C ATOM 1020 OD1 ASP A 65 11.196 8.930 -6.898 1.00 0.00 O ATOM 1021 OD2 ASP A 65 9.515 9.117 -5.495 1.00 0.00 O ATOM 0 H ASP A 65 13.721 6.354 -3.710 1.00 0.00 H new ATOM 0 HA ASP A 65 12.287 6.776 -6.210 1.00 0.00 H new ATOM 0 HB2 ASP A 65 10.852 7.465 -4.079 1.00 0.00 H new ATOM 0 HB3 ASP A 65 11.933 8.844 -4.043 1.00 0.00 H new ATOM 1026 N SER A 66 13.798 8.820 -6.670 1.00 0.00 N ATOM 1027 CA SER A 66 14.904 9.684 -7.065 1.00 0.00 C ATOM 1028 C SER A 66 15.234 10.684 -5.960 1.00 0.00 C ATOM 1029 O SER A 66 14.339 11.265 -5.348 1.00 0.00 O ATOM 1030 CB SER A 66 14.563 10.428 -8.358 1.00 0.00 C ATOM 1031 OG SER A 66 15.735 10.758 -9.081 1.00 0.00 O ATOM 0 H SER A 66 13.002 8.835 -7.308 1.00 0.00 H new ATOM 0 HA SER A 66 15.779 9.057 -7.236 1.00 0.00 H new ATOM 0 HB2 SER A 66 13.913 9.809 -8.976 1.00 0.00 H new ATOM 0 HB3 SER A 66 14.009 11.337 -8.123 1.00 0.00 H new ATOM 0 HG SER A 66 15.490 11.231 -9.903 1.00 0.00 H new ATOM 1037 N GLY A 67 16.525 10.879 -5.713 1.00 0.00 N ATOM 1038 CA GLY A 67 16.951 11.809 -4.683 1.00 0.00 C ATOM 1039 C GLY A 67 18.106 11.274 -3.861 1.00 0.00 C ATOM 1040 O GLY A 67 18.219 10.072 -3.617 1.00 0.00 O ATOM 0 H GLY A 67 17.284 10.410 -6.207 1.00 0.00 H new ATOM 0 HA2 GLY A 67 17.245 12.751 -5.147 1.00 0.00 H new ATOM 0 HA3 GLY A 67 16.110 12.027 -4.024 1.00 0.00 H new ATOM 1044 N PRO A 68 18.991 12.178 -3.418 1.00 0.00 N ATOM 1045 CA PRO A 68 20.160 11.814 -2.612 1.00 0.00 C ATOM 1046 C PRO A 68 19.777 11.358 -1.208 1.00 0.00 C ATOM 1047 O PRO A 68 20.376 10.432 -0.660 1.00 0.00 O ATOM 1048 CB PRO A 68 20.968 13.112 -2.550 1.00 0.00 C ATOM 1049 CG PRO A 68 19.962 14.194 -2.745 1.00 0.00 C ATOM 1050 CD PRO A 68 18.920 13.627 -3.670 1.00 0.00 C ATOM 0 HA PRO A 68 20.707 10.976 -3.044 1.00 0.00 H new ATOM 0 HB2 PRO A 68 21.479 13.215 -1.593 1.00 0.00 H new ATOM 0 HB3 PRO A 68 21.734 13.139 -3.325 1.00 0.00 H new ATOM 0 HG2 PRO A 68 19.520 14.492 -1.794 1.00 0.00 H new ATOM 0 HG3 PRO A 68 20.423 15.083 -3.175 1.00 0.00 H new ATOM 0 HD2 PRO A 68 17.929 14.025 -3.451 1.00 0.00 H new ATOM 0 HD3 PRO A 68 19.136 13.865 -4.712 1.00 0.00 H new ATOM 1058 N SER A 69 18.775 12.013 -0.631 1.00 0.00 N ATOM 1059 CA SER A 69 18.314 11.676 0.711 1.00 0.00 C ATOM 1060 C SER A 69 18.421 10.176 0.962 1.00 0.00 C ATOM 1061 O SER A 69 17.764 9.375 0.296 1.00 0.00 O ATOM 1062 CB SER A 69 16.867 12.136 0.907 1.00 0.00 C ATOM 1063 OG SER A 69 16.813 13.499 1.286 1.00 0.00 O ATOM 0 H SER A 69 18.267 12.780 -1.071 1.00 0.00 H new ATOM 0 HA SER A 69 18.952 12.193 1.428 1.00 0.00 H new ATOM 0 HB2 SER A 69 16.307 11.990 -0.017 1.00 0.00 H new ATOM 0 HB3 SER A 69 16.388 11.524 1.671 1.00 0.00 H new ATOM 0 HG SER A 69 15.878 13.769 1.403 1.00 0.00 H new ATOM 1069 N SER A 70 19.254 9.802 1.927 1.00 0.00 N ATOM 1070 CA SER A 70 19.451 8.396 2.265 1.00 0.00 C ATOM 1071 C SER A 70 19.126 8.139 3.734 1.00 0.00 C ATOM 1072 O SER A 70 19.987 8.270 4.603 1.00 0.00 O ATOM 1073 CB SER A 70 20.892 7.976 1.968 1.00 0.00 C ATOM 1074 OG SER A 70 21.048 6.572 2.087 1.00 0.00 O ATOM 0 H SER A 70 19.804 10.452 2.489 1.00 0.00 H new ATOM 0 HA SER A 70 18.773 7.802 1.652 1.00 0.00 H new ATOM 0 HB2 SER A 70 21.166 8.292 0.961 1.00 0.00 H new ATOM 0 HB3 SER A 70 21.570 8.480 2.656 1.00 0.00 H new ATOM 0 HG SER A 70 21.977 6.328 1.891 1.00 0.00 H new ATOM 1080 N GLY A 71 17.877 7.773 4.002 1.00 0.00 N ATOM 1081 CA GLY A 71 17.459 7.503 5.365 1.00 0.00 C ATOM 1082 C GLY A 71 17.056 8.762 6.108 1.00 0.00 C ATOM 1083 O GLY A 71 17.854 9.334 6.851 1.00 0.00 O ATOM 0 H GLY A 71 17.147 7.659 3.299 1.00 0.00 H new ATOM 0 HA2 GLY A 71 16.620 6.807 5.353 1.00 0.00 H new ATOM 0 HA3 GLY A 71 18.272 7.013 5.901 1.00 0.00 H new TER 1087 GLY A 71