USER MOD reduce.3.24.130724 H: found=0, std=0, add=688, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 684 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 56 HIS : no HD1:sc= -1.74 X(o=-1.9,f=-1.7) USER MOD Set 1.2: A 60 LYS NZ :NH3+ -161:sc= -0.172 (180deg=0) USER MOD Set 2.1: A 11 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 12 HIS : no HD1:sc= -0.0644 X(o=-0.064,f=-0.0059) USER MOD Set 3.1: A 8 TYR OH : rot 165:sc= 0.141 USER MOD Set 3.2: A 17 SER OG : rot -130:sc= 1.95 USER MOD Single : A 1 GLY N :NH3+ -120:sc= 0.0623 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 150:sc= -0.0459 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 TYR OH : rot -25:sc= 1.02 USER MOD Single : A 26 ASN : amide:sc= -0.0957 K(o=-0.096,f=-1.3) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 150:sc= -0.443 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= -0.606 K(o=-0.61,f=-3.8!) USER MOD Single : A 41 SER OG : rot 170:sc= -0.394 USER MOD Single : A 42 SER OG : rot 26:sc= -0.26 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= 0.0211 X(o=0.021,f=0) USER MOD Single : A 57 ASN : amide:sc= -0.0116 K(o=-0.012,f=-4.8!) USER MOD Single : A 58 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 TYR OH : rot -150:sc= 1.29 USER MOD Single : A 67 THR OG1 : rot -56:sc= 0.964 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 77 ASN : amide:sc= -0.0289 X(o=-0.029,f=-0.029) USER MOD Single : A 80 SER OG : rot 91:sc= 0.612 USER MOD Single : A 81 SER OG : rot 53:sc= 0.749 USER MOD Single : A 85 SER OG : rot 180:sc= -0.293 USER MOD Single : A 86 LYS NZ :NH3+ -130:sc= -0.297 (180deg=-2.23!) USER MOD Single : A 87 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 89 THR OG1 : rot -152:sc= -0.599 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 ASN : amide:sc= -0.0137 X(o=-0.014,f=-0.26) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 0.796 -1.049 0.307 1.00 73.51 N ATOM 2 CA GLY A 1 1.973 -0.570 -0.393 1.00 52.34 C ATOM 3 C GLY A 1 3.054 -0.088 0.553 1.00 2.31 C ATOM 4 O GLY A 1 2.783 0.207 1.717 1.00 72.15 O ATOM 0 H1 GLY A 1 0.631 -2.047 0.066 1.00 73.51 H new ATOM 0 H2 GLY A 1 0.942 -0.960 1.333 1.00 73.51 H new ATOM 0 H3 GLY A 1 -0.030 -0.484 0.025 1.00 73.51 H new ATOM 0 HA2 GLY A 1 2.371 -1.370 -1.017 1.00 52.34 H new ATOM 0 HA3 GLY A 1 1.689 0.244 -1.060 1.00 52.34 H new ATOM 8 N GLU A 2 4.284 -0.009 0.054 1.00 53.24 N ATOM 9 CA GLU A 2 5.410 0.438 0.865 1.00 52.42 C ATOM 10 C GLU A 2 5.358 1.948 1.082 1.00 21.14 C ATOM 11 O GLU A 2 5.422 2.426 2.215 1.00 12.31 O ATOM 12 CB GLU A 2 6.732 0.053 0.198 1.00 1.21 C ATOM 13 CG GLU A 2 7.394 -1.166 0.818 1.00 10.22 C ATOM 14 CD GLU A 2 6.614 -2.443 0.570 1.00 45.51 C ATOM 15 OE1 GLU A 2 5.929 -2.527 -0.471 1.00 22.15 O ATOM 16 OE2 GLU A 2 6.690 -3.357 1.417 1.00 64.43 O ATOM 0 H GLU A 2 4.525 -0.249 -0.908 1.00 53.24 H new ATOM 0 HA GLU A 2 5.344 -0.054 1.835 1.00 52.42 H new ATOM 0 HB2 GLU A 2 6.553 -0.140 -0.860 1.00 1.21 H new ATOM 0 HB3 GLU A 2 7.418 0.898 0.256 1.00 1.21 H new ATOM 0 HG2 GLU A 2 8.400 -1.274 0.412 1.00 10.22 H new ATOM 0 HG3 GLU A 2 7.499 -1.011 1.892 1.00 10.22 H new ATOM 23 N LYS A 3 5.243 2.694 -0.011 1.00 74.32 N ATOM 24 CA LYS A 3 5.181 4.149 0.057 1.00 24.24 C ATOM 25 C LYS A 3 6.413 4.713 0.760 1.00 74.34 C ATOM 26 O LYS A 3 6.299 5.504 1.696 1.00 34.25 O ATOM 27 CB LYS A 3 3.914 4.593 0.792 1.00 23.50 C ATOM 28 CG LYS A 3 2.650 3.919 0.286 1.00 44.44 C ATOM 29 CD LYS A 3 2.458 4.143 -1.205 1.00 3.30 C ATOM 30 CE LYS A 3 1.016 4.499 -1.534 1.00 24.21 C ATOM 31 NZ LYS A 3 0.452 3.610 -2.587 1.00 23.31 N ATOM 0 H LYS A 3 5.191 2.314 -0.956 1.00 74.32 H new ATOM 0 HA LYS A 3 5.156 4.535 -0.962 1.00 24.24 H new ATOM 0 HB2 LYS A 3 4.028 4.382 1.855 1.00 23.50 H new ATOM 0 HB3 LYS A 3 3.805 5.673 0.692 1.00 23.50 H new ATOM 0 HG2 LYS A 3 2.700 2.850 0.491 1.00 44.44 H new ATOM 0 HG3 LYS A 3 1.787 4.308 0.827 1.00 44.44 H new ATOM 0 HD2 LYS A 3 3.117 4.943 -1.542 1.00 3.30 H new ATOM 0 HD3 LYS A 3 2.745 3.243 -1.749 1.00 3.30 H new ATOM 0 HE2 LYS A 3 0.409 4.424 -0.632 1.00 24.21 H new ATOM 0 HE3 LYS A 3 0.965 5.535 -1.868 1.00 24.21 H new ATOM 0 HZ1 LYS A 3 -0.532 3.885 -2.783 1.00 23.31 H new ATOM 0 HZ2 LYS A 3 1.016 3.700 -3.456 1.00 23.31 H new ATOM 0 HZ3 LYS A 3 0.477 2.624 -2.259 1.00 23.31 H new ATOM 45 N THR A 4 7.591 4.302 0.300 1.00 34.22 N ATOM 46 CA THR A 4 8.843 4.766 0.884 1.00 73.02 C ATOM 47 C THR A 4 10.011 4.539 -0.069 1.00 52.21 C ATOM 48 O THR A 4 10.002 3.601 -0.866 1.00 51.01 O ATOM 49 CB THR A 4 9.138 4.055 2.218 1.00 1.51 C ATOM 50 OG1 THR A 4 10.258 4.671 2.864 1.00 40.43 O ATOM 51 CG2 THR A 4 9.425 2.579 1.993 1.00 62.31 C ATOM 0 H THR A 4 7.704 3.649 -0.475 1.00 34.22 H new ATOM 0 HA THR A 4 8.730 5.834 1.068 1.00 73.02 H new ATOM 0 HB THR A 4 8.257 4.144 2.854 1.00 1.51 H new ATOM 0 HG1 THR A 4 10.163 4.585 3.836 1.00 40.43 H new ATOM 0 HG21 THR A 4 9.630 2.098 2.949 1.00 62.31 H new ATOM 0 HG22 THR A 4 8.560 2.107 1.528 1.00 62.31 H new ATOM 0 HG23 THR A 4 10.291 2.472 1.340 1.00 62.31 H new ATOM 59 N VAL A 5 11.017 5.404 0.019 1.00 55.04 N ATOM 60 CA VAL A 5 12.194 5.297 -0.835 1.00 33.30 C ATOM 61 C VAL A 5 13.292 4.486 -0.157 1.00 5.55 C ATOM 62 O VAL A 5 13.691 4.781 0.970 1.00 3.53 O ATOM 63 CB VAL A 5 12.748 6.686 -1.203 1.00 63.45 C ATOM 64 CG1 VAL A 5 12.981 7.517 0.049 1.00 40.23 C ATOM 65 CG2 VAL A 5 14.031 6.550 -2.009 1.00 63.24 C ATOM 0 H VAL A 5 11.040 6.186 0.673 1.00 55.04 H new ATOM 0 HA VAL A 5 11.880 4.787 -1.746 1.00 33.30 H new ATOM 0 HB VAL A 5 12.011 7.201 -1.819 1.00 63.45 H new ATOM 0 HG11 VAL A 5 13.372 8.495 -0.231 1.00 40.23 H new ATOM 0 HG12 VAL A 5 12.039 7.643 0.583 1.00 40.23 H new ATOM 0 HG13 VAL A 5 13.699 7.010 0.694 1.00 40.23 H new ATOM 0 HG21 VAL A 5 14.409 7.541 -2.261 1.00 63.24 H new ATOM 0 HG22 VAL A 5 14.776 6.016 -1.419 1.00 63.24 H new ATOM 0 HG23 VAL A 5 13.828 5.995 -2.925 1.00 63.24 H new ATOM 75 N LYS A 6 13.779 3.463 -0.850 1.00 43.12 N ATOM 76 CA LYS A 6 14.834 2.609 -0.317 1.00 2.52 C ATOM 77 C LYS A 6 16.194 3.009 -0.880 1.00 4.44 C ATOM 78 O LYS A 6 16.498 2.744 -2.043 1.00 45.24 O ATOM 79 CB LYS A 6 14.546 1.143 -0.645 1.00 21.45 C ATOM 80 CG LYS A 6 13.681 0.446 0.392 1.00 51.53 C ATOM 81 CD LYS A 6 13.548 -1.039 0.100 1.00 10.12 C ATOM 82 CE LYS A 6 12.409 -1.317 -0.868 1.00 72.04 C ATOM 83 NZ LYS A 6 12.250 -2.774 -1.134 1.00 51.43 N ATOM 0 H LYS A 6 13.460 3.205 -1.784 1.00 43.12 H new ATOM 0 HA LYS A 6 14.857 2.735 0.765 1.00 2.52 H new ATOM 0 HB2 LYS A 6 14.052 1.087 -1.615 1.00 21.45 H new ATOM 0 HB3 LYS A 6 15.491 0.608 -0.737 1.00 21.45 H new ATOM 0 HG2 LYS A 6 14.115 0.586 1.382 1.00 51.53 H new ATOM 0 HG3 LYS A 6 12.692 0.904 0.410 1.00 51.53 H new ATOM 0 HD2 LYS A 6 14.482 -1.414 -0.319 1.00 10.12 H new ATOM 0 HD3 LYS A 6 13.376 -1.580 1.031 1.00 10.12 H new ATOM 0 HE2 LYS A 6 11.480 -0.919 -0.460 1.00 72.04 H new ATOM 0 HE3 LYS A 6 12.594 -0.795 -1.807 1.00 72.04 H new ATOM 0 HZ1 LYS A 6 11.464 -2.922 -1.798 1.00 51.43 H new ATOM 0 HZ2 LYS A 6 13.127 -3.149 -1.547 1.00 51.43 H new ATOM 0 HZ3 LYS A 6 12.048 -3.270 -0.242 1.00 51.43 H new ATOM 97 N LEU A 7 17.010 3.647 -0.047 1.00 14.11 N ATOM 98 CA LEU A 7 18.339 4.082 -0.461 1.00 50.31 C ATOM 99 C LEU A 7 19.364 2.972 -0.256 1.00 21.33 C ATOM 100 O LEU A 7 19.406 2.339 0.800 1.00 50.02 O ATOM 101 CB LEU A 7 18.756 5.328 0.322 1.00 43.30 C ATOM 102 CG LEU A 7 17.822 6.534 0.213 1.00 33.32 C ATOM 103 CD1 LEU A 7 18.247 7.628 1.180 1.00 61.12 C ATOM 104 CD2 LEU A 7 17.795 7.061 -1.214 1.00 21.10 C ATOM 0 H LEU A 7 16.774 3.874 0.919 1.00 14.11 H new ATOM 0 HA LEU A 7 18.301 4.324 -1.523 1.00 50.31 H new ATOM 0 HB2 LEU A 7 18.846 5.058 1.374 1.00 43.30 H new ATOM 0 HB3 LEU A 7 19.747 5.630 -0.016 1.00 43.30 H new ATOM 0 HG LEU A 7 16.815 6.214 0.479 1.00 33.32 H new ATOM 0 HD11 LEU A 7 17.571 8.478 1.088 1.00 61.12 H new ATOM 0 HD12 LEU A 7 18.212 7.246 2.200 1.00 61.12 H new ATOM 0 HD13 LEU A 7 19.263 7.946 0.946 1.00 61.12 H new ATOM 0 HD21 LEU A 7 17.125 7.919 -1.272 1.00 21.10 H new ATOM 0 HD22 LEU A 7 18.800 7.364 -1.509 1.00 21.10 H new ATOM 0 HD23 LEU A 7 17.441 6.278 -1.884 1.00 21.10 H new ATOM 116 N TYR A 8 20.190 2.742 -1.270 1.00 23.50 N ATOM 117 CA TYR A 8 21.216 1.707 -1.201 1.00 13.20 C ATOM 118 C TYR A 8 22.611 2.314 -1.318 1.00 15.23 C ATOM 119 O TYR A 8 22.886 3.091 -2.232 1.00 22.25 O ATOM 120 CB TYR A 8 21.003 0.674 -2.308 1.00 73.24 C ATOM 121 CG TYR A 8 19.838 -0.256 -2.053 1.00 61.10 C ATOM 122 CD1 TYR A 8 18.530 0.163 -2.260 1.00 40.54 C ATOM 123 CD2 TYR A 8 20.046 -1.555 -1.605 1.00 43.03 C ATOM 124 CE1 TYR A 8 17.463 -0.683 -2.028 1.00 1.45 C ATOM 125 CE2 TYR A 8 18.985 -2.408 -1.371 1.00 65.52 C ATOM 126 CZ TYR A 8 17.696 -1.968 -1.583 1.00 51.53 C ATOM 127 OH TYR A 8 16.636 -2.814 -1.352 1.00 11.24 O ATOM 0 H TYR A 8 20.170 3.258 -2.150 1.00 23.50 H new ATOM 0 HA TYR A 8 21.134 1.214 -0.232 1.00 13.20 H new ATOM 0 HB2 TYR A 8 20.842 1.194 -3.252 1.00 73.24 H new ATOM 0 HB3 TYR A 8 21.911 0.082 -2.421 1.00 73.24 H new ATOM 0 HD1 TYR A 8 18.344 1.168 -2.609 1.00 40.54 H new ATOM 0 HD2 TYR A 8 21.054 -1.903 -1.437 1.00 43.03 H new ATOM 0 HE1 TYR A 8 16.452 -0.341 -2.194 1.00 1.45 H new ATOM 0 HE2 TYR A 8 19.165 -3.415 -1.024 1.00 65.52 H new ATOM 0 HH TYR A 8 16.963 -3.735 -1.278 1.00 11.24 H new ATOM 137 N GLU A 9 23.486 1.953 -0.385 1.00 21.21 N ATOM 138 CA GLU A 9 24.853 2.462 -0.383 1.00 34.33 C ATOM 139 C GLU A 9 25.643 1.903 -1.562 1.00 63.51 C ATOM 140 O GLU A 9 26.540 2.561 -2.090 1.00 32.30 O ATOM 141 CB GLU A 9 25.552 2.103 0.930 1.00 31.01 C ATOM 142 CG GLU A 9 25.947 0.639 1.029 1.00 15.14 C ATOM 143 CD GLU A 9 25.853 0.104 2.445 1.00 11.32 C ATOM 144 OE1 GLU A 9 24.770 0.229 3.056 1.00 44.35 O ATOM 145 OE2 GLU A 9 26.861 -0.438 2.943 1.00 62.51 O ATOM 0 H GLU A 9 23.273 1.311 0.378 1.00 21.21 H new ATOM 0 HA GLU A 9 24.810 3.547 -0.479 1.00 34.33 H new ATOM 0 HB2 GLU A 9 26.445 2.719 1.037 1.00 31.01 H new ATOM 0 HB3 GLU A 9 24.893 2.350 1.762 1.00 31.01 H new ATOM 0 HG2 GLU A 9 25.303 0.048 0.378 1.00 15.14 H new ATOM 0 HG3 GLU A 9 26.967 0.516 0.665 1.00 15.14 H new ATOM 152 N ASP A 10 25.305 0.684 -1.969 1.00 54.22 N ATOM 153 CA ASP A 10 25.982 0.036 -3.086 1.00 74.42 C ATOM 154 C ASP A 10 25.073 -0.027 -4.310 1.00 30.21 C ATOM 155 O ASP A 10 23.875 -0.290 -4.195 1.00 42.42 O ATOM 156 CB ASP A 10 26.425 -1.374 -2.692 1.00 64.11 C ATOM 157 CG ASP A 10 27.808 -1.393 -2.071 1.00 21.23 C ATOM 158 OD1 ASP A 10 28.014 -0.691 -1.058 1.00 72.03 O ATOM 159 OD2 ASP A 10 28.684 -2.111 -2.596 1.00 43.00 O ATOM 0 H ASP A 10 24.566 0.125 -1.542 1.00 54.22 H new ATOM 0 HA ASP A 10 26.861 0.628 -3.339 1.00 74.42 H new ATOM 0 HB2 ASP A 10 25.707 -1.794 -1.987 1.00 64.11 H new ATOM 0 HB3 ASP A 10 26.417 -2.014 -3.574 1.00 64.11 H new ATOM 164 N THR A 11 25.650 0.216 -5.483 1.00 2.45 N ATOM 165 CA THR A 11 24.893 0.190 -6.727 1.00 72.14 C ATOM 166 C THR A 11 24.230 -1.166 -6.939 1.00 62.51 C ATOM 167 O THR A 11 24.592 -2.153 -6.297 1.00 5.33 O ATOM 168 CB THR A 11 25.791 0.504 -7.938 1.00 43.24 C ATOM 169 OG1 THR A 11 26.659 -0.603 -8.205 1.00 72.34 O ATOM 170 CG2 THR A 11 26.620 1.755 -7.687 1.00 70.03 C ATOM 0 H THR A 11 26.640 0.433 -5.597 1.00 2.45 H new ATOM 0 HA THR A 11 24.124 0.959 -6.645 1.00 72.14 H new ATOM 0 HB THR A 11 25.150 0.679 -8.802 1.00 43.24 H new ATOM 0 HG1 THR A 11 27.225 -0.396 -8.977 1.00 72.34 H new ATOM 0 HG21 THR A 11 27.246 1.957 -8.556 1.00 70.03 H new ATOM 0 HG22 THR A 11 25.957 2.602 -7.513 1.00 70.03 H new ATOM 0 HG23 THR A 11 27.252 1.603 -6.812 1.00 70.03 H new ATOM 178 N HIS A 12 23.258 -1.210 -7.844 1.00 74.12 N ATOM 179 CA HIS A 12 22.545 -2.447 -8.142 1.00 31.55 C ATOM 180 C HIS A 12 21.783 -2.944 -6.916 1.00 42.42 C ATOM 181 O HIS A 12 21.521 -4.139 -6.777 1.00 42.52 O ATOM 182 CB HIS A 12 23.523 -3.522 -8.618 1.00 55.04 C ATOM 183 CG HIS A 12 24.479 -3.040 -9.665 1.00 52.42 C ATOM 184 ND1 HIS A 12 25.764 -3.522 -9.790 1.00 25.31 N ATOM 185 CD2 HIS A 12 24.330 -2.113 -10.641 1.00 21.22 C ATOM 186 CE1 HIS A 12 26.366 -2.912 -10.796 1.00 32.43 C ATOM 187 NE2 HIS A 12 25.517 -2.053 -11.329 1.00 52.23 N ATOM 0 H HIS A 12 22.946 -0.403 -8.384 1.00 74.12 H new ATOM 0 HA HIS A 12 21.827 -2.241 -8.936 1.00 31.55 H new ATOM 0 HB2 HIS A 12 24.089 -3.891 -7.763 1.00 55.04 H new ATOM 0 HB3 HIS A 12 22.958 -4.366 -9.014 1.00 55.04 H new ATOM 0 HD2 HIS A 12 23.443 -1.530 -10.841 1.00 21.22 H new ATOM 0 HE1 HIS A 12 27.380 -3.086 -11.126 1.00 32.43 H new ATOM 0 HE2 HIS A 12 25.711 -1.443 -12.123 1.00 52.23 H new ATOM 195 N PHE A 13 21.431 -2.018 -6.030 1.00 22.33 N ATOM 196 CA PHE A 13 20.701 -2.362 -4.815 1.00 2.11 C ATOM 197 C PHE A 13 21.447 -3.425 -4.015 1.00 22.55 C ATOM 198 O PHE A 13 20.875 -4.446 -3.630 1.00 53.44 O ATOM 199 CB PHE A 13 19.297 -2.860 -5.162 1.00 71.42 C ATOM 200 CG PHE A 13 18.587 -1.999 -6.167 1.00 74.43 C ATOM 201 CD1 PHE A 13 18.593 -0.619 -6.044 1.00 74.30 C ATOM 202 CD2 PHE A 13 17.914 -2.570 -7.235 1.00 55.15 C ATOM 203 CE1 PHE A 13 17.939 0.175 -6.967 1.00 41.20 C ATOM 204 CE2 PHE A 13 17.259 -1.780 -8.162 1.00 35.51 C ATOM 205 CZ PHE A 13 17.272 -0.406 -8.028 1.00 4.01 C ATOM 0 H PHE A 13 21.639 -1.025 -6.130 1.00 22.33 H new ATOM 0 HA PHE A 13 20.619 -1.463 -4.203 1.00 2.11 H new ATOM 0 HB2 PHE A 13 19.366 -3.876 -5.550 1.00 71.42 H new ATOM 0 HB3 PHE A 13 18.701 -2.907 -4.250 1.00 71.42 H new ATOM 0 HD1 PHE A 13 19.114 -0.159 -5.218 1.00 74.30 H new ATOM 0 HD2 PHE A 13 17.901 -3.644 -7.345 1.00 55.15 H new ATOM 0 HE1 PHE A 13 17.949 1.250 -6.859 1.00 41.20 H new ATOM 0 HE2 PHE A 13 16.738 -2.237 -8.990 1.00 35.51 H new ATOM 0 HZ PHE A 13 16.762 0.213 -8.751 1.00 4.01 H new ATOM 215 N LYS A 14 22.729 -3.180 -3.767 1.00 3.00 N ATOM 216 CA LYS A 14 23.556 -4.114 -3.012 1.00 71.31 C ATOM 217 C LYS A 14 23.729 -3.646 -1.571 1.00 10.11 C ATOM 218 O LYS A 14 23.638 -2.454 -1.280 1.00 42.02 O ATOM 219 CB LYS A 14 24.925 -4.268 -3.678 1.00 24.35 C ATOM 220 CG LYS A 14 25.205 -5.676 -4.176 1.00 53.41 C ATOM 221 CD LYS A 14 24.250 -6.072 -5.290 1.00 22.31 C ATOM 222 CE LYS A 14 23.353 -7.227 -4.870 1.00 43.24 C ATOM 223 NZ LYS A 14 23.999 -8.547 -5.111 1.00 42.23 N ATOM 0 H LYS A 14 23.219 -2.341 -4.078 1.00 3.00 H new ATOM 0 HA LYS A 14 23.053 -5.081 -3.003 1.00 71.31 H new ATOM 0 HB2 LYS A 14 24.992 -3.575 -4.517 1.00 24.35 H new ATOM 0 HB3 LYS A 14 25.700 -3.983 -2.967 1.00 24.35 H new ATOM 0 HG2 LYS A 14 26.232 -5.738 -4.536 1.00 53.41 H new ATOM 0 HG3 LYS A 14 25.114 -6.381 -3.349 1.00 53.41 H new ATOM 0 HD2 LYS A 14 23.636 -5.215 -5.566 1.00 22.31 H new ATOM 0 HD3 LYS A 14 24.819 -6.355 -6.175 1.00 22.31 H new ATOM 0 HE2 LYS A 14 23.108 -7.130 -3.812 1.00 43.24 H new ATOM 0 HE3 LYS A 14 22.414 -7.176 -5.421 1.00 43.24 H new ATOM 0 HZ1 LYS A 14 23.356 -9.308 -4.812 1.00 42.23 H new ATOM 0 HZ2 LYS A 14 24.210 -8.650 -6.124 1.00 42.23 H new ATOM 0 HZ3 LYS A 14 24.882 -8.606 -4.566 1.00 42.23 H new ATOM 237 N GLY A 15 23.980 -4.593 -0.672 1.00 4.44 N ATOM 238 CA GLY A 15 24.164 -4.256 0.728 1.00 34.22 C ATOM 239 C GLY A 15 22.848 -4.095 1.463 1.00 54.02 C ATOM 240 O GLY A 15 21.950 -4.928 1.334 1.00 65.42 O ATOM 0 H GLY A 15 24.059 -5.587 -0.888 1.00 4.44 H new ATOM 0 HA2 GLY A 15 24.754 -5.035 1.212 1.00 34.22 H new ATOM 0 HA3 GLY A 15 24.735 -3.330 0.804 1.00 34.22 H new ATOM 244 N TYR A 16 22.732 -3.022 2.237 1.00 53.32 N ATOM 245 CA TYR A 16 21.517 -2.756 2.999 1.00 61.25 C ATOM 246 C TYR A 16 20.671 -1.684 2.319 1.00 42.13 C ATOM 247 O TYR A 16 21.065 -1.122 1.297 1.00 2.40 O ATOM 248 CB TYR A 16 21.868 -2.319 4.422 1.00 51.34 C ATOM 249 CG TYR A 16 20.871 -2.780 5.460 1.00 35.12 C ATOM 250 CD1 TYR A 16 20.741 -4.126 5.777 1.00 34.55 C ATOM 251 CD2 TYR A 16 20.059 -1.869 6.125 1.00 73.21 C ATOM 252 CE1 TYR A 16 19.830 -4.552 6.725 1.00 22.40 C ATOM 253 CE2 TYR A 16 19.146 -2.286 7.075 1.00 5.11 C ATOM 254 CZ TYR A 16 19.036 -3.628 7.371 1.00 34.52 C ATOM 255 OH TYR A 16 18.128 -4.049 8.317 1.00 45.42 O ATOM 0 H TYR A 16 23.465 -2.322 2.354 1.00 53.32 H new ATOM 0 HA TYR A 16 20.936 -3.677 3.042 1.00 61.25 H new ATOM 0 HB2 TYR A 16 22.854 -2.707 4.680 1.00 51.34 H new ATOM 0 HB3 TYR A 16 21.935 -1.232 4.453 1.00 51.34 H new ATOM 0 HD1 TYR A 16 21.362 -4.852 5.274 1.00 34.55 H new ATOM 0 HD2 TYR A 16 20.143 -0.817 5.895 1.00 73.21 H new ATOM 0 HE1 TYR A 16 19.740 -5.603 6.959 1.00 22.40 H new ATOM 0 HE2 TYR A 16 18.522 -1.565 7.582 1.00 5.11 H new ATOM 0 HH TYR A 16 17.649 -3.274 8.678 1.00 45.42 H new ATOM 265 N SER A 17 19.506 -1.406 2.894 1.00 11.44 N ATOM 266 CA SER A 17 18.601 -0.403 2.344 1.00 63.23 C ATOM 267 C SER A 17 17.986 0.442 3.455 1.00 51.13 C ATOM 268 O SER A 17 17.668 -0.063 4.532 1.00 63.15 O ATOM 269 CB SER A 17 17.496 -1.076 1.528 1.00 70.43 C ATOM 270 OG SER A 17 17.802 -2.438 1.279 1.00 3.55 O ATOM 0 H SER A 17 19.166 -1.861 3.741 1.00 11.44 H new ATOM 0 HA SER A 17 19.178 0.252 1.691 1.00 63.23 H new ATOM 0 HB2 SER A 17 16.549 -1.005 2.064 1.00 70.43 H new ATOM 0 HB3 SER A 17 17.367 -0.550 0.582 1.00 70.43 H new ATOM 0 HG SER A 17 17.696 -2.628 0.323 1.00 3.55 H new ATOM 276 N VAL A 18 17.820 1.733 3.185 1.00 44.12 N ATOM 277 CA VAL A 18 17.242 2.650 4.160 1.00 62.01 C ATOM 278 C VAL A 18 15.931 3.238 3.651 1.00 1.30 C ATOM 279 O VAL A 18 15.866 3.765 2.541 1.00 73.42 O ATOM 280 CB VAL A 18 18.212 3.799 4.494 1.00 22.21 C ATOM 281 CG1 VAL A 18 17.648 4.667 5.608 1.00 0.40 C ATOM 282 CG2 VAL A 18 19.578 3.248 4.876 1.00 50.32 C ATOM 0 H VAL A 18 18.078 2.167 2.299 1.00 44.12 H new ATOM 0 HA VAL A 18 17.051 2.072 5.064 1.00 62.01 H new ATOM 0 HB VAL A 18 18.331 4.421 3.607 1.00 22.21 H new ATOM 0 HG11 VAL A 18 18.347 5.473 5.830 1.00 0.40 H new ATOM 0 HG12 VAL A 18 16.694 5.090 5.292 1.00 0.40 H new ATOM 0 HG13 VAL A 18 17.498 4.061 6.501 1.00 0.40 H new ATOM 0 HG21 VAL A 18 20.251 4.073 5.109 1.00 50.32 H new ATOM 0 HG22 VAL A 18 19.479 2.603 5.749 1.00 50.32 H new ATOM 0 HG23 VAL A 18 19.984 2.673 4.044 1.00 50.32 H new ATOM 292 N GLU A 19 14.889 3.145 4.471 1.00 1.44 N ATOM 293 CA GLU A 19 13.579 3.669 4.103 1.00 32.33 C ATOM 294 C GLU A 19 13.344 5.039 4.732 1.00 43.44 C ATOM 295 O GLU A 19 13.657 5.260 5.902 1.00 12.15 O ATOM 296 CB GLU A 19 12.477 2.700 4.539 1.00 3.44 C ATOM 297 CG GLU A 19 12.052 2.875 5.988 1.00 71.24 C ATOM 298 CD GLU A 19 13.204 2.705 6.959 1.00 61.03 C ATOM 299 OE1 GLU A 19 14.049 1.815 6.728 1.00 41.22 O ATOM 300 OE2 GLU A 19 13.260 3.463 7.950 1.00 64.22 O ATOM 0 H GLU A 19 14.926 2.712 5.394 1.00 1.44 H new ATOM 0 HA GLU A 19 13.551 3.777 3.019 1.00 32.33 H new ATOM 0 HB2 GLU A 19 11.608 2.837 3.895 1.00 3.44 H new ATOM 0 HB3 GLU A 19 12.825 1.677 4.392 1.00 3.44 H new ATOM 0 HG2 GLU A 19 11.616 3.865 6.118 1.00 71.24 H new ATOM 0 HG3 GLU A 19 11.273 2.150 6.224 1.00 71.24 H new ATOM 307 N LEU A 20 12.793 5.957 3.945 1.00 13.35 N ATOM 308 CA LEU A 20 12.516 7.308 4.423 1.00 21.43 C ATOM 309 C LEU A 20 11.267 7.876 3.757 1.00 21.31 C ATOM 310 O LEU A 20 11.292 8.313 2.607 1.00 52.34 O ATOM 311 CB LEU A 20 13.713 8.221 4.152 1.00 31.11 C ATOM 312 CG LEU A 20 14.692 7.743 3.079 1.00 2.33 C ATOM 313 CD1 LEU A 20 15.341 8.929 2.383 1.00 4.21 C ATOM 314 CD2 LEU A 20 15.751 6.836 3.689 1.00 35.24 C ATOM 0 H LEU A 20 12.529 5.791 2.974 1.00 13.35 H new ATOM 0 HA LEU A 20 12.341 7.258 5.498 1.00 21.43 H new ATOM 0 HB2 LEU A 20 13.338 9.202 3.862 1.00 31.11 H new ATOM 0 HB3 LEU A 20 14.262 8.353 5.084 1.00 31.11 H new ATOM 0 HG LEU A 20 14.136 7.171 2.336 1.00 2.33 H new ATOM 0 HD11 LEU A 20 16.035 8.570 1.623 1.00 4.21 H new ATOM 0 HD12 LEU A 20 14.571 9.540 1.912 1.00 4.21 H new ATOM 0 HD13 LEU A 20 15.883 9.528 3.115 1.00 4.21 H new ATOM 0 HD21 LEU A 20 16.439 6.505 2.911 1.00 35.24 H new ATOM 0 HD22 LEU A 20 16.303 7.384 4.453 1.00 35.24 H new ATOM 0 HD23 LEU A 20 15.270 5.968 4.141 1.00 35.24 H new ATOM 326 N PRO A 21 10.148 7.872 4.496 1.00 30.25 N ATOM 327 CA PRO A 21 8.869 8.386 3.999 1.00 74.12 C ATOM 328 C PRO A 21 8.875 9.903 3.840 1.00 25.53 C ATOM 329 O PRO A 21 9.879 10.561 4.115 1.00 33.02 O ATOM 330 CB PRO A 21 7.872 7.966 5.082 1.00 0.12 C ATOM 331 CG PRO A 21 8.690 7.840 6.321 1.00 71.01 C ATOM 332 CD PRO A 21 10.046 7.366 5.876 1.00 74.45 C ATOM 0 HA PRO A 21 8.632 7.998 3.008 1.00 74.12 H new ATOM 0 HB2 PRO A 21 7.082 8.708 5.203 1.00 0.12 H new ATOM 0 HB3 PRO A 21 7.387 7.023 4.830 1.00 0.12 H new ATOM 0 HG2 PRO A 21 8.762 8.796 6.840 1.00 71.01 H new ATOM 0 HG3 PRO A 21 8.238 7.133 7.017 1.00 71.01 H new ATOM 0 HD2 PRO A 21 10.839 7.764 6.510 1.00 74.45 H new ATOM 0 HD3 PRO A 21 10.124 6.279 5.912 1.00 74.45 H new ATOM 340 N VAL A 22 7.750 10.452 3.396 1.00 74.34 N ATOM 341 CA VAL A 22 7.626 11.891 3.202 1.00 14.41 C ATOM 342 C VAL A 22 8.368 12.658 4.291 1.00 51.22 C ATOM 343 O VAL A 22 8.080 12.508 5.477 1.00 34.33 O ATOM 344 CB VAL A 22 6.150 12.332 3.195 1.00 73.33 C ATOM 345 CG1 VAL A 22 5.448 11.869 4.462 1.00 32.22 C ATOM 346 CG2 VAL A 22 6.045 13.841 3.039 1.00 43.34 C ATOM 0 H VAL A 22 6.910 9.921 3.164 1.00 74.34 H new ATOM 0 HA VAL A 22 8.070 12.119 2.233 1.00 14.41 H new ATOM 0 HB VAL A 22 5.655 11.867 2.343 1.00 73.33 H new ATOM 0 HG11 VAL A 22 4.407 12.190 4.439 1.00 32.22 H new ATOM 0 HG12 VAL A 22 5.491 10.782 4.525 1.00 32.22 H new ATOM 0 HG13 VAL A 22 5.942 12.303 5.331 1.00 32.22 H new ATOM 0 HG21 VAL A 22 4.995 14.134 3.036 1.00 43.34 H new ATOM 0 HG22 VAL A 22 6.556 14.329 3.869 1.00 43.34 H new ATOM 0 HG23 VAL A 22 6.509 14.143 2.100 1.00 43.34 H new ATOM 356 N GLY A 23 9.326 13.482 3.878 1.00 2.52 N ATOM 357 CA GLY A 23 10.095 14.262 4.831 1.00 65.43 C ATOM 358 C GLY A 23 11.492 14.573 4.331 1.00 2.41 C ATOM 359 O GLY A 23 11.958 13.978 3.359 1.00 5.25 O ATOM 0 H GLY A 23 9.583 13.624 2.901 1.00 2.52 H new ATOM 0 HA2 GLY A 23 9.571 15.195 5.040 1.00 65.43 H new ATOM 0 HA3 GLY A 23 10.162 13.717 5.772 1.00 65.43 H new ATOM 363 N ASP A 24 12.161 15.510 4.995 1.00 72.20 N ATOM 364 CA ASP A 24 13.513 15.900 4.612 1.00 13.53 C ATOM 365 C ASP A 24 14.524 15.461 5.666 1.00 2.02 C ATOM 366 O ASP A 24 14.244 15.500 6.865 1.00 41.34 O ATOM 367 CB ASP A 24 13.591 17.415 4.412 1.00 64.30 C ATOM 368 CG ASP A 24 12.580 18.164 5.257 1.00 22.13 C ATOM 369 OD1 ASP A 24 12.862 18.398 6.451 1.00 10.34 O ATOM 370 OD2 ASP A 24 11.507 18.517 4.725 1.00 65.34 O ATOM 0 H ASP A 24 11.789 16.013 5.801 1.00 72.20 H new ATOM 0 HA ASP A 24 13.756 15.404 3.673 1.00 13.53 H new ATOM 0 HB2 ASP A 24 14.595 17.760 4.661 1.00 64.30 H new ATOM 0 HB3 ASP A 24 13.425 17.649 3.360 1.00 64.30 H new ATOM 375 N TYR A 25 15.700 15.042 5.212 1.00 71.12 N ATOM 376 CA TYR A 25 16.752 14.592 6.115 1.00 21.52 C ATOM 377 C TYR A 25 18.072 15.292 5.806 1.00 31.43 C ATOM 378 O TYR A 25 18.320 15.700 4.673 1.00 50.42 O ATOM 379 CB TYR A 25 16.929 13.076 6.010 1.00 21.21 C ATOM 380 CG TYR A 25 15.623 12.318 5.925 1.00 44.23 C ATOM 381 CD1 TYR A 25 14.884 12.299 4.749 1.00 52.23 C ATOM 382 CD2 TYR A 25 15.130 11.620 7.020 1.00 12.33 C ATOM 383 CE1 TYR A 25 13.690 11.609 4.667 1.00 41.03 C ATOM 384 CE2 TYR A 25 13.938 10.926 6.947 1.00 73.02 C ATOM 385 CZ TYR A 25 13.221 10.924 5.768 1.00 23.22 C ATOM 386 OH TYR A 25 12.033 10.234 5.690 1.00 23.20 O ATOM 0 H TYR A 25 15.949 15.005 4.223 1.00 71.12 H new ATOM 0 HA TYR A 25 16.456 14.847 7.133 1.00 21.52 H new ATOM 0 HB2 TYR A 25 17.529 12.849 5.129 1.00 21.21 H new ATOM 0 HB3 TYR A 25 17.488 12.723 6.876 1.00 21.21 H new ATOM 0 HD1 TYR A 25 15.249 12.833 3.884 1.00 52.23 H new ATOM 0 HD2 TYR A 25 15.688 11.620 7.944 1.00 12.33 H new ATOM 0 HE1 TYR A 25 13.127 11.606 3.745 1.00 41.03 H new ATOM 0 HE2 TYR A 25 13.569 10.388 7.808 1.00 73.02 H new ATOM 0 HH TYR A 25 11.469 10.632 4.995 1.00 23.20 H new ATOM 396 N ASN A 26 18.916 15.425 6.824 1.00 32.04 N ATOM 397 CA ASN A 26 20.211 16.075 6.663 1.00 3.32 C ATOM 398 C ASN A 26 21.345 15.057 6.743 1.00 13.13 C ATOM 399 O ASN A 26 21.110 13.848 6.736 1.00 14.02 O ATOM 400 CB ASN A 26 20.401 17.152 7.733 1.00 4.14 C ATOM 401 CG ASN A 26 19.159 17.999 7.929 1.00 74.14 C ATOM 402 OD1 ASN A 26 18.349 18.153 7.014 1.00 33.33 O ATOM 403 ND2 ASN A 26 19.003 18.553 9.125 1.00 12.52 N ATOM 0 H ASN A 26 18.726 15.091 7.769 1.00 32.04 H new ATOM 0 HA ASN A 26 20.235 16.542 5.678 1.00 3.32 H new ATOM 0 HB2 ASN A 26 20.667 16.678 8.678 1.00 4.14 H new ATOM 0 HB3 ASN A 26 21.235 17.795 7.453 1.00 4.14 H new ATOM 0 HD21 ASN A 26 18.186 19.134 9.316 1.00 12.52 H new ATOM 0 HD22 ASN A 26 19.700 18.398 9.854 1.00 12.52 H new ATOM 410 N LEU A 27 22.574 15.554 6.820 1.00 23.00 N ATOM 411 CA LEU A 27 23.746 14.688 6.902 1.00 14.24 C ATOM 412 C LEU A 27 23.716 13.852 8.177 1.00 33.54 C ATOM 413 O LEU A 27 23.985 12.651 8.150 1.00 35.42 O ATOM 414 CB LEU A 27 25.026 15.524 6.857 1.00 61.20 C ATOM 415 CG LEU A 27 26.304 14.820 7.315 1.00 34.43 C ATOM 416 CD1 LEU A 27 27.504 15.327 6.531 1.00 13.43 C ATOM 417 CD2 LEU A 27 26.516 15.020 8.809 1.00 65.33 C ATOM 0 H LEU A 27 22.786 16.552 6.827 1.00 23.00 H new ATOM 0 HA LEU A 27 23.730 14.013 6.046 1.00 14.24 H new ATOM 0 HB2 LEU A 27 25.173 15.872 5.835 1.00 61.20 H new ATOM 0 HB3 LEU A 27 24.880 16.409 7.477 1.00 61.20 H new ATOM 0 HG LEU A 27 26.197 13.752 7.123 1.00 34.43 H new ATOM 0 HD11 LEU A 27 28.404 14.814 6.871 1.00 13.43 H new ATOM 0 HD12 LEU A 27 27.354 15.131 5.469 1.00 13.43 H new ATOM 0 HD13 LEU A 27 27.616 16.400 6.690 1.00 13.43 H new ATOM 0 HD21 LEU A 27 27.430 14.512 9.118 1.00 65.33 H new ATOM 0 HD22 LEU A 27 26.602 16.085 9.025 1.00 65.33 H new ATOM 0 HD23 LEU A 27 25.669 14.606 9.355 1.00 65.33 H new ATOM 429 N SER A 28 23.385 14.494 9.293 1.00 31.00 N ATOM 430 CA SER A 28 23.321 13.809 10.579 1.00 1.50 C ATOM 431 C SER A 28 22.169 12.810 10.606 1.00 70.33 C ATOM 432 O SER A 28 22.226 11.799 11.305 1.00 21.54 O ATOM 433 CB SER A 28 23.158 14.824 11.713 1.00 73.51 C ATOM 434 OG SER A 28 24.323 14.881 12.517 1.00 0.42 O ATOM 0 H SER A 28 23.157 15.487 9.333 1.00 31.00 H new ATOM 0 HA SER A 28 24.254 13.264 10.720 1.00 1.50 H new ATOM 0 HB2 SER A 28 22.951 15.810 11.296 1.00 73.51 H new ATOM 0 HB3 SER A 28 22.300 14.552 12.328 1.00 73.51 H new ATOM 0 HG SER A 28 24.194 15.538 13.233 1.00 0.42 H new ATOM 440 N SER A 29 21.123 13.101 9.838 1.00 25.43 N ATOM 441 CA SER A 29 19.955 12.230 9.776 1.00 43.11 C ATOM 442 C SER A 29 20.275 10.945 9.019 1.00 64.31 C ATOM 443 O SER A 29 19.715 9.886 9.305 1.00 24.44 O ATOM 444 CB SER A 29 18.788 12.955 9.102 1.00 23.23 C ATOM 445 OG SER A 29 17.606 12.176 9.154 1.00 31.51 O ATOM 0 H SER A 29 21.061 13.933 9.251 1.00 25.43 H new ATOM 0 HA SER A 29 19.672 11.969 10.796 1.00 43.11 H new ATOM 0 HB2 SER A 29 18.618 13.913 9.594 1.00 23.23 H new ATOM 0 HB3 SER A 29 19.040 13.170 8.064 1.00 23.23 H new ATOM 0 HG SER A 29 16.825 12.768 9.182 1.00 31.51 H new ATOM 451 N LEU A 30 21.180 11.045 8.051 1.00 12.41 N ATOM 452 CA LEU A 30 21.576 9.892 7.251 1.00 22.53 C ATOM 453 C LEU A 30 22.193 8.807 8.129 1.00 43.04 C ATOM 454 O LEU A 30 21.857 7.629 8.005 1.00 61.12 O ATOM 455 CB LEU A 30 22.570 10.314 6.168 1.00 1.21 C ATOM 456 CG LEU A 30 21.999 11.150 5.022 1.00 12.23 C ATOM 457 CD1 LEU A 30 23.118 11.821 4.241 1.00 21.22 C ATOM 458 CD2 LEU A 30 21.149 10.285 4.103 1.00 14.23 C ATOM 0 H LEU A 30 21.653 11.913 7.802 1.00 12.41 H new ATOM 0 HA LEU A 30 20.683 9.486 6.776 1.00 22.53 H new ATOM 0 HB2 LEU A 30 23.372 10.881 6.640 1.00 1.21 H new ATOM 0 HB3 LEU A 30 23.020 9.415 5.746 1.00 1.21 H new ATOM 0 HG LEU A 30 21.364 11.927 5.447 1.00 12.23 H new ATOM 0 HD11 LEU A 30 22.692 12.411 3.430 1.00 21.22 H new ATOM 0 HD12 LEU A 30 23.685 12.473 4.905 1.00 21.22 H new ATOM 0 HD13 LEU A 30 23.780 11.060 3.827 1.00 21.22 H new ATOM 0 HD21 LEU A 30 20.751 10.896 3.293 1.00 14.23 H new ATOM 0 HD22 LEU A 30 21.762 9.485 3.686 1.00 14.23 H new ATOM 0 HD23 LEU A 30 20.325 9.852 4.670 1.00 14.23 H new ATOM 470 N ILE A 31 23.096 9.213 9.015 1.00 14.04 N ATOM 471 CA ILE A 31 23.757 8.276 9.915 1.00 13.34 C ATOM 472 C ILE A 31 22.759 7.644 10.880 1.00 24.21 C ATOM 473 O ILE A 31 22.948 6.515 11.332 1.00 31.51 O ATOM 474 CB ILE A 31 24.871 8.965 10.725 1.00 22.13 C ATOM 475 CG1 ILE A 31 25.924 9.556 9.785 1.00 15.53 C ATOM 476 CG2 ILE A 31 25.510 7.979 11.691 1.00 25.43 C ATOM 477 CD1 ILE A 31 25.862 11.064 9.682 1.00 5.45 C ATOM 0 H ILE A 31 23.387 10.184 9.129 1.00 14.04 H new ATOM 0 HA ILE A 31 24.199 7.498 9.292 1.00 13.34 H new ATOM 0 HB ILE A 31 24.430 9.777 11.303 1.00 22.13 H new ATOM 0 HG12 ILE A 31 26.915 9.264 10.133 1.00 15.53 H new ATOM 0 HG13 ILE A 31 25.795 9.126 8.792 1.00 15.53 H new ATOM 0 HG21 ILE A 31 26.295 8.481 12.256 1.00 25.43 H new ATOM 0 HG22 ILE A 31 24.753 7.601 12.378 1.00 25.43 H new ATOM 0 HG23 ILE A 31 25.940 7.148 11.132 1.00 25.43 H new ATOM 0 HD11 ILE A 31 26.636 11.414 8.999 1.00 5.45 H new ATOM 0 HD12 ILE A 31 24.884 11.363 9.305 1.00 5.45 H new ATOM 0 HD13 ILE A 31 26.021 11.503 10.667 1.00 5.45 H new ATOM 489 N SER A 32 21.696 8.379 11.190 1.00 4.31 N ATOM 490 CA SER A 32 20.669 7.891 12.103 1.00 42.41 C ATOM 491 C SER A 32 20.131 6.540 11.643 1.00 52.14 C ATOM 492 O SER A 32 19.668 5.736 12.452 1.00 72.14 O ATOM 493 CB SER A 32 19.525 8.902 12.203 1.00 33.33 C ATOM 494 OG SER A 32 18.999 8.948 13.519 1.00 44.24 O ATOM 0 H SER A 32 21.523 9.315 10.822 1.00 4.31 H new ATOM 0 HA SER A 32 21.121 7.766 13.087 1.00 42.41 H new ATOM 0 HB2 SER A 32 19.883 9.891 11.916 1.00 33.33 H new ATOM 0 HB3 SER A 32 18.735 8.633 11.501 1.00 33.33 H new ATOM 0 HG SER A 32 18.271 9.602 13.557 1.00 44.24 H new ATOM 500 N ARG A 33 20.195 6.298 10.337 1.00 3.14 N ATOM 501 CA ARG A 33 19.714 5.045 9.768 1.00 15.40 C ATOM 502 C ARG A 33 20.870 4.083 9.514 1.00 44.43 C ATOM 503 O ARG A 33 20.673 2.874 9.402 1.00 14.31 O ATOM 504 CB ARG A 33 18.960 5.310 8.463 1.00 10.03 C ATOM 505 CG ARG A 33 17.482 5.604 8.662 1.00 1.14 C ATOM 506 CD ARG A 33 17.066 6.877 7.942 1.00 15.14 C ATOM 507 NE ARG A 33 15.623 6.933 7.719 1.00 64.53 N ATOM 508 CZ ARG A 33 14.736 7.121 8.689 1.00 31.10 C ATOM 509 NH1 ARG A 33 15.141 7.272 9.942 1.00 21.54 N ATOM 510 NH2 ARG A 33 13.440 7.159 8.406 1.00 0.33 N ATOM 0 H ARG A 33 20.575 6.953 9.654 1.00 3.14 H new ATOM 0 HA ARG A 33 19.034 4.586 10.486 1.00 15.40 H new ATOM 0 HB2 ARG A 33 19.424 6.153 7.950 1.00 10.03 H new ATOM 0 HB3 ARG A 33 19.065 4.443 7.810 1.00 10.03 H new ATOM 0 HG2 ARG A 33 16.890 4.766 8.293 1.00 1.14 H new ATOM 0 HG3 ARG A 33 17.269 5.701 9.727 1.00 1.14 H new ATOM 0 HD2 ARG A 33 17.376 7.743 8.527 1.00 15.14 H new ATOM 0 HD3 ARG A 33 17.583 6.938 6.985 1.00 15.14 H new ATOM 0 HE ARG A 33 15.278 6.822 6.766 1.00 64.53 H new ATOM 0 HH11 ARG A 33 16.136 7.244 10.163 1.00 21.54 H new ATOM 0 HH12 ARG A 33 14.457 7.416 10.685 1.00 21.54 H new ATOM 0 HH21 ARG A 33 13.125 7.044 7.443 1.00 0.33 H new ATOM 0 HH22 ARG A 33 12.759 7.303 9.152 1.00 0.33 H new ATOM 524 N GLY A 34 22.079 4.630 9.423 1.00 40.04 N ATOM 525 CA GLY A 34 23.249 3.807 9.181 1.00 24.53 C ATOM 526 C GLY A 34 23.897 4.098 7.842 1.00 22.32 C ATOM 527 O GLY A 34 24.312 3.181 7.134 1.00 42.13 O ATOM 0 H GLY A 34 22.268 5.628 9.513 1.00 40.04 H new ATOM 0 HA2 GLY A 34 23.976 3.972 9.976 1.00 24.53 H new ATOM 0 HA3 GLY A 34 22.964 2.756 9.222 1.00 24.53 H new ATOM 531 N ALA A 35 23.983 5.377 7.494 1.00 55.33 N ATOM 532 CA ALA A 35 24.584 5.787 6.231 1.00 65.42 C ATOM 533 C ALA A 35 25.146 7.201 6.323 1.00 3.24 C ATOM 534 O ALA A 35 24.684 8.013 7.126 1.00 32.45 O ATOM 535 CB ALA A 35 23.564 5.694 5.106 1.00 45.34 C ATOM 0 H ALA A 35 23.644 6.148 8.069 1.00 55.33 H new ATOM 0 HA ALA A 35 25.410 5.110 6.014 1.00 65.42 H new ATOM 0 HB1 ALA A 35 24.027 6.003 4.169 1.00 45.34 H new ATOM 0 HB2 ALA A 35 23.214 4.666 5.016 1.00 45.34 H new ATOM 0 HB3 ALA A 35 22.719 6.347 5.326 1.00 45.34 H new ATOM 541 N LEU A 36 26.146 7.491 5.498 1.00 61.30 N ATOM 542 CA LEU A 36 26.772 8.808 5.487 1.00 1.31 C ATOM 543 C LEU A 36 26.327 9.613 4.270 1.00 63.53 C ATOM 544 O LEU A 36 25.552 9.131 3.445 1.00 15.13 O ATOM 545 CB LEU A 36 28.296 8.671 5.493 1.00 74.11 C ATOM 546 CG LEU A 36 28.874 7.570 4.603 1.00 34.32 C ATOM 547 CD1 LEU A 36 30.261 7.953 4.113 1.00 24.22 C ATOM 548 CD2 LEU A 36 28.917 6.246 5.353 1.00 42.21 C ATOM 0 H LEU A 36 26.541 6.831 4.828 1.00 61.30 H new ATOM 0 HA LEU A 36 26.458 9.339 6.385 1.00 1.31 H new ATOM 0 HB2 LEU A 36 28.728 9.623 5.185 1.00 74.11 H new ATOM 0 HB3 LEU A 36 28.621 8.490 6.518 1.00 74.11 H new ATOM 0 HG LEU A 36 28.225 7.452 3.735 1.00 34.32 H new ATOM 0 HD11 LEU A 36 30.656 7.158 3.481 1.00 24.22 H new ATOM 0 HD12 LEU A 36 30.201 8.877 3.538 1.00 24.22 H new ATOM 0 HD13 LEU A 36 30.921 8.099 4.968 1.00 24.22 H new ATOM 0 HD21 LEU A 36 29.331 5.474 4.705 1.00 42.21 H new ATOM 0 HD22 LEU A 36 29.543 6.350 6.239 1.00 42.21 H new ATOM 0 HD23 LEU A 36 27.908 5.965 5.653 1.00 42.21 H new ATOM 560 N ASN A 37 26.826 10.840 4.163 1.00 22.22 N ATOM 561 CA ASN A 37 26.481 11.711 3.045 1.00 23.33 C ATOM 562 C ASN A 37 27.092 11.195 1.746 1.00 50.13 C ATOM 563 O ASN A 37 26.403 11.062 0.734 1.00 1.30 O ATOM 564 CB ASN A 37 26.961 13.138 3.317 1.00 65.24 C ATOM 565 CG ASN A 37 28.435 13.195 3.669 1.00 23.21 C ATOM 566 OD1 ASN A 37 28.852 12.713 4.723 1.00 40.33 O ATOM 567 ND2 ASN A 37 29.232 13.786 2.786 1.00 22.24 N ATOM 0 H ASN A 37 27.471 11.254 4.837 1.00 22.22 H new ATOM 0 HA ASN A 37 25.396 11.714 2.939 1.00 23.33 H new ATOM 0 HB2 ASN A 37 26.776 13.754 2.437 1.00 65.24 H new ATOM 0 HB3 ASN A 37 26.379 13.565 4.133 1.00 65.24 H new ATOM 0 HD21 ASN A 37 30.233 13.854 2.968 1.00 22.24 H new ATOM 0 HD22 ASN A 37 28.843 14.171 1.926 1.00 22.24 H new ATOM 574 N ASP A 38 28.388 10.906 1.781 1.00 20.15 N ATOM 575 CA ASP A 38 29.092 10.403 0.607 1.00 11.14 C ATOM 576 C ASP A 38 29.236 8.886 0.669 1.00 70.43 C ATOM 577 O ASP A 38 30.188 8.366 1.251 1.00 34.54 O ATOM 578 CB ASP A 38 30.471 11.055 0.495 1.00 21.44 C ATOM 579 CG ASP A 38 31.295 10.886 1.757 1.00 64.24 C ATOM 580 OD1 ASP A 38 31.021 11.598 2.745 1.00 35.02 O ATOM 581 OD2 ASP A 38 32.215 10.041 1.755 1.00 33.13 O ATOM 0 H ASP A 38 28.973 11.011 2.610 1.00 20.15 H new ATOM 0 HA ASP A 38 28.505 10.658 -0.276 1.00 11.14 H new ATOM 0 HB2 ASP A 38 31.008 10.620 -0.347 1.00 21.44 H new ATOM 0 HB3 ASP A 38 30.351 12.117 0.282 1.00 21.44 H new ATOM 586 N ASP A 39 28.285 8.181 0.065 1.00 41.51 N ATOM 587 CA ASP A 39 28.306 6.723 0.051 1.00 53.44 C ATOM 588 C ASP A 39 27.187 6.173 -0.828 1.00 72.30 C ATOM 589 O ASP A 39 27.381 5.205 -1.566 1.00 1.53 O ATOM 590 CB ASP A 39 28.171 6.176 1.472 1.00 13.25 C ATOM 591 CG ASP A 39 27.980 4.672 1.498 1.00 1.55 C ATOM 592 OD1 ASP A 39 28.374 4.008 0.517 1.00 35.13 O ATOM 593 OD2 ASP A 39 27.437 4.160 2.500 1.00 54.14 O ATOM 0 H ASP A 39 27.490 8.596 -0.421 1.00 41.51 H new ATOM 0 HA ASP A 39 29.261 6.401 -0.364 1.00 53.44 H new ATOM 0 HB2 ASP A 39 29.061 6.436 2.044 1.00 13.25 H new ATOM 0 HB3 ASP A 39 27.325 6.655 1.964 1.00 13.25 H new ATOM 598 N LEU A 40 26.015 6.793 -0.743 1.00 44.45 N ATOM 599 CA LEU A 40 24.864 6.365 -1.530 1.00 40.02 C ATOM 600 C LEU A 40 25.226 6.252 -3.008 1.00 33.33 C ATOM 601 O LEU A 40 25.640 7.228 -3.632 1.00 53.33 O ATOM 602 CB LEU A 40 23.705 7.347 -1.351 1.00 1.20 C ATOM 603 CG LEU A 40 22.718 7.023 -0.229 1.00 2.32 C ATOM 604 CD1 LEU A 40 23.449 6.866 1.096 1.00 72.34 C ATOM 605 CD2 LEU A 40 21.653 8.105 -0.127 1.00 12.11 C ATOM 0 H LEU A 40 25.837 7.594 -0.137 1.00 44.45 H new ATOM 0 HA LEU A 40 24.557 5.382 -1.174 1.00 40.02 H new ATOM 0 HB2 LEU A 40 24.120 8.338 -1.168 1.00 1.20 H new ATOM 0 HB3 LEU A 40 23.153 7.401 -2.289 1.00 1.20 H new ATOM 0 HG LEU A 40 22.227 6.079 -0.464 1.00 2.32 H new ATOM 0 HD11 LEU A 40 22.731 6.636 1.883 1.00 72.34 H new ATOM 0 HD12 LEU A 40 24.174 6.056 1.018 1.00 72.34 H new ATOM 0 HD13 LEU A 40 23.967 7.794 1.338 1.00 72.34 H new ATOM 0 HD21 LEU A 40 20.959 7.858 0.677 1.00 12.11 H new ATOM 0 HD22 LEU A 40 22.127 9.063 0.085 1.00 12.11 H new ATOM 0 HD23 LEU A 40 21.109 8.170 -1.069 1.00 12.11 H new ATOM 617 N SER A 41 25.065 5.054 -3.561 1.00 34.01 N ATOM 618 CA SER A 41 25.376 4.812 -4.965 1.00 14.40 C ATOM 619 C SER A 41 24.121 4.422 -5.740 1.00 52.20 C ATOM 620 O SER A 41 24.080 4.519 -6.966 1.00 51.45 O ATOM 621 CB SER A 41 26.431 3.712 -5.093 1.00 51.24 C ATOM 622 OG SER A 41 27.403 4.049 -6.068 1.00 2.43 O ATOM 0 H SER A 41 24.721 4.236 -3.058 1.00 34.01 H new ATOM 0 HA SER A 41 25.771 5.735 -5.389 1.00 14.40 H new ATOM 0 HB2 SER A 41 26.917 3.555 -4.130 1.00 51.24 H new ATOM 0 HB3 SER A 41 25.950 2.772 -5.364 1.00 51.24 H new ATOM 0 HG SER A 41 28.149 3.415 -6.019 1.00 2.43 H new ATOM 628 N SER A 42 23.098 3.980 -5.015 1.00 4.03 N ATOM 629 CA SER A 42 21.843 3.571 -5.633 1.00 72.01 C ATOM 630 C SER A 42 20.665 3.847 -4.704 1.00 35.51 C ATOM 631 O SER A 42 20.847 4.160 -3.528 1.00 24.20 O ATOM 632 CB SER A 42 21.887 2.084 -5.992 1.00 0.40 C ATOM 633 OG SER A 42 22.152 1.901 -7.372 1.00 31.41 O ATOM 0 H SER A 42 23.114 3.896 -3.999 1.00 4.03 H new ATOM 0 HA SER A 42 21.709 4.153 -6.545 1.00 72.01 H new ATOM 0 HB2 SER A 42 22.656 1.587 -5.401 1.00 0.40 H new ATOM 0 HB3 SER A 42 20.936 1.616 -5.736 1.00 0.40 H new ATOM 0 HG SER A 42 22.646 2.675 -7.716 1.00 31.41 H new ATOM 639 N ALA A 43 19.455 3.727 -5.241 1.00 51.32 N ATOM 640 CA ALA A 43 18.246 3.961 -4.461 1.00 50.32 C ATOM 641 C ALA A 43 16.996 3.729 -5.303 1.00 31.21 C ATOM 642 O ALA A 43 16.809 4.363 -6.341 1.00 55.13 O ATOM 643 CB ALA A 43 18.248 5.373 -3.895 1.00 3.51 C ATOM 0 H ALA A 43 19.286 3.469 -6.213 1.00 51.32 H new ATOM 0 HA ALA A 43 18.233 3.250 -3.635 1.00 50.32 H new ATOM 0 HB1 ALA A 43 17.339 5.534 -3.315 1.00 3.51 H new ATOM 0 HB2 ALA A 43 19.118 5.506 -3.251 1.00 3.51 H new ATOM 0 HB3 ALA A 43 18.288 6.093 -4.713 1.00 3.51 H new ATOM 649 N ARG A 44 16.144 2.815 -4.849 1.00 11.51 N ATOM 650 CA ARG A 44 14.912 2.498 -5.562 1.00 3.22 C ATOM 651 C ARG A 44 13.718 3.202 -4.924 1.00 21.12 C ATOM 652 O ARG A 44 13.632 3.317 -3.701 1.00 64.11 O ATOM 653 CB ARG A 44 14.680 0.986 -5.574 1.00 41.21 C ATOM 654 CG ARG A 44 13.474 0.562 -6.396 1.00 14.05 C ATOM 655 CD ARG A 44 12.288 0.220 -5.507 1.00 74.24 C ATOM 656 NE ARG A 44 11.104 -0.132 -6.287 1.00 33.11 N ATOM 657 CZ ARG A 44 9.928 -0.430 -5.744 1.00 65.23 C ATOM 658 NH1 ARG A 44 9.781 -0.419 -4.427 1.00 12.43 N ATOM 659 NH2 ARG A 44 8.898 -0.740 -6.520 1.00 74.31 N ATOM 0 H ARG A 44 16.284 2.281 -3.991 1.00 11.51 H new ATOM 0 HA ARG A 44 15.014 2.851 -6.588 1.00 3.22 H new ATOM 0 HB2 ARG A 44 15.569 0.494 -5.968 1.00 41.21 H new ATOM 0 HB3 ARG A 44 14.551 0.638 -4.549 1.00 41.21 H new ATOM 0 HG2 ARG A 44 13.198 1.364 -7.080 1.00 14.05 H new ATOM 0 HG3 ARG A 44 13.734 -0.303 -7.007 1.00 14.05 H new ATOM 0 HD2 ARG A 44 12.552 -0.612 -4.854 1.00 74.24 H new ATOM 0 HD3 ARG A 44 12.059 1.070 -4.864 1.00 74.24 H new ATOM 0 HE ARG A 44 11.184 -0.150 -7.304 1.00 33.11 H new ATOM 0 HH11 ARG A 44 10.571 -0.181 -3.828 1.00 12.43 H new ATOM 0 HH12 ARG A 44 8.877 -0.648 -4.013 1.00 12.43 H new ATOM 0 HH21 ARG A 44 9.008 -0.750 -7.534 1.00 74.31 H new ATOM 0 HH22 ARG A 44 7.996 -0.969 -6.103 1.00 74.31 H new ATOM 673 N VAL A 45 12.798 3.672 -5.761 1.00 23.34 N ATOM 674 CA VAL A 45 11.609 4.364 -5.279 1.00 33.41 C ATOM 675 C VAL A 45 10.346 3.795 -5.917 1.00 21.13 C ATOM 676 O VAL A 45 10.363 3.281 -7.035 1.00 41.25 O ATOM 677 CB VAL A 45 11.682 5.874 -5.570 1.00 12.44 C ATOM 678 CG1 VAL A 45 12.962 6.466 -5.001 1.00 45.32 C ATOM 679 CG2 VAL A 45 11.583 6.134 -7.065 1.00 55.12 C ATOM 0 H VAL A 45 12.854 3.586 -6.776 1.00 23.34 H new ATOM 0 HA VAL A 45 11.569 4.211 -4.201 1.00 33.41 H new ATOM 0 HB VAL A 45 10.837 6.361 -5.083 1.00 12.44 H new ATOM 0 HG11 VAL A 45 12.996 7.534 -5.216 1.00 45.32 H new ATOM 0 HG12 VAL A 45 12.986 6.312 -3.922 1.00 45.32 H new ATOM 0 HG13 VAL A 45 13.823 5.976 -5.456 1.00 45.32 H new ATOM 0 HG21 VAL A 45 11.636 7.206 -7.252 1.00 55.12 H new ATOM 0 HG22 VAL A 45 12.406 5.635 -7.576 1.00 55.12 H new ATOM 0 HG23 VAL A 45 10.635 5.747 -7.440 1.00 55.12 H new ATOM 689 N PRO A 46 9.223 3.888 -5.190 1.00 14.00 N ATOM 690 CA PRO A 46 7.929 3.389 -5.665 1.00 52.12 C ATOM 691 C PRO A 46 7.372 4.224 -6.813 1.00 72.13 C ATOM 692 O PRO A 46 7.952 5.241 -7.192 1.00 42.13 O ATOM 693 CB PRO A 46 7.029 3.507 -4.433 1.00 33.13 C ATOM 694 CG PRO A 46 7.647 4.587 -3.614 1.00 52.42 C ATOM 695 CD PRO A 46 9.129 4.488 -3.848 1.00 52.15 C ATOM 0 HA PRO A 46 8.003 2.376 -6.060 1.00 52.12 H new ATOM 0 HB2 PRO A 46 6.006 3.759 -4.713 1.00 33.13 H new ATOM 0 HB3 PRO A 46 6.987 2.567 -3.882 1.00 33.13 H new ATOM 0 HG2 PRO A 46 7.270 5.566 -3.910 1.00 52.42 H new ATOM 0 HG3 PRO A 46 7.409 4.460 -2.558 1.00 52.42 H new ATOM 0 HD2 PRO A 46 9.608 5.466 -3.811 1.00 52.15 H new ATOM 0 HD3 PRO A 46 9.614 3.867 -3.095 1.00 52.15 H new ATOM 703 N SER A 47 6.243 3.787 -7.363 1.00 11.51 N ATOM 704 CA SER A 47 5.609 4.493 -8.470 1.00 43.35 C ATOM 705 C SER A 47 4.831 5.705 -7.968 1.00 14.21 C ATOM 706 O SER A 47 3.837 5.567 -7.256 1.00 52.11 O ATOM 707 CB SER A 47 4.675 3.553 -9.234 1.00 54.10 C ATOM 708 OG SER A 47 5.283 2.291 -9.447 1.00 2.11 O ATOM 0 H SER A 47 5.749 2.948 -7.060 1.00 11.51 H new ATOM 0 HA SER A 47 6.393 4.841 -9.143 1.00 43.35 H new ATOM 0 HB2 SER A 47 3.748 3.424 -8.676 1.00 54.10 H new ATOM 0 HB3 SER A 47 4.410 3.999 -10.193 1.00 54.10 H new ATOM 0 HG SER A 47 4.665 1.708 -9.936 1.00 2.11 H new ATOM 714 N GLY A 48 5.291 6.894 -8.345 1.00 11.54 N ATOM 715 CA GLY A 48 4.627 8.114 -7.924 1.00 11.25 C ATOM 716 C GLY A 48 5.307 8.764 -6.735 1.00 33.34 C ATOM 717 O GLY A 48 4.643 9.308 -5.851 1.00 71.30 O ATOM 0 H GLY A 48 6.112 7.034 -8.934 1.00 11.54 H new ATOM 0 HA2 GLY A 48 4.606 8.818 -8.756 1.00 11.25 H new ATOM 0 HA3 GLY A 48 3.591 7.891 -7.669 1.00 11.25 H new ATOM 721 N LEU A 49 6.634 8.706 -6.710 1.00 14.40 N ATOM 722 CA LEU A 49 7.405 9.293 -5.619 1.00 73.40 C ATOM 723 C LEU A 49 8.411 10.309 -6.148 1.00 41.24 C ATOM 724 O LEU A 49 9.123 10.046 -7.118 1.00 20.24 O ATOM 725 CB LEU A 49 8.132 8.198 -4.837 1.00 31.34 C ATOM 726 CG LEU A 49 9.123 8.677 -3.775 1.00 60.23 C ATOM 727 CD1 LEU A 49 9.154 7.712 -2.600 1.00 2.21 C ATOM 728 CD2 LEU A 49 10.513 8.834 -4.375 1.00 55.25 C ATOM 0 H LEU A 49 7.198 8.259 -7.432 1.00 14.40 H new ATOM 0 HA LEU A 49 6.713 9.808 -4.953 1.00 73.40 H new ATOM 0 HB2 LEU A 49 7.385 7.569 -4.351 1.00 31.34 H new ATOM 0 HB3 LEU A 49 8.667 7.567 -5.547 1.00 31.34 H new ATOM 0 HG LEU A 49 8.794 9.650 -3.411 1.00 60.23 H new ATOM 0 HD11 LEU A 49 9.865 8.069 -1.855 1.00 2.21 H new ATOM 0 HD12 LEU A 49 8.161 7.649 -2.154 1.00 2.21 H new ATOM 0 HD13 LEU A 49 9.458 6.725 -2.948 1.00 2.21 H new ATOM 0 HD21 LEU A 49 11.205 9.175 -3.605 1.00 55.25 H new ATOM 0 HD22 LEU A 49 10.851 7.875 -4.767 1.00 55.25 H new ATOM 0 HD23 LEU A 49 10.480 9.565 -5.183 1.00 55.25 H new ATOM 740 N ARG A 50 8.466 11.470 -5.504 1.00 51.43 N ATOM 741 CA ARG A 50 9.386 12.526 -5.910 1.00 0.23 C ATOM 742 C ARG A 50 10.348 12.873 -4.777 1.00 42.13 C ATOM 743 O ARG A 50 9.937 13.044 -3.629 1.00 13.11 O ATOM 744 CB ARG A 50 8.609 13.774 -6.333 1.00 42.05 C ATOM 745 CG ARG A 50 9.401 14.708 -7.234 1.00 3.13 C ATOM 746 CD ARG A 50 8.570 15.179 -8.417 1.00 2.33 C ATOM 747 NE ARG A 50 9.382 15.867 -9.417 1.00 2.54 N ATOM 748 CZ ARG A 50 9.818 17.114 -9.278 1.00 4.44 C ATOM 749 NH1 ARG A 50 9.522 17.806 -8.186 1.00 25.02 N ATOM 750 NH2 ARG A 50 10.553 17.672 -10.232 1.00 32.02 N ATOM 0 H ARG A 50 7.885 11.703 -4.699 1.00 51.43 H new ATOM 0 HA ARG A 50 9.966 12.162 -6.758 1.00 0.23 H new ATOM 0 HB2 ARG A 50 7.700 13.468 -6.851 1.00 42.05 H new ATOM 0 HB3 ARG A 50 8.300 14.319 -5.441 1.00 42.05 H new ATOM 0 HG2 ARG A 50 9.739 15.570 -6.659 1.00 3.13 H new ATOM 0 HG3 ARG A 50 10.293 14.197 -7.595 1.00 3.13 H new ATOM 0 HD2 ARG A 50 8.077 14.323 -8.877 1.00 2.33 H new ATOM 0 HD3 ARG A 50 7.785 15.848 -8.065 1.00 2.33 H new ATOM 0 HE ARG A 50 9.628 15.362 -10.269 1.00 2.54 H new ATOM 0 HH11 ARG A 50 8.958 17.381 -7.450 1.00 25.02 H new ATOM 0 HH12 ARG A 50 9.858 18.763 -8.082 1.00 25.02 H new ATOM 0 HH21 ARG A 50 10.784 17.143 -11.073 1.00 32.02 H new ATOM 0 HH22 ARG A 50 10.887 18.630 -10.124 1.00 32.02 H new ATOM 764 N LEU A 51 11.631 12.975 -5.108 1.00 53.02 N ATOM 765 CA LEU A 51 12.652 13.301 -4.119 1.00 44.13 C ATOM 766 C LEU A 51 13.784 14.107 -4.750 1.00 75.24 C ATOM 767 O LEU A 51 14.014 14.030 -5.957 1.00 10.54 O ATOM 768 CB LEU A 51 13.210 12.022 -3.492 1.00 41.14 C ATOM 769 CG LEU A 51 13.843 11.021 -4.460 1.00 13.12 C ATOM 770 CD1 LEU A 51 15.333 11.286 -4.603 1.00 43.32 C ATOM 771 CD2 LEU A 51 13.596 9.595 -3.989 1.00 12.32 C ATOM 0 H LEU A 51 11.988 12.837 -6.053 1.00 53.02 H new ATOM 0 HA LEU A 51 12.188 13.907 -3.341 1.00 44.13 H new ATOM 0 HB2 LEU A 51 13.957 12.301 -2.749 1.00 41.14 H new ATOM 0 HB3 LEU A 51 12.403 11.520 -2.959 1.00 41.14 H new ATOM 0 HG LEU A 51 13.377 11.146 -5.438 1.00 13.12 H new ATOM 0 HD11 LEU A 51 15.766 10.564 -5.295 1.00 43.32 H new ATOM 0 HD12 LEU A 51 15.488 12.295 -4.986 1.00 43.32 H new ATOM 0 HD13 LEU A 51 15.815 11.190 -3.630 1.00 43.32 H new ATOM 0 HD21 LEU A 51 14.053 8.896 -4.689 1.00 12.32 H new ATOM 0 HD22 LEU A 51 14.034 9.457 -3.001 1.00 12.32 H new ATOM 0 HD23 LEU A 51 12.523 9.409 -3.939 1.00 12.32 H new ATOM 783 N GLU A 52 14.487 14.876 -3.926 1.00 12.45 N ATOM 784 CA GLU A 52 15.595 15.695 -4.404 1.00 31.32 C ATOM 785 C GLU A 52 16.839 15.481 -3.546 1.00 71.23 C ATOM 786 O GLU A 52 16.756 15.403 -2.320 1.00 51.54 O ATOM 787 CB GLU A 52 15.205 17.174 -4.397 1.00 5.54 C ATOM 788 CG GLU A 52 14.170 17.536 -5.448 1.00 13.32 C ATOM 789 CD GLU A 52 13.339 18.743 -5.057 1.00 51.20 C ATOM 790 OE1 GLU A 52 12.791 18.747 -3.935 1.00 2.24 O ATOM 791 OE2 GLU A 52 13.236 19.683 -5.873 1.00 22.21 O ATOM 0 H GLU A 52 14.310 14.949 -2.924 1.00 12.45 H new ATOM 0 HA GLU A 52 15.823 15.392 -5.426 1.00 31.32 H new ATOM 0 HB2 GLU A 52 14.817 17.434 -3.412 1.00 5.54 H new ATOM 0 HB3 GLU A 52 16.099 17.777 -4.557 1.00 5.54 H new ATOM 0 HG2 GLU A 52 14.673 17.737 -6.394 1.00 13.32 H new ATOM 0 HG3 GLU A 52 13.511 16.684 -5.612 1.00 13.32 H new ATOM 798 N VAL A 53 17.992 15.385 -4.200 1.00 41.25 N ATOM 799 CA VAL A 53 19.254 15.181 -3.499 1.00 61.34 C ATOM 800 C VAL A 53 19.976 16.504 -3.271 1.00 23.35 C ATOM 801 O VAL A 53 19.995 17.372 -4.143 1.00 15.43 O ATOM 802 CB VAL A 53 20.182 14.230 -4.279 1.00 52.34 C ATOM 803 CG1 VAL A 53 21.440 13.935 -3.478 1.00 5.51 C ATOM 804 CG2 VAL A 53 19.451 12.944 -4.632 1.00 71.42 C ATOM 0 H VAL A 53 18.078 15.445 -5.215 1.00 41.25 H new ATOM 0 HA VAL A 53 19.012 14.732 -2.536 1.00 61.34 H new ATOM 0 HB VAL A 53 20.478 14.719 -5.207 1.00 52.34 H new ATOM 0 HG11 VAL A 53 22.083 13.262 -4.045 1.00 5.51 H new ATOM 0 HG12 VAL A 53 21.973 14.865 -3.281 1.00 5.51 H new ATOM 0 HG13 VAL A 53 21.168 13.466 -2.533 1.00 5.51 H new ATOM 0 HG21 VAL A 53 20.121 12.284 -5.183 1.00 71.42 H new ATOM 0 HG22 VAL A 53 19.124 12.449 -3.718 1.00 71.42 H new ATOM 0 HG23 VAL A 53 18.583 13.176 -5.249 1.00 71.42 H new ATOM 814 N PHE A 54 20.571 16.650 -2.091 1.00 44.34 N ATOM 815 CA PHE A 54 21.295 17.868 -1.747 1.00 5.23 C ATOM 816 C PHE A 54 22.677 17.540 -1.187 1.00 73.14 C ATOM 817 O PHE A 54 22.804 17.073 -0.056 1.00 11.43 O ATOM 818 CB PHE A 54 20.502 18.688 -0.727 1.00 74.41 C ATOM 819 CG PHE A 54 19.029 18.740 -1.016 1.00 74.33 C ATOM 820 CD1 PHE A 54 18.568 19.081 -2.278 1.00 25.50 C ATOM 821 CD2 PHE A 54 18.104 18.448 -0.026 1.00 41.32 C ATOM 822 CE1 PHE A 54 17.214 19.129 -2.548 1.00 13.04 C ATOM 823 CE2 PHE A 54 16.748 18.495 -0.290 1.00 62.21 C ATOM 824 CZ PHE A 54 16.302 18.837 -1.552 1.00 24.31 C ATOM 0 H PHE A 54 20.566 15.941 -1.358 1.00 44.34 H new ATOM 0 HA PHE A 54 21.420 18.455 -2.657 1.00 5.23 H new ATOM 0 HB2 PHE A 54 20.655 18.264 0.266 1.00 74.41 H new ATOM 0 HB3 PHE A 54 20.896 19.704 -0.704 1.00 74.41 H new ATOM 0 HD1 PHE A 54 19.276 19.312 -3.060 1.00 25.50 H new ATOM 0 HD2 PHE A 54 18.447 18.181 0.963 1.00 41.32 H new ATOM 0 HE1 PHE A 54 16.869 19.394 -3.536 1.00 13.04 H new ATOM 0 HE2 PHE A 54 16.037 18.264 0.490 1.00 62.21 H new ATOM 0 HZ PHE A 54 15.243 18.876 -1.760 1.00 24.31 H new ATOM 834 N GLN A 55 23.707 17.787 -1.990 1.00 23.25 N ATOM 835 CA GLN A 55 25.079 17.516 -1.575 1.00 51.24 C ATOM 836 C GLN A 55 25.374 18.151 -0.220 1.00 73.13 C ATOM 837 O GLN A 55 26.097 17.583 0.599 1.00 71.02 O ATOM 838 CB GLN A 55 26.063 18.041 -2.622 1.00 60.24 C ATOM 839 CG GLN A 55 27.451 17.429 -2.514 1.00 15.35 C ATOM 840 CD GLN A 55 28.485 18.416 -2.010 1.00 2.04 C ATOM 841 OE1 GLN A 55 29.021 19.217 -2.776 1.00 40.10 O ATOM 842 NE2 GLN A 55 28.772 18.363 -0.714 1.00 41.51 N ATOM 0 H GLN A 55 23.618 18.173 -2.930 1.00 23.25 H new ATOM 0 HA GLN A 55 25.198 16.436 -1.483 1.00 51.24 H new ATOM 0 HB2 GLN A 55 25.663 17.841 -3.616 1.00 60.24 H new ATOM 0 HB3 GLN A 55 26.144 19.123 -2.522 1.00 60.24 H new ATOM 0 HG2 GLN A 55 27.415 16.571 -1.842 1.00 15.35 H new ATOM 0 HG3 GLN A 55 27.757 17.056 -3.491 1.00 15.35 H new ATOM 0 HE21 GLN A 55 28.304 17.683 -0.115 1.00 41.51 H new ATOM 0 HE22 GLN A 55 29.461 19.002 -0.318 1.00 41.51 H new ATOM 851 N HIS A 56 24.809 19.332 0.010 1.00 42.33 N ATOM 852 CA HIS A 56 25.012 20.044 1.266 1.00 14.55 C ATOM 853 C HIS A 56 23.778 19.936 2.157 1.00 33.33 C ATOM 854 O HIS A 56 22.740 19.427 1.737 1.00 72.43 O ATOM 855 CB HIS A 56 25.333 21.515 0.998 1.00 71.13 C ATOM 856 CG HIS A 56 26.758 21.754 0.604 1.00 51.40 C ATOM 857 ND1 HIS A 56 27.717 22.205 1.486 1.00 20.23 N ATOM 858 CD2 HIS A 56 27.385 21.602 -0.586 1.00 23.44 C ATOM 859 CE1 HIS A 56 28.872 22.321 0.856 1.00 23.51 C ATOM 860 NE2 HIS A 56 28.698 21.960 -0.403 1.00 2.14 N ATOM 0 H HIS A 56 24.207 19.816 -0.657 1.00 42.33 H new ATOM 0 HA HIS A 56 25.854 19.584 1.783 1.00 14.55 H new ATOM 0 HB2 HIS A 56 24.679 21.883 0.207 1.00 71.13 H new ATOM 0 HB3 HIS A 56 25.109 22.096 1.893 1.00 71.13 H new ATOM 0 HD2 HIS A 56 26.936 21.262 -1.508 1.00 23.44 H new ATOM 0 HE1 HIS A 56 29.801 22.654 1.295 1.00 23.51 H new ATOM 0 HE2 HIS A 56 29.421 21.949 -1.122 1.00 2.14 H new ATOM 868 N ASN A 57 23.900 20.417 3.390 1.00 14.02 N ATOM 869 CA ASN A 57 22.794 20.372 4.341 1.00 44.42 C ATOM 870 C ASN A 57 22.261 21.774 4.621 1.00 2.12 C ATOM 871 O ASN A 57 21.928 22.106 5.758 1.00 40.42 O ATOM 872 CB ASN A 57 23.244 19.715 5.647 1.00 22.01 C ATOM 873 CG ASN A 57 24.306 20.525 6.366 1.00 34.34 C ATOM 874 OD1 ASN A 57 24.912 21.426 5.788 1.00 44.30 O ATOM 875 ND2 ASN A 57 24.535 20.206 7.635 1.00 74.51 N ATOM 0 H ASN A 57 24.753 20.842 3.754 1.00 14.02 H new ATOM 0 HA ASN A 57 21.992 19.779 3.901 1.00 44.42 H new ATOM 0 HB2 ASN A 57 22.382 19.588 6.302 1.00 22.01 H new ATOM 0 HB3 ASN A 57 23.633 18.719 5.434 1.00 22.01 H new ATOM 0 HD21 ASN A 57 25.238 20.716 8.170 1.00 74.51 H new ATOM 0 HD22 ASN A 57 24.008 19.451 8.074 1.00 74.51 H new ATOM 882 N ASN A 58 22.183 22.592 3.576 1.00 21.41 N ATOM 883 CA ASN A 58 21.690 23.958 3.710 1.00 63.24 C ATOM 884 C ASN A 58 21.025 24.425 2.419 1.00 72.55 C ATOM 885 O ASN A 58 20.857 25.623 2.192 1.00 41.01 O ATOM 886 CB ASN A 58 22.837 24.902 4.076 1.00 50.22 C ATOM 887 CG ASN A 58 22.954 25.116 5.573 1.00 41.24 C ATOM 888 OD1 ASN A 58 23.822 24.538 6.227 1.00 11.54 O ATOM 889 ND2 ASN A 58 22.078 25.950 6.121 1.00 21.12 N ATOM 0 H ASN A 58 22.455 22.333 2.628 1.00 21.41 H new ATOM 0 HA ASN A 58 20.947 23.973 4.507 1.00 63.24 H new ATOM 0 HB2 ASN A 58 23.774 24.496 3.695 1.00 50.22 H new ATOM 0 HB3 ASN A 58 22.684 25.863 3.585 1.00 50.22 H new ATOM 0 HD21 ASN A 58 22.107 26.134 7.124 1.00 21.12 H new ATOM 0 HD22 ASN A 58 21.376 26.407 5.539 1.00 21.12 H new ATOM 896 N PHE A 59 20.647 23.469 1.575 1.00 12.44 N ATOM 897 CA PHE A 59 20.000 23.782 0.307 1.00 74.05 C ATOM 898 C PHE A 59 20.803 24.819 -0.473 1.00 12.44 C ATOM 899 O PHE A 59 20.243 25.626 -1.215 1.00 75.02 O ATOM 900 CB PHE A 59 18.579 24.296 0.547 1.00 12.24 C ATOM 901 CG PHE A 59 17.569 23.201 0.739 1.00 23.20 C ATOM 902 CD1 PHE A 59 17.334 22.670 1.997 1.00 13.01 C ATOM 903 CD2 PHE A 59 16.855 22.702 -0.339 1.00 4.14 C ATOM 904 CE1 PHE A 59 16.406 21.661 2.176 1.00 51.41 C ATOM 905 CE2 PHE A 59 15.926 21.694 -0.166 1.00 31.21 C ATOM 906 CZ PHE A 59 15.700 21.174 1.093 1.00 22.44 C ATOM 0 H PHE A 59 20.778 22.472 1.747 1.00 12.44 H new ATOM 0 HA PHE A 59 19.953 22.866 -0.283 1.00 74.05 H new ATOM 0 HB2 PHE A 59 18.578 24.939 1.427 1.00 12.24 H new ATOM 0 HB3 PHE A 59 18.277 24.913 -0.299 1.00 12.24 H new ATOM 0 HD1 PHE A 59 17.882 23.049 2.847 1.00 13.01 H new ATOM 0 HD2 PHE A 59 17.027 23.106 -1.326 1.00 4.14 H new ATOM 0 HE1 PHE A 59 16.233 21.254 3.161 1.00 51.41 H new ATOM 0 HE2 PHE A 59 15.377 21.313 -1.015 1.00 31.21 H new ATOM 0 HZ PHE A 59 14.972 20.388 1.231 1.00 22.44 H new ATOM 916 N LYS A 60 22.120 24.793 -0.297 1.00 74.24 N ATOM 917 CA LYS A 60 23.002 25.729 -0.983 1.00 43.12 C ATOM 918 C LYS A 60 23.642 25.078 -2.205 1.00 25.00 C ATOM 919 O LYS A 60 23.797 25.711 -3.249 1.00 34.04 O ATOM 920 CB LYS A 60 24.090 26.228 -0.029 1.00 51.44 C ATOM 921 CG LYS A 60 24.987 25.124 0.502 1.00 34.22 C ATOM 922 CD LYS A 60 26.270 25.011 -0.304 1.00 31.15 C ATOM 923 CE LYS A 60 27.488 25.367 0.535 1.00 12.02 C ATOM 924 NZ LYS A 60 28.752 25.242 -0.242 1.00 21.44 N ATOM 0 H LYS A 60 22.600 24.133 0.315 1.00 74.24 H new ATOM 0 HA LYS A 60 22.403 26.576 -1.317 1.00 43.12 H new ATOM 0 HB2 LYS A 60 24.704 26.966 -0.546 1.00 51.44 H new ATOM 0 HB3 LYS A 60 23.619 26.737 0.812 1.00 51.44 H new ATOM 0 HG2 LYS A 60 25.229 25.321 1.546 1.00 34.22 H new ATOM 0 HG3 LYS A 60 24.453 24.174 0.472 1.00 34.22 H new ATOM 0 HD2 LYS A 60 26.373 23.995 -0.685 1.00 31.15 H new ATOM 0 HD3 LYS A 60 26.217 25.672 -1.169 1.00 31.15 H new ATOM 0 HE2 LYS A 60 27.389 26.387 0.905 1.00 12.02 H new ATOM 0 HE3 LYS A 60 27.532 24.715 1.407 1.00 12.02 H new ATOM 0 HZ1 LYS A 60 29.557 25.173 0.413 1.00 21.44 H new ATOM 0 HZ2 LYS A 60 28.713 24.388 -0.834 1.00 21.44 H new ATOM 0 HZ3 LYS A 60 28.870 26.078 -0.849 1.00 21.44 H new ATOM 938 N GLY A 61 24.012 23.808 -2.068 1.00 5.21 N ATOM 939 CA GLY A 61 24.630 23.093 -3.169 1.00 23.51 C ATOM 940 C GLY A 61 23.629 22.693 -4.235 1.00 24.22 C ATOM 941 O GLY A 61 22.420 22.733 -4.008 1.00 21.54 O ATOM 0 H GLY A 61 23.895 23.262 -1.214 1.00 5.21 H new ATOM 0 HA2 GLY A 61 25.402 23.719 -3.617 1.00 23.51 H new ATOM 0 HA3 GLY A 61 25.125 22.200 -2.786 1.00 23.51 H new ATOM 945 N VAL A 62 24.133 22.308 -5.403 1.00 64.50 N ATOM 946 CA VAL A 62 23.275 21.899 -6.509 1.00 1.53 C ATOM 947 C VAL A 62 22.277 20.835 -6.066 1.00 65.01 C ATOM 948 O VAL A 62 22.664 19.765 -5.595 1.00 51.05 O ATOM 949 CB VAL A 62 24.101 21.354 -7.689 1.00 1.22 C ATOM 950 CG1 VAL A 62 25.008 20.223 -7.228 1.00 41.25 C ATOM 951 CG2 VAL A 62 23.185 20.891 -8.811 1.00 34.41 C ATOM 0 H VAL A 62 25.131 22.271 -5.608 1.00 64.50 H new ATOM 0 HA VAL A 62 22.734 22.787 -6.835 1.00 1.53 H new ATOM 0 HB VAL A 62 24.729 22.158 -8.073 1.00 1.22 H new ATOM 0 HG11 VAL A 62 25.584 19.850 -8.075 1.00 41.25 H new ATOM 0 HG12 VAL A 62 25.689 20.592 -6.461 1.00 41.25 H new ATOM 0 HG13 VAL A 62 24.402 19.415 -6.818 1.00 41.25 H new ATOM 0 HG21 VAL A 62 23.785 20.509 -9.637 1.00 34.41 H new ATOM 0 HG22 VAL A 62 22.530 20.102 -8.443 1.00 34.41 H new ATOM 0 HG23 VAL A 62 22.582 21.730 -9.159 1.00 34.41 H new ATOM 961 N ARG A 63 20.992 21.136 -6.221 1.00 22.34 N ATOM 962 CA ARG A 63 19.938 20.205 -5.836 1.00 62.31 C ATOM 963 C ARG A 63 19.531 19.327 -7.016 1.00 22.10 C ATOM 964 O ARG A 63 19.268 19.824 -8.111 1.00 2.30 O ATOM 965 CB ARG A 63 18.721 20.968 -5.311 1.00 31.13 C ATOM 966 CG ARG A 63 18.047 21.836 -6.360 1.00 41.52 C ATOM 967 CD ARG A 63 16.872 22.605 -5.776 1.00 50.14 C ATOM 968 NE ARG A 63 16.287 23.529 -6.745 1.00 30.15 N ATOM 969 CZ ARG A 63 15.082 24.071 -6.608 1.00 73.50 C ATOM 970 NH1 ARG A 63 14.338 23.782 -5.549 1.00 11.51 N ATOM 971 NH2 ARG A 63 14.618 24.903 -7.532 1.00 25.31 N ATOM 0 H ARG A 63 20.656 22.017 -6.610 1.00 22.34 H new ATOM 0 HA ARG A 63 20.325 19.564 -5.044 1.00 62.31 H new ATOM 0 HB2 ARG A 63 17.995 20.254 -4.922 1.00 31.13 H new ATOM 0 HB3 ARG A 63 19.030 21.596 -4.475 1.00 31.13 H new ATOM 0 HG2 ARG A 63 18.772 22.537 -6.774 1.00 41.52 H new ATOM 0 HG3 ARG A 63 17.701 21.211 -7.183 1.00 41.52 H new ATOM 0 HD2 ARG A 63 16.110 21.902 -5.439 1.00 50.14 H new ATOM 0 HD3 ARG A 63 17.203 23.161 -4.899 1.00 50.14 H new ATOM 0 HE ARG A 63 16.834 23.771 -7.572 1.00 30.15 H new ATOM 0 HH11 ARG A 63 14.691 23.142 -4.837 1.00 11.51 H new ATOM 0 HH12 ARG A 63 13.413 24.200 -5.446 1.00 11.51 H new ATOM 0 HH21 ARG A 63 15.187 25.127 -8.349 1.00 25.31 H new ATOM 0 HH22 ARG A 63 13.693 25.319 -7.426 1.00 25.31 H new ATOM 985 N ASP A 64 19.482 18.020 -6.785 1.00 21.32 N ATOM 986 CA ASP A 64 19.107 17.072 -7.828 1.00 12.31 C ATOM 987 C ASP A 64 17.689 16.555 -7.608 1.00 14.23 C ATOM 988 O ASP A 64 17.029 16.917 -6.633 1.00 22.31 O ATOM 989 CB ASP A 64 20.090 15.901 -7.861 1.00 44.52 C ATOM 990 CG ASP A 64 20.322 15.380 -9.266 1.00 23.13 C ATOM 991 OD1 ASP A 64 19.520 14.541 -9.728 1.00 2.34 O ATOM 992 OD2 ASP A 64 21.305 15.811 -9.903 1.00 65.03 O ATOM 0 H ASP A 64 19.697 17.592 -5.884 1.00 21.32 H new ATOM 0 HA ASP A 64 19.141 17.592 -8.786 1.00 12.31 H new ATOM 0 HB2 ASP A 64 21.041 16.216 -7.432 1.00 44.52 H new ATOM 0 HB3 ASP A 64 19.710 15.094 -7.235 1.00 44.52 H new ATOM 997 N PHE A 65 17.225 15.708 -8.521 1.00 13.15 N ATOM 998 CA PHE A 65 15.884 15.143 -8.427 1.00 73.24 C ATOM 999 C PHE A 65 15.860 13.710 -8.951 1.00 70.21 C ATOM 1000 O PHE A 65 16.617 13.355 -9.855 1.00 23.13 O ATOM 1001 CB PHE A 65 14.890 16.001 -9.212 1.00 53.25 C ATOM 1002 CG PHE A 65 15.324 16.284 -10.622 1.00 63.42 C ATOM 1003 CD1 PHE A 65 15.078 15.369 -11.634 1.00 13.15 C ATOM 1004 CD2 PHE A 65 15.979 17.464 -10.936 1.00 72.32 C ATOM 1005 CE1 PHE A 65 15.477 15.626 -12.931 1.00 43.33 C ATOM 1006 CE2 PHE A 65 16.380 17.727 -12.232 1.00 65.44 C ATOM 1007 CZ PHE A 65 16.128 16.807 -13.231 1.00 63.04 C ATOM 0 H PHE A 65 17.758 15.398 -9.334 1.00 13.15 H new ATOM 0 HA PHE A 65 15.594 15.132 -7.376 1.00 73.24 H new ATOM 0 HB2 PHE A 65 13.924 15.497 -9.232 1.00 53.25 H new ATOM 0 HB3 PHE A 65 14.745 16.946 -8.688 1.00 53.25 H new ATOM 0 HD1 PHE A 65 14.568 14.445 -11.406 1.00 13.15 H new ATOM 0 HD2 PHE A 65 16.178 18.187 -10.159 1.00 72.32 H new ATOM 0 HE1 PHE A 65 15.280 14.904 -13.710 1.00 43.33 H new ATOM 0 HE2 PHE A 65 16.890 18.651 -12.463 1.00 65.44 H new ATOM 0 HZ PHE A 65 16.439 17.011 -14.245 1.00 63.04 H new ATOM 1017 N TYR A 66 14.986 12.891 -8.377 1.00 12.02 N ATOM 1018 CA TYR A 66 14.865 11.496 -8.783 1.00 33.24 C ATOM 1019 C TYR A 66 13.419 11.020 -8.673 1.00 43.12 C ATOM 1020 O TYR A 66 12.747 11.262 -7.670 1.00 52.33 O ATOM 1021 CB TYR A 66 15.771 10.612 -7.923 1.00 55.41 C ATOM 1022 CG TYR A 66 16.923 10.002 -8.688 1.00 5.23 C ATOM 1023 CD1 TYR A 66 16.702 9.257 -9.839 1.00 72.14 C ATOM 1024 CD2 TYR A 66 18.234 10.170 -8.258 1.00 61.03 C ATOM 1025 CE1 TYR A 66 17.752 8.697 -10.541 1.00 31.11 C ATOM 1026 CE2 TYR A 66 19.290 9.615 -8.954 1.00 63.13 C ATOM 1027 CZ TYR A 66 19.044 8.879 -10.095 1.00 2.23 C ATOM 1028 OH TYR A 66 20.094 8.323 -10.790 1.00 53.41 O ATOM 0 H TYR A 66 14.351 13.169 -7.629 1.00 12.02 H new ATOM 0 HA TYR A 66 15.176 11.419 -9.825 1.00 33.24 H new ATOM 0 HB2 TYR A 66 16.167 11.205 -7.098 1.00 55.41 H new ATOM 0 HB3 TYR A 66 15.174 9.813 -7.483 1.00 55.41 H new ATOM 0 HD1 TYR A 66 15.691 9.113 -10.192 1.00 72.14 H new ATOM 0 HD2 TYR A 66 18.430 10.744 -7.365 1.00 61.03 H new ATOM 0 HE1 TYR A 66 17.562 8.120 -11.434 1.00 31.11 H new ATOM 0 HE2 TYR A 66 20.303 9.756 -8.607 1.00 63.13 H new ATOM 0 HH TYR A 66 20.823 8.115 -10.169 1.00 53.41 H new ATOM 1038 N THR A 67 12.947 10.340 -9.713 1.00 55.12 N ATOM 1039 CA THR A 67 11.582 9.830 -9.736 1.00 75.11 C ATOM 1040 C THR A 67 11.525 8.438 -10.356 1.00 0.40 C ATOM 1041 O THR A 67 10.577 8.103 -11.066 1.00 22.30 O ATOM 1042 CB THR A 67 10.644 10.767 -10.521 1.00 5.42 C ATOM 1043 OG1 THR A 67 9.298 10.284 -10.453 1.00 24.31 O ATOM 1044 CG2 THR A 67 11.078 10.873 -11.975 1.00 62.21 C ATOM 0 H THR A 67 13.490 10.130 -10.550 1.00 55.12 H new ATOM 0 HA THR A 67 11.248 9.778 -8.700 1.00 75.11 H new ATOM 0 HB THR A 67 10.696 11.758 -10.070 1.00 5.42 H new ATOM 0 HG1 THR A 67 9.263 9.364 -10.790 1.00 24.31 H new ATOM 0 HG21 THR A 67 10.401 11.540 -12.509 1.00 62.21 H new ATOM 0 HG22 THR A 67 12.092 11.270 -12.024 1.00 62.21 H new ATOM 0 HG23 THR A 67 11.053 9.885 -12.435 1.00 62.21 H new ATOM 1052 N SER A 68 12.546 7.632 -10.082 1.00 75.24 N ATOM 1053 CA SER A 68 12.613 6.277 -10.616 1.00 61.53 C ATOM 1054 C SER A 68 13.771 5.504 -9.992 1.00 31.22 C ATOM 1055 O SER A 68 14.388 5.959 -9.028 1.00 54.14 O ATOM 1056 CB SER A 68 12.771 6.312 -12.138 1.00 13.33 C ATOM 1057 OG SER A 68 14.074 6.729 -12.506 1.00 1.23 O ATOM 0 H SER A 68 13.337 7.894 -9.494 1.00 75.24 H new ATOM 0 HA SER A 68 11.682 5.769 -10.366 1.00 61.53 H new ATOM 0 HB2 SER A 68 12.572 5.323 -12.550 1.00 13.33 H new ATOM 0 HB3 SER A 68 12.034 6.990 -12.568 1.00 13.33 H new ATOM 0 HG SER A 68 14.150 6.741 -13.483 1.00 1.23 H new ATOM 1063 N ASP A 69 14.060 4.332 -10.548 1.00 11.44 N ATOM 1064 CA ASP A 69 15.144 3.495 -10.047 1.00 0.20 C ATOM 1065 C ASP A 69 16.482 4.221 -10.148 1.00 0.12 C ATOM 1066 O ASP A 69 17.122 4.220 -11.199 1.00 11.40 O ATOM 1067 CB ASP A 69 15.203 2.180 -10.826 1.00 0.31 C ATOM 1068 CG ASP A 69 13.827 1.600 -11.087 1.00 40.14 C ATOM 1069 OD1 ASP A 69 12.984 1.637 -10.167 1.00 74.15 O ATOM 1070 OD2 ASP A 69 13.594 1.108 -12.212 1.00 11.34 O ATOM 0 H ASP A 69 13.559 3.940 -11.345 1.00 11.44 H new ATOM 0 HA ASP A 69 14.947 3.278 -8.997 1.00 0.20 H new ATOM 0 HB2 ASP A 69 15.710 2.346 -11.776 1.00 0.31 H new ATOM 0 HB3 ASP A 69 15.799 1.457 -10.269 1.00 0.31 H new ATOM 1075 N ALA A 70 16.898 4.840 -9.048 1.00 11.21 N ATOM 1076 CA ALA A 70 18.160 5.569 -9.012 1.00 53.03 C ATOM 1077 C ALA A 70 19.347 4.612 -9.002 1.00 74.33 C ATOM 1078 O ALA A 70 19.748 4.117 -7.949 1.00 43.24 O ATOM 1079 CB ALA A 70 18.207 6.484 -7.797 1.00 72.24 C ATOM 0 H ALA A 70 16.379 4.851 -8.170 1.00 11.21 H new ATOM 0 HA ALA A 70 18.225 6.177 -9.914 1.00 53.03 H new ATOM 0 HB1 ALA A 70 19.155 7.022 -7.783 1.00 72.24 H new ATOM 0 HB2 ALA A 70 17.385 7.198 -7.847 1.00 72.24 H new ATOM 0 HB3 ALA A 70 18.115 5.888 -6.889 1.00 72.24 H new ATOM 1085 N ALA A 71 19.903 4.354 -10.181 1.00 42.13 N ATOM 1086 CA ALA A 71 21.045 3.457 -10.307 1.00 71.24 C ATOM 1087 C ALA A 71 22.340 4.156 -9.908 1.00 53.41 C ATOM 1088 O ALA A 71 23.310 3.509 -9.517 1.00 62.44 O ATOM 1089 CB ALA A 71 21.146 2.928 -11.730 1.00 73.25 C ATOM 0 H ALA A 71 19.581 4.753 -11.063 1.00 42.13 H new ATOM 0 HA ALA A 71 20.892 2.618 -9.628 1.00 71.24 H new ATOM 0 HB1 ALA A 71 22.003 2.259 -11.810 1.00 73.25 H new ATOM 0 HB2 ALA A 71 20.236 2.383 -11.981 1.00 73.25 H new ATOM 0 HB3 ALA A 71 21.271 3.762 -12.420 1.00 73.25 H new ATOM 1095 N GLU A 72 22.347 5.482 -10.010 1.00 35.13 N ATOM 1096 CA GLU A 72 23.524 6.268 -9.660 1.00 52.01 C ATOM 1097 C GLU A 72 23.122 7.608 -9.051 1.00 52.33 C ATOM 1098 O GLU A 72 22.448 8.417 -9.691 1.00 74.41 O ATOM 1099 CB GLU A 72 24.396 6.498 -10.896 1.00 23.01 C ATOM 1100 CG GLU A 72 25.884 6.343 -10.628 1.00 11.21 C ATOM 1101 CD GLU A 72 26.669 7.598 -10.957 1.00 25.14 C ATOM 1102 OE1 GLU A 72 26.777 8.479 -10.078 1.00 32.40 O ATOM 1103 OE2 GLU A 72 27.177 7.698 -12.093 1.00 43.52 O ATOM 0 H GLU A 72 21.552 6.033 -10.332 1.00 35.13 H new ATOM 0 HA GLU A 72 24.096 5.709 -8.919 1.00 52.01 H new ATOM 0 HB2 GLU A 72 24.100 5.795 -11.675 1.00 23.01 H new ATOM 0 HB3 GLU A 72 24.207 7.500 -11.282 1.00 23.01 H new ATOM 0 HG2 GLU A 72 26.036 6.088 -9.579 1.00 11.21 H new ATOM 0 HG3 GLU A 72 26.271 5.512 -11.217 1.00 11.21 H new ATOM 1110 N LEU A 73 23.540 7.837 -7.811 1.00 53.13 N ATOM 1111 CA LEU A 73 23.224 9.079 -7.114 1.00 74.02 C ATOM 1112 C LEU A 73 23.599 10.290 -7.962 1.00 52.11 C ATOM 1113 O LEU A 73 24.427 10.194 -8.868 1.00 32.31 O ATOM 1114 CB LEU A 73 23.956 9.135 -5.773 1.00 24.44 C ATOM 1115 CG LEU A 73 23.144 8.717 -4.546 1.00 62.23 C ATOM 1116 CD1 LEU A 73 22.111 9.778 -4.204 1.00 13.54 C ATOM 1117 CD2 LEU A 73 22.472 7.373 -4.785 1.00 32.44 C ATOM 0 H LEU A 73 24.099 7.179 -7.267 1.00 53.13 H new ATOM 0 HA LEU A 73 22.149 9.103 -6.935 1.00 74.02 H new ATOM 0 HB2 LEU A 73 24.837 8.496 -5.836 1.00 24.44 H new ATOM 0 HB3 LEU A 73 24.312 10.154 -5.618 1.00 24.44 H new ATOM 0 HG LEU A 73 23.824 8.616 -3.700 1.00 62.23 H new ATOM 0 HD11 LEU A 73 21.543 9.464 -3.329 1.00 13.54 H new ATOM 0 HD12 LEU A 73 22.615 10.721 -3.990 1.00 13.54 H new ATOM 0 HD13 LEU A 73 21.434 9.912 -5.047 1.00 13.54 H new ATOM 0 HD21 LEU A 73 21.899 7.091 -3.902 1.00 32.44 H new ATOM 0 HD22 LEU A 73 21.804 7.448 -5.643 1.00 32.44 H new ATOM 0 HD23 LEU A 73 23.232 6.616 -4.981 1.00 32.44 H new ATOM 1129 N SER A 74 22.986 11.430 -7.661 1.00 15.15 N ATOM 1130 CA SER A 74 23.254 12.660 -8.396 1.00 51.30 C ATOM 1131 C SER A 74 24.753 12.937 -8.464 1.00 32.15 C ATOM 1132 O SER A 74 25.243 13.530 -9.424 1.00 51.43 O ATOM 1133 CB SER A 74 22.535 13.840 -7.738 1.00 63.12 C ATOM 1134 OG SER A 74 23.013 14.059 -6.422 1.00 63.32 O ATOM 0 H SER A 74 22.300 11.527 -6.913 1.00 15.15 H new ATOM 0 HA SER A 74 22.879 12.536 -9.412 1.00 51.30 H new ATOM 0 HB2 SER A 74 22.683 14.739 -8.336 1.00 63.12 H new ATOM 0 HB3 SER A 74 21.462 13.647 -7.711 1.00 63.12 H new ATOM 0 HG SER A 74 22.539 14.819 -6.024 1.00 63.32 H new ATOM 1140 N ARG A 75 25.475 12.502 -7.436 1.00 41.31 N ATOM 1141 CA ARG A 75 26.918 12.704 -7.377 1.00 32.50 C ATOM 1142 C ARG A 75 27.598 11.550 -6.646 1.00 63.54 C ATOM 1143 O ARG A 75 27.176 11.155 -5.559 1.00 61.24 O ATOM 1144 CB ARG A 75 27.242 14.025 -6.678 1.00 54.31 C ATOM 1145 CG ARG A 75 27.395 15.198 -7.633 1.00 64.53 C ATOM 1146 CD ARG A 75 26.203 16.138 -7.558 1.00 34.22 C ATOM 1147 NE ARG A 75 26.045 16.922 -8.780 1.00 22.50 N ATOM 1148 CZ ARG A 75 26.776 17.994 -9.065 1.00 33.24 C ATOM 1149 NH1 ARG A 75 27.709 18.407 -8.219 1.00 44.51 N ATOM 1150 NH2 ARG A 75 26.573 18.654 -10.197 1.00 42.54 N ATOM 0 H ARG A 75 25.085 12.008 -6.634 1.00 41.31 H new ATOM 0 HA ARG A 75 27.297 12.739 -8.398 1.00 32.50 H new ATOM 0 HB2 ARG A 75 26.452 14.251 -5.962 1.00 54.31 H new ATOM 0 HB3 ARG A 75 28.164 13.908 -6.109 1.00 54.31 H new ATOM 0 HG2 ARG A 75 28.307 15.746 -7.395 1.00 64.53 H new ATOM 0 HG3 ARG A 75 27.503 14.827 -8.652 1.00 64.53 H new ATOM 0 HD2 ARG A 75 25.296 15.560 -7.379 1.00 34.22 H new ATOM 0 HD3 ARG A 75 26.325 16.811 -6.709 1.00 34.22 H new ATOM 0 HE ARG A 75 25.335 16.631 -9.451 1.00 22.50 H new ATOM 0 HH11 ARG A 75 27.867 17.901 -7.347 1.00 44.51 H new ATOM 0 HH12 ARG A 75 28.269 19.230 -8.440 1.00 44.51 H new ATOM 0 HH21 ARG A 75 25.855 18.339 -10.850 1.00 42.54 H new ATOM 0 HH22 ARG A 75 27.135 19.477 -10.415 1.00 42.54 H new ATOM 1164 N ASP A 76 28.652 11.013 -7.251 1.00 44.01 N ATOM 1165 CA ASP A 76 29.392 9.905 -6.658 1.00 71.34 C ATOM 1166 C ASP A 76 29.823 10.239 -5.234 1.00 3.41 C ATOM 1167 O ASP A 76 30.648 11.127 -5.017 1.00 75.50 O ATOM 1168 CB ASP A 76 30.617 9.568 -7.510 1.00 30.33 C ATOM 1169 CG ASP A 76 30.800 8.074 -7.695 1.00 51.24 C ATOM 1170 OD1 ASP A 76 30.239 7.303 -6.889 1.00 5.53 O ATOM 1171 OD2 ASP A 76 31.504 7.676 -8.647 1.00 4.20 O ATOM 0 H ASP A 76 29.013 11.327 -8.152 1.00 44.01 H new ATOM 0 HA ASP A 76 28.733 9.037 -6.624 1.00 71.34 H new ATOM 0 HB2 ASP A 76 30.519 10.043 -8.486 1.00 30.33 H new ATOM 0 HB3 ASP A 76 31.508 9.985 -7.041 1.00 30.33 H new ATOM 1176 N ASN A 77 29.259 9.523 -4.267 1.00 3.55 N ATOM 1177 CA ASN A 77 29.585 9.746 -2.862 1.00 74.23 C ATOM 1178 C ASN A 77 29.464 11.224 -2.503 1.00 74.33 C ATOM 1179 O ASN A 77 30.466 11.902 -2.276 1.00 74.10 O ATOM 1180 CB ASN A 77 31.000 9.250 -2.561 1.00 4.44 C ATOM 1181 CG ASN A 77 31.369 8.024 -3.373 1.00 2.11 C ATOM 1182 OD1 ASN A 77 32.213 8.089 -4.267 1.00 70.20 O ATOM 1183 ND2 ASN A 77 30.736 6.898 -3.065 1.00 3.14 N ATOM 0 H ASN A 77 28.575 8.784 -4.429 1.00 3.55 H new ATOM 0 HA ASN A 77 28.874 9.185 -2.256 1.00 74.23 H new ATOM 0 HB2 ASN A 77 31.713 10.048 -2.768 1.00 4.44 H new ATOM 0 HB3 ASN A 77 31.082 9.017 -1.499 1.00 4.44 H new ATOM 0 HD21 ASN A 77 30.942 6.040 -3.577 1.00 3.14 H new ATOM 0 HD22 ASN A 77 30.044 6.891 -2.316 1.00 3.14 H new ATOM 1190 N ASP A 78 28.231 11.716 -2.454 1.00 34.43 N ATOM 1191 CA ASP A 78 27.978 13.113 -2.121 1.00 34.44 C ATOM 1192 C ASP A 78 26.482 13.373 -1.968 1.00 62.32 C ATOM 1193 O ASP A 78 25.744 13.406 -2.953 1.00 24.35 O ATOM 1194 CB ASP A 78 28.560 14.029 -3.197 1.00 42.44 C ATOM 1195 CG ASP A 78 29.644 14.941 -2.657 1.00 1.30 C ATOM 1196 OD1 ASP A 78 29.504 15.414 -1.510 1.00 33.12 O ATOM 1197 OD2 ASP A 78 30.632 15.183 -3.381 1.00 64.05 O ATOM 0 H ASP A 78 27.391 11.168 -2.641 1.00 34.43 H new ATOM 0 HA ASP A 78 28.465 13.328 -1.170 1.00 34.44 H new ATOM 0 HB2 ASP A 78 28.969 13.422 -4.004 1.00 42.44 H new ATOM 0 HB3 ASP A 78 27.761 14.634 -3.626 1.00 42.44 H new ATOM 1202 N ALA A 79 26.042 13.556 -0.728 1.00 20.34 N ATOM 1203 CA ALA A 79 24.635 13.814 -0.446 1.00 62.44 C ATOM 1204 C ALA A 79 24.403 14.024 1.046 1.00 22.51 C ATOM 1205 O ALA A 79 24.011 13.100 1.759 1.00 63.31 O ATOM 1206 CB ALA A 79 23.776 12.668 -0.960 1.00 53.12 C ATOM 0 H ALA A 79 26.640 13.530 0.098 1.00 20.34 H new ATOM 0 HA ALA A 79 24.348 14.730 -0.963 1.00 62.44 H new ATOM 0 HB1 ALA A 79 22.728 12.873 -0.743 1.00 53.12 H new ATOM 0 HB2 ALA A 79 23.911 12.567 -2.037 1.00 53.12 H new ATOM 0 HB3 ALA A 79 24.073 11.742 -0.469 1.00 53.12 H new ATOM 1212 N SER A 80 24.648 15.244 1.513 1.00 65.25 N ATOM 1213 CA SER A 80 24.470 15.573 2.922 1.00 44.52 C ATOM 1214 C SER A 80 22.996 15.524 3.309 1.00 14.11 C ATOM 1215 O SER A 80 22.599 14.760 4.189 1.00 74.35 O ATOM 1216 CB SER A 80 25.041 16.961 3.219 1.00 42.53 C ATOM 1217 OG SER A 80 26.457 16.932 3.263 1.00 63.21 O ATOM 0 H SER A 80 24.970 16.021 0.936 1.00 65.25 H new ATOM 0 HA SER A 80 25.008 14.832 3.514 1.00 44.52 H new ATOM 0 HB2 SER A 80 24.712 17.664 2.454 1.00 42.53 H new ATOM 0 HB3 SER A 80 24.652 17.321 4.171 1.00 42.53 H new ATOM 0 HG SER A 80 26.816 17.125 2.372 1.00 63.21 H new ATOM 1223 N SER A 81 22.188 16.346 2.646 1.00 62.43 N ATOM 1224 CA SER A 81 20.757 16.400 2.922 1.00 25.42 C ATOM 1225 C SER A 81 19.953 15.934 1.713 1.00 55.14 C ATOM 1226 O SER A 81 20.428 15.987 0.578 1.00 12.41 O ATOM 1227 CB SER A 81 20.344 17.821 3.308 1.00 43.34 C ATOM 1228 OG SER A 81 18.942 17.992 3.200 1.00 74.41 O ATOM 0 H SER A 81 22.500 16.984 1.914 1.00 62.43 H new ATOM 0 HA SER A 81 20.547 15.730 3.756 1.00 25.42 H new ATOM 0 HB2 SER A 81 20.661 18.030 4.330 1.00 43.34 H new ATOM 0 HB3 SER A 81 20.852 18.538 2.663 1.00 43.34 H new ATOM 0 HG SER A 81 18.487 17.289 3.708 1.00 74.41 H new ATOM 1234 N VAL A 82 18.730 15.477 1.964 1.00 53.34 N ATOM 1235 CA VAL A 82 17.857 15.003 0.896 1.00 12.04 C ATOM 1236 C VAL A 82 16.389 15.179 1.268 1.00 32.23 C ATOM 1237 O VAL A 82 16.041 15.255 2.447 1.00 43.12 O ATOM 1238 CB VAL A 82 18.119 13.520 0.574 1.00 63.11 C ATOM 1239 CG1 VAL A 82 19.454 13.356 -0.137 1.00 1.01 C ATOM 1240 CG2 VAL A 82 18.076 12.683 1.844 1.00 51.33 C ATOM 0 H VAL A 82 18.321 15.425 2.897 1.00 53.34 H new ATOM 0 HA VAL A 82 18.080 15.604 0.014 1.00 12.04 H new ATOM 0 HB VAL A 82 17.333 13.167 -0.093 1.00 63.11 H new ATOM 0 HG11 VAL A 82 19.622 12.302 -0.357 1.00 1.01 H new ATOM 0 HG12 VAL A 82 19.443 13.923 -1.068 1.00 1.01 H new ATOM 0 HG13 VAL A 82 20.255 13.726 0.503 1.00 1.01 H new ATOM 0 HG21 VAL A 82 18.263 11.638 1.597 1.00 51.33 H new ATOM 0 HG22 VAL A 82 18.840 13.035 2.538 1.00 51.33 H new ATOM 0 HG23 VAL A 82 17.094 12.776 2.308 1.00 51.33 H new ATOM 1250 N ARG A 83 15.531 15.242 0.255 1.00 31.22 N ATOM 1251 CA ARG A 83 14.100 15.409 0.475 1.00 15.35 C ATOM 1252 C ARG A 83 13.305 14.348 -0.280 1.00 63.12 C ATOM 1253 O ARG A 83 13.502 14.147 -1.479 1.00 32.53 O ATOM 1254 CB ARG A 83 13.654 16.805 0.035 1.00 70.11 C ATOM 1255 CG ARG A 83 12.165 17.053 0.213 1.00 41.31 C ATOM 1256 CD ARG A 83 11.614 17.946 -0.888 1.00 12.23 C ATOM 1257 NE ARG A 83 10.330 18.537 -0.521 1.00 53.42 N ATOM 1258 CZ ARG A 83 9.492 19.077 -1.399 1.00 74.24 C ATOM 1259 NH1 ARG A 83 9.801 19.099 -2.688 1.00 53.15 N ATOM 1260 NH2 ARG A 83 8.341 19.595 -0.989 1.00 2.15 N ATOM 0 H ARG A 83 15.802 15.180 -0.726 1.00 31.22 H new ATOM 0 HA ARG A 83 13.907 15.292 1.541 1.00 15.35 H new ATOM 0 HB2 ARG A 83 14.209 17.551 0.605 1.00 70.11 H new ATOM 0 HB3 ARG A 83 13.914 16.947 -1.014 1.00 70.11 H new ATOM 0 HG2 ARG A 83 11.634 16.101 0.211 1.00 41.31 H new ATOM 0 HG3 ARG A 83 11.986 17.517 1.183 1.00 41.31 H new ATOM 0 HD2 ARG A 83 12.330 18.739 -1.104 1.00 12.23 H new ATOM 0 HD3 ARG A 83 11.497 17.364 -1.802 1.00 12.23 H new ATOM 0 HE ARG A 83 10.062 18.535 0.463 1.00 53.42 H new ATOM 0 HH11 ARG A 83 10.684 18.701 -3.008 1.00 53.15 H new ATOM 0 HH12 ARG A 83 9.156 19.514 -3.360 1.00 53.15 H new ATOM 0 HH21 ARG A 83 8.099 19.579 0.002 1.00 2.15 H new ATOM 0 HH22 ARG A 83 7.699 20.009 -1.665 1.00 2.15 H new ATOM 1274 N VAL A 84 12.408 13.671 0.429 1.00 14.11 N ATOM 1275 CA VAL A 84 11.583 12.631 -0.174 1.00 62.21 C ATOM 1276 C VAL A 84 10.101 12.896 0.066 1.00 22.44 C ATOM 1277 O VAL A 84 9.699 13.278 1.165 1.00 33.42 O ATOM 1278 CB VAL A 84 11.941 11.239 0.380 1.00 4.00 C ATOM 1279 CG1 VAL A 84 13.441 11.000 0.296 1.00 42.42 C ATOM 1280 CG2 VAL A 84 11.450 11.094 1.812 1.00 34.42 C ATOM 0 H VAL A 84 12.234 13.824 1.422 1.00 14.11 H new ATOM 0 HA VAL A 84 11.783 12.650 -1.245 1.00 62.21 H new ATOM 0 HB VAL A 84 11.442 10.485 -0.230 1.00 4.00 H new ATOM 0 HG11 VAL A 84 13.675 10.012 0.692 1.00 42.42 H new ATOM 0 HG12 VAL A 84 13.761 11.059 -0.744 1.00 42.42 H new ATOM 0 HG13 VAL A 84 13.963 11.758 0.880 1.00 42.42 H new ATOM 0 HG21 VAL A 84 11.711 10.105 2.188 1.00 34.42 H new ATOM 0 HG22 VAL A 84 11.919 11.855 2.436 1.00 34.42 H new ATOM 0 HG23 VAL A 84 10.367 11.218 1.840 1.00 34.42 H new ATOM 1290 N SER A 85 9.293 12.689 -0.969 1.00 2.43 N ATOM 1291 CA SER A 85 7.855 12.909 -0.871 1.00 70.02 C ATOM 1292 C SER A 85 7.109 12.094 -1.923 1.00 35.43 C ATOM 1293 O SER A 85 7.707 11.584 -2.870 1.00 73.34 O ATOM 1294 CB SER A 85 7.532 14.395 -1.038 1.00 41.11 C ATOM 1295 OG SER A 85 8.244 15.180 -0.097 1.00 53.44 O ATOM 0 H SER A 85 9.610 12.369 -1.884 1.00 2.43 H new ATOM 0 HA SER A 85 7.529 12.583 0.116 1.00 70.02 H new ATOM 0 HB2 SER A 85 7.786 14.714 -2.049 1.00 41.11 H new ATOM 0 HB3 SER A 85 6.461 14.554 -0.913 1.00 41.11 H new ATOM 0 HG SER A 85 8.022 16.126 -0.225 1.00 53.44 H new ATOM 1301 N LYS A 86 5.797 11.974 -1.748 1.00 53.53 N ATOM 1302 CA LYS A 86 4.965 11.223 -2.681 1.00 25.30 C ATOM 1303 C LYS A 86 4.335 12.149 -3.716 1.00 62.33 C ATOM 1304 O LYS A 86 3.571 13.050 -3.373 1.00 33.22 O ATOM 1305 CB LYS A 86 3.871 10.466 -1.925 1.00 22.31 C ATOM 1306 CG LYS A 86 4.397 9.628 -0.772 1.00 74.33 C ATOM 1307 CD LYS A 86 4.091 8.153 -0.970 1.00 72.45 C ATOM 1308 CE LYS A 86 2.609 7.861 -0.786 1.00 25.23 C ATOM 1309 NZ LYS A 86 2.254 7.684 0.649 1.00 32.44 N ATOM 0 H LYS A 86 5.287 12.388 -0.968 1.00 53.53 H new ATOM 0 HA LYS A 86 5.601 10.507 -3.201 1.00 25.30 H new ATOM 0 HB2 LYS A 86 3.144 11.182 -1.541 1.00 22.31 H new ATOM 0 HB3 LYS A 86 3.341 9.817 -2.623 1.00 22.31 H new ATOM 0 HG2 LYS A 86 5.474 9.768 -0.681 1.00 74.33 H new ATOM 0 HG3 LYS A 86 3.951 9.971 0.162 1.00 74.33 H new ATOM 0 HD2 LYS A 86 4.402 7.847 -1.969 1.00 72.45 H new ATOM 0 HD3 LYS A 86 4.670 7.562 -0.261 1.00 72.45 H new ATOM 0 HE2 LYS A 86 2.023 8.678 -1.207 1.00 25.23 H new ATOM 0 HE3 LYS A 86 2.345 6.960 -1.340 1.00 25.23 H new ATOM 0 HZ1 LYS A 86 1.708 6.806 0.766 1.00 32.44 H new ATOM 0 HZ2 LYS A 86 3.123 7.630 1.217 1.00 32.44 H new ATOM 0 HZ3 LYS A 86 1.682 8.492 0.967 1.00 32.44 H new ATOM 1323 N MET A 87 4.660 11.919 -4.984 1.00 43.54 N ATOM 1324 CA MET A 87 4.123 12.732 -6.069 1.00 41.35 C ATOM 1325 C MET A 87 2.653 12.407 -6.316 1.00 64.02 C ATOM 1326 O MET A 87 1.784 13.263 -6.157 1.00 3.34 O ATOM 1327 CB MET A 87 4.929 12.508 -7.350 1.00 41.14 C ATOM 1328 CG MET A 87 4.751 13.611 -8.381 1.00 44.21 C ATOM 1329 SD MET A 87 3.822 13.067 -9.827 1.00 50.33 S ATOM 1330 CE MET A 87 5.154 12.595 -10.928 1.00 32.13 C ATOM 0 H MET A 87 5.292 11.177 -5.285 1.00 43.54 H new ATOM 0 HA MET A 87 4.201 13.779 -5.778 1.00 41.35 H new ATOM 0 HB2 MET A 87 5.986 12.427 -7.095 1.00 41.14 H new ATOM 0 HB3 MET A 87 4.634 11.557 -7.793 1.00 41.14 H new ATOM 0 HG2 MET A 87 4.237 14.454 -7.920 1.00 44.21 H new ATOM 0 HG3 MET A 87 5.731 13.969 -8.697 1.00 44.21 H new ATOM 0 HE1 MET A 87 4.738 12.236 -11.869 1.00 32.13 H new ATOM 0 HE2 MET A 87 5.791 13.458 -11.119 1.00 32.13 H new ATOM 0 HE3 MET A 87 5.744 11.803 -10.466 1.00 32.13 H new ATOM 1340 N GLU A 88 2.384 11.165 -6.706 1.00 70.12 N ATOM 1341 CA GLU A 88 1.019 10.729 -6.976 1.00 31.24 C ATOM 1342 C GLU A 88 0.109 11.025 -5.787 1.00 75.13 C ATOM 1343 O GLU A 88 -1.091 11.249 -5.950 1.00 15.32 O ATOM 1344 CB GLU A 88 0.991 9.232 -7.293 1.00 3.13 C ATOM 1345 CG GLU A 88 0.724 8.925 -8.757 1.00 23.14 C ATOM 1346 CD GLU A 88 0.136 7.543 -8.965 1.00 14.02 C ATOM 1347 OE1 GLU A 88 0.127 6.750 -8.001 1.00 24.43 O ATOM 1348 OE2 GLU A 88 -0.317 7.256 -10.093 1.00 33.43 O ATOM 0 H GLU A 88 3.092 10.444 -6.842 1.00 70.12 H new ATOM 0 HA GLU A 88 0.652 11.283 -7.840 1.00 31.24 H new ATOM 0 HB2 GLU A 88 1.945 8.790 -7.006 1.00 3.13 H new ATOM 0 HB3 GLU A 88 0.223 8.755 -6.684 1.00 3.13 H new ATOM 0 HG2 GLU A 88 0.041 9.671 -9.162 1.00 23.14 H new ATOM 0 HG3 GLU A 88 1.655 9.008 -9.317 1.00 23.14 H new ATOM 1355 N THR A 89 0.688 11.023 -4.591 1.00 13.34 N ATOM 1356 CA THR A 89 -0.070 11.290 -3.374 1.00 61.34 C ATOM 1357 C THR A 89 0.237 12.679 -2.828 1.00 44.35 C ATOM 1358 O THR A 89 1.179 12.860 -2.055 1.00 15.40 O ATOM 1359 CB THR A 89 0.232 10.244 -2.284 1.00 73.03 C ATOM 1360 OG1 THR A 89 0.495 8.971 -2.886 1.00 2.43 O ATOM 1361 CG2 THR A 89 -0.934 10.121 -1.315 1.00 73.12 C ATOM 0 H THR A 89 1.680 10.839 -4.438 1.00 13.34 H new ATOM 0 HA THR A 89 -1.125 11.233 -3.640 1.00 61.34 H new ATOM 0 HB THR A 89 1.112 10.572 -1.730 1.00 73.03 H new ATOM 0 HG1 THR A 89 0.250 8.257 -2.261 1.00 2.43 H new ATOM 0 HG21 THR A 89 -0.698 9.377 -0.554 1.00 73.12 H new ATOM 0 HG22 THR A 89 -1.113 11.084 -0.837 1.00 73.12 H new ATOM 0 HG23 THR A 89 -1.828 9.814 -1.858 1.00 73.12 H new ATOM 1369 N THR A 90 -0.563 13.660 -3.235 1.00 3.20 N ATOM 1370 CA THR A 90 -0.376 15.034 -2.787 1.00 2.32 C ATOM 1371 C THR A 90 -1.262 15.346 -1.586 1.00 43.31 C ATOM 1372 O THR A 90 -2.152 14.570 -1.241 1.00 43.24 O ATOM 1373 CB THR A 90 -0.684 16.039 -3.913 1.00 1.33 C ATOM 1374 OG1 THR A 90 -0.662 15.376 -5.181 1.00 71.43 O ATOM 1375 CG2 THR A 90 0.325 17.178 -3.913 1.00 20.21 C ATOM 0 H THR A 90 -1.347 13.528 -3.874 1.00 3.20 H new ATOM 0 HA THR A 90 0.670 15.133 -2.498 1.00 2.32 H new ATOM 0 HB THR A 90 -1.677 16.454 -3.738 1.00 1.33 H new ATOM 0 HG1 THR A 90 -0.860 16.022 -5.891 1.00 71.43 H new ATOM 0 HG21 THR A 90 0.087 17.875 -4.717 1.00 20.21 H new ATOM 0 HG22 THR A 90 0.285 17.700 -2.957 1.00 20.21 H new ATOM 0 HG23 THR A 90 1.327 16.777 -4.066 1.00 20.21 H new ATOM 1383 N ASN A 91 -1.012 16.488 -0.953 1.00 52.23 N ATOM 1384 CA ASN A 91 -1.788 16.903 0.210 1.00 73.22 C ATOM 1385 C ASN A 91 -2.116 18.391 0.143 1.00 40.44 C ATOM 1386 O ASN A 91 -1.397 19.221 0.699 1.00 63.31 O ATOM 1387 CB ASN A 91 -1.021 16.596 1.497 1.00 24.21 C ATOM 1388 CG ASN A 91 -0.887 15.106 1.749 1.00 4.41 C ATOM 1389 OD1 ASN A 91 -0.061 14.433 1.132 1.00 30.12 O ATOM 1390 ND2 ASN A 91 -1.701 14.585 2.659 1.00 23.15 N ATOM 0 H ASN A 91 -0.278 17.142 -1.226 1.00 52.23 H new ATOM 0 HA ASN A 91 -2.723 16.343 0.210 1.00 73.22 H new ATOM 0 HB2 ASN A 91 -0.028 17.043 1.441 1.00 24.21 H new ATOM 0 HB3 ASN A 91 -1.532 17.060 2.341 1.00 24.21 H new ATOM 0 HD21 ASN A 91 -1.657 13.588 2.871 1.00 23.15 H new ATOM 0 HD22 ASN A 91 -2.370 15.181 3.146 1.00 23.15 H new TER 1397 ASN A 91