USER MOD reduce.3.24.130724 H: found=0, std=0, add=571, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 569 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 ASN : amide:sc= -0.134 K(o=-0.13,f=-1.2) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 THR OG1 : rot 102:sc= 0.681 USER MOD Single : A 41 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 42 ASN : amide:sc= -0.0209 X(o=-0.021,f=-0.0026) USER MOD Single : A 43 ASN : amide:sc= -3.43! C(o=-3.4!,f=-5.3!) USER MOD Single : A 46 ASN : amide:sc= -3.9! C(o=-3.9!,f=-14!) USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 50 SER OG : rot 180:sc= 0.00864 USER MOD Single : A 53 TYR OH : rot 176:sc= -1.55 USER MOD Single : A 56 ASN : amide:sc=-0.00346 X(o=-0.0035,f=0) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc=-0.00253 X(o=-0.0025,f=-0.15) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 TYR OH : rot -53:sc= -0.53 USER MOD Single : A 63 TYR OH : rot 150:sc= 0 USER MOD Single : A 65 GLN : amide:sc=-8.75e-05 X(o=-8.8e-05,f=-0.098) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 SER OG : rot 38:sc= 0.546 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 6.584 12.502 13.418 1.00 0.00 N ATOM 2 CA GLY A 1 7.891 11.951 13.103 1.00 0.00 C ATOM 3 C GLY A 1 7.776 10.495 12.646 1.00 0.00 C ATOM 4 O GLY A 1 7.603 10.225 11.459 1.00 0.00 O ATOM 0 H1 GLY A 1 6.689 13.490 13.725 1.00 0.00 H new ATOM 0 H2 GLY A 1 5.979 12.464 12.573 1.00 0.00 H new ATOM 0 H3 GLY A 1 6.148 11.946 14.181 1.00 0.00 H new ATOM 0 HA2 GLY A 1 8.361 12.546 12.320 1.00 0.00 H new ATOM 0 HA3 GLY A 1 8.536 12.011 13.980 1.00 0.00 H new ATOM 8 N SER A 2 7.878 9.595 13.614 1.00 0.00 N ATOM 9 CA SER A 2 7.788 8.174 13.326 1.00 0.00 C ATOM 10 C SER A 2 8.869 7.774 12.320 1.00 0.00 C ATOM 11 O SER A 2 8.592 7.627 11.131 1.00 0.00 O ATOM 12 CB SER A 2 6.403 7.807 12.790 1.00 0.00 C ATOM 13 OG SER A 2 6.306 6.423 12.465 1.00 0.00 O ATOM 0 H SER A 2 8.022 9.823 14.598 1.00 0.00 H new ATOM 0 HA SER A 2 7.945 7.627 14.255 1.00 0.00 H new ATOM 0 HB2 SER A 2 5.648 8.058 13.535 1.00 0.00 H new ATOM 0 HB3 SER A 2 6.188 8.404 11.904 1.00 0.00 H new ATOM 0 HG SER A 2 5.407 6.228 12.128 1.00 0.00 H new ATOM 19 N SER A 3 10.079 7.609 12.835 1.00 0.00 N ATOM 20 CA SER A 3 11.204 7.229 11.997 1.00 0.00 C ATOM 21 C SER A 3 11.635 5.797 12.318 1.00 0.00 C ATOM 22 O SER A 3 11.338 5.282 13.395 1.00 0.00 O ATOM 23 CB SER A 3 12.378 8.192 12.182 1.00 0.00 C ATOM 24 OG SER A 3 12.590 9.003 11.030 1.00 0.00 O ATOM 0 H SER A 3 10.305 7.732 13.822 1.00 0.00 H new ATOM 0 HA SER A 3 10.888 7.281 10.955 1.00 0.00 H new ATOM 0 HB2 SER A 3 12.191 8.831 13.045 1.00 0.00 H new ATOM 0 HB3 SER A 3 13.283 7.623 12.397 1.00 0.00 H new ATOM 0 HG SER A 3 13.347 9.605 11.189 1.00 0.00 H new ATOM 30 N GLY A 4 12.329 5.194 11.364 1.00 0.00 N ATOM 31 CA GLY A 4 12.805 3.831 11.532 1.00 0.00 C ATOM 32 C GLY A 4 13.645 3.392 10.331 1.00 0.00 C ATOM 33 O GLY A 4 13.295 3.676 9.187 1.00 0.00 O ATOM 0 H GLY A 4 12.573 5.624 10.472 1.00 0.00 H new ATOM 0 HA2 GLY A 4 13.400 3.759 12.442 1.00 0.00 H new ATOM 0 HA3 GLY A 4 11.956 3.158 11.652 1.00 0.00 H new ATOM 37 N SER A 5 14.738 2.706 10.633 1.00 0.00 N ATOM 38 CA SER A 5 15.631 2.225 9.593 1.00 0.00 C ATOM 39 C SER A 5 14.836 1.453 8.538 1.00 0.00 C ATOM 40 O SER A 5 13.737 0.973 8.811 1.00 0.00 O ATOM 41 CB SER A 5 16.733 1.341 10.180 1.00 0.00 C ATOM 42 OG SER A 5 17.893 2.093 10.527 1.00 0.00 O ATOM 0 H SER A 5 15.025 2.472 11.583 1.00 0.00 H new ATOM 0 HA SER A 5 16.106 3.086 9.123 1.00 0.00 H new ATOM 0 HB2 SER A 5 16.354 0.830 11.065 1.00 0.00 H new ATOM 0 HB3 SER A 5 17.003 0.571 9.458 1.00 0.00 H new ATOM 0 HG SER A 5 18.572 1.493 10.900 1.00 0.00 H new ATOM 48 N SER A 6 15.424 1.356 7.354 1.00 0.00 N ATOM 49 CA SER A 6 14.785 0.650 6.257 1.00 0.00 C ATOM 50 C SER A 6 15.308 -0.786 6.183 1.00 0.00 C ATOM 51 O SER A 6 14.534 -1.737 6.275 1.00 0.00 O ATOM 52 CB SER A 6 15.022 1.370 4.927 1.00 0.00 C ATOM 53 OG SER A 6 13.859 1.364 4.103 1.00 0.00 O ATOM 0 H SER A 6 16.336 1.755 7.131 1.00 0.00 H new ATOM 0 HA SER A 6 13.711 0.630 6.443 1.00 0.00 H new ATOM 0 HB2 SER A 6 15.324 2.399 5.121 1.00 0.00 H new ATOM 0 HB3 SER A 6 15.845 0.891 4.397 1.00 0.00 H new ATOM 0 HG SER A 6 14.050 1.834 3.265 1.00 0.00 H new ATOM 59 N GLY A 7 16.618 -0.897 6.018 1.00 0.00 N ATOM 60 CA GLY A 7 17.253 -2.201 5.931 1.00 0.00 C ATOM 61 C GLY A 7 17.124 -2.781 4.521 1.00 0.00 C ATOM 62 O GLY A 7 17.141 -2.042 3.538 1.00 0.00 O ATOM 0 H GLY A 7 17.257 -0.105 5.942 1.00 0.00 H new ATOM 0 HA2 GLY A 7 18.306 -2.115 6.198 1.00 0.00 H new ATOM 0 HA3 GLY A 7 16.796 -2.880 6.651 1.00 0.00 H new ATOM 66 N LYS A 8 16.997 -4.099 4.467 1.00 0.00 N ATOM 67 CA LYS A 8 16.866 -4.786 3.194 1.00 0.00 C ATOM 68 C LYS A 8 15.390 -5.102 2.940 1.00 0.00 C ATOM 69 O LYS A 8 14.726 -5.700 3.785 1.00 0.00 O ATOM 70 CB LYS A 8 17.774 -6.017 3.153 1.00 0.00 C ATOM 71 CG LYS A 8 18.834 -5.879 2.058 1.00 0.00 C ATOM 72 CD LYS A 8 19.261 -7.251 1.532 1.00 0.00 C ATOM 73 CE LYS A 8 19.264 -7.275 0.002 1.00 0.00 C ATOM 74 NZ LYS A 8 18.379 -8.348 -0.502 1.00 0.00 N ATOM 0 H LYS A 8 16.982 -4.709 5.284 1.00 0.00 H new ATOM 0 HA LYS A 8 17.201 -4.145 2.379 1.00 0.00 H new ATOM 0 HB2 LYS A 8 18.260 -6.148 4.120 1.00 0.00 H new ATOM 0 HB3 LYS A 8 17.175 -6.910 2.974 1.00 0.00 H new ATOM 0 HG2 LYS A 8 18.439 -5.278 1.239 1.00 0.00 H new ATOM 0 HG3 LYS A 8 19.702 -5.350 2.452 1.00 0.00 H new ATOM 0 HD2 LYS A 8 20.256 -7.494 1.905 1.00 0.00 H new ATOM 0 HD3 LYS A 8 18.583 -8.016 1.910 1.00 0.00 H new ATOM 0 HE2 LYS A 8 18.932 -6.311 -0.383 1.00 0.00 H new ATOM 0 HE3 LYS A 8 20.279 -7.432 -0.363 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 18.393 -8.350 -1.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 18.713 -9.268 -0.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 17.408 -8.182 -0.169 1.00 0.00 H new ATOM 88 N VAL A 9 14.921 -4.686 1.773 1.00 0.00 N ATOM 89 CA VAL A 9 13.537 -4.917 1.398 1.00 0.00 C ATOM 90 C VAL A 9 13.491 -5.602 0.030 1.00 0.00 C ATOM 91 O VAL A 9 14.080 -5.113 -0.933 1.00 0.00 O ATOM 92 CB VAL A 9 12.758 -3.601 1.433 1.00 0.00 C ATOM 93 CG1 VAL A 9 11.324 -3.799 0.938 1.00 0.00 C ATOM 94 CG2 VAL A 9 12.775 -2.992 2.836 1.00 0.00 C ATOM 0 H VAL A 9 15.475 -4.190 1.075 1.00 0.00 H new ATOM 0 HA VAL A 9 13.055 -5.584 2.113 1.00 0.00 H new ATOM 0 HB VAL A 9 13.251 -2.901 0.758 1.00 0.00 H new ATOM 0 HG11 VAL A 9 10.792 -2.848 0.973 1.00 0.00 H new ATOM 0 HG12 VAL A 9 11.341 -4.168 -0.088 1.00 0.00 H new ATOM 0 HG13 VAL A 9 10.816 -4.523 1.575 1.00 0.00 H new ATOM 0 HG21 VAL A 9 12.214 -2.057 2.834 1.00 0.00 H new ATOM 0 HG22 VAL A 9 12.318 -3.687 3.540 1.00 0.00 H new ATOM 0 HG23 VAL A 9 13.805 -2.797 3.135 1.00 0.00 H new ATOM 104 N SER A 10 12.786 -6.723 -0.012 1.00 0.00 N ATOM 105 CA SER A 10 12.656 -7.480 -1.245 1.00 0.00 C ATOM 106 C SER A 10 11.180 -7.611 -1.625 1.00 0.00 C ATOM 107 O SER A 10 10.299 -7.406 -0.791 1.00 0.00 O ATOM 108 CB SER A 10 13.295 -8.864 -1.112 1.00 0.00 C ATOM 109 OG SER A 10 13.589 -9.188 0.244 1.00 0.00 O ATOM 0 H SER A 10 12.299 -7.125 0.789 1.00 0.00 H new ATOM 0 HA SER A 10 13.181 -6.942 -2.034 1.00 0.00 H new ATOM 0 HB2 SER A 10 12.623 -9.615 -1.527 1.00 0.00 H new ATOM 0 HB3 SER A 10 14.212 -8.898 -1.700 1.00 0.00 H new ATOM 0 HG SER A 10 13.994 -10.079 0.287 1.00 0.00 H new ATOM 115 N PRO A 11 10.948 -7.961 -2.919 1.00 0.00 N ATOM 116 CA PRO A 11 9.594 -8.122 -3.420 1.00 0.00 C ATOM 117 C PRO A 11 8.976 -9.429 -2.919 1.00 0.00 C ATOM 118 O PRO A 11 9.692 -10.379 -2.607 1.00 0.00 O ATOM 119 CB PRO A 11 9.725 -8.069 -4.933 1.00 0.00 C ATOM 120 CG PRO A 11 11.189 -8.346 -5.235 1.00 0.00 C ATOM 121 CD PRO A 11 11.966 -8.212 -3.935 1.00 0.00 C ATOM 0 HA PRO A 11 8.919 -7.343 -3.065 1.00 0.00 H new ATOM 0 HB2 PRO A 11 9.082 -8.810 -5.407 1.00 0.00 H new ATOM 0 HB3 PRO A 11 9.425 -7.094 -5.317 1.00 0.00 H new ATOM 0 HG2 PRO A 11 11.310 -9.346 -5.651 1.00 0.00 H new ATOM 0 HG3 PRO A 11 11.565 -7.643 -5.979 1.00 0.00 H new ATOM 0 HD2 PRO A 11 12.530 -9.119 -3.715 1.00 0.00 H new ATOM 0 HD3 PRO A 11 12.685 -7.394 -3.986 1.00 0.00 H new ATOM 129 N PRO A 12 7.617 -9.436 -2.858 1.00 0.00 N ATOM 130 CA PRO A 12 6.895 -10.611 -2.400 1.00 0.00 C ATOM 131 C PRO A 12 6.886 -11.701 -3.473 1.00 0.00 C ATOM 132 O PRO A 12 7.233 -11.446 -4.625 1.00 0.00 O ATOM 133 CB PRO A 12 5.503 -10.107 -2.054 1.00 0.00 C ATOM 134 CG PRO A 12 5.355 -8.771 -2.764 1.00 0.00 C ATOM 135 CD PRO A 12 6.736 -8.330 -3.220 1.00 0.00 C ATOM 0 HA PRO A 12 7.361 -11.080 -1.534 1.00 0.00 H new ATOM 0 HB2 PRO A 12 4.739 -10.811 -2.384 1.00 0.00 H new ATOM 0 HB3 PRO A 12 5.386 -9.992 -0.976 1.00 0.00 H new ATOM 0 HG2 PRO A 12 4.683 -8.865 -3.617 1.00 0.00 H new ATOM 0 HG3 PRO A 12 4.919 -8.029 -2.095 1.00 0.00 H new ATOM 0 HD2 PRO A 12 6.757 -8.142 -4.293 1.00 0.00 H new ATOM 0 HD3 PRO A 12 7.039 -7.405 -2.728 1.00 0.00 H new ATOM 143 N GLU A 13 6.484 -12.893 -3.057 1.00 0.00 N ATOM 144 CA GLU A 13 6.426 -14.023 -3.968 1.00 0.00 C ATOM 145 C GLU A 13 5.078 -14.052 -4.693 1.00 0.00 C ATOM 146 O GLU A 13 5.030 -14.133 -5.919 1.00 0.00 O ATOM 147 CB GLU A 13 6.678 -15.338 -3.228 1.00 0.00 C ATOM 148 CG GLU A 13 8.093 -15.378 -2.648 1.00 0.00 C ATOM 149 CD GLU A 13 8.063 -15.706 -1.153 1.00 0.00 C ATOM 150 OE1 GLU A 13 7.344 -14.985 -0.428 1.00 0.00 O ATOM 151 OE2 GLU A 13 8.761 -16.670 -0.770 1.00 0.00 O ATOM 0 H GLU A 13 6.195 -13.101 -2.101 1.00 0.00 H new ATOM 0 HA GLU A 13 7.214 -13.906 -4.711 1.00 0.00 H new ATOM 0 HB2 GLU A 13 5.949 -15.454 -2.426 1.00 0.00 H new ATOM 0 HB3 GLU A 13 6.537 -16.176 -3.910 1.00 0.00 H new ATOM 0 HG2 GLU A 13 8.686 -16.125 -3.176 1.00 0.00 H new ATOM 0 HG3 GLU A 13 8.581 -14.416 -2.803 1.00 0.00 H new ATOM 158 N ASP A 14 4.016 -13.983 -3.903 1.00 0.00 N ATOM 159 CA ASP A 14 2.672 -13.999 -4.454 1.00 0.00 C ATOM 160 C ASP A 14 2.551 -12.914 -5.526 1.00 0.00 C ATOM 161 O ASP A 14 2.526 -11.725 -5.210 1.00 0.00 O ATOM 162 CB ASP A 14 1.630 -13.713 -3.371 1.00 0.00 C ATOM 163 CG ASP A 14 1.039 -14.953 -2.697 1.00 0.00 C ATOM 164 OD1 ASP A 14 1.736 -15.991 -2.709 1.00 0.00 O ATOM 165 OD2 ASP A 14 -0.095 -14.836 -2.186 1.00 0.00 O ATOM 0 H ASP A 14 4.060 -13.916 -2.886 1.00 0.00 H new ATOM 0 HA ASP A 14 2.492 -14.988 -4.875 1.00 0.00 H new ATOM 0 HB2 ASP A 14 2.087 -13.085 -2.606 1.00 0.00 H new ATOM 0 HB3 ASP A 14 0.817 -13.137 -3.813 1.00 0.00 H new ATOM 170 N GLU A 15 2.479 -13.362 -6.770 1.00 0.00 N ATOM 171 CA GLU A 15 2.361 -12.444 -7.890 1.00 0.00 C ATOM 172 C GLU A 15 1.110 -11.577 -7.737 1.00 0.00 C ATOM 173 O GLU A 15 1.183 -10.353 -7.827 1.00 0.00 O ATOM 174 CB GLU A 15 2.346 -13.200 -9.220 1.00 0.00 C ATOM 175 CG GLU A 15 2.359 -12.230 -10.403 1.00 0.00 C ATOM 176 CD GLU A 15 1.568 -12.795 -11.585 1.00 0.00 C ATOM 177 OE1 GLU A 15 1.650 -14.026 -11.786 1.00 0.00 O ATOM 178 OE2 GLU A 15 0.898 -11.983 -12.260 1.00 0.00 O ATOM 0 H GLU A 15 2.500 -14.349 -7.028 1.00 0.00 H new ATOM 0 HA GLU A 15 3.233 -11.790 -7.892 1.00 0.00 H new ATOM 0 HB2 GLU A 15 3.212 -13.860 -9.277 1.00 0.00 H new ATOM 0 HB3 GLU A 15 1.459 -13.832 -9.273 1.00 0.00 H new ATOM 0 HG2 GLU A 15 1.932 -11.274 -10.099 1.00 0.00 H new ATOM 0 HG3 GLU A 15 3.387 -12.037 -10.708 1.00 0.00 H new ATOM 185 N GLU A 16 -0.011 -12.247 -7.509 1.00 0.00 N ATOM 186 CA GLU A 16 -1.277 -11.554 -7.343 1.00 0.00 C ATOM 187 C GLU A 16 -1.104 -10.347 -6.419 1.00 0.00 C ATOM 188 O GLU A 16 -1.793 -9.340 -6.571 1.00 0.00 O ATOM 189 CB GLU A 16 -2.355 -12.501 -6.812 1.00 0.00 C ATOM 190 CG GLU A 16 -3.110 -13.172 -7.961 1.00 0.00 C ATOM 191 CD GLU A 16 -4.622 -13.096 -7.742 1.00 0.00 C ATOM 192 OE1 GLU A 16 -5.145 -14.011 -7.069 1.00 0.00 O ATOM 193 OE2 GLU A 16 -5.222 -12.125 -8.251 1.00 0.00 O ATOM 0 H GLU A 16 -0.068 -13.263 -7.435 1.00 0.00 H new ATOM 0 HA GLU A 16 -1.604 -11.196 -8.319 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -1.897 -13.262 -6.180 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -3.055 -11.947 -6.187 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -2.851 -12.688 -8.903 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -2.803 -14.215 -8.043 1.00 0.00 H new ATOM 200 N ALA A 17 -0.179 -10.488 -5.481 1.00 0.00 N ATOM 201 CA ALA A 17 0.094 -9.422 -4.532 1.00 0.00 C ATOM 202 C ALA A 17 0.923 -8.335 -5.218 1.00 0.00 C ATOM 203 O ALA A 17 0.517 -7.174 -5.263 1.00 0.00 O ATOM 204 CB ALA A 17 0.795 -10.000 -3.301 1.00 0.00 C ATOM 0 H ALA A 17 0.391 -11.325 -5.358 1.00 0.00 H new ATOM 0 HA ALA A 17 -0.835 -8.964 -4.192 1.00 0.00 H new ATOM 0 HB1 ALA A 17 1.000 -9.200 -2.590 1.00 0.00 H new ATOM 0 HB2 ALA A 17 0.153 -10.746 -2.833 1.00 0.00 H new ATOM 0 HB3 ALA A 17 1.733 -10.466 -3.602 1.00 0.00 H new ATOM 210 N LYS A 18 2.071 -8.748 -5.735 1.00 0.00 N ATOM 211 CA LYS A 18 2.961 -7.824 -6.417 1.00 0.00 C ATOM 212 C LYS A 18 2.137 -6.892 -7.308 1.00 0.00 C ATOM 213 O LYS A 18 2.533 -5.755 -7.558 1.00 0.00 O ATOM 214 CB LYS A 18 4.052 -8.587 -7.170 1.00 0.00 C ATOM 215 CG LYS A 18 5.442 -8.064 -6.800 1.00 0.00 C ATOM 216 CD LYS A 18 6.509 -9.138 -7.023 1.00 0.00 C ATOM 217 CE LYS A 18 7.298 -8.868 -8.305 1.00 0.00 C ATOM 218 NZ LYS A 18 8.254 -9.968 -8.567 1.00 0.00 N ATOM 0 H LYS A 18 2.405 -9.711 -5.695 1.00 0.00 H new ATOM 0 HA LYS A 18 3.483 -7.197 -5.695 1.00 0.00 H new ATOM 0 HB2 LYS A 18 3.985 -9.650 -6.936 1.00 0.00 H new ATOM 0 HB3 LYS A 18 3.896 -8.487 -8.244 1.00 0.00 H new ATOM 0 HG2 LYS A 18 5.675 -7.184 -7.400 1.00 0.00 H new ATOM 0 HG3 LYS A 18 5.450 -7.749 -5.756 1.00 0.00 H new ATOM 0 HD2 LYS A 18 7.189 -9.163 -6.171 1.00 0.00 H new ATOM 0 HD3 LYS A 18 6.037 -10.119 -7.082 1.00 0.00 H new ATOM 0 HE2 LYS A 18 6.612 -8.766 -9.146 1.00 0.00 H new ATOM 0 HE3 LYS A 18 7.836 -7.924 -8.216 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 8.781 -9.769 -9.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 8.919 -10.047 -7.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 7.734 -10.862 -8.673 1.00 0.00 H new ATOM 232 N ASN A 19 1.004 -7.408 -7.762 1.00 0.00 N ATOM 233 CA ASN A 19 0.121 -6.637 -8.619 1.00 0.00 C ATOM 234 C ASN A 19 -0.864 -5.849 -7.753 1.00 0.00 C ATOM 235 O ASN A 19 -1.023 -4.642 -7.929 1.00 0.00 O ATOM 236 CB ASN A 19 -0.688 -7.551 -9.542 1.00 0.00 C ATOM 237 CG ASN A 19 -0.775 -6.967 -10.954 1.00 0.00 C ATOM 238 OD1 ASN A 19 -0.562 -5.787 -11.179 1.00 0.00 O ATOM 239 ND2 ASN A 19 -1.098 -7.856 -11.888 1.00 0.00 N ATOM 0 H ASN A 19 0.678 -8.351 -7.552 1.00 0.00 H new ATOM 0 HA ASN A 19 0.736 -5.969 -9.222 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -0.225 -8.537 -9.580 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -1.691 -7.686 -9.138 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -1.181 -7.565 -12.862 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -1.263 -8.829 -11.631 1.00 0.00 H new ATOM 246 N LEU A 20 -1.499 -6.564 -6.836 1.00 0.00 N ATOM 247 CA LEU A 20 -2.463 -5.947 -5.941 1.00 0.00 C ATOM 248 C LEU A 20 -1.799 -4.780 -5.208 1.00 0.00 C ATOM 249 O LEU A 20 -2.298 -3.657 -5.240 1.00 0.00 O ATOM 250 CB LEU A 20 -3.073 -6.994 -5.007 1.00 0.00 C ATOM 251 CG LEU A 20 -4.243 -7.799 -5.574 1.00 0.00 C ATOM 252 CD1 LEU A 20 -4.906 -8.645 -4.486 1.00 0.00 C ATOM 253 CD2 LEU A 20 -5.247 -6.885 -6.281 1.00 0.00 C ATOM 0 H LEU A 20 -1.365 -7.565 -6.694 1.00 0.00 H new ATOM 0 HA LEU A 20 -3.298 -5.534 -6.507 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -2.288 -7.690 -4.712 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -3.410 -6.491 -4.100 1.00 0.00 H new ATOM 0 HG LEU A 20 -3.852 -8.488 -6.323 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -5.735 -9.207 -4.917 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -4.176 -9.338 -4.068 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -5.281 -7.994 -3.697 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -6.069 -7.483 -6.675 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -5.637 -6.155 -5.572 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -4.751 -6.365 -7.101 1.00 0.00 H new ATOM 265 N ALA A 21 -0.682 -5.087 -4.563 1.00 0.00 N ATOM 266 CA ALA A 21 0.056 -4.078 -3.823 1.00 0.00 C ATOM 267 C ALA A 21 0.226 -2.833 -4.696 1.00 0.00 C ATOM 268 O ALA A 21 -0.280 -1.763 -4.363 1.00 0.00 O ATOM 269 CB ALA A 21 1.397 -4.658 -3.367 1.00 0.00 C ATOM 0 H ALA A 21 -0.271 -6.020 -4.538 1.00 0.00 H new ATOM 0 HA ALA A 21 -0.492 -3.781 -2.929 1.00 0.00 H new ATOM 0 HB1 ALA A 21 1.951 -3.901 -2.812 1.00 0.00 H new ATOM 0 HB2 ALA A 21 1.221 -5.522 -2.726 1.00 0.00 H new ATOM 0 HB3 ALA A 21 1.976 -4.965 -4.238 1.00 0.00 H new ATOM 275 N GLU A 22 0.939 -3.015 -5.798 1.00 0.00 N ATOM 276 CA GLU A 22 1.182 -1.920 -6.722 1.00 0.00 C ATOM 277 C GLU A 22 -0.124 -1.181 -7.024 1.00 0.00 C ATOM 278 O GLU A 22 -0.282 -0.018 -6.657 1.00 0.00 O ATOM 279 CB GLU A 22 1.837 -2.424 -8.009 1.00 0.00 C ATOM 280 CG GLU A 22 3.062 -1.580 -8.367 1.00 0.00 C ATOM 281 CD GLU A 22 3.088 -1.257 -9.863 1.00 0.00 C ATOM 282 OE1 GLU A 22 2.444 -2.016 -10.618 1.00 0.00 O ATOM 283 OE2 GLU A 22 3.750 -0.258 -10.216 1.00 0.00 O ATOM 0 H GLU A 22 1.356 -3.905 -6.072 1.00 0.00 H new ATOM 0 HA GLU A 22 1.873 -1.220 -6.252 1.00 0.00 H new ATOM 0 HB2 GLU A 22 2.132 -3.466 -7.887 1.00 0.00 H new ATOM 0 HB3 GLU A 22 1.116 -2.390 -8.826 1.00 0.00 H new ATOM 0 HG2 GLU A 22 3.051 -0.654 -7.792 1.00 0.00 H new ATOM 0 HG3 GLU A 22 3.970 -2.116 -8.091 1.00 0.00 H new ATOM 290 N LYS A 23 -1.026 -1.888 -7.690 1.00 0.00 N ATOM 291 CA LYS A 23 -2.312 -1.313 -8.045 1.00 0.00 C ATOM 292 C LYS A 23 -2.831 -0.473 -6.877 1.00 0.00 C ATOM 293 O LYS A 23 -3.022 0.735 -7.013 1.00 0.00 O ATOM 294 CB LYS A 23 -3.282 -2.408 -8.493 1.00 0.00 C ATOM 295 CG LYS A 23 -3.366 -2.475 -10.020 1.00 0.00 C ATOM 296 CD LYS A 23 -4.695 -3.087 -10.469 1.00 0.00 C ATOM 297 CE LYS A 23 -4.472 -4.434 -11.160 1.00 0.00 C ATOM 298 NZ LYS A 23 -5.597 -4.741 -12.071 1.00 0.00 N ATOM 0 H LYS A 23 -0.891 -2.853 -7.993 1.00 0.00 H new ATOM 0 HA LYS A 23 -2.207 -0.642 -8.898 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -2.955 -3.371 -8.101 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -4.271 -2.214 -8.079 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -3.263 -1.474 -10.438 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -2.538 -3.069 -10.408 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -5.348 -3.220 -9.607 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -5.202 -2.404 -11.150 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -3.538 -4.411 -11.721 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -4.376 -5.222 -10.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -5.430 -5.658 -12.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -6.483 -4.783 -11.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -5.670 -3.998 -12.795 1.00 0.00 H new ATOM 312 N LEU A 24 -3.045 -1.145 -5.755 1.00 0.00 N ATOM 313 CA LEU A 24 -3.537 -0.474 -4.564 1.00 0.00 C ATOM 314 C LEU A 24 -2.845 0.883 -4.424 1.00 0.00 C ATOM 315 O LEU A 24 -3.495 1.925 -4.487 1.00 0.00 O ATOM 316 CB LEU A 24 -3.378 -1.375 -3.337 1.00 0.00 C ATOM 317 CG LEU A 24 -4.558 -1.398 -2.364 1.00 0.00 C ATOM 318 CD1 LEU A 24 -4.663 -0.077 -1.599 1.00 0.00 C ATOM 319 CD2 LEU A 24 -5.860 -1.746 -3.088 1.00 0.00 C ATOM 0 H LEU A 24 -2.887 -2.147 -5.646 1.00 0.00 H new ATOM 0 HA LEU A 24 -4.606 -0.279 -4.652 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -3.196 -2.393 -3.680 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -2.489 -1.059 -2.791 1.00 0.00 H new ATOM 0 HG LEU A 24 -4.379 -2.183 -1.629 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -5.510 -0.120 -0.914 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -3.746 0.089 -1.033 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -4.808 0.741 -2.304 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -6.683 -1.755 -2.373 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -6.058 -1.001 -3.859 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -5.768 -2.730 -3.549 1.00 0.00 H new ATOM 331 N ALA A 25 -1.535 0.826 -4.236 1.00 0.00 N ATOM 332 CA ALA A 25 -0.747 2.038 -4.086 1.00 0.00 C ATOM 333 C ALA A 25 -1.012 2.963 -5.276 1.00 0.00 C ATOM 334 O ALA A 25 -1.366 4.127 -5.095 1.00 0.00 O ATOM 335 CB ALA A 25 0.732 1.672 -3.950 1.00 0.00 C ATOM 0 H ALA A 25 -0.999 -0.040 -4.184 1.00 0.00 H new ATOM 0 HA ALA A 25 -1.034 2.574 -3.181 1.00 0.00 H new ATOM 0 HB1 ALA A 25 1.323 2.581 -3.838 1.00 0.00 H new ATOM 0 HB2 ALA A 25 0.871 1.038 -3.074 1.00 0.00 H new ATOM 0 HB3 ALA A 25 1.058 1.136 -4.841 1.00 0.00 H new ATOM 341 N ARG A 26 -0.830 2.410 -6.466 1.00 0.00 N ATOM 342 CA ARG A 26 -1.045 3.171 -7.685 1.00 0.00 C ATOM 343 C ARG A 26 -2.369 3.933 -7.609 1.00 0.00 C ATOM 344 O ARG A 26 -2.443 5.098 -7.998 1.00 0.00 O ATOM 345 CB ARG A 26 -1.061 2.255 -8.911 1.00 0.00 C ATOM 346 CG ARG A 26 0.011 2.671 -9.920 1.00 0.00 C ATOM 347 CD ARG A 26 0.942 1.501 -10.244 1.00 0.00 C ATOM 348 NE ARG A 26 1.568 1.704 -11.570 1.00 0.00 N ATOM 349 CZ ARG A 26 0.924 1.553 -12.736 1.00 0.00 C ATOM 350 NH1 ARG A 26 -0.367 1.196 -12.747 1.00 0.00 N ATOM 351 NH2 ARG A 26 1.572 1.759 -13.890 1.00 0.00 N ATOM 0 H ARG A 26 -0.536 1.444 -6.612 1.00 0.00 H new ATOM 0 HA ARG A 26 -0.221 3.877 -7.784 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -0.893 1.224 -8.601 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -2.043 2.290 -9.383 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -0.464 3.027 -10.834 1.00 0.00 H new ATOM 0 HG3 ARG A 26 0.591 3.502 -9.518 1.00 0.00 H new ATOM 0 HD2 ARG A 26 1.713 1.416 -9.478 1.00 0.00 H new ATOM 0 HD3 ARG A 26 0.381 0.566 -10.237 1.00 0.00 H new ATOM 0 HE ARG A 26 2.551 1.976 -11.598 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -0.860 1.039 -11.868 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -0.857 1.081 -13.634 1.00 0.00 H new ATOM 0 HH21 ARG A 26 2.555 2.031 -13.881 1.00 0.00 H new ATOM 0 HH22 ARG A 26 1.082 1.644 -14.777 1.00 0.00 H new ATOM 365 N PHE A 27 -3.383 3.244 -7.106 1.00 0.00 N ATOM 366 CA PHE A 27 -4.701 3.841 -6.974 1.00 0.00 C ATOM 367 C PHE A 27 -4.727 4.868 -5.840 1.00 0.00 C ATOM 368 O PHE A 27 -4.826 6.069 -6.087 1.00 0.00 O ATOM 369 CB PHE A 27 -5.675 2.708 -6.643 1.00 0.00 C ATOM 370 CG PHE A 27 -7.002 3.182 -6.048 1.00 0.00 C ATOM 371 CD1 PHE A 27 -7.725 4.146 -6.679 1.00 0.00 C ATOM 372 CD2 PHE A 27 -7.459 2.640 -4.887 1.00 0.00 C ATOM 373 CE1 PHE A 27 -8.957 4.586 -6.126 1.00 0.00 C ATOM 374 CE2 PHE A 27 -8.691 3.079 -4.335 1.00 0.00 C ATOM 375 CZ PHE A 27 -9.414 4.043 -4.966 1.00 0.00 C ATOM 0 H PHE A 27 -3.318 2.278 -6.785 1.00 0.00 H new ATOM 0 HA PHE A 27 -4.971 4.353 -7.898 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -5.878 2.140 -7.551 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -5.197 2.025 -5.941 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -7.362 4.577 -7.601 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -6.884 1.876 -4.385 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -9.531 5.352 -6.627 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -9.054 2.648 -3.414 1.00 0.00 H new ATOM 0 HZ PHE A 27 -10.351 4.377 -4.546 1.00 0.00 H new ATOM 385 N ILE A 28 -4.637 4.357 -4.620 1.00 0.00 N ATOM 386 CA ILE A 28 -4.648 5.215 -3.447 1.00 0.00 C ATOM 387 C ILE A 28 -3.736 6.418 -3.692 1.00 0.00 C ATOM 388 O ILE A 28 -4.038 7.529 -3.257 1.00 0.00 O ATOM 389 CB ILE A 28 -4.287 4.414 -2.195 1.00 0.00 C ATOM 390 CG1 ILE A 28 -5.404 3.433 -1.830 1.00 0.00 C ATOM 391 CG2 ILE A 28 -3.939 5.344 -1.031 1.00 0.00 C ATOM 392 CD1 ILE A 28 -5.021 2.595 -0.609 1.00 0.00 C ATOM 0 H ILE A 28 -4.556 3.360 -4.419 1.00 0.00 H new ATOM 0 HA ILE A 28 -5.650 5.606 -3.270 1.00 0.00 H new ATOM 0 HB ILE A 28 -3.398 3.823 -2.413 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -6.323 3.983 -1.625 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -5.608 2.777 -2.676 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -3.686 4.749 -0.153 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -3.087 5.967 -1.305 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -4.795 5.979 -0.804 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -5.832 1.907 -0.371 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -4.116 2.028 -0.826 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -4.842 3.252 0.242 1.00 0.00 H new ATOM 404 N ALA A 29 -2.639 6.157 -4.386 1.00 0.00 N ATOM 405 CA ALA A 29 -1.681 7.206 -4.694 1.00 0.00 C ATOM 406 C ALA A 29 -2.388 8.330 -5.453 1.00 0.00 C ATOM 407 O ALA A 29 -2.192 9.507 -5.150 1.00 0.00 O ATOM 408 CB ALA A 29 -0.512 6.614 -5.484 1.00 0.00 C ATOM 0 H ALA A 29 -2.391 5.235 -4.744 1.00 0.00 H new ATOM 0 HA ALA A 29 -1.272 7.633 -3.778 1.00 0.00 H new ATOM 0 HB1 ALA A 29 0.206 7.401 -5.715 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -0.025 5.841 -4.889 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -0.883 6.178 -6.411 1.00 0.00 H new ATOM 414 N ASP A 30 -3.194 7.929 -6.424 1.00 0.00 N ATOM 415 CA ASP A 30 -3.931 8.889 -7.229 1.00 0.00 C ATOM 416 C ASP A 30 -4.902 9.660 -6.333 1.00 0.00 C ATOM 417 O ASP A 30 -5.445 10.687 -6.739 1.00 0.00 O ATOM 418 CB ASP A 30 -4.748 8.185 -8.314 1.00 0.00 C ATOM 419 CG ASP A 30 -4.003 7.942 -9.629 1.00 0.00 C ATOM 420 OD1 ASP A 30 -3.435 8.926 -10.149 1.00 0.00 O ATOM 421 OD2 ASP A 30 -4.019 6.778 -10.083 1.00 0.00 O ATOM 0 H ASP A 30 -3.353 6.953 -6.672 1.00 0.00 H new ATOM 0 HA ASP A 30 -3.211 9.560 -7.697 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -5.090 7.226 -7.925 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -5.637 8.780 -8.522 1.00 0.00 H new ATOM 426 N GLY A 31 -5.091 9.137 -5.131 1.00 0.00 N ATOM 427 CA GLY A 31 -5.987 9.764 -4.174 1.00 0.00 C ATOM 428 C GLY A 31 -5.200 10.486 -3.078 1.00 0.00 C ATOM 429 O GLY A 31 -4.412 11.386 -3.365 1.00 0.00 O ATOM 0 H GLY A 31 -4.639 8.286 -4.797 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -6.636 10.473 -4.688 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -6.633 9.009 -3.726 1.00 0.00 H new ATOM 433 N GLY A 32 -5.441 10.065 -1.845 1.00 0.00 N ATOM 434 CA GLY A 32 -4.765 10.660 -0.705 1.00 0.00 C ATOM 435 C GLY A 32 -5.267 10.056 0.607 1.00 0.00 C ATOM 436 O GLY A 32 -5.456 8.844 0.705 1.00 0.00 O ATOM 0 H GLY A 32 -6.095 9.319 -1.611 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -3.690 10.504 -0.793 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -4.931 11.737 -0.701 1.00 0.00 H new ATOM 440 N PRO A 33 -5.475 10.950 1.610 1.00 0.00 N ATOM 441 CA PRO A 33 -5.951 10.518 2.913 1.00 0.00 C ATOM 442 C PRO A 33 -7.442 10.174 2.865 1.00 0.00 C ATOM 443 O PRO A 33 -8.001 9.683 3.844 1.00 0.00 O ATOM 444 CB PRO A 33 -5.638 11.673 3.850 1.00 0.00 C ATOM 445 CG PRO A 33 -5.424 12.886 2.960 1.00 0.00 C ATOM 446 CD PRO A 33 -5.262 12.393 1.531 1.00 0.00 C ATOM 0 HA PRO A 33 -5.467 9.603 3.255 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -6.457 11.841 4.549 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -4.749 11.463 4.445 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -6.271 13.568 3.035 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -4.540 13.440 3.275 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -5.985 12.864 0.865 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -4.271 12.626 1.142 1.00 0.00 H new ATOM 454 N GLU A 34 -8.042 10.445 1.715 1.00 0.00 N ATOM 455 CA GLU A 34 -9.456 10.171 1.527 1.00 0.00 C ATOM 456 C GLU A 34 -9.654 8.759 0.971 1.00 0.00 C ATOM 457 O GLU A 34 -10.439 7.981 1.508 1.00 0.00 O ATOM 458 CB GLU A 34 -10.101 11.215 0.613 1.00 0.00 C ATOM 459 CG GLU A 34 -11.525 11.538 1.068 1.00 0.00 C ATOM 460 CD GLU A 34 -11.789 13.045 1.020 1.00 0.00 C ATOM 461 OE1 GLU A 34 -11.360 13.664 0.022 1.00 0.00 O ATOM 462 OE2 GLU A 34 -12.412 13.543 1.981 1.00 0.00 O ATOM 0 H GLU A 34 -7.575 10.851 0.905 1.00 0.00 H new ATOM 0 HA GLU A 34 -9.949 10.231 2.497 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -9.500 12.125 0.613 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -10.118 10.845 -0.412 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -12.241 11.020 0.430 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -11.678 11.171 2.083 1.00 0.00 H new ATOM 469 N VAL A 35 -8.927 8.473 -0.100 1.00 0.00 N ATOM 470 CA VAL A 35 -9.012 7.169 -0.735 1.00 0.00 C ATOM 471 C VAL A 35 -8.588 6.091 0.265 1.00 0.00 C ATOM 472 O VAL A 35 -9.180 5.013 0.310 1.00 0.00 O ATOM 473 CB VAL A 35 -8.178 7.156 -2.018 1.00 0.00 C ATOM 474 CG1 VAL A 35 -6.688 7.018 -1.701 1.00 0.00 C ATOM 475 CG2 VAL A 35 -8.644 6.046 -2.963 1.00 0.00 C ATOM 0 H VAL A 35 -8.277 9.122 -0.543 1.00 0.00 H new ATOM 0 HA VAL A 35 -10.039 6.954 -1.029 1.00 0.00 H new ATOM 0 HB VAL A 35 -8.325 8.110 -2.524 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -6.118 7.011 -2.630 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -6.368 7.858 -1.085 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -6.515 6.086 -1.162 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -8.035 6.058 -3.867 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -8.540 5.080 -2.469 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -9.689 6.208 -3.227 1.00 0.00 H new ATOM 485 N GLU A 36 -7.566 6.418 1.042 1.00 0.00 N ATOM 486 CA GLU A 36 -7.056 5.492 2.038 1.00 0.00 C ATOM 487 C GLU A 36 -8.152 5.138 3.045 1.00 0.00 C ATOM 488 O GLU A 36 -8.014 4.185 3.810 1.00 0.00 O ATOM 489 CB GLU A 36 -5.827 6.068 2.744 1.00 0.00 C ATOM 490 CG GLU A 36 -6.234 6.891 3.968 1.00 0.00 C ATOM 491 CD GLU A 36 -5.006 7.479 4.666 1.00 0.00 C ATOM 492 OE1 GLU A 36 -4.124 7.980 3.936 1.00 0.00 O ATOM 493 OE2 GLU A 36 -4.978 7.413 5.914 1.00 0.00 O ATOM 0 H GLU A 36 -7.077 7.312 1.002 1.00 0.00 H new ATOM 0 HA GLU A 36 -6.747 4.578 1.531 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -5.166 5.257 3.050 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -5.265 6.694 2.051 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -6.904 7.695 3.664 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -6.787 6.262 4.666 1.00 0.00 H new ATOM 500 N THR A 37 -9.217 5.926 3.012 1.00 0.00 N ATOM 501 CA THR A 37 -10.337 5.708 3.913 1.00 0.00 C ATOM 502 C THR A 37 -11.387 4.813 3.252 1.00 0.00 C ATOM 503 O THR A 37 -11.726 3.754 3.779 1.00 0.00 O ATOM 504 CB THR A 37 -10.881 7.076 4.330 1.00 0.00 C ATOM 505 OG1 THR A 37 -9.750 7.745 4.883 1.00 0.00 O ATOM 506 CG2 THR A 37 -11.866 6.983 5.497 1.00 0.00 C ATOM 0 H THR A 37 -9.328 6.716 2.376 1.00 0.00 H new ATOM 0 HA THR A 37 -10.024 5.178 4.813 1.00 0.00 H new ATOM 0 HB THR A 37 -11.371 7.547 3.478 1.00 0.00 H new ATOM 0 HG1 THR A 37 -9.389 8.376 4.226 1.00 0.00 H new ATOM 0 HG21 THR A 37 -12.222 7.981 5.753 1.00 0.00 H new ATOM 0 HG22 THR A 37 -12.712 6.359 5.210 1.00 0.00 H new ATOM 0 HG23 THR A 37 -11.367 6.543 6.360 1.00 0.00 H new ATOM 514 N ILE A 38 -11.872 5.270 2.107 1.00 0.00 N ATOM 515 CA ILE A 38 -12.877 4.524 1.369 1.00 0.00 C ATOM 516 C ILE A 38 -12.251 3.239 0.822 1.00 0.00 C ATOM 517 O ILE A 38 -12.851 2.168 0.906 1.00 0.00 O ATOM 518 CB ILE A 38 -13.514 5.404 0.292 1.00 0.00 C ATOM 519 CG1 ILE A 38 -14.378 6.500 0.920 1.00 0.00 C ATOM 520 CG2 ILE A 38 -14.300 4.559 -0.712 1.00 0.00 C ATOM 521 CD1 ILE A 38 -13.593 7.805 1.058 1.00 0.00 C ATOM 0 H ILE A 38 -11.588 6.148 1.672 1.00 0.00 H new ATOM 0 HA ILE A 38 -13.692 4.227 2.029 1.00 0.00 H new ATOM 0 HB ILE A 38 -12.716 5.900 -0.260 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -15.263 6.667 0.306 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -14.727 6.176 1.900 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -14.743 5.209 -1.467 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -13.629 3.848 -1.194 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -15.090 4.017 -0.192 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -14.230 8.567 1.507 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -12.722 7.640 1.692 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -13.266 8.139 0.073 1.00 0.00 H new ATOM 533 N ALA A 39 -11.054 3.388 0.274 1.00 0.00 N ATOM 534 CA ALA A 39 -10.341 2.253 -0.286 1.00 0.00 C ATOM 535 C ALA A 39 -10.149 1.191 0.798 1.00 0.00 C ATOM 536 O ALA A 39 -10.384 0.007 0.561 1.00 0.00 O ATOM 537 CB ALA A 39 -9.013 2.726 -0.881 1.00 0.00 C ATOM 0 H ALA A 39 -10.560 4.278 0.206 1.00 0.00 H new ATOM 0 HA ALA A 39 -10.916 1.800 -1.093 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -8.478 1.874 -1.301 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -9.206 3.456 -1.667 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -8.407 3.185 -0.100 1.00 0.00 H new ATOM 543 N LEU A 40 -9.724 1.653 1.965 1.00 0.00 N ATOM 544 CA LEU A 40 -9.498 0.757 3.087 1.00 0.00 C ATOM 545 C LEU A 40 -10.844 0.246 3.605 1.00 0.00 C ATOM 546 O LEU A 40 -10.977 -0.930 3.941 1.00 0.00 O ATOM 547 CB LEU A 40 -8.647 1.444 4.157 1.00 0.00 C ATOM 548 CG LEU A 40 -7.188 1.714 3.783 1.00 0.00 C ATOM 549 CD1 LEU A 40 -6.456 2.434 4.917 1.00 0.00 C ATOM 550 CD2 LEU A 40 -6.480 0.421 3.373 1.00 0.00 C ATOM 0 H LEU A 40 -9.530 2.636 2.158 1.00 0.00 H new ATOM 0 HA LEU A 40 -8.927 -0.115 2.770 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -9.117 2.393 4.413 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -8.663 0.828 5.056 1.00 0.00 H new ATOM 0 HG LEU A 40 -7.173 2.378 2.918 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -5.421 2.614 4.626 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -6.947 3.386 5.120 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -6.478 1.816 5.814 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -5.445 0.640 3.112 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -6.503 -0.285 4.203 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -6.987 -0.014 2.512 1.00 0.00 H new ATOM 562 N GLN A 41 -11.807 1.154 3.654 1.00 0.00 N ATOM 563 CA GLN A 41 -13.137 0.810 4.126 1.00 0.00 C ATOM 564 C GLN A 41 -13.710 -0.344 3.301 1.00 0.00 C ATOM 565 O GLN A 41 -14.528 -1.119 3.796 1.00 0.00 O ATOM 566 CB GLN A 41 -14.065 2.026 4.086 1.00 0.00 C ATOM 567 CG GLN A 41 -14.245 2.624 5.482 1.00 0.00 C ATOM 568 CD GLN A 41 -15.177 3.837 5.443 1.00 0.00 C ATOM 569 OE1 GLN A 41 -15.285 4.538 4.450 1.00 0.00 O ATOM 570 NE2 GLN A 41 -15.842 4.045 6.576 1.00 0.00 N ATOM 0 H GLN A 41 -11.693 2.128 3.374 1.00 0.00 H new ATOM 0 HA GLN A 41 -13.061 0.487 5.164 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -13.654 2.779 3.414 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -15.035 1.735 3.683 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -14.652 1.869 6.155 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -13.275 2.919 5.883 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -15.705 3.420 7.370 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -16.489 4.830 6.651 1.00 0.00 H new ATOM 579 N ASN A 42 -13.259 -0.423 2.058 1.00 0.00 N ATOM 580 CA ASN A 42 -13.717 -1.470 1.161 1.00 0.00 C ATOM 581 C ASN A 42 -12.869 -2.726 1.374 1.00 0.00 C ATOM 582 O ASN A 42 -13.398 -3.790 1.692 1.00 0.00 O ATOM 583 CB ASN A 42 -13.571 -1.044 -0.302 1.00 0.00 C ATOM 584 CG ASN A 42 -14.914 -1.118 -1.030 1.00 0.00 C ATOM 585 OD1 ASN A 42 -15.571 -2.145 -1.073 1.00 0.00 O ATOM 586 ND2 ASN A 42 -15.284 0.026 -1.599 1.00 0.00 N ATOM 0 H ASN A 42 -12.581 0.221 1.651 1.00 0.00 H new ATOM 0 HA ASN A 42 -14.767 -1.664 1.378 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -13.182 -0.027 -0.351 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -12.846 -1.687 -0.801 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -16.165 0.080 -2.110 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -14.686 0.849 -1.525 1.00 0.00 H new ATOM 593 N ASN A 43 -11.567 -2.560 1.191 1.00 0.00 N ATOM 594 CA ASN A 43 -10.641 -3.667 1.360 1.00 0.00 C ATOM 595 C ASN A 43 -10.903 -4.345 2.706 1.00 0.00 C ATOM 596 O ASN A 43 -10.735 -5.557 2.838 1.00 0.00 O ATOM 597 CB ASN A 43 -9.191 -3.178 1.351 1.00 0.00 C ATOM 598 CG ASN A 43 -8.951 -2.194 0.205 1.00 0.00 C ATOM 599 OD1 ASN A 43 -8.304 -1.171 0.356 1.00 0.00 O ATOM 600 ND2 ASN A 43 -9.507 -2.559 -0.947 1.00 0.00 N ATOM 0 H ASN A 43 -11.132 -1.676 0.927 1.00 0.00 H new ATOM 0 HA ASN A 43 -10.792 -4.362 0.534 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -8.960 -2.698 2.302 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -8.517 -4.029 1.251 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -9.404 -1.969 -1.773 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -10.036 -3.429 -1.005 1.00 0.00 H new ATOM 607 N ARG A 44 -11.311 -3.535 3.671 1.00 0.00 N ATOM 608 CA ARG A 44 -11.598 -4.041 5.002 1.00 0.00 C ATOM 609 C ARG A 44 -12.460 -5.302 4.916 1.00 0.00 C ATOM 610 O ARG A 44 -12.186 -6.293 5.591 1.00 0.00 O ATOM 611 CB ARG A 44 -12.324 -2.992 5.846 1.00 0.00 C ATOM 612 CG ARG A 44 -11.565 -2.712 7.145 1.00 0.00 C ATOM 613 CD ARG A 44 -12.516 -2.703 8.344 1.00 0.00 C ATOM 614 NE ARG A 44 -11.878 -3.371 9.501 1.00 0.00 N ATOM 615 CZ ARG A 44 -12.439 -3.472 10.713 1.00 0.00 C ATOM 616 NH1 ARG A 44 -13.652 -2.949 10.936 1.00 0.00 N ATOM 617 NH2 ARG A 44 -11.786 -4.096 11.703 1.00 0.00 N ATOM 0 H ARG A 44 -11.450 -2.531 3.558 1.00 0.00 H new ATOM 0 HA ARG A 44 -10.647 -4.279 5.478 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -12.428 -2.069 5.275 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -13.331 -3.339 6.077 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -10.796 -3.470 7.292 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -11.056 -1.751 7.073 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -12.777 -1.677 8.604 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -13.445 -3.212 8.086 1.00 0.00 H new ATOM 0 HE ARG A 44 -10.953 -3.780 9.367 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -14.149 -2.474 10.183 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -14.079 -3.026 11.859 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -10.862 -4.494 11.533 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -12.213 -4.173 12.626 1.00 0.00 H new ATOM 631 N GLU A 45 -13.484 -5.224 4.079 1.00 0.00 N ATOM 632 CA GLU A 45 -14.388 -6.347 3.895 1.00 0.00 C ATOM 633 C GLU A 45 -13.653 -7.518 3.241 1.00 0.00 C ATOM 634 O GLU A 45 -13.817 -8.666 3.652 1.00 0.00 O ATOM 635 CB GLU A 45 -15.611 -5.937 3.072 1.00 0.00 C ATOM 636 CG GLU A 45 -16.708 -5.360 3.968 1.00 0.00 C ATOM 637 CD GLU A 45 -18.088 -5.861 3.539 1.00 0.00 C ATOM 638 OE1 GLU A 45 -18.541 -5.421 2.460 1.00 0.00 O ATOM 639 OE2 GLU A 45 -18.658 -6.673 4.298 1.00 0.00 O ATOM 0 H GLU A 45 -13.708 -4.400 3.520 1.00 0.00 H new ATOM 0 HA GLU A 45 -14.742 -6.668 4.875 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -15.320 -5.198 2.326 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -15.996 -6.801 2.531 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -16.521 -5.642 5.004 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -16.683 -4.271 3.924 1.00 0.00 H new ATOM 646 N ASN A 46 -12.859 -7.188 2.233 1.00 0.00 N ATOM 647 CA ASN A 46 -12.098 -8.199 1.518 1.00 0.00 C ATOM 648 C ASN A 46 -10.955 -8.695 2.406 1.00 0.00 C ATOM 649 O ASN A 46 -10.306 -7.903 3.088 1.00 0.00 O ATOM 650 CB ASN A 46 -11.487 -7.625 0.238 1.00 0.00 C ATOM 651 CG ASN A 46 -11.092 -8.742 -0.730 1.00 0.00 C ATOM 652 OD1 ASN A 46 -10.110 -9.441 -0.544 1.00 0.00 O ATOM 653 ND2 ASN A 46 -11.911 -8.871 -1.770 1.00 0.00 N ATOM 0 H ASN A 46 -12.726 -6.235 1.894 1.00 0.00 H new ATOM 0 HA ASN A 46 -12.777 -9.012 1.261 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -12.202 -6.958 -0.243 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -10.610 -7.027 0.486 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -11.734 -9.589 -2.472 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -12.716 -8.252 -1.865 1.00 0.00 H new ATOM 660 N GLN A 47 -10.744 -10.002 2.370 1.00 0.00 N ATOM 661 CA GLN A 47 -9.691 -10.613 3.163 1.00 0.00 C ATOM 662 C GLN A 47 -8.409 -10.736 2.338 1.00 0.00 C ATOM 663 O GLN A 47 -7.310 -10.761 2.891 1.00 0.00 O ATOM 664 CB GLN A 47 -10.130 -11.976 3.701 1.00 0.00 C ATOM 665 CG GLN A 47 -10.236 -11.955 5.227 1.00 0.00 C ATOM 666 CD GLN A 47 -10.641 -13.328 5.767 1.00 0.00 C ATOM 667 OE1 GLN A 47 -11.421 -14.053 5.171 1.00 0.00 O ATOM 668 NE2 GLN A 47 -10.069 -13.644 6.925 1.00 0.00 N ATOM 0 H GLN A 47 -11.285 -10.656 1.804 1.00 0.00 H new ATOM 0 HA GLN A 47 -9.488 -9.970 4.019 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -11.093 -12.248 3.270 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -9.416 -12.740 3.393 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -9.280 -11.659 5.658 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -10.969 -11.209 5.534 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -9.425 -12.991 7.371 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -10.274 -14.540 7.368 1.00 0.00 H new ATOM 677 N ALA A 48 -8.591 -10.809 1.027 1.00 0.00 N ATOM 678 CA ALA A 48 -7.462 -10.929 0.120 1.00 0.00 C ATOM 679 C ALA A 48 -6.428 -9.851 0.454 1.00 0.00 C ATOM 680 O ALA A 48 -5.257 -10.157 0.675 1.00 0.00 O ATOM 681 CB ALA A 48 -7.956 -10.836 -1.325 1.00 0.00 C ATOM 0 H ALA A 48 -9.503 -10.787 0.572 1.00 0.00 H new ATOM 0 HA ALA A 48 -6.977 -11.898 0.237 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -7.109 -10.926 -2.005 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -8.665 -11.641 -1.520 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -8.446 -9.875 -1.481 1.00 0.00 H new ATOM 687 N PHE A 49 -6.899 -8.613 0.480 1.00 0.00 N ATOM 688 CA PHE A 49 -6.030 -7.489 0.784 1.00 0.00 C ATOM 689 C PHE A 49 -5.546 -7.545 2.234 1.00 0.00 C ATOM 690 O PHE A 49 -5.920 -6.704 3.050 1.00 0.00 O ATOM 691 CB PHE A 49 -6.858 -6.217 0.584 1.00 0.00 C ATOM 692 CG PHE A 49 -7.007 -5.795 -0.879 1.00 0.00 C ATOM 693 CD1 PHE A 49 -5.901 -5.531 -1.627 1.00 0.00 C ATOM 694 CD2 PHE A 49 -8.244 -5.684 -1.433 1.00 0.00 C ATOM 695 CE1 PHE A 49 -6.039 -5.140 -2.984 1.00 0.00 C ATOM 696 CE2 PHE A 49 -8.382 -5.292 -2.790 1.00 0.00 C ATOM 697 CZ PHE A 49 -7.276 -5.028 -3.538 1.00 0.00 C ATOM 0 H PHE A 49 -7.871 -8.364 0.296 1.00 0.00 H new ATOM 0 HA PHE A 49 -5.154 -7.511 0.136 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -7.850 -6.371 1.010 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -6.394 -5.403 1.141 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -4.918 -5.619 -1.188 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -9.122 -5.894 -0.840 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -5.161 -4.931 -3.577 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -9.365 -5.203 -3.229 1.00 0.00 H new ATOM 0 HZ PHE A 49 -7.381 -4.730 -4.571 1.00 0.00 H new ATOM 707 N SER A 50 -4.722 -8.545 2.510 1.00 0.00 N ATOM 708 CA SER A 50 -4.183 -8.722 3.848 1.00 0.00 C ATOM 709 C SER A 50 -2.846 -7.988 3.975 1.00 0.00 C ATOM 710 O SER A 50 -2.470 -7.559 5.065 1.00 0.00 O ATOM 711 CB SER A 50 -4.007 -10.205 4.179 1.00 0.00 C ATOM 712 OG SER A 50 -3.411 -10.926 3.104 1.00 0.00 O ATOM 0 H SER A 50 -4.415 -9.241 1.830 1.00 0.00 H new ATOM 0 HA SER A 50 -4.892 -8.300 4.561 1.00 0.00 H new ATOM 0 HB2 SER A 50 -3.388 -10.306 5.070 1.00 0.00 H new ATOM 0 HB3 SER A 50 -4.978 -10.642 4.414 1.00 0.00 H new ATOM 0 HG SER A 50 -3.315 -11.868 3.356 1.00 0.00 H new ATOM 718 N PHE A 51 -2.164 -7.867 2.845 1.00 0.00 N ATOM 719 CA PHE A 51 -0.878 -7.193 2.817 1.00 0.00 C ATOM 720 C PHE A 51 -1.027 -5.710 3.164 1.00 0.00 C ATOM 721 O PHE A 51 -0.035 -5.014 3.374 1.00 0.00 O ATOM 722 CB PHE A 51 -0.339 -7.317 1.390 1.00 0.00 C ATOM 723 CG PHE A 51 -1.038 -6.406 0.379 1.00 0.00 C ATOM 724 CD1 PHE A 51 -0.737 -5.080 0.337 1.00 0.00 C ATOM 725 CD2 PHE A 51 -1.960 -6.922 -0.478 1.00 0.00 C ATOM 726 CE1 PHE A 51 -1.385 -4.235 -0.602 1.00 0.00 C ATOM 727 CE2 PHE A 51 -2.608 -6.076 -1.416 1.00 0.00 C ATOM 728 CZ PHE A 51 -2.307 -4.750 -1.458 1.00 0.00 C ATOM 0 H PHE A 51 -2.478 -8.224 1.943 1.00 0.00 H new ATOM 0 HA PHE A 51 -0.207 -7.644 3.548 1.00 0.00 H new ATOM 0 HB2 PHE A 51 0.727 -7.088 1.394 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -0.441 -8.352 1.063 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -0.005 -4.670 1.018 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -2.199 -7.975 -0.445 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -1.145 -3.182 -0.636 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -3.340 -6.485 -2.096 1.00 0.00 H new ATOM 0 HZ PHE A 51 -2.800 -4.107 -2.171 1.00 0.00 H new ATOM 738 N LEU A 52 -2.276 -5.271 3.216 1.00 0.00 N ATOM 739 CA LEU A 52 -2.569 -3.884 3.534 1.00 0.00 C ATOM 740 C LEU A 52 -2.545 -3.698 5.053 1.00 0.00 C ATOM 741 O LEU A 52 -2.094 -2.666 5.549 1.00 0.00 O ATOM 742 CB LEU A 52 -3.883 -3.450 2.883 1.00 0.00 C ATOM 743 CG LEU A 52 -3.793 -3.002 1.423 1.00 0.00 C ATOM 744 CD1 LEU A 52 -5.180 -2.941 0.780 1.00 0.00 C ATOM 745 CD2 LEU A 52 -3.046 -1.672 1.302 1.00 0.00 C ATOM 0 H LEU A 52 -3.097 -5.852 3.043 1.00 0.00 H new ATOM 0 HA LEU A 52 -1.803 -3.229 3.119 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -4.587 -4.280 2.945 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -4.302 -2.632 3.468 1.00 0.00 H new ATOM 0 HG LEU A 52 -3.217 -3.746 0.873 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -5.086 -2.620 -0.257 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -5.641 -3.928 0.814 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -5.803 -2.231 1.325 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -2.996 -1.377 0.254 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -3.573 -0.906 1.870 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -2.036 -1.785 1.695 1.00 0.00 H new ATOM 757 N TYR A 53 -3.035 -4.713 5.749 1.00 0.00 N ATOM 758 CA TYR A 53 -3.076 -4.674 7.201 1.00 0.00 C ATOM 759 C TYR A 53 -1.752 -5.154 7.799 1.00 0.00 C ATOM 760 O TYR A 53 -1.086 -4.412 8.520 1.00 0.00 O ATOM 761 CB TYR A 53 -4.189 -5.637 7.618 1.00 0.00 C ATOM 762 CG TYR A 53 -5.434 -5.571 6.730 1.00 0.00 C ATOM 763 CD1 TYR A 53 -5.953 -4.347 6.360 1.00 0.00 C ATOM 764 CD2 TYR A 53 -6.037 -6.735 6.299 1.00 0.00 C ATOM 765 CE1 TYR A 53 -7.124 -4.285 5.524 1.00 0.00 C ATOM 766 CE2 TYR A 53 -7.208 -6.673 5.464 1.00 0.00 C ATOM 767 CZ TYR A 53 -7.694 -5.451 5.118 1.00 0.00 C ATOM 768 OH TYR A 53 -8.800 -5.393 4.329 1.00 0.00 O ATOM 0 H TYR A 53 -3.407 -5.568 5.335 1.00 0.00 H new ATOM 0 HA TYR A 53 -3.250 -3.657 7.553 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -3.799 -6.655 7.604 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -4.477 -5.420 8.647 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -5.481 -3.436 6.697 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -5.630 -7.693 6.588 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -7.540 -3.334 5.226 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -7.690 -7.576 5.120 1.00 0.00 H new ATOM 0 HH TYR A 53 -9.060 -6.300 4.063 1.00 0.00 H new ATOM 778 N ASP A 54 -1.409 -6.394 7.478 1.00 0.00 N ATOM 779 CA ASP A 54 -0.177 -6.982 7.975 1.00 0.00 C ATOM 780 C ASP A 54 0.995 -6.058 7.640 1.00 0.00 C ATOM 781 O ASP A 54 1.392 -5.947 6.481 1.00 0.00 O ATOM 782 CB ASP A 54 0.089 -8.339 7.320 1.00 0.00 C ATOM 783 CG ASP A 54 -0.760 -9.493 7.857 1.00 0.00 C ATOM 784 OD1 ASP A 54 -1.905 -9.211 8.271 1.00 0.00 O ATOM 785 OD2 ASP A 54 -0.244 -10.632 7.841 1.00 0.00 O ATOM 0 H ASP A 54 -1.963 -7.007 6.880 1.00 0.00 H new ATOM 0 HA ASP A 54 -0.277 -7.115 9.052 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -0.084 -8.248 6.248 1.00 0.00 H new ATOM 0 HB3 ASP A 54 1.141 -8.590 7.453 1.00 0.00 H new ATOM 790 N PRO A 55 1.531 -5.400 8.703 1.00 0.00 N ATOM 791 CA PRO A 55 2.650 -4.489 8.534 1.00 0.00 C ATOM 792 C PRO A 55 3.954 -5.258 8.308 1.00 0.00 C ATOM 793 O PRO A 55 4.938 -4.692 7.835 1.00 0.00 O ATOM 794 CB PRO A 55 2.668 -3.648 9.799 1.00 0.00 C ATOM 795 CG PRO A 55 1.857 -4.423 10.826 1.00 0.00 C ATOM 796 CD PRO A 55 1.087 -5.507 10.090 1.00 0.00 C ATOM 0 HA PRO A 55 2.547 -3.856 7.653 1.00 0.00 H new ATOM 0 HB2 PRO A 55 3.688 -3.488 10.147 1.00 0.00 H new ATOM 0 HB3 PRO A 55 2.234 -2.664 9.620 1.00 0.00 H new ATOM 0 HG2 PRO A 55 2.513 -4.864 11.577 1.00 0.00 H new ATOM 0 HG3 PRO A 55 1.172 -3.758 11.352 1.00 0.00 H new ATOM 0 HD2 PRO A 55 1.303 -6.494 10.500 1.00 0.00 H new ATOM 0 HD3 PRO A 55 0.011 -5.355 10.174 1.00 0.00 H new ATOM 804 N ASN A 56 3.918 -6.535 8.657 1.00 0.00 N ATOM 805 CA ASN A 56 5.084 -7.387 8.499 1.00 0.00 C ATOM 806 C ASN A 56 4.841 -8.369 7.351 1.00 0.00 C ATOM 807 O ASN A 56 5.263 -9.523 7.416 1.00 0.00 O ATOM 808 CB ASN A 56 5.349 -8.200 9.768 1.00 0.00 C ATOM 809 CG ASN A 56 6.172 -7.393 10.774 1.00 0.00 C ATOM 810 OD1 ASN A 56 7.363 -7.183 10.615 1.00 0.00 O ATOM 811 ND2 ASN A 56 5.472 -6.954 11.816 1.00 0.00 N ATOM 0 H ASN A 56 3.099 -7.001 9.049 1.00 0.00 H new ATOM 0 HA ASN A 56 5.943 -6.748 8.294 1.00 0.00 H new ATOM 0 HB2 ASN A 56 4.402 -8.494 10.220 1.00 0.00 H new ATOM 0 HB3 ASN A 56 5.879 -9.118 9.512 1.00 0.00 H new ATOM 0 HD21 ASN A 56 5.930 -6.405 12.544 1.00 0.00 H new ATOM 0 HD22 ASN A 56 4.477 -7.166 11.888 1.00 0.00 H new ATOM 818 N SER A 57 4.162 -7.875 6.326 1.00 0.00 N ATOM 819 CA SER A 57 3.857 -8.695 5.165 1.00 0.00 C ATOM 820 C SER A 57 4.731 -8.272 3.983 1.00 0.00 C ATOM 821 O SER A 57 4.996 -7.085 3.795 1.00 0.00 O ATOM 822 CB SER A 57 2.377 -8.595 4.794 1.00 0.00 C ATOM 823 OG SER A 57 1.819 -9.867 4.474 1.00 0.00 O ATOM 0 H SER A 57 3.814 -6.917 6.275 1.00 0.00 H new ATOM 0 HA SER A 57 4.071 -9.734 5.414 1.00 0.00 H new ATOM 0 HB2 SER A 57 1.824 -8.155 5.624 1.00 0.00 H new ATOM 0 HB3 SER A 57 2.261 -7.924 3.943 1.00 0.00 H new ATOM 0 HG SER A 57 0.872 -9.760 4.244 1.00 0.00 H new ATOM 829 N GLN A 58 5.155 -9.266 3.216 1.00 0.00 N ATOM 830 CA GLN A 58 5.993 -9.012 2.057 1.00 0.00 C ATOM 831 C GLN A 58 5.293 -8.049 1.096 1.00 0.00 C ATOM 832 O GLN A 58 5.948 -7.267 0.409 1.00 0.00 O ATOM 833 CB GLN A 58 6.364 -10.318 1.351 1.00 0.00 C ATOM 834 CG GLN A 58 7.305 -11.160 2.215 1.00 0.00 C ATOM 835 CD GLN A 58 8.496 -11.663 1.398 1.00 0.00 C ATOM 836 OE1 GLN A 58 8.358 -12.425 0.455 1.00 0.00 O ATOM 837 NE2 GLN A 58 9.671 -11.196 1.810 1.00 0.00 N ATOM 0 H GLN A 58 4.934 -10.249 3.375 1.00 0.00 H new ATOM 0 HA GLN A 58 6.918 -8.546 2.397 1.00 0.00 H new ATOM 0 HB2 GLN A 58 5.460 -10.886 1.131 1.00 0.00 H new ATOM 0 HB3 GLN A 58 6.841 -10.097 0.396 1.00 0.00 H new ATOM 0 HG2 GLN A 58 7.662 -10.566 3.056 1.00 0.00 H new ATOM 0 HG3 GLN A 58 6.761 -12.008 2.632 1.00 0.00 H new ATOM 0 HE21 GLN A 58 9.716 -10.561 2.607 1.00 0.00 H new ATOM 0 HE22 GLN A 58 10.527 -11.473 1.329 1.00 0.00 H new ATOM 846 N GLY A 59 3.971 -8.138 1.079 1.00 0.00 N ATOM 847 CA GLY A 59 3.175 -7.285 0.213 1.00 0.00 C ATOM 848 C GLY A 59 3.127 -5.852 0.749 1.00 0.00 C ATOM 849 O GLY A 59 3.157 -4.895 -0.023 1.00 0.00 O ATOM 0 H GLY A 59 3.431 -8.788 1.651 1.00 0.00 H new ATOM 0 HA2 GLY A 59 3.596 -7.287 -0.792 1.00 0.00 H new ATOM 0 HA3 GLY A 59 2.163 -7.682 0.136 1.00 0.00 H new ATOM 853 N TYR A 60 3.055 -5.750 2.068 1.00 0.00 N ATOM 854 CA TYR A 60 3.003 -4.451 2.716 1.00 0.00 C ATOM 855 C TYR A 60 4.291 -3.663 2.469 1.00 0.00 C ATOM 856 O TYR A 60 4.249 -2.532 1.986 1.00 0.00 O ATOM 857 CB TYR A 60 2.870 -4.731 4.214 1.00 0.00 C ATOM 858 CG TYR A 60 2.680 -3.476 5.068 1.00 0.00 C ATOM 859 CD1 TYR A 60 1.432 -2.897 5.176 1.00 0.00 C ATOM 860 CD2 TYR A 60 3.757 -2.923 5.731 1.00 0.00 C ATOM 861 CE1 TYR A 60 1.253 -1.716 5.980 1.00 0.00 C ATOM 862 CE2 TYR A 60 3.578 -1.742 6.535 1.00 0.00 C ATOM 863 CZ TYR A 60 2.335 -1.197 6.620 1.00 0.00 C ATOM 864 OH TYR A 60 2.166 -0.081 7.379 1.00 0.00 O ATOM 0 H TYR A 60 3.031 -6.546 2.705 1.00 0.00 H new ATOM 0 HA TYR A 60 2.173 -3.861 2.326 1.00 0.00 H new ATOM 0 HB2 TYR A 60 2.023 -5.399 4.374 1.00 0.00 H new ATOM 0 HB3 TYR A 60 3.761 -5.258 4.555 1.00 0.00 H new ATOM 0 HD1 TYR A 60 0.589 -3.330 4.657 1.00 0.00 H new ATOM 0 HD2 TYR A 60 4.734 -3.376 5.647 1.00 0.00 H new ATOM 0 HE1 TYR A 60 0.282 -1.253 6.073 1.00 0.00 H new ATOM 0 HE2 TYR A 60 4.412 -1.299 7.059 1.00 0.00 H new ATOM 0 HH TYR A 60 3.024 0.177 7.777 1.00 0.00 H new ATOM 874 N ARG A 61 5.406 -4.291 2.812 1.00 0.00 N ATOM 875 CA ARG A 61 6.704 -3.663 2.634 1.00 0.00 C ATOM 876 C ARG A 61 6.837 -3.113 1.212 1.00 0.00 C ATOM 877 O ARG A 61 7.078 -1.922 1.024 1.00 0.00 O ATOM 878 CB ARG A 61 7.837 -4.657 2.896 1.00 0.00 C ATOM 879 CG ARG A 61 8.060 -4.851 4.398 1.00 0.00 C ATOM 880 CD ARG A 61 9.392 -5.553 4.668 1.00 0.00 C ATOM 881 NE ARG A 61 10.164 -4.799 5.681 1.00 0.00 N ATOM 882 CZ ARG A 61 9.794 -4.666 6.962 1.00 0.00 C ATOM 883 NH1 ARG A 61 8.661 -5.235 7.394 1.00 0.00 N ATOM 884 NH2 ARG A 61 10.557 -3.963 7.810 1.00 0.00 N ATOM 0 H ARG A 61 5.437 -5.229 3.212 1.00 0.00 H new ATOM 0 HA ARG A 61 6.778 -2.846 3.352 1.00 0.00 H new ATOM 0 HB2 ARG A 61 7.599 -5.615 2.433 1.00 0.00 H new ATOM 0 HB3 ARG A 61 8.755 -4.298 2.432 1.00 0.00 H new ATOM 0 HG2 ARG A 61 8.047 -3.883 4.899 1.00 0.00 H new ATOM 0 HG3 ARG A 61 7.243 -5.439 4.818 1.00 0.00 H new ATOM 0 HD2 ARG A 61 9.213 -6.570 5.018 1.00 0.00 H new ATOM 0 HD3 ARG A 61 9.966 -5.630 3.744 1.00 0.00 H new ATOM 0 HE ARG A 61 11.032 -4.353 5.385 1.00 0.00 H new ATOM 0 HH11 ARG A 61 8.080 -5.769 6.748 1.00 0.00 H new ATOM 0 HH12 ARG A 61 8.379 -5.134 8.369 1.00 0.00 H new ATOM 0 HH21 ARG A 61 11.419 -3.529 7.480 1.00 0.00 H new ATOM 0 HH22 ARG A 61 10.275 -3.862 8.785 1.00 0.00 H new ATOM 898 N TYR A 62 6.673 -4.007 0.248 1.00 0.00 N ATOM 899 CA TYR A 62 6.772 -3.626 -1.150 1.00 0.00 C ATOM 900 C TYR A 62 5.703 -2.593 -1.514 1.00 0.00 C ATOM 901 O TYR A 62 5.971 -1.653 -2.261 1.00 0.00 O ATOM 902 CB TYR A 62 6.523 -4.903 -1.954 1.00 0.00 C ATOM 903 CG TYR A 62 6.060 -4.654 -3.391 1.00 0.00 C ATOM 904 CD1 TYR A 62 4.743 -4.333 -3.645 1.00 0.00 C ATOM 905 CD2 TYR A 62 6.960 -4.752 -4.433 1.00 0.00 C ATOM 906 CE1 TYR A 62 4.307 -4.098 -4.998 1.00 0.00 C ATOM 907 CE2 TYR A 62 6.524 -4.517 -5.785 1.00 0.00 C ATOM 908 CZ TYR A 62 5.219 -4.203 -6.001 1.00 0.00 C ATOM 909 OH TYR A 62 4.807 -3.981 -7.278 1.00 0.00 O ATOM 0 H TYR A 62 6.472 -4.994 0.408 1.00 0.00 H new ATOM 0 HA TYR A 62 7.746 -3.183 -1.359 1.00 0.00 H new ATOM 0 HB2 TYR A 62 7.441 -5.491 -1.976 1.00 0.00 H new ATOM 0 HB3 TYR A 62 5.772 -5.503 -1.440 1.00 0.00 H new ATOM 0 HD1 TYR A 62 4.039 -4.258 -2.830 1.00 0.00 H new ATOM 0 HD2 TYR A 62 7.991 -5.005 -4.234 1.00 0.00 H new ATOM 0 HE1 TYR A 62 3.279 -3.844 -5.211 1.00 0.00 H new ATOM 0 HE2 TYR A 62 7.218 -4.589 -6.609 1.00 0.00 H new ATOM 0 HH TYR A 62 4.029 -4.545 -7.474 1.00 0.00 H new ATOM 919 N TYR A 63 4.514 -2.802 -0.968 1.00 0.00 N ATOM 920 CA TYR A 63 3.403 -1.901 -1.225 1.00 0.00 C ATOM 921 C TYR A 63 3.738 -0.476 -0.779 1.00 0.00 C ATOM 922 O TYR A 63 3.656 0.461 -1.571 1.00 0.00 O ATOM 923 CB TYR A 63 2.234 -2.423 -0.387 1.00 0.00 C ATOM 924 CG TYR A 63 1.184 -1.361 -0.054 1.00 0.00 C ATOM 925 CD1 TYR A 63 1.331 -0.575 1.071 1.00 0.00 C ATOM 926 CD2 TYR A 63 0.091 -1.189 -0.878 1.00 0.00 C ATOM 927 CE1 TYR A 63 0.343 0.425 1.385 1.00 0.00 C ATOM 928 CE2 TYR A 63 -0.897 -0.189 -0.564 1.00 0.00 C ATOM 929 CZ TYR A 63 -0.722 0.568 0.552 1.00 0.00 C ATOM 930 OH TYR A 63 -1.655 1.513 0.848 1.00 0.00 O ATOM 0 H TYR A 63 4.296 -3.582 -0.348 1.00 0.00 H new ATOM 0 HA TYR A 63 3.173 -1.870 -2.290 1.00 0.00 H new ATOM 0 HB2 TYR A 63 1.752 -3.240 -0.924 1.00 0.00 H new ATOM 0 HB3 TYR A 63 2.623 -2.838 0.543 1.00 0.00 H new ATOM 0 HD1 TYR A 63 2.187 -0.710 1.716 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -0.024 -1.804 -1.758 1.00 0.00 H new ATOM 0 HE1 TYR A 63 0.446 1.047 2.262 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -1.757 -0.044 -1.201 1.00 0.00 H new ATOM 0 HH TYR A 63 -2.058 1.846 0.019 1.00 0.00 H new ATOM 940 N ARG A 64 4.110 -0.359 0.487 1.00 0.00 N ATOM 941 CA ARG A 64 4.458 0.936 1.048 1.00 0.00 C ATOM 942 C ARG A 64 5.366 1.704 0.085 1.00 0.00 C ATOM 943 O ARG A 64 5.154 2.891 -0.160 1.00 0.00 O ATOM 944 CB ARG A 64 5.169 0.780 2.394 1.00 0.00 C ATOM 945 CG ARG A 64 4.162 0.760 3.546 1.00 0.00 C ATOM 946 CD ARG A 64 4.114 2.114 4.256 1.00 0.00 C ATOM 947 NE ARG A 64 5.337 2.303 5.069 1.00 0.00 N ATOM 948 CZ ARG A 64 5.468 3.234 6.023 1.00 0.00 C ATOM 949 NH1 ARG A 64 4.452 4.067 6.291 1.00 0.00 N ATOM 950 NH2 ARG A 64 6.614 3.333 6.711 1.00 0.00 N ATOM 0 H ARG A 64 4.178 -1.139 1.140 1.00 0.00 H new ATOM 0 HA ARG A 64 3.533 1.491 1.201 1.00 0.00 H new ATOM 0 HB2 ARG A 64 5.750 -0.142 2.398 1.00 0.00 H new ATOM 0 HB3 ARG A 64 5.872 1.601 2.535 1.00 0.00 H new ATOM 0 HG2 ARG A 64 3.172 0.510 3.164 1.00 0.00 H new ATOM 0 HG3 ARG A 64 4.434 -0.019 4.258 1.00 0.00 H new ATOM 0 HD2 ARG A 64 4.027 2.916 3.523 1.00 0.00 H new ATOM 0 HD3 ARG A 64 3.232 2.169 4.893 1.00 0.00 H new ATOM 0 HE ARG A 64 6.129 1.686 4.891 1.00 0.00 H new ATOM 0 HH11 ARG A 64 3.579 3.992 5.768 1.00 0.00 H new ATOM 0 HH12 ARG A 64 4.552 4.776 7.018 1.00 0.00 H new ATOM 0 HH21 ARG A 64 7.387 2.699 6.508 1.00 0.00 H new ATOM 0 HH22 ARG A 64 6.713 4.042 7.437 1.00 0.00 H new ATOM 964 N GLN A 65 6.358 0.996 -0.434 1.00 0.00 N ATOM 965 CA GLN A 65 7.299 1.597 -1.364 1.00 0.00 C ATOM 966 C GLN A 65 6.550 2.289 -2.504 1.00 0.00 C ATOM 967 O GLN A 65 6.651 3.504 -2.671 1.00 0.00 O ATOM 968 CB GLN A 65 8.277 0.552 -1.906 1.00 0.00 C ATOM 969 CG GLN A 65 9.555 1.215 -2.424 1.00 0.00 C ATOM 970 CD GLN A 65 10.533 0.170 -2.967 1.00 0.00 C ATOM 971 OE1 GLN A 65 10.174 -0.723 -3.717 1.00 0.00 O ATOM 972 NE2 GLN A 65 11.784 0.331 -2.547 1.00 0.00 N ATOM 0 H GLN A 65 6.531 0.012 -0.228 1.00 0.00 H new ATOM 0 HA GLN A 65 7.880 2.348 -0.828 1.00 0.00 H new ATOM 0 HB2 GLN A 65 8.526 -0.161 -1.120 1.00 0.00 H new ATOM 0 HB3 GLN A 65 7.804 -0.012 -2.710 1.00 0.00 H new ATOM 0 HG2 GLN A 65 9.306 1.928 -3.210 1.00 0.00 H new ATOM 0 HG3 GLN A 65 10.028 1.778 -1.620 1.00 0.00 H new ATOM 0 HE21 GLN A 65 12.016 1.101 -1.919 1.00 0.00 H new ATOM 0 HE22 GLN A 65 12.512 -0.315 -2.853 1.00 0.00 H new ATOM 981 N LYS A 66 5.815 1.487 -3.260 1.00 0.00 N ATOM 982 CA LYS A 66 5.049 2.007 -4.380 1.00 0.00 C ATOM 983 C LYS A 66 4.261 3.237 -3.925 1.00 0.00 C ATOM 984 O LYS A 66 4.201 4.238 -4.637 1.00 0.00 O ATOM 985 CB LYS A 66 4.176 0.908 -4.989 1.00 0.00 C ATOM 986 CG LYS A 66 5.036 -0.218 -5.567 1.00 0.00 C ATOM 987 CD LYS A 66 5.793 0.253 -6.811 1.00 0.00 C ATOM 988 CE LYS A 66 6.542 -0.907 -7.469 1.00 0.00 C ATOM 989 NZ LYS A 66 7.956 -0.923 -7.035 1.00 0.00 N ATOM 0 H LYS A 66 5.734 0.480 -3.119 1.00 0.00 H new ATOM 0 HA LYS A 66 5.715 2.332 -5.179 1.00 0.00 H new ATOM 0 HB2 LYS A 66 3.508 0.506 -4.228 1.00 0.00 H new ATOM 0 HB3 LYS A 66 3.548 1.330 -5.774 1.00 0.00 H new ATOM 0 HG2 LYS A 66 5.745 -0.562 -4.814 1.00 0.00 H new ATOM 0 HG3 LYS A 66 4.404 -1.069 -5.822 1.00 0.00 H new ATOM 0 HD2 LYS A 66 5.093 0.689 -7.524 1.00 0.00 H new ATOM 0 HD3 LYS A 66 6.499 1.037 -6.536 1.00 0.00 H new ATOM 0 HE2 LYS A 66 6.064 -1.851 -7.207 1.00 0.00 H new ATOM 0 HE3 LYS A 66 6.489 -0.813 -8.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 8.450 -1.717 -7.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 8.413 -0.029 -7.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 8.001 -1.035 -6.002 1.00 0.00 H new ATOM 1003 N LEU A 67 3.677 3.122 -2.742 1.00 0.00 N ATOM 1004 CA LEU A 67 2.895 4.212 -2.183 1.00 0.00 C ATOM 1005 C LEU A 67 3.750 5.480 -2.147 1.00 0.00 C ATOM 1006 O LEU A 67 3.298 6.549 -2.555 1.00 0.00 O ATOM 1007 CB LEU A 67 2.321 3.817 -0.821 1.00 0.00 C ATOM 1008 CG LEU A 67 0.951 4.404 -0.474 1.00 0.00 C ATOM 1009 CD1 LEU A 67 -0.124 3.891 -1.435 1.00 0.00 C ATOM 1010 CD2 LEU A 67 0.592 4.130 0.987 1.00 0.00 C ATOM 0 H LEU A 67 3.729 2.290 -2.154 1.00 0.00 H new ATOM 0 HA LEU A 67 2.033 4.426 -2.815 1.00 0.00 H new ATOM 0 HB2 LEU A 67 2.249 2.730 -0.781 1.00 0.00 H new ATOM 0 HB3 LEU A 67 3.029 4.118 -0.049 1.00 0.00 H new ATOM 0 HG LEU A 67 1.002 5.486 -0.595 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -1.088 4.323 -1.167 1.00 0.00 H new ATOM 0 HD12 LEU A 67 0.132 4.179 -2.455 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -0.182 2.805 -1.369 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -0.386 4.558 1.208 1.00 0.00 H new ATOM 0 HD22 LEU A 67 0.565 3.054 1.159 1.00 0.00 H new ATOM 0 HD23 LEU A 67 1.341 4.583 1.637 1.00 0.00 H new ATOM 1022 N ASP A 68 4.969 5.320 -1.654 1.00 0.00 N ATOM 1023 CA ASP A 68 5.891 6.439 -1.558 1.00 0.00 C ATOM 1024 C ASP A 68 6.396 6.798 -2.957 1.00 0.00 C ATOM 1025 O ASP A 68 6.520 7.975 -3.293 1.00 0.00 O ATOM 1026 CB ASP A 68 7.103 6.082 -0.695 1.00 0.00 C ATOM 1027 CG ASP A 68 7.719 7.254 0.071 1.00 0.00 C ATOM 1028 OD1 ASP A 68 6.936 7.987 0.712 1.00 0.00 O ATOM 1029 OD2 ASP A 68 8.959 7.391 -0.003 1.00 0.00 O ATOM 0 H ASP A 68 5.340 4.432 -1.317 1.00 0.00 H new ATOM 0 HA ASP A 68 5.360 7.276 -1.105 1.00 0.00 H new ATOM 0 HB2 ASP A 68 6.807 5.315 0.021 1.00 0.00 H new ATOM 0 HB3 ASP A 68 7.869 5.643 -1.334 1.00 0.00 H new ATOM 1034 N GLU A 69 6.675 5.762 -3.735 1.00 0.00 N ATOM 1035 CA GLU A 69 7.164 5.954 -5.090 1.00 0.00 C ATOM 1036 C GLU A 69 6.202 6.844 -5.880 1.00 0.00 C ATOM 1037 O GLU A 69 6.631 7.765 -6.574 1.00 0.00 O ATOM 1038 CB GLU A 69 7.372 4.612 -5.793 1.00 0.00 C ATOM 1039 CG GLU A 69 8.826 4.445 -6.239 1.00 0.00 C ATOM 1040 CD GLU A 69 9.674 3.830 -5.124 1.00 0.00 C ATOM 1041 OE1 GLU A 69 9.875 4.533 -4.110 1.00 0.00 O ATOM 1042 OE2 GLU A 69 10.102 2.670 -5.310 1.00 0.00 O ATOM 0 H GLU A 69 6.572 4.787 -3.453 1.00 0.00 H new ATOM 0 HA GLU A 69 8.131 6.454 -5.039 1.00 0.00 H new ATOM 0 HB2 GLU A 69 7.099 3.799 -5.120 1.00 0.00 H new ATOM 0 HB3 GLU A 69 6.713 4.545 -6.658 1.00 0.00 H new ATOM 0 HG2 GLU A 69 8.868 3.811 -7.125 1.00 0.00 H new ATOM 0 HG3 GLU A 69 9.237 5.414 -6.521 1.00 0.00 H new ATOM 1049 N PHE A 70 4.920 6.537 -5.750 1.00 0.00 N ATOM 1050 CA PHE A 70 3.894 7.298 -6.443 1.00 0.00 C ATOM 1051 C PHE A 70 3.591 8.606 -5.710 1.00 0.00 C ATOM 1052 O PHE A 70 3.683 9.685 -6.294 1.00 0.00 O ATOM 1053 CB PHE A 70 2.632 6.433 -6.461 1.00 0.00 C ATOM 1054 CG PHE A 70 2.854 5.018 -6.997 1.00 0.00 C ATOM 1055 CD1 PHE A 70 3.904 4.761 -7.823 1.00 0.00 C ATOM 1056 CD2 PHE A 70 2.003 4.016 -6.648 1.00 0.00 C ATOM 1057 CE1 PHE A 70 4.111 3.447 -8.321 1.00 0.00 C ATOM 1058 CE2 PHE A 70 2.210 2.702 -7.145 1.00 0.00 C ATOM 1059 CZ PHE A 70 3.259 2.446 -7.971 1.00 0.00 C ATOM 0 H PHE A 70 4.568 5.772 -5.175 1.00 0.00 H new ATOM 0 HA PHE A 70 4.232 7.547 -7.449 1.00 0.00 H new ATOM 0 HB2 PHE A 70 2.234 6.368 -5.448 1.00 0.00 H new ATOM 0 HB3 PHE A 70 1.875 6.926 -7.070 1.00 0.00 H new ATOM 0 HD1 PHE A 70 4.580 5.556 -8.100 1.00 0.00 H new ATOM 0 HD2 PHE A 70 1.169 4.220 -5.992 1.00 0.00 H new ATOM 0 HE1 PHE A 70 4.944 3.243 -8.977 1.00 0.00 H new ATOM 0 HE2 PHE A 70 1.535 1.906 -6.867 1.00 0.00 H new ATOM 0 HZ PHE A 70 3.416 1.447 -8.350 1.00 0.00 H new ATOM 1069 N ARG A 71 3.237 8.467 -4.440 1.00 0.00 N ATOM 1070 CA ARG A 71 2.920 9.625 -3.621 1.00 0.00 C ATOM 1071 C ARG A 71 3.887 10.771 -3.925 1.00 0.00 C ATOM 1072 O ARG A 71 3.461 11.895 -4.186 1.00 0.00 O ATOM 1073 CB ARG A 71 2.997 9.283 -2.132 1.00 0.00 C ATOM 1074 CG ARG A 71 1.691 8.651 -1.646 1.00 0.00 C ATOM 1075 CD ARG A 71 1.819 8.173 -0.198 1.00 0.00 C ATOM 1076 NE ARG A 71 0.478 7.898 0.364 1.00 0.00 N ATOM 1077 CZ ARG A 71 0.257 7.520 1.630 1.00 0.00 C ATOM 1078 NH1 ARG A 71 1.288 7.369 2.474 1.00 0.00 N ATOM 1079 NH2 ARG A 71 -0.994 7.292 2.053 1.00 0.00 N ATOM 0 H ARG A 71 3.163 7.571 -3.959 1.00 0.00 H new ATOM 0 HA ARG A 71 1.902 9.932 -3.860 1.00 0.00 H new ATOM 0 HB2 ARG A 71 3.825 8.597 -1.955 1.00 0.00 H new ATOM 0 HB3 ARG A 71 3.204 10.186 -1.558 1.00 0.00 H new ATOM 0 HG2 ARG A 71 0.881 9.376 -1.723 1.00 0.00 H new ATOM 0 HG3 ARG A 71 1.428 7.810 -2.288 1.00 0.00 H new ATOM 0 HD2 ARG A 71 2.432 7.272 -0.156 1.00 0.00 H new ATOM 0 HD3 ARG A 71 2.325 8.931 0.400 1.00 0.00 H new ATOM 0 HE ARG A 71 -0.329 8.003 -0.251 1.00 0.00 H new ATOM 0 HH11 ARG A 71 2.240 7.542 2.152 1.00 0.00 H new ATOM 0 HH12 ARG A 71 1.120 7.081 3.438 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -1.778 7.406 1.411 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -1.162 7.004 3.017 1.00 0.00 H new ATOM 1093 N LYS A 72 5.171 10.447 -3.882 1.00 0.00 N ATOM 1094 CA LYS A 72 6.202 11.435 -4.149 1.00 0.00 C ATOM 1095 C LYS A 72 6.207 12.476 -3.029 1.00 0.00 C ATOM 1096 O LYS A 72 7.144 12.533 -2.234 1.00 0.00 O ATOM 1097 CB LYS A 72 6.021 12.034 -5.545 1.00 0.00 C ATOM 1098 CG LYS A 72 6.693 11.162 -6.608 1.00 0.00 C ATOM 1099 CD LYS A 72 8.076 11.708 -6.971 1.00 0.00 C ATOM 1100 CE LYS A 72 7.959 12.972 -7.825 1.00 0.00 C ATOM 1101 NZ LYS A 72 9.126 13.098 -8.726 1.00 0.00 N ATOM 0 H LYS A 72 5.521 9.514 -3.666 1.00 0.00 H new ATOM 0 HA LYS A 72 7.186 10.967 -4.153 1.00 0.00 H new ATOM 0 HB2 LYS A 72 4.958 12.131 -5.768 1.00 0.00 H new ATOM 0 HB3 LYS A 72 6.445 13.038 -5.572 1.00 0.00 H new ATOM 0 HG2 LYS A 72 6.787 10.140 -6.240 1.00 0.00 H new ATOM 0 HG3 LYS A 72 6.068 11.123 -7.500 1.00 0.00 H new ATOM 0 HD2 LYS A 72 8.634 11.930 -6.061 1.00 0.00 H new ATOM 0 HD3 LYS A 72 8.640 10.949 -7.513 1.00 0.00 H new ATOM 0 HE2 LYS A 72 7.041 12.938 -8.412 1.00 0.00 H new ATOM 0 HE3 LYS A 72 7.893 13.849 -7.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 9.031 13.961 -9.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 9.997 13.152 -8.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 9.171 12.270 -9.353 1.00 0.00 H new ATOM 1115 N SER A 73 5.150 13.275 -3.002 1.00 0.00 N ATOM 1116 CA SER A 73 5.021 14.312 -1.992 1.00 0.00 C ATOM 1117 C SER A 73 3.599 14.876 -2.001 1.00 0.00 C ATOM 1118 O SER A 73 3.276 15.741 -2.814 1.00 0.00 O ATOM 1119 CB SER A 73 6.038 15.432 -2.219 1.00 0.00 C ATOM 1120 OG SER A 73 5.930 15.995 -3.523 1.00 0.00 O ATOM 0 H SER A 73 4.375 13.225 -3.663 1.00 0.00 H new ATOM 0 HA SER A 73 5.223 13.868 -1.017 1.00 0.00 H new ATOM 0 HB2 SER A 73 5.889 16.213 -1.473 1.00 0.00 H new ATOM 0 HB3 SER A 73 7.045 15.042 -2.075 1.00 0.00 H new ATOM 0 HG SER A 73 4.985 16.051 -3.778 1.00 0.00 H new ATOM 1126 N GLY A 74 2.788 14.365 -1.087 1.00 0.00 N ATOM 1127 CA GLY A 74 1.408 14.807 -0.979 1.00 0.00 C ATOM 1128 C GLY A 74 0.550 14.205 -2.093 1.00 0.00 C ATOM 1129 O GLY A 74 1.002 13.322 -2.821 1.00 0.00 O ATOM 0 H GLY A 74 3.060 13.649 -0.414 1.00 0.00 H new ATOM 0 HA2 GLY A 74 1.005 14.518 -0.008 1.00 0.00 H new ATOM 0 HA3 GLY A 74 1.366 15.895 -1.031 1.00 0.00 H new ATOM 1133 N PRO A 75 -0.704 14.719 -2.195 1.00 0.00 N ATOM 1134 CA PRO A 75 -1.629 14.242 -3.208 1.00 0.00 C ATOM 1135 C PRO A 75 -1.258 14.785 -4.590 1.00 0.00 C ATOM 1136 O PRO A 75 -0.595 15.815 -4.698 1.00 0.00 O ATOM 1137 CB PRO A 75 -3.000 14.702 -2.738 1.00 0.00 C ATOM 1138 CG PRO A 75 -2.744 15.812 -1.732 1.00 0.00 C ATOM 1139 CD PRO A 75 -1.273 15.766 -1.351 1.00 0.00 C ATOM 0 HA PRO A 75 -1.604 13.158 -3.322 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -3.599 15.063 -3.574 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -3.552 13.881 -2.281 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -2.997 16.782 -2.161 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -3.371 15.680 -0.850 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -0.788 16.726 -1.529 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -1.145 15.535 -0.293 1.00 0.00 H new ATOM 1147 N SER A 76 -1.700 14.066 -5.611 1.00 0.00 N ATOM 1148 CA SER A 76 -1.422 14.463 -6.981 1.00 0.00 C ATOM 1149 C SER A 76 -2.582 15.296 -7.530 1.00 0.00 C ATOM 1150 O SER A 76 -3.460 14.770 -8.213 1.00 0.00 O ATOM 1151 CB SER A 76 -1.178 13.242 -7.870 1.00 0.00 C ATOM 1152 OG SER A 76 0.066 13.323 -8.559 1.00 0.00 O ATOM 0 H SER A 76 -2.248 13.211 -5.517 1.00 0.00 H new ATOM 0 HA SER A 76 -0.515 15.068 -6.984 1.00 0.00 H new ATOM 0 HB2 SER A 76 -1.196 12.339 -7.259 1.00 0.00 H new ATOM 0 HB3 SER A 76 -1.988 13.153 -8.594 1.00 0.00 H new ATOM 0 HG SER A 76 0.185 12.524 -9.114 1.00 0.00 H new ATOM 1158 N SER A 77 -2.548 16.582 -7.212 1.00 0.00 N ATOM 1159 CA SER A 77 -3.586 17.492 -7.665 1.00 0.00 C ATOM 1160 C SER A 77 -4.929 17.106 -7.043 1.00 0.00 C ATOM 1161 O SER A 77 -5.536 16.111 -7.436 1.00 0.00 O ATOM 1162 CB SER A 77 -3.689 17.494 -9.191 1.00 0.00 C ATOM 1163 OG SER A 77 -4.631 18.455 -9.661 1.00 0.00 O ATOM 0 H SER A 77 -1.818 17.015 -6.646 1.00 0.00 H new ATOM 0 HA SER A 77 -3.321 18.499 -7.344 1.00 0.00 H new ATOM 0 HB2 SER A 77 -2.710 17.706 -9.620 1.00 0.00 H new ATOM 0 HB3 SER A 77 -3.980 16.502 -9.536 1.00 0.00 H new ATOM 0 HG SER A 77 -4.667 18.426 -10.640 1.00 0.00 H new ATOM 1169 N GLY A 78 -5.354 17.913 -6.082 1.00 0.00 N ATOM 1170 CA GLY A 78 -6.614 17.669 -5.401 1.00 0.00 C ATOM 1171 C GLY A 78 -7.507 18.911 -5.437 1.00 0.00 C ATOM 1172 O GLY A 78 -8.565 18.901 -6.063 1.00 0.00 O ATOM 0 H GLY A 78 -4.848 18.737 -5.759 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -7.130 16.832 -5.872 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -6.423 17.384 -4.366 1.00 0.00 H new TER 1176 GLY A 78