USER MOD reduce.3.24.130724 H: found=0, std=0, add=456, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 452 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+ -126:sc= 0.125 (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 9 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 GLN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 THR OG1 : rot 51:sc= 1.19 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 HIS : no HD1:sc= -0.104 X(o=-0.1,f=-0.031) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot 177:sc= 1.06 USER MOD Single : A 43 THR OG1 : rot 170:sc= -0.0186 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 CYS SG : rot 180:sc= -0.0227 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 HIS : no HD1:sc= -0.654 X(o=-0.65,f=-0.45) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0.0131 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.325 0.000 0.000 1.00 0.00 N ATOM 2 CA GLY A 1 2.073 0.000 -1.245 1.00 0.00 C ATOM 3 C GLY A 1 1.242 -0.594 -2.385 1.00 0.00 C ATOM 4 O GLY A 1 0.060 -0.885 -2.209 1.00 0.00 O ATOM 0 H1 GLY A 1 1.313 0.961 0.398 1.00 0.00 H new ATOM 0 H2 GLY A 1 0.350 -0.312 -0.181 1.00 0.00 H new ATOM 0 H3 GLY A 1 1.776 -0.649 0.676 1.00 0.00 H new ATOM 0 HA2 GLY A 1 2.366 1.019 -1.497 1.00 0.00 H new ATOM 0 HA3 GLY A 1 2.991 -0.575 -1.122 1.00 0.00 H new ATOM 8 N SER A 2 1.893 -0.755 -3.528 1.00 0.00 N ATOM 9 CA SER A 2 1.228 -1.308 -4.695 1.00 0.00 C ATOM 10 C SER A 2 2.253 -1.982 -5.610 1.00 0.00 C ATOM 11 O SER A 2 2.147 -3.173 -5.896 1.00 0.00 O ATOM 12 CB SER A 2 0.466 -0.225 -5.460 1.00 0.00 C ATOM 13 OG SER A 2 -0.775 -0.705 -5.970 1.00 0.00 O ATOM 0 H SER A 2 2.873 -0.512 -3.670 1.00 0.00 H new ATOM 0 HA SER A 2 0.506 -2.052 -4.357 1.00 0.00 H new ATOM 0 HB2 SER A 2 0.283 0.624 -4.801 1.00 0.00 H new ATOM 0 HB3 SER A 2 1.081 0.138 -6.284 1.00 0.00 H new ATOM 0 HG SER A 2 -1.232 0.016 -6.450 1.00 0.00 H new ATOM 19 N SER A 3 3.223 -1.190 -6.044 1.00 0.00 N ATOM 20 CA SER A 3 4.266 -1.695 -6.920 1.00 0.00 C ATOM 21 C SER A 3 5.554 -0.895 -6.716 1.00 0.00 C ATOM 22 O SER A 3 5.713 0.186 -7.282 1.00 0.00 O ATOM 23 CB SER A 3 3.830 -1.636 -8.386 1.00 0.00 C ATOM 24 OG SER A 3 3.584 -2.933 -8.923 1.00 0.00 O ATOM 0 H SER A 3 3.308 -0.202 -5.805 1.00 0.00 H new ATOM 0 HA SER A 3 4.451 -2.739 -6.666 1.00 0.00 H new ATOM 0 HB2 SER A 3 2.927 -1.031 -8.472 1.00 0.00 H new ATOM 0 HB3 SER A 3 4.603 -1.141 -8.974 1.00 0.00 H new ATOM 0 HG SER A 3 3.307 -2.852 -9.859 1.00 0.00 H new ATOM 30 N GLY A 4 6.439 -1.456 -5.907 1.00 0.00 N ATOM 31 CA GLY A 4 7.708 -0.808 -5.621 1.00 0.00 C ATOM 32 C GLY A 4 7.504 0.446 -4.768 1.00 0.00 C ATOM 33 O GLY A 4 6.377 0.907 -4.597 1.00 0.00 O ATOM 0 H GLY A 4 6.303 -2.353 -5.440 1.00 0.00 H new ATOM 0 HA2 GLY A 4 8.366 -1.503 -5.100 1.00 0.00 H new ATOM 0 HA3 GLY A 4 8.202 -0.540 -6.555 1.00 0.00 H new ATOM 37 N SER A 5 8.612 0.961 -4.257 1.00 0.00 N ATOM 38 CA SER A 5 8.569 2.153 -3.426 1.00 0.00 C ATOM 39 C SER A 5 9.296 3.304 -4.123 1.00 0.00 C ATOM 40 O SER A 5 8.706 4.352 -4.379 1.00 0.00 O ATOM 41 CB SER A 5 9.187 1.889 -2.052 1.00 0.00 C ATOM 42 OG SER A 5 9.022 2.996 -1.170 1.00 0.00 O ATOM 0 H SER A 5 9.545 0.575 -4.402 1.00 0.00 H new ATOM 0 HA SER A 5 7.525 2.429 -3.278 1.00 0.00 H new ATOM 0 HB2 SER A 5 8.728 1.004 -1.612 1.00 0.00 H new ATOM 0 HB3 SER A 5 10.249 1.673 -2.168 1.00 0.00 H new ATOM 0 HG SER A 5 9.429 2.787 -0.303 1.00 0.00 H new ATOM 48 N SER A 6 10.568 3.070 -4.411 1.00 0.00 N ATOM 49 CA SER A 6 11.383 4.074 -5.074 1.00 0.00 C ATOM 50 C SER A 6 11.448 5.342 -4.220 1.00 0.00 C ATOM 51 O SER A 6 10.701 5.482 -3.253 1.00 0.00 O ATOM 52 CB SER A 6 10.833 4.398 -6.465 1.00 0.00 C ATOM 53 OG SER A 6 11.874 4.568 -7.424 1.00 0.00 O ATOM 0 H SER A 6 11.054 2.199 -4.197 1.00 0.00 H new ATOM 0 HA SER A 6 12.389 3.673 -5.195 1.00 0.00 H new ATOM 0 HB2 SER A 6 10.169 3.596 -6.788 1.00 0.00 H new ATOM 0 HB3 SER A 6 10.234 5.307 -6.415 1.00 0.00 H new ATOM 0 HG SER A 6 11.483 4.772 -8.299 1.00 0.00 H new ATOM 59 N GLY A 7 12.349 6.232 -4.608 1.00 0.00 N ATOM 60 CA GLY A 7 12.522 7.484 -3.890 1.00 0.00 C ATOM 61 C GLY A 7 13.949 8.012 -4.045 1.00 0.00 C ATOM 62 O GLY A 7 14.725 7.490 -4.844 1.00 0.00 O ATOM 0 H GLY A 7 12.967 6.111 -5.410 1.00 0.00 H new ATOM 0 HA2 GLY A 7 11.814 8.223 -4.265 1.00 0.00 H new ATOM 0 HA3 GLY A 7 12.298 7.336 -2.834 1.00 0.00 H new ATOM 66 N ARG A 8 14.253 9.041 -3.267 1.00 0.00 N ATOM 67 CA ARG A 8 15.573 9.645 -3.307 1.00 0.00 C ATOM 68 C ARG A 8 15.933 10.041 -4.741 1.00 0.00 C ATOM 69 O ARG A 8 16.570 9.272 -5.459 1.00 0.00 O ATOM 70 CB ARG A 8 16.635 8.685 -2.769 1.00 0.00 C ATOM 71 CG ARG A 8 16.590 8.618 -1.241 1.00 0.00 C ATOM 72 CD ARG A 8 16.674 7.170 -0.753 1.00 0.00 C ATOM 73 NE ARG A 8 18.008 6.910 -0.167 1.00 0.00 N ATOM 74 CZ ARG A 8 18.341 5.780 0.470 1.00 0.00 C ATOM 75 NH1 ARG A 8 17.440 4.798 0.608 1.00 0.00 N ATOM 76 NH2 ARG A 8 19.576 5.631 0.970 1.00 0.00 N ATOM 0 H ARG A 8 13.607 9.471 -2.605 1.00 0.00 H new ATOM 0 HA ARG A 8 15.550 10.533 -2.676 1.00 0.00 H new ATOM 0 HB2 ARG A 8 16.475 7.690 -3.185 1.00 0.00 H new ATOM 0 HB3 ARG A 8 17.623 9.011 -3.093 1.00 0.00 H new ATOM 0 HG2 ARG A 8 17.415 9.195 -0.824 1.00 0.00 H new ATOM 0 HG3 ARG A 8 15.668 9.074 -0.880 1.00 0.00 H new ATOM 0 HD2 ARG A 8 15.899 6.982 -0.010 1.00 0.00 H new ATOM 0 HD3 ARG A 8 16.493 6.487 -1.583 1.00 0.00 H new ATOM 0 HE ARG A 8 18.718 7.637 -0.254 1.00 0.00 H new ATOM 0 HH11 ARG A 8 16.500 4.911 0.228 1.00 0.00 H new ATOM 0 HH12 ARG A 8 17.694 3.937 1.093 1.00 0.00 H new ATOM 0 HH21 ARG A 8 20.262 6.378 0.865 1.00 0.00 H new ATOM 0 HH22 ARG A 8 19.829 4.770 1.455 1.00 0.00 H new ATOM 90 N ASN A 9 15.509 11.239 -5.115 1.00 0.00 N ATOM 91 CA ASN A 9 15.778 11.745 -6.450 1.00 0.00 C ATOM 92 C ASN A 9 16.612 13.025 -6.347 1.00 0.00 C ATOM 93 O ASN A 9 16.717 13.616 -5.273 1.00 0.00 O ATOM 94 CB ASN A 9 14.479 12.085 -7.182 1.00 0.00 C ATOM 95 CG ASN A 9 13.801 10.820 -7.711 1.00 0.00 C ATOM 96 OD1 ASN A 9 13.046 10.154 -7.021 1.00 0.00 O ATOM 97 ND2 ASN A 9 14.111 10.526 -8.971 1.00 0.00 N ATOM 0 H ASN A 9 14.981 11.874 -4.517 1.00 0.00 H new ATOM 0 HA ASN A 9 16.312 10.972 -7.003 1.00 0.00 H new ATOM 0 HB2 ASN A 9 13.803 12.609 -6.506 1.00 0.00 H new ATOM 0 HB3 ASN A 9 14.690 12.762 -8.010 1.00 0.00 H new ATOM 0 HD21 ASN A 9 13.710 9.700 -9.416 1.00 0.00 H new ATOM 0 HD22 ASN A 9 14.750 11.126 -9.492 1.00 0.00 H new ATOM 104 N ARG A 10 17.182 13.414 -7.477 1.00 0.00 N ATOM 105 CA ARG A 10 18.003 14.612 -7.528 1.00 0.00 C ATOM 106 C ARG A 10 17.713 15.400 -8.807 1.00 0.00 C ATOM 107 O ARG A 10 17.476 14.814 -9.862 1.00 0.00 O ATOM 108 CB ARG A 10 19.492 14.262 -7.479 1.00 0.00 C ATOM 109 CG ARG A 10 20.053 14.451 -6.068 1.00 0.00 C ATOM 110 CD ARG A 10 20.249 15.935 -5.750 1.00 0.00 C ATOM 111 NE ARG A 10 19.987 16.184 -4.315 1.00 0.00 N ATOM 112 CZ ARG A 10 20.840 15.871 -3.330 1.00 0.00 C ATOM 113 NH1 ARG A 10 22.015 15.295 -3.619 1.00 0.00 N ATOM 114 NH2 ARG A 10 20.518 16.134 -2.056 1.00 0.00 N ATOM 0 H ARG A 10 17.092 12.921 -8.365 1.00 0.00 H new ATOM 0 HA ARG A 10 17.756 15.221 -6.658 1.00 0.00 H new ATOM 0 HB2 ARG A 10 19.637 13.230 -7.797 1.00 0.00 H new ATOM 0 HB3 ARG A 10 20.041 14.891 -8.180 1.00 0.00 H new ATOM 0 HG2 ARG A 10 19.374 14.006 -5.340 1.00 0.00 H new ATOM 0 HG3 ARG A 10 21.005 13.927 -5.978 1.00 0.00 H new ATOM 0 HD2 ARG A 10 21.266 16.238 -6.000 1.00 0.00 H new ATOM 0 HD3 ARG A 10 19.577 16.538 -6.361 1.00 0.00 H new ATOM 0 HE ARG A 10 19.102 16.621 -4.060 1.00 0.00 H new ATOM 0 HH11 ARG A 10 22.260 15.095 -4.589 1.00 0.00 H new ATOM 0 HH12 ARG A 10 22.664 15.057 -2.869 1.00 0.00 H new ATOM 0 HH21 ARG A 10 19.624 16.572 -1.836 1.00 0.00 H new ATOM 0 HH22 ARG A 10 21.167 15.896 -1.306 1.00 0.00 H new ATOM 128 N GLN A 11 17.741 16.718 -8.670 1.00 0.00 N ATOM 129 CA GLN A 11 17.484 17.593 -9.802 1.00 0.00 C ATOM 130 C GLN A 11 18.802 18.097 -10.393 1.00 0.00 C ATOM 131 O GLN A 11 18.960 18.149 -11.611 1.00 0.00 O ATOM 132 CB GLN A 11 16.581 18.760 -9.398 1.00 0.00 C ATOM 133 CG GLN A 11 17.362 19.808 -8.603 1.00 0.00 C ATOM 134 CD GLN A 11 16.416 20.820 -7.953 1.00 0.00 C ATOM 135 OE1 GLN A 11 15.262 20.956 -8.322 1.00 0.00 O ATOM 136 NE2 GLN A 11 16.969 21.520 -6.966 1.00 0.00 N ATOM 0 H GLN A 11 17.938 17.201 -7.793 1.00 0.00 H new ATOM 0 HA GLN A 11 16.961 17.021 -10.568 1.00 0.00 H new ATOM 0 HB2 GLN A 11 16.153 19.219 -10.289 1.00 0.00 H new ATOM 0 HB3 GLN A 11 15.749 18.390 -8.799 1.00 0.00 H new ATOM 0 HG2 GLN A 11 17.958 19.317 -7.834 1.00 0.00 H new ATOM 0 HG3 GLN A 11 18.057 20.327 -9.263 1.00 0.00 H new ATOM 0 HE21 GLN A 11 17.942 21.356 -6.707 1.00 0.00 H new ATOM 0 HE22 GLN A 11 16.420 22.221 -6.468 1.00 0.00 H new ATOM 145 N GLN A 12 19.713 18.457 -9.501 1.00 0.00 N ATOM 146 CA GLN A 12 21.012 18.956 -9.919 1.00 0.00 C ATOM 147 C GLN A 12 20.844 20.128 -10.888 1.00 0.00 C ATOM 148 O GLN A 12 20.646 19.924 -12.085 1.00 0.00 O ATOM 149 CB GLN A 12 21.852 17.842 -10.546 1.00 0.00 C ATOM 150 CG GLN A 12 23.285 17.867 -10.010 1.00 0.00 C ATOM 151 CD GLN A 12 23.752 16.461 -9.629 1.00 0.00 C ATOM 152 OE1 GLN A 12 24.241 15.698 -10.446 1.00 0.00 O ATOM 153 NE2 GLN A 12 23.576 16.161 -8.345 1.00 0.00 N ATOM 0 H GLN A 12 19.577 18.413 -8.491 1.00 0.00 H new ATOM 0 HA GLN A 12 21.543 19.313 -9.037 1.00 0.00 H new ATOM 0 HB2 GLN A 12 21.397 16.875 -10.333 1.00 0.00 H new ATOM 0 HB3 GLN A 12 21.863 17.957 -11.630 1.00 0.00 H new ATOM 0 HG2 GLN A 12 23.952 18.284 -10.765 1.00 0.00 H new ATOM 0 HG3 GLN A 12 23.340 18.521 -9.140 1.00 0.00 H new ATOM 0 HE21 GLN A 12 23.160 16.846 -7.714 1.00 0.00 H new ATOM 0 HE22 GLN A 12 23.857 15.246 -7.992 1.00 0.00 H new ATOM 162 N ARG A 13 20.930 21.329 -10.336 1.00 0.00 N ATOM 163 CA ARG A 13 20.789 22.533 -11.137 1.00 0.00 C ATOM 164 C ARG A 13 21.935 23.504 -10.841 1.00 0.00 C ATOM 165 O ARG A 13 22.449 23.541 -9.724 1.00 0.00 O ATOM 166 CB ARG A 13 19.456 23.229 -10.856 1.00 0.00 C ATOM 167 CG ARG A 13 18.509 23.102 -12.052 1.00 0.00 C ATOM 168 CD ARG A 13 17.137 23.696 -11.730 1.00 0.00 C ATOM 169 NE ARG A 13 17.170 25.166 -11.897 1.00 0.00 N ATOM 170 CZ ARG A 13 16.082 25.949 -11.884 1.00 0.00 C ATOM 171 NH1 ARG A 13 14.869 25.407 -11.712 1.00 0.00 N ATOM 172 NH2 ARG A 13 16.208 27.273 -12.044 1.00 0.00 N ATOM 0 H ARG A 13 21.096 21.494 -9.343 1.00 0.00 H new ATOM 0 HA ARG A 13 20.818 22.239 -12.186 1.00 0.00 H new ATOM 0 HB2 ARG A 13 18.992 22.791 -9.972 1.00 0.00 H new ATOM 0 HB3 ARG A 13 19.631 24.282 -10.636 1.00 0.00 H new ATOM 0 HG2 ARG A 13 18.937 23.612 -12.915 1.00 0.00 H new ATOM 0 HG3 ARG A 13 18.400 22.052 -12.324 1.00 0.00 H new ATOM 0 HD2 ARG A 13 16.381 23.264 -12.386 1.00 0.00 H new ATOM 0 HD3 ARG A 13 16.853 23.444 -10.708 1.00 0.00 H new ATOM 0 HE ARG A 13 18.078 25.612 -12.030 1.00 0.00 H new ATOM 0 HH11 ARG A 13 14.773 24.399 -11.591 1.00 0.00 H new ATOM 0 HH12 ARG A 13 14.041 26.003 -11.702 1.00 0.00 H new ATOM 0 HH21 ARG A 13 17.132 27.685 -12.176 1.00 0.00 H new ATOM 0 HH22 ARG A 13 15.380 27.869 -12.034 1.00 0.00 H new ATOM 186 N PRO A 14 22.311 24.285 -11.889 1.00 0.00 N ATOM 187 CA PRO A 14 23.386 25.253 -11.753 1.00 0.00 C ATOM 188 C PRO A 14 22.924 26.478 -10.960 1.00 0.00 C ATOM 189 O PRO A 14 21.913 27.093 -11.295 1.00 0.00 O ATOM 190 CB PRO A 14 23.797 25.588 -13.177 1.00 0.00 C ATOM 191 CG PRO A 14 22.636 25.154 -14.058 1.00 0.00 C ATOM 192 CD PRO A 14 21.724 24.268 -13.226 1.00 0.00 C ATOM 0 HA PRO A 14 24.234 24.863 -11.189 1.00 0.00 H new ATOM 0 HB2 PRO A 14 23.993 26.655 -13.286 1.00 0.00 H new ATOM 0 HB3 PRO A 14 24.713 25.066 -13.452 1.00 0.00 H new ATOM 0 HG2 PRO A 14 22.091 26.023 -14.427 1.00 0.00 H new ATOM 0 HG3 PRO A 14 23.001 24.613 -14.931 1.00 0.00 H new ATOM 0 HD2 PRO A 14 20.703 24.650 -13.215 1.00 0.00 H new ATOM 0 HD3 PRO A 14 21.682 23.255 -13.627 1.00 0.00 H new ATOM 200 N GLY A 15 23.687 26.794 -9.924 1.00 0.00 N ATOM 201 CA GLY A 15 23.368 27.934 -9.081 1.00 0.00 C ATOM 202 C GLY A 15 24.525 28.935 -9.052 1.00 0.00 C ATOM 203 O GLY A 15 25.633 28.596 -8.638 1.00 0.00 O ATOM 0 H GLY A 15 24.525 26.281 -9.649 1.00 0.00 H new ATOM 0 HA2 GLY A 15 22.468 28.424 -9.451 1.00 0.00 H new ATOM 0 HA3 GLY A 15 23.152 27.593 -8.069 1.00 0.00 H new ATOM 207 N THR A 16 24.229 30.147 -9.497 1.00 0.00 N ATOM 208 CA THR A 16 25.231 31.199 -9.527 1.00 0.00 C ATOM 209 C THR A 16 24.676 32.482 -8.904 1.00 0.00 C ATOM 210 O THR A 16 24.044 33.285 -9.587 1.00 0.00 O ATOM 211 CB THR A 16 25.687 31.376 -10.976 1.00 0.00 C ATOM 212 OG1 THR A 16 24.513 31.805 -11.660 1.00 0.00 O ATOM 213 CG2 THR A 16 26.042 30.046 -11.645 1.00 0.00 C ATOM 0 H THR A 16 23.309 30.424 -9.840 1.00 0.00 H new ATOM 0 HA THR A 16 26.101 30.933 -8.927 1.00 0.00 H new ATOM 0 HB THR A 16 26.551 32.040 -11.005 1.00 0.00 H new ATOM 0 HG1 THR A 16 24.113 32.561 -11.181 1.00 0.00 H new ATOM 0 HG21 THR A 16 26.359 30.228 -12.672 1.00 0.00 H new ATOM 0 HG22 THR A 16 26.852 29.567 -11.095 1.00 0.00 H new ATOM 0 HG23 THR A 16 25.168 29.394 -11.646 1.00 0.00 H new ATOM 221 N ILE A 17 24.933 32.633 -7.613 1.00 0.00 N ATOM 222 CA ILE A 17 24.467 33.805 -6.890 1.00 0.00 C ATOM 223 C ILE A 17 25.667 34.674 -6.509 1.00 0.00 C ATOM 224 O ILE A 17 25.598 35.900 -6.581 1.00 0.00 O ATOM 225 CB ILE A 17 23.605 33.390 -5.696 1.00 0.00 C ATOM 226 CG1 ILE A 17 22.656 34.518 -5.286 1.00 0.00 C ATOM 227 CG2 ILE A 17 24.475 32.920 -4.528 1.00 0.00 C ATOM 228 CD1 ILE A 17 21.309 33.960 -4.822 1.00 0.00 C ATOM 0 H ILE A 17 25.457 31.964 -7.049 1.00 0.00 H new ATOM 0 HA ILE A 17 23.821 34.412 -7.524 1.00 0.00 H new ATOM 0 HB ILE A 17 22.988 32.544 -5.999 1.00 0.00 H new ATOM 0 HG12 ILE A 17 23.106 35.104 -4.485 1.00 0.00 H new ATOM 0 HG13 ILE A 17 22.503 35.194 -6.128 1.00 0.00 H new ATOM 0 HG21 ILE A 17 23.837 32.631 -3.693 1.00 0.00 H new ATOM 0 HG22 ILE A 17 25.073 32.064 -4.841 1.00 0.00 H new ATOM 0 HG23 ILE A 17 25.135 33.730 -4.217 1.00 0.00 H new ATOM 0 HD11 ILE A 17 20.653 34.783 -4.536 1.00 0.00 H new ATOM 0 HD12 ILE A 17 20.850 33.395 -5.634 1.00 0.00 H new ATOM 0 HD13 ILE A 17 21.463 33.304 -3.965 1.00 0.00 H new ATOM 240 N LYS A 18 26.740 34.005 -6.112 1.00 0.00 N ATOM 241 CA LYS A 18 27.953 34.701 -5.719 1.00 0.00 C ATOM 242 C LYS A 18 29.166 33.965 -6.291 1.00 0.00 C ATOM 243 O LYS A 18 29.814 33.189 -5.590 1.00 0.00 O ATOM 244 CB LYS A 18 28.002 34.879 -4.200 1.00 0.00 C ATOM 245 CG LYS A 18 27.146 36.068 -3.760 1.00 0.00 C ATOM 246 CD LYS A 18 26.464 35.786 -2.419 1.00 0.00 C ATOM 247 CE LYS A 18 27.137 36.565 -1.287 1.00 0.00 C ATOM 248 NZ LYS A 18 26.137 37.353 -0.534 1.00 0.00 N ATOM 0 H LYS A 18 26.794 32.988 -6.054 1.00 0.00 H new ATOM 0 HA LYS A 18 27.965 35.709 -6.135 1.00 0.00 H new ATOM 0 HB2 LYS A 18 27.648 33.971 -3.712 1.00 0.00 H new ATOM 0 HB3 LYS A 18 29.033 35.031 -3.881 1.00 0.00 H new ATOM 0 HG2 LYS A 18 27.770 36.958 -3.675 1.00 0.00 H new ATOM 0 HG3 LYS A 18 26.392 36.278 -4.518 1.00 0.00 H new ATOM 0 HD2 LYS A 18 25.411 36.060 -2.478 1.00 0.00 H new ATOM 0 HD3 LYS A 18 26.504 34.718 -2.204 1.00 0.00 H new ATOM 0 HE2 LYS A 18 27.645 35.874 -0.614 1.00 0.00 H new ATOM 0 HE3 LYS A 18 27.898 37.229 -1.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 26.611 37.875 0.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 25.670 38.026 -1.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 25.426 36.713 -0.127 1.00 0.00 H new ATOM 262 N HIS A 19 29.437 34.233 -7.560 1.00 0.00 N ATOM 263 CA HIS A 19 30.561 33.606 -8.235 1.00 0.00 C ATOM 264 C HIS A 19 30.411 32.084 -8.174 1.00 0.00 C ATOM 265 O HIS A 19 29.602 31.567 -7.406 1.00 0.00 O ATOM 266 CB HIS A 19 31.887 34.095 -7.650 1.00 0.00 C ATOM 267 CG HIS A 19 32.433 35.335 -8.317 1.00 0.00 C ATOM 268 ND1 HIS A 19 33.715 35.804 -8.093 1.00 0.00 N ATOM 269 CD2 HIS A 19 31.857 36.196 -9.203 1.00 0.00 C ATOM 270 CE1 HIS A 19 33.892 36.900 -8.817 1.00 0.00 C ATOM 271 NE2 HIS A 19 32.739 37.141 -9.504 1.00 0.00 N ATOM 0 H HIS A 19 28.897 34.876 -8.139 1.00 0.00 H new ATOM 0 HA HIS A 19 30.566 33.894 -9.286 1.00 0.00 H new ATOM 0 HB2 HIS A 19 31.751 34.296 -6.587 1.00 0.00 H new ATOM 0 HB3 HIS A 19 32.625 33.297 -7.731 1.00 0.00 H new ATOM 0 HD2 HIS A 19 30.853 36.122 -9.594 1.00 0.00 H new ATOM 0 HE1 HIS A 19 34.791 37.497 -8.856 1.00 0.00 H new ATOM 0 HE2 HIS A 19 32.580 37.919 -10.144 1.00 0.00 H new ATOM 279 N GLY A 20 31.204 31.411 -8.995 1.00 0.00 N ATOM 280 CA GLY A 20 31.170 29.959 -9.045 1.00 0.00 C ATOM 281 C GLY A 20 32.361 29.409 -9.831 1.00 0.00 C ATOM 282 O GLY A 20 32.195 28.887 -10.933 1.00 0.00 O ATOM 0 H GLY A 20 31.874 31.844 -9.631 1.00 0.00 H new ATOM 0 HA2 GLY A 20 31.181 29.556 -8.032 1.00 0.00 H new ATOM 0 HA3 GLY A 20 30.240 29.629 -9.509 1.00 0.00 H new ATOM 286 N SER A 21 33.537 29.546 -9.235 1.00 0.00 N ATOM 287 CA SER A 21 34.756 29.069 -9.866 1.00 0.00 C ATOM 288 C SER A 21 34.597 27.601 -10.268 1.00 0.00 C ATOM 289 O SER A 21 33.987 26.817 -9.543 1.00 0.00 O ATOM 290 CB SER A 21 35.959 29.237 -8.936 1.00 0.00 C ATOM 291 OG SER A 21 36.147 30.595 -8.546 1.00 0.00 O ATOM 0 H SER A 21 33.671 29.980 -8.322 1.00 0.00 H new ATOM 0 HA SER A 21 34.935 29.667 -10.760 1.00 0.00 H new ATOM 0 HB2 SER A 21 35.819 28.621 -8.048 1.00 0.00 H new ATOM 0 HB3 SER A 21 36.857 28.876 -9.437 1.00 0.00 H new ATOM 0 HG SER A 21 36.923 30.660 -7.952 1.00 0.00 H new ATOM 297 N ALA A 22 35.157 27.274 -11.424 1.00 0.00 N ATOM 298 CA ALA A 22 35.085 25.915 -11.932 1.00 0.00 C ATOM 299 C ALA A 22 35.299 24.932 -10.779 1.00 0.00 C ATOM 300 O ALA A 22 34.679 23.870 -10.740 1.00 0.00 O ATOM 301 CB ALA A 22 36.113 25.733 -13.051 1.00 0.00 C ATOM 0 H ALA A 22 35.662 27.927 -12.023 1.00 0.00 H new ATOM 0 HA ALA A 22 34.101 25.716 -12.357 1.00 0.00 H new ATOM 0 HB1 ALA A 22 36.059 24.713 -13.432 1.00 0.00 H new ATOM 0 HB2 ALA A 22 35.900 26.434 -13.858 1.00 0.00 H new ATOM 0 HB3 ALA A 22 37.113 25.922 -12.661 1.00 0.00 H new ATOM 307 N LEU A 23 36.178 25.321 -9.867 1.00 0.00 N ATOM 308 CA LEU A 23 36.481 24.488 -8.716 1.00 0.00 C ATOM 309 C LEU A 23 35.324 24.566 -7.717 1.00 0.00 C ATOM 310 O LEU A 23 34.840 23.540 -7.242 1.00 0.00 O ATOM 311 CB LEU A 23 37.836 24.872 -8.118 1.00 0.00 C ATOM 312 CG LEU A 23 38.044 24.516 -6.645 1.00 0.00 C ATOM 313 CD1 LEU A 23 37.810 23.024 -6.403 1.00 0.00 C ATOM 314 CD2 LEU A 23 39.425 24.966 -6.162 1.00 0.00 C ATOM 0 H LEU A 23 36.690 26.202 -9.902 1.00 0.00 H new ATOM 0 HA LEU A 23 36.575 23.444 -9.016 1.00 0.00 H new ATOM 0 HB2 LEU A 23 38.619 24.388 -8.702 1.00 0.00 H new ATOM 0 HB3 LEU A 23 37.970 25.947 -8.234 1.00 0.00 H new ATOM 0 HG LEU A 23 37.304 25.057 -6.055 1.00 0.00 H new ATOM 0 HD11 LEU A 23 37.964 22.798 -5.348 1.00 0.00 H new ATOM 0 HD12 LEU A 23 36.789 22.766 -6.684 1.00 0.00 H new ATOM 0 HD13 LEU A 23 38.510 22.444 -7.005 1.00 0.00 H new ATOM 0 HD21 LEU A 23 39.547 24.701 -5.112 1.00 0.00 H new ATOM 0 HD22 LEU A 23 40.196 24.472 -6.753 1.00 0.00 H new ATOM 0 HD23 LEU A 23 39.516 26.046 -6.277 1.00 0.00 H new ATOM 326 N ASP A 24 34.915 25.792 -7.428 1.00 0.00 N ATOM 327 CA ASP A 24 33.825 26.017 -6.495 1.00 0.00 C ATOM 328 C ASP A 24 32.577 25.280 -6.987 1.00 0.00 C ATOM 329 O ASP A 24 31.705 24.931 -6.194 1.00 0.00 O ATOM 330 CB ASP A 24 33.485 27.505 -6.392 1.00 0.00 C ATOM 331 CG ASP A 24 33.755 28.137 -5.025 1.00 0.00 C ATOM 332 OD1 ASP A 24 33.071 27.724 -4.064 1.00 0.00 O ATOM 333 OD2 ASP A 24 34.639 29.019 -4.972 1.00 0.00 O ATOM 0 H ASP A 24 35.319 26.641 -7.824 1.00 0.00 H new ATOM 0 HA ASP A 24 34.138 25.650 -5.517 1.00 0.00 H new ATOM 0 HB2 ASP A 24 34.058 28.046 -7.145 1.00 0.00 H new ATOM 0 HB3 ASP A 24 32.431 27.639 -6.636 1.00 0.00 H new ATOM 338 N VAL A 25 32.533 25.066 -8.294 1.00 0.00 N ATOM 339 CA VAL A 25 31.407 24.378 -8.902 1.00 0.00 C ATOM 340 C VAL A 25 31.426 22.907 -8.480 1.00 0.00 C ATOM 341 O VAL A 25 30.460 22.410 -7.904 1.00 0.00 O ATOM 342 CB VAL A 25 31.437 24.565 -10.420 1.00 0.00 C ATOM 343 CG1 VAL A 25 30.446 23.624 -11.108 1.00 0.00 C ATOM 344 CG2 VAL A 25 31.163 26.022 -10.798 1.00 0.00 C ATOM 0 H VAL A 25 33.259 25.357 -8.949 1.00 0.00 H new ATOM 0 HA VAL A 25 30.466 24.804 -8.554 1.00 0.00 H new ATOM 0 HB VAL A 25 32.438 24.311 -10.769 1.00 0.00 H new ATOM 0 HG11 VAL A 25 30.487 23.777 -12.186 1.00 0.00 H new ATOM 0 HG12 VAL A 25 30.706 22.591 -10.878 1.00 0.00 H new ATOM 0 HG13 VAL A 25 29.438 23.833 -10.750 1.00 0.00 H new ATOM 0 HG21 VAL A 25 31.190 26.128 -11.883 1.00 0.00 H new ATOM 0 HG22 VAL A 25 30.180 26.315 -10.429 1.00 0.00 H new ATOM 0 HG23 VAL A 25 31.924 26.663 -10.352 1.00 0.00 H new ATOM 354 N LEU A 26 32.538 22.252 -8.784 1.00 0.00 N ATOM 355 CA LEU A 26 32.696 20.848 -8.443 1.00 0.00 C ATOM 356 C LEU A 26 32.381 20.649 -6.959 1.00 0.00 C ATOM 357 O LEU A 26 31.779 19.647 -6.578 1.00 0.00 O ATOM 358 CB LEU A 26 34.084 20.351 -8.850 1.00 0.00 C ATOM 359 CG LEU A 26 34.293 20.092 -10.344 1.00 0.00 C ATOM 360 CD1 LEU A 26 35.697 20.514 -10.782 1.00 0.00 C ATOM 361 CD2 LEU A 26 33.997 18.633 -10.694 1.00 0.00 C ATOM 0 H LEU A 26 33.337 22.668 -9.262 1.00 0.00 H new ATOM 0 HA LEU A 26 31.988 20.238 -9.003 1.00 0.00 H new ATOM 0 HB2 LEU A 26 34.821 21.084 -8.522 1.00 0.00 H new ATOM 0 HB3 LEU A 26 34.290 19.427 -8.309 1.00 0.00 H new ATOM 0 HG LEU A 26 33.584 20.706 -10.900 1.00 0.00 H new ATOM 0 HD11 LEU A 26 35.820 20.319 -11.847 1.00 0.00 H new ATOM 0 HD12 LEU A 26 35.834 21.578 -10.589 1.00 0.00 H new ATOM 0 HD13 LEU A 26 36.439 19.945 -10.222 1.00 0.00 H new ATOM 0 HD21 LEU A 26 34.153 18.476 -11.761 1.00 0.00 H new ATOM 0 HD22 LEU A 26 34.664 17.981 -10.130 1.00 0.00 H new ATOM 0 HD23 LEU A 26 32.963 18.401 -10.441 1.00 0.00 H new ATOM 373 N LEU A 27 32.804 21.620 -6.162 1.00 0.00 N ATOM 374 CA LEU A 27 32.576 21.563 -4.729 1.00 0.00 C ATOM 375 C LEU A 27 31.072 21.470 -4.460 1.00 0.00 C ATOM 376 O LEU A 27 30.642 20.741 -3.567 1.00 0.00 O ATOM 377 CB LEU A 27 33.253 22.745 -4.031 1.00 0.00 C ATOM 378 CG LEU A 27 34.780 22.789 -4.117 1.00 0.00 C ATOM 379 CD1 LEU A 27 35.331 24.049 -3.448 1.00 0.00 C ATOM 380 CD2 LEU A 27 35.399 21.515 -3.538 1.00 0.00 C ATOM 0 H LEU A 27 33.303 22.450 -6.482 1.00 0.00 H new ATOM 0 HA LEU A 27 33.033 20.668 -4.306 1.00 0.00 H new ATOM 0 HB2 LEU A 27 32.858 23.668 -4.457 1.00 0.00 H new ATOM 0 HB3 LEU A 27 32.968 22.732 -2.979 1.00 0.00 H new ATOM 0 HG LEU A 27 35.061 22.834 -5.169 1.00 0.00 H new ATOM 0 HD11 LEU A 27 36.418 24.055 -3.523 1.00 0.00 H new ATOM 0 HD12 LEU A 27 34.928 24.931 -3.945 1.00 0.00 H new ATOM 0 HD13 LEU A 27 35.040 24.060 -2.398 1.00 0.00 H new ATOM 0 HD21 LEU A 27 36.485 21.572 -3.612 1.00 0.00 H new ATOM 0 HD22 LEU A 27 35.111 21.414 -2.492 1.00 0.00 H new ATOM 0 HD23 LEU A 27 35.043 20.650 -4.098 1.00 0.00 H new ATOM 392 N SER A 28 30.315 22.219 -5.247 1.00 0.00 N ATOM 393 CA SER A 28 28.869 22.230 -5.105 1.00 0.00 C ATOM 394 C SER A 28 28.295 20.866 -5.492 1.00 0.00 C ATOM 395 O SER A 28 27.319 20.409 -4.900 1.00 0.00 O ATOM 396 CB SER A 28 28.240 23.333 -5.960 1.00 0.00 C ATOM 397 OG SER A 28 27.316 24.123 -5.216 1.00 0.00 O ATOM 0 H SER A 28 30.676 22.823 -5.986 1.00 0.00 H new ATOM 0 HA SER A 28 28.629 22.435 -4.062 1.00 0.00 H new ATOM 0 HB2 SER A 28 29.025 23.974 -6.360 1.00 0.00 H new ATOM 0 HB3 SER A 28 27.730 22.885 -6.812 1.00 0.00 H new ATOM 0 HG SER A 28 26.938 24.817 -5.796 1.00 0.00 H new ATOM 403 N MET A 29 28.925 20.254 -6.484 1.00 0.00 N ATOM 404 CA MET A 29 28.489 18.951 -6.957 1.00 0.00 C ATOM 405 C MET A 29 28.655 17.889 -5.869 1.00 0.00 C ATOM 406 O MET A 29 27.950 16.881 -5.867 1.00 0.00 O ATOM 407 CB MET A 29 29.307 18.555 -8.188 1.00 0.00 C ATOM 408 CG MET A 29 28.825 19.304 -9.432 1.00 0.00 C ATOM 409 SD MET A 29 28.793 18.200 -10.834 1.00 0.00 S ATOM 410 CE MET A 29 29.230 19.341 -12.136 1.00 0.00 C ATOM 0 H MET A 29 29.734 20.636 -6.973 1.00 0.00 H new ATOM 0 HA MET A 29 27.432 19.014 -7.217 1.00 0.00 H new ATOM 0 HB2 MET A 29 30.361 18.773 -8.014 1.00 0.00 H new ATOM 0 HB3 MET A 29 29.226 17.480 -8.352 1.00 0.00 H new ATOM 0 HG2 MET A 29 27.830 19.713 -9.258 1.00 0.00 H new ATOM 0 HG3 MET A 29 29.485 20.147 -9.637 1.00 0.00 H new ATOM 0 HE1 MET A 29 29.256 18.813 -13.089 1.00 0.00 H new ATOM 0 HE2 MET A 29 28.490 20.139 -12.184 1.00 0.00 H new ATOM 0 HE3 MET A 29 30.212 19.768 -11.931 1.00 0.00 H new ATOM 420 N GLY A 30 29.592 18.151 -4.969 1.00 0.00 N ATOM 421 CA GLY A 30 29.860 17.230 -3.878 1.00 0.00 C ATOM 422 C GLY A 30 31.261 16.628 -4.000 1.00 0.00 C ATOM 423 O GLY A 30 31.512 15.526 -3.515 1.00 0.00 O ATOM 0 H GLY A 30 30.175 18.988 -4.973 1.00 0.00 H new ATOM 0 HA2 GLY A 30 29.766 17.752 -2.926 1.00 0.00 H new ATOM 0 HA3 GLY A 30 29.116 16.433 -3.879 1.00 0.00 H new ATOM 427 N PHE A 31 32.138 17.379 -4.649 1.00 0.00 N ATOM 428 CA PHE A 31 33.508 16.934 -4.841 1.00 0.00 C ATOM 429 C PHE A 31 34.473 17.738 -3.967 1.00 0.00 C ATOM 430 O PHE A 31 34.267 18.929 -3.741 1.00 0.00 O ATOM 431 CB PHE A 31 33.854 17.171 -6.312 1.00 0.00 C ATOM 432 CG PHE A 31 33.191 16.182 -7.274 1.00 0.00 C ATOM 433 CD1 PHE A 31 31.881 16.331 -7.606 1.00 0.00 C ATOM 434 CD2 PHE A 31 33.913 15.154 -7.796 1.00 0.00 C ATOM 435 CE1 PHE A 31 31.266 15.414 -8.498 1.00 0.00 C ATOM 436 CE2 PHE A 31 33.298 14.237 -8.689 1.00 0.00 C ATOM 437 CZ PHE A 31 31.987 14.386 -9.021 1.00 0.00 C ATOM 0 H PHE A 31 31.927 18.293 -5.049 1.00 0.00 H new ATOM 0 HA PHE A 31 33.599 15.883 -4.566 1.00 0.00 H new ATOM 0 HB2 PHE A 31 33.557 18.183 -6.586 1.00 0.00 H new ATOM 0 HB3 PHE A 31 34.935 17.112 -6.434 1.00 0.00 H new ATOM 0 HD1 PHE A 31 31.308 17.147 -7.191 1.00 0.00 H new ATOM 0 HD2 PHE A 31 34.953 15.035 -7.531 1.00 0.00 H new ATOM 0 HE1 PHE A 31 30.225 15.533 -8.761 1.00 0.00 H new ATOM 0 HE2 PHE A 31 33.871 13.421 -9.105 1.00 0.00 H new ATOM 0 HZ PHE A 31 31.519 13.688 -9.700 1.00 0.00 H new ATOM 447 N PRO A 32 35.534 17.036 -3.487 1.00 0.00 N ATOM 448 CA PRO A 32 36.532 17.671 -2.643 1.00 0.00 C ATOM 449 C PRO A 32 37.456 18.570 -3.467 1.00 0.00 C ATOM 450 O PRO A 32 37.814 18.230 -4.594 1.00 0.00 O ATOM 451 CB PRO A 32 37.266 16.523 -1.969 1.00 0.00 C ATOM 452 CG PRO A 32 36.968 15.290 -2.806 1.00 0.00 C ATOM 453 CD PRO A 32 35.811 15.624 -3.733 1.00 0.00 C ATOM 0 HA PRO A 32 36.092 18.336 -1.900 1.00 0.00 H new ATOM 0 HB2 PRO A 32 38.338 16.716 -1.926 1.00 0.00 H new ATOM 0 HB3 PRO A 32 36.925 16.390 -0.942 1.00 0.00 H new ATOM 0 HG2 PRO A 32 37.846 14.998 -3.382 1.00 0.00 H new ATOM 0 HG3 PRO A 32 36.712 14.446 -2.165 1.00 0.00 H new ATOM 0 HD2 PRO A 32 36.076 15.448 -4.776 1.00 0.00 H new ATOM 0 HD3 PRO A 32 34.939 15.006 -3.517 1.00 0.00 H new ATOM 461 N ARG A 33 37.815 19.698 -2.873 1.00 0.00 N ATOM 462 CA ARG A 33 38.691 20.648 -3.539 1.00 0.00 C ATOM 463 C ARG A 33 39.885 19.923 -4.161 1.00 0.00 C ATOM 464 O ARG A 33 40.247 20.186 -5.307 1.00 0.00 O ATOM 465 CB ARG A 33 39.200 21.707 -2.559 1.00 0.00 C ATOM 466 CG ARG A 33 39.709 22.943 -3.304 1.00 0.00 C ATOM 467 CD ARG A 33 40.376 23.928 -2.341 1.00 0.00 C ATOM 468 NE ARG A 33 39.353 24.794 -1.714 1.00 0.00 N ATOM 469 CZ ARG A 33 38.888 25.925 -2.263 1.00 0.00 C ATOM 470 NH1 ARG A 33 39.352 26.333 -3.452 1.00 0.00 N ATOM 471 NH2 ARG A 33 37.960 26.649 -1.622 1.00 0.00 N ATOM 0 H ARG A 33 37.516 19.976 -1.938 1.00 0.00 H new ATOM 0 HA ARG A 33 38.113 21.140 -4.321 1.00 0.00 H new ATOM 0 HB2 ARG A 33 38.398 21.993 -1.878 1.00 0.00 H new ATOM 0 HB3 ARG A 33 40.002 21.289 -1.950 1.00 0.00 H new ATOM 0 HG2 ARG A 33 40.421 22.641 -4.072 1.00 0.00 H new ATOM 0 HG3 ARG A 33 38.879 23.432 -3.813 1.00 0.00 H new ATOM 0 HD2 ARG A 33 40.924 23.383 -1.572 1.00 0.00 H new ATOM 0 HD3 ARG A 33 41.102 24.539 -2.878 1.00 0.00 H new ATOM 0 HE ARG A 33 38.978 24.513 -0.808 1.00 0.00 H new ATOM 0 HH11 ARG A 33 40.059 25.783 -3.940 1.00 0.00 H new ATOM 0 HH12 ARG A 33 38.998 27.194 -3.870 1.00 0.00 H new ATOM 0 HH21 ARG A 33 37.608 26.339 -0.716 1.00 0.00 H new ATOM 0 HH22 ARG A 33 37.606 27.510 -2.040 1.00 0.00 H new ATOM 485 N ALA A 34 40.465 19.024 -3.379 1.00 0.00 N ATOM 486 CA ALA A 34 41.611 18.259 -3.840 1.00 0.00 C ATOM 487 C ALA A 34 41.266 17.580 -5.167 1.00 0.00 C ATOM 488 O ALA A 34 41.841 17.907 -6.204 1.00 0.00 O ATOM 489 CB ALA A 34 42.021 17.255 -2.761 1.00 0.00 C ATOM 0 H ALA A 34 40.163 18.808 -2.429 1.00 0.00 H new ATOM 0 HA ALA A 34 42.464 18.914 -4.017 1.00 0.00 H new ATOM 0 HB1 ALA A 34 42.881 16.681 -3.106 1.00 0.00 H new ATOM 0 HB2 ALA A 34 42.284 17.789 -1.848 1.00 0.00 H new ATOM 0 HB3 ALA A 34 41.190 16.579 -2.559 1.00 0.00 H new ATOM 495 N ARG A 35 40.328 16.647 -5.092 1.00 0.00 N ATOM 496 CA ARG A 35 39.899 15.920 -6.274 1.00 0.00 C ATOM 497 C ARG A 35 39.782 16.869 -7.468 1.00 0.00 C ATOM 498 O ARG A 35 40.393 16.640 -8.511 1.00 0.00 O ATOM 499 CB ARG A 35 38.551 15.235 -6.041 1.00 0.00 C ATOM 500 CG ARG A 35 38.743 13.817 -5.500 1.00 0.00 C ATOM 501 CD ARG A 35 38.741 12.792 -6.635 1.00 0.00 C ATOM 502 NE ARG A 35 39.613 11.648 -6.286 1.00 0.00 N ATOM 503 CZ ARG A 35 40.935 11.618 -6.503 1.00 0.00 C ATOM 504 NH1 ARG A 35 41.545 12.667 -7.070 1.00 0.00 N ATOM 505 NH2 ARG A 35 41.647 10.537 -6.154 1.00 0.00 N ATOM 0 H ARG A 35 39.853 16.378 -4.230 1.00 0.00 H new ATOM 0 HA ARG A 35 40.649 15.158 -6.484 1.00 0.00 H new ATOM 0 HB2 ARG A 35 37.959 15.820 -5.337 1.00 0.00 H new ATOM 0 HB3 ARG A 35 37.991 15.199 -6.975 1.00 0.00 H new ATOM 0 HG2 ARG A 35 39.684 13.757 -4.953 1.00 0.00 H new ATOM 0 HG3 ARG A 35 37.947 13.583 -4.793 1.00 0.00 H new ATOM 0 HD2 ARG A 35 37.725 12.443 -6.819 1.00 0.00 H new ATOM 0 HD3 ARG A 35 39.090 13.257 -7.557 1.00 0.00 H new ATOM 0 HE ARG A 35 39.181 10.832 -5.853 1.00 0.00 H new ATOM 0 HH11 ARG A 35 41.003 13.489 -7.337 1.00 0.00 H new ATOM 0 HH12 ARG A 35 42.551 12.644 -7.235 1.00 0.00 H new ATOM 0 HH21 ARG A 35 41.182 9.738 -5.723 1.00 0.00 H new ATOM 0 HH22 ARG A 35 42.653 10.514 -6.319 1.00 0.00 H new ATOM 519 N ALA A 36 38.992 17.916 -7.276 1.00 0.00 N ATOM 520 CA ALA A 36 38.786 18.901 -8.324 1.00 0.00 C ATOM 521 C ALA A 36 40.134 19.510 -8.716 1.00 0.00 C ATOM 522 O ALA A 36 40.439 19.640 -9.900 1.00 0.00 O ATOM 523 CB ALA A 36 37.787 19.955 -7.844 1.00 0.00 C ATOM 0 H ALA A 36 38.487 18.103 -6.410 1.00 0.00 H new ATOM 0 HA ALA A 36 38.364 18.434 -9.214 1.00 0.00 H new ATOM 0 HB1 ALA A 36 37.632 20.694 -8.630 1.00 0.00 H new ATOM 0 HB2 ALA A 36 36.838 19.475 -7.605 1.00 0.00 H new ATOM 0 HB3 ALA A 36 38.178 20.448 -6.954 1.00 0.00 H new ATOM 529 N GLN A 37 40.904 19.869 -7.699 1.00 0.00 N ATOM 530 CA GLN A 37 42.211 20.462 -7.922 1.00 0.00 C ATOM 531 C GLN A 37 43.054 19.562 -8.828 1.00 0.00 C ATOM 532 O GLN A 37 43.424 19.958 -9.932 1.00 0.00 O ATOM 533 CB GLN A 37 42.926 20.729 -6.596 1.00 0.00 C ATOM 534 CG GLN A 37 42.601 22.128 -6.070 1.00 0.00 C ATOM 535 CD GLN A 37 43.836 23.030 -6.112 1.00 0.00 C ATOM 536 OE1 GLN A 37 44.264 23.493 -7.157 1.00 0.00 O ATOM 537 NE2 GLN A 37 44.384 23.253 -4.921 1.00 0.00 N ATOM 0 H GLN A 37 40.647 19.760 -6.718 1.00 0.00 H new ATOM 0 HA GLN A 37 42.073 21.421 -8.421 1.00 0.00 H new ATOM 0 HB2 GLN A 37 42.627 19.982 -5.861 1.00 0.00 H new ATOM 0 HB3 GLN A 37 44.003 20.629 -6.733 1.00 0.00 H new ATOM 0 HG2 GLN A 37 41.804 22.569 -6.668 1.00 0.00 H new ATOM 0 HG3 GLN A 37 42.231 22.059 -5.047 1.00 0.00 H new ATOM 0 HE21 GLN A 37 43.975 22.835 -4.085 1.00 0.00 H new ATOM 0 HE22 GLN A 37 45.213 23.842 -4.843 1.00 0.00 H new ATOM 546 N LYS A 38 43.334 18.367 -8.328 1.00 0.00 N ATOM 547 CA LYS A 38 44.126 17.408 -9.078 1.00 0.00 C ATOM 548 C LYS A 38 43.652 17.388 -10.533 1.00 0.00 C ATOM 549 O LYS A 38 44.440 17.615 -11.449 1.00 0.00 O ATOM 550 CB LYS A 38 44.090 16.037 -8.401 1.00 0.00 C ATOM 551 CG LYS A 38 45.313 15.202 -8.786 1.00 0.00 C ATOM 552 CD LYS A 38 45.829 14.401 -7.589 1.00 0.00 C ATOM 553 CE LYS A 38 47.329 14.622 -7.386 1.00 0.00 C ATOM 554 NZ LYS A 38 47.577 15.367 -6.131 1.00 0.00 N ATOM 0 H LYS A 38 43.026 18.041 -7.412 1.00 0.00 H new ATOM 0 HA LYS A 38 45.175 17.705 -9.088 1.00 0.00 H new ATOM 0 HB2 LYS A 38 44.057 16.163 -7.319 1.00 0.00 H new ATOM 0 HB3 LYS A 38 43.180 15.510 -8.688 1.00 0.00 H new ATOM 0 HG2 LYS A 38 45.053 14.523 -9.598 1.00 0.00 H new ATOM 0 HG3 LYS A 38 46.102 15.856 -9.158 1.00 0.00 H new ATOM 0 HD2 LYS A 38 45.289 14.697 -6.689 1.00 0.00 H new ATOM 0 HD3 LYS A 38 45.632 13.340 -7.745 1.00 0.00 H new ATOM 0 HE2 LYS A 38 47.843 13.661 -7.354 1.00 0.00 H new ATOM 0 HE3 LYS A 38 47.739 15.175 -8.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 48.600 15.509 -6.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 47.102 16.291 -6.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 47.203 14.825 -5.326 1.00 0.00 H new ATOM 568 N ALA A 39 42.366 17.115 -10.699 1.00 0.00 N ATOM 569 CA ALA A 39 41.778 17.063 -12.026 1.00 0.00 C ATOM 570 C ALA A 39 42.064 18.376 -12.758 1.00 0.00 C ATOM 571 O ALA A 39 42.730 18.381 -13.792 1.00 0.00 O ATOM 572 CB ALA A 39 40.279 16.775 -11.910 1.00 0.00 C ATOM 0 H ALA A 39 41.715 16.928 -9.936 1.00 0.00 H new ATOM 0 HA ALA A 39 42.221 16.256 -12.610 1.00 0.00 H new ATOM 0 HB1 ALA A 39 39.838 16.736 -12.906 1.00 0.00 H new ATOM 0 HB2 ALA A 39 40.130 15.818 -11.409 1.00 0.00 H new ATOM 0 HB3 ALA A 39 39.800 17.565 -11.332 1.00 0.00 H new ATOM 578 N LEU A 40 41.547 19.457 -12.193 1.00 0.00 N ATOM 579 CA LEU A 40 41.739 20.772 -12.780 1.00 0.00 C ATOM 580 C LEU A 40 43.180 20.899 -13.277 1.00 0.00 C ATOM 581 O LEU A 40 43.416 21.060 -14.473 1.00 0.00 O ATOM 582 CB LEU A 40 41.331 21.865 -11.789 1.00 0.00 C ATOM 583 CG LEU A 40 39.835 22.171 -11.706 1.00 0.00 C ATOM 584 CD1 LEU A 40 39.425 22.524 -10.275 1.00 0.00 C ATOM 585 CD2 LEU A 40 39.444 23.267 -12.700 1.00 0.00 C ATOM 0 H LEU A 40 40.995 19.449 -11.335 1.00 0.00 H new ATOM 0 HA LEU A 40 41.091 20.901 -13.647 1.00 0.00 H new ATOM 0 HB2 LEU A 40 41.678 21.576 -10.797 1.00 0.00 H new ATOM 0 HB3 LEU A 40 41.855 22.783 -12.055 1.00 0.00 H new ATOM 0 HG LEU A 40 39.287 21.271 -11.985 1.00 0.00 H new ATOM 0 HD11 LEU A 40 38.356 22.737 -10.245 1.00 0.00 H new ATOM 0 HD12 LEU A 40 39.647 21.685 -9.616 1.00 0.00 H new ATOM 0 HD13 LEU A 40 39.980 23.402 -9.944 1.00 0.00 H new ATOM 0 HD21 LEU A 40 38.375 23.466 -12.621 1.00 0.00 H new ATOM 0 HD22 LEU A 40 40.000 24.177 -12.475 1.00 0.00 H new ATOM 0 HD23 LEU A 40 39.678 22.940 -13.713 1.00 0.00 H new ATOM 597 N ALA A 41 44.107 20.821 -12.333 1.00 0.00 N ATOM 598 CA ALA A 41 45.518 20.925 -12.660 1.00 0.00 C ATOM 599 C ALA A 41 45.797 20.152 -13.951 1.00 0.00 C ATOM 600 O ALA A 41 46.194 20.738 -14.956 1.00 0.00 O ATOM 601 CB ALA A 41 46.354 20.416 -11.484 1.00 0.00 C ATOM 0 H ALA A 41 43.908 20.687 -11.342 1.00 0.00 H new ATOM 0 HA ALA A 41 45.796 21.965 -12.832 1.00 0.00 H new ATOM 0 HB1 ALA A 41 47.413 20.494 -11.730 1.00 0.00 H new ATOM 0 HB2 ALA A 41 46.141 21.017 -10.600 1.00 0.00 H new ATOM 0 HB3 ALA A 41 46.104 19.374 -11.284 1.00 0.00 H new ATOM 607 N SER A 42 45.578 18.847 -13.880 1.00 0.00 N ATOM 608 CA SER A 42 45.800 17.987 -15.030 1.00 0.00 C ATOM 609 C SER A 42 45.238 18.646 -16.292 1.00 0.00 C ATOM 610 O SER A 42 45.929 18.746 -17.304 1.00 0.00 O ATOM 611 CB SER A 42 45.164 16.612 -14.821 1.00 0.00 C ATOM 612 OG SER A 42 45.779 15.896 -13.753 1.00 0.00 O ATOM 0 H SER A 42 45.249 18.364 -13.044 1.00 0.00 H new ATOM 0 HA SER A 42 46.874 17.845 -15.149 1.00 0.00 H new ATOM 0 HB2 SER A 42 44.101 16.732 -14.612 1.00 0.00 H new ATOM 0 HB3 SER A 42 45.245 16.032 -15.740 1.00 0.00 H new ATOM 0 HG SER A 42 45.309 15.047 -13.615 1.00 0.00 H new ATOM 618 N THR A 43 43.989 19.077 -16.189 1.00 0.00 N ATOM 619 CA THR A 43 43.327 19.723 -17.310 1.00 0.00 C ATOM 620 C THR A 43 43.435 21.244 -17.189 1.00 0.00 C ATOM 621 O THR A 43 42.530 21.969 -17.598 1.00 0.00 O ATOM 622 CB THR A 43 41.883 19.218 -17.360 1.00 0.00 C ATOM 623 OG1 THR A 43 41.221 19.960 -16.339 1.00 0.00 O ATOM 624 CG2 THR A 43 41.755 17.763 -16.905 1.00 0.00 C ATOM 0 H THR A 43 43.419 18.992 -15.348 1.00 0.00 H new ATOM 0 HA THR A 43 43.809 19.469 -18.254 1.00 0.00 H new ATOM 0 HB THR A 43 41.499 19.316 -18.376 1.00 0.00 H new ATOM 0 HG1 THR A 43 40.254 19.818 -16.406 1.00 0.00 H new ATOM 0 HG21 THR A 43 40.711 17.455 -16.960 1.00 0.00 H new ATOM 0 HG22 THR A 43 42.356 17.125 -17.553 1.00 0.00 H new ATOM 0 HG23 THR A 43 42.107 17.671 -15.878 1.00 0.00 H new ATOM 632 N GLY A 44 44.550 21.683 -16.624 1.00 0.00 N ATOM 633 CA GLY A 44 44.788 23.105 -16.443 1.00 0.00 C ATOM 634 C GLY A 44 43.738 23.724 -15.519 1.00 0.00 C ATOM 635 O GLY A 44 44.004 23.960 -14.341 1.00 0.00 O ATOM 0 H GLY A 44 45.299 21.079 -16.285 1.00 0.00 H new ATOM 0 HA2 GLY A 44 45.782 23.260 -16.025 1.00 0.00 H new ATOM 0 HA3 GLY A 44 44.767 23.607 -17.410 1.00 0.00 H new ATOM 639 N GLY A 45 42.567 23.969 -16.088 1.00 0.00 N ATOM 640 CA GLY A 45 41.475 24.556 -15.329 1.00 0.00 C ATOM 641 C GLY A 45 40.652 25.508 -16.200 1.00 0.00 C ATOM 642 O GLY A 45 40.512 26.687 -15.876 1.00 0.00 O ATOM 0 H GLY A 45 42.350 23.772 -17.065 1.00 0.00 H new ATOM 0 HA2 GLY A 45 40.832 23.766 -14.939 1.00 0.00 H new ATOM 0 HA3 GLY A 45 41.873 25.096 -14.470 1.00 0.00 H new ATOM 646 N ARG A 46 40.130 24.962 -17.288 1.00 0.00 N ATOM 647 CA ARG A 46 39.325 25.747 -18.208 1.00 0.00 C ATOM 648 C ARG A 46 37.852 25.353 -18.094 1.00 0.00 C ATOM 649 O ARG A 46 36.991 26.206 -17.883 1.00 0.00 O ATOM 650 CB ARG A 46 39.789 25.550 -19.653 1.00 0.00 C ATOM 651 CG ARG A 46 41.204 26.095 -19.854 1.00 0.00 C ATOM 652 CD ARG A 46 41.376 26.664 -21.264 1.00 0.00 C ATOM 653 NE ARG A 46 42.165 25.727 -22.095 1.00 0.00 N ATOM 654 CZ ARG A 46 42.581 25.995 -23.340 1.00 0.00 C ATOM 655 NH1 ARG A 46 42.286 27.173 -23.906 1.00 0.00 N ATOM 656 NH2 ARG A 46 43.292 25.085 -24.019 1.00 0.00 N ATOM 0 H ARG A 46 40.249 23.984 -17.553 1.00 0.00 H new ATOM 0 HA ARG A 46 39.445 26.797 -17.940 1.00 0.00 H new ATOM 0 HB2 ARG A 46 39.765 24.490 -19.905 1.00 0.00 H new ATOM 0 HB3 ARG A 46 39.101 26.055 -20.331 1.00 0.00 H new ATOM 0 HG2 ARG A 46 41.407 26.872 -19.117 1.00 0.00 H new ATOM 0 HG3 ARG A 46 41.931 25.300 -19.687 1.00 0.00 H new ATOM 0 HD2 ARG A 46 40.400 26.833 -21.719 1.00 0.00 H new ATOM 0 HD3 ARG A 46 41.877 27.631 -21.216 1.00 0.00 H new ATOM 0 HE ARG A 46 42.407 24.821 -21.695 1.00 0.00 H new ATOM 0 HH11 ARG A 46 41.745 27.866 -23.389 1.00 0.00 H new ATOM 0 HH12 ARG A 46 42.603 27.377 -24.854 1.00 0.00 H new ATOM 0 HH21 ARG A 46 43.517 24.188 -23.588 1.00 0.00 H new ATOM 0 HH22 ARG A 46 43.609 25.289 -24.967 1.00 0.00 H new ATOM 670 N SER A 47 37.606 24.059 -18.237 1.00 0.00 N ATOM 671 CA SER A 47 36.251 23.541 -18.152 1.00 0.00 C ATOM 672 C SER A 47 36.158 22.497 -17.038 1.00 0.00 C ATOM 673 O SER A 47 37.106 21.749 -16.802 1.00 0.00 O ATOM 674 CB SER A 47 35.809 22.934 -19.486 1.00 0.00 C ATOM 675 OG SER A 47 34.443 22.528 -19.461 1.00 0.00 O ATOM 0 H SER A 47 38.322 23.354 -18.411 1.00 0.00 H new ATOM 0 HA SER A 47 35.582 24.370 -17.921 1.00 0.00 H new ATOM 0 HB2 SER A 47 35.956 23.663 -20.283 1.00 0.00 H new ATOM 0 HB3 SER A 47 36.438 22.075 -19.720 1.00 0.00 H new ATOM 0 HG SER A 47 34.199 22.148 -20.331 1.00 0.00 H new ATOM 681 N VAL A 48 35.008 22.480 -16.381 1.00 0.00 N ATOM 682 CA VAL A 48 34.779 21.540 -15.296 1.00 0.00 C ATOM 683 C VAL A 48 34.350 20.191 -15.878 1.00 0.00 C ATOM 684 O VAL A 48 34.515 19.155 -15.237 1.00 0.00 O ATOM 685 CB VAL A 48 33.761 22.117 -14.310 1.00 0.00 C ATOM 686 CG1 VAL A 48 34.305 23.377 -13.635 1.00 0.00 C ATOM 687 CG2 VAL A 48 32.426 22.398 -15.002 1.00 0.00 C ATOM 0 H VAL A 48 34.224 23.102 -16.579 1.00 0.00 H new ATOM 0 HA VAL A 48 35.698 21.374 -14.734 1.00 0.00 H new ATOM 0 HB VAL A 48 33.586 21.371 -13.535 1.00 0.00 H new ATOM 0 HG11 VAL A 48 33.562 23.767 -12.939 1.00 0.00 H new ATOM 0 HG12 VAL A 48 35.218 23.133 -13.092 1.00 0.00 H new ATOM 0 HG13 VAL A 48 34.523 24.130 -14.392 1.00 0.00 H new ATOM 0 HG21 VAL A 48 31.720 22.807 -14.279 1.00 0.00 H new ATOM 0 HG22 VAL A 48 32.578 23.116 -15.808 1.00 0.00 H new ATOM 0 HG23 VAL A 48 32.027 21.471 -15.413 1.00 0.00 H new ATOM 697 N GLN A 49 33.809 20.249 -17.086 1.00 0.00 N ATOM 698 CA GLN A 49 33.355 19.045 -17.761 1.00 0.00 C ATOM 699 C GLN A 49 34.544 18.135 -18.079 1.00 0.00 C ATOM 700 O GLN A 49 34.527 16.949 -17.754 1.00 0.00 O ATOM 701 CB GLN A 49 32.573 19.389 -19.030 1.00 0.00 C ATOM 702 CG GLN A 49 31.071 19.458 -18.746 1.00 0.00 C ATOM 703 CD GLN A 49 30.433 18.070 -18.832 1.00 0.00 C ATOM 704 OE1 GLN A 49 30.238 17.513 -19.900 1.00 0.00 O ATOM 705 NE2 GLN A 49 30.120 17.545 -17.651 1.00 0.00 N ATOM 0 H GLN A 49 33.675 21.111 -17.615 1.00 0.00 H new ATOM 0 HA GLN A 49 32.681 18.510 -17.093 1.00 0.00 H new ATOM 0 HB2 GLN A 49 32.916 20.345 -19.425 1.00 0.00 H new ATOM 0 HB3 GLN A 49 32.768 18.639 -19.796 1.00 0.00 H new ATOM 0 HG2 GLN A 49 30.904 19.878 -17.754 1.00 0.00 H new ATOM 0 HG3 GLN A 49 30.592 20.127 -19.461 1.00 0.00 H new ATOM 0 HE21 GLN A 49 30.311 18.066 -16.795 1.00 0.00 H new ATOM 0 HE22 GLN A 49 29.689 16.622 -17.601 1.00 0.00 H new ATOM 714 N THR A 50 35.547 18.726 -18.711 1.00 0.00 N ATOM 715 CA THR A 50 36.742 17.984 -19.077 1.00 0.00 C ATOM 716 C THR A 50 37.364 17.332 -17.841 1.00 0.00 C ATOM 717 O THR A 50 37.695 16.147 -17.859 1.00 0.00 O ATOM 718 CB THR A 50 37.690 18.941 -19.802 1.00 0.00 C ATOM 719 OG1 THR A 50 37.110 19.091 -21.095 1.00 0.00 O ATOM 720 CG2 THR A 50 39.058 18.313 -20.077 1.00 0.00 C ATOM 0 H THR A 50 35.557 19.710 -18.979 1.00 0.00 H new ATOM 0 HA THR A 50 36.506 17.163 -19.754 1.00 0.00 H new ATOM 0 HB THR A 50 37.819 19.845 -19.207 1.00 0.00 H new ATOM 0 HG1 THR A 50 37.661 19.698 -21.632 1.00 0.00 H new ATOM 0 HG21 THR A 50 39.692 19.034 -20.593 1.00 0.00 H new ATOM 0 HG22 THR A 50 39.524 18.029 -19.134 1.00 0.00 H new ATOM 0 HG23 THR A 50 38.933 17.428 -20.701 1.00 0.00 H new ATOM 728 N ALA A 51 37.506 18.135 -16.796 1.00 0.00 N ATOM 729 CA ALA A 51 38.083 17.651 -15.553 1.00 0.00 C ATOM 730 C ALA A 51 37.301 16.426 -15.076 1.00 0.00 C ATOM 731 O ALA A 51 37.891 15.398 -14.745 1.00 0.00 O ATOM 732 CB ALA A 51 38.088 18.779 -14.520 1.00 0.00 C ATOM 0 H ALA A 51 37.231 19.117 -16.785 1.00 0.00 H new ATOM 0 HA ALA A 51 39.118 17.343 -15.704 1.00 0.00 H new ATOM 0 HB1 ALA A 51 38.521 18.417 -13.588 1.00 0.00 H new ATOM 0 HB2 ALA A 51 38.681 19.613 -14.895 1.00 0.00 H new ATOM 0 HB3 ALA A 51 37.066 19.112 -14.340 1.00 0.00 H new ATOM 738 N CYS A 52 35.984 16.575 -15.055 1.00 0.00 N ATOM 739 CA CYS A 52 35.115 15.493 -14.623 1.00 0.00 C ATOM 740 C CYS A 52 35.548 14.214 -15.342 1.00 0.00 C ATOM 741 O CYS A 52 35.830 13.202 -14.701 1.00 0.00 O ATOM 742 CB CYS A 52 33.641 15.818 -14.873 1.00 0.00 C ATOM 743 SG CYS A 52 32.851 16.374 -13.319 1.00 0.00 S ATOM 0 H CYS A 52 35.498 17.428 -15.330 1.00 0.00 H new ATOM 0 HA CYS A 52 35.210 15.353 -13.546 1.00 0.00 H new ATOM 0 HB2 CYS A 52 33.555 16.595 -15.633 1.00 0.00 H new ATOM 0 HB3 CYS A 52 33.126 14.938 -15.258 1.00 0.00 H new ATOM 0 HG CYS A 52 31.600 16.649 -13.542 1.00 0.00 H new ATOM 749 N ASP A 53 35.586 14.300 -16.664 1.00 0.00 N ATOM 750 CA ASP A 53 35.979 13.161 -17.477 1.00 0.00 C ATOM 751 C ASP A 53 37.270 12.561 -16.916 1.00 0.00 C ATOM 752 O ASP A 53 37.342 11.359 -16.665 1.00 0.00 O ATOM 753 CB ASP A 53 36.243 13.583 -18.924 1.00 0.00 C ATOM 754 CG ASP A 53 35.797 12.573 -19.983 1.00 0.00 C ATOM 755 OD1 ASP A 53 36.364 11.458 -19.978 1.00 0.00 O ATOM 756 OD2 ASP A 53 34.900 12.938 -20.773 1.00 0.00 O ATOM 0 H ASP A 53 35.351 15.140 -17.192 1.00 0.00 H new ATOM 0 HA ASP A 53 35.167 12.434 -17.456 1.00 0.00 H new ATOM 0 HB2 ASP A 53 35.735 14.529 -19.109 1.00 0.00 H new ATOM 0 HB3 ASP A 53 37.311 13.766 -19.044 1.00 0.00 H new ATOM 761 N TRP A 54 38.257 13.426 -16.736 1.00 0.00 N ATOM 762 CA TRP A 54 39.542 12.997 -16.210 1.00 0.00 C ATOM 763 C TRP A 54 39.293 12.284 -14.879 1.00 0.00 C ATOM 764 O TRP A 54 39.706 11.139 -14.697 1.00 0.00 O ATOM 765 CB TRP A 54 40.506 14.178 -16.084 1.00 0.00 C ATOM 766 CG TRP A 54 41.906 13.790 -15.606 1.00 0.00 C ATOM 767 CD1 TRP A 54 42.984 13.509 -16.351 1.00 0.00 C ATOM 768 CD2 TRP A 54 42.340 13.652 -14.236 1.00 0.00 C ATOM 769 NE1 TRP A 54 44.076 13.201 -15.566 1.00 0.00 N ATOM 770 CE2 TRP A 54 43.672 13.290 -14.239 1.00 0.00 C ATOM 771 CE3 TRP A 54 41.630 13.826 -13.035 1.00 0.00 C ATOM 772 CZ2 TRP A 54 44.409 13.072 -13.069 1.00 0.00 C ATOM 773 CZ3 TRP A 54 42.381 13.604 -11.875 1.00 0.00 C ATOM 774 CH2 TRP A 54 43.723 13.240 -11.860 1.00 0.00 C ATOM 0 H TRP A 54 38.193 14.422 -16.945 1.00 0.00 H new ATOM 0 HA TRP A 54 40.025 12.300 -16.894 1.00 0.00 H new ATOM 0 HB2 TRP A 54 40.588 14.672 -17.052 1.00 0.00 H new ATOM 0 HB3 TRP A 54 40.085 14.905 -15.390 1.00 0.00 H new ATOM 0 HD1 TRP A 54 42.996 13.522 -17.431 1.00 0.00 H new ATOM 0 HE1 TRP A 54 45.008 12.954 -15.898 1.00 0.00 H new ATOM 0 HE3 TRP A 54 40.588 14.109 -13.010 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 45.451 12.789 -13.097 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 41.883 13.724 -10.924 1.00 0.00 H new ATOM 0 HH2 TRP A 54 44.234 13.088 -10.921 1.00 0.00 H new ATOM 785 N LEU A 55 38.619 12.990 -13.983 1.00 0.00 N ATOM 786 CA LEU A 55 38.311 12.438 -12.674 1.00 0.00 C ATOM 787 C LEU A 55 37.903 10.972 -12.827 1.00 0.00 C ATOM 788 O LEU A 55 38.621 10.075 -12.388 1.00 0.00 O ATOM 789 CB LEU A 55 37.262 13.298 -11.965 1.00 0.00 C ATOM 790 CG LEU A 55 37.804 14.409 -11.064 1.00 0.00 C ATOM 791 CD1 LEU A 55 36.839 15.595 -11.016 1.00 0.00 C ATOM 792 CD2 LEU A 55 38.125 13.874 -9.666 1.00 0.00 C ATOM 0 H LEU A 55 38.278 13.939 -14.137 1.00 0.00 H new ATOM 0 HA LEU A 55 39.193 12.458 -12.034 1.00 0.00 H new ATOM 0 HB2 LEU A 55 36.621 13.751 -12.721 1.00 0.00 H new ATOM 0 HB3 LEU A 55 36.631 12.644 -11.363 1.00 0.00 H new ATOM 0 HG LEU A 55 38.739 14.771 -11.492 1.00 0.00 H new ATOM 0 HD11 LEU A 55 37.248 16.371 -10.369 1.00 0.00 H new ATOM 0 HD12 LEU A 55 36.704 15.995 -12.021 1.00 0.00 H new ATOM 0 HD13 LEU A 55 35.877 15.266 -10.624 1.00 0.00 H new ATOM 0 HD21 LEU A 55 38.509 14.684 -9.046 1.00 0.00 H new ATOM 0 HD22 LEU A 55 37.219 13.469 -9.215 1.00 0.00 H new ATOM 0 HD23 LEU A 55 38.876 13.088 -9.741 1.00 0.00 H new ATOM 804 N PHE A 56 36.751 10.773 -13.451 1.00 0.00 N ATOM 805 CA PHE A 56 36.239 9.430 -13.667 1.00 0.00 C ATOM 806 C PHE A 56 37.283 8.550 -14.356 1.00 0.00 C ATOM 807 O PHE A 56 37.612 7.471 -13.866 1.00 0.00 O ATOM 808 CB PHE A 56 35.016 9.559 -14.577 1.00 0.00 C ATOM 809 CG PHE A 56 33.989 10.587 -14.098 1.00 0.00 C ATOM 810 CD1 PHE A 56 33.590 10.594 -12.797 1.00 0.00 C ATOM 811 CD2 PHE A 56 33.475 11.493 -14.972 1.00 0.00 C ATOM 812 CE1 PHE A 56 32.637 11.548 -12.353 1.00 0.00 C ATOM 813 CE2 PHE A 56 32.522 12.447 -14.527 1.00 0.00 C ATOM 814 CZ PHE A 56 32.123 12.454 -13.227 1.00 0.00 C ATOM 0 H PHE A 56 36.158 11.519 -13.814 1.00 0.00 H new ATOM 0 HA PHE A 56 35.988 8.969 -12.712 1.00 0.00 H new ATOM 0 HB2 PHE A 56 35.348 9.832 -15.578 1.00 0.00 H new ATOM 0 HB3 PHE A 56 34.531 8.586 -14.657 1.00 0.00 H new ATOM 0 HD1 PHE A 56 33.998 9.874 -12.103 1.00 0.00 H new ATOM 0 HD2 PHE A 56 33.792 11.487 -16.005 1.00 0.00 H new ATOM 0 HE1 PHE A 56 32.320 11.554 -11.321 1.00 0.00 H new ATOM 0 HE2 PHE A 56 32.114 13.167 -15.221 1.00 0.00 H new ATOM 0 HZ PHE A 56 31.398 13.179 -12.889 1.00 0.00 H new ATOM 824 N SER A 57 37.774 9.042 -15.484 1.00 0.00 N ATOM 825 CA SER A 57 38.774 8.314 -16.246 1.00 0.00 C ATOM 826 C SER A 57 39.970 7.977 -15.353 1.00 0.00 C ATOM 827 O SER A 57 40.204 8.643 -14.345 1.00 0.00 O ATOM 828 CB SER A 57 39.231 9.118 -17.465 1.00 0.00 C ATOM 829 OG SER A 57 39.603 8.275 -18.552 1.00 0.00 O ATOM 0 H SER A 57 37.498 9.937 -15.889 1.00 0.00 H new ATOM 0 HA SER A 57 38.324 7.388 -16.604 1.00 0.00 H new ATOM 0 HB2 SER A 57 38.429 9.784 -17.781 1.00 0.00 H new ATOM 0 HB3 SER A 57 40.077 9.747 -17.188 1.00 0.00 H new ATOM 0 HG SER A 57 39.887 8.826 -19.311 1.00 0.00 H new ATOM 835 N HIS A 58 40.695 6.944 -15.755 1.00 0.00 N ATOM 836 CA HIS A 58 41.861 6.510 -15.004 1.00 0.00 C ATOM 837 C HIS A 58 43.128 6.798 -15.812 1.00 0.00 C ATOM 838 O HIS A 58 43.145 6.623 -17.029 1.00 0.00 O ATOM 839 CB HIS A 58 41.734 5.039 -14.603 1.00 0.00 C ATOM 840 CG HIS A 58 42.579 4.651 -13.414 1.00 0.00 C ATOM 841 ND1 HIS A 58 43.602 3.722 -13.493 1.00 0.00 N ATOM 842 CD2 HIS A 58 42.543 5.076 -12.118 1.00 0.00 C ATOM 843 CE1 HIS A 58 44.149 3.600 -12.292 1.00 0.00 C ATOM 844 NE2 HIS A 58 43.492 4.440 -11.442 1.00 0.00 N ATOM 0 H HIS A 58 40.498 6.394 -16.591 1.00 0.00 H new ATOM 0 HA HIS A 58 41.929 7.074 -14.074 1.00 0.00 H new ATOM 0 HB2 HIS A 58 40.689 4.823 -14.379 1.00 0.00 H new ATOM 0 HB3 HIS A 58 42.013 4.416 -15.453 1.00 0.00 H new ATOM 0 HD2 HIS A 58 41.859 5.806 -11.711 1.00 0.00 H new ATOM 0 HE1 HIS A 58 44.971 2.949 -12.032 1.00 0.00 H new ATOM 0 HE2 HIS A 58 43.696 4.560 -10.450 1.00 0.00 H new ATOM 852 N SER A 59 44.158 7.233 -15.101 1.00 0.00 N ATOM 853 CA SER A 59 45.427 7.546 -15.737 1.00 0.00 C ATOM 854 C SER A 59 46.561 6.794 -15.040 1.00 0.00 C ATOM 855 O SER A 59 47.185 7.319 -14.119 1.00 0.00 O ATOM 856 CB SER A 59 45.697 9.052 -15.716 1.00 0.00 C ATOM 857 OG SER A 59 44.806 9.766 -16.569 1.00 0.00 O ATOM 0 H SER A 59 44.140 7.376 -14.091 1.00 0.00 H new ATOM 0 HA SER A 59 45.375 7.228 -16.778 1.00 0.00 H new ATOM 0 HB2 SER A 59 45.598 9.424 -14.696 1.00 0.00 H new ATOM 0 HB3 SER A 59 46.725 9.240 -16.026 1.00 0.00 H new ATOM 0 HG SER A 59 45.009 10.724 -16.526 1.00 0.00 H new ATOM 863 N GLY A 60 46.795 5.575 -15.506 1.00 0.00 N ATOM 864 CA GLY A 60 47.844 4.745 -14.938 1.00 0.00 C ATOM 865 C GLY A 60 47.551 3.261 -15.166 1.00 0.00 C ATOM 866 O GLY A 60 46.439 2.894 -15.541 1.00 0.00 O ATOM 0 H GLY A 60 46.276 5.143 -16.270 1.00 0.00 H new ATOM 0 HA2 GLY A 60 48.802 5.004 -15.389 1.00 0.00 H new ATOM 0 HA3 GLY A 60 47.931 4.942 -13.870 1.00 0.00 H new ATOM 870 N PRO A 61 48.597 2.426 -14.924 1.00 0.00 N ATOM 871 CA PRO A 61 48.463 0.989 -15.098 1.00 0.00 C ATOM 872 C PRO A 61 47.659 0.370 -13.954 1.00 0.00 C ATOM 873 O PRO A 61 48.209 0.067 -12.896 1.00 0.00 O ATOM 874 CB PRO A 61 49.889 0.468 -15.172 1.00 0.00 C ATOM 875 CG PRO A 61 50.763 1.558 -14.573 1.00 0.00 C ATOM 876 CD PRO A 61 49.929 2.825 -14.478 1.00 0.00 C ATOM 0 HA PRO A 61 47.908 0.724 -15.998 1.00 0.00 H new ATOM 0 HB2 PRO A 61 49.993 -0.465 -14.618 1.00 0.00 H new ATOM 0 HB3 PRO A 61 50.176 0.260 -16.203 1.00 0.00 H new ATOM 0 HG2 PRO A 61 51.121 1.262 -13.587 1.00 0.00 H new ATOM 0 HG3 PRO A 61 51.643 1.726 -15.194 1.00 0.00 H new ATOM 0 HD2 PRO A 61 49.907 3.209 -13.458 1.00 0.00 H new ATOM 0 HD3 PRO A 61 50.337 3.616 -15.107 1.00 0.00 H new ATOM 884 N SER A 62 46.368 0.201 -14.204 1.00 0.00 N ATOM 885 CA SER A 62 45.482 -0.376 -13.208 1.00 0.00 C ATOM 886 C SER A 62 45.558 -1.903 -13.262 1.00 0.00 C ATOM 887 O SER A 62 45.541 -2.567 -12.227 1.00 0.00 O ATOM 888 CB SER A 62 44.041 0.092 -13.415 1.00 0.00 C ATOM 889 OG SER A 62 43.664 0.067 -14.789 1.00 0.00 O ATOM 0 H SER A 62 45.915 0.454 -15.082 1.00 0.00 H new ATOM 0 HA SER A 62 45.807 -0.037 -12.224 1.00 0.00 H new ATOM 0 HB2 SER A 62 43.367 -0.545 -12.842 1.00 0.00 H new ATOM 0 HB3 SER A 62 43.929 1.104 -13.027 1.00 0.00 H new ATOM 0 HG SER A 62 42.737 0.371 -14.879 1.00 0.00 H new ATOM 895 N SER A 63 45.638 -2.416 -14.481 1.00 0.00 N ATOM 896 CA SER A 63 45.716 -3.853 -14.685 1.00 0.00 C ATOM 897 C SER A 63 44.429 -4.521 -14.197 1.00 0.00 C ATOM 898 O SER A 63 43.814 -4.063 -13.235 1.00 0.00 O ATOM 899 CB SER A 63 46.928 -4.447 -13.964 1.00 0.00 C ATOM 900 OG SER A 63 47.395 -5.636 -14.595 1.00 0.00 O ATOM 0 H SER A 63 45.651 -1.862 -15.338 1.00 0.00 H new ATOM 0 HA SER A 63 45.834 -4.041 -15.752 1.00 0.00 H new ATOM 0 HB2 SER A 63 47.731 -3.711 -13.939 1.00 0.00 H new ATOM 0 HB3 SER A 63 46.663 -4.666 -12.930 1.00 0.00 H new ATOM 0 HG SER A 63 48.170 -5.983 -14.106 1.00 0.00 H new ATOM 906 N GLY A 64 44.059 -5.592 -14.883 1.00 0.00 N ATOM 907 CA GLY A 64 42.856 -6.328 -14.532 1.00 0.00 C ATOM 908 C GLY A 64 43.024 -7.045 -13.191 1.00 0.00 C ATOM 909 O GLY A 64 43.162 -6.401 -12.152 1.00 0.00 O ATOM 0 H GLY A 64 44.571 -5.968 -15.681 1.00 0.00 H new ATOM 0 HA2 GLY A 64 42.009 -5.644 -14.479 1.00 0.00 H new ATOM 0 HA3 GLY A 64 42.630 -7.055 -15.312 1.00 0.00 H new TER 913 GLY A 64