USER MOD reduce.3.24.130724 H: found=0, std=0, add=450, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 447 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 30 TYR OH : rot 130:sc= -3.25! USER MOD Set 1.2: A 42 ASN :FLIP amide:sc= -11.2! C(o=-16!,f=-14!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot -59:sc= 0.214 USER MOD Single : A 3 SER OG : rot 180:sc= -0.127 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 10 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot 13:sc= 0.138 USER MOD Single : A 33 HIS : no HD1:sc= -1.98 K(o=-2,f=-5.9!) USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 LYS NZ :NH3+ -147:sc=-0.00525 (180deg=-1.11) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= 1.24 K(o=1.2,f=-0.11) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 166:sc= -0.0616 (180deg=-0.15) USER MOD Single : A 50 LYS NZ :NH3+ -127:sc= -0.0841 (180deg=-0.803) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=-0.085) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 21.210 -9.317 -0.398 1.00 0.00 N ATOM 2 CA GLY A 1 19.867 -8.920 -0.779 1.00 0.00 C ATOM 3 C GLY A 1 19.239 -7.967 0.219 1.00 0.00 C ATOM 4 O GLY A 1 19.844 -6.962 0.593 1.00 0.00 O ATOM 0 H1 GLY A 1 21.595 -9.968 -1.112 1.00 0.00 H new ATOM 0 H2 GLY A 1 21.816 -8.474 -0.335 1.00 0.00 H new ATOM 0 H3 GLY A 1 21.182 -9.794 0.526 1.00 0.00 H new ATOM 0 HA2 GLY A 1 19.896 -8.446 -1.760 1.00 0.00 H new ATOM 0 HA3 GLY A 1 19.242 -9.808 -0.872 1.00 0.00 H new ATOM 8 N SER A 2 18.022 -8.282 0.651 1.00 0.00 N ATOM 9 CA SER A 2 17.309 -7.443 1.607 1.00 0.00 C ATOM 10 C SER A 2 17.491 -5.965 1.274 1.00 0.00 C ATOM 11 O SER A 2 17.696 -5.138 2.163 1.00 0.00 O ATOM 12 CB SER A 2 17.802 -7.722 3.028 1.00 0.00 C ATOM 13 OG SER A 2 16.936 -7.146 3.991 1.00 0.00 O ATOM 0 H SER A 2 17.509 -9.112 0.354 1.00 0.00 H new ATOM 0 HA SER A 2 16.248 -7.683 1.544 1.00 0.00 H new ATOM 0 HB2 SER A 2 17.866 -8.798 3.189 1.00 0.00 H new ATOM 0 HB3 SER A 2 18.808 -7.321 3.153 1.00 0.00 H new ATOM 0 HG SER A 2 16.888 -6.177 3.850 1.00 0.00 H new ATOM 19 N SER A 3 17.413 -5.641 -0.012 1.00 0.00 N ATOM 20 CA SER A 3 17.572 -4.264 -0.464 1.00 0.00 C ATOM 21 C SER A 3 16.253 -3.709 -0.992 1.00 0.00 C ATOM 22 O SER A 3 15.793 -2.654 -0.559 1.00 0.00 O ATOM 23 CB SER A 3 18.644 -4.183 -1.553 1.00 0.00 C ATOM 24 OG SER A 3 18.319 -5.016 -2.652 1.00 0.00 O ATOM 0 H SER A 3 17.241 -6.313 -0.760 1.00 0.00 H new ATOM 0 HA SER A 3 17.884 -3.662 0.389 1.00 0.00 H new ATOM 0 HB2 SER A 3 18.745 -3.152 -1.892 1.00 0.00 H new ATOM 0 HB3 SER A 3 19.609 -4.479 -1.141 1.00 0.00 H new ATOM 0 HG SER A 3 19.019 -4.945 -3.335 1.00 0.00 H new ATOM 30 N GLY A 4 15.648 -4.430 -1.932 1.00 0.00 N ATOM 31 CA GLY A 4 14.388 -3.996 -2.504 1.00 0.00 C ATOM 32 C GLY A 4 14.295 -4.286 -3.989 1.00 0.00 C ATOM 33 O GLY A 4 15.301 -4.260 -4.698 1.00 0.00 O ATOM 0 H GLY A 4 16.009 -5.307 -2.307 1.00 0.00 H new ATOM 0 HA2 GLY A 4 13.567 -4.494 -1.988 1.00 0.00 H new ATOM 0 HA3 GLY A 4 14.266 -2.926 -2.338 1.00 0.00 H new ATOM 37 N SER A 5 13.084 -4.565 -4.461 1.00 0.00 N ATOM 38 CA SER A 5 12.864 -4.867 -5.871 1.00 0.00 C ATOM 39 C SER A 5 13.690 -3.942 -6.760 1.00 0.00 C ATOM 40 O SER A 5 14.158 -2.893 -6.318 1.00 0.00 O ATOM 41 CB SER A 5 11.380 -4.735 -6.217 1.00 0.00 C ATOM 42 OG SER A 5 11.097 -5.311 -7.481 1.00 0.00 O ATOM 0 H SER A 5 12.240 -4.588 -3.888 1.00 0.00 H new ATOM 0 HA SER A 5 13.181 -5.894 -6.051 1.00 0.00 H new ATOM 0 HB2 SER A 5 10.780 -5.223 -5.449 1.00 0.00 H new ATOM 0 HB3 SER A 5 11.097 -3.682 -6.222 1.00 0.00 H new ATOM 0 HG SER A 5 10.142 -5.215 -7.678 1.00 0.00 H new ATOM 48 N SER A 6 13.864 -4.340 -8.016 1.00 0.00 N ATOM 49 CA SER A 6 14.636 -3.550 -8.968 1.00 0.00 C ATOM 50 C SER A 6 13.820 -2.367 -9.480 1.00 0.00 C ATOM 51 O SER A 6 12.962 -2.520 -10.349 1.00 0.00 O ATOM 52 CB SER A 6 15.084 -4.422 -10.142 1.00 0.00 C ATOM 53 OG SER A 6 15.905 -5.490 -9.701 1.00 0.00 O ATOM 0 H SER A 6 13.481 -5.205 -8.398 1.00 0.00 H new ATOM 0 HA SER A 6 15.517 -3.166 -8.454 1.00 0.00 H new ATOM 0 HB2 SER A 6 14.210 -4.820 -10.657 1.00 0.00 H new ATOM 0 HB3 SER A 6 15.630 -3.814 -10.863 1.00 0.00 H new ATOM 0 HG SER A 6 16.176 -6.033 -10.470 1.00 0.00 H new ATOM 59 N GLY A 7 14.095 -1.186 -8.935 1.00 0.00 N ATOM 60 CA GLY A 7 13.379 0.007 -9.349 1.00 0.00 C ATOM 61 C GLY A 7 13.147 0.971 -8.202 1.00 0.00 C ATOM 62 O GLY A 7 13.590 0.729 -7.078 1.00 0.00 O ATOM 0 H GLY A 7 14.801 -1.034 -8.214 1.00 0.00 H new ATOM 0 HA2 GLY A 7 13.942 0.511 -10.135 1.00 0.00 H new ATOM 0 HA3 GLY A 7 12.419 -0.280 -9.778 1.00 0.00 H new ATOM 66 N LEU A 8 12.452 2.067 -8.484 1.00 0.00 N ATOM 67 CA LEU A 8 12.163 3.073 -7.467 1.00 0.00 C ATOM 68 C LEU A 8 10.660 3.296 -7.334 1.00 0.00 C ATOM 69 O LEU A 8 9.875 2.807 -8.147 1.00 0.00 O ATOM 70 CB LEU A 8 12.857 4.391 -7.814 1.00 0.00 C ATOM 71 CG LEU A 8 12.617 4.925 -9.226 1.00 0.00 C ATOM 72 CD1 LEU A 8 12.765 6.438 -9.257 1.00 0.00 C ATOM 73 CD2 LEU A 8 13.575 4.273 -10.213 1.00 0.00 C ATOM 0 H LEU A 8 12.078 2.282 -9.408 1.00 0.00 H new ATOM 0 HA LEU A 8 12.544 2.709 -6.513 1.00 0.00 H new ATOM 0 HB2 LEU A 8 12.532 5.148 -7.101 1.00 0.00 H new ATOM 0 HB3 LEU A 8 13.930 4.261 -7.674 1.00 0.00 H new ATOM 0 HG LEU A 8 11.598 4.674 -9.520 1.00 0.00 H new ATOM 0 HD11 LEU A 8 12.591 6.800 -10.270 1.00 0.00 H new ATOM 0 HD12 LEU A 8 12.039 6.889 -8.581 1.00 0.00 H new ATOM 0 HD13 LEU A 8 13.772 6.712 -8.942 1.00 0.00 H new ATOM 0 HD21 LEU A 8 13.390 4.665 -11.213 1.00 0.00 H new ATOM 0 HD22 LEU A 8 14.602 4.492 -9.922 1.00 0.00 H new ATOM 0 HD23 LEU A 8 13.420 3.194 -10.212 1.00 0.00 H new ATOM 85 N ASP A 9 10.267 4.038 -6.305 1.00 0.00 N ATOM 86 CA ASP A 9 8.858 4.330 -6.066 1.00 0.00 C ATOM 87 C ASP A 9 8.654 5.810 -5.758 1.00 0.00 C ATOM 88 O ASP A 9 9.617 6.554 -5.573 1.00 0.00 O ATOM 89 CB ASP A 9 8.327 3.477 -4.913 1.00 0.00 C ATOM 90 CG ASP A 9 8.080 2.039 -5.322 1.00 0.00 C ATOM 91 OD1 ASP A 9 7.830 1.797 -6.521 1.00 0.00 O ATOM 92 OD2 ASP A 9 8.136 1.154 -4.442 1.00 0.00 O ATOM 0 H ASP A 9 10.904 4.449 -5.623 1.00 0.00 H new ATOM 0 HA ASP A 9 8.303 4.087 -6.972 1.00 0.00 H new ATOM 0 HB2 ASP A 9 9.041 3.500 -4.090 1.00 0.00 H new ATOM 0 HB3 ASP A 9 7.398 3.911 -4.542 1.00 0.00 H new ATOM 97 N SER A 10 7.394 6.230 -5.705 1.00 0.00 N ATOM 98 CA SER A 10 7.063 7.622 -5.424 1.00 0.00 C ATOM 99 C SER A 10 5.596 7.763 -5.031 1.00 0.00 C ATOM 100 O SER A 10 4.842 6.790 -5.047 1.00 0.00 O ATOM 101 CB SER A 10 7.362 8.495 -6.644 1.00 0.00 C ATOM 102 OG SER A 10 6.449 8.231 -7.696 1.00 0.00 O ATOM 0 H SER A 10 6.585 5.626 -5.853 1.00 0.00 H new ATOM 0 HA SER A 10 7.678 7.955 -4.588 1.00 0.00 H new ATOM 0 HB2 SER A 10 7.306 9.547 -6.365 1.00 0.00 H new ATOM 0 HB3 SER A 10 8.380 8.310 -6.987 1.00 0.00 H new ATOM 0 HG SER A 10 6.660 8.803 -8.464 1.00 0.00 H new ATOM 108 N GLU A 11 5.199 8.981 -4.677 1.00 0.00 N ATOM 109 CA GLU A 11 3.822 9.250 -4.278 1.00 0.00 C ATOM 110 C GLU A 11 2.846 8.404 -5.090 1.00 0.00 C ATOM 111 O GLU A 11 1.945 7.772 -4.537 1.00 0.00 O ATOM 112 CB GLU A 11 3.497 10.734 -4.454 1.00 0.00 C ATOM 113 CG GLU A 11 4.045 11.329 -5.741 1.00 0.00 C ATOM 114 CD GLU A 11 3.934 12.841 -5.778 1.00 0.00 C ATOM 115 OE1 GLU A 11 4.599 13.505 -4.956 1.00 0.00 O ATOM 116 OE2 GLU A 11 3.181 13.360 -6.629 1.00 0.00 O ATOM 0 H GLU A 11 5.811 9.797 -4.658 1.00 0.00 H new ATOM 0 HA GLU A 11 3.717 8.986 -3.226 1.00 0.00 H new ATOM 0 HB2 GLU A 11 2.415 10.865 -4.435 1.00 0.00 H new ATOM 0 HB3 GLU A 11 3.900 11.289 -3.607 1.00 0.00 H new ATOM 0 HG2 GLU A 11 5.091 11.042 -5.853 1.00 0.00 H new ATOM 0 HG3 GLU A 11 3.506 10.908 -6.590 1.00 0.00 H new ATOM 123 N LEU A 12 3.030 8.398 -6.406 1.00 0.00 N ATOM 124 CA LEU A 12 2.165 7.631 -7.296 1.00 0.00 C ATOM 125 C LEU A 12 0.723 8.121 -7.209 1.00 0.00 C ATOM 126 O LEU A 12 -0.212 7.322 -7.180 1.00 0.00 O ATOM 127 CB LEU A 12 2.233 6.143 -6.948 1.00 0.00 C ATOM 128 CG LEU A 12 3.561 5.445 -7.242 1.00 0.00 C ATOM 129 CD1 LEU A 12 3.774 4.280 -6.288 1.00 0.00 C ATOM 130 CD2 LEU A 12 3.604 4.968 -8.687 1.00 0.00 C ATOM 0 H LEU A 12 3.770 8.915 -6.880 1.00 0.00 H new ATOM 0 HA LEU A 12 2.517 7.775 -8.318 1.00 0.00 H new ATOM 0 HB2 LEU A 12 2.012 6.028 -5.887 1.00 0.00 H new ATOM 0 HB3 LEU A 12 1.445 5.626 -7.495 1.00 0.00 H new ATOM 0 HG LEU A 12 4.368 6.163 -7.093 1.00 0.00 H new ATOM 0 HD11 LEU A 12 4.724 3.795 -6.512 1.00 0.00 H new ATOM 0 HD12 LEU A 12 3.787 4.648 -5.262 1.00 0.00 H new ATOM 0 HD13 LEU A 12 2.963 3.561 -6.405 1.00 0.00 H new ATOM 0 HD21 LEU A 12 4.556 4.474 -8.879 1.00 0.00 H new ATOM 0 HD22 LEU A 12 2.789 4.266 -8.863 1.00 0.00 H new ATOM 0 HD23 LEU A 12 3.498 5.822 -9.355 1.00 0.00 H new ATOM 142 N GLU A 13 0.552 9.438 -7.171 1.00 0.00 N ATOM 143 CA GLU A 13 -0.777 10.033 -7.090 1.00 0.00 C ATOM 144 C GLU A 13 -1.466 9.648 -5.784 1.00 0.00 C ATOM 145 O GLU A 13 -2.588 9.139 -5.787 1.00 0.00 O ATOM 146 CB GLU A 13 -1.632 9.592 -8.280 1.00 0.00 C ATOM 147 CG GLU A 13 -1.524 10.514 -9.482 1.00 0.00 C ATOM 148 CD GLU A 13 -2.371 11.764 -9.336 1.00 0.00 C ATOM 149 OE1 GLU A 13 -3.528 11.647 -8.880 1.00 0.00 O ATOM 150 OE2 GLU A 13 -1.876 12.858 -9.678 1.00 0.00 O ATOM 0 H GLU A 13 1.316 10.113 -7.195 1.00 0.00 H new ATOM 0 HA GLU A 13 -0.664 11.117 -7.116 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -1.335 8.586 -8.577 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -2.675 9.538 -7.967 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -0.482 10.800 -9.623 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -1.831 9.974 -10.378 1.00 0.00 H new ATOM 157 N LEU A 14 -0.787 9.894 -4.669 1.00 0.00 N ATOM 158 CA LEU A 14 -1.333 9.574 -3.354 1.00 0.00 C ATOM 159 C LEU A 14 -2.740 10.139 -3.196 1.00 0.00 C ATOM 160 O LEU A 14 -3.107 11.140 -3.813 1.00 0.00 O ATOM 161 CB LEU A 14 -0.423 10.124 -2.255 1.00 0.00 C ATOM 162 CG LEU A 14 1.037 9.672 -2.302 1.00 0.00 C ATOM 163 CD1 LEU A 14 1.948 10.747 -1.730 1.00 0.00 C ATOM 164 CD2 LEU A 14 1.214 8.362 -1.548 1.00 0.00 C ATOM 0 H LEU A 14 0.142 10.314 -4.649 1.00 0.00 H new ATOM 0 HA LEU A 14 -1.386 8.489 -3.264 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -0.447 11.213 -2.303 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -0.840 9.838 -1.289 1.00 0.00 H new ATOM 0 HG LEU A 14 1.313 9.508 -3.344 1.00 0.00 H new ATOM 0 HD11 LEU A 14 2.983 10.407 -1.772 1.00 0.00 H new ATOM 0 HD12 LEU A 14 1.843 11.662 -2.314 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.673 10.944 -0.694 1.00 0.00 H new ATOM 0 HD21 LEU A 14 2.259 8.055 -1.592 1.00 0.00 H new ATOM 0 HD22 LEU A 14 0.919 8.498 -0.508 1.00 0.00 H new ATOM 0 HD23 LEU A 14 0.591 7.593 -2.004 1.00 0.00 H new ATOM 176 N PRO A 15 -3.549 9.486 -2.348 1.00 0.00 N ATOM 177 CA PRO A 15 -4.929 9.908 -2.087 1.00 0.00 C ATOM 178 C PRO A 15 -4.997 11.213 -1.301 1.00 0.00 C ATOM 179 O PRO A 15 -5.016 12.297 -1.882 1.00 0.00 O ATOM 180 CB PRO A 15 -5.501 8.754 -1.259 1.00 0.00 C ATOM 181 CG PRO A 15 -4.315 8.131 -0.607 1.00 0.00 C ATOM 182 CD PRO A 15 -3.179 8.286 -1.580 1.00 0.00 C ATOM 0 HA PRO A 15 -5.478 10.103 -3.008 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -6.216 9.114 -0.519 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -6.028 8.038 -1.889 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -4.088 8.621 0.340 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -4.499 7.080 -0.386 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -2.226 8.415 -1.067 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -3.079 7.412 -2.224 1.00 0.00 H new ATOM 190 N ALA A 16 -5.032 11.100 0.023 1.00 0.00 N ATOM 191 CA ALA A 16 -5.096 12.271 0.888 1.00 0.00 C ATOM 192 C ALA A 16 -4.343 12.031 2.192 1.00 0.00 C ATOM 193 O ALA A 16 -4.483 10.980 2.817 1.00 0.00 O ATOM 194 CB ALA A 16 -6.545 12.639 1.172 1.00 0.00 C ATOM 0 H ALA A 16 -5.017 10.209 0.520 1.00 0.00 H new ATOM 0 HA ALA A 16 -4.617 13.102 0.370 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -6.578 13.515 1.819 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -7.054 12.861 0.234 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -7.042 11.804 1.666 1.00 0.00 H new ATOM 200 N GLY A 17 -3.544 13.013 2.598 1.00 0.00 N ATOM 201 CA GLY A 17 -2.780 12.888 3.826 1.00 0.00 C ATOM 202 C GLY A 17 -1.473 12.148 3.623 1.00 0.00 C ATOM 203 O GLY A 17 -0.994 11.462 4.527 1.00 0.00 O ATOM 0 H GLY A 17 -3.412 13.893 2.099 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -2.573 13.881 4.224 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -3.379 12.364 4.571 1.00 0.00 H new ATOM 207 N TRP A 18 -0.897 12.284 2.435 1.00 0.00 N ATOM 208 CA TRP A 18 0.363 11.620 2.116 1.00 0.00 C ATOM 209 C TRP A 18 1.419 12.633 1.689 1.00 0.00 C ATOM 210 O TRP A 18 1.152 13.514 0.873 1.00 0.00 O ATOM 211 CB TRP A 18 0.152 10.587 1.009 1.00 0.00 C ATOM 212 CG TRP A 18 -0.676 9.414 1.440 1.00 0.00 C ATOM 213 CD1 TRP A 18 -2.017 9.243 1.250 1.00 0.00 C ATOM 214 CD2 TRP A 18 -0.215 8.251 2.136 1.00 0.00 C ATOM 215 NE1 TRP A 18 -2.419 8.043 1.785 1.00 0.00 N ATOM 216 CE2 TRP A 18 -1.332 7.415 2.334 1.00 0.00 C ATOM 217 CE3 TRP A 18 1.031 7.832 2.609 1.00 0.00 C ATOM 218 CZ2 TRP A 18 -1.237 6.188 2.986 1.00 0.00 C ATOM 219 CZ3 TRP A 18 1.123 6.615 3.256 1.00 0.00 C ATOM 220 CH2 TRP A 18 -0.005 5.804 3.439 1.00 0.00 C ATOM 0 H TRP A 18 -1.281 12.847 1.676 1.00 0.00 H new ATOM 0 HA TRP A 18 0.716 11.113 3.014 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -0.330 11.070 0.159 1.00 0.00 H new ATOM 0 HB3 TRP A 18 1.123 10.230 0.665 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -2.667 9.948 0.752 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -3.372 7.679 1.775 1.00 0.00 H new ATOM 0 HE3 TRP A 18 1.907 8.449 2.471 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -2.105 5.562 3.129 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 2.081 6.283 3.627 1.00 0.00 H new ATOM 0 HH2 TRP A 18 0.101 4.857 3.948 1.00 0.00 H new ATOM 231 N GLU A 19 2.619 12.502 2.247 1.00 0.00 N ATOM 232 CA GLU A 19 3.715 13.407 1.922 1.00 0.00 C ATOM 233 C GLU A 19 5.003 12.632 1.663 1.00 0.00 C ATOM 234 O GLU A 19 5.543 11.985 2.561 1.00 0.00 O ATOM 235 CB GLU A 19 3.930 14.410 3.058 1.00 0.00 C ATOM 236 CG GLU A 19 4.992 15.454 2.755 1.00 0.00 C ATOM 237 CD GLU A 19 5.220 16.407 3.912 1.00 0.00 C ATOM 238 OE1 GLU A 19 5.600 15.934 5.004 1.00 0.00 O ATOM 239 OE2 GLU A 19 5.017 17.625 3.726 1.00 0.00 O ATOM 0 H GLU A 19 2.856 11.778 2.926 1.00 0.00 H new ATOM 0 HA GLU A 19 3.449 13.948 1.014 1.00 0.00 H new ATOM 0 HB2 GLU A 19 2.987 14.914 3.270 1.00 0.00 H new ATOM 0 HB3 GLU A 19 4.212 13.869 3.961 1.00 0.00 H new ATOM 0 HG2 GLU A 19 5.929 14.953 2.511 1.00 0.00 H new ATOM 0 HG3 GLU A 19 4.696 16.023 1.874 1.00 0.00 H new ATOM 246 N LYS A 20 5.490 12.701 0.429 1.00 0.00 N ATOM 247 CA LYS A 20 6.715 12.007 0.049 1.00 0.00 C ATOM 248 C LYS A 20 7.944 12.760 0.548 1.00 0.00 C ATOM 249 O LYS A 20 8.208 13.886 0.123 1.00 0.00 O ATOM 250 CB LYS A 20 6.784 11.846 -1.471 1.00 0.00 C ATOM 251 CG LYS A 20 8.087 11.237 -1.959 1.00 0.00 C ATOM 252 CD LYS A 20 8.119 11.130 -3.475 1.00 0.00 C ATOM 253 CE LYS A 20 9.516 10.804 -3.981 1.00 0.00 C ATOM 254 NZ LYS A 20 9.734 11.304 -5.367 1.00 0.00 N ATOM 0 H LYS A 20 5.055 13.231 -0.326 1.00 0.00 H new ATOM 0 HA LYS A 20 6.703 11.020 0.512 1.00 0.00 H new ATOM 0 HB2 LYS A 20 5.954 11.220 -1.800 1.00 0.00 H new ATOM 0 HB3 LYS A 20 6.651 12.822 -1.938 1.00 0.00 H new ATOM 0 HG2 LYS A 20 8.924 11.846 -1.619 1.00 0.00 H new ATOM 0 HG3 LYS A 20 8.214 10.247 -1.521 1.00 0.00 H new ATOM 0 HD2 LYS A 20 7.423 10.357 -3.801 1.00 0.00 H new ATOM 0 HD3 LYS A 20 7.781 12.069 -3.914 1.00 0.00 H new ATOM 0 HE2 LYS A 20 10.256 11.247 -3.315 1.00 0.00 H new ATOM 0 HE3 LYS A 20 9.669 9.725 -3.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 10.697 11.062 -5.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 9.044 10.863 -6.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 9.613 12.337 -5.387 1.00 0.00 H new ATOM 268 N ILE A 21 8.692 12.132 1.448 1.00 0.00 N ATOM 269 CA ILE A 21 9.895 12.743 2.001 1.00 0.00 C ATOM 270 C ILE A 21 11.148 12.006 1.541 1.00 0.00 C ATOM 271 O ILE A 21 11.294 10.806 1.774 1.00 0.00 O ATOM 272 CB ILE A 21 9.860 12.762 3.541 1.00 0.00 C ATOM 273 CG1 ILE A 21 8.900 13.845 4.038 1.00 0.00 C ATOM 274 CG2 ILE A 21 11.257 12.986 4.100 1.00 0.00 C ATOM 275 CD1 ILE A 21 7.441 13.476 3.886 1.00 0.00 C ATOM 0 H ILE A 21 8.487 11.201 1.810 1.00 0.00 H new ATOM 0 HA ILE A 21 9.925 13.769 1.634 1.00 0.00 H new ATOM 0 HB ILE A 21 9.500 11.795 3.894 1.00 0.00 H new ATOM 0 HG12 ILE A 21 9.107 14.048 5.089 1.00 0.00 H new ATOM 0 HG13 ILE A 21 9.092 14.768 3.491 1.00 0.00 H new ATOM 0 HG21 ILE A 21 11.216 12.997 5.189 1.00 0.00 H new ATOM 0 HG22 ILE A 21 11.914 12.182 3.770 1.00 0.00 H new ATOM 0 HG23 ILE A 21 11.643 13.940 3.742 1.00 0.00 H new ATOM 0 HD11 ILE A 21 6.819 14.290 4.259 1.00 0.00 H new ATOM 0 HD12 ILE A 21 7.218 13.301 2.834 1.00 0.00 H new ATOM 0 HD13 ILE A 21 7.233 12.571 4.456 1.00 0.00 H new ATOM 287 N GLU A 22 12.049 12.733 0.889 1.00 0.00 N ATOM 288 CA GLU A 22 13.291 12.147 0.397 1.00 0.00 C ATOM 289 C GLU A 22 14.440 12.416 1.364 1.00 0.00 C ATOM 290 O GLU A 22 14.804 13.567 1.608 1.00 0.00 O ATOM 291 CB GLU A 22 13.632 12.705 -0.986 1.00 0.00 C ATOM 292 CG GLU A 22 12.486 12.614 -1.979 1.00 0.00 C ATOM 293 CD GLU A 22 12.514 13.728 -3.007 1.00 0.00 C ATOM 294 OE1 GLU A 22 13.354 13.665 -3.928 1.00 0.00 O ATOM 295 OE2 GLU A 22 11.695 14.664 -2.889 1.00 0.00 O ATOM 0 H GLU A 22 11.943 13.728 0.689 1.00 0.00 H new ATOM 0 HA GLU A 22 13.149 11.069 0.320 1.00 0.00 H new ATOM 0 HB2 GLU A 22 13.931 13.748 -0.884 1.00 0.00 H new ATOM 0 HB3 GLU A 22 14.491 12.165 -1.385 1.00 0.00 H new ATOM 0 HG2 GLU A 22 12.529 11.652 -2.490 1.00 0.00 H new ATOM 0 HG3 GLU A 22 11.539 12.646 -1.439 1.00 0.00 H new ATOM 302 N ASP A 23 15.007 11.347 1.912 1.00 0.00 N ATOM 303 CA ASP A 23 16.115 11.467 2.853 1.00 0.00 C ATOM 304 C ASP A 23 17.340 10.710 2.348 1.00 0.00 C ATOM 305 O ASP A 23 17.234 9.660 1.715 1.00 0.00 O ATOM 306 CB ASP A 23 15.705 10.939 4.228 1.00 0.00 C ATOM 307 CG ASP A 23 15.116 12.021 5.112 1.00 0.00 C ATOM 308 OD1 ASP A 23 15.593 13.173 5.036 1.00 0.00 O ATOM 309 OD2 ASP A 23 14.179 11.716 5.878 1.00 0.00 O ATOM 0 H ASP A 23 14.718 10.388 1.721 1.00 0.00 H new ATOM 0 HA ASP A 23 16.372 12.523 2.941 1.00 0.00 H new ATOM 0 HB2 ASP A 23 14.976 10.138 4.104 1.00 0.00 H new ATOM 0 HB3 ASP A 23 16.575 10.504 4.721 1.00 0.00 H new ATOM 314 N PRO A 24 18.532 11.255 2.634 1.00 0.00 N ATOM 315 CA PRO A 24 19.800 10.647 2.219 1.00 0.00 C ATOM 316 C PRO A 24 20.099 9.356 2.973 1.00 0.00 C ATOM 317 O PRO A 24 20.713 8.437 2.431 1.00 0.00 O ATOM 318 CB PRO A 24 20.836 11.720 2.562 1.00 0.00 C ATOM 319 CG PRO A 24 20.212 12.512 3.659 1.00 0.00 C ATOM 320 CD PRO A 24 18.734 12.505 3.386 1.00 0.00 C ATOM 0 HA PRO A 24 19.791 10.364 1.166 1.00 0.00 H new ATOM 0 HB2 PRO A 24 21.777 11.273 2.882 1.00 0.00 H new ATOM 0 HB3 PRO A 24 21.058 12.347 1.698 1.00 0.00 H new ATOM 0 HG2 PRO A 24 20.431 12.072 4.632 1.00 0.00 H new ATOM 0 HG3 PRO A 24 20.601 13.530 3.675 1.00 0.00 H new ATOM 0 HD2 PRO A 24 18.155 12.517 4.309 1.00 0.00 H new ATOM 0 HD3 PRO A 24 18.428 13.376 2.807 1.00 0.00 H new ATOM 328 N VAL A 25 19.662 9.294 4.227 1.00 0.00 N ATOM 329 CA VAL A 25 19.882 8.114 5.055 1.00 0.00 C ATOM 330 C VAL A 25 18.612 7.278 5.168 1.00 0.00 C ATOM 331 O VAL A 25 18.647 6.055 5.025 1.00 0.00 O ATOM 332 CB VAL A 25 20.356 8.502 6.468 1.00 0.00 C ATOM 333 CG1 VAL A 25 20.638 7.257 7.296 1.00 0.00 C ATOM 334 CG2 VAL A 25 21.586 9.392 6.392 1.00 0.00 C ATOM 0 H VAL A 25 19.154 10.047 4.691 1.00 0.00 H new ATOM 0 HA VAL A 25 20.659 7.525 4.568 1.00 0.00 H new ATOM 0 HB VAL A 25 19.561 9.063 6.958 1.00 0.00 H new ATOM 0 HG11 VAL A 25 20.972 7.550 8.291 1.00 0.00 H new ATOM 0 HG12 VAL A 25 19.729 6.662 7.379 1.00 0.00 H new ATOM 0 HG13 VAL A 25 21.416 6.666 6.812 1.00 0.00 H new ATOM 0 HG21 VAL A 25 21.907 9.656 7.400 1.00 0.00 H new ATOM 0 HG22 VAL A 25 22.390 8.859 5.883 1.00 0.00 H new ATOM 0 HG23 VAL A 25 21.345 10.299 5.838 1.00 0.00 H new ATOM 344 N TYR A 26 17.492 7.944 5.425 1.00 0.00 N ATOM 345 CA TYR A 26 16.211 7.262 5.559 1.00 0.00 C ATOM 346 C TYR A 26 15.647 6.888 4.191 1.00 0.00 C ATOM 347 O TYR A 26 14.954 5.882 4.047 1.00 0.00 O ATOM 348 CB TYR A 26 15.214 8.147 6.309 1.00 0.00 C ATOM 349 CG TYR A 26 15.669 8.526 7.700 1.00 0.00 C ATOM 350 CD1 TYR A 26 16.642 9.499 7.893 1.00 0.00 C ATOM 351 CD2 TYR A 26 15.124 7.912 8.822 1.00 0.00 C ATOM 352 CE1 TYR A 26 17.061 9.848 9.163 1.00 0.00 C ATOM 353 CE2 TYR A 26 15.536 8.256 10.095 1.00 0.00 C ATOM 354 CZ TYR A 26 16.505 9.224 10.260 1.00 0.00 C ATOM 355 OH TYR A 26 16.919 9.570 11.526 1.00 0.00 O ATOM 0 H TYR A 26 17.446 8.956 5.545 1.00 0.00 H new ATOM 0 HA TYR A 26 16.374 6.347 6.128 1.00 0.00 H new ATOM 0 HB2 TYR A 26 15.042 9.056 5.732 1.00 0.00 H new ATOM 0 HB3 TYR A 26 14.259 7.627 6.377 1.00 0.00 H new ATOM 0 HD1 TYR A 26 17.078 9.991 7.036 1.00 0.00 H new ATOM 0 HD2 TYR A 26 14.366 7.153 8.696 1.00 0.00 H new ATOM 0 HE1 TYR A 26 17.820 10.605 9.296 1.00 0.00 H new ATOM 0 HE2 TYR A 26 15.102 7.770 10.956 1.00 0.00 H new ATOM 0 HH TYR A 26 16.428 9.039 12.187 1.00 0.00 H new ATOM 365 N GLY A 27 15.950 7.707 3.189 1.00 0.00 N ATOM 366 CA GLY A 27 15.467 7.447 1.846 1.00 0.00 C ATOM 367 C GLY A 27 14.131 8.110 1.571 1.00 0.00 C ATOM 368 O GLY A 27 13.721 9.018 2.295 1.00 0.00 O ATOM 0 H GLY A 27 16.522 8.546 3.284 1.00 0.00 H new ATOM 0 HA2 GLY A 27 16.201 7.804 1.124 1.00 0.00 H new ATOM 0 HA3 GLY A 27 15.372 6.371 1.699 1.00 0.00 H new ATOM 372 N ILE A 28 13.452 7.657 0.523 1.00 0.00 N ATOM 373 CA ILE A 28 12.156 8.213 0.155 1.00 0.00 C ATOM 374 C ILE A 28 11.020 7.451 0.828 1.00 0.00 C ATOM 375 O ILE A 28 10.821 6.262 0.577 1.00 0.00 O ATOM 376 CB ILE A 28 11.944 8.185 -1.371 1.00 0.00 C ATOM 377 CG1 ILE A 28 13.077 8.931 -2.079 1.00 0.00 C ATOM 378 CG2 ILE A 28 10.597 8.794 -1.729 1.00 0.00 C ATOM 379 CD1 ILE A 28 12.874 9.063 -3.572 1.00 0.00 C ATOM 0 H ILE A 28 13.778 6.907 -0.086 1.00 0.00 H new ATOM 0 HA ILE A 28 12.149 9.248 0.496 1.00 0.00 H new ATOM 0 HB ILE A 28 11.953 7.148 -1.706 1.00 0.00 H new ATOM 0 HG12 ILE A 28 13.173 9.926 -1.644 1.00 0.00 H new ATOM 0 HG13 ILE A 28 14.016 8.410 -1.893 1.00 0.00 H new ATOM 0 HG21 ILE A 28 10.461 8.767 -2.810 1.00 0.00 H new ATOM 0 HG22 ILE A 28 9.801 8.224 -1.249 1.00 0.00 H new ATOM 0 HG23 ILE A 28 10.562 9.828 -1.384 1.00 0.00 H new ATOM 0 HD11 ILE A 28 13.715 9.602 -4.007 1.00 0.00 H new ATOM 0 HD12 ILE A 28 12.808 8.071 -4.019 1.00 0.00 H new ATOM 0 HD13 ILE A 28 11.952 9.611 -3.767 1.00 0.00 H new ATOM 391 N TYR A 29 10.276 8.144 1.683 1.00 0.00 N ATOM 392 CA TYR A 29 9.159 7.533 2.394 1.00 0.00 C ATOM 393 C TYR A 29 8.002 8.517 2.539 1.00 0.00 C ATOM 394 O TYR A 29 8.211 9.720 2.696 1.00 0.00 O ATOM 395 CB TYR A 29 9.609 7.050 3.774 1.00 0.00 C ATOM 396 CG TYR A 29 10.074 8.165 4.684 1.00 0.00 C ATOM 397 CD1 TYR A 29 11.405 8.564 4.700 1.00 0.00 C ATOM 398 CD2 TYR A 29 9.184 8.817 5.527 1.00 0.00 C ATOM 399 CE1 TYR A 29 11.836 9.582 5.530 1.00 0.00 C ATOM 400 CE2 TYR A 29 9.606 9.837 6.359 1.00 0.00 C ATOM 401 CZ TYR A 29 10.932 10.215 6.357 1.00 0.00 C ATOM 402 OH TYR A 29 11.356 11.229 7.185 1.00 0.00 O ATOM 0 H TYR A 29 10.426 9.129 1.901 1.00 0.00 H new ATOM 0 HA TYR A 29 8.814 6.678 1.812 1.00 0.00 H new ATOM 0 HB2 TYR A 29 8.784 6.523 4.252 1.00 0.00 H new ATOM 0 HB3 TYR A 29 10.419 6.331 3.652 1.00 0.00 H new ATOM 0 HD1 TYR A 29 12.115 8.070 4.053 1.00 0.00 H new ATOM 0 HD2 TYR A 29 8.145 8.522 5.533 1.00 0.00 H new ATOM 0 HE1 TYR A 29 12.874 9.880 5.531 1.00 0.00 H new ATOM 0 HE2 TYR A 29 8.901 10.335 7.007 1.00 0.00 H new ATOM 0 HH TYR A 29 12.256 11.512 6.921 1.00 0.00 H new ATOM 412 N TYR A 30 6.781 7.996 2.486 1.00 0.00 N ATOM 413 CA TYR A 30 5.590 8.827 2.610 1.00 0.00 C ATOM 414 C TYR A 30 5.123 8.898 4.061 1.00 0.00 C ATOM 415 O TYR A 30 5.026 7.879 4.745 1.00 0.00 O ATOM 416 CB TYR A 30 4.467 8.279 1.728 1.00 0.00 C ATOM 417 CG TYR A 30 4.954 7.692 0.422 1.00 0.00 C ATOM 418 CD1 TYR A 30 5.397 8.511 -0.608 1.00 0.00 C ATOM 419 CD2 TYR A 30 4.972 6.317 0.220 1.00 0.00 C ATOM 420 CE1 TYR A 30 5.843 7.979 -1.803 1.00 0.00 C ATOM 421 CE2 TYR A 30 5.416 5.776 -0.971 1.00 0.00 C ATOM 422 CZ TYR A 30 5.851 6.611 -1.979 1.00 0.00 C ATOM 423 OH TYR A 30 6.295 6.077 -3.167 1.00 0.00 O ATOM 0 H TYR A 30 6.590 7.002 2.358 1.00 0.00 H new ATOM 0 HA TYR A 30 5.845 9.834 2.280 1.00 0.00 H new ATOM 0 HB2 TYR A 30 3.923 7.513 2.281 1.00 0.00 H new ATOM 0 HB3 TYR A 30 3.760 9.081 1.515 1.00 0.00 H new ATOM 0 HD1 TYR A 30 5.393 9.583 -0.473 1.00 0.00 H new ATOM 0 HD2 TYR A 30 4.633 5.660 1.008 1.00 0.00 H new ATOM 0 HE1 TYR A 30 6.183 8.631 -2.594 1.00 0.00 H new ATOM 0 HE2 TYR A 30 5.422 4.705 -1.112 1.00 0.00 H new ATOM 0 HH TYR A 30 6.953 5.374 -2.984 1.00 0.00 H new ATOM 433 N VAL A 31 4.835 10.110 4.524 1.00 0.00 N ATOM 434 CA VAL A 31 4.376 10.316 5.893 1.00 0.00 C ATOM 435 C VAL A 31 2.917 10.756 5.923 1.00 0.00 C ATOM 436 O VAL A 31 2.453 11.464 5.029 1.00 0.00 O ATOM 437 CB VAL A 31 5.234 11.370 6.619 1.00 0.00 C ATOM 438 CG1 VAL A 31 4.946 12.760 6.075 1.00 0.00 C ATOM 439 CG2 VAL A 31 4.988 11.314 8.119 1.00 0.00 C ATOM 0 H VAL A 31 4.911 10.964 3.972 1.00 0.00 H new ATOM 0 HA VAL A 31 4.474 9.360 6.408 1.00 0.00 H new ATOM 0 HB VAL A 31 6.285 11.146 6.437 1.00 0.00 H new ATOM 0 HG11 VAL A 31 5.561 13.491 6.600 1.00 0.00 H new ATOM 0 HG12 VAL A 31 5.177 12.789 5.010 1.00 0.00 H new ATOM 0 HG13 VAL A 31 3.893 12.998 6.224 1.00 0.00 H new ATOM 0 HG21 VAL A 31 5.602 12.065 8.617 1.00 0.00 H new ATOM 0 HG22 VAL A 31 3.936 11.512 8.323 1.00 0.00 H new ATOM 0 HG23 VAL A 31 5.250 10.325 8.494 1.00 0.00 H new ATOM 449 N ASP A 32 2.199 10.333 6.957 1.00 0.00 N ATOM 450 CA ASP A 32 0.791 10.684 7.106 1.00 0.00 C ATOM 451 C ASP A 32 0.620 11.833 8.095 1.00 0.00 C ATOM 452 O ASP A 32 0.930 11.698 9.279 1.00 0.00 O ATOM 453 CB ASP A 32 -0.013 9.469 7.571 1.00 0.00 C ATOM 454 CG ASP A 32 -1.498 9.624 7.308 1.00 0.00 C ATOM 455 OD1 ASP A 32 -1.989 10.772 7.333 1.00 0.00 O ATOM 456 OD2 ASP A 32 -2.170 8.597 7.078 1.00 0.00 O ATOM 0 H ASP A 32 2.569 9.746 7.705 1.00 0.00 H new ATOM 0 HA ASP A 32 0.417 11.006 6.134 1.00 0.00 H new ATOM 0 HB2 ASP A 32 0.353 8.578 7.061 1.00 0.00 H new ATOM 0 HB3 ASP A 32 0.150 9.315 8.638 1.00 0.00 H new ATOM 461 N HIS A 33 0.124 12.963 7.601 1.00 0.00 N ATOM 462 CA HIS A 33 -0.089 14.136 8.442 1.00 0.00 C ATOM 463 C HIS A 33 -1.434 14.055 9.157 1.00 0.00 C ATOM 464 O HIS A 33 -1.874 15.020 9.783 1.00 0.00 O ATOM 465 CB HIS A 33 -0.021 15.411 7.601 1.00 0.00 C ATOM 466 CG HIS A 33 1.334 15.674 7.020 1.00 0.00 C ATOM 467 ND1 HIS A 33 1.678 16.869 6.423 1.00 0.00 N ATOM 468 CD2 HIS A 33 2.433 14.888 6.947 1.00 0.00 C ATOM 469 CE1 HIS A 33 2.930 16.806 6.007 1.00 0.00 C ATOM 470 NE2 HIS A 33 3.412 15.614 6.313 1.00 0.00 N ATOM 0 H HIS A 33 -0.138 13.091 6.624 1.00 0.00 H new ATOM 0 HA HIS A 33 0.700 14.162 9.193 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -0.747 15.341 6.791 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -0.313 16.260 8.219 1.00 0.00 H new ATOM 0 HD2 HIS A 33 2.524 13.878 7.318 1.00 0.00 H new ATOM 0 HE1 HIS A 33 3.468 17.595 5.502 1.00 0.00 H new ATOM 0 HE2 HIS A 33 4.357 15.287 6.111 1.00 0.00 H new ATOM 478 N ILE A 34 -2.082 12.899 9.059 1.00 0.00 N ATOM 479 CA ILE A 34 -3.377 12.693 9.697 1.00 0.00 C ATOM 480 C ILE A 34 -3.326 11.529 10.680 1.00 0.00 C ATOM 481 O ILE A 34 -3.861 11.612 11.785 1.00 0.00 O ATOM 482 CB ILE A 34 -4.480 12.425 8.657 1.00 0.00 C ATOM 483 CG1 ILE A 34 -4.585 13.596 7.678 1.00 0.00 C ATOM 484 CG2 ILE A 34 -5.814 12.186 9.350 1.00 0.00 C ATOM 485 CD1 ILE A 34 -3.425 13.679 6.710 1.00 0.00 C ATOM 0 H ILE A 34 -1.732 12.091 8.544 1.00 0.00 H new ATOM 0 HA ILE A 34 -3.613 13.610 10.236 1.00 0.00 H new ATOM 0 HB ILE A 34 -4.218 11.529 8.095 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -5.513 13.505 7.114 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -4.645 14.527 8.242 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -6.584 11.998 8.602 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -5.731 11.323 10.011 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -6.083 13.066 9.934 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -3.565 14.532 6.046 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -2.495 13.801 7.266 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -3.377 12.764 6.120 1.00 0.00 H new ATOM 497 N ASN A 35 -2.677 10.443 10.271 1.00 0.00 N ATOM 498 CA ASN A 35 -2.554 9.261 11.116 1.00 0.00 C ATOM 499 C ASN A 35 -1.249 9.290 11.905 1.00 0.00 C ATOM 500 O ASN A 35 -1.036 8.473 12.802 1.00 0.00 O ATOM 501 CB ASN A 35 -2.622 7.991 10.266 1.00 0.00 C ATOM 502 CG ASN A 35 -4.040 7.479 10.103 1.00 0.00 C ATOM 503 OD1 ASN A 35 -4.488 6.612 10.854 1.00 0.00 O ATOM 504 ND2 ASN A 35 -4.753 8.014 9.120 1.00 0.00 N ATOM 0 H ASN A 35 -2.228 10.358 9.359 1.00 0.00 H new ATOM 0 HA ASN A 35 -3.384 9.262 11.822 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -2.196 8.192 9.283 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -2.009 7.216 10.726 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -5.714 7.709 8.962 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -4.341 8.730 8.522 1.00 0.00 H new ATOM 511 N ARG A 36 -0.379 10.235 11.566 1.00 0.00 N ATOM 512 CA ARG A 36 0.906 10.370 12.242 1.00 0.00 C ATOM 513 C ARG A 36 1.702 9.071 12.160 1.00 0.00 C ATOM 514 O ARG A 36 2.210 8.577 13.167 1.00 0.00 O ATOM 515 CB ARG A 36 0.697 10.762 13.706 1.00 0.00 C ATOM 516 CG ARG A 36 -0.281 11.910 13.896 1.00 0.00 C ATOM 517 CD ARG A 36 0.316 13.231 13.439 1.00 0.00 C ATOM 518 NE ARG A 36 1.147 13.843 14.473 1.00 0.00 N ATOM 519 CZ ARG A 36 2.103 14.729 14.219 1.00 0.00 C ATOM 520 NH1 ARG A 36 2.349 15.105 12.971 1.00 0.00 N ATOM 521 NH2 ARG A 36 2.817 15.241 15.214 1.00 0.00 N ATOM 0 H ARG A 36 -0.540 10.919 10.827 1.00 0.00 H new ATOM 0 HA ARG A 36 1.472 11.155 11.740 1.00 0.00 H new ATOM 0 HB2 ARG A 36 0.337 9.894 14.258 1.00 0.00 H new ATOM 0 HB3 ARG A 36 1.658 11.039 14.140 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -1.194 11.709 13.335 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -0.562 11.980 14.947 1.00 0.00 H new ATOM 0 HD2 ARG A 36 0.914 13.068 12.543 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -0.486 13.916 13.166 1.00 0.00 H new ATOM 0 HE ARG A 36 0.984 13.575 15.444 1.00 0.00 H new ATOM 0 HH11 ARG A 36 1.803 14.713 12.203 1.00 0.00 H new ATOM 0 HH12 ARG A 36 3.084 15.786 12.779 1.00 0.00 H new ATOM 0 HH21 ARG A 36 2.632 14.954 16.175 1.00 0.00 H new ATOM 0 HH22 ARG A 36 3.551 15.921 15.017 1.00 0.00 H new ATOM 535 N LYS A 37 1.806 8.521 10.955 1.00 0.00 N ATOM 536 CA LYS A 37 2.540 7.280 10.740 1.00 0.00 C ATOM 537 C LYS A 37 3.266 7.303 9.398 1.00 0.00 C ATOM 538 O LYS A 37 2.952 8.111 8.524 1.00 0.00 O ATOM 539 CB LYS A 37 1.588 6.084 10.796 1.00 0.00 C ATOM 540 CG LYS A 37 0.739 5.922 9.547 1.00 0.00 C ATOM 541 CD LYS A 37 0.149 4.525 9.450 1.00 0.00 C ATOM 542 CE LYS A 37 -1.153 4.415 10.229 1.00 0.00 C ATOM 543 NZ LYS A 37 -0.913 4.225 11.686 1.00 0.00 N ATOM 0 H LYS A 37 1.390 8.916 10.111 1.00 0.00 H new ATOM 0 HA LYS A 37 3.281 7.184 11.533 1.00 0.00 H new ATOM 0 HB2 LYS A 37 2.169 5.175 10.950 1.00 0.00 H new ATOM 0 HB3 LYS A 37 0.932 6.193 11.659 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -0.065 6.658 9.555 1.00 0.00 H new ATOM 0 HG3 LYS A 37 1.346 6.123 8.665 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -0.029 4.276 8.404 1.00 0.00 H new ATOM 0 HD3 LYS A 37 0.866 3.799 9.833 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -1.747 5.316 10.073 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -1.736 3.578 9.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -1.665 3.629 12.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 0.008 3.763 11.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -0.914 5.150 12.161 1.00 0.00 H new ATOM 557 N THR A 38 4.238 6.409 9.241 1.00 0.00 N ATOM 558 CA THR A 38 5.008 6.326 8.007 1.00 0.00 C ATOM 559 C THR A 38 5.319 4.878 7.649 1.00 0.00 C ATOM 560 O THR A 38 5.428 4.022 8.527 1.00 0.00 O ATOM 561 CB THR A 38 6.329 7.112 8.114 1.00 0.00 C ATOM 562 OG1 THR A 38 6.998 6.780 9.336 1.00 0.00 O ATOM 563 CG2 THR A 38 6.073 8.610 8.061 1.00 0.00 C ATOM 0 H THR A 38 4.510 5.732 9.954 1.00 0.00 H new ATOM 0 HA THR A 38 4.394 6.768 7.222 1.00 0.00 H new ATOM 0 HB THR A 38 6.960 6.837 7.268 1.00 0.00 H new ATOM 0 HG1 THR A 38 7.837 7.282 9.396 1.00 0.00 H new ATOM 0 HG21 THR A 38 7.020 9.144 8.138 1.00 0.00 H new ATOM 0 HG22 THR A 38 5.590 8.863 7.117 1.00 0.00 H new ATOM 0 HG23 THR A 38 5.426 8.898 8.889 1.00 0.00 H new ATOM 571 N GLN A 39 5.461 4.610 6.355 1.00 0.00 N ATOM 572 CA GLN A 39 5.760 3.264 5.882 1.00 0.00 C ATOM 573 C GLN A 39 6.568 3.307 4.589 1.00 0.00 C ATOM 574 O GLN A 39 6.842 4.381 4.053 1.00 0.00 O ATOM 575 CB GLN A 39 4.466 2.479 5.662 1.00 0.00 C ATOM 576 CG GLN A 39 3.497 3.158 4.708 1.00 0.00 C ATOM 577 CD GLN A 39 2.159 2.449 4.632 1.00 0.00 C ATOM 578 OE1 GLN A 39 1.291 2.643 5.484 1.00 0.00 O ATOM 579 NE2 GLN A 39 1.984 1.622 3.608 1.00 0.00 N ATOM 0 H GLN A 39 5.374 5.307 5.616 1.00 0.00 H new ATOM 0 HA GLN A 39 6.356 2.763 6.645 1.00 0.00 H new ATOM 0 HB2 GLN A 39 4.712 1.491 5.274 1.00 0.00 H new ATOM 0 HB3 GLN A 39 3.973 2.331 6.623 1.00 0.00 H new ATOM 0 HG2 GLN A 39 3.340 4.188 5.028 1.00 0.00 H new ATOM 0 HG3 GLN A 39 3.940 3.197 3.713 1.00 0.00 H new ATOM 0 HE21 GLN A 39 2.730 1.491 2.925 1.00 0.00 H new ATOM 0 HE22 GLN A 39 1.103 1.118 3.504 1.00 0.00 H new ATOM 588 N TYR A 40 6.947 2.134 4.094 1.00 0.00 N ATOM 589 CA TYR A 40 7.726 2.039 2.866 1.00 0.00 C ATOM 590 C TYR A 40 6.828 1.727 1.673 1.00 0.00 C ATOM 591 O TYR A 40 6.864 2.421 0.658 1.00 0.00 O ATOM 592 CB TYR A 40 8.803 0.961 3.003 1.00 0.00 C ATOM 593 CG TYR A 40 10.098 1.470 3.595 1.00 0.00 C ATOM 594 CD1 TYR A 40 10.668 2.657 3.152 1.00 0.00 C ATOM 595 CD2 TYR A 40 10.750 0.764 4.598 1.00 0.00 C ATOM 596 CE1 TYR A 40 11.851 3.125 3.689 1.00 0.00 C ATOM 597 CE2 TYR A 40 11.933 1.226 5.143 1.00 0.00 C ATOM 598 CZ TYR A 40 12.480 2.406 4.685 1.00 0.00 C ATOM 599 OH TYR A 40 13.658 2.870 5.224 1.00 0.00 O ATOM 0 H TYR A 40 6.727 1.236 4.525 1.00 0.00 H new ATOM 0 HA TYR A 40 8.205 3.003 2.695 1.00 0.00 H new ATOM 0 HB2 TYR A 40 8.420 0.154 3.628 1.00 0.00 H new ATOM 0 HB3 TYR A 40 9.005 0.535 2.020 1.00 0.00 H new ATOM 0 HD1 TYR A 40 10.177 3.223 2.374 1.00 0.00 H new ATOM 0 HD2 TYR A 40 10.325 -0.161 4.958 1.00 0.00 H new ATOM 0 HE1 TYR A 40 12.282 4.049 3.332 1.00 0.00 H new ATOM 0 HE2 TYR A 40 12.426 0.666 5.923 1.00 0.00 H new ATOM 0 HH TYR A 40 13.970 2.248 5.914 1.00 0.00 H new ATOM 609 N GLU A 41 6.022 0.678 1.806 1.00 0.00 N ATOM 610 CA GLU A 41 5.113 0.274 0.739 1.00 0.00 C ATOM 611 C GLU A 41 4.118 1.387 0.421 1.00 0.00 C ATOM 612 O GLU A 41 3.306 1.767 1.263 1.00 0.00 O ATOM 613 CB GLU A 41 4.362 -0.999 1.134 1.00 0.00 C ATOM 614 CG GLU A 41 3.398 -1.492 0.068 1.00 0.00 C ATOM 615 CD GLU A 41 3.200 -2.995 0.111 1.00 0.00 C ATOM 616 OE1 GLU A 41 3.071 -3.546 1.225 1.00 0.00 O ATOM 617 OE2 GLU A 41 3.173 -3.621 -0.969 1.00 0.00 O ATOM 0 H GLU A 41 5.980 0.093 2.641 1.00 0.00 H new ATOM 0 HA GLU A 41 5.706 0.075 -0.153 1.00 0.00 H new ATOM 0 HB2 GLU A 41 5.085 -1.785 1.350 1.00 0.00 H new ATOM 0 HB3 GLU A 41 3.809 -0.814 2.055 1.00 0.00 H new ATOM 0 HG2 GLU A 41 2.435 -0.998 0.198 1.00 0.00 H new ATOM 0 HG3 GLU A 41 3.772 -1.206 -0.915 1.00 0.00 H new ATOM 624 N ASN A 42 4.190 1.904 -0.801 1.00 0.00 N ATOM 625 CA ASN A 42 3.297 2.974 -1.231 1.00 0.00 C ATOM 626 C ASN A 42 1.837 2.574 -1.042 1.00 0.00 C ATOM 627 O ASN A 42 1.442 1.436 -1.295 1.00 0.00 O ATOM 628 CB ASN A 42 3.555 3.324 -2.698 1.00 0.00 C ATOM 629 CG ASN A 42 2.977 4.672 -3.082 1.00 0.00 C ATOM 630 OD1 ASN A 42 1.658 4.732 -3.223 1.00 0.00 O flip ATOM 631 ND2 ASN A 42 3.709 5.649 -3.249 1.00 0.00 N flip ATOM 0 H ASN A 42 4.857 1.600 -1.510 1.00 0.00 H new ATOM 0 HA ASN A 42 3.498 3.850 -0.614 1.00 0.00 H new ATOM 0 HB2 ASN A 42 4.629 3.326 -2.885 1.00 0.00 H new ATOM 0 HB3 ASN A 42 3.122 2.552 -3.334 1.00 0.00 H new ATOM 0 HD21 ASN A 42 4.718 5.557 -3.130 1.00 0.00 H new ATOM 0 HD22 ASN A 42 3.306 6.550 -3.506 1.00 0.00 H new ATOM 638 N PRO A 43 1.015 3.531 -0.585 1.00 0.00 N ATOM 639 CA PRO A 43 -0.414 3.302 -0.352 1.00 0.00 C ATOM 640 C PRO A 43 -1.190 3.118 -1.652 1.00 0.00 C ATOM 641 O PRO A 43 -1.967 2.174 -1.794 1.00 0.00 O ATOM 642 CB PRO A 43 -0.865 4.577 0.364 1.00 0.00 C ATOM 643 CG PRO A 43 0.107 5.620 -0.070 1.00 0.00 C ATOM 644 CD PRO A 43 1.418 4.910 -0.261 1.00 0.00 C ATOM 0 HA PRO A 43 -0.594 2.391 0.218 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -1.884 4.847 0.088 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -0.851 4.449 1.446 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -0.218 6.095 -0.996 1.00 0.00 H new ATOM 0 HG3 PRO A 43 0.195 6.407 0.679 1.00 0.00 H new ATOM 0 HD2 PRO A 43 2.004 5.357 -1.064 1.00 0.00 H new ATOM 0 HD3 PRO A 43 2.031 4.949 0.640 1.00 0.00 H new ATOM 652 N VAL A 44 -0.976 4.027 -2.598 1.00 0.00 N ATOM 653 CA VAL A 44 -1.655 3.964 -3.886 1.00 0.00 C ATOM 654 C VAL A 44 -1.591 2.558 -4.473 1.00 0.00 C ATOM 655 O VAL A 44 -2.564 2.069 -5.049 1.00 0.00 O ATOM 656 CB VAL A 44 -1.042 4.956 -4.893 1.00 0.00 C ATOM 657 CG1 VAL A 44 -1.691 4.799 -6.260 1.00 0.00 C ATOM 658 CG2 VAL A 44 -1.185 6.384 -4.387 1.00 0.00 C ATOM 0 H VAL A 44 -0.337 4.816 -2.496 1.00 0.00 H new ATOM 0 HA VAL A 44 -2.696 4.234 -3.708 1.00 0.00 H new ATOM 0 HB VAL A 44 0.020 4.735 -4.994 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -1.245 5.508 -6.958 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -1.533 3.784 -6.623 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -2.761 4.993 -6.179 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -0.747 7.072 -5.110 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -2.241 6.620 -4.256 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -0.670 6.485 -3.432 1.00 0.00 H new ATOM 668 N LEU A 45 -0.440 1.912 -4.322 1.00 0.00 N ATOM 669 CA LEU A 45 -0.249 0.560 -4.836 1.00 0.00 C ATOM 670 C LEU A 45 -1.077 -0.447 -4.044 1.00 0.00 C ATOM 671 O LEU A 45 -1.758 -1.294 -4.620 1.00 0.00 O ATOM 672 CB LEU A 45 1.231 0.177 -4.780 1.00 0.00 C ATOM 673 CG LEU A 45 2.204 1.155 -5.439 1.00 0.00 C ATOM 674 CD1 LEU A 45 3.638 0.813 -5.069 1.00 0.00 C ATOM 675 CD2 LEU A 45 2.024 1.148 -6.950 1.00 0.00 C ATOM 0 H LEU A 45 0.375 2.302 -3.848 1.00 0.00 H new ATOM 0 HA LEU A 45 -0.584 0.542 -5.873 1.00 0.00 H new ATOM 0 HB2 LEU A 45 1.516 0.061 -3.734 1.00 0.00 H new ATOM 0 HB3 LEU A 45 1.351 -0.798 -5.253 1.00 0.00 H new ATOM 0 HG LEU A 45 1.986 2.158 -5.072 1.00 0.00 H new ATOM 0 HD11 LEU A 45 4.316 1.520 -5.547 1.00 0.00 H new ATOM 0 HD12 LEU A 45 3.758 0.870 -3.987 1.00 0.00 H new ATOM 0 HD13 LEU A 45 3.870 -0.197 -5.407 1.00 0.00 H new ATOM 0 HD21 LEU A 45 2.724 1.850 -7.403 1.00 0.00 H new ATOM 0 HD22 LEU A 45 2.214 0.146 -7.334 1.00 0.00 H new ATOM 0 HD23 LEU A 45 1.004 1.443 -7.196 1.00 0.00 H new ATOM 687 N GLU A 46 -1.014 -0.345 -2.720 1.00 0.00 N ATOM 688 CA GLU A 46 -1.760 -1.246 -1.849 1.00 0.00 C ATOM 689 C GLU A 46 -3.256 -1.170 -2.141 1.00 0.00 C ATOM 690 O GLU A 46 -3.854 -2.128 -2.629 1.00 0.00 O ATOM 691 CB GLU A 46 -1.498 -0.906 -0.381 1.00 0.00 C ATOM 692 CG GLU A 46 -2.590 -1.387 0.560 1.00 0.00 C ATOM 693 CD GLU A 46 -2.078 -1.643 1.965 1.00 0.00 C ATOM 694 OE1 GLU A 46 -1.515 -2.732 2.202 1.00 0.00 O ATOM 695 OE2 GLU A 46 -2.242 -0.754 2.826 1.00 0.00 O ATOM 0 H GLU A 46 -0.455 0.352 -2.228 1.00 0.00 H new ATOM 0 HA GLU A 46 -1.420 -2.263 -2.045 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -0.549 -1.348 -0.078 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -1.393 0.174 -0.280 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -3.386 -0.643 0.597 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -3.028 -2.303 0.164 1.00 0.00 H new ATOM 702 N ALA A 47 -3.855 -0.023 -1.836 1.00 0.00 N ATOM 703 CA ALA A 47 -5.280 0.180 -2.067 1.00 0.00 C ATOM 704 C ALA A 47 -5.687 -0.310 -3.452 1.00 0.00 C ATOM 705 O ALA A 47 -6.632 -1.085 -3.595 1.00 0.00 O ATOM 706 CB ALA A 47 -5.638 1.649 -1.897 1.00 0.00 C ATOM 0 H ALA A 47 -3.375 0.780 -1.428 1.00 0.00 H new ATOM 0 HA ALA A 47 -5.830 -0.404 -1.329 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -6.705 1.786 -2.072 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -5.393 1.968 -0.884 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -5.073 2.246 -2.613 1.00 0.00 H new ATOM 712 N LYS A 48 -4.968 0.149 -4.471 1.00 0.00 N ATOM 713 CA LYS A 48 -5.254 -0.242 -5.847 1.00 0.00 C ATOM 714 C LYS A 48 -4.970 -1.726 -6.061 1.00 0.00 C ATOM 715 O LYS A 48 -5.438 -2.323 -7.030 1.00 0.00 O ATOM 716 CB LYS A 48 -4.419 0.593 -6.820 1.00 0.00 C ATOM 717 CG LYS A 48 -3.071 -0.024 -7.150 1.00 0.00 C ATOM 718 CD LYS A 48 -2.363 0.742 -8.255 1.00 0.00 C ATOM 719 CE LYS A 48 -2.191 2.209 -7.894 1.00 0.00 C ATOM 720 NZ LYS A 48 -1.556 2.981 -8.998 1.00 0.00 N ATOM 0 H LYS A 48 -4.183 0.792 -4.370 1.00 0.00 H new ATOM 0 HA LYS A 48 -6.312 -0.061 -6.038 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -4.982 0.730 -7.743 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -4.261 1.583 -6.393 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -2.447 -0.036 -6.257 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -3.209 -1.061 -7.456 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -1.386 0.295 -8.441 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -2.933 0.658 -9.180 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -3.164 2.642 -7.661 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -1.581 2.293 -6.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -1.669 3.999 -8.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -0.544 2.748 -9.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -2.011 2.735 -9.900 1.00 0.00 H new ATOM 734 N ARG A 49 -4.203 -2.314 -5.149 1.00 0.00 N ATOM 735 CA ARG A 49 -3.858 -3.728 -5.238 1.00 0.00 C ATOM 736 C ARG A 49 -4.924 -4.591 -4.570 1.00 0.00 C ATOM 737 O ARG A 49 -5.165 -5.728 -4.978 1.00 0.00 O ATOM 738 CB ARG A 49 -2.497 -3.985 -4.588 1.00 0.00 C ATOM 739 CG ARG A 49 -2.129 -5.457 -4.508 1.00 0.00 C ATOM 740 CD ARG A 49 -0.622 -5.651 -4.433 1.00 0.00 C ATOM 741 NE ARG A 49 -0.224 -7.001 -4.821 1.00 0.00 N ATOM 742 CZ ARG A 49 -0.366 -8.063 -4.036 1.00 0.00 C ATOM 743 NH1 ARG A 49 -0.894 -7.932 -2.827 1.00 0.00 N ATOM 744 NH2 ARG A 49 0.021 -9.260 -4.460 1.00 0.00 N ATOM 0 H ARG A 49 -3.809 -1.834 -4.340 1.00 0.00 H new ATOM 0 HA ARG A 49 -3.806 -3.998 -6.293 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -1.729 -3.457 -5.153 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -2.499 -3.564 -3.582 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -2.599 -5.904 -3.631 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -2.521 -5.979 -5.381 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -0.131 -4.927 -5.083 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -0.281 -5.450 -3.417 1.00 0.00 H new ATOM 0 HE ARG A 49 0.185 -7.136 -5.745 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -1.192 -7.014 -2.498 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -1.002 -8.749 -2.226 1.00 0.00 H new ATOM 0 HH21 ARG A 49 0.428 -9.365 -5.389 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -0.089 -10.075 -3.856 1.00 0.00 H new ATOM 758 N LYS A 50 -5.560 -4.044 -3.539 1.00 0.00 N ATOM 759 CA LYS A 50 -6.601 -4.763 -2.814 1.00 0.00 C ATOM 760 C LYS A 50 -7.980 -4.444 -3.383 1.00 0.00 C ATOM 761 O LYS A 50 -8.947 -5.165 -3.136 1.00 0.00 O ATOM 762 CB LYS A 50 -6.557 -4.403 -1.327 1.00 0.00 C ATOM 763 CG LYS A 50 -6.420 -2.913 -1.066 1.00 0.00 C ATOM 764 CD LYS A 50 -6.946 -2.537 0.309 1.00 0.00 C ATOM 765 CE LYS A 50 -6.025 -3.033 1.413 1.00 0.00 C ATOM 766 NZ LYS A 50 -6.356 -4.424 1.828 1.00 0.00 N ATOM 0 H LYS A 50 -5.373 -3.105 -3.187 1.00 0.00 H new ATOM 0 HA LYS A 50 -6.417 -5.831 -2.929 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -7.466 -4.765 -0.847 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -5.721 -4.924 -0.860 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -5.372 -2.623 -1.147 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -6.965 -2.357 -1.829 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -7.047 -1.454 0.377 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -7.941 -2.959 0.447 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -4.991 -2.993 1.069 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -6.100 -2.369 2.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -6.491 -4.456 2.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -7.230 -4.729 1.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -5.578 -5.060 1.561 1.00 0.00 H new ATOM 780 N LYS A 51 -8.064 -3.361 -4.149 1.00 0.00 N ATOM 781 CA LYS A 51 -9.323 -2.948 -4.756 1.00 0.00 C ATOM 782 C LYS A 51 -9.499 -3.586 -6.130 1.00 0.00 C ATOM 783 O LYS A 51 -10.616 -3.907 -6.537 1.00 0.00 O ATOM 784 CB LYS A 51 -9.378 -1.424 -4.879 1.00 0.00 C ATOM 785 CG LYS A 51 -10.497 -0.926 -5.778 1.00 0.00 C ATOM 786 CD LYS A 51 -10.036 -0.792 -7.220 1.00 0.00 C ATOM 787 CE LYS A 51 -9.150 0.429 -7.411 1.00 0.00 C ATOM 788 NZ LYS A 51 -9.947 1.653 -7.699 1.00 0.00 N ATOM 0 H LYS A 51 -7.274 -2.753 -4.364 1.00 0.00 H new ATOM 0 HA LYS A 51 -10.136 -3.284 -4.112 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -9.502 -0.992 -3.886 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -8.425 -1.065 -5.267 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -11.340 -1.615 -5.727 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -10.852 0.039 -5.417 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -9.490 -1.689 -7.513 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -10.904 -0.719 -7.875 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -8.552 0.588 -6.514 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -8.454 0.248 -8.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -9.307 2.463 -7.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -10.498 1.511 -8.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -10.594 1.841 -6.906 1.00 0.00 H new ATOM 802 N GLN A 52 -8.390 -3.769 -6.840 1.00 0.00 N ATOM 803 CA GLN A 52 -8.423 -4.370 -8.168 1.00 0.00 C ATOM 804 C GLN A 52 -9.078 -5.747 -8.126 1.00 0.00 C ATOM 805 O GLN A 52 -9.691 -6.184 -9.101 1.00 0.00 O ATOM 806 CB GLN A 52 -7.007 -4.482 -8.735 1.00 0.00 C ATOM 807 CG GLN A 52 -6.540 -3.230 -9.458 1.00 0.00 C ATOM 808 CD GLN A 52 -6.883 -3.246 -10.935 1.00 0.00 C ATOM 809 OE1 GLN A 52 -6.484 -4.152 -11.666 1.00 0.00 O ATOM 810 NE2 GLN A 52 -7.626 -2.240 -11.382 1.00 0.00 N ATOM 0 H GLN A 52 -7.458 -3.510 -6.518 1.00 0.00 H new ATOM 0 HA GLN A 52 -9.016 -3.726 -8.817 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -6.315 -4.701 -7.922 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -6.966 -5.326 -9.424 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -6.995 -2.356 -8.993 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -5.461 -3.128 -9.341 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -7.935 -1.510 -10.740 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -7.888 -2.198 -12.367 1.00 0.00 H new ATOM 819 N LEU A 53 -8.944 -6.426 -6.992 1.00 0.00 N ATOM 820 CA LEU A 53 -9.522 -7.754 -6.823 1.00 0.00 C ATOM 821 C LEU A 53 -11.042 -7.705 -6.941 1.00 0.00 C ATOM 822 O LEU A 53 -11.732 -7.273 -6.018 1.00 0.00 O ATOM 823 CB LEU A 53 -9.123 -8.337 -5.467 1.00 0.00 C ATOM 824 CG LEU A 53 -7.623 -8.394 -5.176 1.00 0.00 C ATOM 825 CD1 LEU A 53 -7.366 -8.328 -3.678 1.00 0.00 C ATOM 826 CD2 LEU A 53 -7.012 -9.657 -5.768 1.00 0.00 C ATOM 0 H LEU A 53 -8.440 -6.079 -6.176 1.00 0.00 H new ATOM 0 HA LEU A 53 -9.135 -8.395 -7.615 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -9.602 -7.748 -4.685 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -9.525 -9.348 -5.396 1.00 0.00 H new ATOM 0 HG LEU A 53 -7.149 -7.531 -5.644 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -6.293 -8.370 -3.491 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -7.768 -7.396 -3.281 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -7.853 -9.171 -3.188 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -5.944 -9.681 -5.551 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -7.491 -10.533 -5.330 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -7.163 -9.663 -6.847 1.00 0.00 H new ATOM 838 N GLU A 54 -11.557 -8.153 -8.082 1.00 0.00 N ATOM 839 CA GLU A 54 -12.996 -8.161 -8.318 1.00 0.00 C ATOM 840 C GLU A 54 -13.743 -8.718 -7.110 1.00 0.00 C ATOM 841 O GLU A 54 -13.275 -9.646 -6.451 1.00 0.00 O ATOM 842 CB GLU A 54 -13.326 -8.990 -9.562 1.00 0.00 C ATOM 843 CG GLU A 54 -12.885 -10.440 -9.462 1.00 0.00 C ATOM 844 CD GLU A 54 -12.984 -11.173 -10.785 1.00 0.00 C ATOM 845 OE1 GLU A 54 -12.157 -10.898 -11.680 1.00 0.00 O ATOM 846 OE2 GLU A 54 -13.889 -12.021 -10.927 1.00 0.00 O ATOM 0 H GLU A 54 -11.000 -8.515 -8.856 1.00 0.00 H new ATOM 0 HA GLU A 54 -13.318 -7.132 -8.479 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -14.402 -8.957 -9.735 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -12.850 -8.533 -10.429 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -11.856 -10.479 -9.106 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -13.498 -10.952 -8.721 1.00 0.00 H new ATOM 853 N SER A 55 -14.907 -8.143 -6.825 1.00 0.00 N ATOM 854 CA SER A 55 -15.718 -8.577 -5.693 1.00 0.00 C ATOM 855 C SER A 55 -17.199 -8.592 -6.060 1.00 0.00 C ATOM 856 O SER A 55 -17.740 -7.600 -6.546 1.00 0.00 O ATOM 857 CB SER A 55 -15.488 -7.659 -4.491 1.00 0.00 C ATOM 858 OG SER A 55 -16.073 -8.198 -3.319 1.00 0.00 O ATOM 0 H SER A 55 -15.310 -7.375 -7.362 1.00 0.00 H new ATOM 0 HA SER A 55 -15.416 -9.591 -5.429 1.00 0.00 H new ATOM 0 HB2 SER A 55 -14.418 -7.519 -4.336 1.00 0.00 H new ATOM 0 HB3 SER A 55 -15.912 -6.676 -4.694 1.00 0.00 H new ATOM 0 HG SER A 55 -15.911 -7.594 -2.565 1.00 0.00 H new ATOM 864 N GLY A 56 -17.850 -9.727 -5.823 1.00 0.00 N ATOM 865 CA GLY A 56 -19.262 -9.852 -6.133 1.00 0.00 C ATOM 866 C GLY A 56 -20.129 -9.880 -4.890 1.00 0.00 C ATOM 867 O GLY A 56 -19.732 -9.419 -3.820 1.00 0.00 O ATOM 0 H GLY A 56 -17.424 -10.562 -5.422 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -19.567 -9.019 -6.766 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -19.425 -10.764 -6.707 1.00 0.00 H new ATOM 871 N PRO A 57 -21.344 -10.431 -5.024 1.00 0.00 N ATOM 872 CA PRO A 57 -22.296 -10.529 -3.913 1.00 0.00 C ATOM 873 C PRO A 57 -21.850 -11.532 -2.855 1.00 0.00 C ATOM 874 O PRO A 57 -22.554 -11.768 -1.874 1.00 0.00 O ATOM 875 CB PRO A 57 -23.584 -11.003 -4.591 1.00 0.00 C ATOM 876 CG PRO A 57 -23.128 -11.713 -5.818 1.00 0.00 C ATOM 877 CD PRO A 57 -21.883 -11.000 -6.270 1.00 0.00 C ATOM 0 HA PRO A 57 -22.401 -9.583 -3.381 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -24.154 -11.665 -3.939 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -24.233 -10.163 -4.838 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -22.922 -12.763 -5.608 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -23.895 -11.687 -6.592 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -21.176 -11.684 -6.738 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -22.108 -10.224 -7.002 1.00 0.00 H new ATOM 885 N SER A 58 -20.676 -12.121 -3.062 1.00 0.00 N ATOM 886 CA SER A 58 -20.138 -13.102 -2.127 1.00 0.00 C ATOM 887 C SER A 58 -19.504 -12.414 -0.922 1.00 0.00 C ATOM 888 O SER A 58 -18.636 -11.554 -1.070 1.00 0.00 O ATOM 889 CB SER A 58 -19.104 -13.989 -2.824 1.00 0.00 C ATOM 890 OG SER A 58 -18.860 -15.170 -2.080 1.00 0.00 O ATOM 0 H SER A 58 -20.080 -11.936 -3.869 1.00 0.00 H new ATOM 0 HA SER A 58 -20.962 -13.723 -1.777 1.00 0.00 H new ATOM 0 HB2 SER A 58 -19.458 -14.250 -3.821 1.00 0.00 H new ATOM 0 HB3 SER A 58 -18.173 -13.437 -2.951 1.00 0.00 H new ATOM 0 HG SER A 58 -18.197 -15.720 -2.548 1.00 0.00 H new ATOM 896 N SER A 59 -19.946 -12.799 0.271 1.00 0.00 N ATOM 897 CA SER A 59 -19.426 -12.217 1.503 1.00 0.00 C ATOM 898 C SER A 59 -19.348 -10.697 1.395 1.00 0.00 C ATOM 899 O SER A 59 -18.301 -10.099 1.637 1.00 0.00 O ATOM 900 CB SER A 59 -18.042 -12.788 1.818 1.00 0.00 C ATOM 901 OG SER A 59 -18.145 -14.043 2.469 1.00 0.00 O ATOM 0 H SER A 59 -20.663 -13.511 0.411 1.00 0.00 H new ATOM 0 HA SER A 59 -20.110 -12.472 2.313 1.00 0.00 H new ATOM 0 HB2 SER A 59 -17.472 -12.899 0.895 1.00 0.00 H new ATOM 0 HB3 SER A 59 -17.493 -12.091 2.450 1.00 0.00 H new ATOM 0 HG SER A 59 -17.247 -14.388 2.658 1.00 0.00 H new ATOM 907 N GLY A 60 -20.467 -10.078 1.029 1.00 0.00 N ATOM 908 CA GLY A 60 -20.505 -8.633 0.895 1.00 0.00 C ATOM 909 C GLY A 60 -21.304 -8.184 -0.312 1.00 0.00 C ATOM 910 O GLY A 60 -21.511 -8.955 -1.249 1.00 0.00 O ATOM 0 H GLY A 60 -21.347 -10.551 0.823 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -20.939 -8.199 1.796 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -19.487 -8.252 0.815 1.00 0.00 H new TER 914 GLY A 60