USER MOD reduce.3.24.130724 H: found=0, std=0, add=859, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 857 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 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A -1 SER OG : rot 23:sc= 0.00114 USER MOD Single : A -2 SER OG : rot 180:sc= 0 USER MOD Single : A -4 SER OG : rot 180:sc= 0 USER MOD Single : A -5 SER OG : rot 180:sc= -0.126 USER MOD Single : A -6 GLY N :NH3+ -111:sc= 0.0343 (180deg=0) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ -145:sc= 0.0359 (180deg=-0.0987) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 CYS SG : rot 88:sc= -1.61! USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= -1.07 K(o=-1.1,f=-2.7) USER MOD Single : A 29 ASN : amide:sc= 0.685 K(o=0.68,f=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 34 CYS SG : rot -96:sc= -1.2 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 HIS : no HD1:sc= -9.61! C(o=-9.6!,f=-11!) USER MOD Single : A 44 HIS : no HD1:sc= -0.269 X(o=-0.27,f=-0.33) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot 160:sc= 0 USER MOD Single : A 53 GLN : amide:sc= -0.444 X(o=-0.44,f=-0.66) USER MOD Single : A 54 SER OG : rot -59:sc= 0.166 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 154:sc= 0.00194 (180deg=0) USER MOD Single : A 77 SER OG : rot 34:sc= 0.388 USER MOD Single : A 78 MET CE :methyl -141:sc= -1.1 (180deg=-1.41) USER MOD Single : A 80 HIS :FLIP no HD1:sc= -2.12 F(o=-2.9!,f=-2.1) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 SER OG : rot 170:sc= 0 USER MOD Single : A 89 HIS :FLIP no HD1:sc= -2.86 F(o=-4.7!,f=-2.9) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 MET CE :methyl -114:sc= -3.87 (180deg=-5.83!) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 HIS : no HD1:sc= -1.88 K(o=-1.9,f=-3.6!) USER MOD Single : A 100 SER OG : rot 60:sc= 2 USER MOD Single : A 103 ASN : amide:sc= -0.996 K(o=-1,f=-2.7!) USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -6 21.179 -2.373 -21.775 1.00 0.00 N ATOM 2 CA GLY A -6 21.022 -2.023 -20.376 1.00 0.00 C ATOM 3 C GLY A -6 21.723 -0.727 -20.019 1.00 0.00 C ATOM 4 O GLY A -6 22.727 -0.367 -20.634 1.00 0.00 O ATOM 0 H1 GLY A -6 20.264 -2.280 -22.261 1.00 0.00 H new ATOM 0 H2 GLY A -6 21.872 -1.736 -22.217 1.00 0.00 H new ATOM 0 H3 GLY A -6 21.513 -3.355 -21.852 1.00 0.00 H new ATOM 0 HA2 GLY A -6 19.961 -1.934 -20.144 1.00 0.00 H new ATOM 0 HA3 GLY A -6 21.417 -2.828 -19.757 1.00 0.00 H new ATOM 8 N SER A -5 21.193 -0.024 -19.024 1.00 0.00 N ATOM 9 CA SER A -5 21.772 1.242 -18.590 1.00 0.00 C ATOM 10 C SER A -5 21.481 1.495 -17.114 1.00 0.00 C ATOM 11 O SER A -5 20.428 1.114 -16.603 1.00 0.00 O ATOM 12 CB SER A -5 21.222 2.394 -19.434 1.00 0.00 C ATOM 13 OG SER A -5 21.366 2.126 -20.818 1.00 0.00 O ATOM 0 H SER A -5 20.364 -0.309 -18.503 1.00 0.00 H new ATOM 0 HA SER A -5 22.852 1.185 -18.725 1.00 0.00 H new ATOM 0 HB2 SER A -5 20.169 2.551 -19.198 1.00 0.00 H new ATOM 0 HB3 SER A -5 21.746 3.316 -19.182 1.00 0.00 H new ATOM 0 HG SER A -5 21.006 2.876 -21.336 1.00 0.00 H new ATOM 19 N SER A -4 22.424 2.140 -16.434 1.00 0.00 N ATOM 20 CA SER A -4 22.272 2.441 -15.015 1.00 0.00 C ATOM 21 C SER A -4 21.958 3.919 -14.803 1.00 0.00 C ATOM 22 O SER A -4 22.656 4.793 -15.317 1.00 0.00 O ATOM 23 CB SER A -4 23.544 2.064 -14.253 1.00 0.00 C ATOM 24 OG SER A -4 23.532 0.695 -13.887 1.00 0.00 O ATOM 0 H SER A -4 23.301 2.464 -16.843 1.00 0.00 H new ATOM 0 HA SER A -4 21.439 1.852 -14.632 1.00 0.00 H new ATOM 0 HB2 SER A -4 24.417 2.271 -14.872 1.00 0.00 H new ATOM 0 HB3 SER A -4 23.633 2.682 -13.359 1.00 0.00 H new ATOM 0 HG SER A -4 24.356 0.479 -13.403 1.00 0.00 H new ATOM 30 N GLY A -3 20.902 4.191 -14.042 1.00 0.00 N ATOM 31 CA GLY A -3 20.514 5.563 -13.776 1.00 0.00 C ATOM 32 C GLY A -3 19.252 5.657 -12.941 1.00 0.00 C ATOM 33 O GLY A -3 18.326 6.392 -13.283 1.00 0.00 O ATOM 0 H GLY A -3 20.309 3.485 -13.605 1.00 0.00 H new ATOM 0 HA2 GLY A -3 21.327 6.074 -13.259 1.00 0.00 H new ATOM 0 HA3 GLY A -3 20.360 6.084 -14.721 1.00 0.00 H new ATOM 37 N SER A -2 19.214 4.909 -11.843 1.00 0.00 N ATOM 38 CA SER A -2 18.054 4.906 -10.959 1.00 0.00 C ATOM 39 C SER A -2 18.019 6.169 -10.104 1.00 0.00 C ATOM 40 O SER A -2 18.625 6.224 -9.034 1.00 0.00 O ATOM 41 CB SER A -2 18.073 3.668 -10.060 1.00 0.00 C ATOM 42 OG SER A -2 16.971 3.667 -9.171 1.00 0.00 O ATOM 0 H SER A -2 19.973 4.297 -11.544 1.00 0.00 H new ATOM 0 HA SER A -2 17.157 4.882 -11.578 1.00 0.00 H new ATOM 0 HB2 SER A -2 18.049 2.768 -10.675 1.00 0.00 H new ATOM 0 HB3 SER A -2 19.003 3.642 -9.492 1.00 0.00 H new ATOM 0 HG SER A -2 17.005 2.865 -8.609 1.00 0.00 H new ATOM 48 N SER A -1 17.307 7.183 -10.585 1.00 0.00 N ATOM 49 CA SER A -1 17.195 8.447 -9.868 1.00 0.00 C ATOM 50 C SER A -1 15.783 9.013 -9.980 1.00 0.00 C ATOM 51 O SER A -1 15.070 8.746 -10.946 1.00 0.00 O ATOM 52 CB SER A -1 18.206 9.458 -10.414 1.00 0.00 C ATOM 53 OG SER A -1 19.476 9.287 -9.808 1.00 0.00 O ATOM 0 H SER A -1 16.799 7.153 -11.469 1.00 0.00 H new ATOM 0 HA SER A -1 17.410 8.259 -8.816 1.00 0.00 H new ATOM 0 HB2 SER A -1 18.296 9.340 -11.494 1.00 0.00 H new ATOM 0 HB3 SER A -1 17.846 10.471 -10.233 1.00 0.00 H new ATOM 0 HG SER A -1 19.550 8.376 -9.455 1.00 0.00 H new ATOM 59 N GLY A 0 15.385 9.797 -8.982 1.00 0.00 N ATOM 60 CA GLY A 0 14.060 10.388 -8.986 1.00 0.00 C ATOM 61 C GLY A 0 13.883 11.407 -10.095 1.00 0.00 C ATOM 62 O GLY A 0 13.677 11.045 -11.253 1.00 0.00 O ATOM 0 H GLY A 0 15.957 10.033 -8.171 1.00 0.00 H new ATOM 0 HA2 GLY A 0 13.315 9.601 -9.098 1.00 0.00 H new ATOM 0 HA3 GLY A 0 13.876 10.867 -8.024 1.00 0.00 H new ATOM 66 N MET A 1 13.963 12.685 -9.740 1.00 0.00 N ATOM 67 CA MET A 1 13.809 13.760 -10.714 1.00 0.00 C ATOM 68 C MET A 1 14.437 15.052 -10.201 1.00 0.00 C ATOM 69 O MET A 1 14.788 15.159 -9.027 1.00 0.00 O ATOM 70 CB MET A 1 12.329 13.986 -11.026 1.00 0.00 C ATOM 71 CG MET A 1 11.724 12.912 -11.916 1.00 0.00 C ATOM 72 SD MET A 1 10.380 13.537 -12.942 1.00 0.00 S ATOM 73 CE MET A 1 9.717 12.008 -13.599 1.00 0.00 C ATOM 0 H MET A 1 14.133 13.002 -8.786 1.00 0.00 H new ATOM 0 HA MET A 1 14.324 13.465 -11.628 1.00 0.00 H new ATOM 0 HB2 MET A 1 11.771 14.028 -10.090 1.00 0.00 H new ATOM 0 HB3 MET A 1 12.212 14.956 -11.510 1.00 0.00 H new ATOM 0 HG2 MET A 1 12.502 12.496 -12.556 1.00 0.00 H new ATOM 0 HG3 MET A 1 11.353 12.097 -11.295 1.00 0.00 H new ATOM 0 HE1 MET A 1 8.875 12.229 -14.256 1.00 0.00 H new ATOM 0 HE2 MET A 1 10.491 11.489 -14.164 1.00 0.00 H new ATOM 0 HE3 MET A 1 9.380 11.375 -12.778 1.00 0.00 H new ATOM 83 N MET A 2 14.574 16.031 -11.089 1.00 0.00 N ATOM 84 CA MET A 2 15.159 17.316 -10.725 1.00 0.00 C ATOM 85 C MET A 2 14.081 18.389 -10.605 1.00 0.00 C ATOM 86 O MET A 2 13.649 18.965 -11.605 1.00 0.00 O ATOM 87 CB MET A 2 16.202 17.739 -11.762 1.00 0.00 C ATOM 88 CG MET A 2 17.139 18.830 -11.271 1.00 0.00 C ATOM 89 SD MET A 2 17.813 19.823 -12.616 1.00 0.00 S ATOM 90 CE MET A 2 19.536 19.335 -12.566 1.00 0.00 C ATOM 0 H MET A 2 14.288 15.959 -12.065 1.00 0.00 H new ATOM 0 HA MET A 2 15.646 17.204 -9.756 1.00 0.00 H new ATOM 0 HB2 MET A 2 16.791 16.868 -12.049 1.00 0.00 H new ATOM 0 HB3 MET A 2 15.690 18.088 -12.659 1.00 0.00 H new ATOM 0 HG2 MET A 2 16.603 19.479 -10.578 1.00 0.00 H new ATOM 0 HG3 MET A 2 17.958 18.376 -10.714 1.00 0.00 H new ATOM 0 HE1 MET A 2 20.087 19.866 -13.342 1.00 0.00 H new ATOM 0 HE2 MET A 2 19.956 19.580 -11.590 1.00 0.00 H new ATOM 0 HE3 MET A 2 19.615 18.261 -12.735 1.00 0.00 H new ATOM 100 N LEU A 3 13.649 18.653 -9.377 1.00 0.00 N ATOM 101 CA LEU A 3 12.621 19.657 -9.126 1.00 0.00 C ATOM 102 C LEU A 3 13.032 20.585 -7.988 1.00 0.00 C ATOM 103 O LEU A 3 14.074 20.394 -7.363 1.00 0.00 O ATOM 104 CB LEU A 3 11.290 18.980 -8.793 1.00 0.00 C ATOM 105 CG LEU A 3 11.383 17.605 -8.131 1.00 0.00 C ATOM 106 CD1 LEU A 3 10.139 17.326 -7.302 1.00 0.00 C ATOM 107 CD2 LEU A 3 11.582 16.521 -9.180 1.00 0.00 C ATOM 0 H LEU A 3 13.995 18.186 -8.539 1.00 0.00 H new ATOM 0 HA LEU A 3 12.502 20.253 -10.031 1.00 0.00 H new ATOM 0 HB2 LEU A 3 10.724 19.640 -8.135 1.00 0.00 H new ATOM 0 HB3 LEU A 3 10.716 18.879 -9.714 1.00 0.00 H new ATOM 0 HG LEU A 3 12.246 17.601 -7.465 1.00 0.00 H new ATOM 0 HD11 LEU A 3 10.223 16.343 -6.839 1.00 0.00 H new ATOM 0 HD12 LEU A 3 10.041 18.086 -6.526 1.00 0.00 H new ATOM 0 HD13 LEU A 3 9.260 17.349 -7.946 1.00 0.00 H new ATOM 0 HD21 LEU A 3 11.646 15.549 -8.691 1.00 0.00 H new ATOM 0 HD22 LEU A 3 10.739 16.525 -9.871 1.00 0.00 H new ATOM 0 HD23 LEU A 3 12.503 16.712 -9.730 1.00 0.00 H new ATOM 119 N GLY A 4 12.203 21.590 -7.722 1.00 0.00 N ATOM 120 CA GLY A 4 12.497 22.532 -6.657 1.00 0.00 C ATOM 121 C GLY A 4 13.188 21.876 -5.478 1.00 0.00 C ATOM 122 O GLY A 4 14.321 22.209 -5.132 1.00 0.00 O ATOM 0 H GLY A 4 11.334 21.769 -8.225 1.00 0.00 H new ATOM 0 HA2 GLY A 4 13.129 23.330 -7.046 1.00 0.00 H new ATOM 0 HA3 GLY A 4 11.570 22.995 -6.319 1.00 0.00 H new ATOM 126 N PRO A 5 12.496 20.922 -4.838 1.00 0.00 N ATOM 127 CA PRO A 5 13.031 20.199 -3.680 1.00 0.00 C ATOM 128 C PRO A 5 14.169 19.258 -4.059 1.00 0.00 C ATOM 129 O PRO A 5 14.598 19.222 -5.211 1.00 0.00 O ATOM 130 CB PRO A 5 11.826 19.403 -3.171 1.00 0.00 C ATOM 131 CG PRO A 5 10.952 19.234 -4.366 1.00 0.00 C ATOM 132 CD PRO A 5 11.140 20.474 -5.195 1.00 0.00 C ATOM 0 HA PRO A 5 13.457 20.875 -2.939 1.00 0.00 H new ATOM 0 HB2 PRO A 5 12.131 18.439 -2.764 1.00 0.00 H new ATOM 0 HB3 PRO A 5 11.308 19.936 -2.374 1.00 0.00 H new ATOM 0 HG2 PRO A 5 11.229 18.343 -4.929 1.00 0.00 H new ATOM 0 HG3 PRO A 5 9.909 19.115 -4.073 1.00 0.00 H new ATOM 0 HD2 PRO A 5 11.055 20.261 -6.261 1.00 0.00 H new ATOM 0 HD3 PRO A 5 10.392 21.231 -4.960 1.00 0.00 H new ATOM 140 N GLU A 6 14.653 18.497 -3.081 1.00 0.00 N ATOM 141 CA GLU A 6 15.742 17.556 -3.314 1.00 0.00 C ATOM 142 C GLU A 6 15.200 16.172 -3.659 1.00 0.00 C ATOM 143 O GLU A 6 14.283 15.673 -3.009 1.00 0.00 O ATOM 144 CB GLU A 6 16.644 17.470 -2.081 1.00 0.00 C ATOM 145 CG GLU A 6 15.928 16.975 -0.836 1.00 0.00 C ATOM 146 CD GLU A 6 16.742 17.180 0.426 1.00 0.00 C ATOM 147 OE1 GLU A 6 16.842 18.337 0.886 1.00 0.00 O ATOM 148 OE2 GLU A 6 17.279 16.184 0.954 1.00 0.00 O ATOM 0 H GLU A 6 14.308 18.514 -2.121 1.00 0.00 H new ATOM 0 HA GLU A 6 16.328 17.919 -4.159 1.00 0.00 H new ATOM 0 HB2 GLU A 6 17.479 16.804 -2.298 1.00 0.00 H new ATOM 0 HB3 GLU A 6 17.065 18.455 -1.880 1.00 0.00 H new ATOM 0 HG2 GLU A 6 14.976 17.496 -0.738 1.00 0.00 H new ATOM 0 HG3 GLU A 6 15.701 15.915 -0.949 1.00 0.00 H new ATOM 155 N GLY A 7 15.776 15.557 -4.688 1.00 0.00 N ATOM 156 CA GLY A 7 15.338 14.237 -5.103 1.00 0.00 C ATOM 157 C GLY A 7 15.768 13.153 -4.135 1.00 0.00 C ATOM 158 O GLY A 7 16.727 12.427 -4.391 1.00 0.00 O ATOM 0 H GLY A 7 16.538 15.949 -5.241 1.00 0.00 H new ATOM 0 HA2 GLY A 7 14.252 14.230 -5.193 1.00 0.00 H new ATOM 0 HA3 GLY A 7 15.741 14.018 -6.092 1.00 0.00 H new ATOM 162 N GLY A 8 15.057 13.044 -3.016 1.00 0.00 N ATOM 163 CA GLY A 8 15.387 12.040 -2.022 1.00 0.00 C ATOM 164 C GLY A 8 14.407 10.884 -2.018 1.00 0.00 C ATOM 165 O GLY A 8 13.451 10.876 -1.243 1.00 0.00 O ATOM 0 H GLY A 8 14.258 13.633 -2.781 1.00 0.00 H new ATOM 0 HA2 GLY A 8 16.391 11.661 -2.213 1.00 0.00 H new ATOM 0 HA3 GLY A 8 15.403 12.502 -1.035 1.00 0.00 H new ATOM 169 N GLU A 9 14.643 9.906 -2.887 1.00 0.00 N ATOM 170 CA GLU A 9 13.770 8.741 -2.981 1.00 0.00 C ATOM 171 C GLU A 9 14.404 7.530 -2.302 1.00 0.00 C ATOM 172 O GLU A 9 15.528 7.600 -1.808 1.00 0.00 O ATOM 173 CB GLU A 9 13.470 8.419 -4.447 1.00 0.00 C ATOM 174 CG GLU A 9 14.714 8.268 -5.304 1.00 0.00 C ATOM 175 CD GLU A 9 15.540 7.054 -4.926 1.00 0.00 C ATOM 176 OE1 GLU A 9 15.083 5.921 -5.183 1.00 0.00 O ATOM 177 OE2 GLU A 9 16.644 7.238 -4.371 1.00 0.00 O ATOM 0 H GLU A 9 15.430 9.897 -3.535 1.00 0.00 H new ATOM 0 HA GLU A 9 12.837 8.975 -2.469 1.00 0.00 H new ATOM 0 HB2 GLU A 9 12.891 7.497 -4.496 1.00 0.00 H new ATOM 0 HB3 GLU A 9 12.846 9.210 -4.863 1.00 0.00 H new ATOM 0 HG2 GLU A 9 14.422 8.192 -6.351 1.00 0.00 H new ATOM 0 HG3 GLU A 9 15.327 9.164 -5.208 1.00 0.00 H new ATOM 184 N GLY A 10 13.672 6.420 -2.282 1.00 0.00 N ATOM 185 CA GLY A 10 14.177 5.210 -1.661 1.00 0.00 C ATOM 186 C GLY A 10 13.467 3.965 -2.155 1.00 0.00 C ATOM 187 O GLY A 10 12.392 4.050 -2.748 1.00 0.00 O ATOM 0 H GLY A 10 12.739 6.338 -2.685 1.00 0.00 H new ATOM 0 HA2 GLY A 10 15.244 5.120 -1.863 1.00 0.00 H new ATOM 0 HA3 GLY A 10 14.062 5.285 -0.580 1.00 0.00 H new ATOM 191 N TYR A 11 14.070 2.807 -1.911 1.00 0.00 N ATOM 192 CA TYR A 11 13.491 1.539 -2.339 1.00 0.00 C ATOM 193 C TYR A 11 12.061 1.393 -1.826 1.00 0.00 C ATOM 194 O TYR A 11 11.834 1.201 -0.631 1.00 0.00 O ATOM 195 CB TYR A 11 14.344 0.371 -1.843 1.00 0.00 C ATOM 196 CG TYR A 11 15.808 0.497 -2.199 1.00 0.00 C ATOM 197 CD1 TYR A 11 16.231 0.420 -3.520 1.00 0.00 C ATOM 198 CD2 TYR A 11 16.769 0.691 -1.214 1.00 0.00 C ATOM 199 CE1 TYR A 11 17.568 0.534 -3.850 1.00 0.00 C ATOM 200 CE2 TYR A 11 18.107 0.808 -1.535 1.00 0.00 C ATOM 201 CZ TYR A 11 18.502 0.728 -2.854 1.00 0.00 C ATOM 202 OH TYR A 11 19.835 0.843 -3.178 1.00 0.00 O ATOM 0 H TYR A 11 14.959 2.720 -1.419 1.00 0.00 H new ATOM 0 HA TYR A 11 13.470 1.528 -3.429 1.00 0.00 H new ATOM 0 HB2 TYR A 11 14.247 0.295 -0.760 1.00 0.00 H new ATOM 0 HB3 TYR A 11 13.955 -0.556 -2.263 1.00 0.00 H new ATOM 0 HD1 TYR A 11 15.502 0.268 -4.303 1.00 0.00 H new ATOM 0 HD2 TYR A 11 16.464 0.751 -0.180 1.00 0.00 H new ATOM 0 HE1 TYR A 11 17.880 0.472 -4.882 1.00 0.00 H new ATOM 0 HE2 TYR A 11 18.840 0.961 -0.757 1.00 0.00 H new ATOM 0 HH TYR A 11 20.360 0.977 -2.361 1.00 0.00 H new ATOM 212 N VAL A 12 11.099 1.484 -2.739 1.00 0.00 N ATOM 213 CA VAL A 12 9.691 1.360 -2.381 1.00 0.00 C ATOM 214 C VAL A 12 8.922 0.580 -3.441 1.00 0.00 C ATOM 215 O VAL A 12 9.324 0.528 -4.603 1.00 0.00 O ATOM 216 CB VAL A 12 9.035 2.742 -2.199 1.00 0.00 C ATOM 217 CG1 VAL A 12 7.556 2.592 -1.878 1.00 0.00 C ATOM 218 CG2 VAL A 12 9.748 3.530 -1.110 1.00 0.00 C ATOM 0 H VAL A 12 11.269 1.643 -3.732 1.00 0.00 H new ATOM 0 HA VAL A 12 9.650 0.819 -1.435 1.00 0.00 H new ATOM 0 HB VAL A 12 9.125 3.295 -3.134 1.00 0.00 H new ATOM 0 HG11 VAL A 12 7.109 3.578 -1.753 1.00 0.00 H new ATOM 0 HG12 VAL A 12 7.058 2.069 -2.694 1.00 0.00 H new ATOM 0 HG13 VAL A 12 7.440 2.021 -0.957 1.00 0.00 H new ATOM 0 HG21 VAL A 12 9.272 4.504 -0.994 1.00 0.00 H new ATOM 0 HG22 VAL A 12 9.690 2.984 -0.169 1.00 0.00 H new ATOM 0 HG23 VAL A 12 10.793 3.668 -1.386 1.00 0.00 H new ATOM 228 N VAL A 13 7.811 -0.025 -3.032 1.00 0.00 N ATOM 229 CA VAL A 13 6.983 -0.802 -3.947 1.00 0.00 C ATOM 230 C VAL A 13 5.500 -0.570 -3.677 1.00 0.00 C ATOM 231 O VAL A 13 5.080 -0.436 -2.527 1.00 0.00 O ATOM 232 CB VAL A 13 7.284 -2.308 -3.835 1.00 0.00 C ATOM 233 CG1 VAL A 13 8.679 -2.614 -4.358 1.00 0.00 C ATOM 234 CG2 VAL A 13 7.131 -2.777 -2.396 1.00 0.00 C ATOM 0 H VAL A 13 7.464 0.008 -2.073 1.00 0.00 H new ATOM 0 HA VAL A 13 7.223 -0.465 -4.955 1.00 0.00 H new ATOM 0 HB VAL A 13 6.565 -2.851 -4.448 1.00 0.00 H new ATOM 0 HG11 VAL A 13 8.874 -3.683 -4.271 1.00 0.00 H new ATOM 0 HG12 VAL A 13 8.749 -2.317 -5.404 1.00 0.00 H new ATOM 0 HG13 VAL A 13 9.416 -2.062 -3.774 1.00 0.00 H new ATOM 0 HG21 VAL A 13 7.348 -3.844 -2.336 1.00 0.00 H new ATOM 0 HG22 VAL A 13 7.826 -2.229 -1.759 1.00 0.00 H new ATOM 0 HG23 VAL A 13 6.110 -2.595 -2.060 1.00 0.00 H new ATOM 244 N LYS A 14 4.710 -0.525 -4.744 1.00 0.00 N ATOM 245 CA LYS A 14 3.273 -0.311 -4.625 1.00 0.00 C ATOM 246 C LYS A 14 2.507 -1.604 -4.885 1.00 0.00 C ATOM 247 O LYS A 14 2.705 -2.260 -5.908 1.00 0.00 O ATOM 248 CB LYS A 14 2.814 0.772 -5.604 1.00 0.00 C ATOM 249 CG LYS A 14 1.310 0.809 -5.809 1.00 0.00 C ATOM 250 CD LYS A 14 0.928 1.702 -6.978 1.00 0.00 C ATOM 251 CE LYS A 14 0.765 3.150 -6.543 1.00 0.00 C ATOM 252 NZ LYS A 14 0.362 4.027 -7.677 1.00 0.00 N ATOM 0 H LYS A 14 5.041 -0.634 -5.702 1.00 0.00 H new ATOM 0 HA LYS A 14 3.063 0.017 -3.607 1.00 0.00 H new ATOM 0 HB2 LYS A 14 3.146 1.744 -5.239 1.00 0.00 H new ATOM 0 HB3 LYS A 14 3.299 0.609 -6.566 1.00 0.00 H new ATOM 0 HG2 LYS A 14 0.941 -0.201 -5.986 1.00 0.00 H new ATOM 0 HG3 LYS A 14 0.827 1.170 -4.901 1.00 0.00 H new ATOM 0 HD2 LYS A 14 1.693 1.637 -7.752 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -0.003 1.347 -7.420 1.00 0.00 H new ATOM 0 HE2 LYS A 14 0.016 3.210 -5.753 1.00 0.00 H new ATOM 0 HE3 LYS A 14 1.703 3.510 -6.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 0.804 4.962 -7.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 0.673 3.601 -8.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -0.673 4.132 -7.684 1.00 0.00 H new ATOM 266 N LEU A 15 1.631 -1.965 -3.953 1.00 0.00 N ATOM 267 CA LEU A 15 0.834 -3.180 -4.083 1.00 0.00 C ATOM 268 C LEU A 15 -0.627 -2.844 -4.367 1.00 0.00 C ATOM 269 O LEU A 15 -1.232 -2.025 -3.676 1.00 0.00 O ATOM 270 CB LEU A 15 0.937 -4.020 -2.808 1.00 0.00 C ATOM 271 CG LEU A 15 2.344 -4.475 -2.418 1.00 0.00 C ATOM 272 CD1 LEU A 15 2.354 -5.016 -0.996 1.00 0.00 C ATOM 273 CD2 LEU A 15 2.855 -5.525 -3.394 1.00 0.00 C ATOM 0 H LEU A 15 1.455 -1.434 -3.100 1.00 0.00 H new ATOM 0 HA LEU A 15 1.226 -3.755 -4.922 1.00 0.00 H new ATOM 0 HB2 LEU A 15 0.521 -3.443 -1.982 1.00 0.00 H new ATOM 0 HB3 LEU A 15 0.311 -4.904 -2.927 1.00 0.00 H new ATOM 0 HG LEU A 15 3.010 -3.613 -2.462 1.00 0.00 H new ATOM 0 HD11 LEU A 15 3.363 -5.335 -0.735 1.00 0.00 H new ATOM 0 HD12 LEU A 15 2.031 -4.235 -0.307 1.00 0.00 H new ATOM 0 HD13 LEU A 15 1.675 -5.866 -0.925 1.00 0.00 H new ATOM 0 HD21 LEU A 15 3.857 -5.837 -3.101 1.00 0.00 H new ATOM 0 HD22 LEU A 15 2.189 -6.387 -3.382 1.00 0.00 H new ATOM 0 HD23 LEU A 15 2.886 -5.104 -4.399 1.00 0.00 H new ATOM 285 N ARG A 16 -1.188 -3.485 -5.387 1.00 0.00 N ATOM 286 CA ARG A 16 -2.578 -3.256 -5.762 1.00 0.00 C ATOM 287 C ARG A 16 -3.376 -4.556 -5.715 1.00 0.00 C ATOM 288 O ARG A 16 -2.811 -5.646 -5.799 1.00 0.00 O ATOM 289 CB ARG A 16 -2.657 -2.647 -7.163 1.00 0.00 C ATOM 290 CG ARG A 16 -3.882 -1.774 -7.380 1.00 0.00 C ATOM 291 CD ARG A 16 -3.804 -1.023 -8.700 1.00 0.00 C ATOM 292 NE ARG A 16 -2.882 0.108 -8.633 1.00 0.00 N ATOM 293 CZ ARG A 16 -2.624 0.907 -9.661 1.00 0.00 C ATOM 294 NH1 ARG A 16 -3.216 0.702 -10.830 1.00 0.00 N ATOM 295 NH2 ARG A 16 -1.773 1.916 -9.522 1.00 0.00 N ATOM 0 H ARG A 16 -0.701 -4.167 -5.969 1.00 0.00 H new ATOM 0 HA ARG A 16 -3.011 -2.558 -5.045 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -1.761 -2.052 -7.342 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -2.659 -3.450 -7.900 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -4.779 -2.393 -7.365 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -3.973 -1.062 -6.560 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -3.484 -1.706 -9.487 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -4.797 -0.666 -8.973 1.00 0.00 H new ATOM 0 HE ARG A 16 -2.411 0.294 -7.748 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -3.872 -0.071 -10.941 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -3.016 1.318 -11.618 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -1.316 2.078 -8.624 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -1.576 2.529 -10.313 1.00 0.00 H new ATOM 309 N GLY A 17 -4.693 -4.432 -5.579 1.00 0.00 N ATOM 310 CA GLY A 17 -5.546 -5.604 -5.522 1.00 0.00 C ATOM 311 C GLY A 17 -5.635 -6.190 -4.127 1.00 0.00 C ATOM 312 O GLY A 17 -6.141 -7.297 -3.941 1.00 0.00 O ATOM 0 H GLY A 17 -5.184 -3.541 -5.507 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -6.546 -5.339 -5.866 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -5.164 -6.361 -6.207 1.00 0.00 H new ATOM 316 N LEU A 18 -5.143 -5.446 -3.143 1.00 0.00 N ATOM 317 CA LEU A 18 -5.167 -5.898 -1.756 1.00 0.00 C ATOM 318 C LEU A 18 -6.591 -5.901 -1.210 1.00 0.00 C ATOM 319 O LEU A 18 -7.436 -5.098 -1.606 1.00 0.00 O ATOM 320 CB LEU A 18 -4.279 -5.002 -0.891 1.00 0.00 C ATOM 321 CG LEU A 18 -2.786 -5.018 -1.221 1.00 0.00 C ATOM 322 CD1 LEU A 18 -2.104 -3.777 -0.667 1.00 0.00 C ATOM 323 CD2 LEU A 18 -2.132 -6.278 -0.673 1.00 0.00 C ATOM 0 H LEU A 18 -4.722 -4.527 -3.280 1.00 0.00 H new ATOM 0 HA LEU A 18 -4.783 -6.918 -1.725 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -4.639 -3.977 -0.977 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -4.404 -5.298 0.151 1.00 0.00 H new ATOM 0 HG LEU A 18 -2.673 -5.016 -2.305 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -1.042 -3.806 -0.911 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -2.554 -2.887 -1.108 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -2.226 -3.747 0.416 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -1.070 -6.272 -0.917 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -2.255 -6.311 0.410 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -2.602 -7.155 -1.118 1.00 0.00 H new ATOM 335 N PRO A 19 -6.865 -6.825 -0.276 1.00 0.00 N ATOM 336 CA PRO A 19 -8.186 -6.953 0.347 1.00 0.00 C ATOM 337 C PRO A 19 -8.508 -5.783 1.270 1.00 0.00 C ATOM 338 O PRO A 19 -7.630 -5.265 1.961 1.00 0.00 O ATOM 339 CB PRO A 19 -8.075 -8.252 1.149 1.00 0.00 C ATOM 340 CG PRO A 19 -6.619 -8.400 1.431 1.00 0.00 C ATOM 341 CD PRO A 19 -5.906 -7.814 0.243 1.00 0.00 C ATOM 0 HA PRO A 19 -8.987 -6.959 -0.393 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -8.653 -8.198 2.071 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -8.457 -9.101 0.582 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -6.344 -7.878 2.348 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -6.353 -9.448 1.568 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -4.963 -7.348 0.530 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -5.672 -8.575 -0.501 1.00 0.00 H new ATOM 349 N TRP A 20 -9.770 -5.371 1.277 1.00 0.00 N ATOM 350 CA TRP A 20 -10.207 -4.261 2.116 1.00 0.00 C ATOM 351 C TRP A 20 -9.848 -4.509 3.577 1.00 0.00 C ATOM 352 O TRP A 20 -9.894 -3.596 4.401 1.00 0.00 O ATOM 353 CB TRP A 20 -11.716 -4.053 1.977 1.00 0.00 C ATOM 354 CG TRP A 20 -12.099 -3.284 0.749 1.00 0.00 C ATOM 355 CD1 TRP A 20 -11.412 -3.227 -0.429 1.00 0.00 C ATOM 356 CD2 TRP A 20 -13.259 -2.461 0.581 1.00 0.00 C ATOM 357 NE1 TRP A 20 -12.075 -2.418 -1.321 1.00 0.00 N ATOM 358 CE2 TRP A 20 -13.211 -1.937 -0.726 1.00 0.00 C ATOM 359 CE3 TRP A 20 -14.334 -2.118 1.405 1.00 0.00 C ATOM 360 CZ2 TRP A 20 -14.196 -1.088 -1.224 1.00 0.00 C ATOM 361 CZ3 TRP A 20 -15.311 -1.276 0.910 1.00 0.00 C ATOM 362 CH2 TRP A 20 -15.237 -0.769 -0.395 1.00 0.00 C ATOM 0 H TRP A 20 -10.509 -5.789 0.711 1.00 0.00 H new ATOM 0 HA TRP A 20 -9.691 -3.361 1.782 1.00 0.00 H new ATOM 0 HB2 TRP A 20 -12.209 -5.025 1.957 1.00 0.00 H new ATOM 0 HB3 TRP A 20 -12.085 -3.526 2.857 1.00 0.00 H new ATOM 0 HD1 TRP A 20 -10.484 -3.742 -0.631 1.00 0.00 H new ATOM 0 HE1 TRP A 20 -11.770 -2.210 -2.272 1.00 0.00 H new ATOM 0 HE3 TRP A 20 -14.400 -2.504 2.411 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 -14.140 -0.695 -2.229 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 -16.146 -1.004 1.539 1.00 0.00 H new ATOM 0 HH2 TRP A 20 -16.017 -0.114 -0.753 1.00 0.00 H new ATOM 373 N SER A 21 -9.489 -5.750 3.891 1.00 0.00 N ATOM 374 CA SER A 21 -9.126 -6.118 5.255 1.00 0.00 C ATOM 375 C SER A 21 -7.649 -6.493 5.340 1.00 0.00 C ATOM 376 O SER A 21 -7.236 -7.229 6.238 1.00 0.00 O ATOM 377 CB SER A 21 -9.989 -7.285 5.738 1.00 0.00 C ATOM 378 OG SER A 21 -11.283 -6.842 6.108 1.00 0.00 O ATOM 0 H SER A 21 -9.442 -6.517 3.220 1.00 0.00 H new ATOM 0 HA SER A 21 -9.302 -5.256 5.898 1.00 0.00 H new ATOM 0 HB2 SER A 21 -10.069 -8.033 4.950 1.00 0.00 H new ATOM 0 HB3 SER A 21 -9.509 -7.769 6.589 1.00 0.00 H new ATOM 0 HG SER A 21 -11.816 -7.606 6.411 1.00 0.00 H new ATOM 384 N CYS A 22 -6.861 -5.984 4.401 1.00 0.00 N ATOM 385 CA CYS A 22 -5.430 -6.266 4.368 1.00 0.00 C ATOM 386 C CYS A 22 -4.724 -5.633 5.563 1.00 0.00 C ATOM 387 O CYS A 22 -4.936 -4.460 5.872 1.00 0.00 O ATOM 388 CB CYS A 22 -4.817 -5.750 3.066 1.00 0.00 C ATOM 389 SG CYS A 22 -3.114 -6.290 2.786 1.00 0.00 S ATOM 0 H CYS A 22 -7.188 -5.374 3.652 1.00 0.00 H new ATOM 0 HA CYS A 22 -5.296 -7.346 4.420 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -5.434 -6.081 2.230 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -4.845 -4.660 3.071 1.00 0.00 H new ATOM 0 HG CYS A 22 -3.117 -7.434 2.169 1.00 0.00 H new ATOM 395 N SER A 23 -3.884 -6.417 6.232 1.00 0.00 N ATOM 396 CA SER A 23 -3.151 -5.935 7.396 1.00 0.00 C ATOM 397 C SER A 23 -1.646 -5.984 7.149 1.00 0.00 C ATOM 398 O SER A 23 -1.160 -6.812 6.378 1.00 0.00 O ATOM 399 CB SER A 23 -3.505 -6.768 8.629 1.00 0.00 C ATOM 400 OG SER A 23 -4.687 -6.289 9.247 1.00 0.00 O ATOM 0 H SER A 23 -3.695 -7.389 5.987 1.00 0.00 H new ATOM 0 HA SER A 23 -3.439 -4.899 7.572 1.00 0.00 H new ATOM 0 HB2 SER A 23 -3.639 -7.811 8.341 1.00 0.00 H new ATOM 0 HB3 SER A 23 -2.681 -6.737 9.341 1.00 0.00 H new ATOM 0 HG SER A 23 -4.892 -6.840 10.031 1.00 0.00 H new ATOM 406 N ILE A 24 -0.915 -5.093 7.809 1.00 0.00 N ATOM 407 CA ILE A 24 0.534 -5.035 7.662 1.00 0.00 C ATOM 408 C ILE A 24 1.137 -6.434 7.608 1.00 0.00 C ATOM 409 O ILE A 24 2.032 -6.704 6.808 1.00 0.00 O ATOM 410 CB ILE A 24 1.186 -4.252 8.817 1.00 0.00 C ATOM 411 CG1 ILE A 24 0.730 -2.791 8.793 1.00 0.00 C ATOM 412 CG2 ILE A 24 2.702 -4.340 8.728 1.00 0.00 C ATOM 413 CD1 ILE A 24 1.085 -2.027 10.049 1.00 0.00 C ATOM 0 H ILE A 24 -1.302 -4.401 8.451 1.00 0.00 H new ATOM 0 HA ILE A 24 0.736 -4.518 6.724 1.00 0.00 H new ATOM 0 HB ILE A 24 0.871 -4.697 9.761 1.00 0.00 H new ATOM 0 HG12 ILE A 24 1.180 -2.292 7.935 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -0.350 -2.758 8.650 1.00 0.00 H new ATOM 0 HG21 ILE A 24 3.148 -3.782 9.551 1.00 0.00 H new ATOM 0 HG22 ILE A 24 3.010 -5.384 8.789 1.00 0.00 H new ATOM 0 HG23 ILE A 24 3.036 -3.918 7.780 1.00 0.00 H new ATOM 0 HD11 ILE A 24 0.732 -1.000 9.962 1.00 0.00 H new ATOM 0 HD12 ILE A 24 0.613 -2.502 10.909 1.00 0.00 H new ATOM 0 HD13 ILE A 24 2.167 -2.028 10.182 1.00 0.00 H new ATOM 425 N GLU A 25 0.639 -7.321 8.463 1.00 0.00 N ATOM 426 CA GLU A 25 1.129 -8.694 8.511 1.00 0.00 C ATOM 427 C GLU A 25 1.071 -9.341 7.130 1.00 0.00 C ATOM 428 O GLU A 25 2.063 -9.887 6.648 1.00 0.00 O ATOM 429 CB GLU A 25 0.309 -9.517 9.507 1.00 0.00 C ATOM 430 CG GLU A 25 0.766 -9.362 10.947 1.00 0.00 C ATOM 431 CD GLU A 25 -0.302 -9.767 11.945 1.00 0.00 C ATOM 432 OE1 GLU A 25 -1.354 -9.095 11.993 1.00 0.00 O ATOM 433 OE2 GLU A 25 -0.086 -10.755 12.678 1.00 0.00 O ATOM 0 H GLU A 25 -0.103 -7.114 9.132 1.00 0.00 H new ATOM 0 HA GLU A 25 2.168 -8.671 8.839 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -0.738 -9.223 9.433 1.00 0.00 H new ATOM 0 HB3 GLU A 25 0.365 -10.569 9.228 1.00 0.00 H new ATOM 0 HG2 GLU A 25 1.657 -9.968 11.109 1.00 0.00 H new ATOM 0 HG3 GLU A 25 1.049 -8.325 11.125 1.00 0.00 H new ATOM 440 N ASP A 26 -0.097 -9.275 6.501 1.00 0.00 N ATOM 441 CA ASP A 26 -0.285 -9.853 5.176 1.00 0.00 C ATOM 442 C ASP A 26 0.750 -9.310 4.194 1.00 0.00 C ATOM 443 O ASP A 26 1.236 -10.034 3.325 1.00 0.00 O ATOM 444 CB ASP A 26 -1.695 -9.559 4.663 1.00 0.00 C ATOM 445 CG ASP A 26 -2.699 -10.609 5.098 1.00 0.00 C ATOM 446 OD1 ASP A 26 -2.301 -11.781 5.255 1.00 0.00 O ATOM 447 OD2 ASP A 26 -3.884 -10.257 5.280 1.00 0.00 O ATOM 0 H ASP A 26 -0.928 -8.827 6.887 1.00 0.00 H new ATOM 0 HA ASP A 26 -0.153 -10.932 5.256 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -2.015 -8.582 5.026 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -1.679 -9.505 3.574 1.00 0.00 H new ATOM 452 N VAL A 27 1.081 -8.031 4.339 1.00 0.00 N ATOM 453 CA VAL A 27 2.058 -7.391 3.466 1.00 0.00 C ATOM 454 C VAL A 27 3.467 -7.898 3.752 1.00 0.00 C ATOM 455 O VAL A 27 4.178 -8.327 2.844 1.00 0.00 O ATOM 456 CB VAL A 27 2.033 -5.859 3.624 1.00 0.00 C ATOM 457 CG1 VAL A 27 2.985 -5.204 2.635 1.00 0.00 C ATOM 458 CG2 VAL A 27 0.619 -5.328 3.447 1.00 0.00 C ATOM 0 H VAL A 27 0.687 -7.418 5.053 1.00 0.00 H new ATOM 0 HA VAL A 27 1.784 -7.648 2.443 1.00 0.00 H new ATOM 0 HB VAL A 27 2.366 -5.610 4.631 1.00 0.00 H new ATOM 0 HG11 VAL A 27 2.953 -4.122 2.762 1.00 0.00 H new ATOM 0 HG12 VAL A 27 3.999 -5.561 2.815 1.00 0.00 H new ATOM 0 HG13 VAL A 27 2.686 -5.459 1.618 1.00 0.00 H new ATOM 0 HG21 VAL A 27 0.620 -4.244 3.562 1.00 0.00 H new ATOM 0 HG22 VAL A 27 0.255 -5.587 2.453 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -0.033 -5.772 4.199 1.00 0.00 H new ATOM 468 N GLN A 28 3.863 -7.846 5.019 1.00 0.00 N ATOM 469 CA GLN A 28 5.187 -8.300 5.425 1.00 0.00 C ATOM 470 C GLN A 28 5.449 -9.720 4.935 1.00 0.00 C ATOM 471 O GLN A 28 6.483 -9.997 4.328 1.00 0.00 O ATOM 472 CB GLN A 28 5.327 -8.239 6.947 1.00 0.00 C ATOM 473 CG GLN A 28 5.358 -6.823 7.498 1.00 0.00 C ATOM 474 CD GLN A 28 5.457 -6.788 9.011 1.00 0.00 C ATOM 475 OE1 GLN A 28 4.468 -6.996 9.714 1.00 0.00 O ATOM 476 NE2 GLN A 28 6.654 -6.524 9.520 1.00 0.00 N ATOM 0 H GLN A 28 3.286 -7.494 5.782 1.00 0.00 H new ATOM 0 HA GLN A 28 5.925 -7.637 4.973 1.00 0.00 H new ATOM 0 HB2 GLN A 28 4.497 -8.779 7.402 1.00 0.00 H new ATOM 0 HB3 GLN A 28 6.241 -8.754 7.241 1.00 0.00 H new ATOM 0 HG2 GLN A 28 6.206 -6.289 7.070 1.00 0.00 H new ATOM 0 HG3 GLN A 28 4.457 -6.295 7.184 1.00 0.00 H new ATOM 0 HE21 GLN A 28 7.447 -6.358 8.900 1.00 0.00 H new ATOM 0 HE22 GLN A 28 6.781 -6.487 10.531 1.00 0.00 H new ATOM 485 N ASN A 29 4.506 -10.617 5.203 1.00 0.00 N ATOM 486 CA ASN A 29 4.635 -12.010 4.790 1.00 0.00 C ATOM 487 C ASN A 29 4.636 -12.128 3.269 1.00 0.00 C ATOM 488 O ASN A 29 5.387 -12.919 2.698 1.00 0.00 O ATOM 489 CB ASN A 29 3.496 -12.846 5.378 1.00 0.00 C ATOM 490 CG ASN A 29 3.728 -13.195 6.835 1.00 0.00 C ATOM 491 OD1 ASN A 29 4.389 -14.185 7.151 1.00 0.00 O ATOM 492 ND2 ASN A 29 3.183 -12.381 7.732 1.00 0.00 N ATOM 0 H ASN A 29 3.644 -10.404 5.705 1.00 0.00 H new ATOM 0 HA ASN A 29 5.585 -12.388 5.166 1.00 0.00 H new ATOM 0 HB2 ASN A 29 2.559 -12.297 5.283 1.00 0.00 H new ATOM 0 HB3 ASN A 29 3.387 -13.764 4.800 1.00 0.00 H new ATOM 0 HD21 ASN A 29 3.305 -12.565 8.728 1.00 0.00 H new ATOM 0 HD22 ASN A 29 2.643 -11.572 7.425 1.00 0.00 H new ATOM 499 N PHE A 30 3.789 -11.337 2.619 1.00 0.00 N ATOM 500 CA PHE A 30 3.691 -11.353 1.164 1.00 0.00 C ATOM 501 C PHE A 30 5.042 -11.046 0.525 1.00 0.00 C ATOM 502 O PHE A 30 5.499 -11.764 -0.365 1.00 0.00 O ATOM 503 CB PHE A 30 2.648 -10.338 0.691 1.00 0.00 C ATOM 504 CG PHE A 30 2.502 -10.281 -0.803 1.00 0.00 C ATOM 505 CD1 PHE A 30 3.445 -9.626 -1.579 1.00 0.00 C ATOM 506 CD2 PHE A 30 1.424 -10.883 -1.430 1.00 0.00 C ATOM 507 CE1 PHE A 30 3.312 -9.571 -2.954 1.00 0.00 C ATOM 508 CE2 PHE A 30 1.287 -10.832 -2.805 1.00 0.00 C ATOM 509 CZ PHE A 30 2.233 -10.176 -3.567 1.00 0.00 C ATOM 0 H PHE A 30 3.160 -10.677 3.077 1.00 0.00 H new ATOM 0 HA PHE A 30 3.382 -12.352 0.856 1.00 0.00 H new ATOM 0 HB2 PHE A 30 1.683 -10.587 1.133 1.00 0.00 H new ATOM 0 HB3 PHE A 30 2.922 -9.349 1.059 1.00 0.00 H new ATOM 0 HD1 PHE A 30 4.293 -9.154 -1.105 1.00 0.00 H new ATOM 0 HD2 PHE A 30 0.682 -11.398 -0.838 1.00 0.00 H new ATOM 0 HE1 PHE A 30 4.052 -9.055 -3.548 1.00 0.00 H new ATOM 0 HE2 PHE A 30 0.441 -11.305 -3.282 1.00 0.00 H new ATOM 0 HZ PHE A 30 2.129 -10.136 -4.641 1.00 0.00 H new ATOM 519 N LEU A 31 5.678 -9.973 0.985 1.00 0.00 N ATOM 520 CA LEU A 31 6.977 -9.569 0.458 1.00 0.00 C ATOM 521 C LEU A 31 8.109 -10.150 1.299 1.00 0.00 C ATOM 522 O LEU A 31 9.121 -9.489 1.537 1.00 0.00 O ATOM 523 CB LEU A 31 7.083 -8.044 0.423 1.00 0.00 C ATOM 524 CG LEU A 31 6.239 -7.337 -0.638 1.00 0.00 C ATOM 525 CD1 LEU A 31 6.493 -5.838 -0.611 1.00 0.00 C ATOM 526 CD2 LEU A 31 6.534 -7.904 -2.019 1.00 0.00 C ATOM 0 H LEU A 31 5.315 -9.368 1.721 1.00 0.00 H new ATOM 0 HA LEU A 31 7.067 -9.956 -0.557 1.00 0.00 H new ATOM 0 HB2 LEU A 31 6.799 -7.657 1.402 1.00 0.00 H new ATOM 0 HB3 LEU A 31 8.128 -7.776 0.266 1.00 0.00 H new ATOM 0 HG LEU A 31 5.187 -7.511 -0.412 1.00 0.00 H new ATOM 0 HD11 LEU A 31 5.884 -5.352 -1.373 1.00 0.00 H new ATOM 0 HD12 LEU A 31 6.231 -5.442 0.370 1.00 0.00 H new ATOM 0 HD13 LEU A 31 7.547 -5.644 -0.811 1.00 0.00 H new ATOM 0 HD21 LEU A 31 5.924 -7.389 -2.762 1.00 0.00 H new ATOM 0 HD22 LEU A 31 7.589 -7.761 -2.253 1.00 0.00 H new ATOM 0 HD23 LEU A 31 6.300 -8.969 -2.033 1.00 0.00 H new ATOM 538 N SER A 32 7.933 -11.389 1.745 1.00 0.00 N ATOM 539 CA SER A 32 8.940 -12.059 2.561 1.00 0.00 C ATOM 540 C SER A 32 10.311 -11.992 1.894 1.00 0.00 C ATOM 541 O SER A 32 11.284 -11.538 2.496 1.00 0.00 O ATOM 542 CB SER A 32 8.546 -13.518 2.799 1.00 0.00 C ATOM 543 OG SER A 32 9.392 -14.124 3.761 1.00 0.00 O ATOM 0 H SER A 32 7.103 -11.950 1.555 1.00 0.00 H new ATOM 0 HA SER A 32 8.996 -11.545 3.520 1.00 0.00 H new ATOM 0 HB2 SER A 32 7.511 -13.568 3.137 1.00 0.00 H new ATOM 0 HB3 SER A 32 8.602 -14.071 1.861 1.00 0.00 H new ATOM 0 HG SER A 32 9.119 -15.055 3.897 1.00 0.00 H new ATOM 549 N ASP A 33 10.379 -12.449 0.649 1.00 0.00 N ATOM 550 CA ASP A 33 11.629 -12.441 -0.102 1.00 0.00 C ATOM 551 C ASP A 33 12.300 -11.073 -0.026 1.00 0.00 C ATOM 552 O ASP A 33 13.504 -10.948 -0.254 1.00 0.00 O ATOM 553 CB ASP A 33 11.375 -12.819 -1.562 1.00 0.00 C ATOM 554 CG ASP A 33 10.598 -14.113 -1.698 1.00 0.00 C ATOM 555 OD1 ASP A 33 10.902 -15.069 -0.954 1.00 0.00 O ATOM 556 OD2 ASP A 33 9.687 -14.172 -2.550 1.00 0.00 O ATOM 0 H ASP A 33 9.583 -12.830 0.138 1.00 0.00 H new ATOM 0 HA ASP A 33 12.297 -13.178 0.344 1.00 0.00 H new ATOM 0 HB2 ASP A 33 10.825 -12.015 -2.052 1.00 0.00 H new ATOM 0 HB3 ASP A 33 12.329 -12.915 -2.081 1.00 0.00 H new ATOM 561 N CYS A 34 11.513 -10.052 0.293 1.00 0.00 N ATOM 562 CA CYS A 34 12.030 -8.692 0.396 1.00 0.00 C ATOM 563 C CYS A 34 12.278 -8.313 1.853 1.00 0.00 C ATOM 564 O CYS A 34 11.681 -8.886 2.765 1.00 0.00 O ATOM 565 CB CYS A 34 11.053 -7.702 -0.241 1.00 0.00 C ATOM 566 SG CYS A 34 10.716 -8.020 -1.988 1.00 0.00 S ATOM 0 H CYS A 34 10.515 -10.140 0.485 1.00 0.00 H new ATOM 0 HA CYS A 34 12.979 -8.650 -0.139 1.00 0.00 H new ATOM 0 HB2 CYS A 34 10.113 -7.730 0.310 1.00 0.00 H new ATOM 0 HB3 CYS A 34 11.454 -6.694 -0.137 1.00 0.00 H new ATOM 0 HG CYS A 34 11.491 -7.277 -2.722 1.00 0.00 H new ATOM 572 N THR A 35 13.165 -7.346 2.065 1.00 0.00 N ATOM 573 CA THR A 35 13.494 -6.893 3.411 1.00 0.00 C ATOM 574 C THR A 35 12.918 -5.508 3.681 1.00 0.00 C ATOM 575 O THR A 35 13.639 -4.510 3.657 1.00 0.00 O ATOM 576 CB THR A 35 15.018 -6.854 3.633 1.00 0.00 C ATOM 577 OG1 THR A 35 15.575 -8.158 3.433 1.00 0.00 O ATOM 578 CG2 THR A 35 15.348 -6.367 5.036 1.00 0.00 C ATOM 0 H THR A 35 13.668 -6.861 1.322 1.00 0.00 H new ATOM 0 HA THR A 35 13.051 -7.609 4.103 1.00 0.00 H new ATOM 0 HB THR A 35 15.450 -6.159 2.913 1.00 0.00 H new ATOM 0 HG1 THR A 35 16.544 -8.125 3.574 1.00 0.00 H new ATOM 0 HG21 THR A 35 16.430 -6.348 5.169 1.00 0.00 H new ATOM 0 HG22 THR A 35 14.947 -5.363 5.176 1.00 0.00 H new ATOM 0 HG23 THR A 35 14.904 -7.041 5.769 1.00 0.00 H new ATOM 586 N ILE A 36 11.616 -5.454 3.939 1.00 0.00 N ATOM 587 CA ILE A 36 10.943 -4.191 4.216 1.00 0.00 C ATOM 588 C ILE A 36 11.694 -3.389 5.274 1.00 0.00 C ATOM 589 O ILE A 36 12.046 -3.912 6.332 1.00 0.00 O ATOM 590 CB ILE A 36 9.496 -4.415 4.691 1.00 0.00 C ATOM 591 CG1 ILE A 36 8.692 -5.151 3.616 1.00 0.00 C ATOM 592 CG2 ILE A 36 8.839 -3.087 5.034 1.00 0.00 C ATOM 593 CD1 ILE A 36 7.423 -5.785 4.139 1.00 0.00 C ATOM 0 H ILE A 36 11.006 -6.271 3.962 1.00 0.00 H new ATOM 0 HA ILE A 36 10.927 -3.631 3.281 1.00 0.00 H new ATOM 0 HB ILE A 36 9.516 -5.031 5.590 1.00 0.00 H new ATOM 0 HG12 ILE A 36 8.437 -4.450 2.821 1.00 0.00 H new ATOM 0 HG13 ILE A 36 9.318 -5.924 3.171 1.00 0.00 H new ATOM 0 HG21 ILE A 36 7.816 -3.263 5.368 1.00 0.00 H new ATOM 0 HG22 ILE A 36 9.402 -2.597 5.829 1.00 0.00 H new ATOM 0 HG23 ILE A 36 8.828 -2.448 4.151 1.00 0.00 H new ATOM 0 HD11 ILE A 36 6.905 -6.289 3.323 1.00 0.00 H new ATOM 0 HD12 ILE A 36 7.671 -6.510 4.914 1.00 0.00 H new ATOM 0 HD13 ILE A 36 6.777 -5.014 4.558 1.00 0.00 H new ATOM 605 N HIS A 37 11.936 -2.115 4.982 1.00 0.00 N ATOM 606 CA HIS A 37 12.644 -1.239 5.909 1.00 0.00 C ATOM 607 C HIS A 37 11.760 -0.881 7.100 1.00 0.00 C ATOM 608 O HIS A 37 10.656 -0.361 6.932 1.00 0.00 O ATOM 609 CB HIS A 37 13.097 0.035 5.195 1.00 0.00 C ATOM 610 CG HIS A 37 13.390 1.171 6.126 1.00 0.00 C ATOM 611 ND1 HIS A 37 14.649 1.433 6.622 1.00 0.00 N ATOM 612 CD2 HIS A 37 12.577 2.119 6.649 1.00 0.00 C ATOM 613 CE1 HIS A 37 14.598 2.491 7.412 1.00 0.00 C ATOM 614 NE2 HIS A 37 13.352 2.926 7.444 1.00 0.00 N ATOM 0 H HIS A 37 11.652 -1.666 4.111 1.00 0.00 H new ATOM 0 HA HIS A 37 13.521 -1.772 6.276 1.00 0.00 H new ATOM 0 HB2 HIS A 37 13.990 -0.184 4.610 1.00 0.00 H new ATOM 0 HB3 HIS A 37 12.323 0.343 4.492 1.00 0.00 H new ATOM 0 HD2 HIS A 37 11.516 2.221 6.473 1.00 0.00 H new ATOM 0 HE1 HIS A 37 15.433 2.926 7.941 1.00 0.00 H new ATOM 0 HE2 HIS A 37 13.019 3.732 7.974 1.00 0.00 H new ATOM 623 N ASP A 38 12.251 -1.163 8.301 1.00 0.00 N ATOM 624 CA ASP A 38 11.506 -0.871 9.520 1.00 0.00 C ATOM 625 C ASP A 38 10.248 -1.729 9.607 1.00 0.00 C ATOM 626 O ASP A 38 9.275 -1.357 10.262 1.00 0.00 O ATOM 627 CB ASP A 38 11.132 0.611 9.572 1.00 0.00 C ATOM 628 CG ASP A 38 12.341 1.518 9.444 1.00 0.00 C ATOM 629 OD1 ASP A 38 13.437 1.006 9.133 1.00 0.00 O ATOM 630 OD2 ASP A 38 12.190 2.739 9.655 1.00 0.00 O ATOM 0 H ASP A 38 13.162 -1.594 8.457 1.00 0.00 H new ATOM 0 HA ASP A 38 12.144 -1.107 10.372 1.00 0.00 H new ATOM 0 HB2 ASP A 38 10.428 0.833 8.770 1.00 0.00 H new ATOM 0 HB3 ASP A 38 10.622 0.821 10.512 1.00 0.00 H new ATOM 635 N GLY A 39 10.275 -2.880 8.941 1.00 0.00 N ATOM 636 CA GLY A 39 9.131 -3.772 8.955 1.00 0.00 C ATOM 637 C GLY A 39 7.813 -3.024 8.999 1.00 0.00 C ATOM 638 O GLY A 39 7.572 -2.127 8.191 1.00 0.00 O ATOM 0 H GLY A 39 11.069 -3.210 8.392 1.00 0.00 H new ATOM 0 HA2 GLY A 39 9.157 -4.405 8.068 1.00 0.00 H new ATOM 0 HA3 GLY A 39 9.200 -4.432 9.820 1.00 0.00 H new ATOM 642 N VAL A 40 6.956 -3.394 9.945 1.00 0.00 N ATOM 643 CA VAL A 40 5.655 -2.752 10.092 1.00 0.00 C ATOM 644 C VAL A 40 5.769 -1.239 9.948 1.00 0.00 C ATOM 645 O VAL A 40 4.860 -0.583 9.441 1.00 0.00 O ATOM 646 CB VAL A 40 5.017 -3.081 11.455 1.00 0.00 C ATOM 647 CG1 VAL A 40 4.790 -4.578 11.591 1.00 0.00 C ATOM 648 CG2 VAL A 40 5.886 -2.559 12.589 1.00 0.00 C ATOM 0 H VAL A 40 7.139 -4.135 10.621 1.00 0.00 H new ATOM 0 HA VAL A 40 5.018 -3.142 9.298 1.00 0.00 H new ATOM 0 HB VAL A 40 4.048 -2.585 11.513 1.00 0.00 H new ATOM 0 HG11 VAL A 40 4.339 -4.791 12.560 1.00 0.00 H new ATOM 0 HG12 VAL A 40 4.124 -4.919 10.798 1.00 0.00 H new ATOM 0 HG13 VAL A 40 5.744 -5.099 11.513 1.00 0.00 H new ATOM 0 HG21 VAL A 40 5.420 -2.800 13.545 1.00 0.00 H new ATOM 0 HG22 VAL A 40 6.870 -3.025 12.537 1.00 0.00 H new ATOM 0 HG23 VAL A 40 5.991 -1.478 12.499 1.00 0.00 H new ATOM 658 N ALA A 41 6.893 -0.690 10.397 1.00 0.00 N ATOM 659 CA ALA A 41 7.128 0.746 10.316 1.00 0.00 C ATOM 660 C ALA A 41 7.623 1.144 8.930 1.00 0.00 C ATOM 661 O ALA A 41 8.303 2.157 8.770 1.00 0.00 O ATOM 662 CB ALA A 41 8.127 1.178 11.380 1.00 0.00 C ATOM 0 H ALA A 41 7.655 -1.219 10.821 1.00 0.00 H new ATOM 0 HA ALA A 41 6.181 1.255 10.494 1.00 0.00 H new ATOM 0 HB1 ALA A 41 8.293 2.253 11.308 1.00 0.00 H new ATOM 0 HB2 ALA A 41 7.734 0.937 12.368 1.00 0.00 H new ATOM 0 HB3 ALA A 41 9.070 0.654 11.227 1.00 0.00 H new ATOM 668 N GLY A 42 7.278 0.339 7.929 1.00 0.00 N ATOM 669 CA GLY A 42 7.697 0.624 6.570 1.00 0.00 C ATOM 670 C GLY A 42 6.559 0.503 5.575 1.00 0.00 C ATOM 671 O GLY A 42 6.610 1.081 4.489 1.00 0.00 O ATOM 0 H GLY A 42 6.716 -0.505 8.036 1.00 0.00 H new ATOM 0 HA2 GLY A 42 8.110 1.632 6.524 1.00 0.00 H new ATOM 0 HA3 GLY A 42 8.496 -0.061 6.288 1.00 0.00 H new ATOM 675 N VAL A 43 5.530 -0.252 5.945 1.00 0.00 N ATOM 676 CA VAL A 43 4.375 -0.448 5.077 1.00 0.00 C ATOM 677 C VAL A 43 3.392 0.711 5.200 1.00 0.00 C ATOM 678 O VAL A 43 3.002 1.094 6.304 1.00 0.00 O ATOM 679 CB VAL A 43 3.644 -1.763 5.404 1.00 0.00 C ATOM 680 CG1 VAL A 43 2.453 -1.958 4.477 1.00 0.00 C ATOM 681 CG2 VAL A 43 4.601 -2.942 5.310 1.00 0.00 C ATOM 0 H VAL A 43 5.472 -0.738 6.840 1.00 0.00 H new ATOM 0 HA VAL A 43 4.752 -0.495 4.055 1.00 0.00 H new ATOM 0 HB VAL A 43 3.272 -1.706 6.427 1.00 0.00 H new ATOM 0 HG11 VAL A 43 1.949 -2.893 4.724 1.00 0.00 H new ATOM 0 HG12 VAL A 43 1.757 -1.128 4.599 1.00 0.00 H new ATOM 0 HG13 VAL A 43 2.798 -1.994 3.444 1.00 0.00 H new ATOM 0 HG21 VAL A 43 4.068 -3.863 5.544 1.00 0.00 H new ATOM 0 HG22 VAL A 43 5.005 -3.003 4.299 1.00 0.00 H new ATOM 0 HG23 VAL A 43 5.418 -2.805 6.019 1.00 0.00 H new ATOM 691 N HIS A 44 2.994 1.266 4.060 1.00 0.00 N ATOM 692 CA HIS A 44 2.055 2.382 4.039 1.00 0.00 C ATOM 693 C HIS A 44 0.836 2.051 3.183 1.00 0.00 C ATOM 694 O HIS A 44 0.936 1.931 1.962 1.00 0.00 O ATOM 695 CB HIS A 44 2.738 3.642 3.507 1.00 0.00 C ATOM 696 CG HIS A 44 3.927 4.065 4.315 1.00 0.00 C ATOM 697 ND1 HIS A 44 3.857 5.004 5.322 1.00 0.00 N ATOM 698 CD2 HIS A 44 5.220 3.669 4.260 1.00 0.00 C ATOM 699 CE1 HIS A 44 5.057 5.169 5.850 1.00 0.00 C ATOM 700 NE2 HIS A 44 5.902 4.370 5.224 1.00 0.00 N ATOM 0 H HIS A 44 3.307 0.961 3.138 1.00 0.00 H new ATOM 0 HA HIS A 44 1.722 2.562 5.061 1.00 0.00 H new ATOM 0 HB2 HIS A 44 3.052 3.468 2.478 1.00 0.00 H new ATOM 0 HB3 HIS A 44 2.014 4.457 3.487 1.00 0.00 H new ATOM 0 HD2 HIS A 44 5.638 2.938 3.584 1.00 0.00 H new ATOM 0 HE1 HIS A 44 5.305 5.843 6.657 1.00 0.00 H new ATOM 0 HE2 HIS A 44 6.899 4.287 5.424 1.00 0.00 H new ATOM 709 N PHE A 45 -0.314 1.903 3.832 1.00 0.00 N ATOM 710 CA PHE A 45 -1.552 1.583 3.131 1.00 0.00 C ATOM 711 C PHE A 45 -2.177 2.839 2.530 1.00 0.00 C ATOM 712 O PHE A 45 -1.971 3.946 3.029 1.00 0.00 O ATOM 713 CB PHE A 45 -2.544 0.912 4.083 1.00 0.00 C ATOM 714 CG PHE A 45 -2.271 -0.549 4.302 1.00 0.00 C ATOM 715 CD1 PHE A 45 -2.831 -1.504 3.469 1.00 0.00 C ATOM 716 CD2 PHE A 45 -1.455 -0.967 5.340 1.00 0.00 C ATOM 717 CE1 PHE A 45 -2.582 -2.849 3.667 1.00 0.00 C ATOM 718 CE2 PHE A 45 -1.201 -2.310 5.543 1.00 0.00 C ATOM 719 CZ PHE A 45 -1.767 -3.252 4.706 1.00 0.00 C ATOM 0 H PHE A 45 -0.414 2.000 4.842 1.00 0.00 H new ATOM 0 HA PHE A 45 -1.313 0.894 2.321 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -2.518 1.426 5.044 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -3.552 1.029 3.686 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -3.470 -1.194 2.655 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -1.012 -0.235 5.999 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -3.024 -3.583 3.010 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -0.561 -2.623 6.355 1.00 0.00 H new ATOM 0 HZ PHE A 45 -1.572 -4.302 4.864 1.00 0.00 H new ATOM 729 N ILE A 46 -2.939 2.658 1.457 1.00 0.00 N ATOM 730 CA ILE A 46 -3.593 3.776 0.788 1.00 0.00 C ATOM 731 C ILE A 46 -5.084 3.812 1.110 1.00 0.00 C ATOM 732 O ILE A 46 -5.784 2.810 0.970 1.00 0.00 O ATOM 733 CB ILE A 46 -3.411 3.703 -0.739 1.00 0.00 C ATOM 734 CG1 ILE A 46 -1.928 3.582 -1.093 1.00 0.00 C ATOM 735 CG2 ILE A 46 -4.022 4.927 -1.404 1.00 0.00 C ATOM 736 CD1 ILE A 46 -1.090 4.734 -0.584 1.00 0.00 C ATOM 0 H ILE A 46 -3.119 1.748 1.032 1.00 0.00 H new ATOM 0 HA ILE A 46 -3.121 4.686 1.158 1.00 0.00 H new ATOM 0 HB ILE A 46 -3.927 2.817 -1.109 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -1.539 2.651 -0.681 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -1.825 3.519 -2.176 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -3.885 4.861 -2.483 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -5.087 4.972 -1.175 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -3.532 5.826 -1.031 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -0.050 4.582 -0.871 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -1.453 5.667 -1.016 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -1.163 4.785 0.502 1.00 0.00 H new ATOM 748 N TYR A 47 -5.562 4.975 1.541 1.00 0.00 N ATOM 749 CA TYR A 47 -6.969 5.142 1.883 1.00 0.00 C ATOM 750 C TYR A 47 -7.600 6.261 1.060 1.00 0.00 C ATOM 751 O TYR A 47 -6.901 7.088 0.474 1.00 0.00 O ATOM 752 CB TYR A 47 -7.120 5.445 3.375 1.00 0.00 C ATOM 753 CG TYR A 47 -6.603 4.342 4.272 1.00 0.00 C ATOM 754 CD1 TYR A 47 -5.238 4.131 4.430 1.00 0.00 C ATOM 755 CD2 TYR A 47 -7.478 3.511 4.960 1.00 0.00 C ATOM 756 CE1 TYR A 47 -4.761 3.125 5.247 1.00 0.00 C ATOM 757 CE2 TYR A 47 -7.010 2.503 5.780 1.00 0.00 C ATOM 758 CZ TYR A 47 -5.651 2.314 5.920 1.00 0.00 C ATOM 759 OH TYR A 47 -5.180 1.310 6.736 1.00 0.00 O ATOM 0 H TYR A 47 -4.996 5.815 1.661 1.00 0.00 H new ATOM 0 HA TYR A 47 -7.486 4.210 1.654 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -6.589 6.368 3.605 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -8.173 5.619 3.597 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -4.539 4.765 3.905 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -8.543 3.656 4.852 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -3.697 2.974 5.358 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -7.704 1.866 6.309 1.00 0.00 H new ATOM 0 HH TYR A 47 -5.936 0.832 7.136 1.00 0.00 H new ATOM 769 N THR A 48 -8.929 6.281 1.021 1.00 0.00 N ATOM 770 CA THR A 48 -9.657 7.296 0.271 1.00 0.00 C ATOM 771 C THR A 48 -10.057 8.462 1.168 1.00 0.00 C ATOM 772 O THR A 48 -10.063 8.341 2.393 1.00 0.00 O ATOM 773 CB THR A 48 -10.922 6.710 -0.386 1.00 0.00 C ATOM 774 OG1 THR A 48 -11.867 6.333 0.622 1.00 0.00 O ATOM 775 CG2 THR A 48 -10.577 5.502 -1.242 1.00 0.00 C ATOM 0 H THR A 48 -9.523 5.605 1.501 1.00 0.00 H new ATOM 0 HA THR A 48 -8.985 7.655 -0.508 1.00 0.00 H new ATOM 0 HB THR A 48 -11.360 7.475 -1.026 1.00 0.00 H new ATOM 0 HG1 THR A 48 -12.761 6.269 0.225 1.00 0.00 H new ATOM 0 HG21 THR A 48 -11.486 5.106 -1.695 1.00 0.00 H new ATOM 0 HG22 THR A 48 -9.880 5.799 -2.026 1.00 0.00 H new ATOM 0 HG23 THR A 48 -10.118 4.734 -0.619 1.00 0.00 H new ATOM 783 N ARG A 49 -10.391 9.590 0.550 1.00 0.00 N ATOM 784 CA ARG A 49 -10.792 10.778 1.293 1.00 0.00 C ATOM 785 C ARG A 49 -11.927 10.457 2.262 1.00 0.00 C ATOM 786 O ARG A 49 -12.149 11.179 3.233 1.00 0.00 O ATOM 787 CB ARG A 49 -11.227 11.885 0.331 1.00 0.00 C ATOM 788 CG ARG A 49 -12.600 11.658 -0.278 1.00 0.00 C ATOM 789 CD ARG A 49 -13.707 12.136 0.649 1.00 0.00 C ATOM 790 NE ARG A 49 -14.935 12.446 -0.078 1.00 0.00 N ATOM 791 CZ ARG A 49 -15.158 13.608 -0.681 1.00 0.00 C ATOM 792 NH1 ARG A 49 -14.241 14.565 -0.644 1.00 0.00 N ATOM 793 NH2 ARG A 49 -16.301 13.815 -1.323 1.00 0.00 N ATOM 0 H ARG A 49 -10.392 9.706 -0.463 1.00 0.00 H new ATOM 0 HA ARG A 49 -9.933 11.122 1.868 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -11.227 12.837 0.862 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -10.493 11.968 -0.470 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -12.668 12.185 -1.230 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -12.734 10.597 -0.490 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -13.912 11.368 1.395 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -13.371 13.022 1.188 1.00 0.00 H new ATOM 0 HE ARG A 49 -15.661 11.731 -0.125 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -13.361 14.410 -0.151 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -14.415 15.456 -1.108 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -17.009 13.081 -1.353 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -16.472 14.708 -1.786 1.00 0.00 H new ATOM 807 N GLU A 50 -12.640 9.369 1.989 1.00 0.00 N ATOM 808 CA GLU A 50 -13.752 8.953 2.835 1.00 0.00 C ATOM 809 C GLU A 50 -13.252 8.165 4.043 1.00 0.00 C ATOM 810 O GLU A 50 -13.921 8.096 5.073 1.00 0.00 O ATOM 811 CB GLU A 50 -14.743 8.105 2.034 1.00 0.00 C ATOM 812 CG GLU A 50 -15.412 8.861 0.899 1.00 0.00 C ATOM 813 CD GLU A 50 -16.680 9.569 1.336 1.00 0.00 C ATOM 814 OE1 GLU A 50 -16.578 10.695 1.867 1.00 0.00 O ATOM 815 OE2 GLU A 50 -17.773 8.997 1.147 1.00 0.00 O ATOM 0 H GLU A 50 -12.467 8.760 1.189 1.00 0.00 H new ATOM 0 HA GLU A 50 -14.258 9.850 3.192 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -14.221 7.240 1.625 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -15.510 7.725 2.708 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -14.713 9.593 0.494 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -15.648 8.165 0.094 1.00 0.00 H new ATOM 822 N GLY A 51 -12.070 7.572 3.907 1.00 0.00 N ATOM 823 CA GLY A 51 -11.500 6.797 4.993 1.00 0.00 C ATOM 824 C GLY A 51 -11.673 5.304 4.793 1.00 0.00 C ATOM 825 O GLY A 51 -11.999 4.579 5.733 1.00 0.00 O ATOM 0 H GLY A 51 -11.497 7.615 3.064 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -10.438 7.028 5.082 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -11.970 7.092 5.931 1.00 0.00 H new ATOM 829 N ARG A 52 -11.456 4.844 3.565 1.00 0.00 N ATOM 830 CA ARG A 52 -11.592 3.429 3.244 1.00 0.00 C ATOM 831 C ARG A 52 -10.267 2.851 2.756 1.00 0.00 C ATOM 832 O ARG A 52 -9.241 3.532 2.768 1.00 0.00 O ATOM 833 CB ARG A 52 -12.671 3.228 2.179 1.00 0.00 C ATOM 834 CG ARG A 52 -14.044 3.725 2.600 1.00 0.00 C ATOM 835 CD ARG A 52 -15.114 3.328 1.595 1.00 0.00 C ATOM 836 NE ARG A 52 -15.254 4.313 0.527 1.00 0.00 N ATOM 837 CZ ARG A 52 -14.495 4.327 -0.564 1.00 0.00 C ATOM 838 NH1 ARG A 52 -13.549 3.414 -0.729 1.00 0.00 N ATOM 839 NH2 ARG A 52 -14.684 5.256 -1.492 1.00 0.00 N ATOM 0 H ARG A 52 -11.185 5.431 2.776 1.00 0.00 H new ATOM 0 HA ARG A 52 -11.885 2.903 4.153 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -12.371 3.745 1.268 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -12.737 2.167 1.937 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -14.295 3.318 3.580 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -14.024 4.810 2.702 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -14.864 2.359 1.164 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -16.068 3.212 2.109 1.00 0.00 H new ATOM 0 HE ARG A 52 -15.973 5.030 0.623 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -13.402 2.698 -0.018 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -12.968 3.427 -1.567 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -15.412 5.960 -1.368 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -14.101 5.267 -2.329 1.00 0.00 H new ATOM 853 N GLN A 53 -10.297 1.593 2.329 1.00 0.00 N ATOM 854 CA GLN A 53 -9.097 0.925 1.839 1.00 0.00 C ATOM 855 C GLN A 53 -9.149 0.757 0.324 1.00 0.00 C ATOM 856 O GLN A 53 -9.495 -0.311 -0.181 1.00 0.00 O ATOM 857 CB GLN A 53 -8.939 -0.441 2.510 1.00 0.00 C ATOM 858 CG GLN A 53 -8.280 -0.373 3.879 1.00 0.00 C ATOM 859 CD GLN A 53 -7.515 -1.636 4.222 1.00 0.00 C ATOM 860 OE1 GLN A 53 -7.725 -2.235 5.277 1.00 0.00 O ATOM 861 NE2 GLN A 53 -6.622 -2.048 3.330 1.00 0.00 N ATOM 0 H GLN A 53 -11.138 1.016 2.312 1.00 0.00 H new ATOM 0 HA GLN A 53 -8.237 1.547 2.089 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -9.921 -0.903 2.611 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -8.347 -1.088 1.863 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -7.600 0.478 3.909 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -9.043 -0.198 4.637 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -6.481 -1.520 2.469 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -6.077 -2.892 3.506 1.00 0.00 H new ATOM 870 N SER A 54 -8.802 1.819 -0.396 1.00 0.00 N ATOM 871 CA SER A 54 -8.813 1.790 -1.854 1.00 0.00 C ATOM 872 C SER A 54 -8.197 0.496 -2.377 1.00 0.00 C ATOM 873 O SER A 54 -8.602 -0.022 -3.416 1.00 0.00 O ATOM 874 CB SER A 54 -8.051 2.993 -2.415 1.00 0.00 C ATOM 875 OG SER A 54 -6.702 2.989 -1.981 1.00 0.00 O ATOM 0 H SER A 54 -8.510 2.710 0.006 1.00 0.00 H new ATOM 0 HA SER A 54 -9.850 1.838 -2.185 1.00 0.00 H new ATOM 0 HB2 SER A 54 -8.086 2.974 -3.504 1.00 0.00 H new ATOM 0 HB3 SER A 54 -8.536 3.916 -2.097 1.00 0.00 H new ATOM 0 HG SER A 54 -6.673 3.007 -1.002 1.00 0.00 H new ATOM 881 N GLY A 55 -7.214 -0.022 -1.646 1.00 0.00 N ATOM 882 CA GLY A 55 -6.557 -1.251 -2.050 1.00 0.00 C ATOM 883 C GLY A 55 -5.057 -1.087 -2.194 1.00 0.00 C ATOM 884 O GLY A 55 -4.291 -1.975 -1.821 1.00 0.00 O ATOM 0 H GLY A 55 -6.861 0.388 -0.781 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -6.765 -2.029 -1.316 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -6.975 -1.588 -2.999 1.00 0.00 H new ATOM 888 N GLU A 56 -4.637 0.051 -2.738 1.00 0.00 N ATOM 889 CA GLU A 56 -3.219 0.327 -2.932 1.00 0.00 C ATOM 890 C GLU A 56 -2.496 0.432 -1.592 1.00 0.00 C ATOM 891 O GLU A 56 -3.080 0.846 -0.591 1.00 0.00 O ATOM 892 CB GLU A 56 -3.032 1.621 -3.727 1.00 0.00 C ATOM 893 CG GLU A 56 -3.255 1.455 -5.221 1.00 0.00 C ATOM 894 CD GLU A 56 -3.435 2.780 -5.935 1.00 0.00 C ATOM 895 OE1 GLU A 56 -4.579 3.281 -5.976 1.00 0.00 O ATOM 896 OE2 GLU A 56 -2.433 3.317 -6.453 1.00 0.00 O ATOM 0 H GLU A 56 -5.259 0.796 -3.052 1.00 0.00 H new ATOM 0 HA GLU A 56 -2.788 -0.502 -3.494 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -3.722 2.374 -3.347 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -2.023 1.999 -3.558 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -2.407 0.925 -5.654 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -4.136 0.835 -5.386 1.00 0.00 H new ATOM 903 N ALA A 57 -1.222 0.053 -1.582 1.00 0.00 N ATOM 904 CA ALA A 57 -0.419 0.105 -0.367 1.00 0.00 C ATOM 905 C ALA A 57 1.070 0.051 -0.690 1.00 0.00 C ATOM 906 O ALA A 57 1.559 -0.934 -1.243 1.00 0.00 O ATOM 907 CB ALA A 57 -0.801 -1.033 0.568 1.00 0.00 C ATOM 0 H ALA A 57 -0.724 -0.293 -2.402 1.00 0.00 H new ATOM 0 HA ALA A 57 -0.621 1.053 0.132 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -0.193 -0.981 1.471 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -1.854 -0.947 0.834 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -0.629 -1.987 0.069 1.00 0.00 H new ATOM 913 N PHE A 58 1.786 1.115 -0.341 1.00 0.00 N ATOM 914 CA PHE A 58 3.220 1.188 -0.596 1.00 0.00 C ATOM 915 C PHE A 58 4.002 0.445 0.483 1.00 0.00 C ATOM 916 O PHE A 58 3.455 0.083 1.525 1.00 0.00 O ATOM 917 CB PHE A 58 3.674 2.648 -0.658 1.00 0.00 C ATOM 918 CG PHE A 58 3.175 3.380 -1.871 1.00 0.00 C ATOM 919 CD1 PHE A 58 1.839 3.728 -1.985 1.00 0.00 C ATOM 920 CD2 PHE A 58 4.042 3.720 -2.896 1.00 0.00 C ATOM 921 CE1 PHE A 58 1.377 4.401 -3.101 1.00 0.00 C ATOM 922 CE2 PHE A 58 3.586 4.394 -4.014 1.00 0.00 C ATOM 923 CZ PHE A 58 2.252 4.735 -4.116 1.00 0.00 C ATOM 0 H PHE A 58 1.397 1.938 0.119 1.00 0.00 H new ATOM 0 HA PHE A 58 3.419 0.712 -1.556 1.00 0.00 H new ATOM 0 HB2 PHE A 58 3.328 3.166 0.237 1.00 0.00 H new ATOM 0 HB3 PHE A 58 4.763 2.682 -0.645 1.00 0.00 H new ATOM 0 HD1 PHE A 58 1.151 3.471 -1.193 1.00 0.00 H new ATOM 0 HD2 PHE A 58 5.086 3.456 -2.821 1.00 0.00 H new ATOM 0 HE1 PHE A 58 0.333 4.665 -3.179 1.00 0.00 H new ATOM 0 HE2 PHE A 58 4.272 4.653 -4.806 1.00 0.00 H new ATOM 0 HZ PHE A 58 1.893 5.262 -4.988 1.00 0.00 H new ATOM 933 N VAL A 59 5.287 0.222 0.225 1.00 0.00 N ATOM 934 CA VAL A 59 6.147 -0.477 1.173 1.00 0.00 C ATOM 935 C VAL A 59 7.611 -0.111 0.961 1.00 0.00 C ATOM 936 O VAL A 59 8.108 -0.129 -0.165 1.00 0.00 O ATOM 937 CB VAL A 59 5.988 -2.005 1.054 1.00 0.00 C ATOM 938 CG1 VAL A 59 6.911 -2.715 2.032 1.00 0.00 C ATOM 939 CG2 VAL A 59 4.540 -2.409 1.285 1.00 0.00 C ATOM 0 H VAL A 59 5.755 0.515 -0.632 1.00 0.00 H new ATOM 0 HA VAL A 59 5.839 -0.164 2.170 1.00 0.00 H new ATOM 0 HB VAL A 59 6.268 -2.305 0.044 1.00 0.00 H new ATOM 0 HG11 VAL A 59 6.785 -3.793 1.934 1.00 0.00 H new ATOM 0 HG12 VAL A 59 7.945 -2.449 1.814 1.00 0.00 H new ATOM 0 HG13 VAL A 59 6.665 -2.412 3.050 1.00 0.00 H new ATOM 0 HG21 VAL A 59 4.446 -3.491 1.197 1.00 0.00 H new ATOM 0 HG22 VAL A 59 4.230 -2.097 2.282 1.00 0.00 H new ATOM 0 HG23 VAL A 59 3.905 -1.928 0.541 1.00 0.00 H new ATOM 949 N GLU A 60 8.297 0.221 2.050 1.00 0.00 N ATOM 950 CA GLU A 60 9.705 0.591 1.982 1.00 0.00 C ATOM 951 C GLU A 60 10.599 -0.640 2.098 1.00 0.00 C ATOM 952 O GLU A 60 10.280 -1.587 2.820 1.00 0.00 O ATOM 953 CB GLU A 60 10.047 1.589 3.091 1.00 0.00 C ATOM 954 CG GLU A 60 9.423 2.959 2.891 1.00 0.00 C ATOM 955 CD GLU A 60 9.775 3.929 4.002 1.00 0.00 C ATOM 956 OE1 GLU A 60 9.087 3.913 5.044 1.00 0.00 O ATOM 957 OE2 GLU A 60 10.739 4.704 3.829 1.00 0.00 O ATOM 0 H GLU A 60 7.900 0.241 2.989 1.00 0.00 H new ATOM 0 HA GLU A 60 9.884 1.058 1.014 1.00 0.00 H new ATOM 0 HB2 GLU A 60 9.715 1.184 4.047 1.00 0.00 H new ATOM 0 HB3 GLU A 60 11.130 1.697 3.149 1.00 0.00 H new ATOM 0 HG2 GLU A 60 9.755 3.369 1.937 1.00 0.00 H new ATOM 0 HG3 GLU A 60 8.339 2.856 2.834 1.00 0.00 H new ATOM 964 N LEU A 61 11.717 -0.622 1.382 1.00 0.00 N ATOM 965 CA LEU A 61 12.658 -1.737 1.403 1.00 0.00 C ATOM 966 C LEU A 61 13.981 -1.322 2.038 1.00 0.00 C ATOM 967 O LEU A 61 14.152 -0.172 2.443 1.00 0.00 O ATOM 968 CB LEU A 61 12.900 -2.252 -0.017 1.00 0.00 C ATOM 969 CG LEU A 61 11.664 -2.739 -0.775 1.00 0.00 C ATOM 970 CD1 LEU A 61 12.054 -3.277 -2.143 1.00 0.00 C ATOM 971 CD2 LEU A 61 10.931 -3.803 0.029 1.00 0.00 C ATOM 0 H LEU A 61 11.995 0.153 0.779 1.00 0.00 H new ATOM 0 HA LEU A 61 12.223 -2.536 2.004 1.00 0.00 H new ATOM 0 HB2 LEU A 61 13.366 -1.455 -0.596 1.00 0.00 H new ATOM 0 HB3 LEU A 61 13.617 -3.071 0.033 1.00 0.00 H new ATOM 0 HG LEU A 61 10.992 -1.893 -0.918 1.00 0.00 H new ATOM 0 HD11 LEU A 61 11.162 -3.619 -2.667 1.00 0.00 H new ATOM 0 HD12 LEU A 61 12.535 -2.488 -2.721 1.00 0.00 H new ATOM 0 HD13 LEU A 61 12.746 -4.111 -2.022 1.00 0.00 H new ATOM 0 HD21 LEU A 61 10.054 -4.138 -0.525 1.00 0.00 H new ATOM 0 HD22 LEU A 61 11.595 -4.649 0.203 1.00 0.00 H new ATOM 0 HD23 LEU A 61 10.618 -3.385 0.985 1.00 0.00 H new ATOM 983 N GLU A 62 14.914 -2.265 2.120 1.00 0.00 N ATOM 984 CA GLU A 62 16.222 -1.995 2.704 1.00 0.00 C ATOM 985 C GLU A 62 17.243 -1.655 1.622 1.00 0.00 C ATOM 986 O GLU A 62 17.994 -0.687 1.744 1.00 0.00 O ATOM 987 CB GLU A 62 16.703 -3.203 3.512 1.00 0.00 C ATOM 988 CG GLU A 62 18.060 -2.998 4.164 1.00 0.00 C ATOM 989 CD GLU A 62 17.977 -2.186 5.442 1.00 0.00 C ATOM 990 OE1 GLU A 62 17.048 -2.428 6.240 1.00 0.00 O ATOM 991 OE2 GLU A 62 18.842 -1.308 5.644 1.00 0.00 O ATOM 0 H GLU A 62 14.788 -3.222 1.790 1.00 0.00 H new ATOM 0 HA GLU A 62 16.124 -1.137 3.369 1.00 0.00 H new ATOM 0 HB2 GLU A 62 15.968 -3.428 4.285 1.00 0.00 H new ATOM 0 HB3 GLU A 62 16.752 -4.072 2.856 1.00 0.00 H new ATOM 0 HG2 GLU A 62 18.504 -3.969 4.383 1.00 0.00 H new ATOM 0 HG3 GLU A 62 18.724 -2.495 3.461 1.00 0.00 H new ATOM 998 N SER A 63 17.264 -2.459 0.563 1.00 0.00 N ATOM 999 CA SER A 63 18.194 -2.246 -0.539 1.00 0.00 C ATOM 1000 C SER A 63 17.494 -2.428 -1.883 1.00 0.00 C ATOM 1001 O SER A 63 16.310 -2.757 -1.938 1.00 0.00 O ATOM 1002 CB SER A 63 19.375 -3.213 -0.432 1.00 0.00 C ATOM 1003 OG SER A 63 19.945 -3.179 0.865 1.00 0.00 O ATOM 0 H SER A 63 16.648 -3.263 0.446 1.00 0.00 H new ATOM 0 HA SER A 63 18.564 -1.223 -0.477 1.00 0.00 H new ATOM 0 HB2 SER A 63 19.042 -4.226 -0.660 1.00 0.00 H new ATOM 0 HB3 SER A 63 20.131 -2.952 -1.172 1.00 0.00 H new ATOM 0 HG SER A 63 20.697 -3.806 0.909 1.00 0.00 H new ATOM 1009 N GLU A 64 18.237 -2.210 -2.964 1.00 0.00 N ATOM 1010 CA GLU A 64 17.688 -2.348 -4.308 1.00 0.00 C ATOM 1011 C GLU A 64 17.168 -3.764 -4.540 1.00 0.00 C ATOM 1012 O GLU A 64 15.998 -3.961 -4.869 1.00 0.00 O ATOM 1013 CB GLU A 64 18.750 -2.005 -5.354 1.00 0.00 C ATOM 1014 CG GLU A 64 18.197 -1.875 -6.763 1.00 0.00 C ATOM 1015 CD GLU A 64 19.226 -1.357 -7.749 1.00 0.00 C ATOM 1016 OE1 GLU A 64 20.403 -1.762 -7.647 1.00 0.00 O ATOM 1017 OE2 GLU A 64 18.854 -0.547 -8.623 1.00 0.00 O ATOM 0 H GLU A 64 19.219 -1.937 -2.935 1.00 0.00 H new ATOM 0 HA GLU A 64 16.854 -1.653 -4.406 1.00 0.00 H new ATOM 0 HB2 GLU A 64 19.234 -1.069 -5.075 1.00 0.00 H new ATOM 0 HB3 GLU A 64 19.520 -2.777 -5.345 1.00 0.00 H new ATOM 0 HG2 GLU A 64 17.835 -2.847 -7.098 1.00 0.00 H new ATOM 0 HG3 GLU A 64 17.339 -1.202 -6.752 1.00 0.00 H new ATOM 1024 N ASP A 65 18.045 -4.746 -4.366 1.00 0.00 N ATOM 1025 CA ASP A 65 17.676 -6.144 -4.555 1.00 0.00 C ATOM 1026 C ASP A 65 16.226 -6.383 -4.145 1.00 0.00 C ATOM 1027 O ASP A 65 15.469 -7.042 -4.858 1.00 0.00 O ATOM 1028 CB ASP A 65 18.604 -7.053 -3.748 1.00 0.00 C ATOM 1029 CG ASP A 65 18.363 -8.523 -4.029 1.00 0.00 C ATOM 1030 OD1 ASP A 65 19.002 -9.063 -4.957 1.00 0.00 O ATOM 1031 OD2 ASP A 65 17.535 -9.134 -3.322 1.00 0.00 O ATOM 0 H ASP A 65 19.017 -4.600 -4.094 1.00 0.00 H new ATOM 0 HA ASP A 65 17.779 -6.381 -5.614 1.00 0.00 H new ATOM 0 HB2 ASP A 65 19.640 -6.807 -3.980 1.00 0.00 H new ATOM 0 HB3 ASP A 65 18.461 -6.861 -2.685 1.00 0.00 H new ATOM 1036 N ASP A 66 15.847 -5.845 -2.991 1.00 0.00 N ATOM 1037 CA ASP A 66 14.488 -6.000 -2.485 1.00 0.00 C ATOM 1038 C ASP A 66 13.465 -5.633 -3.555 1.00 0.00 C ATOM 1039 O ASP A 66 12.511 -6.373 -3.797 1.00 0.00 O ATOM 1040 CB ASP A 66 14.281 -5.130 -1.244 1.00 0.00 C ATOM 1041 CG ASP A 66 14.971 -5.696 -0.019 1.00 0.00 C ATOM 1042 OD1 ASP A 66 14.980 -6.935 0.139 1.00 0.00 O ATOM 1043 OD2 ASP A 66 15.503 -4.900 0.783 1.00 0.00 O ATOM 0 H ASP A 66 16.462 -5.298 -2.388 1.00 0.00 H new ATOM 0 HA ASP A 66 14.344 -7.046 -2.214 1.00 0.00 H new ATOM 0 HB2 ASP A 66 14.660 -4.127 -1.440 1.00 0.00 H new ATOM 0 HB3 ASP A 66 13.214 -5.034 -1.045 1.00 0.00 H new ATOM 1048 N VAL A 67 13.669 -4.485 -4.193 1.00 0.00 N ATOM 1049 CA VAL A 67 12.764 -4.020 -5.238 1.00 0.00 C ATOM 1050 C VAL A 67 12.603 -5.069 -6.332 1.00 0.00 C ATOM 1051 O VAL A 67 11.503 -5.566 -6.574 1.00 0.00 O ATOM 1052 CB VAL A 67 13.264 -2.707 -5.870 1.00 0.00 C ATOM 1053 CG1 VAL A 67 12.232 -2.155 -6.841 1.00 0.00 C ATOM 1054 CG2 VAL A 67 13.591 -1.687 -4.790 1.00 0.00 C ATOM 0 H VAL A 67 14.453 -3.860 -4.005 1.00 0.00 H new ATOM 0 HA VAL A 67 11.798 -3.842 -4.765 1.00 0.00 H new ATOM 0 HB VAL A 67 14.177 -2.917 -6.428 1.00 0.00 H new ATOM 0 HG11 VAL A 67 12.603 -1.228 -7.277 1.00 0.00 H new ATOM 0 HG12 VAL A 67 12.052 -2.882 -7.633 1.00 0.00 H new ATOM 0 HG13 VAL A 67 11.301 -1.959 -6.310 1.00 0.00 H new ATOM 0 HG21 VAL A 67 13.943 -0.766 -5.254 1.00 0.00 H new ATOM 0 HG22 VAL A 67 12.696 -1.479 -4.203 1.00 0.00 H new ATOM 0 HG23 VAL A 67 14.369 -2.084 -4.138 1.00 0.00 H new ATOM 1064 N LYS A 68 13.706 -5.401 -6.993 1.00 0.00 N ATOM 1065 CA LYS A 68 13.690 -6.393 -8.062 1.00 0.00 C ATOM 1066 C LYS A 68 12.927 -7.642 -7.633 1.00 0.00 C ATOM 1067 O LYS A 68 12.117 -8.178 -8.391 1.00 0.00 O ATOM 1068 CB LYS A 68 15.119 -6.767 -8.461 1.00 0.00 C ATOM 1069 CG LYS A 68 15.984 -5.570 -8.816 1.00 0.00 C ATOM 1070 CD LYS A 68 17.411 -5.988 -9.132 1.00 0.00 C ATOM 1071 CE LYS A 68 18.288 -4.785 -9.441 1.00 0.00 C ATOM 1072 NZ LYS A 68 18.195 -4.383 -10.872 1.00 0.00 N ATOM 0 H LYS A 68 14.624 -4.997 -6.807 1.00 0.00 H new ATOM 0 HA LYS A 68 13.183 -5.956 -8.922 1.00 0.00 H new ATOM 0 HB2 LYS A 68 15.586 -7.311 -7.640 1.00 0.00 H new ATOM 0 HB3 LYS A 68 15.084 -7.445 -9.314 1.00 0.00 H new ATOM 0 HG2 LYS A 68 15.557 -5.053 -9.675 1.00 0.00 H new ATOM 0 HG3 LYS A 68 15.986 -4.863 -7.987 1.00 0.00 H new ATOM 0 HD2 LYS A 68 17.827 -6.535 -8.286 1.00 0.00 H new ATOM 0 HD3 LYS A 68 17.412 -6.669 -9.983 1.00 0.00 H new ATOM 0 HE2 LYS A 68 17.992 -3.948 -8.809 1.00 0.00 H new ATOM 0 HE3 LYS A 68 19.324 -5.019 -9.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 18.807 -3.560 -11.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 18.502 -5.173 -11.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 17.211 -4.135 -11.100 1.00 0.00 H new ATOM 1086 N LEU A 69 13.189 -8.100 -6.414 1.00 0.00 N ATOM 1087 CA LEU A 69 12.525 -9.286 -5.884 1.00 0.00 C ATOM 1088 C LEU A 69 11.024 -9.054 -5.745 1.00 0.00 C ATOM 1089 O LEU A 69 10.216 -9.872 -6.184 1.00 0.00 O ATOM 1090 CB LEU A 69 13.122 -9.665 -4.527 1.00 0.00 C ATOM 1091 CG LEU A 69 14.599 -10.060 -4.531 1.00 0.00 C ATOM 1092 CD1 LEU A 69 15.113 -10.216 -3.108 1.00 0.00 C ATOM 1093 CD2 LEU A 69 14.805 -11.346 -5.318 1.00 0.00 C ATOM 0 H LEU A 69 13.856 -7.669 -5.774 1.00 0.00 H new ATOM 0 HA LEU A 69 12.684 -10.105 -6.586 1.00 0.00 H new ATOM 0 HB2 LEU A 69 12.994 -8.822 -3.848 1.00 0.00 H new ATOM 0 HB3 LEU A 69 12.546 -10.495 -4.118 1.00 0.00 H new ATOM 0 HG LEU A 69 15.167 -9.266 -5.016 1.00 0.00 H new ATOM 0 HD11 LEU A 69 16.166 -10.497 -3.130 1.00 0.00 H new ATOM 0 HD12 LEU A 69 15.001 -9.272 -2.575 1.00 0.00 H new ATOM 0 HD13 LEU A 69 14.541 -10.991 -2.597 1.00 0.00 H new ATOM 0 HD21 LEU A 69 15.862 -11.612 -5.310 1.00 0.00 H new ATOM 0 HD22 LEU A 69 14.225 -12.149 -4.862 1.00 0.00 H new ATOM 0 HD23 LEU A 69 14.475 -11.200 -6.347 1.00 0.00 H new ATOM 1105 N ALA A 70 10.658 -7.932 -5.133 1.00 0.00 N ATOM 1106 CA ALA A 70 9.255 -7.590 -4.940 1.00 0.00 C ATOM 1107 C ALA A 70 8.481 -7.688 -6.250 1.00 0.00 C ATOM 1108 O ALA A 70 7.383 -8.247 -6.295 1.00 0.00 O ATOM 1109 CB ALA A 70 9.128 -6.192 -4.353 1.00 0.00 C ATOM 0 H ALA A 70 11.314 -7.245 -4.763 1.00 0.00 H new ATOM 0 HA ALA A 70 8.825 -8.306 -4.240 1.00 0.00 H new ATOM 0 HB1 ALA A 70 8.074 -5.950 -4.214 1.00 0.00 H new ATOM 0 HB2 ALA A 70 9.639 -6.154 -3.391 1.00 0.00 H new ATOM 0 HB3 ALA A 70 9.580 -5.470 -5.033 1.00 0.00 H new ATOM 1115 N LEU A 71 9.057 -7.142 -7.315 1.00 0.00 N ATOM 1116 CA LEU A 71 8.421 -7.167 -8.627 1.00 0.00 C ATOM 1117 C LEU A 71 8.115 -8.599 -9.056 1.00 0.00 C ATOM 1118 O LEU A 71 7.245 -8.834 -9.895 1.00 0.00 O ATOM 1119 CB LEU A 71 9.320 -6.493 -9.665 1.00 0.00 C ATOM 1120 CG LEU A 71 9.561 -4.995 -9.472 1.00 0.00 C ATOM 1121 CD1 LEU A 71 10.659 -4.507 -10.405 1.00 0.00 C ATOM 1122 CD2 LEU A 71 8.276 -4.214 -9.702 1.00 0.00 C ATOM 0 H LEU A 71 9.964 -6.676 -7.296 1.00 0.00 H new ATOM 0 HA LEU A 71 7.482 -6.618 -8.559 1.00 0.00 H new ATOM 0 HB2 LEU A 71 10.285 -6.999 -9.664 1.00 0.00 H new ATOM 0 HB3 LEU A 71 8.881 -6.646 -10.651 1.00 0.00 H new ATOM 0 HG LEU A 71 9.885 -4.828 -8.445 1.00 0.00 H new ATOM 0 HD11 LEU A 71 10.817 -3.439 -10.254 1.00 0.00 H new ATOM 0 HD12 LEU A 71 11.583 -5.044 -10.192 1.00 0.00 H new ATOM 0 HD13 LEU A 71 10.365 -4.687 -11.439 1.00 0.00 H new ATOM 0 HD21 LEU A 71 8.467 -3.150 -9.560 1.00 0.00 H new ATOM 0 HD22 LEU A 71 7.922 -4.387 -10.718 1.00 0.00 H new ATOM 0 HD23 LEU A 71 7.517 -4.544 -8.992 1.00 0.00 H new ATOM 1134 N LYS A 72 8.833 -9.552 -8.473 1.00 0.00 N ATOM 1135 CA LYS A 72 8.637 -10.961 -8.792 1.00 0.00 C ATOM 1136 C LYS A 72 7.337 -11.480 -8.185 1.00 0.00 C ATOM 1137 O LYS A 72 6.822 -12.521 -8.593 1.00 0.00 O ATOM 1138 CB LYS A 72 9.817 -11.790 -8.280 1.00 0.00 C ATOM 1139 CG LYS A 72 11.168 -11.280 -8.751 1.00 0.00 C ATOM 1140 CD LYS A 72 12.282 -12.258 -8.415 1.00 0.00 C ATOM 1141 CE LYS A 72 13.646 -11.701 -8.793 1.00 0.00 C ATOM 1142 NZ LYS A 72 13.998 -12.009 -10.207 1.00 0.00 N ATOM 0 H LYS A 72 9.557 -9.374 -7.776 1.00 0.00 H new ATOM 0 HA LYS A 72 8.576 -11.057 -9.876 1.00 0.00 H new ATOM 0 HB2 LYS A 72 9.800 -11.796 -7.190 1.00 0.00 H new ATOM 0 HB3 LYS A 72 9.694 -12.823 -8.607 1.00 0.00 H new ATOM 0 HG2 LYS A 72 11.140 -11.115 -9.828 1.00 0.00 H new ATOM 0 HG3 LYS A 72 11.376 -10.316 -8.286 1.00 0.00 H new ATOM 0 HD2 LYS A 72 12.262 -12.481 -7.348 1.00 0.00 H new ATOM 0 HD3 LYS A 72 12.113 -13.198 -8.941 1.00 0.00 H new ATOM 0 HE2 LYS A 72 13.651 -10.621 -8.644 1.00 0.00 H new ATOM 0 HE3 LYS A 72 14.405 -12.118 -8.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 14.934 -11.613 -10.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 14.018 -13.040 -10.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 13.288 -11.590 -10.841 1.00 0.00 H new ATOM 1156 N LYS A 73 6.811 -10.748 -7.210 1.00 0.00 N ATOM 1157 CA LYS A 73 5.569 -11.131 -6.549 1.00 0.00 C ATOM 1158 C LYS A 73 4.360 -10.605 -7.315 1.00 0.00 C ATOM 1159 O LYS A 73 3.257 -10.525 -6.773 1.00 0.00 O ATOM 1160 CB LYS A 73 5.547 -10.602 -5.113 1.00 0.00 C ATOM 1161 CG LYS A 73 6.875 -10.745 -4.391 1.00 0.00 C ATOM 1162 CD LYS A 73 7.160 -12.194 -4.029 1.00 0.00 C ATOM 1163 CE LYS A 73 6.404 -12.614 -2.778 1.00 0.00 C ATOM 1164 NZ LYS A 73 6.210 -14.089 -2.717 1.00 0.00 N ATOM 0 H LYS A 73 7.226 -9.885 -6.859 1.00 0.00 H new ATOM 0 HA LYS A 73 5.518 -12.220 -6.529 1.00 0.00 H new ATOM 0 HB2 LYS A 73 5.262 -9.550 -5.127 1.00 0.00 H new ATOM 0 HB3 LYS A 73 4.779 -11.133 -4.551 1.00 0.00 H new ATOM 0 HG2 LYS A 73 7.677 -10.362 -5.023 1.00 0.00 H new ATOM 0 HG3 LYS A 73 6.865 -10.138 -3.486 1.00 0.00 H new ATOM 0 HD2 LYS A 73 6.878 -12.840 -4.860 1.00 0.00 H new ATOM 0 HD3 LYS A 73 8.230 -12.327 -3.871 1.00 0.00 H new ATOM 0 HE2 LYS A 73 6.950 -12.283 -1.895 1.00 0.00 H new ATOM 0 HE3 LYS A 73 5.433 -12.119 -2.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 6.111 -14.385 -1.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 5.351 -14.348 -3.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 7.032 -14.565 -3.140 1.00 0.00 H new ATOM 1178 N ASP A 74 4.573 -10.250 -8.577 1.00 0.00 N ATOM 1179 CA ASP A 74 3.499 -9.734 -9.418 1.00 0.00 C ATOM 1180 C ASP A 74 2.452 -10.811 -9.684 1.00 0.00 C ATOM 1181 O ASP A 74 2.732 -12.004 -9.567 1.00 0.00 O ATOM 1182 CB ASP A 74 4.064 -9.216 -10.741 1.00 0.00 C ATOM 1183 CG ASP A 74 4.237 -10.318 -11.768 1.00 0.00 C ATOM 1184 OD1 ASP A 74 4.774 -11.386 -11.407 1.00 0.00 O ATOM 1185 OD2 ASP A 74 3.835 -10.112 -12.932 1.00 0.00 O ATOM 0 H ASP A 74 5.480 -10.310 -9.040 1.00 0.00 H new ATOM 0 HA ASP A 74 3.020 -8.910 -8.889 1.00 0.00 H new ATOM 0 HB2 ASP A 74 3.399 -8.451 -11.142 1.00 0.00 H new ATOM 0 HB3 ASP A 74 5.027 -8.738 -10.559 1.00 0.00 H new ATOM 1190 N ARG A 75 1.247 -10.381 -10.042 1.00 0.00 N ATOM 1191 CA ARG A 75 0.157 -11.309 -10.322 1.00 0.00 C ATOM 1192 C ARG A 75 0.120 -12.432 -9.290 1.00 0.00 C ATOM 1193 O ARG A 75 -0.248 -13.564 -9.604 1.00 0.00 O ATOM 1194 CB ARG A 75 0.308 -11.897 -11.726 1.00 0.00 C ATOM 1195 CG ARG A 75 -0.375 -11.075 -12.807 1.00 0.00 C ATOM 1196 CD ARG A 75 0.098 -11.478 -14.195 1.00 0.00 C ATOM 1197 NE ARG A 75 1.463 -11.032 -14.459 1.00 0.00 N ATOM 1198 CZ ARG A 75 2.061 -11.156 -15.639 1.00 0.00 C ATOM 1199 NH1 ARG A 75 1.418 -11.707 -16.658 1.00 0.00 N ATOM 1200 NH2 ARG A 75 3.306 -10.726 -15.801 1.00 0.00 N ATOM 0 H ARG A 75 1.000 -9.397 -10.145 1.00 0.00 H new ATOM 0 HA ARG A 75 -0.781 -10.756 -10.266 1.00 0.00 H new ATOM 0 HB2 ARG A 75 1.369 -11.983 -11.963 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -0.104 -12.906 -11.734 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -1.455 -11.205 -12.737 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -0.171 -10.017 -12.645 1.00 0.00 H new ATOM 0 HD2 ARG A 75 0.045 -12.562 -14.295 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -0.573 -11.055 -14.943 1.00 0.00 H new ATOM 0 HE ARG A 75 1.986 -10.602 -13.696 1.00 0.00 H new ATOM 0 HH11 ARG A 75 0.461 -12.038 -16.538 1.00 0.00 H new ATOM 0 HH12 ARG A 75 1.880 -11.800 -17.562 1.00 0.00 H new ATOM 0 HH21 ARG A 75 3.804 -10.300 -15.019 1.00 0.00 H new ATOM 0 HH22 ARG A 75 3.765 -10.821 -16.707 1.00 0.00 H new ATOM 1214 N GLU A 76 0.505 -12.111 -8.059 1.00 0.00 N ATOM 1215 CA GLU A 76 0.517 -13.094 -6.982 1.00 0.00 C ATOM 1216 C GLU A 76 -0.869 -13.238 -6.361 1.00 0.00 C ATOM 1217 O GLU A 76 -1.809 -12.542 -6.747 1.00 0.00 O ATOM 1218 CB GLU A 76 1.530 -12.693 -5.907 1.00 0.00 C ATOM 1219 CG GLU A 76 2.929 -13.231 -6.158 1.00 0.00 C ATOM 1220 CD GLU A 76 3.106 -14.653 -5.661 1.00 0.00 C ATOM 1221 OE1 GLU A 76 3.361 -14.831 -4.451 1.00 0.00 O ATOM 1222 OE2 GLU A 76 2.988 -15.587 -6.481 1.00 0.00 O ATOM 0 H GLU A 76 0.813 -11.179 -7.783 1.00 0.00 H new ATOM 0 HA GLU A 76 0.808 -14.055 -7.406 1.00 0.00 H new ATOM 0 HB2 GLU A 76 1.573 -11.605 -5.848 1.00 0.00 H new ATOM 0 HB3 GLU A 76 1.180 -13.051 -4.939 1.00 0.00 H new ATOM 0 HG2 GLU A 76 3.142 -13.195 -7.226 1.00 0.00 H new ATOM 0 HG3 GLU A 76 3.656 -12.585 -5.666 1.00 0.00 H new ATOM 1229 N SER A 77 -0.989 -14.145 -5.398 1.00 0.00 N ATOM 1230 CA SER A 77 -2.260 -14.384 -4.726 1.00 0.00 C ATOM 1231 C SER A 77 -2.096 -14.318 -3.210 1.00 0.00 C ATOM 1232 O SER A 77 -1.414 -15.150 -2.612 1.00 0.00 O ATOM 1233 CB SER A 77 -2.826 -15.747 -5.129 1.00 0.00 C ATOM 1234 OG SER A 77 -1.887 -16.781 -4.890 1.00 0.00 O ATOM 0 H SER A 77 -0.220 -14.727 -5.065 1.00 0.00 H new ATOM 0 HA SER A 77 -2.956 -13.603 -5.033 1.00 0.00 H new ATOM 0 HB2 SER A 77 -3.740 -15.945 -4.568 1.00 0.00 H new ATOM 0 HB3 SER A 77 -3.096 -15.734 -6.185 1.00 0.00 H new ATOM 0 HG SER A 77 -1.361 -16.567 -4.091 1.00 0.00 H new ATOM 1240 N MET A 78 -2.725 -13.321 -2.596 1.00 0.00 N ATOM 1241 CA MET A 78 -2.649 -13.146 -1.151 1.00 0.00 C ATOM 1242 C MET A 78 -3.964 -13.541 -0.486 1.00 0.00 C ATOM 1243 O MET A 78 -4.961 -12.827 -0.586 1.00 0.00 O ATOM 1244 CB MET A 78 -2.308 -11.695 -0.809 1.00 0.00 C ATOM 1245 CG MET A 78 -2.422 -11.376 0.673 1.00 0.00 C ATOM 1246 SD MET A 78 -2.520 -9.605 0.998 1.00 0.00 S ATOM 1247 CE MET A 78 -0.817 -9.118 0.733 1.00 0.00 C ATOM 0 H MET A 78 -3.292 -12.623 -3.077 1.00 0.00 H new ATOM 0 HA MET A 78 -1.860 -13.796 -0.772 1.00 0.00 H new ATOM 0 HB2 MET A 78 -1.292 -11.481 -1.141 1.00 0.00 H new ATOM 0 HB3 MET A 78 -2.971 -11.034 -1.367 1.00 0.00 H new ATOM 0 HG2 MET A 78 -3.308 -11.865 1.079 1.00 0.00 H new ATOM 0 HG3 MET A 78 -1.561 -11.790 1.197 1.00 0.00 H new ATOM 0 HE1 MET A 78 -0.533 -8.370 1.473 1.00 0.00 H new ATOM 0 HE2 MET A 78 -0.170 -9.990 0.831 1.00 0.00 H new ATOM 0 HE3 MET A 78 -0.710 -8.698 -0.267 1.00 0.00 H new ATOM 1257 N GLY A 79 -3.958 -14.684 0.195 1.00 0.00 N ATOM 1258 CA GLY A 79 -5.156 -15.154 0.866 1.00 0.00 C ATOM 1259 C GLY A 79 -6.219 -15.624 -0.108 1.00 0.00 C ATOM 1260 O GLY A 79 -6.133 -16.728 -0.646 1.00 0.00 O ATOM 0 H GLY A 79 -3.145 -15.292 0.294 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -4.895 -15.972 1.538 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -5.562 -14.352 1.483 1.00 0.00 H new ATOM 1264 N HIS A 80 -7.226 -14.786 -0.333 1.00 0.00 N ATOM 1265 CA HIS A 80 -8.311 -15.124 -1.247 1.00 0.00 C ATOM 1266 C HIS A 80 -8.437 -14.077 -2.350 1.00 0.00 C ATOM 1267 O HIS A 80 -9.454 -14.008 -3.041 1.00 0.00 O ATOM 1268 CB HIS A 80 -9.631 -15.239 -0.485 1.00 0.00 C ATOM 1269 CG HIS A 80 -10.235 -13.916 -0.128 1.00 0.00 C ATOM 1270 ND1 HIS A 80 -9.659 -12.763 0.286 1.00 0.00 N flip ATOM 1271 CD2 HIS A 80 -11.591 -13.669 -0.177 1.00 0.00 C flip ATOM 1272 CE1 HIS A 80 -10.667 -11.850 0.477 1.00 0.00 C flip ATOM 1273 NE2 HIS A 80 -11.823 -12.422 0.190 1.00 0.00 N flip ATOM 0 H HIS A 80 -7.313 -13.869 0.105 1.00 0.00 H new ATOM 0 HA HIS A 80 -8.080 -16.085 -1.706 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -10.342 -15.802 -1.090 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -9.465 -15.811 0.428 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -12.346 -14.384 -0.470 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -10.536 -10.830 0.808 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -12.739 -11.976 0.243 1.00 0.00 H new ATOM 1282 N ARG A 81 -7.398 -13.264 -2.510 1.00 0.00 N ATOM 1283 CA ARG A 81 -7.393 -12.220 -3.527 1.00 0.00 C ATOM 1284 C ARG A 81 -6.051 -12.172 -4.250 1.00 0.00 C ATOM 1285 O ARG A 81 -5.089 -12.823 -3.841 1.00 0.00 O ATOM 1286 CB ARG A 81 -7.694 -10.860 -2.895 1.00 0.00 C ATOM 1287 CG ARG A 81 -9.124 -10.722 -2.398 1.00 0.00 C ATOM 1288 CD ARG A 81 -9.531 -9.262 -2.273 1.00 0.00 C ATOM 1289 NE ARG A 81 -10.981 -9.104 -2.195 1.00 0.00 N ATOM 1290 CZ ARG A 81 -11.613 -7.970 -2.478 1.00 0.00 C ATOM 1291 NH1 ARG A 81 -10.926 -6.901 -2.857 1.00 0.00 N ATOM 1292 NH2 ARG A 81 -12.935 -7.904 -2.384 1.00 0.00 N ATOM 0 H ARG A 81 -6.548 -13.309 -1.948 1.00 0.00 H new ATOM 0 HA ARG A 81 -8.170 -12.454 -4.255 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -7.011 -10.697 -2.061 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -7.496 -10.077 -3.627 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -9.800 -11.232 -3.084 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -9.223 -11.213 -1.430 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -9.071 -8.832 -1.383 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -9.151 -8.705 -3.129 1.00 0.00 H new ATOM 0 HE ARG A 81 -11.539 -9.908 -1.908 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -9.910 -6.948 -2.932 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -11.414 -6.032 -3.074 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -13.467 -8.724 -2.094 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -13.419 -7.033 -2.602 1.00 0.00 H new ATOM 1306 N TYR A 82 -5.992 -11.396 -5.327 1.00 0.00 N ATOM 1307 CA TYR A 82 -4.769 -11.265 -6.109 1.00 0.00 C ATOM 1308 C TYR A 82 -4.031 -9.977 -5.754 1.00 0.00 C ATOM 1309 O TYR A 82 -4.648 -8.975 -5.392 1.00 0.00 O ATOM 1310 CB TYR A 82 -5.089 -11.286 -7.604 1.00 0.00 C ATOM 1311 CG TYR A 82 -5.039 -12.669 -8.215 1.00 0.00 C ATOM 1312 CD1 TYR A 82 -5.986 -13.630 -7.885 1.00 0.00 C ATOM 1313 CD2 TYR A 82 -4.044 -13.013 -9.122 1.00 0.00 C ATOM 1314 CE1 TYR A 82 -5.944 -14.895 -8.439 1.00 0.00 C ATOM 1315 CE2 TYR A 82 -3.995 -14.275 -9.682 1.00 0.00 C ATOM 1316 CZ TYR A 82 -4.946 -15.212 -9.338 1.00 0.00 C ATOM 1317 OH TYR A 82 -4.901 -16.470 -9.893 1.00 0.00 O ATOM 0 H TYR A 82 -6.778 -10.848 -5.678 1.00 0.00 H new ATOM 0 HA TYR A 82 -4.124 -12.111 -5.871 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -6.082 -10.865 -7.760 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -4.383 -10.641 -8.127 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -6.769 -13.384 -7.183 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -3.297 -12.282 -9.394 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -6.687 -15.631 -8.170 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -3.215 -14.526 -10.386 1.00 0.00 H new ATOM 0 HH TYR A 82 -4.139 -16.530 -10.506 1.00 0.00 H new ATOM 1327 N ILE A 83 -2.707 -10.013 -5.861 1.00 0.00 N ATOM 1328 CA ILE A 83 -1.885 -8.849 -5.554 1.00 0.00 C ATOM 1329 C ILE A 83 -0.994 -8.478 -6.734 1.00 0.00 C ATOM 1330 O ILE A 83 -0.394 -9.346 -7.368 1.00 0.00 O ATOM 1331 CB ILE A 83 -1.002 -9.095 -4.316 1.00 0.00 C ATOM 1332 CG1 ILE A 83 -1.824 -9.734 -3.195 1.00 0.00 C ATOM 1333 CG2 ILE A 83 -0.377 -7.791 -3.844 1.00 0.00 C ATOM 1334 CD1 ILE A 83 -3.011 -8.900 -2.765 1.00 0.00 C ATOM 0 H ILE A 83 -2.181 -10.835 -6.158 1.00 0.00 H new ATOM 0 HA ILE A 83 -2.569 -8.026 -5.346 1.00 0.00 H new ATOM 0 HB ILE A 83 -0.201 -9.781 -4.590 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -2.177 -10.711 -3.526 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -1.178 -9.904 -2.333 1.00 0.00 H new ATOM 0 HG21 ILE A 83 0.244 -7.981 -2.969 1.00 0.00 H new ATOM 0 HG22 ILE A 83 0.238 -7.373 -4.641 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -1.164 -7.083 -3.584 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -3.547 -9.414 -1.968 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -2.664 -7.932 -2.403 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -3.678 -8.752 -3.614 1.00 0.00 H new ATOM 1346 N GLU A 84 -0.911 -7.183 -7.023 1.00 0.00 N ATOM 1347 CA GLU A 84 -0.091 -6.698 -8.127 1.00 0.00 C ATOM 1348 C GLU A 84 1.012 -5.773 -7.620 1.00 0.00 C ATOM 1349 O GLU A 84 0.741 -4.767 -6.964 1.00 0.00 O ATOM 1350 CB GLU A 84 -0.959 -5.963 -9.150 1.00 0.00 C ATOM 1351 CG GLU A 84 -1.946 -6.865 -9.871 1.00 0.00 C ATOM 1352 CD GLU A 84 -2.874 -6.097 -10.792 1.00 0.00 C ATOM 1353 OE1 GLU A 84 -2.377 -5.499 -11.770 1.00 0.00 O ATOM 1354 OE2 GLU A 84 -4.096 -6.092 -10.536 1.00 0.00 O ATOM 0 H GLU A 84 -1.401 -6.451 -6.508 1.00 0.00 H new ATOM 0 HA GLU A 84 0.374 -7.559 -8.607 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -1.508 -5.169 -8.644 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -0.312 -5.485 -9.886 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -1.397 -7.607 -10.451 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -2.539 -7.409 -9.136 1.00 0.00 H new ATOM 1361 N VAL A 85 2.257 -6.121 -7.929 1.00 0.00 N ATOM 1362 CA VAL A 85 3.401 -5.323 -7.506 1.00 0.00 C ATOM 1363 C VAL A 85 3.732 -4.248 -8.536 1.00 0.00 C ATOM 1364 O VAL A 85 3.640 -4.479 -9.742 1.00 0.00 O ATOM 1365 CB VAL A 85 4.646 -6.201 -7.280 1.00 0.00 C ATOM 1366 CG1 VAL A 85 5.826 -5.351 -6.835 1.00 0.00 C ATOM 1367 CG2 VAL A 85 4.349 -7.292 -6.261 1.00 0.00 C ATOM 0 H VAL A 85 2.499 -6.951 -8.471 1.00 0.00 H new ATOM 0 HA VAL A 85 3.124 -4.848 -6.565 1.00 0.00 H new ATOM 0 HB VAL A 85 4.909 -6.678 -8.224 1.00 0.00 H new ATOM 0 HG11 VAL A 85 6.696 -5.989 -6.680 1.00 0.00 H new ATOM 0 HG12 VAL A 85 6.051 -4.610 -7.602 1.00 0.00 H new ATOM 0 HG13 VAL A 85 5.578 -4.844 -5.903 1.00 0.00 H new ATOM 0 HG21 VAL A 85 5.239 -7.904 -6.113 1.00 0.00 H new ATOM 0 HG22 VAL A 85 4.060 -6.836 -5.314 1.00 0.00 H new ATOM 0 HG23 VAL A 85 3.535 -7.919 -6.626 1.00 0.00 H new ATOM 1377 N PHE A 86 4.117 -3.072 -8.052 1.00 0.00 N ATOM 1378 CA PHE A 86 4.461 -1.960 -8.930 1.00 0.00 C ATOM 1379 C PHE A 86 5.714 -1.243 -8.435 1.00 0.00 C ATOM 1380 O PHE A 86 5.796 -0.844 -7.273 1.00 0.00 O ATOM 1381 CB PHE A 86 3.296 -0.972 -9.019 1.00 0.00 C ATOM 1382 CG PHE A 86 2.134 -1.486 -9.821 1.00 0.00 C ATOM 1383 CD1 PHE A 86 2.309 -1.899 -11.132 1.00 0.00 C ATOM 1384 CD2 PHE A 86 0.868 -1.556 -9.263 1.00 0.00 C ATOM 1385 CE1 PHE A 86 1.242 -2.372 -11.872 1.00 0.00 C ATOM 1386 CE2 PHE A 86 -0.203 -2.029 -9.998 1.00 0.00 C ATOM 1387 CZ PHE A 86 -0.016 -2.437 -11.305 1.00 0.00 C ATOM 0 H PHE A 86 4.199 -2.864 -7.057 1.00 0.00 H new ATOM 0 HA PHE A 86 4.662 -2.363 -9.922 1.00 0.00 H new ATOM 0 HB2 PHE A 86 2.955 -0.733 -8.012 1.00 0.00 H new ATOM 0 HB3 PHE A 86 3.651 -0.043 -9.464 1.00 0.00 H new ATOM 0 HD1 PHE A 86 3.290 -1.851 -11.581 1.00 0.00 H new ATOM 0 HD2 PHE A 86 0.716 -1.237 -8.242 1.00 0.00 H new ATOM 0 HE1 PHE A 86 1.392 -2.691 -12.893 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -1.185 -2.080 -9.551 1.00 0.00 H new ATOM 0 HZ PHE A 86 -0.851 -2.806 -11.882 1.00 0.00 H new ATOM 1397 N LYS A 87 6.688 -1.083 -9.324 1.00 0.00 N ATOM 1398 CA LYS A 87 7.937 -0.414 -8.980 1.00 0.00 C ATOM 1399 C LYS A 87 7.718 1.084 -8.793 1.00 0.00 C ATOM 1400 O LYS A 87 7.374 1.793 -9.738 1.00 0.00 O ATOM 1401 CB LYS A 87 8.985 -0.655 -10.068 1.00 0.00 C ATOM 1402 CG LYS A 87 10.416 -0.581 -9.562 1.00 0.00 C ATOM 1403 CD LYS A 87 10.826 0.850 -9.259 1.00 0.00 C ATOM 1404 CE LYS A 87 12.333 0.974 -9.091 1.00 0.00 C ATOM 1405 NZ LYS A 87 12.741 2.366 -8.754 1.00 0.00 N ATOM 0 H LYS A 87 6.636 -1.408 -10.289 1.00 0.00 H new ATOM 0 HA LYS A 87 8.296 -0.831 -8.039 1.00 0.00 H new ATOM 0 HB2 LYS A 87 8.816 -1.636 -10.513 1.00 0.00 H new ATOM 0 HB3 LYS A 87 8.850 0.082 -10.860 1.00 0.00 H new ATOM 0 HG2 LYS A 87 10.517 -1.188 -8.662 1.00 0.00 H new ATOM 0 HG3 LYS A 87 11.089 -1.003 -10.308 1.00 0.00 H new ATOM 0 HD2 LYS A 87 10.494 1.503 -10.066 1.00 0.00 H new ATOM 0 HD3 LYS A 87 10.328 1.188 -8.350 1.00 0.00 H new ATOM 0 HE2 LYS A 87 12.668 0.297 -8.305 1.00 0.00 H new ATOM 0 HE3 LYS A 87 12.828 0.663 -10.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 13.775 2.409 -8.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 12.444 3.009 -9.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 12.289 2.654 -7.863 1.00 0.00 H new ATOM 1419 N SER A 88 7.922 1.559 -7.568 1.00 0.00 N ATOM 1420 CA SER A 88 7.744 2.973 -7.258 1.00 0.00 C ATOM 1421 C SER A 88 8.834 3.461 -6.308 1.00 0.00 C ATOM 1422 O SER A 88 9.518 2.663 -5.666 1.00 0.00 O ATOM 1423 CB SER A 88 6.367 3.211 -6.637 1.00 0.00 C ATOM 1424 OG SER A 88 5.887 4.509 -6.944 1.00 0.00 O ATOM 0 H SER A 88 8.210 0.986 -6.775 1.00 0.00 H new ATOM 0 HA SER A 88 7.817 3.536 -8.188 1.00 0.00 H new ATOM 0 HB2 SER A 88 5.664 2.463 -7.005 1.00 0.00 H new ATOM 0 HB3 SER A 88 6.426 3.088 -5.556 1.00 0.00 H new ATOM 0 HG SER A 88 4.947 4.582 -6.677 1.00 0.00 H new ATOM 1430 N HIS A 89 8.990 4.779 -6.224 1.00 0.00 N ATOM 1431 CA HIS A 89 9.996 5.375 -5.352 1.00 0.00 C ATOM 1432 C HIS A 89 9.365 5.875 -4.056 1.00 0.00 C ATOM 1433 O HIS A 89 8.169 5.695 -3.828 1.00 0.00 O ATOM 1434 CB HIS A 89 10.702 6.528 -6.067 1.00 0.00 C ATOM 1435 CG HIS A 89 9.799 7.319 -6.963 1.00 0.00 C ATOM 1436 ND1 HIS A 89 9.166 6.975 -8.109 1.00 0.00 N flip ATOM 1437 CD2 HIS A 89 9.460 8.633 -6.719 1.00 0.00 C flip ATOM 1438 CE1 HIS A 89 8.462 8.076 -8.531 1.00 0.00 C flip ATOM 1439 NE2 HIS A 89 8.656 9.062 -7.675 1.00 0.00 N flip ATOM 0 H HIS A 89 8.433 5.454 -6.749 1.00 0.00 H new ATOM 0 HA HIS A 89 10.729 4.607 -5.106 1.00 0.00 H new ATOM 0 HB2 HIS A 89 11.137 7.195 -5.322 1.00 0.00 H new ATOM 0 HB3 HIS A 89 11.527 6.128 -6.657 1.00 0.00 H new ATOM 0 HD2 HIS A 89 9.799 9.220 -5.878 1.00 0.00 H new ATOM 0 HE1 HIS A 89 7.849 8.127 -9.419 1.00 0.00 H new ATOM 0 HE2 HIS A 89 8.253 9.997 -7.741 1.00 0.00 H new ATOM 1448 N ARG A 90 10.177 6.501 -3.211 1.00 0.00 N ATOM 1449 CA ARG A 90 9.698 7.024 -1.937 1.00 0.00 C ATOM 1450 C ARG A 90 8.947 8.337 -2.137 1.00 0.00 C ATOM 1451 O ARG A 90 7.775 8.456 -1.778 1.00 0.00 O ATOM 1452 CB ARG A 90 10.869 7.236 -0.976 1.00 0.00 C ATOM 1453 CG ARG A 90 10.504 8.037 0.263 1.00 0.00 C ATOM 1454 CD ARG A 90 9.448 7.325 1.095 1.00 0.00 C ATOM 1455 NE ARG A 90 9.367 7.862 2.451 1.00 0.00 N ATOM 1456 CZ ARG A 90 8.629 8.916 2.781 1.00 0.00 C ATOM 1457 NH1 ARG A 90 7.913 9.544 1.858 1.00 0.00 N ATOM 1458 NH2 ARG A 90 8.607 9.345 4.036 1.00 0.00 N ATOM 0 H ARG A 90 11.170 6.658 -3.385 1.00 0.00 H new ATOM 0 HA ARG A 90 9.012 6.294 -1.508 1.00 0.00 H new ATOM 0 HB2 ARG A 90 11.256 6.264 -0.669 1.00 0.00 H new ATOM 0 HB3 ARG A 90 11.674 7.747 -1.505 1.00 0.00 H new ATOM 0 HG2 ARG A 90 11.396 8.201 0.868 1.00 0.00 H new ATOM 0 HG3 ARG A 90 10.135 9.019 -0.033 1.00 0.00 H new ATOM 0 HD2 ARG A 90 8.477 7.421 0.608 1.00 0.00 H new ATOM 0 HD3 ARG A 90 9.678 6.261 1.140 1.00 0.00 H new ATOM 0 HE ARG A 90 9.907 7.403 3.185 1.00 0.00 H new ATOM 0 HH11 ARG A 90 7.928 9.218 0.892 1.00 0.00 H new ATOM 0 HH12 ARG A 90 7.347 10.353 2.115 1.00 0.00 H new ATOM 0 HH21 ARG A 90 9.157 8.865 4.749 1.00 0.00 H new ATOM 0 HH22 ARG A 90 8.040 10.154 4.288 1.00 0.00 H new ATOM 1472 N THR A 91 9.630 9.323 -2.713 1.00 0.00 N ATOM 1473 CA THR A 91 9.028 10.627 -2.959 1.00 0.00 C ATOM 1474 C THR A 91 7.573 10.489 -3.391 1.00 0.00 C ATOM 1475 O THR A 91 6.693 11.169 -2.865 1.00 0.00 O ATOM 1476 CB THR A 91 9.801 11.407 -4.039 1.00 0.00 C ATOM 1477 OG1 THR A 91 11.149 11.634 -3.609 1.00 0.00 O ATOM 1478 CG2 THR A 91 9.127 12.739 -4.331 1.00 0.00 C ATOM 0 H THR A 91 10.600 9.242 -3.017 1.00 0.00 H new ATOM 0 HA THR A 91 9.074 11.178 -2.020 1.00 0.00 H new ATOM 0 HB THR A 91 9.806 10.812 -4.952 1.00 0.00 H new ATOM 0 HG1 THR A 91 11.634 12.129 -4.302 1.00 0.00 H new ATOM 0 HG21 THR A 91 9.691 13.272 -5.097 1.00 0.00 H new ATOM 0 HG22 THR A 91 8.111 12.563 -4.685 1.00 0.00 H new ATOM 0 HG23 THR A 91 9.095 13.338 -3.421 1.00 0.00 H new ATOM 1486 N GLU A 92 7.328 9.604 -4.353 1.00 0.00 N ATOM 1487 CA GLU A 92 5.978 9.378 -4.855 1.00 0.00 C ATOM 1488 C GLU A 92 5.050 8.916 -3.735 1.00 0.00 C ATOM 1489 O GLU A 92 3.960 9.457 -3.555 1.00 0.00 O ATOM 1490 CB GLU A 92 5.995 8.339 -5.978 1.00 0.00 C ATOM 1491 CG GLU A 92 4.612 7.869 -6.394 1.00 0.00 C ATOM 1492 CD GLU A 92 4.021 8.710 -7.510 1.00 0.00 C ATOM 1493 OE1 GLU A 92 4.798 9.370 -8.230 1.00 0.00 O ATOM 1494 OE2 GLU A 92 2.781 8.706 -7.662 1.00 0.00 O ATOM 0 H GLU A 92 8.046 9.033 -4.799 1.00 0.00 H new ATOM 0 HA GLU A 92 5.602 10.323 -5.248 1.00 0.00 H new ATOM 0 HB2 GLU A 92 6.502 8.762 -6.845 1.00 0.00 H new ATOM 0 HB3 GLU A 92 6.580 7.478 -5.656 1.00 0.00 H new ATOM 0 HG2 GLU A 92 4.668 6.830 -6.718 1.00 0.00 H new ATOM 0 HG3 GLU A 92 3.947 7.899 -5.531 1.00 0.00 H new ATOM 1501 N MET A 93 5.492 7.913 -2.984 1.00 0.00 N ATOM 1502 CA MET A 93 4.702 7.378 -1.881 1.00 0.00 C ATOM 1503 C MET A 93 4.416 8.460 -0.844 1.00 0.00 C ATOM 1504 O MET A 93 3.491 8.334 -0.041 1.00 0.00 O ATOM 1505 CB MET A 93 5.433 6.206 -1.223 1.00 0.00 C ATOM 1506 CG MET A 93 4.708 5.641 -0.013 1.00 0.00 C ATOM 1507 SD MET A 93 5.727 4.492 0.933 1.00 0.00 S ATOM 1508 CE MET A 93 6.987 5.598 1.564 1.00 0.00 C ATOM 0 H MET A 93 6.393 7.454 -3.119 1.00 0.00 H new ATOM 0 HA MET A 93 3.753 7.024 -2.284 1.00 0.00 H new ATOM 0 HB2 MET A 93 5.568 5.413 -1.959 1.00 0.00 H new ATOM 0 HB3 MET A 93 6.428 6.533 -0.921 1.00 0.00 H new ATOM 0 HG2 MET A 93 4.395 6.461 0.634 1.00 0.00 H new ATOM 0 HG3 MET A 93 3.802 5.131 -0.342 1.00 0.00 H new ATOM 0 HE1 MET A 93 7.951 5.340 1.125 1.00 0.00 H new ATOM 0 HE2 MET A 93 6.733 6.625 1.303 1.00 0.00 H new ATOM 0 HE3 MET A 93 7.045 5.503 2.648 1.00 0.00 H new ATOM 1518 N ASP A 94 5.214 9.522 -0.867 1.00 0.00 N ATOM 1519 CA ASP A 94 5.045 10.626 0.071 1.00 0.00 C ATOM 1520 C ASP A 94 3.809 11.450 -0.277 1.00 0.00 C ATOM 1521 O ASP A 94 2.988 11.751 0.589 1.00 0.00 O ATOM 1522 CB ASP A 94 6.286 11.519 0.069 1.00 0.00 C ATOM 1523 CG ASP A 94 6.468 12.260 1.379 1.00 0.00 C ATOM 1524 OD1 ASP A 94 5.971 11.768 2.414 1.00 0.00 O ATOM 1525 OD2 ASP A 94 7.108 13.332 1.369 1.00 0.00 O ATOM 0 H ASP A 94 5.984 9.642 -1.525 1.00 0.00 H new ATOM 0 HA ASP A 94 4.911 10.206 1.068 1.00 0.00 H new ATOM 0 HB2 ASP A 94 7.168 10.909 -0.126 1.00 0.00 H new ATOM 0 HB3 ASP A 94 6.210 12.240 -0.745 1.00 0.00 H new ATOM 1530 N TRP A 95 3.686 11.813 -1.549 1.00 0.00 N ATOM 1531 CA TRP A 95 2.550 12.604 -2.011 1.00 0.00 C ATOM 1532 C TRP A 95 1.274 11.770 -2.020 1.00 0.00 C ATOM 1533 O TRP A 95 0.240 12.195 -1.505 1.00 0.00 O ATOM 1534 CB TRP A 95 2.824 13.156 -3.411 1.00 0.00 C ATOM 1535 CG TRP A 95 2.269 12.298 -4.507 1.00 0.00 C ATOM 1536 CD1 TRP A 95 2.980 11.580 -5.425 1.00 0.00 C ATOM 1537 CD2 TRP A 95 0.886 12.071 -4.800 1.00 0.00 C ATOM 1538 NE1 TRP A 95 2.122 10.920 -6.272 1.00 0.00 N ATOM 1539 CE2 TRP A 95 0.832 11.204 -5.909 1.00 0.00 C ATOM 1540 CE3 TRP A 95 -0.312 12.514 -4.233 1.00 0.00 C ATOM 1541 CZ2 TRP A 95 -0.372 10.774 -6.460 1.00 0.00 C ATOM 1542 CZ3 TRP A 95 -1.507 12.087 -4.782 1.00 0.00 C ATOM 1543 CH2 TRP A 95 -1.530 11.224 -5.885 1.00 0.00 C ATOM 0 H TRP A 95 4.358 11.573 -2.278 1.00 0.00 H new ATOM 0 HA TRP A 95 2.412 13.436 -1.320 1.00 0.00 H new ATOM 0 HB2 TRP A 95 2.396 14.155 -3.490 1.00 0.00 H new ATOM 0 HB3 TRP A 95 3.900 13.258 -3.549 1.00 0.00 H new ATOM 0 HD1 TRP A 95 4.058 11.537 -5.478 1.00 0.00 H new ATOM 0 HE1 TRP A 95 2.401 10.316 -7.046 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -0.305 13.178 -3.381 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 -0.392 10.109 -7.311 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 -2.439 12.425 -4.353 1.00 0.00 H new ATOM 0 HH2 TRP A 95 -2.480 10.907 -6.290 1.00 0.00 H new ATOM 1554 N VAL A 96 1.353 10.581 -2.609 1.00 0.00 N ATOM 1555 CA VAL A 96 0.204 9.687 -2.684 1.00 0.00 C ATOM 1556 C VAL A 96 -0.450 9.517 -1.317 1.00 0.00 C ATOM 1557 O VAL A 96 -1.664 9.331 -1.216 1.00 0.00 O ATOM 1558 CB VAL A 96 0.605 8.301 -3.225 1.00 0.00 C ATOM 1559 CG1 VAL A 96 1.386 8.440 -4.522 1.00 0.00 C ATOM 1560 CG2 VAL A 96 1.412 7.537 -2.186 1.00 0.00 C ATOM 0 H VAL A 96 2.201 10.215 -3.041 1.00 0.00 H new ATOM 0 HA VAL A 96 -0.509 10.144 -3.370 1.00 0.00 H new ATOM 0 HB VAL A 96 -0.303 7.735 -3.435 1.00 0.00 H new ATOM 0 HG11 VAL A 96 1.661 7.451 -4.889 1.00 0.00 H new ATOM 0 HG12 VAL A 96 0.769 8.945 -5.266 1.00 0.00 H new ATOM 0 HG13 VAL A 96 2.289 9.024 -4.342 1.00 0.00 H new ATOM 0 HG21 VAL A 96 1.687 6.560 -2.585 1.00 0.00 H new ATOM 0 HG22 VAL A 96 2.315 8.097 -1.943 1.00 0.00 H new ATOM 0 HG23 VAL A 96 0.813 7.405 -1.285 1.00 0.00 H new ATOM 1570 N LEU A 97 0.361 9.582 -0.267 1.00 0.00 N ATOM 1571 CA LEU A 97 -0.139 9.436 1.096 1.00 0.00 C ATOM 1572 C LEU A 97 -0.759 10.739 1.591 1.00 0.00 C ATOM 1573 O LEU A 97 -1.944 10.789 1.920 1.00 0.00 O ATOM 1574 CB LEU A 97 0.993 9.008 2.032 1.00 0.00 C ATOM 1575 CG LEU A 97 1.466 7.561 1.895 1.00 0.00 C ATOM 1576 CD1 LEU A 97 2.746 7.340 2.686 1.00 0.00 C ATOM 1577 CD2 LEU A 97 0.380 6.599 2.355 1.00 0.00 C ATOM 0 H LEU A 97 1.367 9.735 -0.333 1.00 0.00 H new ATOM 0 HA LEU A 97 -0.911 8.666 1.094 1.00 0.00 H new ATOM 0 HB2 LEU A 97 1.846 9.665 1.863 1.00 0.00 H new ATOM 0 HB3 LEU A 97 0.667 9.167 3.060 1.00 0.00 H new ATOM 0 HG LEU A 97 1.675 7.366 0.843 1.00 0.00 H new ATOM 0 HD11 LEU A 97 3.067 6.304 2.576 1.00 0.00 H new ATOM 0 HD12 LEU A 97 3.525 8.003 2.310 1.00 0.00 H new ATOM 0 HD13 LEU A 97 2.564 7.554 3.739 1.00 0.00 H new ATOM 0 HD21 LEU A 97 0.734 5.573 2.250 1.00 0.00 H new ATOM 0 HD22 LEU A 97 0.139 6.795 3.400 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -0.512 6.739 1.745 1.00 0.00 H new ATOM 1589 N LYS A 98 0.050 11.792 1.639 1.00 0.00 N ATOM 1590 CA LYS A 98 -0.418 13.097 2.090 1.00 0.00 C ATOM 1591 C LYS A 98 -1.765 13.439 1.462 1.00 0.00 C ATOM 1592 O LYS A 98 -2.556 14.190 2.034 1.00 0.00 O ATOM 1593 CB LYS A 98 0.608 14.178 1.742 1.00 0.00 C ATOM 1594 CG LYS A 98 1.973 13.944 2.366 1.00 0.00 C ATOM 1595 CD LYS A 98 3.051 14.754 1.666 1.00 0.00 C ATOM 1596 CE LYS A 98 3.234 16.117 2.315 1.00 0.00 C ATOM 1597 NZ LYS A 98 4.253 16.083 3.400 1.00 0.00 N ATOM 0 H LYS A 98 1.034 11.767 1.371 1.00 0.00 H new ATOM 0 HA LYS A 98 -0.541 13.057 3.172 1.00 0.00 H new ATOM 0 HB2 LYS A 98 0.717 14.229 0.659 1.00 0.00 H new ATOM 0 HB3 LYS A 98 0.229 15.146 2.070 1.00 0.00 H new ATOM 0 HG2 LYS A 98 1.942 14.213 3.422 1.00 0.00 H new ATOM 0 HG3 LYS A 98 2.221 12.884 2.314 1.00 0.00 H new ATOM 0 HD2 LYS A 98 3.994 14.207 1.693 1.00 0.00 H new ATOM 0 HD3 LYS A 98 2.787 14.882 0.616 1.00 0.00 H new ATOM 0 HE2 LYS A 98 3.534 16.842 1.558 1.00 0.00 H new ATOM 0 HE3 LYS A 98 2.281 16.456 2.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 4.348 17.031 3.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 3.955 15.410 4.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 5.168 15.784 3.007 1.00 0.00 H new ATOM 1611 N HIS A 99 -2.022 12.882 0.282 1.00 0.00 N ATOM 1612 CA HIS A 99 -3.275 13.126 -0.423 1.00 0.00 C ATOM 1613 C HIS A 99 -4.029 11.821 -0.659 1.00 0.00 C ATOM 1614 O HIS A 99 -4.478 11.544 -1.771 1.00 0.00 O ATOM 1615 CB HIS A 99 -3.007 13.822 -1.757 1.00 0.00 C ATOM 1616 CG HIS A 99 -1.955 14.886 -1.677 1.00 0.00 C ATOM 1617 ND1 HIS A 99 -1.690 15.597 -0.526 1.00 0.00 N ATOM 1618 CD2 HIS A 99 -1.098 15.356 -2.614 1.00 0.00 C ATOM 1619 CE1 HIS A 99 -0.717 16.460 -0.759 1.00 0.00 C ATOM 1620 NE2 HIS A 99 -0.340 16.334 -2.018 1.00 0.00 N ATOM 0 H HIS A 99 -1.379 12.259 -0.206 1.00 0.00 H new ATOM 0 HA HIS A 99 -3.892 13.774 0.199 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -2.703 13.076 -2.492 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -3.934 14.266 -2.119 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -1.024 15.024 -3.639 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -0.301 17.151 -0.041 1.00 0.00 H new ATOM 0 HE2 HIS A 99 0.395 16.875 -2.474 1.00 0.00 H new ATOM 1629 N SER A 100 -4.164 11.022 0.395 1.00 0.00 N ATOM 1630 CA SER A 100 -4.859 9.744 0.301 1.00 0.00 C ATOM 1631 C SER A 100 -5.831 9.567 1.464 1.00 0.00 C ATOM 1632 O SER A 100 -7.040 9.460 1.267 1.00 0.00 O ATOM 1633 CB SER A 100 -3.853 8.591 0.283 1.00 0.00 C ATOM 1634 OG SER A 100 -4.402 7.425 0.872 1.00 0.00 O ATOM 0 H SER A 100 -3.801 11.237 1.324 1.00 0.00 H new ATOM 0 HA SER A 100 -5.427 9.736 -0.629 1.00 0.00 H new ATOM 0 HB2 SER A 100 -3.557 8.378 -0.744 1.00 0.00 H new ATOM 0 HB3 SER A 100 -2.951 8.883 0.820 1.00 0.00 H new ATOM 0 HG SER A 100 -5.204 7.155 0.377 1.00 0.00 H new ATOM 1640 N GLY A 101 -5.291 9.538 2.679 1.00 0.00 N ATOM 1641 CA GLY A 101 -6.123 9.374 3.857 1.00 0.00 C ATOM 1642 C GLY A 101 -7.351 10.262 3.827 1.00 0.00 C ATOM 1643 O GLY A 101 -7.440 11.208 3.044 1.00 0.00 O ATOM 0 H GLY A 101 -4.293 9.625 2.868 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -6.434 8.332 3.937 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -5.536 9.601 4.747 1.00 0.00 H new ATOM 1647 N PRO A 102 -8.326 9.959 4.696 1.00 0.00 N ATOM 1648 CA PRO A 102 -9.573 10.724 4.786 1.00 0.00 C ATOM 1649 C PRO A 102 -9.357 12.119 5.364 1.00 0.00 C ATOM 1650 O PRO A 102 -10.060 13.064 5.009 1.00 0.00 O ATOM 1651 CB PRO A 102 -10.439 9.883 5.727 1.00 0.00 C ATOM 1652 CG PRO A 102 -9.466 9.116 6.553 1.00 0.00 C ATOM 1653 CD PRO A 102 -8.287 8.845 5.659 1.00 0.00 C ATOM 0 HA PRO A 102 -10.021 10.889 3.806 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -11.075 10.513 6.348 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -11.097 9.216 5.170 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -9.166 9.686 7.432 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -9.906 8.185 6.911 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -7.352 8.831 6.220 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -8.374 7.880 5.160 1.00 0.00 H new ATOM 1661 N ASN A 103 -8.380 12.239 6.257 1.00 0.00 N ATOM 1662 CA ASN A 103 -8.072 13.519 6.885 1.00 0.00 C ATOM 1663 C ASN A 103 -6.572 13.660 7.125 1.00 0.00 C ATOM 1664 O ASN A 103 -5.895 12.693 7.475 1.00 0.00 O ATOM 1665 CB ASN A 103 -8.827 13.656 8.209 1.00 0.00 C ATOM 1666 CG ASN A 103 -8.163 14.639 9.154 1.00 0.00 C ATOM 1667 OD1 ASN A 103 -7.755 15.728 8.749 1.00 0.00 O ATOM 1668 ND2 ASN A 103 -8.051 14.258 10.421 1.00 0.00 N ATOM 0 H ASN A 103 -7.788 11.466 6.562 1.00 0.00 H new ATOM 0 HA ASN A 103 -8.390 14.313 6.209 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -9.848 13.981 8.010 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -8.891 12.680 8.690 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -7.613 14.877 11.103 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -8.403 13.346 10.712 1.00 0.00 H new ATOM 1675 N SER A 104 -6.059 14.871 6.933 1.00 0.00 N ATOM 1676 CA SER A 104 -4.639 15.139 7.126 1.00 0.00 C ATOM 1677 C SER A 104 -4.431 16.382 7.985 1.00 0.00 C ATOM 1678 O SER A 104 -4.535 17.509 7.501 1.00 0.00 O ATOM 1679 CB SER A 104 -3.944 15.317 5.774 1.00 0.00 C ATOM 1680 OG SER A 104 -2.535 15.265 5.914 1.00 0.00 O ATOM 0 H SER A 104 -6.606 15.682 6.644 1.00 0.00 H new ATOM 0 HA SER A 104 -4.201 14.285 7.643 1.00 0.00 H new ATOM 0 HB2 SER A 104 -4.273 14.538 5.087 1.00 0.00 H new ATOM 0 HB3 SER A 104 -4.234 16.272 5.335 1.00 0.00 H new ATOM 0 HG SER A 104 -2.115 15.379 5.036 1.00 0.00 H new ATOM 1686 N ALA A 105 -4.138 16.168 9.263 1.00 0.00 N ATOM 1687 CA ALA A 105 -3.914 17.270 10.191 1.00 0.00 C ATOM 1688 C ALA A 105 -2.665 18.059 9.814 1.00 0.00 C ATOM 1689 O ALA A 105 -2.738 19.252 9.520 1.00 0.00 O ATOM 1690 CB ALA A 105 -3.801 16.747 11.615 1.00 0.00 C ATOM 0 H ALA A 105 -4.050 15.241 9.680 1.00 0.00 H new ATOM 0 HA ALA A 105 -4.769 17.943 10.130 1.00 0.00 H new ATOM 0 HB1 ALA A 105 -3.634 17.581 12.297 1.00 0.00 H new ATOM 0 HB2 ALA A 105 -4.723 16.234 11.888 1.00 0.00 H new ATOM 0 HB3 ALA A 105 -2.965 16.051 11.682 1.00 0.00 H new ATOM 1696 N SER A 106 -1.519 17.386 9.826 1.00 0.00 N ATOM 1697 CA SER A 106 -0.253 18.026 9.490 1.00 0.00 C ATOM 1698 C SER A 106 -0.341 18.729 8.139 1.00 0.00 C ATOM 1699 O SER A 106 -1.100 18.318 7.261 1.00 0.00 O ATOM 1700 CB SER A 106 0.875 16.992 9.467 1.00 0.00 C ATOM 1701 OG SER A 106 2.090 17.572 9.024 1.00 0.00 O ATOM 0 H SER A 106 -1.441 16.397 10.065 1.00 0.00 H new ATOM 0 HA SER A 106 -0.037 18.772 10.255 1.00 0.00 H new ATOM 0 HB2 SER A 106 1.010 16.575 10.465 1.00 0.00 H new ATOM 0 HB3 SER A 106 0.602 16.166 8.810 1.00 0.00 H new ATOM 0 HG SER A 106 2.795 16.891 9.020 1.00 0.00 H new ATOM 1707 N GLY A 107 0.442 19.792 7.979 1.00 0.00 N ATOM 1708 CA GLY A 107 0.438 20.536 6.733 1.00 0.00 C ATOM 1709 C GLY A 107 1.809 21.072 6.374 1.00 0.00 C ATOM 1710 O GLY A 107 2.588 20.425 5.674 1.00 0.00 O ATOM 0 H GLY A 107 1.079 20.151 8.690 1.00 0.00 H new ATOM 0 HA2 GLY A 107 0.081 19.891 5.930 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -0.264 21.366 6.811 1.00 0.00 H new ATOM 1714 N PRO A 108 2.120 22.284 6.858 1.00 0.00 N ATOM 1715 CA PRO A 108 3.407 22.934 6.595 1.00 0.00 C ATOM 1716 C PRO A 108 4.563 22.243 7.311 1.00 0.00 C ATOM 1717 O PRO A 108 4.655 22.278 8.538 1.00 0.00 O ATOM 1718 CB PRO A 108 3.208 24.349 7.144 1.00 0.00 C ATOM 1719 CG PRO A 108 2.149 24.207 8.182 1.00 0.00 C ATOM 1720 CD PRO A 108 1.240 23.111 7.699 1.00 0.00 C ATOM 0 HA PRO A 108 3.670 22.905 5.538 1.00 0.00 H new ATOM 0 HB2 PRO A 108 4.131 24.741 7.571 1.00 0.00 H new ATOM 0 HB3 PRO A 108 2.902 25.039 6.358 1.00 0.00 H new ATOM 0 HG2 PRO A 108 2.583 23.956 9.150 1.00 0.00 H new ATOM 0 HG3 PRO A 108 1.601 25.140 8.311 1.00 0.00 H new ATOM 0 HD2 PRO A 108 0.824 22.539 8.529 1.00 0.00 H new ATOM 0 HD3 PRO A 108 0.398 23.508 7.131 1.00 0.00 H new ATOM 1728 N SER A 109 5.442 21.616 6.537 1.00 0.00 N ATOM 1729 CA SER A 109 6.591 20.914 7.098 1.00 0.00 C ATOM 1730 C SER A 109 7.530 21.887 7.804 1.00 0.00 C ATOM 1731 O SER A 109 8.033 22.832 7.198 1.00 0.00 O ATOM 1732 CB SER A 109 7.346 20.166 5.998 1.00 0.00 C ATOM 1733 OG SER A 109 8.541 19.594 6.498 1.00 0.00 O ATOM 0 H SER A 109 5.381 21.579 5.519 1.00 0.00 H new ATOM 0 HA SER A 109 6.224 20.194 7.830 1.00 0.00 H new ATOM 0 HB2 SER A 109 6.710 19.383 5.584 1.00 0.00 H new ATOM 0 HB3 SER A 109 7.580 20.851 5.183 1.00 0.00 H new ATOM 0 HG SER A 109 9.004 19.120 5.776 1.00 0.00 H new ATOM 1739 N SER A 110 7.762 21.647 9.091 1.00 0.00 N ATOM 1740 CA SER A 110 8.638 22.503 9.883 1.00 0.00 C ATOM 1741 C SER A 110 10.079 22.006 9.826 1.00 0.00 C ATOM 1742 O SER A 110 10.370 20.868 10.190 1.00 0.00 O ATOM 1743 CB SER A 110 8.160 22.553 11.335 1.00 0.00 C ATOM 1744 OG SER A 110 6.977 23.323 11.457 1.00 0.00 O ATOM 0 H SER A 110 7.356 20.867 9.607 1.00 0.00 H new ATOM 0 HA SER A 110 8.602 23.508 9.462 1.00 0.00 H new ATOM 0 HB2 SER A 110 7.977 21.541 11.696 1.00 0.00 H new ATOM 0 HB3 SER A 110 8.942 22.980 11.964 1.00 0.00 H new ATOM 0 HG SER A 110 6.691 23.338 12.394 1.00 0.00 H new ATOM 1750 N GLY A 111 10.979 22.871 9.365 1.00 0.00 N ATOM 1751 CA GLY A 111 12.379 22.503 9.268 1.00 0.00 C ATOM 1752 C GLY A 111 12.718 21.857 7.939 1.00 0.00 C ATOM 1753 O GLY A 111 12.207 20.785 7.614 1.00 0.00 O ATOM 0 H GLY A 111 10.763 23.819 9.057 1.00 0.00 H new ATOM 0 HA2 GLY A 111 12.995 23.392 9.404 1.00 0.00 H new ATOM 0 HA3 GLY A 111 12.628 21.816 10.077 1.00 0.00 H new TER 1757 GLY A 111