USER MOD reduce.3.24.130724 H: found=0, std=0, add=768, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 766 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 29 GLN : amide:sc= 1.99 K(o=2.9,f=-9.4!) USER MOD Set 1.2: A 46 GLN : amide:sc= 0.872 K(o=2.9,f=0.35) USER MOD Set 2.1: A 43 SER OG : rot 180:sc= 0.269 USER MOD Set 2.2: A 44 GLN : amide:sc= 0.226 X(o=0.5,f=0.54) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0.318 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 HIS : no HD1:sc= -0.0905 X(o=-0.09,f=-0.38) USER MOD Single : A 11 SER OG : rot -69:sc= 0.628 USER MOD Single : A 12 THR OG1 : rot 75:sc= 1.21 USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ -172:sc= 1 (180deg=0.941) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc=-0.00673 K(o=-0.0067,f=-1) USER MOD Single : A 31 THR OG1 : rot 31:sc= 0.656 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= -0.052 X(o=-0.052,f=-0.057) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 HIS : no HE2:sc= 0.724 K(o=0.72,f=-2.8!) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 MET CE :methyl -167:sc= 0 (180deg=-0.262) USER MOD Single : A 55 THR OG1 : rot 78:sc= 0.00183 USER MOD Single : A 59 THR OG1 : rot 77:sc= 1.01 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= 0 K(o=0,f=-0.98) USER MOD Single : A 70 THR OG1 : rot 83:sc= 0.938 USER MOD Single : A 72 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 78 ASN : amide:sc= -0.0285 K(o=-0.028,f=-1.1) USER MOD Single : A 79 GLN : amide:sc= 0.802 K(o=0.8,f=-1.2) USER MOD Single : A 87 HIS : no HD1:sc= -0.0143 X(o=-0.014,f=-0.35) USER MOD Single : A 92 GLN : amide:sc= 0 K(o=0,f=-0.97) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 4 -0.088 0.381 0.916 1.00 0.00 N ATOM 2 CA THR A 4 1.347 0.363 0.662 1.00 0.00 C ATOM 3 C THR A 4 1.914 1.775 0.604 1.00 0.00 C ATOM 4 O THR A 4 1.200 2.728 0.290 1.00 0.00 O ATOM 5 CB THR A 4 1.680 -0.368 -0.652 1.00 0.00 C ATOM 6 OG1 THR A 4 1.118 0.353 -1.757 1.00 0.00 O ATOM 7 CG2 THR A 4 1.117 -1.780 -0.635 1.00 0.00 C ATOM 0 HA THR A 4 1.805 -0.175 1.492 1.00 0.00 H new ATOM 0 HB THR A 4 2.764 -0.422 -0.756 1.00 0.00 H new ATOM 0 HG1 THR A 4 1.331 -0.112 -2.593 1.00 0.00 H new ATOM 0 HG21 THR A 4 1.362 -2.281 -1.572 1.00 0.00 H new ATOM 0 HG22 THR A 4 1.550 -2.335 0.197 1.00 0.00 H new ATOM 0 HG23 THR A 4 0.034 -1.739 -0.519 1.00 0.00 H new ATOM 15 N PRO A 5 3.201 1.904 0.907 1.00 0.00 N ATOM 16 CA PRO A 5 3.887 3.187 0.809 1.00 0.00 C ATOM 17 C PRO A 5 3.945 3.672 -0.633 1.00 0.00 C ATOM 18 O PRO A 5 4.038 4.872 -0.892 1.00 0.00 O ATOM 19 CB PRO A 5 5.281 2.912 1.382 1.00 0.00 C ATOM 20 CG PRO A 5 5.478 1.447 1.187 1.00 0.00 C ATOM 21 CD PRO A 5 4.117 0.832 1.373 1.00 0.00 C ATOM 0 HA PRO A 5 3.375 3.982 1.352 1.00 0.00 H new ATOM 0 HB2 PRO A 5 6.046 3.489 0.862 1.00 0.00 H new ATOM 0 HB3 PRO A 5 5.339 3.184 2.436 1.00 0.00 H new ATOM 0 HG2 PRO A 5 5.874 1.233 0.194 1.00 0.00 H new ATOM 0 HG3 PRO A 5 6.191 1.047 1.908 1.00 0.00 H new ATOM 0 HD2 PRO A 5 4.002 -0.080 0.787 1.00 0.00 H new ATOM 0 HD3 PRO A 5 3.932 0.567 2.414 1.00 0.00 H new ATOM 29 N SER A 6 3.889 2.732 -1.570 1.00 0.00 N ATOM 30 CA SER A 6 3.850 3.066 -2.989 1.00 0.00 C ATOM 31 C SER A 6 2.544 3.759 -3.357 1.00 0.00 C ATOM 32 O SER A 6 2.544 4.786 -4.035 1.00 0.00 O ATOM 33 CB SER A 6 4.039 1.815 -3.826 1.00 0.00 C ATOM 34 OG SER A 6 3.984 2.088 -5.199 1.00 0.00 O ATOM 0 H SER A 6 3.870 1.732 -1.372 1.00 0.00 H new ATOM 0 HA SER A 6 4.666 3.758 -3.197 1.00 0.00 H new ATOM 0 HB2 SER A 6 5.000 1.360 -3.585 1.00 0.00 H new ATOM 0 HB3 SER A 6 3.268 1.088 -3.570 1.00 0.00 H new ATOM 0 HG SER A 6 4.112 1.257 -5.703 1.00 0.00 H new ATOM 40 N ASP A 7 1.431 3.189 -2.906 1.00 0.00 N ATOM 41 CA ASP A 7 0.118 3.775 -3.147 1.00 0.00 C ATOM 42 C ASP A 7 -0.041 5.093 -2.401 1.00 0.00 C ATOM 43 O ASP A 7 -0.696 6.016 -2.886 1.00 0.00 O ATOM 44 CB ASP A 7 -0.988 2.800 -2.737 1.00 0.00 C ATOM 45 CG ASP A 7 -1.178 1.627 -3.688 1.00 0.00 C ATOM 46 OD1 ASP A 7 -0.644 1.673 -4.771 1.00 0.00 O ATOM 47 OD2 ASP A 7 -1.721 0.632 -3.271 1.00 0.00 O ATOM 0 H ASP A 7 1.413 2.321 -2.371 1.00 0.00 H new ATOM 0 HA ASP A 7 0.033 3.976 -4.215 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -0.764 2.413 -1.743 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -1.928 3.347 -2.662 1.00 0.00 H new ATOM 52 N HIS A 8 0.560 5.175 -1.219 1.00 0.00 N ATOM 53 CA HIS A 8 0.553 6.407 -0.440 1.00 0.00 C ATOM 54 C HIS A 8 1.253 7.535 -1.187 1.00 0.00 C ATOM 55 O HIS A 8 0.758 8.661 -1.237 1.00 0.00 O ATOM 56 CB HIS A 8 1.220 6.190 0.923 1.00 0.00 C ATOM 57 CG HIS A 8 0.443 5.293 1.835 1.00 0.00 C ATOM 58 ND1 HIS A 8 1.008 4.683 2.937 1.00 0.00 N ATOM 59 CD2 HIS A 8 -0.852 4.900 1.811 1.00 0.00 C ATOM 60 CE1 HIS A 8 0.092 3.955 3.550 1.00 0.00 C ATOM 61 NE2 HIS A 8 -1.044 4.070 2.888 1.00 0.00 N ATOM 0 H HIS A 8 1.059 4.402 -0.779 1.00 0.00 H new ATOM 0 HA HIS A 8 -0.487 6.692 -0.283 1.00 0.00 H new ATOM 0 HB2 HIS A 8 2.212 5.766 0.769 1.00 0.00 H new ATOM 0 HB3 HIS A 8 1.358 7.156 1.408 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -1.595 5.186 1.081 1.00 0.00 H new ATOM 0 HE1 HIS A 8 0.246 3.366 4.442 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -1.923 3.616 3.136 1.00 0.00 H new ATOM 69 N LEU A 9 2.408 7.227 -1.767 1.00 0.00 N ATOM 70 CA LEU A 9 3.137 8.190 -2.584 1.00 0.00 C ATOM 71 C LEU A 9 2.375 8.516 -3.862 1.00 0.00 C ATOM 72 O LEU A 9 2.369 9.660 -4.317 1.00 0.00 O ATOM 73 CB LEU A 9 4.534 7.652 -2.917 1.00 0.00 C ATOM 74 CG LEU A 9 5.505 7.576 -1.733 1.00 0.00 C ATOM 75 CD1 LEU A 9 6.749 6.791 -2.126 1.00 0.00 C ATOM 76 CD2 LEU A 9 5.874 8.983 -1.286 1.00 0.00 C ATOM 0 H LEU A 9 2.860 6.316 -1.686 1.00 0.00 H new ATOM 0 HA LEU A 9 3.240 9.111 -2.011 1.00 0.00 H new ATOM 0 HB2 LEU A 9 4.429 6.655 -3.344 1.00 0.00 H new ATOM 0 HB3 LEU A 9 4.975 8.284 -3.688 1.00 0.00 H new ATOM 0 HG LEU A 9 5.024 7.059 -0.902 1.00 0.00 H new ATOM 0 HD11 LEU A 9 7.432 6.743 -1.278 1.00 0.00 H new ATOM 0 HD12 LEU A 9 6.464 5.781 -2.420 1.00 0.00 H new ATOM 0 HD13 LEU A 9 7.243 7.286 -2.962 1.00 0.00 H new ATOM 0 HD21 LEU A 9 6.564 8.928 -0.444 1.00 0.00 H new ATOM 0 HD22 LEU A 9 6.349 9.514 -2.111 1.00 0.00 H new ATOM 0 HD23 LEU A 9 4.973 9.516 -0.982 1.00 0.00 H new ATOM 88 N LEU A 10 1.733 7.505 -4.437 1.00 0.00 N ATOM 89 CA LEU A 10 0.959 7.684 -5.659 1.00 0.00 C ATOM 90 C LEU A 10 -0.060 8.806 -5.505 1.00 0.00 C ATOM 91 O LEU A 10 -0.068 9.761 -6.282 1.00 0.00 O ATOM 92 CB LEU A 10 0.258 6.375 -6.039 1.00 0.00 C ATOM 93 CG LEU A 10 -0.284 6.317 -7.473 1.00 0.00 C ATOM 94 CD1 LEU A 10 -0.719 4.896 -7.810 1.00 0.00 C ATOM 95 CD2 LEU A 10 -1.447 7.286 -7.618 1.00 0.00 C ATOM 0 H LEU A 10 1.734 6.551 -4.075 1.00 0.00 H new ATOM 0 HA LEU A 10 1.647 7.962 -6.458 1.00 0.00 H new ATOM 0 HB2 LEU A 10 0.959 5.552 -5.899 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -0.569 6.210 -5.348 1.00 0.00 H new ATOM 0 HG LEU A 10 0.502 6.607 -8.170 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -1.102 4.865 -8.830 1.00 0.00 H new ATOM 0 HD12 LEU A 10 0.135 4.224 -7.723 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -1.501 4.581 -7.119 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -1.831 7.244 -8.637 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -2.238 7.012 -6.920 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -1.106 8.298 -7.400 1.00 0.00 H new ATOM 107 N SER A 11 -0.920 8.685 -4.500 1.00 0.00 N ATOM 108 CA SER A 11 -1.956 9.680 -4.252 1.00 0.00 C ATOM 109 C SER A 11 -1.349 11.015 -3.837 1.00 0.00 C ATOM 110 O SER A 11 -1.707 12.063 -4.373 1.00 0.00 O ATOM 111 CB SER A 11 -2.915 9.182 -3.188 1.00 0.00 C ATOM 112 OG SER A 11 -3.948 10.096 -2.942 1.00 0.00 O ATOM 0 H SER A 11 -0.920 7.905 -3.842 1.00 0.00 H new ATOM 0 HA SER A 11 -2.506 9.836 -5.180 1.00 0.00 H new ATOM 0 HB2 SER A 11 -3.341 8.229 -3.502 1.00 0.00 H new ATOM 0 HB3 SER A 11 -2.367 8.997 -2.264 1.00 0.00 H new ATOM 0 HG SER A 11 -3.583 10.891 -2.500 1.00 0.00 H new ATOM 118 N THR A 12 -0.430 10.969 -2.879 1.00 0.00 N ATOM 119 CA THR A 12 0.214 12.176 -2.377 1.00 0.00 C ATOM 120 C THR A 12 0.785 13.011 -3.516 1.00 0.00 C ATOM 121 O THR A 12 0.656 14.235 -3.527 1.00 0.00 O ATOM 122 CB THR A 12 1.343 11.843 -1.384 1.00 0.00 C ATOM 123 OG1 THR A 12 0.795 11.171 -0.241 1.00 0.00 O ATOM 124 CG2 THR A 12 2.048 13.113 -0.930 1.00 0.00 C ATOM 0 H THR A 12 -0.114 10.107 -2.434 1.00 0.00 H new ATOM 0 HA THR A 12 -0.555 12.749 -1.860 1.00 0.00 H new ATOM 0 HB THR A 12 2.066 11.197 -1.883 1.00 0.00 H new ATOM 0 HG1 THR A 12 0.574 10.247 -0.480 1.00 0.00 H new ATOM 0 HG21 THR A 12 2.842 12.857 -0.229 1.00 0.00 H new ATOM 0 HG22 THR A 12 2.476 13.620 -1.794 1.00 0.00 H new ATOM 0 HG23 THR A 12 1.331 13.772 -0.441 1.00 0.00 H new ATOM 132 N LEU A 13 1.416 12.341 -4.475 1.00 0.00 N ATOM 133 CA LEU A 13 2.023 13.022 -5.612 1.00 0.00 C ATOM 134 C LEU A 13 0.978 13.380 -6.660 1.00 0.00 C ATOM 135 O LEU A 13 1.066 14.424 -7.307 1.00 0.00 O ATOM 136 CB LEU A 13 3.120 12.146 -6.231 1.00 0.00 C ATOM 137 CG LEU A 13 4.326 11.873 -5.323 1.00 0.00 C ATOM 138 CD1 LEU A 13 5.317 10.959 -6.031 1.00 0.00 C ATOM 139 CD2 LEU A 13 4.985 13.190 -4.942 1.00 0.00 C ATOM 0 H LEU A 13 1.520 11.326 -4.487 1.00 0.00 H new ATOM 0 HA LEU A 13 2.470 13.949 -5.252 1.00 0.00 H new ATOM 0 HB2 LEU A 13 2.680 11.192 -6.521 1.00 0.00 H new ATOM 0 HB3 LEU A 13 3.474 12.625 -7.144 1.00 0.00 H new ATOM 0 HG LEU A 13 3.990 11.373 -4.414 1.00 0.00 H new ATOM 0 HD11 LEU A 13 6.169 10.771 -5.378 1.00 0.00 H new ATOM 0 HD12 LEU A 13 4.831 10.014 -6.274 1.00 0.00 H new ATOM 0 HD13 LEU A 13 5.661 11.436 -6.949 1.00 0.00 H new ATOM 0 HD21 LEU A 13 5.842 12.995 -4.297 1.00 0.00 H new ATOM 0 HD22 LEU A 13 5.319 13.704 -5.843 1.00 0.00 H new ATOM 0 HD23 LEU A 13 4.267 13.816 -4.412 1.00 0.00 H new ATOM 151 N GLU A 14 -0.011 12.509 -6.826 1.00 0.00 N ATOM 152 CA GLU A 14 -1.126 12.777 -7.725 1.00 0.00 C ATOM 153 C GLU A 14 -1.830 14.077 -7.358 1.00 0.00 C ATOM 154 O GLU A 14 -2.375 14.765 -8.223 1.00 0.00 O ATOM 155 CB GLU A 14 -2.123 11.615 -7.704 1.00 0.00 C ATOM 156 CG GLU A 14 -3.304 11.783 -8.650 1.00 0.00 C ATOM 157 CD GLU A 14 -4.223 10.595 -8.592 1.00 0.00 C ATOM 158 OE1 GLU A 14 -3.950 9.693 -7.837 1.00 0.00 O ATOM 159 OE2 GLU A 14 -5.257 10.637 -9.217 1.00 0.00 O ATOM 0 H GLU A 14 -0.063 11.609 -6.348 1.00 0.00 H new ATOM 0 HA GLU A 14 -0.724 12.880 -8.733 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -1.596 10.696 -7.960 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -2.501 11.494 -6.689 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -3.856 12.686 -8.389 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -2.941 11.915 -9.669 1.00 0.00 H new ATOM 166 N GLU A 15 -1.817 14.408 -6.072 1.00 0.00 N ATOM 167 CA GLU A 15 -2.537 15.574 -5.574 1.00 0.00 C ATOM 168 C GLU A 15 -1.755 16.856 -5.828 1.00 0.00 C ATOM 169 O GLU A 15 -2.202 17.948 -5.480 1.00 0.00 O ATOM 170 CB GLU A 15 -2.828 15.424 -4.078 1.00 0.00 C ATOM 171 CG GLU A 15 -3.850 14.349 -3.741 1.00 0.00 C ATOM 172 CD GLU A 15 -3.768 13.951 -2.293 1.00 0.00 C ATOM 173 OE1 GLU A 15 -3.934 14.802 -1.453 1.00 0.00 O ATOM 174 OE2 GLU A 15 -3.650 12.778 -2.026 1.00 0.00 O ATOM 0 H GLU A 15 -1.315 13.885 -5.355 1.00 0.00 H new ATOM 0 HA GLU A 15 -3.481 15.639 -6.115 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -1.896 15.197 -3.560 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -3.183 16.379 -3.692 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -4.852 14.715 -3.963 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -3.683 13.475 -4.371 1.00 0.00 H new ATOM 181 N LEU A 16 -0.584 16.716 -6.440 1.00 0.00 N ATOM 182 CA LEU A 16 0.191 17.869 -6.884 1.00 0.00 C ATOM 183 C LEU A 16 -0.448 18.526 -8.102 1.00 0.00 C ATOM 184 O LEU A 16 -1.236 17.903 -8.813 1.00 0.00 O ATOM 185 CB LEU A 16 1.632 17.449 -7.200 1.00 0.00 C ATOM 186 CG LEU A 16 2.447 16.957 -5.996 1.00 0.00 C ATOM 187 CD1 LEU A 16 3.784 16.399 -6.464 1.00 0.00 C ATOM 188 CD2 LEU A 16 2.653 18.105 -5.018 1.00 0.00 C ATOM 0 H LEU A 16 -0.150 15.815 -6.640 1.00 0.00 H new ATOM 0 HA LEU A 16 0.204 18.600 -6.075 1.00 0.00 H new ATOM 0 HB2 LEU A 16 1.607 16.658 -7.950 1.00 0.00 H new ATOM 0 HB3 LEU A 16 2.151 18.296 -7.648 1.00 0.00 H new ATOM 0 HG LEU A 16 1.903 16.159 -5.490 1.00 0.00 H new ATOM 0 HD11 LEU A 16 4.355 16.052 -5.603 1.00 0.00 H new ATOM 0 HD12 LEU A 16 3.612 15.565 -7.145 1.00 0.00 H new ATOM 0 HD13 LEU A 16 4.343 17.179 -6.980 1.00 0.00 H new ATOM 0 HD21 LEU A 16 3.232 17.755 -4.163 1.00 0.00 H new ATOM 0 HD22 LEU A 16 3.190 18.913 -5.514 1.00 0.00 H new ATOM 0 HD23 LEU A 16 1.684 18.470 -4.676 1.00 0.00 H new ATOM 200 N VAL A 17 -0.103 19.787 -8.336 1.00 0.00 N ATOM 201 CA VAL A 17 -0.519 20.483 -9.546 1.00 0.00 C ATOM 202 C VAL A 17 0.577 20.455 -10.603 1.00 0.00 C ATOM 203 O VAL A 17 1.740 20.186 -10.299 1.00 0.00 O ATOM 204 CB VAL A 17 -0.900 21.947 -9.254 1.00 0.00 C ATOM 205 CG1 VAL A 17 -2.062 22.010 -8.274 1.00 0.00 C ATOM 206 CG2 VAL A 17 0.296 22.710 -8.708 1.00 0.00 C ATOM 0 H VAL A 17 0.465 20.349 -7.702 1.00 0.00 H new ATOM 0 HA VAL A 17 -1.396 19.958 -9.923 1.00 0.00 H new ATOM 0 HB VAL A 17 -1.210 22.414 -10.189 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -2.318 23.052 -8.079 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -2.925 21.498 -8.700 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -1.777 21.526 -7.340 1.00 0.00 H new ATOM 0 HG21 VAL A 17 0.008 23.742 -8.508 1.00 0.00 H new ATOM 0 HG22 VAL A 17 0.635 22.242 -7.784 1.00 0.00 H new ATOM 0 HG23 VAL A 17 1.103 22.694 -9.440 1.00 0.00 H new ATOM 216 N PRO A 18 0.201 20.737 -11.847 1.00 0.00 N ATOM 217 CA PRO A 18 1.133 20.656 -12.966 1.00 0.00 C ATOM 218 C PRO A 18 2.394 21.465 -12.691 1.00 0.00 C ATOM 219 O PRO A 18 3.480 21.115 -13.152 1.00 0.00 O ATOM 220 CB PRO A 18 0.340 21.210 -14.153 1.00 0.00 C ATOM 221 CG PRO A 18 -1.078 20.873 -13.843 1.00 0.00 C ATOM 222 CD PRO A 18 -1.204 21.014 -12.349 1.00 0.00 C ATOM 0 HA PRO A 18 1.485 19.641 -13.151 1.00 0.00 H new ATOM 0 HB2 PRO A 18 0.479 22.286 -14.256 1.00 0.00 H new ATOM 0 HB3 PRO A 18 0.660 20.756 -15.091 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -1.764 21.544 -14.360 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -1.321 19.860 -14.164 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -1.542 22.011 -12.067 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -1.924 20.306 -11.938 1.00 0.00 H new ATOM 230 N TYR A 19 2.243 22.549 -11.937 1.00 0.00 N ATOM 231 CA TYR A 19 3.365 23.425 -11.621 1.00 0.00 C ATOM 232 C TYR A 19 4.266 22.806 -10.559 1.00 0.00 C ATOM 233 O TYR A 19 5.476 23.035 -10.547 1.00 0.00 O ATOM 234 CB TYR A 19 2.862 24.792 -11.152 1.00 0.00 C ATOM 235 CG TYR A 19 2.196 25.605 -12.238 1.00 0.00 C ATOM 236 CD1 TYR A 19 2.950 26.323 -13.154 1.00 0.00 C ATOM 237 CD2 TYR A 19 0.814 25.657 -12.344 1.00 0.00 C ATOM 238 CE1 TYR A 19 2.348 27.068 -14.149 1.00 0.00 C ATOM 239 CE2 TYR A 19 0.199 26.399 -13.334 1.00 0.00 C ATOM 240 CZ TYR A 19 0.972 27.104 -14.235 1.00 0.00 C ATOM 241 OH TYR A 19 0.365 27.846 -15.224 1.00 0.00 O ATOM 0 H TYR A 19 1.353 22.842 -11.533 1.00 0.00 H new ATOM 0 HA TYR A 19 3.951 23.556 -12.530 1.00 0.00 H new ATOM 0 HB2 TYR A 19 2.155 24.647 -10.335 1.00 0.00 H new ATOM 0 HB3 TYR A 19 3.702 25.359 -10.750 1.00 0.00 H new ATOM 0 HD1 TYR A 19 4.028 26.299 -13.088 1.00 0.00 H new ATOM 0 HD2 TYR A 19 0.207 25.107 -11.640 1.00 0.00 H new ATOM 0 HE1 TYR A 19 2.951 27.619 -14.855 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -0.878 26.427 -13.403 1.00 0.00 H new ATOM 0 HH TYR A 19 -0.608 27.763 -15.145 1.00 0.00 H new ATOM 251 N ASP A 20 3.668 22.022 -9.669 1.00 0.00 N ATOM 252 CA ASP A 20 4.407 21.408 -8.572 1.00 0.00 C ATOM 253 C ASP A 20 4.951 20.042 -8.970 1.00 0.00 C ATOM 254 O ASP A 20 5.851 19.507 -8.322 1.00 0.00 O ATOM 255 CB ASP A 20 3.518 21.278 -7.333 1.00 0.00 C ATOM 256 CG ASP A 20 3.248 22.593 -6.612 1.00 0.00 C ATOM 257 OD1 ASP A 20 3.935 23.548 -6.883 1.00 0.00 O ATOM 258 OD2 ASP A 20 2.263 22.674 -5.917 1.00 0.00 O ATOM 0 H ASP A 20 2.673 21.797 -9.686 1.00 0.00 H new ATOM 0 HA ASP A 20 5.251 22.056 -8.336 1.00 0.00 H new ATOM 0 HB2 ASP A 20 2.566 20.837 -7.628 1.00 0.00 H new ATOM 0 HB3 ASP A 20 3.987 20.585 -6.635 1.00 0.00 H new ATOM 263 N PHE A 21 4.401 19.481 -10.041 1.00 0.00 N ATOM 264 CA PHE A 21 4.979 18.300 -10.670 1.00 0.00 C ATOM 265 C PHE A 21 6.331 18.613 -11.295 1.00 0.00 C ATOM 266 O PHE A 21 7.260 17.808 -11.226 1.00 0.00 O ATOM 267 CB PHE A 21 4.028 17.739 -11.729 1.00 0.00 C ATOM 268 CG PHE A 21 2.964 16.836 -11.172 1.00 0.00 C ATOM 269 CD1 PHE A 21 3.303 15.675 -10.494 1.00 0.00 C ATOM 270 CD2 PHE A 21 1.621 17.147 -11.324 1.00 0.00 C ATOM 271 CE1 PHE A 21 2.326 14.843 -9.982 1.00 0.00 C ATOM 272 CE2 PHE A 21 0.641 16.318 -10.812 1.00 0.00 C ATOM 273 CZ PHE A 21 0.994 15.166 -10.141 1.00 0.00 C ATOM 0 H PHE A 21 3.554 19.826 -10.492 1.00 0.00 H new ATOM 0 HA PHE A 21 5.129 17.549 -9.894 1.00 0.00 H new ATOM 0 HB2 PHE A 21 3.551 18.568 -12.251 1.00 0.00 H new ATOM 0 HB3 PHE A 21 4.608 17.188 -12.469 1.00 0.00 H new ATOM 0 HD1 PHE A 21 4.344 15.418 -10.364 1.00 0.00 H new ATOM 0 HD2 PHE A 21 1.338 18.048 -11.849 1.00 0.00 H new ATOM 0 HE1 PHE A 21 2.605 13.941 -9.458 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -0.401 16.572 -10.937 1.00 0.00 H new ATOM 0 HZ PHE A 21 0.229 14.518 -9.741 1.00 0.00 H new ATOM 283 N GLU A 22 6.437 19.790 -11.903 1.00 0.00 N ATOM 284 CA GLU A 22 7.710 20.266 -12.432 1.00 0.00 C ATOM 285 C GLU A 22 8.702 20.549 -11.311 1.00 0.00 C ATOM 286 O GLU A 22 9.851 20.111 -11.362 1.00 0.00 O ATOM 287 CB GLU A 22 7.501 21.525 -13.277 1.00 0.00 C ATOM 288 CG GLU A 22 6.779 21.284 -14.596 1.00 0.00 C ATOM 289 CD GLU A 22 6.475 22.578 -15.296 1.00 0.00 C ATOM 290 OE1 GLU A 22 6.761 23.613 -14.743 1.00 0.00 O ATOM 291 OE2 GLU A 22 6.059 22.534 -16.430 1.00 0.00 O ATOM 0 H GLU A 22 5.656 20.432 -12.042 1.00 0.00 H new ATOM 0 HA GLU A 22 8.123 19.479 -13.063 1.00 0.00 H new ATOM 0 HB2 GLU A 22 6.934 22.250 -12.693 1.00 0.00 H new ATOM 0 HB3 GLU A 22 8.472 21.974 -13.485 1.00 0.00 H new ATOM 0 HG2 GLU A 22 7.394 20.655 -15.240 1.00 0.00 H new ATOM 0 HG3 GLU A 22 5.852 20.741 -14.412 1.00 0.00 H new ATOM 298 N LYS A 23 8.250 21.281 -10.298 1.00 0.00 N ATOM 299 CA LYS A 23 9.087 21.596 -9.147 1.00 0.00 C ATOM 300 C LYS A 23 9.545 20.329 -8.435 1.00 0.00 C ATOM 301 O LYS A 23 10.668 20.257 -7.937 1.00 0.00 O ATOM 302 CB LYS A 23 8.337 22.504 -8.172 1.00 0.00 C ATOM 303 CG LYS A 23 8.108 23.921 -8.681 1.00 0.00 C ATOM 304 CD LYS A 23 7.334 24.755 -7.671 1.00 0.00 C ATOM 305 CE LYS A 23 7.052 26.151 -8.203 1.00 0.00 C ATOM 306 NZ LYS A 23 6.270 26.968 -7.237 1.00 0.00 N ATOM 0 H LYS A 23 7.307 21.667 -10.251 1.00 0.00 H new ATOM 0 HA LYS A 23 9.970 22.120 -9.511 1.00 0.00 H new ATOM 0 HB2 LYS A 23 7.372 22.053 -7.944 1.00 0.00 H new ATOM 0 HB3 LYS A 23 8.895 22.553 -7.237 1.00 0.00 H new ATOM 0 HG2 LYS A 23 9.068 24.395 -8.887 1.00 0.00 H new ATOM 0 HG3 LYS A 23 7.560 23.887 -9.623 1.00 0.00 H new ATOM 0 HD2 LYS A 23 6.394 24.259 -7.432 1.00 0.00 H new ATOM 0 HD3 LYS A 23 7.902 24.826 -6.744 1.00 0.00 H new ATOM 0 HE2 LYS A 23 7.995 26.653 -8.422 1.00 0.00 H new ATOM 0 HE3 LYS A 23 6.504 26.077 -9.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 6.100 27.912 -7.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 5.359 26.503 -7.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 6.804 27.061 -6.349 1.00 0.00 H new ATOM 320 N PHE A 24 8.668 19.331 -8.393 1.00 0.00 N ATOM 321 CA PHE A 24 8.980 18.065 -7.741 1.00 0.00 C ATOM 322 C PHE A 24 10.107 17.336 -8.463 1.00 0.00 C ATOM 323 O PHE A 24 11.084 16.916 -7.843 1.00 0.00 O ATOM 324 CB PHE A 24 7.737 17.177 -7.675 1.00 0.00 C ATOM 325 CG PHE A 24 7.950 15.890 -6.930 1.00 0.00 C ATOM 326 CD1 PHE A 24 7.918 15.861 -5.544 1.00 0.00 C ATOM 327 CD2 PHE A 24 8.181 14.706 -7.613 1.00 0.00 C ATOM 328 CE1 PHE A 24 8.114 14.678 -4.856 1.00 0.00 C ATOM 329 CE2 PHE A 24 8.376 13.522 -6.930 1.00 0.00 C ATOM 330 CZ PHE A 24 8.343 13.508 -5.550 1.00 0.00 C ATOM 0 H PHE A 24 7.735 19.375 -8.803 1.00 0.00 H new ATOM 0 HA PHE A 24 9.312 18.285 -6.727 1.00 0.00 H new ATOM 0 HB2 PHE A 24 6.930 17.733 -7.198 1.00 0.00 H new ATOM 0 HB3 PHE A 24 7.411 16.949 -8.690 1.00 0.00 H new ATOM 0 HD1 PHE A 24 7.738 16.774 -4.995 1.00 0.00 H new ATOM 0 HD2 PHE A 24 8.209 14.710 -8.693 1.00 0.00 H new ATOM 0 HE1 PHE A 24 8.088 14.670 -3.776 1.00 0.00 H new ATOM 0 HE2 PHE A 24 8.554 12.607 -7.475 1.00 0.00 H new ATOM 0 HZ PHE A 24 8.496 12.583 -5.015 1.00 0.00 H new ATOM 340 N LYS A 25 9.964 17.189 -9.775 1.00 0.00 N ATOM 341 CA LYS A 25 10.932 16.446 -10.573 1.00 0.00 C ATOM 342 C LYS A 25 12.233 17.222 -10.724 1.00 0.00 C ATOM 343 O LYS A 25 13.280 16.648 -11.026 1.00 0.00 O ATOM 344 CB LYS A 25 10.352 16.118 -11.950 1.00 0.00 C ATOM 345 CG LYS A 25 10.251 17.312 -12.890 1.00 0.00 C ATOM 346 CD LYS A 25 9.601 16.924 -14.210 1.00 0.00 C ATOM 347 CE LYS A 25 9.749 18.028 -15.246 1.00 0.00 C ATOM 348 NZ LYS A 25 9.080 17.680 -16.529 1.00 0.00 N ATOM 0 H LYS A 25 9.186 17.575 -10.309 1.00 0.00 H new ATOM 0 HA LYS A 25 11.150 15.515 -10.050 1.00 0.00 H new ATOM 0 HB2 LYS A 25 10.971 15.353 -12.419 1.00 0.00 H new ATOM 0 HB3 LYS A 25 9.359 15.688 -11.820 1.00 0.00 H new ATOM 0 HG2 LYS A 25 9.671 18.103 -12.415 1.00 0.00 H new ATOM 0 HG3 LYS A 25 11.246 17.715 -13.077 1.00 0.00 H new ATOM 0 HD2 LYS A 25 10.055 16.007 -14.586 1.00 0.00 H new ATOM 0 HD3 LYS A 25 8.544 16.713 -14.049 1.00 0.00 H new ATOM 0 HE2 LYS A 25 9.324 18.952 -14.854 1.00 0.00 H new ATOM 0 HE3 LYS A 25 10.807 18.215 -15.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 9.317 18.392 -17.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 9.405 16.745 -16.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 8.050 17.659 -16.389 1.00 0.00 H new ATOM 362 N PHE A 26 12.163 18.532 -10.511 1.00 0.00 N ATOM 363 CA PHE A 26 13.357 19.368 -10.474 1.00 0.00 C ATOM 364 C PHE A 26 14.189 19.086 -9.230 1.00 0.00 C ATOM 365 O PHE A 26 15.410 19.240 -9.239 1.00 0.00 O ATOM 366 CB PHE A 26 12.975 20.848 -10.528 1.00 0.00 C ATOM 367 CG PHE A 26 12.419 21.283 -11.855 1.00 0.00 C ATOM 368 CD1 PHE A 26 12.510 20.457 -12.965 1.00 0.00 C ATOM 369 CD2 PHE A 26 11.805 22.518 -11.994 1.00 0.00 C ATOM 370 CE1 PHE A 26 12.000 20.856 -14.185 1.00 0.00 C ATOM 371 CE2 PHE A 26 11.292 22.919 -13.213 1.00 0.00 C ATOM 372 CZ PHE A 26 11.390 22.087 -14.310 1.00 0.00 C ATOM 0 H PHE A 26 11.290 19.038 -10.361 1.00 0.00 H new ATOM 0 HA PHE A 26 13.961 19.126 -11.348 1.00 0.00 H new ATOM 0 HB2 PHE A 26 12.238 21.052 -9.751 1.00 0.00 H new ATOM 0 HB3 PHE A 26 13.855 21.449 -10.298 1.00 0.00 H new ATOM 0 HD1 PHE A 26 12.985 19.491 -12.875 1.00 0.00 H new ATOM 0 HD2 PHE A 26 11.727 23.174 -11.140 1.00 0.00 H new ATOM 0 HE1 PHE A 26 12.079 20.204 -15.042 1.00 0.00 H new ATOM 0 HE2 PHE A 26 10.815 23.883 -13.307 1.00 0.00 H new ATOM 0 HZ PHE A 26 10.990 22.399 -15.264 1.00 0.00 H new ATOM 382 N LYS A 27 13.521 18.673 -8.159 1.00 0.00 N ATOM 383 CA LYS A 27 14.201 18.326 -6.917 1.00 0.00 C ATOM 384 C LYS A 27 14.684 16.880 -6.939 1.00 0.00 C ATOM 385 O LYS A 27 15.619 16.517 -6.226 1.00 0.00 O ATOM 386 CB LYS A 27 13.279 18.553 -5.718 1.00 0.00 C ATOM 387 CG LYS A 27 12.912 20.011 -5.475 1.00 0.00 C ATOM 388 CD LYS A 27 14.139 20.841 -5.130 1.00 0.00 C ATOM 389 CE LYS A 27 13.765 22.284 -4.827 1.00 0.00 C ATOM 390 NZ LYS A 27 14.961 23.119 -4.531 1.00 0.00 N ATOM 0 H LYS A 27 12.507 18.570 -8.126 1.00 0.00 H new ATOM 0 HA LYS A 27 15.071 18.976 -6.822 1.00 0.00 H new ATOM 0 HB2 LYS A 27 12.364 17.980 -5.865 1.00 0.00 H new ATOM 0 HB3 LYS A 27 13.762 18.158 -4.824 1.00 0.00 H new ATOM 0 HG2 LYS A 27 12.432 20.420 -6.364 1.00 0.00 H new ATOM 0 HG3 LYS A 27 12.187 20.075 -4.663 1.00 0.00 H new ATOM 0 HD2 LYS A 27 14.644 20.406 -4.268 1.00 0.00 H new ATOM 0 HD3 LYS A 27 14.845 20.813 -5.960 1.00 0.00 H new ATOM 0 HE2 LYS A 27 13.230 22.706 -5.677 1.00 0.00 H new ATOM 0 HE3 LYS A 27 13.084 22.311 -3.976 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 14.662 24.095 -4.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 15.459 22.732 -3.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 15.599 23.115 -5.352 1.00 0.00 H new ATOM 404 N LEU A 28 14.041 16.061 -7.763 1.00 0.00 N ATOM 405 CA LEU A 28 14.507 14.701 -8.009 1.00 0.00 C ATOM 406 C LEU A 28 15.863 14.701 -8.702 1.00 0.00 C ATOM 407 O LEU A 28 16.702 13.836 -8.446 1.00 0.00 O ATOM 408 CB LEU A 28 13.478 13.932 -8.848 1.00 0.00 C ATOM 409 CG LEU A 28 12.168 13.594 -8.126 1.00 0.00 C ATOM 410 CD1 LEU A 28 11.223 12.869 -9.074 1.00 0.00 C ATOM 411 CD2 LEU A 28 12.466 12.740 -6.903 1.00 0.00 C ATOM 0 H LEU A 28 13.195 16.315 -8.273 1.00 0.00 H new ATOM 0 HA LEU A 28 14.622 14.203 -7.046 1.00 0.00 H new ATOM 0 HB2 LEU A 28 13.244 14.520 -9.735 1.00 0.00 H new ATOM 0 HB3 LEU A 28 13.934 13.004 -9.192 1.00 0.00 H new ATOM 0 HG LEU A 28 11.684 14.515 -7.800 1.00 0.00 H new ATOM 0 HD11 LEU A 28 10.295 12.633 -8.553 1.00 0.00 H new ATOM 0 HD12 LEU A 28 11.006 13.508 -9.930 1.00 0.00 H new ATOM 0 HD13 LEU A 28 11.690 11.947 -9.419 1.00 0.00 H new ATOM 0 HD21 LEU A 28 11.534 12.500 -6.391 1.00 0.00 H new ATOM 0 HD22 LEU A 28 12.957 11.818 -7.214 1.00 0.00 H new ATOM 0 HD23 LEU A 28 13.121 13.289 -6.227 1.00 0.00 H new ATOM 423 N GLN A 29 16.073 15.675 -9.581 1.00 0.00 N ATOM 424 CA GLN A 29 17.356 15.834 -10.257 1.00 0.00 C ATOM 425 C GLN A 29 18.404 16.417 -9.317 1.00 0.00 C ATOM 426 O GLN A 29 19.605 16.269 -9.544 1.00 0.00 O ATOM 427 CB GLN A 29 17.206 16.734 -11.486 1.00 0.00 C ATOM 428 CG GLN A 29 16.364 16.132 -12.598 1.00 0.00 C ATOM 429 CD GLN A 29 16.173 17.088 -13.762 1.00 0.00 C ATOM 430 OE1 GLN A 29 16.985 17.126 -14.690 1.00 0.00 O ATOM 431 NE2 GLN A 29 15.099 17.867 -13.716 1.00 0.00 N ATOM 0 H GLN A 29 15.371 16.367 -9.842 1.00 0.00 H new ATOM 0 HA GLN A 29 17.688 14.846 -10.575 1.00 0.00 H new ATOM 0 HB2 GLN A 29 16.759 17.679 -11.178 1.00 0.00 H new ATOM 0 HB3 GLN A 29 18.197 16.963 -11.879 1.00 0.00 H new ATOM 0 HG2 GLN A 29 16.839 15.219 -12.956 1.00 0.00 H new ATOM 0 HG3 GLN A 29 15.389 15.849 -12.200 1.00 0.00 H new ATOM 0 HE21 GLN A 29 14.454 17.801 -12.928 1.00 0.00 H new ATOM 0 HE22 GLN A 29 14.918 18.532 -14.468 1.00 0.00 H new ATOM 440 N ASN A 30 17.943 17.082 -8.263 1.00 0.00 N ATOM 441 CA ASN A 30 18.840 17.669 -7.276 1.00 0.00 C ATOM 442 C ASN A 30 18.948 16.791 -6.037 1.00 0.00 C ATOM 443 O ASN A 30 19.433 17.228 -4.994 1.00 0.00 O ATOM 444 CB ASN A 30 18.397 19.070 -6.888 1.00 0.00 C ATOM 445 CG ASN A 30 18.565 20.082 -7.986 1.00 0.00 C ATOM 446 OD1 ASN A 30 19.421 19.939 -8.867 1.00 0.00 O ATOM 447 ND2 ASN A 30 17.808 21.146 -7.894 1.00 0.00 N ATOM 0 H ASN A 30 16.952 17.228 -8.071 1.00 0.00 H new ATOM 0 HA ASN A 30 19.825 17.737 -7.738 1.00 0.00 H new ATOM 0 HB2 ASN A 30 17.349 19.041 -6.590 1.00 0.00 H new ATOM 0 HB3 ASN A 30 18.967 19.394 -6.017 1.00 0.00 H new ATOM 0 HD21 ASN A 30 17.910 21.905 -8.568 1.00 0.00 H new ATOM 0 HD22 ASN A 30 17.116 21.216 -7.148 1.00 0.00 H new ATOM 454 N THR A 31 18.493 15.548 -6.158 1.00 0.00 N ATOM 455 CA THR A 31 18.543 14.602 -5.049 1.00 0.00 C ATOM 456 C THR A 31 19.949 14.044 -4.866 1.00 0.00 C ATOM 457 O THR A 31 20.573 13.581 -5.820 1.00 0.00 O ATOM 458 CB THR A 31 17.561 13.434 -5.258 1.00 0.00 C ATOM 459 OG1 THR A 31 16.217 13.930 -5.252 1.00 0.00 O ATOM 460 CG2 THR A 31 17.721 12.400 -4.154 1.00 0.00 C ATOM 0 H THR A 31 18.085 15.172 -7.014 1.00 0.00 H new ATOM 0 HA THR A 31 18.253 15.151 -4.153 1.00 0.00 H new ATOM 0 HB THR A 31 17.777 12.963 -6.217 1.00 0.00 H new ATOM 0 HG1 THR A 31 16.204 14.843 -5.607 1.00 0.00 H new ATOM 0 HG21 THR A 31 17.020 11.582 -4.317 1.00 0.00 H new ATOM 0 HG22 THR A 31 18.740 12.012 -4.164 1.00 0.00 H new ATOM 0 HG23 THR A 31 17.519 12.864 -3.189 1.00 0.00 H new ATOM 468 N SER A 32 20.441 14.090 -3.633 1.00 0.00 N ATOM 469 CA SER A 32 21.692 13.429 -3.282 1.00 0.00 C ATOM 470 C SER A 32 21.487 11.934 -3.078 1.00 0.00 C ATOM 471 O SER A 32 20.562 11.514 -2.381 1.00 0.00 O ATOM 472 CB SER A 32 22.284 14.057 -2.034 1.00 0.00 C ATOM 473 OG SER A 32 23.439 13.389 -1.607 1.00 0.00 O ATOM 0 H SER A 32 19.992 14.579 -2.859 1.00 0.00 H new ATOM 0 HA SER A 32 22.389 13.561 -4.110 1.00 0.00 H new ATOM 0 HB2 SER A 32 22.522 15.102 -2.232 1.00 0.00 H new ATOM 0 HB3 SER A 32 21.542 14.045 -1.235 1.00 0.00 H new ATOM 0 HG SER A 32 23.790 13.825 -0.803 1.00 0.00 H new ATOM 479 N VAL A 33 22.355 11.133 -3.687 1.00 0.00 N ATOM 480 CA VAL A 33 22.176 9.686 -3.710 1.00 0.00 C ATOM 481 C VAL A 33 23.335 8.978 -3.021 1.00 0.00 C ATOM 482 O VAL A 33 24.500 9.216 -3.341 1.00 0.00 O ATOM 483 CB VAL A 33 22.047 9.155 -5.151 1.00 0.00 C ATOM 484 CG1 VAL A 33 21.860 7.646 -5.147 1.00 0.00 C ATOM 485 CG2 VAL A 33 20.888 9.832 -5.866 1.00 0.00 C ATOM 0 H VAL A 33 23.190 11.462 -4.172 1.00 0.00 H new ATOM 0 HA VAL A 33 21.252 9.475 -3.171 1.00 0.00 H new ATOM 0 HB VAL A 33 22.967 9.388 -5.688 1.00 0.00 H new ATOM 0 HG11 VAL A 33 21.771 7.288 -6.173 1.00 0.00 H new ATOM 0 HG12 VAL A 33 22.720 7.174 -4.671 1.00 0.00 H new ATOM 0 HG13 VAL A 33 20.955 7.393 -4.594 1.00 0.00 H new ATOM 0 HG21 VAL A 33 20.811 9.445 -6.882 1.00 0.00 H new ATOM 0 HG22 VAL A 33 19.961 9.629 -5.330 1.00 0.00 H new ATOM 0 HG23 VAL A 33 21.060 10.908 -5.899 1.00 0.00 H new ATOM 495 N GLN A 34 23.009 8.106 -2.072 1.00 0.00 N ATOM 496 CA GLN A 34 24.021 7.341 -1.354 1.00 0.00 C ATOM 497 C GLN A 34 24.366 6.055 -2.093 1.00 0.00 C ATOM 498 O GLN A 34 23.631 5.620 -2.980 1.00 0.00 O ATOM 499 CB GLN A 34 23.539 7.010 0.061 1.00 0.00 C ATOM 500 CG GLN A 34 23.194 8.229 0.901 1.00 0.00 C ATOM 501 CD GLN A 34 24.387 9.139 1.119 1.00 0.00 C ATOM 502 OE1 GLN A 34 25.447 8.699 1.572 1.00 0.00 O ATOM 503 NE2 GLN A 34 24.220 10.418 0.801 1.00 0.00 N ATOM 0 H GLN A 34 22.050 7.912 -1.783 1.00 0.00 H new ATOM 0 HA GLN A 34 24.919 7.956 -1.292 1.00 0.00 H new ATOM 0 HB2 GLN A 34 22.660 6.369 -0.007 1.00 0.00 H new ATOM 0 HB3 GLN A 34 24.313 6.437 0.572 1.00 0.00 H new ATOM 0 HG2 GLN A 34 22.398 8.790 0.412 1.00 0.00 H new ATOM 0 HG3 GLN A 34 22.808 7.903 1.867 1.00 0.00 H new ATOM 0 HE21 GLN A 34 23.326 10.739 0.429 1.00 0.00 H new ATOM 0 HE22 GLN A 34 24.986 11.079 0.929 1.00 0.00 H new ATOM 512 N LYS A 35 25.488 5.448 -1.722 1.00 0.00 N ATOM 513 CA LYS A 35 25.949 4.226 -2.371 1.00 0.00 C ATOM 514 C LYS A 35 24.981 3.076 -2.131 1.00 0.00 C ATOM 515 O LYS A 35 24.921 2.128 -2.913 1.00 0.00 O ATOM 516 CB LYS A 35 27.347 3.850 -1.874 1.00 0.00 C ATOM 517 CG LYS A 35 28.451 4.795 -2.327 1.00 0.00 C ATOM 518 CD LYS A 35 29.805 4.367 -1.780 1.00 0.00 C ATOM 519 CE LYS A 35 30.912 5.299 -2.249 1.00 0.00 C ATOM 520 NZ LYS A 35 32.239 4.908 -1.700 1.00 0.00 N ATOM 0 H LYS A 35 26.096 5.783 -0.974 1.00 0.00 H new ATOM 0 HA LYS A 35 25.994 4.415 -3.444 1.00 0.00 H new ATOM 0 HB2 LYS A 35 27.336 3.820 -0.784 1.00 0.00 H new ATOM 0 HB3 LYS A 35 27.583 2.843 -2.219 1.00 0.00 H new ATOM 0 HG2 LYS A 35 28.488 4.819 -3.416 1.00 0.00 H new ATOM 0 HG3 LYS A 35 28.225 5.808 -1.993 1.00 0.00 H new ATOM 0 HD2 LYS A 35 29.773 4.357 -0.691 1.00 0.00 H new ATOM 0 HD3 LYS A 35 30.024 3.349 -2.102 1.00 0.00 H new ATOM 0 HE2 LYS A 35 30.954 5.293 -3.338 1.00 0.00 H new ATOM 0 HE3 LYS A 35 30.680 6.320 -1.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 32.965 5.568 -2.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 32.207 4.938 -0.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 32.473 3.944 -2.011 1.00 0.00 H new ATOM 534 N GLU A 36 24.222 3.165 -1.044 1.00 0.00 N ATOM 535 CA GLU A 36 23.253 2.132 -0.699 1.00 0.00 C ATOM 536 C GLU A 36 22.094 2.111 -1.688 1.00 0.00 C ATOM 537 O GLU A 36 21.495 1.064 -1.935 1.00 0.00 O ATOM 538 CB GLU A 36 22.727 2.343 0.723 1.00 0.00 C ATOM 539 CG GLU A 36 23.753 2.083 1.817 1.00 0.00 C ATOM 540 CD GLU A 36 23.200 2.421 3.174 1.00 0.00 C ATOM 541 OE1 GLU A 36 22.091 2.892 3.243 1.00 0.00 O ATOM 542 OE2 GLU A 36 23.840 2.103 4.149 1.00 0.00 O ATOM 0 H GLU A 36 24.260 3.943 -0.386 1.00 0.00 H new ATOM 0 HA GLU A 36 23.761 1.169 -0.749 1.00 0.00 H new ATOM 0 HB2 GLU A 36 22.366 3.367 0.816 1.00 0.00 H new ATOM 0 HB3 GLU A 36 21.870 1.688 0.882 1.00 0.00 H new ATOM 0 HG2 GLU A 36 24.054 1.036 1.795 1.00 0.00 H new ATOM 0 HG3 GLU A 36 24.648 2.676 1.628 1.00 0.00 H new ATOM 549 N HIS A 37 21.784 3.274 -2.251 1.00 0.00 N ATOM 550 CA HIS A 37 20.622 3.416 -3.121 1.00 0.00 C ATOM 551 C HIS A 37 21.042 3.640 -4.568 1.00 0.00 C ATOM 552 O HIS A 37 22.202 3.944 -4.848 1.00 0.00 O ATOM 553 CB HIS A 37 19.733 4.572 -2.649 1.00 0.00 C ATOM 554 CG HIS A 37 19.343 4.480 -1.207 1.00 0.00 C ATOM 555 ND1 HIS A 37 18.239 3.774 -0.778 1.00 0.00 N ATOM 556 CD2 HIS A 37 19.909 5.007 -0.095 1.00 0.00 C ATOM 557 CE1 HIS A 37 18.144 3.870 0.537 1.00 0.00 C ATOM 558 NE2 HIS A 37 19.144 4.612 0.975 1.00 0.00 N ATOM 0 H HIS A 37 22.321 4.131 -2.121 1.00 0.00 H new ATOM 0 HA HIS A 37 20.053 2.488 -3.068 1.00 0.00 H new ATOM 0 HB2 HIS A 37 20.257 5.513 -2.815 1.00 0.00 H new ATOM 0 HB3 HIS A 37 18.830 4.597 -3.260 1.00 0.00 H new ATOM 0 HD1 HIS A 37 17.597 3.259 -1.380 1.00 0.00 H new ATOM 0 HD2 HIS A 37 20.796 5.622 -0.057 1.00 0.00 H new ATOM 0 HE1 HIS A 37 17.378 3.418 1.149 1.00 0.00 H new ATOM 566 N SER A 38 20.092 3.490 -5.484 1.00 0.00 N ATOM 567 CA SER A 38 20.344 3.743 -6.898 1.00 0.00 C ATOM 568 C SER A 38 19.719 5.059 -7.342 1.00 0.00 C ATOM 569 O SER A 38 18.680 5.470 -6.826 1.00 0.00 O ATOM 570 CB SER A 38 19.813 2.596 -7.736 1.00 0.00 C ATOM 571 OG SER A 38 20.488 1.396 -7.476 1.00 0.00 O ATOM 0 H SER A 38 19.139 3.194 -5.272 1.00 0.00 H new ATOM 0 HA SER A 38 21.422 3.819 -7.043 1.00 0.00 H new ATOM 0 HB2 SER A 38 18.750 2.464 -7.536 1.00 0.00 H new ATOM 0 HB3 SER A 38 19.910 2.844 -8.793 1.00 0.00 H new ATOM 0 HG SER A 38 20.114 0.683 -8.035 1.00 0.00 H new ATOM 577 N ARG A 39 20.359 5.718 -8.303 1.00 0.00 N ATOM 578 CA ARG A 39 19.873 6.994 -8.812 1.00 0.00 C ATOM 579 C ARG A 39 18.919 6.794 -9.982 1.00 0.00 C ATOM 580 O ARG A 39 19.213 6.046 -10.914 1.00 0.00 O ATOM 581 CB ARG A 39 21.010 7.937 -9.175 1.00 0.00 C ATOM 582 CG ARG A 39 20.571 9.298 -9.694 1.00 0.00 C ATOM 583 CD ARG A 39 21.687 10.244 -9.952 1.00 0.00 C ATOM 584 NE ARG A 39 21.270 11.550 -10.437 1.00 0.00 N ATOM 585 CZ ARG A 39 20.940 12.590 -9.649 1.00 0.00 C ATOM 586 NH1 ARG A 39 20.940 12.474 -8.338 1.00 0.00 N ATOM 587 NH2 ARG A 39 20.592 13.727 -10.226 1.00 0.00 N ATOM 0 H ARG A 39 21.217 5.388 -8.745 1.00 0.00 H new ATOM 0 HA ARG A 39 19.315 7.469 -8.005 1.00 0.00 H new ATOM 0 HB2 ARG A 39 21.636 8.084 -8.295 1.00 0.00 H new ATOM 0 HB3 ARG A 39 21.632 7.459 -9.932 1.00 0.00 H new ATOM 0 HG2 ARG A 39 20.009 9.157 -10.617 1.00 0.00 H new ATOM 0 HG3 ARG A 39 19.890 9.747 -8.971 1.00 0.00 H new ATOM 0 HD2 ARG A 39 22.254 10.377 -9.031 1.00 0.00 H new ATOM 0 HD3 ARG A 39 22.363 9.798 -10.682 1.00 0.00 H new ATOM 0 HE ARG A 39 21.224 11.688 -11.447 1.00 0.00 H new ATOM 0 HH11 ARG A 39 21.193 11.586 -7.905 1.00 0.00 H new ATOM 0 HH12 ARG A 39 20.687 13.272 -7.755 1.00 0.00 H new ATOM 0 HH21 ARG A 39 20.579 13.799 -11.243 1.00 0.00 H new ATOM 0 HH22 ARG A 39 20.337 14.532 -9.654 1.00 0.00 H new ATOM 601 N ILE A 40 17.774 7.468 -9.928 1.00 0.00 N ATOM 602 CA ILE A 40 16.830 7.463 -11.039 1.00 0.00 C ATOM 603 C ILE A 40 17.367 8.258 -12.221 1.00 0.00 C ATOM 604 O ILE A 40 17.726 9.427 -12.084 1.00 0.00 O ATOM 605 CB ILE A 40 15.465 8.041 -10.621 1.00 0.00 C ATOM 606 CG1 ILE A 40 14.858 7.210 -9.488 1.00 0.00 C ATOM 607 CG2 ILE A 40 14.521 8.090 -11.814 1.00 0.00 C ATOM 608 CD1 ILE A 40 13.631 7.835 -8.863 1.00 0.00 C ATOM 0 H ILE A 40 17.478 8.025 -9.126 1.00 0.00 H new ATOM 0 HA ILE A 40 16.698 6.422 -11.336 1.00 0.00 H new ATOM 0 HB ILE A 40 15.615 9.058 -10.259 1.00 0.00 H new ATOM 0 HG12 ILE A 40 14.596 6.224 -9.873 1.00 0.00 H new ATOM 0 HG13 ILE A 40 15.612 7.061 -8.715 1.00 0.00 H new ATOM 0 HG21 ILE A 40 13.561 8.501 -11.502 1.00 0.00 H new ATOM 0 HG22 ILE A 40 14.950 8.722 -12.592 1.00 0.00 H new ATOM 0 HG23 ILE A 40 14.375 7.083 -12.204 1.00 0.00 H new ATOM 0 HD11 ILE A 40 13.258 7.189 -8.069 1.00 0.00 H new ATOM 0 HD12 ILE A 40 13.890 8.808 -8.447 1.00 0.00 H new ATOM 0 HD13 ILE A 40 12.859 7.959 -9.622 1.00 0.00 H new ATOM 620 N PRO A 41 17.421 7.617 -13.384 1.00 0.00 N ATOM 621 CA PRO A 41 17.857 8.281 -14.606 1.00 0.00 C ATOM 622 C PRO A 41 17.093 9.578 -14.831 1.00 0.00 C ATOM 623 O PRO A 41 15.868 9.618 -14.707 1.00 0.00 O ATOM 624 CB PRO A 41 17.586 7.252 -15.709 1.00 0.00 C ATOM 625 CG PRO A 41 17.657 5.936 -15.013 1.00 0.00 C ATOM 626 CD PRO A 41 17.086 6.176 -13.642 1.00 0.00 C ATOM 0 HA PRO A 41 18.906 8.576 -14.575 1.00 0.00 H new ATOM 0 HB2 PRO A 41 16.609 7.408 -16.166 1.00 0.00 H new ATOM 0 HB3 PRO A 41 18.326 7.320 -16.507 1.00 0.00 H new ATOM 0 HG2 PRO A 41 17.086 5.177 -15.549 1.00 0.00 H new ATOM 0 HG3 PRO A 41 18.685 5.579 -14.953 1.00 0.00 H new ATOM 0 HD2 PRO A 41 16.010 6.001 -13.616 1.00 0.00 H new ATOM 0 HD3 PRO A 41 17.534 5.518 -12.897 1.00 0.00 H new ATOM 634 N ARG A 42 17.821 10.639 -15.163 1.00 0.00 N ATOM 635 CA ARG A 42 17.220 11.954 -15.348 1.00 0.00 C ATOM 636 C ARG A 42 16.289 11.971 -16.553 1.00 0.00 C ATOM 637 O ARG A 42 15.382 12.799 -16.638 1.00 0.00 O ATOM 638 CB ARG A 42 18.266 13.056 -15.436 1.00 0.00 C ATOM 639 CG ARG A 42 18.998 13.348 -14.136 1.00 0.00 C ATOM 640 CD ARG A 42 20.032 14.410 -14.242 1.00 0.00 C ATOM 641 NE ARG A 42 19.509 15.733 -14.547 1.00 0.00 N ATOM 642 CZ ARG A 42 20.261 16.783 -14.926 1.00 0.00 C ATOM 643 NH1 ARG A 42 21.569 16.685 -15.011 1.00 0.00 N ATOM 644 NH2 ARG A 42 19.651 17.926 -15.187 1.00 0.00 N ATOM 0 H ARG A 42 18.830 10.613 -15.310 1.00 0.00 H new ATOM 0 HA ARG A 42 16.620 12.159 -14.461 1.00 0.00 H new ATOM 0 HB2 ARG A 42 18.999 12.782 -16.195 1.00 0.00 H new ATOM 0 HB3 ARG A 42 17.781 13.971 -15.777 1.00 0.00 H new ATOM 0 HG2 ARG A 42 18.269 13.641 -13.380 1.00 0.00 H new ATOM 0 HG3 ARG A 42 19.471 12.431 -13.785 1.00 0.00 H new ATOM 0 HD2 ARG A 42 20.583 14.459 -13.302 1.00 0.00 H new ATOM 0 HD3 ARG A 42 20.746 14.128 -15.016 1.00 0.00 H new ATOM 0 HE ARG A 42 18.502 15.875 -14.468 1.00 0.00 H new ATOM 0 HH11 ARG A 42 22.030 15.803 -14.788 1.00 0.00 H new ATOM 0 HH12 ARG A 42 22.123 17.491 -15.300 1.00 0.00 H new ATOM 0 HH21 ARG A 42 18.637 17.995 -15.099 1.00 0.00 H new ATOM 0 HH22 ARG A 42 20.194 18.739 -15.476 1.00 0.00 H new ATOM 658 N SER A 43 16.518 11.051 -17.484 1.00 0.00 N ATOM 659 CA SER A 43 15.620 10.868 -18.617 1.00 0.00 C ATOM 660 C SER A 43 14.249 10.383 -18.161 1.00 0.00 C ATOM 661 O SER A 43 13.242 10.623 -18.827 1.00 0.00 O ATOM 662 CB SER A 43 16.222 9.891 -19.609 1.00 0.00 C ATOM 663 OG SER A 43 16.251 8.583 -19.107 1.00 0.00 O ATOM 0 H SER A 43 17.319 10.420 -17.476 1.00 0.00 H new ATOM 0 HA SER A 43 15.489 11.834 -19.105 1.00 0.00 H new ATOM 0 HB2 SER A 43 15.645 9.912 -20.534 1.00 0.00 H new ATOM 0 HB3 SER A 43 17.235 10.206 -19.858 1.00 0.00 H new ATOM 0 HG SER A 43 16.644 7.984 -19.776 1.00 0.00 H new ATOM 669 N GLN A 44 14.219 9.699 -17.022 1.00 0.00 N ATOM 670 CA GLN A 44 12.973 9.172 -16.479 1.00 0.00 C ATOM 671 C GLN A 44 12.358 10.137 -15.473 1.00 0.00 C ATOM 672 O GLN A 44 11.145 10.143 -15.266 1.00 0.00 O ATOM 673 CB GLN A 44 13.211 7.814 -15.812 1.00 0.00 C ATOM 674 CG GLN A 44 13.808 6.764 -16.735 1.00 0.00 C ATOM 675 CD GLN A 44 13.039 6.631 -18.034 1.00 0.00 C ATOM 676 OE1 GLN A 44 11.851 6.295 -18.037 1.00 0.00 O ATOM 677 NE2 GLN A 44 13.712 6.888 -19.149 1.00 0.00 N ATOM 0 H GLN A 44 15.044 9.497 -16.457 1.00 0.00 H new ATOM 0 HA GLN A 44 12.277 9.048 -17.309 1.00 0.00 H new ATOM 0 HB2 GLN A 44 13.875 7.952 -14.959 1.00 0.00 H new ATOM 0 HB3 GLN A 44 12.264 7.442 -15.421 1.00 0.00 H new ATOM 0 HG2 GLN A 44 14.844 7.024 -16.954 1.00 0.00 H new ATOM 0 HG3 GLN A 44 13.822 5.801 -16.224 1.00 0.00 H new ATOM 0 HE21 GLN A 44 14.693 7.163 -19.101 1.00 0.00 H new ATOM 0 HE22 GLN A 44 13.248 6.811 -20.054 1.00 0.00 H new ATOM 686 N ILE A 45 13.202 10.952 -14.851 1.00 0.00 N ATOM 687 CA ILE A 45 12.737 11.974 -13.921 1.00 0.00 C ATOM 688 C ILE A 45 11.968 13.070 -14.648 1.00 0.00 C ATOM 689 O ILE A 45 10.880 13.464 -14.226 1.00 0.00 O ATOM 690 CB ILE A 45 13.906 12.608 -13.146 1.00 0.00 C ATOM 691 CG1 ILE A 45 14.535 11.584 -12.198 1.00 0.00 C ATOM 692 CG2 ILE A 45 13.431 13.831 -12.375 1.00 0.00 C ATOM 693 CD1 ILE A 45 15.834 12.043 -11.578 1.00 0.00 C ATOM 0 H ILE A 45 14.214 10.925 -14.974 1.00 0.00 H new ATOM 0 HA ILE A 45 12.074 11.476 -13.214 1.00 0.00 H new ATOM 0 HB ILE A 45 14.665 12.926 -13.861 1.00 0.00 H new ATOM 0 HG12 ILE A 45 13.825 11.355 -11.403 1.00 0.00 H new ATOM 0 HG13 ILE A 45 14.712 10.658 -12.745 1.00 0.00 H new ATOM 0 HG21 ILE A 45 14.270 14.267 -11.832 1.00 0.00 H new ATOM 0 HG22 ILE A 45 13.027 14.566 -13.071 1.00 0.00 H new ATOM 0 HG23 ILE A 45 12.655 13.537 -11.668 1.00 0.00 H new ATOM 0 HD11 ILE A 45 16.218 11.264 -10.919 1.00 0.00 H new ATOM 0 HD12 ILE A 45 16.561 12.244 -12.364 1.00 0.00 H new ATOM 0 HD13 ILE A 45 15.661 12.952 -11.002 1.00 0.00 H new ATOM 705 N GLN A 46 12.540 13.560 -15.744 1.00 0.00 N ATOM 706 CA GLN A 46 11.953 14.672 -16.481 1.00 0.00 C ATOM 707 C GLN A 46 10.671 14.251 -17.186 1.00 0.00 C ATOM 708 O GLN A 46 9.844 15.090 -17.546 1.00 0.00 O ATOM 709 CB GLN A 46 12.950 15.220 -17.507 1.00 0.00 C ATOM 710 CG GLN A 46 14.142 15.935 -16.895 1.00 0.00 C ATOM 711 CD GLN A 46 15.135 16.403 -17.942 1.00 0.00 C ATOM 712 OE1 GLN A 46 14.888 16.293 -19.147 1.00 0.00 O ATOM 713 NE2 GLN A 46 16.270 16.925 -17.489 1.00 0.00 N ATOM 0 H GLN A 46 13.410 13.204 -16.141 1.00 0.00 H new ATOM 0 HA GLN A 46 11.710 15.454 -15.762 1.00 0.00 H new ATOM 0 HB2 GLN A 46 13.311 14.396 -18.122 1.00 0.00 H new ATOM 0 HB3 GLN A 46 12.429 15.909 -18.171 1.00 0.00 H new ATOM 0 HG2 GLN A 46 13.792 16.793 -16.321 1.00 0.00 H new ATOM 0 HG3 GLN A 46 14.644 15.266 -16.196 1.00 0.00 H new ATOM 0 HE21 GLN A 46 16.433 16.997 -16.485 1.00 0.00 H new ATOM 0 HE22 GLN A 46 16.978 17.254 -18.146 1.00 0.00 H new ATOM 722 N ARG A 47 10.509 12.946 -17.380 1.00 0.00 N ATOM 723 CA ARG A 47 9.322 12.410 -18.036 1.00 0.00 C ATOM 724 C ARG A 47 8.450 11.642 -17.052 1.00 0.00 C ATOM 725 O ARG A 47 7.485 10.986 -17.444 1.00 0.00 O ATOM 726 CB ARG A 47 9.671 11.563 -19.251 1.00 0.00 C ATOM 727 CG ARG A 47 10.372 12.312 -20.372 1.00 0.00 C ATOM 728 CD ARG A 47 9.509 13.282 -21.094 1.00 0.00 C ATOM 729 NE ARG A 47 10.132 13.893 -22.257 1.00 0.00 N ATOM 730 CZ ARG A 47 9.534 14.797 -23.058 1.00 0.00 C ATOM 731 NH1 ARG A 47 8.291 15.169 -22.851 1.00 0.00 N ATOM 732 NH2 ARG A 47 10.225 15.283 -24.075 1.00 0.00 N ATOM 0 H ARG A 47 11.186 12.240 -17.092 1.00 0.00 H new ATOM 0 HA ARG A 47 8.745 13.260 -18.401 1.00 0.00 H new ATOM 0 HB2 ARG A 47 10.308 10.739 -18.930 1.00 0.00 H new ATOM 0 HB3 ARG A 47 8.755 11.123 -19.645 1.00 0.00 H new ATOM 0 HG2 ARG A 47 11.228 12.844 -19.957 1.00 0.00 H new ATOM 0 HG3 ARG A 47 10.762 11.588 -21.088 1.00 0.00 H new ATOM 0 HD2 ARG A 47 8.598 12.774 -21.410 1.00 0.00 H new ATOM 0 HD3 ARG A 47 9.211 14.069 -20.402 1.00 0.00 H new ATOM 0 HE ARG A 47 11.088 13.618 -22.482 1.00 0.00 H new ATOM 0 HH11 ARG A 47 7.763 14.772 -22.074 1.00 0.00 H new ATOM 0 HH12 ARG A 47 7.854 15.854 -23.467 1.00 0.00 H new ATOM 0 HH21 ARG A 47 11.183 14.972 -24.235 1.00 0.00 H new ATOM 0 HH22 ARG A 47 9.800 15.969 -24.699 1.00 0.00 H new ATOM 746 N ALA A 48 8.794 11.726 -15.771 1.00 0.00 N ATOM 747 CA ALA A 48 8.109 10.956 -14.740 1.00 0.00 C ATOM 748 C ALA A 48 6.641 11.351 -14.642 1.00 0.00 C ATOM 749 O ALA A 48 6.317 12.513 -14.394 1.00 0.00 O ATOM 750 CB ALA A 48 8.801 11.134 -13.398 1.00 0.00 C ATOM 0 H ALA A 48 9.545 12.321 -15.422 1.00 0.00 H new ATOM 0 HA ALA A 48 8.154 9.903 -15.019 1.00 0.00 H new ATOM 0 HB1 ALA A 48 8.278 10.553 -12.639 1.00 0.00 H new ATOM 0 HB2 ALA A 48 9.832 10.789 -13.472 1.00 0.00 H new ATOM 0 HB3 ALA A 48 8.790 12.188 -13.120 1.00 0.00 H new ATOM 756 N ARG A 49 5.757 10.379 -14.837 1.00 0.00 N ATOM 757 CA ARG A 49 4.335 10.572 -14.577 1.00 0.00 C ATOM 758 C ARG A 49 4.049 10.605 -13.081 1.00 0.00 C ATOM 759 O ARG A 49 4.847 10.127 -12.275 1.00 0.00 O ATOM 760 CB ARG A 49 3.476 9.536 -15.285 1.00 0.00 C ATOM 761 CG ARG A 49 3.474 9.637 -16.803 1.00 0.00 C ATOM 762 CD ARG A 49 2.558 8.683 -17.479 1.00 0.00 C ATOM 763 NE ARG A 49 1.145 8.976 -17.300 1.00 0.00 N ATOM 764 CZ ARG A 49 0.141 8.154 -17.662 1.00 0.00 C ATOM 765 NH1 ARG A 49 0.386 7.006 -18.253 1.00 0.00 N ATOM 766 NH2 ARG A 49 -1.100 8.542 -17.427 1.00 0.00 N ATOM 0 H ARG A 49 6.000 9.448 -15.175 1.00 0.00 H new ATOM 0 HA ARG A 49 4.062 11.543 -14.991 1.00 0.00 H new ATOM 0 HB2 ARG A 49 3.823 8.542 -15.002 1.00 0.00 H new ATOM 0 HB3 ARG A 49 2.451 9.630 -14.928 1.00 0.00 H new ATOM 0 HG2 ARG A 49 3.197 10.652 -17.087 1.00 0.00 H new ATOM 0 HG3 ARG A 49 4.487 9.470 -17.168 1.00 0.00 H new ATOM 0 HD2 ARG A 49 2.783 8.677 -18.546 1.00 0.00 H new ATOM 0 HD3 ARG A 49 2.758 7.679 -17.105 1.00 0.00 H new ATOM 0 HE ARG A 49 0.896 9.867 -16.870 1.00 0.00 H new ATOM 0 HH11 ARG A 49 1.348 6.726 -18.444 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -0.386 6.395 -18.521 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -1.277 9.443 -16.983 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -1.881 7.941 -17.690 1.00 0.00 H new ATOM 780 N PRO A 50 2.904 11.172 -12.716 1.00 0.00 N ATOM 781 CA PRO A 50 2.511 11.271 -11.315 1.00 0.00 C ATOM 782 C PRO A 50 2.636 9.926 -10.611 1.00 0.00 C ATOM 783 O PRO A 50 3.049 9.856 -9.454 1.00 0.00 O ATOM 784 CB PRO A 50 1.061 11.763 -11.366 1.00 0.00 C ATOM 785 CG PRO A 50 0.986 12.566 -12.621 1.00 0.00 C ATOM 786 CD PRO A 50 1.880 11.857 -13.602 1.00 0.00 C ATOM 0 HA PRO A 50 3.149 11.946 -10.745 1.00 0.00 H new ATOM 0 HB2 PRO A 50 0.359 10.929 -11.385 1.00 0.00 H new ATOM 0 HB3 PRO A 50 0.815 12.367 -10.492 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -0.038 12.622 -12.991 1.00 0.00 H new ATOM 0 HG3 PRO A 50 1.320 13.590 -12.453 1.00 0.00 H new ATOM 0 HD2 PRO A 50 1.325 11.138 -14.204 1.00 0.00 H new ATOM 0 HD3 PRO A 50 2.351 12.556 -14.294 1.00 0.00 H new ATOM 794 N VAL A 51 2.275 8.859 -11.316 1.00 0.00 N ATOM 795 CA VAL A 51 2.369 7.511 -10.770 1.00 0.00 C ATOM 796 C VAL A 51 3.796 6.982 -10.851 1.00 0.00 C ATOM 797 O VAL A 51 4.280 6.328 -9.928 1.00 0.00 O ATOM 798 CB VAL A 51 1.428 6.537 -11.502 1.00 0.00 C ATOM 799 CG1 VAL A 51 1.629 5.117 -10.991 1.00 0.00 C ATOM 800 CG2 VAL A 51 -0.021 6.964 -11.328 1.00 0.00 C ATOM 0 H VAL A 51 1.914 8.903 -12.269 1.00 0.00 H new ATOM 0 HA VAL A 51 2.067 7.574 -9.724 1.00 0.00 H new ATOM 0 HB VAL A 51 1.669 6.559 -12.565 1.00 0.00 H new ATOM 0 HG11 VAL A 51 0.956 4.442 -11.519 1.00 0.00 H new ATOM 0 HG12 VAL A 51 2.661 4.810 -11.165 1.00 0.00 H new ATOM 0 HG13 VAL A 51 1.415 5.081 -9.923 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -0.672 6.264 -11.852 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -0.274 6.970 -10.268 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -0.158 7.964 -11.739 1.00 0.00 H new ATOM 810 N LYS A 52 4.465 7.268 -11.964 1.00 0.00 N ATOM 811 CA LYS A 52 5.802 6.742 -12.210 1.00 0.00 C ATOM 812 C LYS A 52 6.804 7.290 -11.201 1.00 0.00 C ATOM 813 O LYS A 52 7.805 6.643 -10.892 1.00 0.00 O ATOM 814 CB LYS A 52 6.254 7.075 -13.632 1.00 0.00 C ATOM 815 CG LYS A 52 5.526 6.300 -14.722 1.00 0.00 C ATOM 816 CD LYS A 52 6.039 6.673 -16.105 1.00 0.00 C ATOM 817 CE LYS A 52 5.347 5.861 -17.190 1.00 0.00 C ATOM 818 NZ LYS A 52 5.846 6.208 -18.548 1.00 0.00 N ATOM 0 H LYS A 52 4.102 7.862 -12.710 1.00 0.00 H new ATOM 0 HA LYS A 52 5.761 5.659 -12.095 1.00 0.00 H new ATOM 0 HB2 LYS A 52 6.112 8.142 -13.805 1.00 0.00 H new ATOM 0 HB3 LYS A 52 7.323 6.878 -13.716 1.00 0.00 H new ATOM 0 HG2 LYS A 52 5.658 5.230 -14.560 1.00 0.00 H new ATOM 0 HG3 LYS A 52 4.457 6.502 -14.662 1.00 0.00 H new ATOM 0 HD2 LYS A 52 5.873 7.736 -16.282 1.00 0.00 H new ATOM 0 HD3 LYS A 52 7.115 6.506 -16.153 1.00 0.00 H new ATOM 0 HE2 LYS A 52 5.507 4.799 -17.005 1.00 0.00 H new ATOM 0 HE3 LYS A 52 4.272 6.035 -17.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 5.349 5.633 -19.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 5.671 7.216 -18.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 6.867 6.018 -18.602 1.00 0.00 H new ATOM 832 N MET A 53 6.527 8.485 -10.689 1.00 0.00 N ATOM 833 CA MET A 53 7.371 9.094 -9.667 1.00 0.00 C ATOM 834 C MET A 53 7.464 8.209 -8.430 1.00 0.00 C ATOM 835 O MET A 53 8.556 7.932 -7.934 1.00 0.00 O ATOM 836 CB MET A 53 6.831 10.472 -9.290 1.00 0.00 C ATOM 837 CG MET A 53 7.024 11.537 -10.361 1.00 0.00 C ATOM 838 SD MET A 53 6.268 13.114 -9.917 1.00 0.00 S ATOM 839 CE MET A 53 6.740 14.123 -11.319 1.00 0.00 C ATOM 0 H MET A 53 5.725 9.051 -10.965 1.00 0.00 H new ATOM 0 HA MET A 53 8.374 9.205 -10.079 1.00 0.00 H new ATOM 0 HB2 MET A 53 5.767 10.384 -9.070 1.00 0.00 H new ATOM 0 HB3 MET A 53 7.320 10.802 -8.374 1.00 0.00 H new ATOM 0 HG2 MET A 53 8.090 11.685 -10.533 1.00 0.00 H new ATOM 0 HG3 MET A 53 6.596 11.185 -11.300 1.00 0.00 H new ATOM 0 HE1 MET A 53 6.552 15.172 -11.092 1.00 0.00 H new ATOM 0 HE2 MET A 53 7.800 13.982 -11.528 1.00 0.00 H new ATOM 0 HE3 MET A 53 6.156 13.830 -12.191 1.00 0.00 H new ATOM 849 N ALA A 54 6.312 7.768 -7.936 1.00 0.00 N ATOM 850 CA ALA A 54 6.263 6.895 -6.769 1.00 0.00 C ATOM 851 C ALA A 54 6.905 5.545 -7.062 1.00 0.00 C ATOM 852 O ALA A 54 7.632 5.000 -6.232 1.00 0.00 O ATOM 853 CB ALA A 54 4.826 6.714 -6.303 1.00 0.00 C ATOM 0 H ALA A 54 5.399 8.001 -8.326 1.00 0.00 H new ATOM 0 HA ALA A 54 6.833 7.368 -5.970 1.00 0.00 H new ATOM 0 HB1 ALA A 54 4.806 6.060 -5.431 1.00 0.00 H new ATOM 0 HB2 ALA A 54 4.404 7.684 -6.039 1.00 0.00 H new ATOM 0 HB3 ALA A 54 4.237 6.268 -7.105 1.00 0.00 H new ATOM 859 N THR A 55 6.631 5.011 -8.247 1.00 0.00 N ATOM 860 CA THR A 55 7.154 3.708 -8.639 1.00 0.00 C ATOM 861 C THR A 55 8.675 3.728 -8.725 1.00 0.00 C ATOM 862 O THR A 55 9.348 2.837 -8.205 1.00 0.00 O ATOM 863 CB THR A 55 6.580 3.252 -9.994 1.00 0.00 C ATOM 864 OG1 THR A 55 5.158 3.105 -9.887 1.00 0.00 O ATOM 865 CG2 THR A 55 7.194 1.926 -10.414 1.00 0.00 C ATOM 0 H THR A 55 6.049 5.461 -8.953 1.00 0.00 H new ATOM 0 HA THR A 55 6.845 3.002 -7.868 1.00 0.00 H new ATOM 0 HB THR A 55 6.819 4.004 -10.746 1.00 0.00 H new ATOM 0 HG1 THR A 55 4.735 3.988 -9.916 1.00 0.00 H new ATOM 0 HG21 THR A 55 6.777 1.619 -11.373 1.00 0.00 H new ATOM 0 HG22 THR A 55 8.274 2.039 -10.507 1.00 0.00 H new ATOM 0 HG23 THR A 55 6.972 1.168 -9.663 1.00 0.00 H new ATOM 873 N LEU A 56 9.212 4.749 -9.385 1.00 0.00 N ATOM 874 CA LEU A 56 10.651 4.853 -9.595 1.00 0.00 C ATOM 875 C LEU A 56 11.389 5.038 -8.275 1.00 0.00 C ATOM 876 O LEU A 56 12.469 4.483 -8.075 1.00 0.00 O ATOM 877 CB LEU A 56 10.964 6.012 -10.549 1.00 0.00 C ATOM 878 CG LEU A 56 10.535 5.793 -12.005 1.00 0.00 C ATOM 879 CD1 LEU A 56 10.689 7.086 -12.795 1.00 0.00 C ATOM 880 CD2 LEU A 56 11.370 4.682 -12.621 1.00 0.00 C ATOM 0 H LEU A 56 8.672 5.517 -9.784 1.00 0.00 H new ATOM 0 HA LEU A 56 10.996 3.922 -10.044 1.00 0.00 H new ATOM 0 HB2 LEU A 56 10.476 6.912 -10.175 1.00 0.00 H new ATOM 0 HB3 LEU A 56 12.038 6.199 -10.528 1.00 0.00 H new ATOM 0 HG LEU A 56 9.486 5.499 -12.034 1.00 0.00 H new ATOM 0 HD11 LEU A 56 10.382 6.920 -13.828 1.00 0.00 H new ATOM 0 HD12 LEU A 56 10.064 7.861 -12.350 1.00 0.00 H new ATOM 0 HD13 LEU A 56 11.731 7.404 -12.773 1.00 0.00 H new ATOM 0 HD21 LEU A 56 11.064 4.528 -13.656 1.00 0.00 H new ATOM 0 HD22 LEU A 56 12.424 4.960 -12.592 1.00 0.00 H new ATOM 0 HD23 LEU A 56 11.222 3.761 -12.058 1.00 0.00 H new ATOM 892 N LEU A 57 10.800 5.822 -7.379 1.00 0.00 N ATOM 893 CA LEU A 57 11.402 6.083 -6.077 1.00 0.00 C ATOM 894 C LEU A 57 11.501 4.808 -5.250 1.00 0.00 C ATOM 895 O LEU A 57 12.528 4.540 -4.625 1.00 0.00 O ATOM 896 CB LEU A 57 10.593 7.145 -5.323 1.00 0.00 C ATOM 897 CG LEU A 57 10.716 8.572 -5.872 1.00 0.00 C ATOM 898 CD1 LEU A 57 9.688 9.478 -5.209 1.00 0.00 C ATOM 899 CD2 LEU A 57 12.127 9.090 -5.629 1.00 0.00 C ATOM 0 H LEU A 57 9.906 6.288 -7.531 1.00 0.00 H new ATOM 0 HA LEU A 57 12.413 6.457 -6.241 1.00 0.00 H new ATOM 0 HB2 LEU A 57 9.542 6.856 -5.338 1.00 0.00 H new ATOM 0 HB3 LEU A 57 10.908 7.146 -4.280 1.00 0.00 H new ATOM 0 HG LEU A 57 10.523 8.566 -6.945 1.00 0.00 H new ATOM 0 HD11 LEU A 57 9.784 10.489 -5.606 1.00 0.00 H new ATOM 0 HD12 LEU A 57 8.686 9.102 -5.413 1.00 0.00 H new ATOM 0 HD13 LEU A 57 9.857 9.493 -4.132 1.00 0.00 H new ATOM 0 HD21 LEU A 57 12.215 10.104 -6.019 1.00 0.00 H new ATOM 0 HD22 LEU A 57 12.334 9.094 -4.559 1.00 0.00 H new ATOM 0 HD23 LEU A 57 12.844 8.443 -6.135 1.00 0.00 H new ATOM 911 N VAL A 58 10.430 4.022 -5.253 1.00 0.00 N ATOM 912 CA VAL A 58 10.410 2.750 -4.538 1.00 0.00 C ATOM 913 C VAL A 58 11.369 1.749 -5.169 1.00 0.00 C ATOM 914 O VAL A 58 11.998 0.953 -4.472 1.00 0.00 O ATOM 915 CB VAL A 58 8.996 2.142 -4.505 1.00 0.00 C ATOM 916 CG1 VAL A 58 9.039 0.723 -3.959 1.00 0.00 C ATOM 917 CG2 VAL A 58 8.064 3.006 -3.669 1.00 0.00 C ATOM 0 H VAL A 58 9.563 4.243 -5.743 1.00 0.00 H new ATOM 0 HA VAL A 58 10.728 2.959 -3.517 1.00 0.00 H new ATOM 0 HB VAL A 58 8.612 2.108 -5.525 1.00 0.00 H new ATOM 0 HG11 VAL A 58 8.031 0.309 -3.943 1.00 0.00 H new ATOM 0 HG12 VAL A 58 9.674 0.107 -4.596 1.00 0.00 H new ATOM 0 HG13 VAL A 58 9.443 0.735 -2.947 1.00 0.00 H new ATOM 0 HG21 VAL A 58 7.069 2.561 -3.657 1.00 0.00 H new ATOM 0 HG22 VAL A 58 8.445 3.071 -2.650 1.00 0.00 H new ATOM 0 HG23 VAL A 58 8.009 4.005 -4.101 1.00 0.00 H new ATOM 927 N THR A 59 11.475 1.793 -6.493 1.00 0.00 N ATOM 928 CA THR A 59 12.316 0.854 -7.226 1.00 0.00 C ATOM 929 C THR A 59 13.795 1.133 -6.984 1.00 0.00 C ATOM 930 O THR A 59 14.562 0.229 -6.654 1.00 0.00 O ATOM 931 CB THR A 59 12.036 0.905 -8.739 1.00 0.00 C ATOM 932 OG1 THR A 59 10.684 0.501 -8.990 1.00 0.00 O ATOM 933 CG2 THR A 59 12.985 -0.017 -9.490 1.00 0.00 C ATOM 0 H THR A 59 10.988 2.470 -7.081 1.00 0.00 H new ATOM 0 HA THR A 59 12.071 -0.141 -6.854 1.00 0.00 H new ATOM 0 HB THR A 59 12.189 1.927 -9.087 1.00 0.00 H new ATOM 0 HG1 THR A 59 10.075 1.233 -8.756 1.00 0.00 H new ATOM 0 HG21 THR A 59 12.772 0.033 -10.558 1.00 0.00 H new ATOM 0 HG22 THR A 59 14.014 0.295 -9.311 1.00 0.00 H new ATOM 0 HG23 THR A 59 12.850 -1.041 -9.140 1.00 0.00 H new ATOM 941 N TYR A 60 14.188 2.391 -7.151 1.00 0.00 N ATOM 942 CA TYR A 60 15.600 2.751 -7.209 1.00 0.00 C ATOM 943 C TYR A 60 16.163 3.005 -5.817 1.00 0.00 C ATOM 944 O TYR A 60 17.324 2.704 -5.542 1.00 0.00 O ATOM 945 CB TYR A 60 15.802 3.985 -8.090 1.00 0.00 C ATOM 946 CG TYR A 60 15.851 3.681 -9.571 1.00 0.00 C ATOM 947 CD1 TYR A 60 14.689 3.621 -10.326 1.00 0.00 C ATOM 948 CD2 TYR A 60 17.061 3.455 -10.211 1.00 0.00 C ATOM 949 CE1 TYR A 60 14.729 3.343 -11.679 1.00 0.00 C ATOM 950 CE2 TYR A 60 17.113 3.177 -11.563 1.00 0.00 C ATOM 951 CZ TYR A 60 15.944 3.121 -12.294 1.00 0.00 C ATOM 952 OH TYR A 60 15.990 2.846 -13.641 1.00 0.00 O ATOM 0 H TYR A 60 13.548 3.179 -7.249 1.00 0.00 H new ATOM 0 HA TYR A 60 16.139 1.911 -7.646 1.00 0.00 H new ATOM 0 HB2 TYR A 60 14.993 4.690 -7.901 1.00 0.00 H new ATOM 0 HB3 TYR A 60 16.730 4.478 -7.800 1.00 0.00 H new ATOM 0 HD1 TYR A 60 13.736 3.795 -9.848 1.00 0.00 H new ATOM 0 HD2 TYR A 60 17.978 3.497 -9.642 1.00 0.00 H new ATOM 0 HE1 TYR A 60 13.814 3.300 -12.252 1.00 0.00 H new ATOM 0 HE2 TYR A 60 18.064 3.004 -12.045 1.00 0.00 H new ATOM 0 HH TYR A 60 16.921 2.716 -13.917 1.00 0.00 H new ATOM 962 N TYR A 61 15.332 3.559 -4.941 1.00 0.00 N ATOM 963 CA TYR A 61 15.766 3.923 -3.597 1.00 0.00 C ATOM 964 C TYR A 61 15.204 2.962 -2.558 1.00 0.00 C ATOM 965 O TYR A 61 15.933 2.467 -1.697 1.00 0.00 O ATOM 966 CB TYR A 61 15.345 5.357 -3.268 1.00 0.00 C ATOM 967 CG TYR A 61 15.942 6.398 -4.189 1.00 0.00 C ATOM 968 CD1 TYR A 61 17.263 6.797 -4.049 1.00 0.00 C ATOM 969 CD2 TYR A 61 15.182 6.980 -5.194 1.00 0.00 C ATOM 970 CE1 TYR A 61 17.814 7.747 -4.887 1.00 0.00 C ATOM 971 CE2 TYR A 61 15.724 7.931 -6.038 1.00 0.00 C ATOM 972 CZ TYR A 61 17.041 8.312 -5.880 1.00 0.00 C ATOM 973 OH TYR A 61 17.584 9.260 -6.717 1.00 0.00 O ATOM 0 H TYR A 61 14.353 3.766 -5.138 1.00 0.00 H new ATOM 0 HA TYR A 61 16.854 3.858 -3.569 1.00 0.00 H new ATOM 0 HB2 TYR A 61 14.258 5.426 -3.314 1.00 0.00 H new ATOM 0 HB3 TYR A 61 15.635 5.584 -2.242 1.00 0.00 H new ATOM 0 HD1 TYR A 61 17.871 6.358 -3.272 1.00 0.00 H new ATOM 0 HD2 TYR A 61 14.151 6.685 -5.319 1.00 0.00 H new ATOM 0 HE1 TYR A 61 18.845 8.046 -4.765 1.00 0.00 H new ATOM 0 HE2 TYR A 61 15.120 8.373 -6.817 1.00 0.00 H new ATOM 0 HH TYR A 61 16.906 9.555 -7.361 1.00 0.00 H new ATOM 983 N GLY A 62 13.905 2.701 -2.642 1.00 0.00 N ATOM 984 CA GLY A 62 13.248 1.776 -1.726 1.00 0.00 C ATOM 985 C GLY A 62 12.017 2.411 -1.089 1.00 0.00 C ATOM 986 O GLY A 62 11.810 3.620 -1.190 1.00 0.00 O ATOM 0 H GLY A 62 13.285 3.118 -3.336 1.00 0.00 H new ATOM 0 HA2 GLY A 62 12.958 0.873 -2.263 1.00 0.00 H new ATOM 0 HA3 GLY A 62 13.948 1.473 -0.947 1.00 0.00 H new ATOM 990 N GLU A 63 11.205 1.588 -0.436 1.00 0.00 N ATOM 991 CA GLU A 63 9.945 2.050 0.136 1.00 0.00 C ATOM 992 C GLU A 63 10.181 3.107 1.207 1.00 0.00 C ATOM 993 O GLU A 63 9.492 4.126 1.249 1.00 0.00 O ATOM 994 CB GLU A 63 9.161 0.874 0.723 1.00 0.00 C ATOM 995 CG GLU A 63 8.593 -0.083 -0.315 1.00 0.00 C ATOM 996 CD GLU A 63 7.982 -1.293 0.334 1.00 0.00 C ATOM 997 OE1 GLU A 63 8.069 -1.408 1.532 1.00 0.00 O ATOM 998 OE2 GLU A 63 7.330 -2.045 -0.352 1.00 0.00 O ATOM 0 H GLU A 63 11.396 0.597 -0.289 1.00 0.00 H new ATOM 0 HA GLU A 63 9.361 2.501 -0.666 1.00 0.00 H new ATOM 0 HB2 GLU A 63 9.814 0.317 1.395 1.00 0.00 H new ATOM 0 HB3 GLU A 63 8.342 1.264 1.327 1.00 0.00 H new ATOM 0 HG2 GLU A 63 7.840 0.431 -0.913 1.00 0.00 H new ATOM 0 HG3 GLU A 63 9.384 -0.394 -0.997 1.00 0.00 H new ATOM 1005 N GLU A 64 11.159 2.860 2.071 1.00 0.00 N ATOM 1006 CA GLU A 64 11.417 3.735 3.209 1.00 0.00 C ATOM 1007 C GLU A 64 12.027 5.056 2.760 1.00 0.00 C ATOM 1008 O GLU A 64 11.574 6.128 3.160 1.00 0.00 O ATOM 1009 CB GLU A 64 12.337 3.046 4.218 1.00 0.00 C ATOM 1010 CG GLU A 64 11.699 1.879 4.957 1.00 0.00 C ATOM 1011 CD GLU A 64 12.697 1.172 5.831 1.00 0.00 C ATOM 1012 OE1 GLU A 64 13.845 1.549 5.812 1.00 0.00 O ATOM 1013 OE2 GLU A 64 12.296 0.332 6.599 1.00 0.00 O ATOM 0 H GLU A 64 11.788 2.059 2.005 1.00 0.00 H new ATOM 0 HA GLU A 64 10.462 3.947 3.690 1.00 0.00 H new ATOM 0 HB2 GLU A 64 13.225 2.688 3.696 1.00 0.00 H new ATOM 0 HB3 GLU A 64 12.672 3.783 4.948 1.00 0.00 H new ATOM 0 HG2 GLU A 64 10.871 2.241 5.567 1.00 0.00 H new ATOM 0 HG3 GLU A 64 11.281 1.175 4.237 1.00 0.00 H new ATOM 1020 N TYR A 65 13.059 4.972 1.926 1.00 0.00 N ATOM 1021 CA TYR A 65 13.766 6.159 1.461 1.00 0.00 C ATOM 1022 C TYR A 65 12.877 7.018 0.571 1.00 0.00 C ATOM 1023 O TYR A 65 12.963 8.245 0.590 1.00 0.00 O ATOM 1024 CB TYR A 65 15.038 5.762 0.707 1.00 0.00 C ATOM 1025 CG TYR A 65 15.990 6.913 0.463 1.00 0.00 C ATOM 1026 CD1 TYR A 65 16.940 7.265 1.410 1.00 0.00 C ATOM 1027 CD2 TYR A 65 15.936 7.642 -0.715 1.00 0.00 C ATOM 1028 CE1 TYR A 65 17.811 8.314 1.193 1.00 0.00 C ATOM 1029 CE2 TYR A 65 16.802 8.694 -0.943 1.00 0.00 C ATOM 1030 CZ TYR A 65 17.739 9.027 0.013 1.00 0.00 C ATOM 1031 OH TYR A 65 18.605 10.073 -0.210 1.00 0.00 O ATOM 0 H TYR A 65 13.424 4.093 1.558 1.00 0.00 H new ATOM 0 HA TYR A 65 14.041 6.748 2.336 1.00 0.00 H new ATOM 0 HB2 TYR A 65 15.557 4.988 1.272 1.00 0.00 H new ATOM 0 HB3 TYR A 65 14.759 5.324 -0.252 1.00 0.00 H new ATOM 0 HD1 TYR A 65 17.000 6.709 2.334 1.00 0.00 H new ATOM 0 HD2 TYR A 65 15.205 7.383 -1.467 1.00 0.00 H new ATOM 0 HE1 TYR A 65 18.544 8.575 1.942 1.00 0.00 H new ATOM 0 HE2 TYR A 65 16.746 9.253 -1.865 1.00 0.00 H new ATOM 0 HH TYR A 65 18.422 10.468 -1.088 1.00 0.00 H new ATOM 1041 N ALA A 66 12.023 6.364 -0.210 1.00 0.00 N ATOM 1042 CA ALA A 66 11.092 7.067 -1.083 1.00 0.00 C ATOM 1043 C ALA A 66 10.178 7.988 -0.286 1.00 0.00 C ATOM 1044 O ALA A 66 9.932 9.128 -0.679 1.00 0.00 O ATOM 1045 CB ALA A 66 10.272 6.074 -1.894 1.00 0.00 C ATOM 0 H ALA A 66 11.957 5.347 -0.256 1.00 0.00 H new ATOM 0 HA ALA A 66 11.673 7.683 -1.769 1.00 0.00 H new ATOM 0 HB1 ALA A 66 9.581 6.615 -2.541 1.00 0.00 H new ATOM 0 HB2 ALA A 66 10.938 5.464 -2.504 1.00 0.00 H new ATOM 0 HB3 ALA A 66 9.708 5.431 -1.219 1.00 0.00 H new ATOM 1051 N VAL A 67 9.675 7.488 0.839 1.00 0.00 N ATOM 1052 CA VAL A 67 8.784 8.264 1.692 1.00 0.00 C ATOM 1053 C VAL A 67 9.518 9.431 2.339 1.00 0.00 C ATOM 1054 O VAL A 67 9.015 10.554 2.368 1.00 0.00 O ATOM 1055 CB VAL A 67 8.155 7.390 2.794 1.00 0.00 C ATOM 1056 CG1 VAL A 67 7.416 8.257 3.803 1.00 0.00 C ATOM 1057 CG2 VAL A 67 7.213 6.363 2.187 1.00 0.00 C ATOM 0 H VAL A 67 9.870 6.547 1.181 1.00 0.00 H new ATOM 0 HA VAL A 67 7.992 8.650 1.050 1.00 0.00 H new ATOM 0 HB VAL A 67 8.955 6.861 3.312 1.00 0.00 H new ATOM 0 HG11 VAL A 67 6.978 7.624 4.575 1.00 0.00 H new ATOM 0 HG12 VAL A 67 8.114 8.957 4.261 1.00 0.00 H new ATOM 0 HG13 VAL A 67 6.626 8.812 3.297 1.00 0.00 H new ATOM 0 HG21 VAL A 67 6.778 5.755 2.980 1.00 0.00 H new ATOM 0 HG22 VAL A 67 6.418 6.874 1.644 1.00 0.00 H new ATOM 0 HG23 VAL A 67 7.767 5.722 1.501 1.00 0.00 H new ATOM 1067 N GLN A 68 10.711 9.159 2.859 1.00 0.00 N ATOM 1068 CA GLN A 68 11.508 10.181 3.523 1.00 0.00 C ATOM 1069 C GLN A 68 11.966 11.250 2.538 1.00 0.00 C ATOM 1070 O GLN A 68 11.905 12.444 2.831 1.00 0.00 O ATOM 1071 CB GLN A 68 12.727 9.552 4.205 1.00 0.00 C ATOM 1072 CG GLN A 68 12.391 8.707 5.423 1.00 0.00 C ATOM 1073 CD GLN A 68 13.613 8.026 6.009 1.00 0.00 C ATOM 1074 OE1 GLN A 68 14.715 8.118 5.462 1.00 0.00 O ATOM 1075 NE2 GLN A 68 13.424 7.334 7.126 1.00 0.00 N ATOM 0 H GLN A 68 11.146 8.237 2.832 1.00 0.00 H new ATOM 0 HA GLN A 68 10.878 10.653 4.277 1.00 0.00 H new ATOM 0 HB2 GLN A 68 13.255 8.932 3.481 1.00 0.00 H new ATOM 0 HB3 GLN A 68 13.412 10.345 4.505 1.00 0.00 H new ATOM 0 HG2 GLN A 68 11.930 9.338 6.183 1.00 0.00 H new ATOM 0 HG3 GLN A 68 11.655 7.952 5.146 1.00 0.00 H new ATOM 0 HE21 GLN A 68 12.495 7.285 7.544 1.00 0.00 H new ATOM 0 HE22 GLN A 68 14.208 6.852 7.566 1.00 0.00 H new ATOM 1084 N LEU A 69 12.423 10.813 1.370 1.00 0.00 N ATOM 1085 CA LEU A 69 12.858 11.733 0.325 1.00 0.00 C ATOM 1086 C LEU A 69 11.701 12.589 -0.172 1.00 0.00 C ATOM 1087 O LEU A 69 11.799 13.815 -0.218 1.00 0.00 O ATOM 1088 CB LEU A 69 13.485 10.954 -0.838 1.00 0.00 C ATOM 1089 CG LEU A 69 13.905 11.806 -2.042 1.00 0.00 C ATOM 1090 CD1 LEU A 69 14.971 12.811 -1.625 1.00 0.00 C ATOM 1091 CD2 LEU A 69 14.421 10.902 -3.151 1.00 0.00 C ATOM 0 H LEU A 69 12.502 9.827 1.123 1.00 0.00 H new ATOM 0 HA LEU A 69 13.608 12.399 0.751 1.00 0.00 H new ATOM 0 HB2 LEU A 69 14.360 10.421 -0.467 1.00 0.00 H new ATOM 0 HB3 LEU A 69 12.773 10.201 -1.176 1.00 0.00 H new ATOM 0 HG LEU A 69 13.042 12.359 -2.414 1.00 0.00 H new ATOM 0 HD11 LEU A 69 15.262 13.411 -2.487 1.00 0.00 H new ATOM 0 HD12 LEU A 69 14.572 13.463 -0.847 1.00 0.00 H new ATOM 0 HD13 LEU A 69 15.842 12.280 -1.242 1.00 0.00 H new ATOM 0 HD21 LEU A 69 14.719 11.509 -4.006 1.00 0.00 H new ATOM 0 HD22 LEU A 69 15.280 10.337 -2.790 1.00 0.00 H new ATOM 0 HD23 LEU A 69 13.634 10.211 -3.453 1.00 0.00 H new ATOM 1103 N THR A 70 10.605 11.936 -0.542 1.00 0.00 N ATOM 1104 CA THR A 70 9.434 12.636 -1.056 1.00 0.00 C ATOM 1105 C THR A 70 8.922 13.663 -0.054 1.00 0.00 C ATOM 1106 O THR A 70 8.595 14.792 -0.420 1.00 0.00 O ATOM 1107 CB THR A 70 8.295 11.656 -1.398 1.00 0.00 C ATOM 1108 OG1 THR A 70 8.720 10.773 -2.445 1.00 0.00 O ATOM 1109 CG2 THR A 70 7.058 12.415 -1.851 1.00 0.00 C ATOM 0 H THR A 70 10.503 10.922 -0.495 1.00 0.00 H new ATOM 0 HA THR A 70 9.748 13.146 -1.966 1.00 0.00 H new ATOM 0 HB THR A 70 8.049 11.081 -0.505 1.00 0.00 H new ATOM 0 HG1 THR A 70 9.238 10.036 -2.061 1.00 0.00 H new ATOM 0 HG21 THR A 70 6.264 11.707 -2.088 1.00 0.00 H new ATOM 0 HG22 THR A 70 6.726 13.079 -1.053 1.00 0.00 H new ATOM 0 HG23 THR A 70 7.296 13.004 -2.737 1.00 0.00 H new ATOM 1117 N LEU A 71 8.855 13.265 1.212 1.00 0.00 N ATOM 1118 CA LEU A 71 8.402 14.157 2.272 1.00 0.00 C ATOM 1119 C LEU A 71 9.186 15.464 2.265 1.00 0.00 C ATOM 1120 O LEU A 71 8.606 16.548 2.306 1.00 0.00 O ATOM 1121 CB LEU A 71 8.528 13.466 3.635 1.00 0.00 C ATOM 1122 CG LEU A 71 7.861 14.203 4.805 1.00 0.00 C ATOM 1123 CD1 LEU A 71 7.722 13.268 5.999 1.00 0.00 C ATOM 1124 CD2 LEU A 71 8.685 15.428 5.171 1.00 0.00 C ATOM 0 H LEU A 71 9.109 12.329 1.529 1.00 0.00 H new ATOM 0 HA LEU A 71 7.354 14.394 2.091 1.00 0.00 H new ATOM 0 HB2 LEU A 71 8.095 12.469 3.560 1.00 0.00 H new ATOM 0 HB3 LEU A 71 9.586 13.338 3.863 1.00 0.00 H new ATOM 0 HG LEU A 71 6.864 14.528 4.509 1.00 0.00 H new ATOM 0 HD11 LEU A 71 7.248 13.800 6.824 1.00 0.00 H new ATOM 0 HD12 LEU A 71 7.110 12.410 5.720 1.00 0.00 H new ATOM 0 HD13 LEU A 71 8.709 12.924 6.308 1.00 0.00 H new ATOM 0 HD21 LEU A 71 8.211 15.951 6.002 1.00 0.00 H new ATOM 0 HD22 LEU A 71 9.688 15.118 5.463 1.00 0.00 H new ATOM 0 HD23 LEU A 71 8.747 16.095 4.311 1.00 0.00 H new ATOM 1136 N GLN A 72 10.510 15.352 2.215 1.00 0.00 N ATOM 1137 CA GLN A 72 11.378 16.523 2.237 1.00 0.00 C ATOM 1138 C GLN A 72 11.180 17.381 0.994 1.00 0.00 C ATOM 1139 O GLN A 72 11.177 18.609 1.069 1.00 0.00 O ATOM 1140 CB GLN A 72 12.846 16.101 2.344 1.00 0.00 C ATOM 1141 CG GLN A 72 13.229 15.523 3.696 1.00 0.00 C ATOM 1142 CD GLN A 72 14.656 15.006 3.721 1.00 0.00 C ATOM 1143 OE1 GLN A 72 15.349 15.007 2.700 1.00 0.00 O ATOM 1144 NE2 GLN A 72 15.102 14.558 4.889 1.00 0.00 N ATOM 0 H GLN A 72 11.005 14.462 2.159 1.00 0.00 H new ATOM 0 HA GLN A 72 11.110 17.116 3.112 1.00 0.00 H new ATOM 0 HB2 GLN A 72 13.057 15.361 1.572 1.00 0.00 H new ATOM 0 HB3 GLN A 72 13.477 16.966 2.139 1.00 0.00 H new ATOM 0 HG2 GLN A 72 13.109 16.289 4.463 1.00 0.00 H new ATOM 0 HG3 GLN A 72 12.547 14.711 3.947 1.00 0.00 H new ATOM 0 HE21 GLN A 72 14.494 14.576 5.708 1.00 0.00 H new ATOM 0 HE22 GLN A 72 16.052 14.196 4.967 1.00 0.00 H new ATOM 1153 N VAL A 73 11.014 16.724 -0.150 1.00 0.00 N ATOM 1154 CA VAL A 73 10.805 17.426 -1.412 1.00 0.00 C ATOM 1155 C VAL A 73 9.459 18.138 -1.429 1.00 0.00 C ATOM 1156 O VAL A 73 9.343 19.253 -1.938 1.00 0.00 O ATOM 1157 CB VAL A 73 10.880 16.463 -2.612 1.00 0.00 C ATOM 1158 CG1 VAL A 73 10.466 17.175 -3.892 1.00 0.00 C ATOM 1159 CG2 VAL A 73 12.284 15.894 -2.751 1.00 0.00 C ATOM 0 H VAL A 73 11.020 15.707 -0.229 1.00 0.00 H new ATOM 0 HA VAL A 73 11.603 18.163 -1.498 1.00 0.00 H new ATOM 0 HB VAL A 73 10.189 15.638 -2.436 1.00 0.00 H new ATOM 0 HG11 VAL A 73 10.525 16.480 -4.730 1.00 0.00 H new ATOM 0 HG12 VAL A 73 9.443 17.538 -3.792 1.00 0.00 H new ATOM 0 HG13 VAL A 73 11.134 18.018 -4.072 1.00 0.00 H new ATOM 0 HG21 VAL A 73 12.319 15.216 -3.604 1.00 0.00 H new ATOM 0 HG22 VAL A 73 12.993 16.708 -2.905 1.00 0.00 H new ATOM 0 HG23 VAL A 73 12.548 15.350 -1.844 1.00 0.00 H new ATOM 1169 N LEU A 74 8.444 17.489 -0.870 1.00 0.00 N ATOM 1170 CA LEU A 74 7.109 18.072 -0.795 1.00 0.00 C ATOM 1171 C LEU A 74 7.136 19.421 -0.087 1.00 0.00 C ATOM 1172 O LEU A 74 6.526 20.386 -0.546 1.00 0.00 O ATOM 1173 CB LEU A 74 6.151 17.112 -0.079 1.00 0.00 C ATOM 1174 CG LEU A 74 5.725 15.885 -0.896 1.00 0.00 C ATOM 1175 CD1 LEU A 74 4.995 14.891 -0.003 1.00 0.00 C ATOM 1176 CD2 LEU A 74 4.837 16.325 -2.050 1.00 0.00 C ATOM 0 H LEU A 74 8.520 16.557 -0.461 1.00 0.00 H new ATOM 0 HA LEU A 74 6.753 18.234 -1.812 1.00 0.00 H new ATOM 0 HB2 LEU A 74 6.625 16.770 0.841 1.00 0.00 H new ATOM 0 HB3 LEU A 74 5.257 17.665 0.210 1.00 0.00 H new ATOM 0 HG LEU A 74 6.610 15.394 -1.302 1.00 0.00 H new ATOM 0 HD11 LEU A 74 4.697 14.024 -0.592 1.00 0.00 H new ATOM 0 HD12 LEU A 74 5.656 14.572 0.803 1.00 0.00 H new ATOM 0 HD13 LEU A 74 4.109 15.364 0.420 1.00 0.00 H new ATOM 0 HD21 LEU A 74 4.535 15.453 -2.630 1.00 0.00 H new ATOM 0 HD22 LEU A 74 3.951 16.824 -1.658 1.00 0.00 H new ATOM 0 HD23 LEU A 74 5.388 17.014 -2.691 1.00 0.00 H new ATOM 1188 N ARG A 75 7.847 19.480 1.034 1.00 0.00 N ATOM 1189 CA ARG A 75 8.059 20.738 1.741 1.00 0.00 C ATOM 1190 C ARG A 75 8.849 21.722 0.888 1.00 0.00 C ATOM 1191 O ARG A 75 8.585 22.924 0.905 1.00 0.00 O ATOM 1192 CB ARG A 75 8.710 20.530 3.100 1.00 0.00 C ATOM 1193 CG ARG A 75 8.933 21.801 3.903 1.00 0.00 C ATOM 1194 CD ARG A 75 9.453 21.575 5.276 1.00 0.00 C ATOM 1195 NE ARG A 75 9.737 22.791 6.021 1.00 0.00 N ATOM 1196 CZ ARG A 75 10.302 22.825 7.244 1.00 0.00 C ATOM 1197 NH1 ARG A 75 10.610 21.715 7.879 1.00 0.00 N ATOM 1198 NH2 ARG A 75 10.516 24.004 7.800 1.00 0.00 N ATOM 0 H ARG A 75 8.286 18.671 1.473 1.00 0.00 H new ATOM 0 HA ARG A 75 7.076 21.171 1.927 1.00 0.00 H new ATOM 0 HB2 ARG A 75 8.088 19.852 3.685 1.00 0.00 H new ATOM 0 HB3 ARG A 75 9.671 20.036 2.955 1.00 0.00 H new ATOM 0 HG2 ARG A 75 9.632 22.440 3.363 1.00 0.00 H new ATOM 0 HG3 ARG A 75 7.991 22.345 3.969 1.00 0.00 H new ATOM 0 HD2 ARG A 75 8.726 20.984 5.833 1.00 0.00 H new ATOM 0 HD3 ARG A 75 10.365 20.982 5.212 1.00 0.00 H new ATOM 0 HE ARG A 75 9.491 23.681 5.587 1.00 0.00 H new ATOM 0 HH11 ARG A 75 10.422 20.811 7.446 1.00 0.00 H new ATOM 0 HH12 ARG A 75 11.037 21.758 8.804 1.00 0.00 H new ATOM 0 HH21 ARG A 75 10.255 24.856 7.304 1.00 0.00 H new ATOM 0 HH22 ARG A 75 10.942 24.062 8.725 1.00 0.00 H new ATOM 1212 N ALA A 76 9.820 21.204 0.143 1.00 0.00 N ATOM 1213 CA ALA A 76 10.667 22.040 -0.700 1.00 0.00 C ATOM 1214 C ALA A 76 9.861 22.698 -1.812 1.00 0.00 C ATOM 1215 O ALA A 76 10.217 23.770 -2.301 1.00 0.00 O ATOM 1216 CB ALA A 76 11.809 21.221 -1.282 1.00 0.00 C ATOM 0 H ALA A 76 10.040 20.209 0.106 1.00 0.00 H new ATOM 0 HA ALA A 76 11.085 22.831 -0.077 1.00 0.00 H new ATOM 0 HB1 ALA A 76 12.432 21.859 -1.909 1.00 0.00 H new ATOM 0 HB2 ALA A 76 12.411 20.809 -0.472 1.00 0.00 H new ATOM 0 HB3 ALA A 76 11.404 20.407 -1.883 1.00 0.00 H new ATOM 1222 N ILE A 77 8.771 22.049 -2.209 1.00 0.00 N ATOM 1223 CA ILE A 77 7.940 22.542 -3.300 1.00 0.00 C ATOM 1224 C ILE A 77 6.649 23.159 -2.775 1.00 0.00 C ATOM 1225 O ILE A 77 5.652 23.240 -3.493 1.00 0.00 O ATOM 1226 CB ILE A 77 7.594 21.423 -4.299 1.00 0.00 C ATOM 1227 CG1 ILE A 77 6.766 20.333 -3.613 1.00 0.00 C ATOM 1228 CG2 ILE A 77 8.862 20.833 -4.898 1.00 0.00 C ATOM 1229 CD1 ILE A 77 6.179 19.320 -4.569 1.00 0.00 C ATOM 0 H ILE A 77 8.443 21.179 -1.790 1.00 0.00 H new ATOM 0 HA ILE A 77 8.521 23.307 -3.815 1.00 0.00 H new ATOM 0 HB ILE A 77 7.000 21.851 -5.106 1.00 0.00 H new ATOM 0 HG12 ILE A 77 7.394 19.814 -2.889 1.00 0.00 H new ATOM 0 HG13 ILE A 77 5.957 20.802 -3.054 1.00 0.00 H new ATOM 0 HG21 ILE A 77 8.599 20.043 -5.602 1.00 0.00 H new ATOM 0 HG22 ILE A 77 9.416 21.614 -5.419 1.00 0.00 H new ATOM 0 HG23 ILE A 77 9.481 20.418 -4.103 1.00 0.00 H new ATOM 0 HD11 ILE A 77 5.606 18.581 -4.009 1.00 0.00 H new ATOM 0 HD12 ILE A 77 5.523 19.826 -5.278 1.00 0.00 H new ATOM 0 HD13 ILE A 77 6.983 18.822 -5.111 1.00 0.00 H new ATOM 1241 N ASN A 78 6.675 23.590 -1.520 1.00 0.00 N ATOM 1242 CA ASN A 78 5.572 24.356 -0.950 1.00 0.00 C ATOM 1243 C ASN A 78 4.328 23.491 -0.788 1.00 0.00 C ATOM 1244 O ASN A 78 3.211 23.939 -1.048 1.00 0.00 O ATOM 1245 CB ASN A 78 5.255 25.580 -1.789 1.00 0.00 C ATOM 1246 CG ASN A 78 6.316 26.644 -1.733 1.00 0.00 C ATOM 1247 OD1 ASN A 78 7.085 26.731 -0.769 1.00 0.00 O ATOM 1248 ND2 ASN A 78 6.308 27.501 -2.721 1.00 0.00 N ATOM 0 H ASN A 78 7.448 23.422 -0.876 1.00 0.00 H new ATOM 0 HA ASN A 78 5.889 24.693 0.037 1.00 0.00 H new ATOM 0 HB2 ASN A 78 5.116 25.273 -2.825 1.00 0.00 H new ATOM 0 HB3 ASN A 78 4.309 26.005 -1.453 1.00 0.00 H new ATOM 0 HD21 ASN A 78 6.958 28.287 -2.719 1.00 0.00 H new ATOM 0 HD22 ASN A 78 5.652 27.383 -3.493 1.00 0.00 H new ATOM 1255 N GLN A 79 4.529 22.251 -0.357 1.00 0.00 N ATOM 1256 CA GLN A 79 3.418 21.378 0.007 1.00 0.00 C ATOM 1257 C GLN A 79 3.644 20.741 1.372 1.00 0.00 C ATOM 1258 O GLN A 79 3.867 19.534 1.476 1.00 0.00 O ATOM 1259 CB GLN A 79 3.227 20.284 -1.048 1.00 0.00 C ATOM 1260 CG GLN A 79 2.804 20.804 -2.412 1.00 0.00 C ATOM 1261 CD GLN A 79 1.414 21.410 -2.394 1.00 0.00 C ATOM 1262 OE1 GLN A 79 0.609 21.129 -1.502 1.00 0.00 O ATOM 1263 NE2 GLN A 79 1.121 22.247 -3.384 1.00 0.00 N ATOM 0 H GLN A 79 5.451 21.827 -0.251 1.00 0.00 H new ATOM 0 HA GLN A 79 2.518 21.990 0.055 1.00 0.00 H new ATOM 0 HB2 GLN A 79 4.160 19.731 -1.155 1.00 0.00 H new ATOM 0 HB3 GLN A 79 2.477 19.578 -0.692 1.00 0.00 H new ATOM 0 HG2 GLN A 79 3.520 21.553 -2.750 1.00 0.00 H new ATOM 0 HG3 GLN A 79 2.832 19.988 -3.134 1.00 0.00 H new ATOM 0 HE21 GLN A 79 1.817 22.452 -4.101 1.00 0.00 H new ATOM 0 HE22 GLN A 79 0.201 22.685 -3.426 1.00 0.00 H new ATOM 1272 N ARG A 80 3.584 21.558 2.418 1.00 0.00 N ATOM 1273 CA ARG A 80 3.742 21.069 3.782 1.00 0.00 C ATOM 1274 C ARG A 80 2.600 20.137 4.168 1.00 0.00 C ATOM 1275 O ARG A 80 2.785 19.202 4.948 1.00 0.00 O ATOM 1276 CB ARG A 80 3.898 22.202 4.784 1.00 0.00 C ATOM 1277 CG ARG A 80 5.239 22.917 4.738 1.00 0.00 C ATOM 1278 CD ARG A 80 5.385 24.012 5.732 1.00 0.00 C ATOM 1279 NE ARG A 80 6.677 24.678 5.708 1.00 0.00 N ATOM 1280 CZ ARG A 80 7.011 25.725 6.488 1.00 0.00 C ATOM 1281 NH1 ARG A 80 6.144 26.251 7.326 1.00 0.00 N ATOM 1282 NH2 ARG A 80 8.229 26.226 6.372 1.00 0.00 N ATOM 0 H ARG A 80 3.427 22.563 2.347 1.00 0.00 H new ATOM 0 HA ARG A 80 4.668 20.494 3.811 1.00 0.00 H new ATOM 0 HB2 ARG A 80 3.107 22.932 4.611 1.00 0.00 H new ATOM 0 HB3 ARG A 80 3.750 21.803 5.787 1.00 0.00 H new ATOM 0 HG2 ARG A 80 6.032 22.187 4.901 1.00 0.00 H new ATOM 0 HG3 ARG A 80 5.384 23.328 3.739 1.00 0.00 H new ATOM 0 HD2 ARG A 80 4.605 24.753 5.555 1.00 0.00 H new ATOM 0 HD3 ARG A 80 5.218 23.605 6.729 1.00 0.00 H new ATOM 0 HE ARG A 80 7.379 24.329 5.056 1.00 0.00 H new ATOM 0 HH11 ARG A 80 5.202 25.866 7.393 1.00 0.00 H new ATOM 0 HH12 ARG A 80 6.414 27.043 7.909 1.00 0.00 H new ATOM 0 HH21 ARG A 80 8.886 25.820 5.706 1.00 0.00 H new ATOM 0 HH22 ARG A 80 8.512 27.019 6.949 1.00 0.00 H new ATOM 1296 N LEU A 81 1.419 20.396 3.618 1.00 0.00 N ATOM 1297 CA LEU A 81 0.253 19.560 3.877 1.00 0.00 C ATOM 1298 C LEU A 81 0.489 18.128 3.413 1.00 0.00 C ATOM 1299 O LEU A 81 0.283 17.179 4.170 1.00 0.00 O ATOM 1300 CB LEU A 81 -0.984 20.148 3.186 1.00 0.00 C ATOM 1301 CG LEU A 81 -2.268 19.321 3.331 1.00 0.00 C ATOM 1302 CD1 LEU A 81 -2.650 19.203 4.801 1.00 0.00 C ATOM 1303 CD2 LEU A 81 -3.387 19.973 2.534 1.00 0.00 C ATOM 0 H LEU A 81 1.244 21.180 2.989 1.00 0.00 H new ATOM 0 HA LEU A 81 0.082 19.541 4.953 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -1.166 21.145 3.588 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -0.765 20.267 2.125 1.00 0.00 H new ATOM 0 HG LEU A 81 -2.099 18.317 2.941 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -3.563 18.614 4.894 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -1.845 18.713 5.348 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -2.816 20.198 5.215 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -4.298 19.384 2.638 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -3.561 20.981 2.910 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -3.104 20.021 1.482 1.00 0.00 H new ATOM 1315 N LEU A 82 0.921 17.978 2.166 1.00 0.00 N ATOM 1316 CA LEU A 82 1.184 16.661 1.600 1.00 0.00 C ATOM 1317 C LEU A 82 2.339 15.974 2.318 1.00 0.00 C ATOM 1318 O LEU A 82 2.338 14.754 2.488 1.00 0.00 O ATOM 1319 CB LEU A 82 1.485 16.779 0.100 1.00 0.00 C ATOM 1320 CG LEU A 82 0.286 17.161 -0.777 1.00 0.00 C ATOM 1321 CD1 LEU A 82 0.739 17.376 -2.215 1.00 0.00 C ATOM 1322 CD2 LEU A 82 -0.768 16.066 -0.703 1.00 0.00 C ATOM 0 H LEU A 82 1.097 18.754 1.527 1.00 0.00 H new ATOM 0 HA LEU A 82 0.292 16.050 1.736 1.00 0.00 H new ATOM 0 HB2 LEU A 82 2.269 17.523 -0.040 1.00 0.00 H new ATOM 0 HB3 LEU A 82 1.883 15.827 -0.251 1.00 0.00 H new ATOM 0 HG LEU A 82 -0.149 18.092 -0.413 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -0.119 17.647 -2.830 1.00 0.00 H new ATOM 0 HD12 LEU A 82 1.477 18.178 -2.248 1.00 0.00 H new ATOM 0 HD13 LEU A 82 1.184 16.457 -2.597 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -1.620 16.338 -1.326 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -0.343 15.127 -1.059 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -1.097 15.947 0.329 1.00 0.00 H new ATOM 1334 N ALA A 83 3.321 16.762 2.740 1.00 0.00 N ATOM 1335 CA ALA A 83 4.443 16.243 3.512 1.00 0.00 C ATOM 1336 C ALA A 83 3.974 15.652 4.836 1.00 0.00 C ATOM 1337 O ALA A 83 4.413 14.575 5.236 1.00 0.00 O ATOM 1338 CB ALA A 83 5.473 17.337 3.751 1.00 0.00 C ATOM 0 H ALA A 83 3.363 17.765 2.560 1.00 0.00 H new ATOM 0 HA ALA A 83 4.909 15.444 2.935 1.00 0.00 H new ATOM 0 HB1 ALA A 83 6.305 16.934 4.329 1.00 0.00 H new ATOM 0 HB2 ALA A 83 5.841 17.705 2.794 1.00 0.00 H new ATOM 0 HB3 ALA A 83 5.012 18.157 4.302 1.00 0.00 H new ATOM 1344 N GLU A 84 3.079 16.365 5.512 1.00 0.00 N ATOM 1345 CA GLU A 84 2.506 15.886 6.764 1.00 0.00 C ATOM 1346 C GLU A 84 1.630 14.661 6.536 1.00 0.00 C ATOM 1347 O GLU A 84 1.686 13.696 7.298 1.00 0.00 O ATOM 1348 CB GLU A 84 1.696 16.994 7.441 1.00 0.00 C ATOM 1349 CG GLU A 84 1.032 16.579 8.746 1.00 0.00 C ATOM 1350 CD GLU A 84 0.232 17.708 9.335 1.00 0.00 C ATOM 1351 OE1 GLU A 84 0.307 18.797 8.819 1.00 0.00 O ATOM 1352 OE2 GLU A 84 -0.540 17.458 10.230 1.00 0.00 O ATOM 0 H GLU A 84 2.735 17.277 5.213 1.00 0.00 H new ATOM 0 HA GLU A 84 3.329 15.599 7.419 1.00 0.00 H new ATOM 0 HB2 GLU A 84 2.354 17.841 7.635 1.00 0.00 H new ATOM 0 HB3 GLU A 84 0.927 17.339 6.750 1.00 0.00 H new ATOM 0 HG2 GLU A 84 0.381 15.723 8.569 1.00 0.00 H new ATOM 0 HG3 GLU A 84 1.793 16.259 9.458 1.00 0.00 H new ATOM 1359 N GLU A 85 0.821 14.707 5.484 1.00 0.00 N ATOM 1360 CA GLU A 85 -0.088 13.611 5.169 1.00 0.00 C ATOM 1361 C GLU A 85 0.678 12.346 4.805 1.00 0.00 C ATOM 1362 O GLU A 85 0.246 11.237 5.118 1.00 0.00 O ATOM 1363 CB GLU A 85 -1.026 14.005 4.026 1.00 0.00 C ATOM 1364 CG GLU A 85 -2.098 15.015 4.410 1.00 0.00 C ATOM 1365 CD GLU A 85 -2.983 14.482 5.502 1.00 0.00 C ATOM 1366 OE1 GLU A 85 -3.494 13.399 5.351 1.00 0.00 O ATOM 1367 OE2 GLU A 85 -3.060 15.105 6.535 1.00 0.00 O ATOM 0 H GLU A 85 0.776 15.492 4.834 1.00 0.00 H new ATOM 0 HA GLU A 85 -0.682 13.405 6.060 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -0.432 14.417 3.211 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -1.511 13.106 3.644 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -1.627 15.941 4.740 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -2.702 15.258 3.536 1.00 0.00 H new ATOM 1374 N LEU A 86 1.816 12.519 4.144 1.00 0.00 N ATOM 1375 CA LEU A 86 2.696 11.401 3.827 1.00 0.00 C ATOM 1376 C LEU A 86 3.305 10.804 5.089 1.00 0.00 C ATOM 1377 O LEU A 86 3.376 9.585 5.240 1.00 0.00 O ATOM 1378 CB LEU A 86 3.802 11.851 2.864 1.00 0.00 C ATOM 1379 CG LEU A 86 4.793 10.757 2.450 1.00 0.00 C ATOM 1380 CD1 LEU A 86 4.056 9.620 1.756 1.00 0.00 C ATOM 1381 CD2 LEU A 86 5.854 11.351 1.535 1.00 0.00 C ATOM 0 H LEU A 86 2.152 13.425 3.816 1.00 0.00 H new ATOM 0 HA LEU A 86 2.098 10.628 3.344 1.00 0.00 H new ATOM 0 HB2 LEU A 86 3.336 12.256 1.965 1.00 0.00 H new ATOM 0 HB3 LEU A 86 4.358 12.665 3.330 1.00 0.00 H new ATOM 0 HG LEU A 86 5.282 10.354 3.337 1.00 0.00 H new ATOM 0 HD11 LEU A 86 4.769 8.848 1.466 1.00 0.00 H new ATOM 0 HD12 LEU A 86 3.318 9.195 2.437 1.00 0.00 H new ATOM 0 HD13 LEU A 86 3.553 10.001 0.868 1.00 0.00 H new ATOM 0 HD21 LEU A 86 6.558 10.573 1.241 1.00 0.00 H new ATOM 0 HD22 LEU A 86 5.378 11.764 0.646 1.00 0.00 H new ATOM 0 HD23 LEU A 86 6.387 12.142 2.062 1.00 0.00 H new ATOM 1393 N HIS A 87 3.743 11.672 5.996 1.00 0.00 N ATOM 1394 CA HIS A 87 4.224 11.238 7.302 1.00 0.00 C ATOM 1395 C HIS A 87 3.146 10.473 8.060 1.00 0.00 C ATOM 1396 O HIS A 87 3.411 9.423 8.646 1.00 0.00 O ATOM 1397 CB HIS A 87 4.696 12.437 8.130 1.00 0.00 C ATOM 1398 CG HIS A 87 5.199 12.067 9.492 1.00 0.00 C ATOM 1399 ND1 HIS A 87 6.398 11.415 9.690 1.00 0.00 N ATOM 1400 CD2 HIS A 87 4.666 12.256 10.721 1.00 0.00 C ATOM 1401 CE1 HIS A 87 6.581 11.220 10.984 1.00 0.00 C ATOM 1402 NE2 HIS A 87 5.544 11.720 11.631 1.00 0.00 N ATOM 0 H HIS A 87 3.774 12.681 5.850 1.00 0.00 H new ATOM 0 HA HIS A 87 5.068 10.568 7.137 1.00 0.00 H new ATOM 0 HB2 HIS A 87 5.488 12.953 7.587 1.00 0.00 H new ATOM 0 HB3 HIS A 87 3.871 13.142 8.236 1.00 0.00 H new ATOM 0 HD2 HIS A 87 3.726 12.738 10.945 1.00 0.00 H new ATOM 0 HE1 HIS A 87 7.433 10.734 11.436 1.00 0.00 H new ATOM 0 HE2 HIS A 87 5.416 11.710 12.643 1.00 0.00 H new ATOM 1410 N ARG A 88 1.929 11.006 8.046 1.00 0.00 N ATOM 1411 CA ARG A 88 0.807 10.372 8.728 1.00 0.00 C ATOM 1412 C ARG A 88 0.446 9.043 8.078 1.00 0.00 C ATOM 1413 O ARG A 88 0.037 8.101 8.756 1.00 0.00 O ATOM 1414 CB ARG A 88 -0.401 11.293 8.823 1.00 0.00 C ATOM 1415 CG ARG A 88 -0.225 12.487 9.746 1.00 0.00 C ATOM 1416 CD ARG A 88 -1.406 13.385 9.818 1.00 0.00 C ATOM 1417 NE ARG A 88 -1.195 14.598 10.593 1.00 0.00 N ATOM 1418 CZ ARG A 88 -1.269 14.670 11.937 1.00 0.00 C ATOM 1419 NH1 ARG A 88 -1.585 13.616 12.655 1.00 0.00 N ATOM 1420 NH2 ARG A 88 -1.039 15.837 12.512 1.00 0.00 N ATOM 0 H ARG A 88 1.694 11.877 7.569 1.00 0.00 H new ATOM 0 HA ARG A 88 1.128 10.167 9.749 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -0.641 11.657 7.824 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -1.257 10.711 9.165 1.00 0.00 H new ATOM 0 HG2 ARG A 88 0.003 12.125 10.749 1.00 0.00 H new ATOM 0 HG3 ARG A 88 0.636 13.065 9.412 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -1.698 13.662 8.805 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -2.240 12.833 10.251 1.00 0.00 H new ATOM 0 HE ARG A 88 -0.976 15.454 10.084 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -1.779 12.726 12.196 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -1.637 13.688 13.671 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -0.813 16.651 11.941 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -1.087 15.924 13.527 1.00 0.00 H new ATOM 1434 N ALA A 89 0.600 8.973 6.760 1.00 0.00 N ATOM 1435 CA ALA A 89 0.391 7.729 6.029 1.00 0.00 C ATOM 1436 C ALA A 89 1.416 6.677 6.428 1.00 0.00 C ATOM 1437 O ALA A 89 1.092 5.495 6.547 1.00 0.00 O ATOM 1438 CB ALA A 89 0.440 7.982 4.530 1.00 0.00 C ATOM 0 H ALA A 89 0.869 9.765 6.176 1.00 0.00 H new ATOM 0 HA ALA A 89 -0.597 7.347 6.287 1.00 0.00 H new ATOM 0 HB1 ALA A 89 0.282 7.044 3.997 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -0.341 8.691 4.255 1.00 0.00 H new ATOM 0 HB3 ALA A 89 1.414 8.392 4.262 1.00 0.00 H new ATOM 1444 N ALA A 90 2.655 7.111 6.633 1.00 0.00 N ATOM 1445 CA ALA A 90 3.715 6.219 7.086 1.00 0.00 C ATOM 1446 C ALA A 90 3.437 5.704 8.492 1.00 0.00 C ATOM 1447 O ALA A 90 3.761 4.562 8.821 1.00 0.00 O ATOM 1448 CB ALA A 90 5.061 6.926 7.033 1.00 0.00 C ATOM 0 H ALA A 90 2.950 8.077 6.492 1.00 0.00 H new ATOM 0 HA ALA A 90 3.744 5.361 6.415 1.00 0.00 H new ATOM 0 HB1 ALA A 90 5.842 6.247 7.374 1.00 0.00 H new ATOM 0 HB2 ALA A 90 5.270 7.234 6.009 1.00 0.00 H new ATOM 0 HB3 ALA A 90 5.036 7.804 7.678 1.00 0.00 H new ATOM 1454 N ILE A 91 2.837 6.553 9.320 1.00 0.00 N ATOM 1455 CA ILE A 91 2.428 6.155 10.662 1.00 0.00 C ATOM 1456 C ILE A 91 1.346 5.085 10.614 1.00 0.00 C ATOM 1457 O ILE A 91 1.405 4.095 11.343 1.00 0.00 O ATOM 1458 CB ILE A 91 1.914 7.357 11.475 1.00 0.00 C ATOM 1459 CG1 ILE A 91 3.060 8.324 11.782 1.00 0.00 C ATOM 1460 CG2 ILE A 91 1.253 6.884 12.761 1.00 0.00 C ATOM 1461 CD1 ILE A 91 2.603 9.652 12.342 1.00 0.00 C ATOM 0 H ILE A 91 2.623 7.522 9.085 1.00 0.00 H new ATOM 0 HA ILE A 91 3.313 5.749 11.152 1.00 0.00 H new ATOM 0 HB ILE A 91 1.169 7.886 10.880 1.00 0.00 H new ATOM 0 HG12 ILE A 91 3.739 7.854 12.494 1.00 0.00 H new ATOM 0 HG13 ILE A 91 3.628 8.501 10.869 1.00 0.00 H new ATOM 0 HG21 ILE A 91 0.895 7.746 13.324 1.00 0.00 H new ATOM 0 HG22 ILE A 91 0.412 6.233 12.520 1.00 0.00 H new ATOM 0 HG23 ILE A 91 1.977 6.334 13.361 1.00 0.00 H new ATOM 0 HD11 ILE A 91 3.470 10.284 12.534 1.00 0.00 H new ATOM 0 HD12 ILE A 91 1.948 10.144 11.623 1.00 0.00 H new ATOM 0 HD13 ILE A 91 2.061 9.487 13.273 1.00 0.00 H new ATOM 1473 N GLN A 92 0.357 5.289 9.750 1.00 0.00 N ATOM 1474 CA GLN A 92 -0.726 4.327 9.584 1.00 0.00 C ATOM 1475 C GLN A 92 -0.224 3.035 8.953 1.00 0.00 C ATOM 1476 O GLN A 92 -0.712 1.949 9.267 1.00 0.00 O ATOM 1477 CB GLN A 92 -1.844 4.922 8.724 1.00 0.00 C ATOM 1478 CG GLN A 92 -2.630 6.030 9.404 1.00 0.00 C ATOM 1479 CD GLN A 92 -3.641 6.676 8.476 1.00 0.00 C ATOM 1480 OE1 GLN A 92 -3.737 6.322 7.297 1.00 0.00 O ATOM 1481 NE2 GLN A 92 -4.399 7.632 9.000 1.00 0.00 N ATOM 0 H GLN A 92 0.283 6.113 9.153 1.00 0.00 H new ATOM 0 HA GLN A 92 -1.119 4.097 10.574 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -1.410 5.312 7.803 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -2.532 4.125 8.440 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -3.147 5.624 10.274 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -1.939 6.790 9.770 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -4.286 7.893 9.980 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -5.094 8.105 8.423 1.00 0.00 H new ATOM 1490 N LEU A 93 0.752 3.158 8.060 1.00 0.00 N ATOM 1491 CA LEU A 93 1.343 1.998 7.406 1.00 0.00 C ATOM 1492 C LEU A 93 1.841 0.983 8.427 1.00 0.00 C ATOM 1493 O LEU A 93 1.067 0.232 8.953 1.00 0.00 O ATOM 1494 CB LEU A 93 2.489 2.435 6.485 1.00 0.00 C ATOM 1495 CG LEU A 93 3.128 1.311 5.659 1.00 0.00 C ATOM 1496 CD1 LEU A 93 2.121 0.762 4.657 1.00 0.00 C ATOM 1497 CD2 LEU A 93 4.363 1.842 4.945 1.00 0.00 C ATOM 0 H LEU A 93 1.151 4.052 7.773 1.00 0.00 H new ATOM 0 HA LEU A 93 0.570 1.518 6.806 1.00 0.00 H new ATOM 0 HB2 LEU A 93 2.115 3.198 5.802 1.00 0.00 H new ATOM 0 HB3 LEU A 93 3.264 2.903 7.092 1.00 0.00 H new ATOM 0 HG LEU A 93 3.428 0.499 6.322 1.00 0.00 H new ATOM 0 HD11 LEU A 93 2.584 -0.035 4.076 1.00 0.00 H new ATOM 0 HD12 LEU A 93 1.256 0.367 5.190 1.00 0.00 H new ATOM 0 HD13 LEU A 93 1.801 1.561 3.988 1.00 0.00 H new ATOM 0 HD21 LEU A 93 4.816 1.043 4.359 1.00 0.00 H new ATOM 0 HD22 LEU A 93 4.077 2.660 4.284 1.00 0.00 H new ATOM 0 HD23 LEU A 93 5.081 2.204 5.681 1.00 0.00 H new TER 1509 LEU A 93