USER MOD reduce.3.24.130724 H: found=0, std=0, add=704, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 703 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 57 ASN : amide:sc= 0.492 X(o=1,f=1.2) USER MOD Set 1.2: A 60 THR OG1 : rot 180:sc= 0.534 USER MOD Set 2.1: A 51 TYR OH : rot 145:sc= 0.285 USER MOD Set 2.2: A 71 ASN : amide:sc= 0.483 K(o=0.77,f=-2.4!) USER MOD Set 3.1: A 7 THR OG1 : rot 160:sc= 1.01 USER MOD Set 3.2: A 17 LYS NZ :NH3+ 165:sc= 1.16 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ -176:sc= 1.13 (180deg=1.12) USER MOD Single : A 2 SER OG : rot -85:sc= 1.19 USER MOD Single : A 3 HIS : no HE2:sc= 0.653 K(o=0.65,f=-3.2!) USER MOD Single : A 4 MET CE :methyl -167:sc= 0 (180deg=-0.122) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.267 USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 GLN : amide:sc= -0.463 K(o=-0.46,f=-1.1) USER MOD Single : A 14 GLN : amide:sc= 0.179 K(o=0.18,f=-4.6!) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -179:sc= 1.26 (180deg=1.26) USER MOD Single : A 30 LYS NZ :NH3+ -164:sc= 1.24 (180deg=0.992) USER MOD Single : A 32 LYS NZ :NH3+ -178:sc= 1.22 (180deg=1.17) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ -170:sc= 0.00589 (180deg=-0.00121) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 GLN : amide:sc= 0.414 K(o=0.41,f=-0.97) USER MOD Single : A 48 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00399) USER MOD Single : A 54 LYS NZ :NH3+ -165:sc= 0.952 (180deg=0.791) USER MOD Single : A 63 LYS NZ :NH3+ -160:sc= 1.27 (180deg=1.05) USER MOD Single : A 65 TYR OH : rot 140:sc= 0.445 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 170:sc= 0.975 (180deg=0.631) USER MOD Single : A 76 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 168:sc= 0.574 (180deg=0.536) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0.00504 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -6.664 -17.711 2.043 1.00 10.00 N ATOM 2 CA GLY A 1 -6.883 -17.251 0.658 1.00 10.00 C ATOM 3 C GLY A 1 -8.132 -16.393 0.575 1.00 10.00 C ATOM 4 O GLY A 1 -9.237 -16.888 0.807 1.00 10.00 O ATOM 0 H1 GLY A 1 -5.770 -18.240 2.096 1.00 10.00 H new ATOM 0 H2 GLY A 1 -6.618 -16.889 2.679 1.00 10.00 H new ATOM 0 H3 GLY A 1 -7.449 -18.329 2.332 1.00 10.00 H new ATOM 0 HA2 GLY A 1 -6.019 -16.680 0.317 1.00 10.00 H new ATOM 0 HA3 GLY A 1 -6.980 -18.110 -0.006 1.00 10.00 H new ATOM 10 N SER A 2 -7.968 -15.107 0.255 1.00 10.00 N ATOM 11 CA SER A 2 -9.031 -14.082 0.282 1.00 10.00 C ATOM 12 C SER A 2 -8.844 -12.943 -0.742 1.00 10.00 C ATOM 13 O SER A 2 -9.626 -11.990 -0.752 1.00 10.00 O ATOM 14 CB SER A 2 -9.130 -13.504 1.706 1.00 10.00 C ATOM 15 OG SER A 2 -7.866 -13.072 2.190 1.00 10.00 O ATOM 0 H SER A 2 -7.066 -14.732 -0.040 1.00 10.00 H new ATOM 0 HA SER A 2 -9.956 -14.581 -0.007 1.00 10.00 H new ATOM 0 HB2 SER A 2 -9.827 -12.666 1.710 1.00 10.00 H new ATOM 0 HB3 SER A 2 -9.537 -14.260 2.377 1.00 10.00 H new ATOM 0 HG SER A 2 -7.386 -13.834 2.578 1.00 10.00 H new ATOM 21 N HIS A 3 -7.797 -13.014 -1.574 1.00 10.00 N ATOM 22 CA HIS A 3 -7.253 -11.924 -2.398 1.00 10.00 C ATOM 23 C HIS A 3 -8.242 -11.013 -3.144 1.00 10.00 C ATOM 24 O HIS A 3 -9.181 -11.455 -3.808 1.00 10.00 O ATOM 25 CB HIS A 3 -6.128 -12.442 -3.313 1.00 10.00 C ATOM 26 CG HIS A 3 -6.327 -13.837 -3.853 1.00 10.00 C ATOM 27 ND1 HIS A 3 -5.906 -14.993 -3.234 1.00 10.00 N ATOM 28 CD2 HIS A 3 -6.949 -14.202 -5.015 1.00 10.00 C ATOM 29 CE1 HIS A 3 -6.262 -16.036 -4.002 1.00 10.00 C ATOM 30 NE2 HIS A 3 -6.903 -15.602 -5.106 1.00 10.00 N ATOM 0 H HIS A 3 -7.277 -13.882 -1.698 1.00 10.00 H new ATOM 0 HA HIS A 3 -6.850 -11.232 -1.658 1.00 10.00 H new ATOM 0 HB2 HIS A 3 -6.021 -11.756 -4.154 1.00 10.00 H new ATOM 0 HB3 HIS A 3 -5.190 -12.415 -2.759 1.00 10.00 H new ATOM 0 HD1 HIS A 3 -5.409 -15.048 -2.345 1.00 10.00 H new ATOM 0 HD2 HIS A 3 -7.396 -13.532 -5.735 1.00 10.00 H new ATOM 0 HE1 HIS A 3 -6.064 -17.072 -3.769 1.00 10.00 H new ATOM 38 N MET A 4 -7.943 -9.711 -3.056 1.00 10.00 N ATOM 39 CA MET A 4 -8.640 -8.590 -3.695 1.00 10.00 C ATOM 40 C MET A 4 -7.628 -7.548 -4.199 1.00 10.00 C ATOM 41 O MET A 4 -6.485 -7.511 -3.733 1.00 10.00 O ATOM 42 CB MET A 4 -9.663 -7.967 -2.723 1.00 10.00 C ATOM 43 CG MET A 4 -9.039 -7.070 -1.642 1.00 10.00 C ATOM 44 SD MET A 4 -10.242 -6.391 -0.466 1.00 10.00 S ATOM 45 CE MET A 4 -9.254 -5.051 0.249 1.00 10.00 C ATOM 0 H MET A 4 -7.152 -9.392 -2.497 1.00 10.00 H new ATOM 0 HA MET A 4 -9.191 -8.961 -4.559 1.00 10.00 H new ATOM 0 HB2 MET A 4 -10.381 -7.380 -3.296 1.00 10.00 H new ATOM 0 HB3 MET A 4 -10.221 -8.768 -2.237 1.00 10.00 H new ATOM 0 HG2 MET A 4 -8.293 -7.645 -1.093 1.00 10.00 H new ATOM 0 HG3 MET A 4 -8.514 -6.246 -2.126 1.00 10.00 H new ATOM 0 HE1 MET A 4 -9.746 -4.674 1.146 1.00 10.00 H new ATOM 0 HE2 MET A 4 -8.265 -5.427 0.509 1.00 10.00 H new ATOM 0 HE3 MET A 4 -9.156 -4.244 -0.477 1.00 10.00 H new ATOM 55 N GLN A 5 -8.047 -6.685 -5.125 1.00 10.00 N ATOM 56 CA GLN A 5 -7.214 -5.606 -5.669 1.00 10.00 C ATOM 57 C GLN A 5 -7.505 -4.242 -5.024 1.00 10.00 C ATOM 58 O GLN A 5 -8.619 -3.979 -4.566 1.00 10.00 O ATOM 59 CB GLN A 5 -7.297 -5.562 -7.205 1.00 10.00 C ATOM 60 CG GLN A 5 -8.697 -5.220 -7.721 1.00 10.00 C ATOM 61 CD GLN A 5 -8.732 -5.070 -9.241 1.00 10.00 C ATOM 62 OE1 GLN A 5 -8.087 -4.208 -9.827 1.00 10.00 O ATOM 63 NE2 GLN A 5 -9.481 -5.891 -9.948 1.00 10.00 N ATOM 0 H GLN A 5 -8.985 -6.714 -5.525 1.00 10.00 H new ATOM 0 HA GLN A 5 -6.182 -5.836 -5.405 1.00 10.00 H new ATOM 0 HB2 GLN A 5 -6.588 -4.824 -7.580 1.00 10.00 H new ATOM 0 HB3 GLN A 5 -6.994 -6.529 -7.607 1.00 10.00 H new ATOM 0 HG2 GLN A 5 -9.394 -6.001 -7.419 1.00 10.00 H new ATOM 0 HG3 GLN A 5 -9.036 -4.293 -7.258 1.00 10.00 H new ATOM 0 HE21 GLN A 5 -10.026 -6.615 -9.480 1.00 10.00 H new ATOM 0 HE22 GLN A 5 -9.516 -5.802 -10.964 1.00 10.00 H new ATOM 72 N VAL A 6 -6.488 -3.379 -4.977 1.00 10.00 N ATOM 73 CA VAL A 6 -6.500 -2.029 -4.392 1.00 10.00 C ATOM 74 C VAL A 6 -5.766 -1.075 -5.345 1.00 10.00 C ATOM 75 O VAL A 6 -4.806 -1.451 -6.024 1.00 10.00 O ATOM 76 CB VAL A 6 -5.844 -2.032 -2.989 1.00 10.00 C ATOM 77 CG1 VAL A 6 -5.994 -0.674 -2.288 1.00 10.00 C ATOM 78 CG2 VAL A 6 -6.462 -3.077 -2.045 1.00 10.00 C ATOM 0 H VAL A 6 -5.577 -3.615 -5.369 1.00 10.00 H new ATOM 0 HA VAL A 6 -7.529 -1.692 -4.265 1.00 10.00 H new ATOM 0 HB VAL A 6 -4.796 -2.267 -3.176 1.00 10.00 H new ATOM 0 HG11 VAL A 6 -5.521 -0.717 -1.307 1.00 10.00 H new ATOM 0 HG12 VAL A 6 -5.516 0.100 -2.888 1.00 10.00 H new ATOM 0 HG13 VAL A 6 -7.052 -0.440 -2.171 1.00 10.00 H new ATOM 0 HG21 VAL A 6 -5.963 -3.033 -1.077 1.00 10.00 H new ATOM 0 HG22 VAL A 6 -7.524 -2.868 -1.916 1.00 10.00 H new ATOM 0 HG23 VAL A 6 -6.338 -4.072 -2.472 1.00 10.00 H new ATOM 88 N THR A 7 -6.225 0.176 -5.394 1.00 10.00 N ATOM 89 CA THR A 7 -5.691 1.243 -6.255 1.00 10.00 C ATOM 90 C THR A 7 -4.773 2.131 -5.418 1.00 10.00 C ATOM 91 O THR A 7 -5.193 2.637 -4.378 1.00 10.00 O ATOM 92 CB THR A 7 -6.849 2.081 -6.814 1.00 10.00 C ATOM 93 OG1 THR A 7 -7.763 1.255 -7.503 1.00 10.00 O ATOM 94 CG2 THR A 7 -6.395 3.150 -7.800 1.00 10.00 C ATOM 0 H THR A 7 -7.006 0.490 -4.817 1.00 10.00 H new ATOM 0 HA THR A 7 -5.134 0.809 -7.085 1.00 10.00 H new ATOM 0 HB THR A 7 -7.304 2.563 -5.948 1.00 10.00 H new ATOM 0 HG1 THR A 7 -8.627 1.711 -7.574 1.00 10.00 H new ATOM 0 HG21 THR A 7 -7.261 3.707 -8.158 1.00 10.00 H new ATOM 0 HG22 THR A 7 -5.705 3.832 -7.304 1.00 10.00 H new ATOM 0 HG23 THR A 7 -5.894 2.677 -8.644 1.00 10.00 H new ATOM 102 N LEU A 8 -3.522 2.317 -5.837 1.00 10.00 N ATOM 103 CA LEU A 8 -2.493 3.022 -5.067 1.00 10.00 C ATOM 104 C LEU A 8 -2.009 4.249 -5.844 1.00 10.00 C ATOM 105 O LEU A 8 -1.654 4.106 -7.012 1.00 10.00 O ATOM 106 CB LEU A 8 -1.293 2.095 -4.792 1.00 10.00 C ATOM 107 CG LEU A 8 -1.575 0.678 -4.267 1.00 10.00 C ATOM 108 CD1 LEU A 8 -0.271 0.054 -3.782 1.00 10.00 C ATOM 109 CD2 LEU A 8 -2.520 0.629 -3.073 1.00 10.00 C ATOM 0 H LEU A 8 -3.187 1.976 -6.738 1.00 10.00 H new ATOM 0 HA LEU A 8 -2.929 3.334 -4.118 1.00 10.00 H new ATOM 0 HB2 LEU A 8 -0.726 2.000 -5.718 1.00 10.00 H new ATOM 0 HB3 LEU A 8 -0.645 2.594 -4.072 1.00 10.00 H new ATOM 0 HG LEU A 8 -2.035 0.150 -5.102 1.00 10.00 H new ATOM 0 HD11 LEU A 8 -0.466 -0.951 -3.409 1.00 10.00 H new ATOM 0 HD12 LEU A 8 0.438 0.003 -4.609 1.00 10.00 H new ATOM 0 HD13 LEU A 8 0.148 0.664 -2.982 1.00 10.00 H new ATOM 0 HD21 LEU A 8 -2.665 -0.407 -2.766 1.00 10.00 H new ATOM 0 HD22 LEU A 8 -2.092 1.196 -2.246 1.00 10.00 H new ATOM 0 HD23 LEU A 8 -3.480 1.063 -3.351 1.00 10.00 H new ATOM 121 N LYS A 9 -1.944 5.428 -5.211 1.00 10.00 N ATOM 122 CA LYS A 9 -1.387 6.657 -5.808 1.00 10.00 C ATOM 123 C LYS A 9 -0.174 7.189 -5.046 1.00 10.00 C ATOM 124 O LYS A 9 -0.028 6.945 -3.850 1.00 10.00 O ATOM 125 CB LYS A 9 -2.480 7.718 -6.037 1.00 10.00 C ATOM 126 CG LYS A 9 -2.925 8.476 -4.780 1.00 10.00 C ATOM 127 CD LYS A 9 -4.025 9.484 -5.153 1.00 10.00 C ATOM 128 CE LYS A 9 -4.400 10.433 -4.005 1.00 10.00 C ATOM 129 NZ LYS A 9 -3.350 11.459 -3.747 1.00 10.00 N ATOM 0 H LYS A 9 -2.280 5.560 -4.257 1.00 10.00 H new ATOM 0 HA LYS A 9 -1.004 6.391 -6.793 1.00 10.00 H new ATOM 0 HB2 LYS A 9 -2.116 8.440 -6.768 1.00 10.00 H new ATOM 0 HB3 LYS A 9 -3.351 7.231 -6.476 1.00 10.00 H new ATOM 0 HG2 LYS A 9 -3.297 7.775 -4.032 1.00 10.00 H new ATOM 0 HG3 LYS A 9 -2.076 8.996 -4.336 1.00 10.00 H new ATOM 0 HD2 LYS A 9 -3.692 10.073 -6.007 1.00 10.00 H new ATOM 0 HD3 LYS A 9 -4.915 8.939 -5.469 1.00 10.00 H new ATOM 0 HE2 LYS A 9 -5.340 10.931 -4.242 1.00 10.00 H new ATOM 0 HE3 LYS A 9 -4.567 9.852 -3.098 1.00 10.00 H new ATOM 0 HZ1 LYS A 9 -3.651 12.074 -2.964 1.00 10.00 H new ATOM 0 HZ2 LYS A 9 -2.458 10.987 -3.494 1.00 10.00 H new ATOM 0 HZ3 LYS A 9 -3.207 12.033 -4.603 1.00 10.00 H new ATOM 143 N THR A 10 0.703 7.915 -5.732 1.00 10.00 N ATOM 144 CA THR A 10 2.027 8.328 -5.224 1.00 10.00 C ATOM 145 C THR A 10 2.075 9.801 -4.790 1.00 10.00 C ATOM 146 O THR A 10 1.176 10.592 -5.087 1.00 10.00 O ATOM 147 CB THR A 10 3.095 8.095 -6.309 1.00 10.00 C ATOM 148 OG1 THR A 10 2.827 8.921 -7.423 1.00 10.00 O ATOM 149 CG2 THR A 10 3.163 6.653 -6.808 1.00 10.00 C ATOM 0 H THR A 10 0.518 8.245 -6.679 1.00 10.00 H new ATOM 0 HA THR A 10 2.225 7.720 -4.341 1.00 10.00 H new ATOM 0 HB THR A 10 4.050 8.332 -5.841 1.00 10.00 H new ATOM 0 HG1 THR A 10 3.508 8.773 -8.112 1.00 10.00 H new ATOM 0 HG21 THR A 10 3.938 6.568 -7.570 1.00 10.00 H new ATOM 0 HG22 THR A 10 3.399 5.991 -5.975 1.00 10.00 H new ATOM 0 HG23 THR A 10 2.201 6.370 -7.236 1.00 10.00 H new ATOM 157 N LEU A 11 3.191 10.202 -4.166 1.00 10.00 N ATOM 158 CA LEU A 11 3.608 11.609 -3.993 1.00 10.00 C ATOM 159 C LEU A 11 3.978 12.322 -5.320 1.00 10.00 C ATOM 160 O LEU A 11 4.391 13.484 -5.306 1.00 10.00 O ATOM 161 CB LEU A 11 4.808 11.660 -3.019 1.00 10.00 C ATOM 162 CG LEU A 11 4.515 11.209 -1.577 1.00 10.00 C ATOM 163 CD1 LEU A 11 5.809 11.251 -0.760 1.00 10.00 C ATOM 164 CD2 LEU A 11 3.483 12.102 -0.886 1.00 10.00 C ATOM 0 H LEU A 11 3.850 9.541 -3.754 1.00 10.00 H new ATOM 0 HA LEU A 11 2.750 12.148 -3.591 1.00 10.00 H new ATOM 0 HB2 LEU A 11 5.606 11.035 -3.421 1.00 10.00 H new ATOM 0 HB3 LEU A 11 5.187 12.682 -2.991 1.00 10.00 H new ATOM 0 HG LEU A 11 4.111 10.198 -1.631 1.00 10.00 H new ATOM 0 HD11 LEU A 11 5.605 10.932 0.262 1.00 10.00 H new ATOM 0 HD12 LEU A 11 6.544 10.583 -1.208 1.00 10.00 H new ATOM 0 HD13 LEU A 11 6.201 12.268 -0.751 1.00 10.00 H new ATOM 0 HD21 LEU A 11 3.311 11.742 0.128 1.00 10.00 H new ATOM 0 HD22 LEU A 11 3.854 13.126 -0.850 1.00 10.00 H new ATOM 0 HD23 LEU A 11 2.547 12.075 -1.444 1.00 10.00 H new ATOM 176 N GLN A 12 3.852 11.638 -6.462 1.00 10.00 N ATOM 177 CA GLN A 12 4.312 12.057 -7.794 1.00 10.00 C ATOM 178 C GLN A 12 3.152 12.027 -8.817 1.00 10.00 C ATOM 179 O GLN A 12 3.367 11.843 -10.017 1.00 10.00 O ATOM 180 CB GLN A 12 5.506 11.173 -8.216 1.00 10.00 C ATOM 181 CG GLN A 12 6.705 11.268 -7.255 1.00 10.00 C ATOM 182 CD GLN A 12 7.839 10.314 -7.636 1.00 10.00 C ATOM 183 OE1 GLN A 12 8.294 10.253 -8.773 1.00 10.00 O ATOM 184 NE2 GLN A 12 8.343 9.528 -6.707 1.00 10.00 N ATOM 0 H GLN A 12 3.400 10.724 -6.485 1.00 10.00 H new ATOM 0 HA GLN A 12 4.654 13.091 -7.760 1.00 10.00 H new ATOM 0 HB2 GLN A 12 5.178 10.135 -8.275 1.00 10.00 H new ATOM 0 HB3 GLN A 12 5.828 11.463 -9.216 1.00 10.00 H new ATOM 0 HG2 GLN A 12 7.082 12.291 -7.249 1.00 10.00 H new ATOM 0 HG3 GLN A 12 6.372 11.045 -6.241 1.00 10.00 H new ATOM 0 HE21 GLN A 12 7.978 9.564 -5.755 1.00 10.00 H new ATOM 0 HE22 GLN A 12 9.098 8.883 -6.939 1.00 10.00 H new ATOM 193 N GLN A 13 1.916 12.214 -8.330 1.00 10.00 N ATOM 194 CA GLN A 13 0.654 12.251 -9.083 1.00 10.00 C ATOM 195 C GLN A 13 0.501 11.155 -10.164 1.00 10.00 C ATOM 196 O GLN A 13 0.156 11.428 -11.319 1.00 10.00 O ATOM 197 CB GLN A 13 0.303 13.686 -9.542 1.00 10.00 C ATOM 198 CG GLN A 13 1.283 14.388 -10.508 1.00 10.00 C ATOM 199 CD GLN A 13 2.525 14.998 -9.851 1.00 10.00 C ATOM 200 OE1 GLN A 13 2.556 15.356 -8.680 1.00 10.00 O ATOM 201 NE2 GLN A 13 3.610 15.154 -10.580 1.00 10.00 N ATOM 0 H GLN A 13 1.762 12.353 -7.331 1.00 10.00 H new ATOM 0 HA GLN A 13 -0.125 11.967 -8.376 1.00 10.00 H new ATOM 0 HB2 GLN A 13 -0.676 13.656 -10.020 1.00 10.00 H new ATOM 0 HB3 GLN A 13 0.204 14.308 -8.653 1.00 10.00 H new ATOM 0 HG2 GLN A 13 1.606 13.667 -11.259 1.00 10.00 H new ATOM 0 HG3 GLN A 13 0.746 15.177 -11.034 1.00 10.00 H new ATOM 0 HE21 GLN A 13 3.613 14.865 -11.558 1.00 10.00 H new ATOM 0 HE22 GLN A 13 4.448 15.564 -10.167 1.00 10.00 H new ATOM 210 N GLN A 14 0.738 9.898 -9.775 1.00 10.00 N ATOM 211 CA GLN A 14 0.564 8.702 -10.601 1.00 10.00 C ATOM 212 C GLN A 14 -0.174 7.629 -9.792 1.00 10.00 C ATOM 213 O GLN A 14 -0.025 7.583 -8.567 1.00 10.00 O ATOM 214 CB GLN A 14 1.957 8.219 -11.043 1.00 10.00 C ATOM 215 CG GLN A 14 1.952 7.016 -11.994 1.00 10.00 C ATOM 216 CD GLN A 14 1.167 7.267 -13.280 1.00 10.00 C ATOM 217 OE1 GLN A 14 -0.050 7.140 -13.330 1.00 10.00 O ATOM 218 NE2 GLN A 14 1.815 7.639 -14.366 1.00 10.00 N ATOM 0 H GLN A 14 1.070 9.679 -8.836 1.00 10.00 H new ATOM 0 HA GLN A 14 -0.033 8.918 -11.487 1.00 10.00 H new ATOM 0 HB2 GLN A 14 2.475 9.046 -11.529 1.00 10.00 H new ATOM 0 HB3 GLN A 14 2.534 7.960 -10.155 1.00 10.00 H new ATOM 0 HG2 GLN A 14 2.980 6.758 -12.248 1.00 10.00 H new ATOM 0 HG3 GLN A 14 1.526 6.155 -11.478 1.00 10.00 H new ATOM 0 HE21 GLN A 14 2.829 7.750 -14.342 1.00 10.00 H new ATOM 0 HE22 GLN A 14 1.303 7.816 -15.230 1.00 10.00 H new ATOM 227 N THR A 15 -0.932 6.754 -10.458 1.00 10.00 N ATOM 228 CA THR A 15 -1.789 5.745 -9.809 1.00 10.00 C ATOM 229 C THR A 15 -1.687 4.388 -10.515 1.00 10.00 C ATOM 230 O THR A 15 -1.583 4.320 -11.742 1.00 10.00 O ATOM 231 CB THR A 15 -3.261 6.203 -9.757 1.00 10.00 C ATOM 232 OG1 THR A 15 -3.371 7.573 -9.413 1.00 10.00 O ATOM 233 CG2 THR A 15 -4.087 5.433 -8.732 1.00 10.00 C ATOM 0 H THR A 15 -0.972 6.722 -11.477 1.00 10.00 H new ATOM 0 HA THR A 15 -1.428 5.632 -8.787 1.00 10.00 H new ATOM 0 HB THR A 15 -3.643 6.015 -10.761 1.00 10.00 H new ATOM 0 HG1 THR A 15 -4.316 7.830 -9.391 1.00 10.00 H new ATOM 0 HG21 THR A 15 -5.113 5.800 -8.742 1.00 10.00 H new ATOM 0 HG22 THR A 15 -4.079 4.372 -8.981 1.00 10.00 H new ATOM 0 HG23 THR A 15 -3.660 5.576 -7.739 1.00 10.00 H new ATOM 241 N PHE A 16 -1.713 3.300 -9.740 1.00 10.00 N ATOM 242 CA PHE A 16 -1.487 1.919 -10.185 1.00 10.00 C ATOM 243 C PHE A 16 -2.368 0.914 -9.416 1.00 10.00 C ATOM 244 O PHE A 16 -3.036 1.273 -8.443 1.00 10.00 O ATOM 245 CB PHE A 16 0.022 1.597 -10.096 1.00 10.00 C ATOM 246 CG PHE A 16 0.678 1.708 -8.723 1.00 10.00 C ATOM 247 CD1 PHE A 16 0.997 2.972 -8.181 1.00 10.00 C ATOM 248 CD2 PHE A 16 1.029 0.545 -8.009 1.00 10.00 C ATOM 249 CE1 PHE A 16 1.595 3.070 -6.912 1.00 10.00 C ATOM 250 CE2 PHE A 16 1.690 0.646 -6.773 1.00 10.00 C ATOM 251 CZ PHE A 16 1.944 1.905 -6.208 1.00 10.00 C ATOM 0 H PHE A 16 -1.901 3.359 -8.739 1.00 10.00 H new ATOM 0 HA PHE A 16 -1.791 1.822 -11.227 1.00 10.00 H new ATOM 0 HB2 PHE A 16 0.173 0.581 -10.462 1.00 10.00 H new ATOM 0 HB3 PHE A 16 0.551 2.263 -10.778 1.00 10.00 H new ATOM 0 HD1 PHE A 16 0.781 3.868 -8.744 1.00 10.00 H new ATOM 0 HD2 PHE A 16 0.789 -0.427 -8.413 1.00 10.00 H new ATOM 0 HE1 PHE A 16 1.786 4.041 -6.479 1.00 10.00 H new ATOM 0 HE2 PHE A 16 2.004 -0.249 -6.256 1.00 10.00 H new ATOM 0 HZ PHE A 16 2.406 1.978 -5.235 1.00 10.00 H new ATOM 261 N LYS A 17 -2.403 -0.347 -9.865 1.00 10.00 N ATOM 262 CA LYS A 17 -3.324 -1.404 -9.401 1.00 10.00 C ATOM 263 C LYS A 17 -2.540 -2.617 -8.887 1.00 10.00 C ATOM 264 O LYS A 17 -1.763 -3.214 -9.637 1.00 10.00 O ATOM 265 CB LYS A 17 -4.236 -1.843 -10.566 1.00 10.00 C ATOM 266 CG LYS A 17 -5.165 -0.759 -11.140 1.00 10.00 C ATOM 267 CD LYS A 17 -6.342 -0.421 -10.220 1.00 10.00 C ATOM 268 CE LYS A 17 -7.282 0.554 -10.940 1.00 10.00 C ATOM 269 NZ LYS A 17 -8.537 0.766 -10.178 1.00 10.00 N ATOM 0 H LYS A 17 -1.767 -0.677 -10.591 1.00 10.00 H new ATOM 0 HA LYS A 17 -3.928 -1.004 -8.586 1.00 10.00 H new ATOM 0 HB2 LYS A 17 -3.606 -2.218 -11.373 1.00 10.00 H new ATOM 0 HB3 LYS A 17 -4.850 -2.677 -10.226 1.00 10.00 H new ATOM 0 HG2 LYS A 17 -4.586 0.146 -11.325 1.00 10.00 H new ATOM 0 HG3 LYS A 17 -5.550 -1.093 -12.103 1.00 10.00 H new ATOM 0 HD2 LYS A 17 -6.880 -1.330 -9.949 1.00 10.00 H new ATOM 0 HD3 LYS A 17 -5.979 0.023 -9.293 1.00 10.00 H new ATOM 0 HE2 LYS A 17 -6.777 1.509 -11.083 1.00 10.00 H new ATOM 0 HE3 LYS A 17 -7.518 0.167 -11.931 1.00 10.00 H new ATOM 0 HZ1 LYS A 17 -9.030 1.604 -10.548 1.00 10.00 H new ATOM 0 HZ2 LYS A 17 -9.149 -0.069 -10.278 1.00 10.00 H new ATOM 0 HZ3 LYS A 17 -8.313 0.912 -9.173 1.00 10.00 H new ATOM 283 N ILE A 18 -2.767 -2.989 -7.628 1.00 10.00 N ATOM 284 CA ILE A 18 -2.082 -4.067 -6.890 1.00 10.00 C ATOM 285 C ILE A 18 -3.126 -5.035 -6.324 1.00 10.00 C ATOM 286 O ILE A 18 -4.247 -4.620 -6.054 1.00 10.00 O ATOM 287 CB ILE A 18 -1.242 -3.438 -5.748 1.00 10.00 C ATOM 288 CG1 ILE A 18 -0.166 -2.462 -6.268 1.00 10.00 C ATOM 289 CG2 ILE A 18 -0.588 -4.487 -4.829 1.00 10.00 C ATOM 290 CD1 ILE A 18 0.792 -3.017 -7.330 1.00 10.00 C ATOM 0 H ILE A 18 -3.473 -2.524 -7.057 1.00 10.00 H new ATOM 0 HA ILE A 18 -1.419 -4.621 -7.555 1.00 10.00 H new ATOM 0 HB ILE A 18 -1.963 -2.874 -5.156 1.00 10.00 H new ATOM 0 HG12 ILE A 18 -0.668 -1.587 -6.682 1.00 10.00 H new ATOM 0 HG13 ILE A 18 0.425 -2.119 -5.419 1.00 10.00 H new ATOM 0 HG21 ILE A 18 -0.015 -3.982 -4.051 1.00 10.00 H new ATOM 0 HG22 ILE A 18 -1.362 -5.101 -4.369 1.00 10.00 H new ATOM 0 HG23 ILE A 18 0.077 -5.121 -5.416 1.00 10.00 H new ATOM 0 HD11 ILE A 18 1.503 -2.243 -7.619 1.00 10.00 H new ATOM 0 HD12 ILE A 18 1.332 -3.871 -6.922 1.00 10.00 H new ATOM 0 HD13 ILE A 18 0.223 -3.332 -8.205 1.00 10.00 H new ATOM 302 N ASP A 19 -2.778 -6.303 -6.094 1.00 10.00 N ATOM 303 CA ASP A 19 -3.656 -7.295 -5.451 1.00 10.00 C ATOM 304 C ASP A 19 -2.882 -8.164 -4.441 1.00 10.00 C ATOM 305 O ASP A 19 -1.779 -8.640 -4.731 1.00 10.00 O ATOM 306 CB ASP A 19 -4.369 -8.146 -6.516 1.00 10.00 C ATOM 307 CG ASP A 19 -3.448 -9.132 -7.262 1.00 10.00 C ATOM 308 OD1 ASP A 19 -2.676 -8.702 -8.152 1.00 10.00 O ATOM 309 OD2 ASP A 19 -3.535 -10.356 -6.995 1.00 10.00 O ATOM 0 H ASP A 19 -1.866 -6.679 -6.351 1.00 10.00 H new ATOM 0 HA ASP A 19 -4.419 -6.763 -4.883 1.00 10.00 H new ATOM 0 HB2 ASP A 19 -5.171 -8.708 -6.038 1.00 10.00 H new ATOM 0 HB3 ASP A 19 -4.835 -7.481 -7.243 1.00 10.00 H new ATOM 314 N ILE A 20 -3.462 -8.359 -3.249 1.00 10.00 N ATOM 315 CA ILE A 20 -2.952 -9.209 -2.152 1.00 10.00 C ATOM 316 C ILE A 20 -4.117 -9.870 -1.398 1.00 10.00 C ATOM 317 O ILE A 20 -5.264 -9.442 -1.525 1.00 10.00 O ATOM 318 CB ILE A 20 -2.032 -8.442 -1.155 1.00 10.00 C ATOM 319 CG1 ILE A 20 -2.746 -7.491 -0.161 1.00 10.00 C ATOM 320 CG2 ILE A 20 -0.848 -7.728 -1.838 1.00 10.00 C ATOM 321 CD1 ILE A 20 -3.613 -6.379 -0.763 1.00 10.00 C ATOM 0 H ILE A 20 -4.344 -7.908 -3.006 1.00 10.00 H new ATOM 0 HA ILE A 20 -2.335 -9.976 -2.620 1.00 10.00 H new ATOM 0 HB ILE A 20 -1.639 -9.253 -0.542 1.00 10.00 H new ATOM 0 HG12 ILE A 20 -3.375 -8.095 0.493 1.00 10.00 H new ATOM 0 HG13 ILE A 20 -1.987 -7.026 0.468 1.00 10.00 H new ATOM 0 HG21 ILE A 20 -0.250 -7.215 -1.085 1.00 10.00 H new ATOM 0 HG22 ILE A 20 -0.230 -8.462 -2.355 1.00 10.00 H new ATOM 0 HG23 ILE A 20 -1.227 -7.002 -2.557 1.00 10.00 H new ATOM 0 HD11 ILE A 20 -4.054 -5.787 0.039 1.00 10.00 H new ATOM 0 HD12 ILE A 20 -2.996 -5.736 -1.391 1.00 10.00 H new ATOM 0 HD13 ILE A 20 -4.406 -6.822 -1.365 1.00 10.00 H new ATOM 333 N ASP A 21 -3.836 -10.892 -0.584 1.00 10.00 N ATOM 334 CA ASP A 21 -4.786 -11.465 0.383 1.00 10.00 C ATOM 335 C ASP A 21 -5.066 -10.473 1.540 1.00 10.00 C ATOM 336 O ASP A 21 -4.160 -10.211 2.335 1.00 10.00 O ATOM 337 CB ASP A 21 -4.254 -12.812 0.891 1.00 10.00 C ATOM 338 CG ASP A 21 -4.247 -13.882 -0.212 1.00 10.00 C ATOM 339 OD1 ASP A 21 -5.330 -14.435 -0.522 1.00 10.00 O ATOM 340 OD2 ASP A 21 -3.166 -14.178 -0.772 1.00 10.00 O ATOM 0 H ASP A 21 -2.927 -11.355 -0.576 1.00 10.00 H new ATOM 0 HA ASP A 21 -5.741 -11.644 -0.112 1.00 10.00 H new ATOM 0 HB2 ASP A 21 -3.242 -12.681 1.275 1.00 10.00 H new ATOM 0 HB3 ASP A 21 -4.869 -13.154 1.724 1.00 10.00 H new ATOM 345 N PRO A 22 -6.281 -9.892 1.673 1.00 10.00 N ATOM 346 CA PRO A 22 -6.590 -8.876 2.686 1.00 10.00 C ATOM 347 C PRO A 22 -6.602 -9.393 4.137 1.00 10.00 C ATOM 348 O PRO A 22 -6.675 -8.601 5.076 1.00 10.00 O ATOM 349 CB PRO A 22 -7.945 -8.286 2.283 1.00 10.00 C ATOM 350 CG PRO A 22 -8.619 -9.446 1.560 1.00 10.00 C ATOM 351 CD PRO A 22 -7.445 -10.079 0.821 1.00 10.00 C ATOM 0 HA PRO A 22 -5.797 -8.128 2.699 1.00 10.00 H new ATOM 0 HB2 PRO A 22 -8.519 -7.963 3.151 1.00 10.00 H new ATOM 0 HB3 PRO A 22 -7.831 -7.417 1.635 1.00 10.00 H new ATOM 0 HG2 PRO A 22 -9.088 -10.143 2.254 1.00 10.00 H new ATOM 0 HG3 PRO A 22 -9.396 -9.105 0.876 1.00 10.00 H new ATOM 0 HD2 PRO A 22 -7.626 -11.138 0.637 1.00 10.00 H new ATOM 0 HD3 PRO A 22 -7.296 -9.607 -0.150 1.00 10.00 H new ATOM 359 N GLU A 23 -6.511 -10.708 4.346 1.00 10.00 N ATOM 360 CA GLU A 23 -6.212 -11.313 5.652 1.00 10.00 C ATOM 361 C GLU A 23 -4.760 -11.078 6.136 1.00 10.00 C ATOM 362 O GLU A 23 -4.471 -11.298 7.314 1.00 10.00 O ATOM 363 CB GLU A 23 -6.543 -12.816 5.601 1.00 10.00 C ATOM 364 CG GLU A 23 -5.539 -13.630 4.772 1.00 10.00 C ATOM 365 CD GLU A 23 -6.096 -15.016 4.408 1.00 10.00 C ATOM 366 OE1 GLU A 23 -6.016 -15.957 5.234 1.00 10.00 O ATOM 367 OE2 GLU A 23 -6.611 -15.178 3.276 1.00 10.00 O ATOM 0 H GLU A 23 -6.644 -11.395 3.604 1.00 10.00 H new ATOM 0 HA GLU A 23 -6.841 -10.813 6.389 1.00 10.00 H new ATOM 0 HB2 GLU A 23 -6.569 -13.210 6.617 1.00 10.00 H new ATOM 0 HB3 GLU A 23 -7.541 -12.947 5.182 1.00 10.00 H new ATOM 0 HG2 GLU A 23 -5.293 -13.085 3.860 1.00 10.00 H new ATOM 0 HG3 GLU A 23 -4.612 -13.746 5.334 1.00 10.00 H new ATOM 374 N GLU A 24 -3.839 -10.640 5.263 1.00 10.00 N ATOM 375 CA GLU A 24 -2.435 -10.379 5.616 1.00 10.00 C ATOM 376 C GLU A 24 -2.222 -8.945 6.134 1.00 10.00 C ATOM 377 O GLU A 24 -3.059 -8.062 5.927 1.00 10.00 O ATOM 378 CB GLU A 24 -1.525 -10.624 4.398 1.00 10.00 C ATOM 379 CG GLU A 24 -1.508 -12.083 3.911 1.00 10.00 C ATOM 380 CD GLU A 24 -0.962 -13.071 4.964 1.00 10.00 C ATOM 381 OE1 GLU A 24 0.044 -12.756 5.648 1.00 10.00 O ATOM 382 OE2 GLU A 24 -1.516 -14.188 5.102 1.00 10.00 O ATOM 0 H GLU A 24 -4.051 -10.455 4.282 1.00 10.00 H new ATOM 0 HA GLU A 24 -2.174 -11.068 6.420 1.00 10.00 H new ATOM 0 HB2 GLU A 24 -1.851 -9.983 3.579 1.00 10.00 H new ATOM 0 HB3 GLU A 24 -0.508 -10.325 4.652 1.00 10.00 H new ATOM 0 HG2 GLU A 24 -2.520 -12.379 3.636 1.00 10.00 H new ATOM 0 HG3 GLU A 24 -0.900 -12.151 3.009 1.00 10.00 H new ATOM 389 N THR A 25 -1.087 -8.697 6.796 1.00 10.00 N ATOM 390 CA THR A 25 -0.676 -7.353 7.249 1.00 10.00 C ATOM 391 C THR A 25 -0.147 -6.501 6.095 1.00 10.00 C ATOM 392 O THR A 25 0.171 -7.007 5.016 1.00 10.00 O ATOM 393 CB THR A 25 0.382 -7.425 8.362 1.00 10.00 C ATOM 394 OG1 THR A 25 1.524 -8.116 7.913 1.00 10.00 O ATOM 395 CG2 THR A 25 -0.138 -8.128 9.616 1.00 10.00 C ATOM 0 H THR A 25 -0.417 -9.427 7.038 1.00 10.00 H new ATOM 0 HA THR A 25 -1.572 -6.879 7.649 1.00 10.00 H new ATOM 0 HB THR A 25 0.630 -6.394 8.616 1.00 10.00 H new ATOM 0 HG1 THR A 25 2.189 -8.152 8.632 1.00 10.00 H new ATOM 0 HG21 THR A 25 0.647 -8.153 10.371 1.00 10.00 H new ATOM 0 HG22 THR A 25 -1.000 -7.586 10.006 1.00 10.00 H new ATOM 0 HG23 THR A 25 -0.433 -9.147 9.366 1.00 10.00 H new ATOM 403 N VAL A 26 -0.014 -5.189 6.330 1.00 10.00 N ATOM 404 CA VAL A 26 0.517 -4.216 5.344 1.00 10.00 C ATOM 405 C VAL A 26 1.877 -4.621 4.755 1.00 10.00 C ATOM 406 O VAL A 26 2.137 -4.313 3.588 1.00 10.00 O ATOM 407 CB VAL A 26 0.563 -2.797 5.939 1.00 10.00 C ATOM 408 CG1 VAL A 26 1.110 -1.729 4.981 1.00 10.00 C ATOM 409 CG2 VAL A 26 -0.851 -2.353 6.322 1.00 10.00 C ATOM 0 H VAL A 26 -0.273 -4.760 7.218 1.00 10.00 H new ATOM 0 HA VAL A 26 -0.181 -4.219 4.507 1.00 10.00 H new ATOM 0 HB VAL A 26 1.235 -2.869 6.794 1.00 10.00 H new ATOM 0 HG11 VAL A 26 1.108 -0.759 5.478 1.00 10.00 H new ATOM 0 HG12 VAL A 26 2.129 -1.987 4.692 1.00 10.00 H new ATOM 0 HG13 VAL A 26 0.482 -1.682 4.092 1.00 10.00 H new ATOM 0 HG21 VAL A 26 -0.815 -1.348 6.743 1.00 10.00 H new ATOM 0 HG22 VAL A 26 -1.485 -2.353 5.435 1.00 10.00 H new ATOM 0 HG23 VAL A 26 -1.261 -3.042 7.061 1.00 10.00 H new ATOM 419 N LYS A 27 2.697 -5.395 5.488 1.00 10.00 N ATOM 420 CA LYS A 27 3.933 -6.024 4.977 1.00 10.00 C ATOM 421 C LYS A 27 3.737 -6.686 3.609 1.00 10.00 C ATOM 422 O LYS A 27 4.544 -6.479 2.709 1.00 10.00 O ATOM 423 CB LYS A 27 4.476 -7.074 5.962 1.00 10.00 C ATOM 424 CG LYS A 27 4.978 -6.489 7.289 1.00 10.00 C ATOM 425 CD LYS A 27 5.763 -7.560 8.067 1.00 10.00 C ATOM 426 CE LYS A 27 6.269 -7.064 9.427 1.00 10.00 C ATOM 427 NZ LYS A 27 5.228 -7.155 10.483 1.00 10.00 N ATOM 0 H LYS A 27 2.518 -5.606 6.470 1.00 10.00 H new ATOM 0 HA LYS A 27 4.653 -5.213 4.867 1.00 10.00 H new ATOM 0 HB2 LYS A 27 3.691 -7.800 6.172 1.00 10.00 H new ATOM 0 HB3 LYS A 27 5.292 -7.616 5.485 1.00 10.00 H new ATOM 0 HG2 LYS A 27 5.615 -5.625 7.098 1.00 10.00 H new ATOM 0 HG3 LYS A 27 4.135 -6.139 7.885 1.00 10.00 H new ATOM 0 HD2 LYS A 27 5.125 -8.431 8.219 1.00 10.00 H new ATOM 0 HD3 LYS A 27 6.612 -7.887 7.467 1.00 10.00 H new ATOM 0 HE2 LYS A 27 7.138 -7.651 9.725 1.00 10.00 H new ATOM 0 HE3 LYS A 27 6.600 -6.030 9.334 1.00 10.00 H new ATOM 0 HZ1 LYS A 27 5.611 -6.793 11.380 1.00 10.00 H new ATOM 0 HZ2 LYS A 27 4.401 -6.588 10.205 1.00 10.00 H new ATOM 0 HZ3 LYS A 27 4.942 -8.148 10.604 1.00 10.00 H new ATOM 441 N ALA A 28 2.650 -7.436 3.428 1.00 10.00 N ATOM 442 CA ALA A 28 2.401 -8.213 2.215 1.00 10.00 C ATOM 443 C ALA A 28 2.205 -7.365 0.945 1.00 10.00 C ATOM 444 O ALA A 28 2.512 -7.835 -0.154 1.00 10.00 O ATOM 445 CB ALA A 28 1.177 -9.100 2.462 1.00 10.00 C ATOM 0 H ALA A 28 1.911 -7.522 4.126 1.00 10.00 H new ATOM 0 HA ALA A 28 3.294 -8.807 2.019 1.00 10.00 H new ATOM 0 HB1 ALA A 28 0.970 -9.691 1.570 1.00 10.00 H new ATOM 0 HB2 ALA A 28 1.374 -9.767 3.301 1.00 10.00 H new ATOM 0 HB3 ALA A 28 0.314 -8.474 2.691 1.00 10.00 H new ATOM 451 N LEU A 29 1.729 -6.122 1.081 1.00 10.00 N ATOM 452 CA LEU A 29 1.542 -5.194 -0.033 1.00 10.00 C ATOM 453 C LEU A 29 2.745 -4.241 -0.130 1.00 10.00 C ATOM 454 O LEU A 29 3.267 -4.023 -1.220 1.00 10.00 O ATOM 455 CB LEU A 29 0.136 -4.553 0.093 1.00 10.00 C ATOM 456 CG LEU A 29 0.072 -3.029 0.269 1.00 10.00 C ATOM 457 CD1 LEU A 29 0.245 -2.290 -1.061 1.00 10.00 C ATOM 458 CD2 LEU A 29 -1.282 -2.613 0.842 1.00 10.00 C ATOM 0 H LEU A 29 1.460 -5.730 1.983 1.00 10.00 H new ATOM 0 HA LEU A 29 1.538 -5.690 -1.004 1.00 10.00 H new ATOM 0 HB2 LEU A 29 -0.435 -4.814 -0.798 1.00 10.00 H new ATOM 0 HB3 LEU A 29 -0.370 -5.013 0.942 1.00 10.00 H new ATOM 0 HG LEU A 29 0.885 -2.765 0.945 1.00 10.00 H new ATOM 0 HD11 LEU A 29 0.193 -1.215 -0.889 1.00 10.00 H new ATOM 0 HD12 LEU A 29 1.213 -2.542 -1.494 1.00 10.00 H new ATOM 0 HD13 LEU A 29 -0.548 -2.586 -1.748 1.00 10.00 H new ATOM 0 HD21 LEU A 29 -1.310 -1.530 0.960 1.00 10.00 H new ATOM 0 HD22 LEU A 29 -2.076 -2.924 0.163 1.00 10.00 H new ATOM 0 HD23 LEU A 29 -1.428 -3.088 1.812 1.00 10.00 H new ATOM 470 N LYS A 30 3.271 -3.731 0.990 1.00 10.00 N ATOM 471 CA LYS A 30 4.400 -2.793 0.953 1.00 10.00 C ATOM 472 C LYS A 30 5.710 -3.456 0.507 1.00 10.00 C ATOM 473 O LYS A 30 6.522 -2.819 -0.161 1.00 10.00 O ATOM 474 CB LYS A 30 4.472 -2.018 2.288 1.00 10.00 C ATOM 475 CG LYS A 30 5.106 -2.780 3.461 1.00 10.00 C ATOM 476 CD LYS A 30 6.590 -2.436 3.667 1.00 10.00 C ATOM 477 CE LYS A 30 6.799 -1.062 4.323 1.00 10.00 C ATOM 478 NZ LYS A 30 6.740 -1.132 5.804 1.00 10.00 N ATOM 0 H LYS A 30 2.936 -3.950 1.928 1.00 10.00 H new ATOM 0 HA LYS A 30 4.229 -2.051 0.173 1.00 10.00 H new ATOM 0 HB2 LYS A 30 5.037 -1.100 2.125 1.00 10.00 H new ATOM 0 HB3 LYS A 30 3.462 -1.724 2.572 1.00 10.00 H new ATOM 0 HG2 LYS A 30 4.556 -2.554 4.374 1.00 10.00 H new ATOM 0 HG3 LYS A 30 5.008 -3.852 3.287 1.00 10.00 H new ATOM 0 HD2 LYS A 30 7.053 -3.203 4.287 1.00 10.00 H new ATOM 0 HD3 LYS A 30 7.099 -2.454 2.704 1.00 10.00 H new ATOM 0 HE2 LYS A 30 7.765 -0.659 4.018 1.00 10.00 H new ATOM 0 HE3 LYS A 30 6.037 -0.370 3.963 1.00 10.00 H new ATOM 0 HZ1 LYS A 30 6.613 -0.175 6.192 1.00 10.00 H new ATOM 0 HZ2 LYS A 30 5.940 -1.731 6.092 1.00 10.00 H new ATOM 0 HZ3 LYS A 30 7.625 -1.539 6.168 1.00 10.00 H new ATOM 492 N GLU A 31 5.898 -4.751 0.781 1.00 10.00 N ATOM 493 CA GLU A 31 7.037 -5.507 0.243 1.00 10.00 C ATOM 494 C GLU A 31 6.915 -5.788 -1.263 1.00 10.00 C ATOM 495 O GLU A 31 7.943 -5.883 -1.935 1.00 10.00 O ATOM 496 CB GLU A 31 7.233 -6.826 1.008 1.00 10.00 C ATOM 497 CG GLU A 31 7.739 -6.592 2.443 1.00 10.00 C ATOM 498 CD GLU A 31 7.854 -7.887 3.279 1.00 10.00 C ATOM 499 OE1 GLU A 31 7.808 -9.015 2.725 1.00 10.00 O ATOM 500 OE2 GLU A 31 8.030 -7.784 4.518 1.00 10.00 O ATOM 0 H GLU A 31 5.275 -5.300 1.374 1.00 10.00 H new ATOM 0 HA GLU A 31 7.913 -4.873 0.383 1.00 10.00 H new ATOM 0 HB2 GLU A 31 6.289 -7.370 1.041 1.00 10.00 H new ATOM 0 HB3 GLU A 31 7.944 -7.454 0.471 1.00 10.00 H new ATOM 0 HG2 GLU A 31 8.715 -6.109 2.401 1.00 10.00 H new ATOM 0 HG3 GLU A 31 7.064 -5.902 2.949 1.00 10.00 H new ATOM 507 N LYS A 32 5.697 -5.892 -1.827 1.00 10.00 N ATOM 508 CA LYS A 32 5.532 -6.204 -3.254 1.00 10.00 C ATOM 509 C LYS A 32 5.784 -4.987 -4.150 1.00 10.00 C ATOM 510 O LYS A 32 6.416 -5.143 -5.193 1.00 10.00 O ATOM 511 CB LYS A 32 4.191 -6.930 -3.497 1.00 10.00 C ATOM 512 CG LYS A 32 2.976 -6.047 -3.832 1.00 10.00 C ATOM 513 CD LYS A 32 2.823 -5.756 -5.331 1.00 10.00 C ATOM 514 CE LYS A 32 2.336 -6.999 -6.093 1.00 10.00 C ATOM 515 NZ LYS A 32 2.209 -6.763 -7.555 1.00 10.00 N ATOM 0 H LYS A 32 4.821 -5.765 -1.319 1.00 10.00 H new ATOM 0 HA LYS A 32 6.308 -6.908 -3.554 1.00 10.00 H new ATOM 0 HB2 LYS A 32 4.331 -7.639 -4.313 1.00 10.00 H new ATOM 0 HB3 LYS A 32 3.953 -7.512 -2.606 1.00 10.00 H new ATOM 0 HG2 LYS A 32 2.071 -6.536 -3.471 1.00 10.00 H new ATOM 0 HG3 LYS A 32 3.064 -5.103 -3.294 1.00 10.00 H new ATOM 0 HD2 LYS A 32 2.117 -4.938 -5.475 1.00 10.00 H new ATOM 0 HD3 LYS A 32 3.779 -5.427 -5.739 1.00 10.00 H new ATOM 0 HE2 LYS A 32 3.031 -7.821 -5.921 1.00 10.00 H new ATOM 0 HE3 LYS A 32 1.370 -7.309 -5.694 1.00 10.00 H new ATOM 0 HZ1 LYS A 32 1.845 -7.622 -8.015 1.00 10.00 H new ATOM 0 HZ2 LYS A 32 1.551 -5.975 -7.724 1.00 10.00 H new ATOM 0 HZ3 LYS A 32 3.141 -6.527 -7.951 1.00 10.00 H new ATOM 529 N ILE A 33 5.353 -3.778 -3.761 1.00 10.00 N ATOM 530 CA ILE A 33 5.539 -2.573 -4.594 1.00 10.00 C ATOM 531 C ILE A 33 7.014 -2.148 -4.708 1.00 10.00 C ATOM 532 O ILE A 33 7.396 -1.516 -5.692 1.00 10.00 O ATOM 533 CB ILE A 33 4.598 -1.411 -4.202 1.00 10.00 C ATOM 534 CG1 ILE A 33 4.992 -0.630 -2.929 1.00 10.00 C ATOM 535 CG2 ILE A 33 3.146 -1.906 -4.104 1.00 10.00 C ATOM 536 CD1 ILE A 33 5.846 0.606 -3.251 1.00 10.00 C ATOM 0 H ILE A 33 4.874 -3.605 -2.877 1.00 10.00 H new ATOM 0 HA ILE A 33 5.236 -2.860 -5.601 1.00 10.00 H new ATOM 0 HB ILE A 33 4.701 -0.687 -5.010 1.00 10.00 H new ATOM 0 HG12 ILE A 33 4.090 -0.320 -2.401 1.00 10.00 H new ATOM 0 HG13 ILE A 33 5.545 -1.287 -2.257 1.00 10.00 H new ATOM 0 HG21 ILE A 33 2.496 -1.076 -3.827 1.00 10.00 H new ATOM 0 HG22 ILE A 33 2.832 -2.306 -5.068 1.00 10.00 H new ATOM 0 HG23 ILE A 33 3.078 -2.688 -3.347 1.00 10.00 H new ATOM 0 HD11 ILE A 33 6.099 1.124 -2.326 1.00 10.00 H new ATOM 0 HD12 ILE A 33 6.761 0.295 -3.755 1.00 10.00 H new ATOM 0 HD13 ILE A 33 5.284 1.277 -3.901 1.00 10.00 H new ATOM 548 N GLU A 34 7.875 -2.566 -3.768 1.00 10.00 N ATOM 549 CA GLU A 34 9.337 -2.453 -3.909 1.00 10.00 C ATOM 550 C GLU A 34 9.850 -3.179 -5.170 1.00 10.00 C ATOM 551 O GLU A 34 10.724 -2.665 -5.865 1.00 10.00 O ATOM 552 CB GLU A 34 10.031 -2.991 -2.645 1.00 10.00 C ATOM 553 CG GLU A 34 11.544 -2.726 -2.648 1.00 10.00 C ATOM 554 CD GLU A 34 12.245 -3.318 -1.408 1.00 10.00 C ATOM 555 OE1 GLU A 34 12.444 -4.556 -1.358 1.00 10.00 O ATOM 556 OE2 GLU A 34 12.621 -2.548 -0.496 1.00 10.00 O ATOM 0 H GLU A 34 7.579 -2.991 -2.889 1.00 10.00 H new ATOM 0 HA GLU A 34 9.583 -1.398 -4.026 1.00 10.00 H new ATOM 0 HB2 GLU A 34 9.586 -2.528 -1.765 1.00 10.00 H new ATOM 0 HB3 GLU A 34 9.853 -4.063 -2.565 1.00 10.00 H new ATOM 0 HG2 GLU A 34 11.984 -3.153 -3.549 1.00 10.00 H new ATOM 0 HG3 GLU A 34 11.722 -1.651 -2.685 1.00 10.00 H new ATOM 563 N SER A 35 9.269 -4.332 -5.529 1.00 10.00 N ATOM 564 CA SER A 35 9.592 -5.063 -6.768 1.00 10.00 C ATOM 565 C SER A 35 8.991 -4.429 -8.033 1.00 10.00 C ATOM 566 O SER A 35 9.436 -4.734 -9.142 1.00 10.00 O ATOM 567 CB SER A 35 9.116 -6.521 -6.674 1.00 10.00 C ATOM 568 OG SER A 35 9.704 -7.176 -5.560 1.00 10.00 O ATOM 0 H SER A 35 8.554 -4.790 -4.964 1.00 10.00 H new ATOM 0 HA SER A 35 10.677 -5.015 -6.861 1.00 10.00 H new ATOM 0 HB2 SER A 35 8.030 -6.548 -6.585 1.00 10.00 H new ATOM 0 HB3 SER A 35 9.374 -7.052 -7.591 1.00 10.00 H new ATOM 0 HG SER A 35 9.385 -8.102 -5.519 1.00 10.00 H new ATOM 574 N GLU A 36 7.998 -3.540 -7.901 1.00 10.00 N ATOM 575 CA GLU A 36 7.364 -2.837 -9.031 1.00 10.00 C ATOM 576 C GLU A 36 8.103 -1.540 -9.412 1.00 10.00 C ATOM 577 O GLU A 36 8.107 -1.152 -10.583 1.00 10.00 O ATOM 578 CB GLU A 36 5.916 -2.462 -8.666 1.00 10.00 C ATOM 579 CG GLU A 36 4.995 -3.634 -8.292 1.00 10.00 C ATOM 580 CD GLU A 36 4.754 -4.667 -9.411 1.00 10.00 C ATOM 581 OE1 GLU A 36 4.951 -4.367 -10.614 1.00 10.00 O ATOM 582 OE2 GLU A 36 4.312 -5.792 -9.077 1.00 10.00 O ATOM 0 H GLU A 36 7.605 -3.283 -6.995 1.00 10.00 H new ATOM 0 HA GLU A 36 7.398 -3.520 -9.880 1.00 10.00 H new ATOM 0 HB2 GLU A 36 5.942 -1.764 -7.830 1.00 10.00 H new ATOM 0 HB3 GLU A 36 5.474 -1.932 -9.510 1.00 10.00 H new ATOM 0 HG2 GLU A 36 5.421 -4.149 -7.431 1.00 10.00 H new ATOM 0 HG3 GLU A 36 4.032 -3.232 -7.978 1.00 10.00 H new ATOM 589 N LYS A 37 8.721 -0.868 -8.426 1.00 10.00 N ATOM 590 CA LYS A 37 9.280 0.497 -8.553 1.00 10.00 C ATOM 591 C LYS A 37 10.754 0.619 -8.141 1.00 10.00 C ATOM 592 O LYS A 37 11.396 1.626 -8.446 1.00 10.00 O ATOM 593 CB LYS A 37 8.408 1.472 -7.746 1.00 10.00 C ATOM 594 CG LYS A 37 6.951 1.500 -8.235 1.00 10.00 C ATOM 595 CD LYS A 37 6.137 2.532 -7.450 1.00 10.00 C ATOM 596 CE LYS A 37 4.656 2.529 -7.845 1.00 10.00 C ATOM 597 NZ LYS A 37 4.429 2.962 -9.250 1.00 10.00 N ATOM 0 H LYS A 37 8.851 -1.264 -7.495 1.00 10.00 H new ATOM 0 HA LYS A 37 9.262 0.748 -9.614 1.00 10.00 H new ATOM 0 HB2 LYS A 37 8.430 1.188 -6.694 1.00 10.00 H new ATOM 0 HB3 LYS A 37 8.830 2.474 -7.815 1.00 10.00 H new ATOM 0 HG2 LYS A 37 6.923 1.740 -9.298 1.00 10.00 H new ATOM 0 HG3 LYS A 37 6.504 0.513 -8.119 1.00 10.00 H new ATOM 0 HD2 LYS A 37 6.226 2.326 -6.383 1.00 10.00 H new ATOM 0 HD3 LYS A 37 6.554 3.525 -7.619 1.00 10.00 H new ATOM 0 HE2 LYS A 37 4.251 1.526 -7.710 1.00 10.00 H new ATOM 0 HE3 LYS A 37 4.105 3.188 -7.174 1.00 10.00 H new ATOM 0 HZ1 LYS A 37 3.411 3.103 -9.410 1.00 10.00 H new ATOM 0 HZ2 LYS A 37 4.934 3.854 -9.424 1.00 10.00 H new ATOM 0 HZ3 LYS A 37 4.783 2.231 -9.900 1.00 10.00 H new ATOM 611 N GLY A 38 11.292 -0.406 -7.487 1.00 10.00 N ATOM 612 CA GLY A 38 12.688 -0.533 -7.066 1.00 10.00 C ATOM 613 C GLY A 38 12.925 -0.074 -5.625 1.00 10.00 C ATOM 614 O GLY A 38 12.423 0.969 -5.196 1.00 10.00 O ATOM 0 H GLY A 38 10.735 -1.218 -7.220 1.00 10.00 H new ATOM 0 HA2 GLY A 38 12.998 -1.573 -7.165 1.00 10.00 H new ATOM 0 HA3 GLY A 38 13.318 0.053 -7.736 1.00 10.00 H new ATOM 618 N LYS A 39 13.772 -0.808 -4.892 1.00 10.00 N ATOM 619 CA LYS A 39 14.314 -0.440 -3.575 1.00 10.00 C ATOM 620 C LYS A 39 15.007 0.926 -3.588 1.00 10.00 C ATOM 621 O LYS A 39 14.932 1.681 -2.624 1.00 10.00 O ATOM 622 CB LYS A 39 15.248 -1.596 -3.179 1.00 10.00 C ATOM 623 CG LYS A 39 15.797 -1.568 -1.753 1.00 10.00 C ATOM 624 CD LYS A 39 16.981 -0.616 -1.540 1.00 10.00 C ATOM 625 CE LYS A 39 17.831 -1.155 -0.392 1.00 10.00 C ATOM 626 NZ LYS A 39 18.987 -0.272 -0.089 1.00 10.00 N ATOM 0 H LYS A 39 14.114 -1.714 -5.213 1.00 10.00 H new ATOM 0 HA LYS A 39 13.523 -0.314 -2.836 1.00 10.00 H new ATOM 0 HB2 LYS A 39 14.710 -2.533 -3.320 1.00 10.00 H new ATOM 0 HB3 LYS A 39 16.091 -1.606 -3.870 1.00 10.00 H new ATOM 0 HG2 LYS A 39 14.993 -1.283 -1.074 1.00 10.00 H new ATOM 0 HG3 LYS A 39 16.105 -2.576 -1.477 1.00 10.00 H new ATOM 0 HD2 LYS A 39 17.576 -0.541 -2.450 1.00 10.00 H new ATOM 0 HD3 LYS A 39 16.624 0.388 -1.309 1.00 10.00 H new ATOM 0 HE2 LYS A 39 17.212 -1.259 0.499 1.00 10.00 H new ATOM 0 HE3 LYS A 39 18.193 -2.151 -0.647 1.00 10.00 H new ATOM 0 HZ1 LYS A 39 19.536 -0.676 0.696 1.00 10.00 H new ATOM 0 HZ2 LYS A 39 19.593 -0.192 -0.930 1.00 10.00 H new ATOM 0 HZ3 LYS A 39 18.642 0.672 0.180 1.00 10.00 H new ATOM 640 N ASP A 40 15.612 1.271 -4.721 1.00 10.00 N ATOM 641 CA ASP A 40 16.232 2.576 -5.007 1.00 10.00 C ATOM 642 C ASP A 40 15.268 3.788 -4.916 1.00 10.00 C ATOM 643 O ASP A 40 15.729 4.923 -4.784 1.00 10.00 O ATOM 644 CB ASP A 40 16.878 2.491 -6.399 1.00 10.00 C ATOM 645 CG ASP A 40 17.753 3.714 -6.731 1.00 10.00 C ATOM 646 OD1 ASP A 40 18.797 3.911 -6.062 1.00 10.00 O ATOM 647 OD2 ASP A 40 17.426 4.454 -7.689 1.00 10.00 O ATOM 0 H ASP A 40 15.691 0.624 -5.505 1.00 10.00 H new ATOM 0 HA ASP A 40 16.972 2.767 -4.230 1.00 10.00 H new ATOM 0 HB2 ASP A 40 17.487 1.589 -6.457 1.00 10.00 H new ATOM 0 HB3 ASP A 40 16.095 2.396 -7.152 1.00 10.00 H new ATOM 652 N ALA A 41 13.946 3.564 -4.944 1.00 10.00 N ATOM 653 CA ALA A 41 12.917 4.616 -4.913 1.00 10.00 C ATOM 654 C ALA A 41 11.808 4.389 -3.861 1.00 10.00 C ATOM 655 O ALA A 41 11.252 5.363 -3.348 1.00 10.00 O ATOM 656 CB ALA A 41 12.328 4.734 -6.324 1.00 10.00 C ATOM 0 H ALA A 41 13.552 2.624 -4.990 1.00 10.00 H new ATOM 0 HA ALA A 41 13.394 5.546 -4.604 1.00 10.00 H new ATOM 0 HB1 ALA A 41 11.560 5.508 -6.334 1.00 10.00 H new ATOM 0 HB2 ALA A 41 13.118 4.998 -7.027 1.00 10.00 H new ATOM 0 HB3 ALA A 41 11.887 3.781 -6.615 1.00 10.00 H new ATOM 662 N PHE A 42 11.517 3.136 -3.496 1.00 10.00 N ATOM 663 CA PHE A 42 10.496 2.748 -2.509 1.00 10.00 C ATOM 664 C PHE A 42 11.015 1.640 -1.561 1.00 10.00 C ATOM 665 O PHE A 42 10.457 0.537 -1.528 1.00 10.00 O ATOM 666 CB PHE A 42 9.194 2.352 -3.238 1.00 10.00 C ATOM 667 CG PHE A 42 8.467 3.510 -3.900 1.00 10.00 C ATOM 668 CD1 PHE A 42 8.775 3.885 -5.223 1.00 10.00 C ATOM 669 CD2 PHE A 42 7.484 4.222 -3.187 1.00 10.00 C ATOM 670 CE1 PHE A 42 8.120 4.976 -5.818 1.00 10.00 C ATOM 671 CE2 PHE A 42 6.816 5.305 -3.787 1.00 10.00 C ATOM 672 CZ PHE A 42 7.135 5.683 -5.104 1.00 10.00 C ATOM 0 H PHE A 42 12.003 2.332 -3.893 1.00 10.00 H new ATOM 0 HA PHE A 42 10.272 3.602 -1.870 1.00 10.00 H new ATOM 0 HB2 PHE A 42 9.430 1.606 -3.997 1.00 10.00 H new ATOM 0 HB3 PHE A 42 8.522 1.878 -2.523 1.00 10.00 H new ATOM 0 HD1 PHE A 42 9.516 3.332 -5.781 1.00 10.00 H new ATOM 0 HD2 PHE A 42 7.241 3.935 -2.174 1.00 10.00 H new ATOM 0 HE1 PHE A 42 8.373 5.273 -6.825 1.00 10.00 H new ATOM 0 HE2 PHE A 42 6.059 5.845 -3.237 1.00 10.00 H new ATOM 0 HZ PHE A 42 6.624 6.515 -5.566 1.00 10.00 H new ATOM 682 N PRO A 43 12.098 1.886 -0.792 1.00 10.00 N ATOM 683 CA PRO A 43 12.684 0.886 0.099 1.00 10.00 C ATOM 684 C PRO A 43 11.714 0.505 1.221 1.00 10.00 C ATOM 685 O PRO A 43 11.122 1.374 1.864 1.00 10.00 O ATOM 686 CB PRO A 43 13.959 1.525 0.658 1.00 10.00 C ATOM 687 CG PRO A 43 13.670 3.024 0.601 1.00 10.00 C ATOM 688 CD PRO A 43 12.778 3.166 -0.631 1.00 10.00 C ATOM 0 HA PRO A 43 12.903 -0.040 -0.432 1.00 10.00 H new ATOM 0 HB2 PRO A 43 14.158 1.194 1.677 1.00 10.00 H new ATOM 0 HB3 PRO A 43 14.833 1.263 0.061 1.00 10.00 H new ATOM 0 HG2 PRO A 43 13.167 3.371 1.504 1.00 10.00 H new ATOM 0 HG3 PRO A 43 14.586 3.606 0.503 1.00 10.00 H new ATOM 0 HD2 PRO A 43 12.059 3.975 -0.500 1.00 10.00 H new ATOM 0 HD3 PRO A 43 13.370 3.406 -1.514 1.00 10.00 H new ATOM 696 N VAL A 44 11.584 -0.790 1.513 1.00 10.00 N ATOM 697 CA VAL A 44 10.749 -1.327 2.615 1.00 10.00 C ATOM 698 C VAL A 44 11.074 -0.690 3.975 1.00 10.00 C ATOM 699 O VAL A 44 10.172 -0.475 4.787 1.00 10.00 O ATOM 700 CB VAL A 44 10.859 -2.866 2.647 1.00 10.00 C ATOM 701 CG1 VAL A 44 10.378 -3.512 3.952 1.00 10.00 C ATOM 702 CG2 VAL A 44 10.009 -3.447 1.511 1.00 10.00 C ATOM 0 H VAL A 44 12.062 -1.520 0.985 1.00 10.00 H new ATOM 0 HA VAL A 44 9.712 -1.057 2.415 1.00 10.00 H new ATOM 0 HB VAL A 44 11.921 -3.089 2.546 1.00 10.00 H new ATOM 0 HG11 VAL A 44 10.492 -4.594 3.886 1.00 10.00 H new ATOM 0 HG12 VAL A 44 10.972 -3.135 4.785 1.00 10.00 H new ATOM 0 HG13 VAL A 44 9.328 -3.267 4.114 1.00 10.00 H new ATOM 0 HG21 VAL A 44 10.079 -4.535 1.524 1.00 10.00 H new ATOM 0 HG22 VAL A 44 8.969 -3.149 1.645 1.00 10.00 H new ATOM 0 HG23 VAL A 44 10.374 -3.071 0.555 1.00 10.00 H new ATOM 712 N ALA A 45 12.337 -0.317 4.202 1.00 10.00 N ATOM 713 CA ALA A 45 12.811 0.383 5.401 1.00 10.00 C ATOM 714 C ALA A 45 12.339 1.853 5.541 1.00 10.00 C ATOM 715 O ALA A 45 12.556 2.455 6.595 1.00 10.00 O ATOM 716 CB ALA A 45 14.343 0.301 5.396 1.00 10.00 C ATOM 0 H ALA A 45 13.084 -0.500 3.533 1.00 10.00 H new ATOM 0 HA ALA A 45 12.371 -0.112 6.267 1.00 10.00 H new ATOM 0 HB1 ALA A 45 14.738 0.811 6.275 1.00 10.00 H new ATOM 0 HB2 ALA A 45 14.651 -0.744 5.415 1.00 10.00 H new ATOM 0 HB3 ALA A 45 14.730 0.777 4.495 1.00 10.00 H new ATOM 722 N GLY A 46 11.714 2.442 4.510 1.00 10.00 N ATOM 723 CA GLY A 46 11.366 3.873 4.465 1.00 10.00 C ATOM 724 C GLY A 46 10.038 4.236 3.788 1.00 10.00 C ATOM 725 O GLY A 46 9.593 5.378 3.931 1.00 10.00 O ATOM 0 H GLY A 46 11.432 1.932 3.673 1.00 10.00 H new ATOM 0 HA2 GLY A 46 11.341 4.250 5.487 1.00 10.00 H new ATOM 0 HA3 GLY A 46 12.167 4.402 3.949 1.00 10.00 H new ATOM 729 N GLN A 47 9.380 3.319 3.068 1.00 10.00 N ATOM 730 CA GLN A 47 8.042 3.578 2.507 1.00 10.00 C ATOM 731 C GLN A 47 6.918 3.472 3.562 1.00 10.00 C ATOM 732 O GLN A 47 7.014 2.708 4.527 1.00 10.00 O ATOM 733 CB GLN A 47 7.772 2.710 1.264 1.00 10.00 C ATOM 734 CG GLN A 47 7.661 1.207 1.546 1.00 10.00 C ATOM 735 CD GLN A 47 7.059 0.452 0.367 1.00 10.00 C ATOM 736 OE1 GLN A 47 5.849 0.366 0.223 1.00 10.00 O ATOM 737 NE2 GLN A 47 7.850 -0.121 -0.511 1.00 10.00 N ATOM 0 H GLN A 47 9.749 2.391 2.859 1.00 10.00 H new ATOM 0 HA GLN A 47 8.035 4.617 2.178 1.00 10.00 H new ATOM 0 HB2 GLN A 47 6.848 3.047 0.795 1.00 10.00 H new ATOM 0 HB3 GLN A 47 8.573 2.873 0.543 1.00 10.00 H new ATOM 0 HG2 GLN A 47 8.650 0.805 1.768 1.00 10.00 H new ATOM 0 HG3 GLN A 47 7.046 1.048 2.432 1.00 10.00 H new ATOM 0 HE21 GLN A 47 8.862 -0.057 -0.403 1.00 10.00 H new ATOM 0 HE22 GLN A 47 7.452 -0.630 -1.301 1.00 10.00 H new ATOM 746 N LYS A 48 5.836 4.233 3.353 1.00 10.00 N ATOM 747 CA LYS A 48 4.661 4.395 4.240 1.00 10.00 C ATOM 748 C LYS A 48 3.355 4.448 3.442 1.00 10.00 C ATOM 749 O LYS A 48 3.381 4.724 2.242 1.00 10.00 O ATOM 750 CB LYS A 48 4.800 5.677 5.083 1.00 10.00 C ATOM 751 CG LYS A 48 6.085 5.681 5.922 1.00 10.00 C ATOM 752 CD LYS A 48 6.081 6.818 6.953 1.00 10.00 C ATOM 753 CE LYS A 48 7.304 6.768 7.882 1.00 10.00 C ATOM 754 NZ LYS A 48 7.232 5.647 8.858 1.00 10.00 N ATOM 0 H LYS A 48 5.745 4.792 2.505 1.00 10.00 H new ATOM 0 HA LYS A 48 4.626 3.526 4.897 1.00 10.00 H new ATOM 0 HB2 LYS A 48 4.795 6.545 4.424 1.00 10.00 H new ATOM 0 HB3 LYS A 48 3.937 5.772 5.742 1.00 10.00 H new ATOM 0 HG2 LYS A 48 6.189 4.725 6.434 1.00 10.00 H new ATOM 0 HG3 LYS A 48 6.949 5.787 5.266 1.00 10.00 H new ATOM 0 HD2 LYS A 48 6.061 7.776 6.434 1.00 10.00 H new ATOM 0 HD3 LYS A 48 5.171 6.760 7.551 1.00 10.00 H new ATOM 0 HE2 LYS A 48 8.208 6.666 7.282 1.00 10.00 H new ATOM 0 HE3 LYS A 48 7.385 7.711 8.422 1.00 10.00 H new ATOM 0 HZ1 LYS A 48 8.063 5.677 9.483 1.00 10.00 H new ATOM 0 HZ2 LYS A 48 6.367 5.738 9.428 1.00 10.00 H new ATOM 0 HZ3 LYS A 48 7.216 4.742 8.346 1.00 10.00 H new ATOM 768 N LEU A 49 2.214 4.188 4.094 1.00 10.00 N ATOM 769 CA LEU A 49 0.894 4.127 3.444 1.00 10.00 C ATOM 770 C LEU A 49 -0.227 4.806 4.255 1.00 10.00 C ATOM 771 O LEU A 49 -0.248 4.776 5.487 1.00 10.00 O ATOM 772 CB LEU A 49 0.509 2.667 3.120 1.00 10.00 C ATOM 773 CG LEU A 49 1.370 1.990 2.038 1.00 10.00 C ATOM 774 CD1 LEU A 49 2.547 1.192 2.609 1.00 10.00 C ATOM 775 CD2 LEU A 49 0.533 0.996 1.230 1.00 10.00 C ATOM 0 H LEU A 49 2.179 4.012 5.098 1.00 10.00 H new ATOM 0 HA LEU A 49 0.992 4.693 2.518 1.00 10.00 H new ATOM 0 HB2 LEU A 49 0.574 2.079 4.035 1.00 10.00 H new ATOM 0 HB3 LEU A 49 -0.533 2.645 2.800 1.00 10.00 H new ATOM 0 HG LEU A 49 1.749 2.808 1.425 1.00 10.00 H new ATOM 0 HD11 LEU A 49 3.111 0.742 1.793 1.00 10.00 H new ATOM 0 HD12 LEU A 49 3.198 1.858 3.176 1.00 10.00 H new ATOM 0 HD13 LEU A 49 2.170 0.408 3.266 1.00 10.00 H new ATOM 0 HD21 LEU A 49 1.158 0.527 0.470 1.00 10.00 H new ATOM 0 HD22 LEU A 49 0.135 0.230 1.896 1.00 10.00 H new ATOM 0 HD23 LEU A 49 -0.291 1.522 0.748 1.00 10.00 H new ATOM 787 N ILE A 50 -1.197 5.368 3.524 1.00 10.00 N ATOM 788 CA ILE A 50 -2.373 6.110 4.023 1.00 10.00 C ATOM 789 C ILE A 50 -3.650 5.646 3.303 1.00 10.00 C ATOM 790 O ILE A 50 -3.631 5.433 2.093 1.00 10.00 O ATOM 791 CB ILE A 50 -2.152 7.635 3.808 1.00 10.00 C ATOM 792 CG1 ILE A 50 -1.199 8.265 4.847 1.00 10.00 C ATOM 793 CG2 ILE A 50 -3.460 8.454 3.768 1.00 10.00 C ATOM 794 CD1 ILE A 50 -1.811 8.500 6.236 1.00 10.00 C ATOM 0 H ILE A 50 -1.186 5.317 2.505 1.00 10.00 H new ATOM 0 HA ILE A 50 -2.494 5.911 5.088 1.00 10.00 H new ATOM 0 HB ILE A 50 -1.686 7.687 2.824 1.00 10.00 H new ATOM 0 HG12 ILE A 50 -0.328 7.619 4.956 1.00 10.00 H new ATOM 0 HG13 ILE A 50 -0.842 9.219 4.458 1.00 10.00 H new ATOM 0 HG21 ILE A 50 -3.225 9.507 3.615 1.00 10.00 H new ATOM 0 HG22 ILE A 50 -4.086 8.099 2.950 1.00 10.00 H new ATOM 0 HG23 ILE A 50 -3.993 8.334 4.711 1.00 10.00 H new ATOM 0 HD11 ILE A 50 -1.063 8.945 6.893 1.00 10.00 H new ATOM 0 HD12 ILE A 50 -2.664 9.173 6.149 1.00 10.00 H new ATOM 0 HD13 ILE A 50 -2.141 7.549 6.654 1.00 10.00 H new ATOM 806 N TYR A 51 -4.781 5.600 4.011 1.00 10.00 N ATOM 807 CA TYR A 51 -6.117 5.396 3.433 1.00 10.00 C ATOM 808 C TYR A 51 -7.095 6.471 3.925 1.00 10.00 C ATOM 809 O TYR A 51 -7.654 6.365 5.018 1.00 10.00 O ATOM 810 CB TYR A 51 -6.617 3.980 3.740 1.00 10.00 C ATOM 811 CG TYR A 51 -7.964 3.616 3.137 1.00 10.00 C ATOM 812 CD1 TYR A 51 -8.150 3.623 1.739 1.00 10.00 C ATOM 813 CD2 TYR A 51 -9.015 3.189 3.973 1.00 10.00 C ATOM 814 CE1 TYR A 51 -9.365 3.184 1.178 1.00 10.00 C ATOM 815 CE2 TYR A 51 -10.224 2.726 3.417 1.00 10.00 C ATOM 816 CZ TYR A 51 -10.404 2.730 2.016 1.00 10.00 C ATOM 817 OH TYR A 51 -11.566 2.277 1.465 1.00 10.00 O ATOM 0 H TYR A 51 -4.797 5.706 5.025 1.00 10.00 H new ATOM 0 HA TYR A 51 -6.052 5.496 2.350 1.00 10.00 H new ATOM 0 HB2 TYR A 51 -5.874 3.266 3.384 1.00 10.00 H new ATOM 0 HB3 TYR A 51 -6.679 3.862 4.822 1.00 10.00 H new ATOM 0 HD1 TYR A 51 -7.355 3.967 1.094 1.00 10.00 H new ATOM 0 HD2 TYR A 51 -8.893 3.217 5.046 1.00 10.00 H new ATOM 0 HE1 TYR A 51 -9.501 3.195 0.107 1.00 10.00 H new ATOM 0 HE2 TYR A 51 -11.013 2.368 4.062 1.00 10.00 H new ATOM 0 HH TYR A 51 -11.919 1.540 2.006 1.00 10.00 H new ATOM 827 N ALA A 52 -7.258 7.538 3.132 1.00 10.00 N ATOM 828 CA ALA A 52 -8.208 8.647 3.330 1.00 10.00 C ATOM 829 C ALA A 52 -8.195 9.319 4.732 1.00 10.00 C ATOM 830 O ALA A 52 -9.189 9.923 5.146 1.00 10.00 O ATOM 831 CB ALA A 52 -9.598 8.160 2.890 1.00 10.00 C ATOM 0 H ALA A 52 -6.700 7.660 2.287 1.00 10.00 H new ATOM 0 HA ALA A 52 -7.881 9.477 2.703 1.00 10.00 H new ATOM 0 HB1 ALA A 52 -10.324 8.962 3.025 1.00 10.00 H new ATOM 0 HB2 ALA A 52 -9.567 7.872 1.839 1.00 10.00 H new ATOM 0 HB3 ALA A 52 -9.890 7.300 3.493 1.00 10.00 H new ATOM 837 N GLY A 53 -7.082 9.209 5.467 1.00 10.00 N ATOM 838 CA GLY A 53 -6.902 9.743 6.830 1.00 10.00 C ATOM 839 C GLY A 53 -6.464 8.709 7.880 1.00 10.00 C ATOM 840 O GLY A 53 -6.205 9.083 9.027 1.00 10.00 O ATOM 0 H GLY A 53 -6.251 8.730 5.121 1.00 10.00 H new ATOM 0 HA2 GLY A 53 -6.160 10.541 6.796 1.00 10.00 H new ATOM 0 HA3 GLY A 53 -7.840 10.193 7.155 1.00 10.00 H new ATOM 844 N LYS A 54 -6.360 7.424 7.509 1.00 10.00 N ATOM 845 CA LYS A 54 -5.893 6.322 8.369 1.00 10.00 C ATOM 846 C LYS A 54 -4.434 6.020 8.040 1.00 10.00 C ATOM 847 O LYS A 54 -4.089 5.943 6.859 1.00 10.00 O ATOM 848 CB LYS A 54 -6.725 5.042 8.131 1.00 10.00 C ATOM 849 CG LYS A 54 -8.234 5.230 8.326 1.00 10.00 C ATOM 850 CD LYS A 54 -8.971 3.886 8.239 1.00 10.00 C ATOM 851 CE LYS A 54 -10.486 4.120 8.173 1.00 10.00 C ATOM 852 NZ LYS A 54 -11.241 2.842 8.150 1.00 10.00 N ATOM 0 H LYS A 54 -6.607 7.111 6.570 1.00 10.00 H new ATOM 0 HA LYS A 54 -6.003 6.626 9.410 1.00 10.00 H new ATOM 0 HB2 LYS A 54 -6.542 4.686 7.117 1.00 10.00 H new ATOM 0 HB3 LYS A 54 -6.376 4.264 8.810 1.00 10.00 H new ATOM 0 HG2 LYS A 54 -8.425 5.691 9.295 1.00 10.00 H new ATOM 0 HG3 LYS A 54 -8.620 5.911 7.567 1.00 10.00 H new ATOM 0 HD2 LYS A 54 -8.641 3.338 7.357 1.00 10.00 H new ATOM 0 HD3 LYS A 54 -8.727 3.272 9.106 1.00 10.00 H new ATOM 0 HE2 LYS A 54 -10.800 4.712 9.033 1.00 10.00 H new ATOM 0 HE3 LYS A 54 -10.726 4.700 7.282 1.00 10.00 H new ATOM 0 HZ1 LYS A 54 -12.221 3.023 7.853 1.00 10.00 H new ATOM 0 HZ2 LYS A 54 -10.792 2.185 7.480 1.00 10.00 H new ATOM 0 HZ3 LYS A 54 -11.240 2.421 9.101 1.00 10.00 H new ATOM 866 N ILE A 55 -3.606 5.789 9.057 1.00 10.00 N ATOM 867 CA ILE A 55 -2.174 5.498 8.905 1.00 10.00 C ATOM 868 C ILE A 55 -2.037 3.977 9.008 1.00 10.00 C ATOM 869 O ILE A 55 -2.289 3.388 10.065 1.00 10.00 O ATOM 870 CB ILE A 55 -1.324 6.216 9.987 1.00 10.00 C ATOM 871 CG1 ILE A 55 -1.251 7.758 9.863 1.00 10.00 C ATOM 872 CG2 ILE A 55 0.136 5.720 9.942 1.00 10.00 C ATOM 873 CD1 ILE A 55 -2.574 8.528 9.960 1.00 10.00 C ATOM 0 H ILE A 55 -3.913 5.798 10.030 1.00 10.00 H new ATOM 0 HA ILE A 55 -1.802 5.865 7.948 1.00 10.00 H new ATOM 0 HB ILE A 55 -1.838 5.972 10.917 1.00 10.00 H new ATOM 0 HG12 ILE A 55 -0.585 8.129 10.642 1.00 10.00 H new ATOM 0 HG13 ILE A 55 -0.788 7.999 8.906 1.00 10.00 H new ATOM 0 HG21 ILE A 55 0.718 6.233 10.707 1.00 10.00 H new ATOM 0 HG22 ILE A 55 0.161 4.646 10.127 1.00 10.00 H new ATOM 0 HG23 ILE A 55 0.561 5.930 8.961 1.00 10.00 H new ATOM 0 HD11 ILE A 55 -2.382 9.596 9.858 1.00 10.00 H new ATOM 0 HD12 ILE A 55 -3.244 8.202 9.164 1.00 10.00 H new ATOM 0 HD13 ILE A 55 -3.038 8.334 10.927 1.00 10.00 H new ATOM 885 N LEU A 56 -1.711 3.330 7.889 1.00 10.00 N ATOM 886 CA LEU A 56 -1.675 1.868 7.794 1.00 10.00 C ATOM 887 C LEU A 56 -0.420 1.306 8.500 1.00 10.00 C ATOM 888 O LEU A 56 0.625 1.962 8.560 1.00 10.00 O ATOM 889 CB LEU A 56 -1.791 1.435 6.320 1.00 10.00 C ATOM 890 CG LEU A 56 -2.930 2.092 5.508 1.00 10.00 C ATOM 891 CD1 LEU A 56 -3.081 1.378 4.162 1.00 10.00 C ATOM 892 CD2 LEU A 56 -4.287 2.033 6.212 1.00 10.00 C ATOM 0 H LEU A 56 -1.464 3.804 7.021 1.00 10.00 H new ATOM 0 HA LEU A 56 -2.532 1.443 8.318 1.00 10.00 H new ATOM 0 HB2 LEU A 56 -0.846 1.652 5.823 1.00 10.00 H new ATOM 0 HB3 LEU A 56 -1.927 0.354 6.289 1.00 10.00 H new ATOM 0 HG LEU A 56 -2.650 3.139 5.388 1.00 10.00 H new ATOM 0 HD11 LEU A 56 -3.885 1.843 3.591 1.00 10.00 H new ATOM 0 HD12 LEU A 56 -2.148 1.454 3.603 1.00 10.00 H new ATOM 0 HD13 LEU A 56 -3.318 0.328 4.332 1.00 10.00 H new ATOM 0 HD21 LEU A 56 -5.042 2.512 5.588 1.00 10.00 H new ATOM 0 HD22 LEU A 56 -4.564 0.993 6.382 1.00 10.00 H new ATOM 0 HD23 LEU A 56 -4.224 2.553 7.168 1.00 10.00 H new ATOM 904 N ASN A 57 -0.525 0.093 9.047 1.00 10.00 N ATOM 905 CA ASN A 57 0.394 -0.464 10.043 1.00 10.00 C ATOM 906 C ASN A 57 0.890 -1.877 9.673 1.00 10.00 C ATOM 907 O ASN A 57 0.109 -2.782 9.376 1.00 10.00 O ATOM 908 CB ASN A 57 -0.352 -0.454 11.393 1.00 10.00 C ATOM 909 CG ASN A 57 0.476 -1.043 12.523 1.00 10.00 C ATOM 910 OD1 ASN A 57 1.652 -0.755 12.677 1.00 10.00 O ATOM 911 ND2 ASN A 57 -0.084 -1.915 13.331 1.00 10.00 N ATOM 0 H ASN A 57 -1.277 -0.550 8.801 1.00 10.00 H new ATOM 0 HA ASN A 57 1.298 0.142 10.094 1.00 10.00 H new ATOM 0 HB2 ASN A 57 -0.626 0.570 11.645 1.00 10.00 H new ATOM 0 HB3 ASN A 57 -1.280 -1.018 11.295 1.00 10.00 H new ATOM 0 HD21 ASN A 57 0.463 -2.343 14.077 1.00 10.00 H new ATOM 0 HD22 ASN A 57 -1.066 -2.163 13.212 1.00 10.00 H new ATOM 918 N ASP A 58 2.204 -2.099 9.755 1.00 10.00 N ATOM 919 CA ASP A 58 2.871 -3.374 9.431 1.00 10.00 C ATOM 920 C ASP A 58 2.483 -4.562 10.339 1.00 10.00 C ATOM 921 O ASP A 58 2.869 -5.696 10.062 1.00 10.00 O ATOM 922 CB ASP A 58 4.391 -3.164 9.452 1.00 10.00 C ATOM 923 CG ASP A 58 4.853 -2.227 8.332 1.00 10.00 C ATOM 924 OD1 ASP A 58 4.841 -2.641 7.151 1.00 10.00 O ATOM 925 OD2 ASP A 58 5.260 -1.077 8.620 1.00 10.00 O ATOM 0 H ASP A 58 2.858 -1.377 10.058 1.00 10.00 H new ATOM 0 HA ASP A 58 2.523 -3.655 8.437 1.00 10.00 H new ATOM 0 HB2 ASP A 58 4.687 -2.751 10.416 1.00 10.00 H new ATOM 0 HB3 ASP A 58 4.892 -4.127 9.350 1.00 10.00 H new ATOM 930 N ASP A 59 1.713 -4.336 11.406 1.00 10.00 N ATOM 931 CA ASP A 59 1.286 -5.354 12.378 1.00 10.00 C ATOM 932 C ASP A 59 -0.253 -5.499 12.458 1.00 10.00 C ATOM 933 O ASP A 59 -0.771 -6.171 13.353 1.00 10.00 O ATOM 934 CB ASP A 59 1.939 -5.027 13.733 1.00 10.00 C ATOM 935 CG ASP A 59 1.856 -6.183 14.748 1.00 10.00 C ATOM 936 OD1 ASP A 59 2.295 -7.313 14.421 1.00 10.00 O ATOM 937 OD2 ASP A 59 1.413 -5.952 15.901 1.00 10.00 O ATOM 0 H ASP A 59 1.355 -3.407 11.628 1.00 10.00 H new ATOM 0 HA ASP A 59 1.625 -6.336 12.049 1.00 10.00 H new ATOM 0 HB2 ASP A 59 2.986 -4.771 13.571 1.00 10.00 H new ATOM 0 HB3 ASP A 59 1.457 -4.146 14.157 1.00 10.00 H new ATOM 942 N THR A 60 -0.996 -4.908 11.510 1.00 10.00 N ATOM 943 CA THR A 60 -2.466 -4.943 11.452 1.00 10.00 C ATOM 944 C THR A 60 -2.927 -5.309 10.033 1.00 10.00 C ATOM 945 O THR A 60 -2.396 -4.817 9.034 1.00 10.00 O ATOM 946 CB THR A 60 -3.038 -3.599 11.935 1.00 10.00 C ATOM 947 OG1 THR A 60 -2.661 -3.333 13.273 1.00 10.00 O ATOM 948 CG2 THR A 60 -4.559 -3.517 11.862 1.00 10.00 C ATOM 0 H THR A 60 -0.581 -4.379 10.743 1.00 10.00 H new ATOM 0 HA THR A 60 -2.849 -5.715 12.120 1.00 10.00 H new ATOM 0 HB THR A 60 -2.618 -2.860 11.253 1.00 10.00 H new ATOM 0 HG1 THR A 60 -3.036 -2.472 13.554 1.00 10.00 H new ATOM 0 HG21 THR A 60 -4.888 -2.541 12.219 1.00 10.00 H new ATOM 0 HG22 THR A 60 -4.882 -3.654 10.830 1.00 10.00 H new ATOM 0 HG23 THR A 60 -4.996 -4.297 12.485 1.00 10.00 H new ATOM 956 N ALA A 61 -3.875 -6.247 9.944 1.00 10.00 N ATOM 957 CA ALA A 61 -4.343 -6.842 8.691 1.00 10.00 C ATOM 958 C ALA A 61 -5.147 -5.868 7.809 1.00 10.00 C ATOM 959 O ALA A 61 -5.924 -5.055 8.308 1.00 10.00 O ATOM 960 CB ALA A 61 -5.149 -8.101 9.019 1.00 10.00 C ATOM 0 H ALA A 61 -4.350 -6.623 10.765 1.00 10.00 H new ATOM 0 HA ALA A 61 -3.469 -7.101 8.094 1.00 10.00 H new ATOM 0 HB1 ALA A 61 -5.505 -8.556 8.095 1.00 10.00 H new ATOM 0 HB2 ALA A 61 -4.516 -8.810 9.552 1.00 10.00 H new ATOM 0 HB3 ALA A 61 -6.001 -7.835 9.644 1.00 10.00 H new ATOM 966 N LEU A 62 -5.006 -6.001 6.484 1.00 10.00 N ATOM 967 CA LEU A 62 -5.634 -5.157 5.462 1.00 10.00 C ATOM 968 C LEU A 62 -7.146 -4.938 5.656 1.00 10.00 C ATOM 969 O LEU A 62 -7.631 -3.810 5.533 1.00 10.00 O ATOM 970 CB LEU A 62 -5.328 -5.784 4.086 1.00 10.00 C ATOM 971 CG LEU A 62 -4.182 -5.158 3.281 1.00 10.00 C ATOM 972 CD1 LEU A 62 -4.578 -3.790 2.728 1.00 10.00 C ATOM 973 CD2 LEU A 62 -2.873 -5.026 4.055 1.00 10.00 C ATOM 0 H LEU A 62 -4.424 -6.734 6.078 1.00 10.00 H new ATOM 0 HA LEU A 62 -5.210 -4.156 5.544 1.00 10.00 H new ATOM 0 HB2 LEU A 62 -5.101 -6.839 4.236 1.00 10.00 H new ATOM 0 HB3 LEU A 62 -6.234 -5.736 3.482 1.00 10.00 H new ATOM 0 HG LEU A 62 -4.001 -5.857 2.465 1.00 10.00 H new ATOM 0 HD11 LEU A 62 -3.746 -3.371 2.162 1.00 10.00 H new ATOM 0 HD12 LEU A 62 -5.443 -3.899 2.074 1.00 10.00 H new ATOM 0 HD13 LEU A 62 -4.828 -3.123 3.553 1.00 10.00 H new ATOM 0 HD21 LEU A 62 -2.115 -4.575 3.414 1.00 10.00 H new ATOM 0 HD22 LEU A 62 -3.030 -4.396 4.930 1.00 10.00 H new ATOM 0 HD23 LEU A 62 -2.538 -6.013 4.374 1.00 10.00 H new ATOM 985 N LYS A 63 -7.903 -5.991 5.993 1.00 10.00 N ATOM 986 CA LYS A 63 -9.361 -5.890 6.199 1.00 10.00 C ATOM 987 C LYS A 63 -9.799 -5.091 7.440 1.00 10.00 C ATOM 988 O LYS A 63 -10.934 -4.625 7.477 1.00 10.00 O ATOM 989 CB LYS A 63 -10.023 -7.278 6.101 1.00 10.00 C ATOM 990 CG LYS A 63 -10.064 -8.154 7.367 1.00 10.00 C ATOM 991 CD LYS A 63 -8.704 -8.371 8.050 1.00 10.00 C ATOM 992 CE LYS A 63 -8.722 -9.538 9.051 1.00 10.00 C ATOM 993 NZ LYS A 63 -9.778 -9.396 10.090 1.00 10.00 N ATOM 0 H LYS A 63 -7.530 -6.930 6.130 1.00 10.00 H new ATOM 0 HA LYS A 63 -9.734 -5.277 5.378 1.00 10.00 H new ATOM 0 HB2 LYS A 63 -11.049 -7.135 5.762 1.00 10.00 H new ATOM 0 HB3 LYS A 63 -9.505 -7.840 5.324 1.00 10.00 H new ATOM 0 HG2 LYS A 63 -10.746 -7.698 8.085 1.00 10.00 H new ATOM 0 HG3 LYS A 63 -10.481 -9.126 7.105 1.00 10.00 H new ATOM 0 HD2 LYS A 63 -7.947 -8.562 7.290 1.00 10.00 H new ATOM 0 HD3 LYS A 63 -8.413 -7.458 8.568 1.00 10.00 H new ATOM 0 HE2 LYS A 63 -8.876 -10.472 8.510 1.00 10.00 H new ATOM 0 HE3 LYS A 63 -7.749 -9.608 9.537 1.00 10.00 H new ATOM 0 HZ1 LYS A 63 -9.543 -9.994 10.908 1.00 10.00 H new ATOM 0 HZ2 LYS A 63 -9.836 -8.403 10.393 1.00 10.00 H new ATOM 0 HZ3 LYS A 63 -10.694 -9.692 9.696 1.00 10.00 H new ATOM 1007 N GLU A 64 -8.916 -4.859 8.418 1.00 10.00 N ATOM 1008 CA GLU A 64 -9.217 -4.034 9.605 1.00 10.00 C ATOM 1009 C GLU A 64 -9.386 -2.548 9.251 1.00 10.00 C ATOM 1010 O GLU A 64 -10.137 -1.826 9.909 1.00 10.00 O ATOM 1011 CB GLU A 64 -8.100 -4.146 10.659 1.00 10.00 C ATOM 1012 CG GLU A 64 -7.874 -5.557 11.217 1.00 10.00 C ATOM 1013 CD GLU A 64 -9.113 -6.090 11.957 1.00 10.00 C ATOM 1014 OE1 GLU A 64 -9.392 -5.645 13.096 1.00 10.00 O ATOM 1015 OE2 GLU A 64 -9.809 -6.972 11.398 1.00 10.00 O ATOM 0 H GLU A 64 -7.969 -5.237 8.413 1.00 10.00 H new ATOM 0 HA GLU A 64 -10.155 -4.418 10.006 1.00 10.00 H new ATOM 0 HB2 GLU A 64 -7.168 -3.793 10.218 1.00 10.00 H new ATOM 0 HB3 GLU A 64 -8.334 -3.477 11.487 1.00 10.00 H new ATOM 0 HG2 GLU A 64 -7.621 -6.233 10.401 1.00 10.00 H new ATOM 0 HG3 GLU A 64 -7.022 -5.546 11.897 1.00 10.00 H new ATOM 1022 N TYR A 65 -8.718 -2.096 8.184 1.00 10.00 N ATOM 1023 CA TYR A 65 -8.811 -0.718 7.675 1.00 10.00 C ATOM 1024 C TYR A 65 -10.066 -0.484 6.814 1.00 10.00 C ATOM 1025 O TYR A 65 -10.384 0.665 6.490 1.00 10.00 O ATOM 1026 CB TYR A 65 -7.571 -0.385 6.838 1.00 10.00 C ATOM 1027 CG TYR A 65 -6.253 -0.759 7.481 1.00 10.00 C ATOM 1028 CD1 TYR A 65 -5.829 -0.145 8.678 1.00 10.00 C ATOM 1029 CD2 TYR A 65 -5.451 -1.742 6.873 1.00 10.00 C ATOM 1030 CE1 TYR A 65 -4.605 -0.518 9.258 1.00 10.00 C ATOM 1031 CE2 TYR A 65 -4.248 -2.150 7.472 1.00 10.00 C ATOM 1032 CZ TYR A 65 -3.823 -1.519 8.654 1.00 10.00 C ATOM 1033 OH TYR A 65 -2.642 -1.865 9.206 1.00 10.00 O ATOM 0 H TYR A 65 -8.087 -2.684 7.640 1.00 10.00 H new ATOM 0 HA TYR A 65 -8.877 -0.067 8.547 1.00 10.00 H new ATOM 0 HB2 TYR A 65 -7.649 -0.896 5.879 1.00 10.00 H new ATOM 0 HB3 TYR A 65 -7.567 0.685 6.630 1.00 10.00 H new ATOM 0 HD1 TYR A 65 -6.443 0.609 9.147 1.00 10.00 H new ATOM 0 HD2 TYR A 65 -5.763 -2.186 5.939 1.00 10.00 H new ATOM 0 HE1 TYR A 65 -4.266 -0.038 10.164 1.00 10.00 H new ATOM 0 HE2 TYR A 65 -3.657 -2.939 7.030 1.00 10.00 H new ATOM 0 HH TYR A 65 -2.527 -2.837 9.150 1.00 10.00 H new ATOM 1043 N LYS A 66 -10.772 -1.565 6.448 1.00 10.00 N ATOM 1044 CA LYS A 66 -11.891 -1.609 5.491 1.00 10.00 C ATOM 1045 C LYS A 66 -11.557 -0.944 4.144 1.00 10.00 C ATOM 1046 O LYS A 66 -12.320 -0.121 3.631 1.00 10.00 O ATOM 1047 CB LYS A 66 -13.190 -1.107 6.156 1.00 10.00 C ATOM 1048 CG LYS A 66 -13.559 -1.938 7.399 1.00 10.00 C ATOM 1049 CD LYS A 66 -14.900 -1.490 7.992 1.00 10.00 C ATOM 1050 CE LYS A 66 -15.237 -2.342 9.223 1.00 10.00 C ATOM 1051 NZ LYS A 66 -16.537 -1.946 9.823 1.00 10.00 N ATOM 0 H LYS A 66 -10.566 -2.486 6.834 1.00 10.00 H new ATOM 0 HA LYS A 66 -12.069 -2.650 5.220 1.00 10.00 H new ATOM 0 HB2 LYS A 66 -13.071 -0.062 6.441 1.00 10.00 H new ATOM 0 HB3 LYS A 66 -14.007 -1.150 5.435 1.00 10.00 H new ATOM 0 HG2 LYS A 66 -13.612 -2.993 7.131 1.00 10.00 H new ATOM 0 HG3 LYS A 66 -12.776 -1.839 8.151 1.00 10.00 H new ATOM 0 HD2 LYS A 66 -14.851 -0.437 8.270 1.00 10.00 H new ATOM 0 HD3 LYS A 66 -15.688 -1.586 7.245 1.00 10.00 H new ATOM 0 HE2 LYS A 66 -15.272 -3.394 8.940 1.00 10.00 H new ATOM 0 HE3 LYS A 66 -14.446 -2.238 9.966 1.00 10.00 H new ATOM 0 HZ1 LYS A 66 -16.733 -2.542 10.652 1.00 10.00 H new ATOM 0 HZ2 LYS A 66 -16.495 -0.949 10.116 1.00 10.00 H new ATOM 0 HZ3 LYS A 66 -17.295 -2.069 9.122 1.00 10.00 H new ATOM 1065 N ILE A 67 -10.394 -1.300 3.581 1.00 10.00 N ATOM 1066 CA ILE A 67 -9.998 -0.933 2.211 1.00 10.00 C ATOM 1067 C ILE A 67 -11.040 -1.463 1.205 1.00 10.00 C ATOM 1068 O ILE A 67 -11.629 -2.528 1.416 1.00 10.00 O ATOM 1069 CB ILE A 67 -8.583 -1.461 1.879 1.00 10.00 C ATOM 1070 CG1 ILE A 67 -7.507 -1.166 2.945 1.00 10.00 C ATOM 1071 CG2 ILE A 67 -8.100 -0.926 0.518 1.00 10.00 C ATOM 1072 CD1 ILE A 67 -7.301 0.306 3.307 1.00 10.00 C ATOM 0 H ILE A 67 -9.692 -1.857 4.068 1.00 10.00 H new ATOM 0 HA ILE A 67 -9.964 0.154 2.137 1.00 10.00 H new ATOM 0 HB ILE A 67 -8.701 -2.544 1.852 1.00 10.00 H new ATOM 0 HG12 ILE A 67 -7.767 -1.709 3.854 1.00 10.00 H new ATOM 0 HG13 ILE A 67 -6.557 -1.569 2.594 1.00 10.00 H new ATOM 0 HG21 ILE A 67 -7.102 -1.312 0.308 1.00 10.00 H new ATOM 0 HG22 ILE A 67 -8.786 -1.250 -0.265 1.00 10.00 H new ATOM 0 HG23 ILE A 67 -8.069 0.163 0.545 1.00 10.00 H new ATOM 0 HD11 ILE A 67 -6.522 0.389 4.065 1.00 10.00 H new ATOM 0 HD12 ILE A 67 -7.003 0.861 2.418 1.00 10.00 H new ATOM 0 HD13 ILE A 67 -8.231 0.718 3.697 1.00 10.00 H new ATOM 1084 N ASP A 68 -11.250 -0.748 0.101 1.00 10.00 N ATOM 1085 CA ASP A 68 -12.259 -1.058 -0.919 1.00 10.00 C ATOM 1086 C ASP A 68 -11.653 -1.042 -2.338 1.00 10.00 C ATOM 1087 O ASP A 68 -10.830 -0.188 -2.670 1.00 10.00 O ATOM 1088 CB ASP A 68 -13.407 -0.052 -0.774 1.00 10.00 C ATOM 1089 CG ASP A 68 -14.459 -0.241 -1.868 1.00 10.00 C ATOM 1090 OD1 ASP A 68 -14.293 0.341 -2.961 1.00 10.00 O ATOM 1091 OD2 ASP A 68 -15.445 -0.984 -1.663 1.00 10.00 O ATOM 0 H ASP A 68 -10.709 0.088 -0.118 1.00 10.00 H new ATOM 0 HA ASP A 68 -12.640 -2.068 -0.769 1.00 10.00 H new ATOM 0 HB2 ASP A 68 -13.873 -0.169 0.204 1.00 10.00 H new ATOM 0 HB3 ASP A 68 -13.011 0.963 -0.820 1.00 10.00 H new ATOM 1096 N GLU A 69 -12.073 -1.991 -3.181 1.00 10.00 N ATOM 1097 CA GLU A 69 -11.481 -2.254 -4.505 1.00 10.00 C ATOM 1098 C GLU A 69 -11.734 -1.171 -5.576 1.00 10.00 C ATOM 1099 O GLU A 69 -11.144 -1.229 -6.660 1.00 10.00 O ATOM 1100 CB GLU A 69 -11.910 -3.647 -5.003 1.00 10.00 C ATOM 1101 CG GLU A 69 -13.407 -3.765 -5.330 1.00 10.00 C ATOM 1102 CD GLU A 69 -13.753 -5.194 -5.785 1.00 10.00 C ATOM 1103 OE1 GLU A 69 -13.585 -5.513 -6.987 1.00 10.00 O ATOM 1104 OE2 GLU A 69 -14.209 -6.010 -4.945 1.00 10.00 O ATOM 0 H GLU A 69 -12.851 -2.613 -2.961 1.00 10.00 H new ATOM 0 HA GLU A 69 -10.402 -2.223 -4.353 1.00 10.00 H new ATOM 0 HB2 GLU A 69 -11.334 -3.895 -5.895 1.00 10.00 H new ATOM 0 HB3 GLU A 69 -11.656 -4.386 -4.243 1.00 10.00 H new ATOM 0 HG2 GLU A 69 -13.998 -3.504 -4.452 1.00 10.00 H new ATOM 0 HG3 GLU A 69 -13.670 -3.055 -6.114 1.00 10.00 H new ATOM 1111 N LYS A 70 -12.574 -0.171 -5.275 1.00 10.00 N ATOM 1112 CA LYS A 70 -12.835 1.016 -6.112 1.00 10.00 C ATOM 1113 C LYS A 70 -12.694 2.342 -5.339 1.00 10.00 C ATOM 1114 O LYS A 70 -13.065 3.403 -5.850 1.00 10.00 O ATOM 1115 CB LYS A 70 -14.151 0.868 -6.906 1.00 10.00 C ATOM 1116 CG LYS A 70 -15.445 0.730 -6.084 1.00 10.00 C ATOM 1117 CD LYS A 70 -15.781 -0.726 -5.710 1.00 10.00 C ATOM 1118 CE LYS A 70 -17.154 -0.855 -5.035 1.00 10.00 C ATOM 1119 NZ LYS A 70 -17.195 -0.186 -3.709 1.00 10.00 N ATOM 0 H LYS A 70 -13.113 -0.163 -4.409 1.00 10.00 H new ATOM 0 HA LYS A 70 -12.046 1.070 -6.862 1.00 10.00 H new ATOM 0 HB2 LYS A 70 -14.254 1.735 -7.558 1.00 10.00 H new ATOM 0 HB3 LYS A 70 -14.063 -0.007 -7.550 1.00 10.00 H new ATOM 0 HG2 LYS A 70 -15.351 1.319 -5.172 1.00 10.00 H new ATOM 0 HG3 LYS A 70 -16.274 1.152 -6.652 1.00 10.00 H new ATOM 0 HD2 LYS A 70 -15.762 -1.343 -6.608 1.00 10.00 H new ATOM 0 HD3 LYS A 70 -15.012 -1.113 -5.041 1.00 10.00 H new ATOM 0 HE2 LYS A 70 -17.917 -0.422 -5.682 1.00 10.00 H new ATOM 0 HE3 LYS A 70 -17.400 -1.910 -4.915 1.00 10.00 H new ATOM 0 HZ1 LYS A 70 -18.177 -0.151 -3.368 1.00 10.00 H new ATOM 0 HZ2 LYS A 70 -16.613 -0.720 -3.033 1.00 10.00 H new ATOM 0 HZ3 LYS A 70 -16.824 0.782 -3.797 1.00 10.00 H new ATOM 1133 N ASN A 71 -12.085 2.294 -4.151 1.00 10.00 N ATOM 1134 CA ASN A 71 -11.433 3.432 -3.495 1.00 10.00 C ATOM 1135 C ASN A 71 -9.904 3.347 -3.722 1.00 10.00 C ATOM 1136 O ASN A 71 -9.417 2.400 -4.348 1.00 10.00 O ATOM 1137 CB ASN A 71 -11.831 3.440 -2.004 1.00 10.00 C ATOM 1138 CG ASN A 71 -11.653 4.789 -1.322 1.00 10.00 C ATOM 1139 OD1 ASN A 71 -11.302 5.795 -1.924 1.00 10.00 O ATOM 1140 ND2 ASN A 71 -11.892 4.859 -0.035 1.00 10.00 N ATOM 0 H ASN A 71 -12.030 1.436 -3.602 1.00 10.00 H new ATOM 0 HA ASN A 71 -11.760 4.380 -3.922 1.00 10.00 H new ATOM 0 HB2 ASN A 71 -12.874 3.135 -1.915 1.00 10.00 H new ATOM 0 HB3 ASN A 71 -11.235 2.696 -1.476 1.00 10.00 H new ATOM 0 HD21 ASN A 71 -11.785 5.747 0.456 1.00 10.00 H new ATOM 0 HD22 ASN A 71 -12.185 4.026 0.475 1.00 10.00 H new ATOM 1147 N PHE A 72 -9.133 4.317 -3.220 1.00 10.00 N ATOM 1148 CA PHE A 72 -7.674 4.337 -3.352 1.00 10.00 C ATOM 1149 C PHE A 72 -6.929 4.657 -2.047 1.00 10.00 C ATOM 1150 O PHE A 72 -7.474 5.215 -1.093 1.00 10.00 O ATOM 1151 CB PHE A 72 -7.237 5.236 -4.525 1.00 10.00 C ATOM 1152 CG PHE A 72 -7.641 6.698 -4.456 1.00 10.00 C ATOM 1153 CD1 PHE A 72 -7.039 7.570 -3.528 1.00 10.00 C ATOM 1154 CD2 PHE A 72 -8.589 7.202 -5.368 1.00 10.00 C ATOM 1155 CE1 PHE A 72 -7.410 8.925 -3.489 1.00 10.00 C ATOM 1156 CE2 PHE A 72 -8.937 8.563 -5.350 1.00 10.00 C ATOM 1157 CZ PHE A 72 -8.356 9.426 -4.403 1.00 10.00 C ATOM 0 H PHE A 72 -9.507 5.115 -2.707 1.00 10.00 H new ATOM 0 HA PHE A 72 -7.375 3.315 -3.586 1.00 10.00 H new ATOM 0 HB2 PHE A 72 -6.151 5.187 -4.604 1.00 10.00 H new ATOM 0 HB3 PHE A 72 -7.642 4.815 -5.445 1.00 10.00 H new ATOM 0 HD1 PHE A 72 -6.291 7.196 -2.845 1.00 10.00 H new ATOM 0 HD2 PHE A 72 -9.051 6.539 -6.085 1.00 10.00 H new ATOM 0 HE1 PHE A 72 -6.968 9.584 -2.756 1.00 10.00 H new ATOM 0 HE2 PHE A 72 -9.651 8.947 -6.064 1.00 10.00 H new ATOM 0 HZ PHE A 72 -8.635 10.469 -4.377 1.00 10.00 H new ATOM 1167 N VAL A 73 -5.653 4.281 -2.046 1.00 10.00 N ATOM 1168 CA VAL A 73 -4.662 4.330 -0.961 1.00 10.00 C ATOM 1169 C VAL A 73 -3.486 5.176 -1.464 1.00 10.00 C ATOM 1170 O VAL A 73 -3.219 5.210 -2.665 1.00 10.00 O ATOM 1171 CB VAL A 73 -4.230 2.881 -0.626 1.00 10.00 C ATOM 1172 CG1 VAL A 73 -2.933 2.729 0.181 1.00 10.00 C ATOM 1173 CG2 VAL A 73 -5.328 2.139 0.141 1.00 10.00 C ATOM 0 H VAL A 73 -5.238 3.892 -2.893 1.00 10.00 H new ATOM 0 HA VAL A 73 -5.060 4.777 -0.050 1.00 10.00 H new ATOM 0 HB VAL A 73 -4.046 2.453 -1.611 1.00 10.00 H new ATOM 0 HG11 VAL A 73 -2.734 1.671 0.354 1.00 10.00 H new ATOM 0 HG12 VAL A 73 -2.105 3.168 -0.375 1.00 10.00 H new ATOM 0 HG13 VAL A 73 -3.038 3.240 1.138 1.00 10.00 H new ATOM 0 HG21 VAL A 73 -4.996 1.125 0.362 1.00 10.00 H new ATOM 0 HG22 VAL A 73 -5.538 2.663 1.073 1.00 10.00 H new ATOM 0 HG23 VAL A 73 -6.233 2.100 -0.465 1.00 10.00 H new ATOM 1183 N VAL A 74 -2.773 5.866 -0.577 1.00 10.00 N ATOM 1184 CA VAL A 74 -1.621 6.712 -0.940 1.00 10.00 C ATOM 1185 C VAL A 74 -0.337 6.090 -0.398 1.00 10.00 C ATOM 1186 O VAL A 74 -0.264 5.768 0.788 1.00 10.00 O ATOM 1187 CB VAL A 74 -1.784 8.163 -0.447 1.00 10.00 C ATOM 1188 CG1 VAL A 74 -0.721 9.069 -1.085 1.00 10.00 C ATOM 1189 CG2 VAL A 74 -3.162 8.742 -0.801 1.00 10.00 C ATOM 0 H VAL A 74 -2.974 5.859 0.423 1.00 10.00 H new ATOM 0 HA VAL A 74 -1.567 6.759 -2.028 1.00 10.00 H new ATOM 0 HB VAL A 74 -1.673 8.134 0.637 1.00 10.00 H new ATOM 0 HG11 VAL A 74 -0.850 10.090 -0.726 1.00 10.00 H new ATOM 0 HG12 VAL A 74 0.272 8.712 -0.813 1.00 10.00 H new ATOM 0 HG13 VAL A 74 -0.829 9.049 -2.169 1.00 10.00 H new ATOM 0 HG21 VAL A 74 -3.232 9.766 -0.434 1.00 10.00 H new ATOM 0 HG22 VAL A 74 -3.293 8.735 -1.883 1.00 10.00 H new ATOM 0 HG23 VAL A 74 -3.941 8.137 -0.337 1.00 10.00 H new ATOM 1199 N VAL A 75 0.675 5.941 -1.254 1.00 10.00 N ATOM 1200 CA VAL A 75 2.029 5.491 -0.890 1.00 10.00 C ATOM 1201 C VAL A 75 2.970 6.698 -0.776 1.00 10.00 C ATOM 1202 O VAL A 75 2.902 7.636 -1.574 1.00 10.00 O ATOM 1203 CB VAL A 75 2.594 4.439 -1.874 1.00 10.00 C ATOM 1204 CG1 VAL A 75 1.728 3.172 -1.890 1.00 10.00 C ATOM 1205 CG2 VAL A 75 2.749 4.908 -3.326 1.00 10.00 C ATOM 0 H VAL A 75 0.577 6.135 -2.251 1.00 10.00 H new ATOM 0 HA VAL A 75 1.959 4.997 0.079 1.00 10.00 H new ATOM 0 HB VAL A 75 3.594 4.246 -1.486 1.00 10.00 H new ATOM 0 HG11 VAL A 75 2.150 2.452 -2.591 1.00 10.00 H new ATOM 0 HG12 VAL A 75 1.703 2.736 -0.891 1.00 10.00 H new ATOM 0 HG13 VAL A 75 0.715 3.428 -2.199 1.00 10.00 H new ATOM 0 HG21 VAL A 75 3.152 4.095 -3.930 1.00 10.00 H new ATOM 0 HG22 VAL A 75 1.776 5.204 -3.719 1.00 10.00 H new ATOM 0 HG23 VAL A 75 3.429 5.759 -3.363 1.00 10.00 H new ATOM 1215 N MET A 76 3.845 6.682 0.229 1.00 10.00 N ATOM 1216 CA MET A 76 4.751 7.779 0.589 1.00 10.00 C ATOM 1217 C MET A 76 6.132 7.214 0.942 1.00 10.00 C ATOM 1218 O MET A 76 6.251 6.022 1.231 1.00 10.00 O ATOM 1219 CB MET A 76 4.161 8.564 1.777 1.00 10.00 C ATOM 1220 CG MET A 76 2.752 9.106 1.507 1.00 10.00 C ATOM 1221 SD MET A 76 2.106 10.177 2.817 1.00 10.00 S ATOM 1222 CE MET A 76 0.489 10.577 2.098 1.00 10.00 C ATOM 0 H MET A 76 3.948 5.873 0.841 1.00 10.00 H new ATOM 0 HA MET A 76 4.862 8.458 -0.257 1.00 10.00 H new ATOM 0 HB2 MET A 76 4.132 7.916 2.653 1.00 10.00 H new ATOM 0 HB3 MET A 76 4.823 9.396 2.018 1.00 10.00 H new ATOM 0 HG2 MET A 76 2.762 9.663 0.570 1.00 10.00 H new ATOM 0 HG3 MET A 76 2.071 8.266 1.371 1.00 10.00 H new ATOM 0 HE1 MET A 76 -0.057 11.236 2.774 1.00 10.00 H new ATOM 0 HE2 MET A 76 0.630 11.077 1.140 1.00 10.00 H new ATOM 0 HE3 MET A 76 -0.080 9.659 1.948 1.00 10.00 H new ATOM 1232 N VAL A 77 7.187 8.029 0.909 1.00 10.00 N ATOM 1233 CA VAL A 77 8.546 7.588 1.280 1.00 10.00 C ATOM 1234 C VAL A 77 9.316 8.655 2.067 1.00 10.00 C ATOM 1235 O VAL A 77 9.205 9.851 1.786 1.00 10.00 O ATOM 1236 CB VAL A 77 9.294 7.085 0.028 1.00 10.00 C ATOM 1237 CG1 VAL A 77 9.709 8.199 -0.941 1.00 10.00 C ATOM 1238 CG2 VAL A 77 10.511 6.242 0.403 1.00 10.00 C ATOM 0 H VAL A 77 7.132 9.008 0.627 1.00 10.00 H new ATOM 0 HA VAL A 77 8.463 6.748 1.970 1.00 10.00 H new ATOM 0 HB VAL A 77 8.571 6.464 -0.500 1.00 10.00 H new ATOM 0 HG11 VAL A 77 10.229 7.764 -1.794 1.00 10.00 H new ATOM 0 HG12 VAL A 77 8.822 8.729 -1.288 1.00 10.00 H new ATOM 0 HG13 VAL A 77 10.372 8.897 -0.430 1.00 10.00 H new ATOM 0 HG21 VAL A 77 11.013 5.905 -0.504 1.00 10.00 H new ATOM 0 HG22 VAL A 77 11.200 6.842 0.998 1.00 10.00 H new ATOM 0 HG23 VAL A 77 10.190 5.377 0.983 1.00 10.00 H new ATOM 1248 N THR A 78 10.093 8.224 3.065 1.00 10.00 N ATOM 1249 CA THR A 78 10.985 9.071 3.876 1.00 10.00 C ATOM 1250 C THR A 78 12.316 8.373 4.191 1.00 10.00 C ATOM 1251 O THR A 78 12.381 7.142 4.267 1.00 10.00 O ATOM 1252 CB THR A 78 10.270 9.556 5.151 1.00 10.00 C ATOM 1253 OG1 THR A 78 11.071 10.513 5.811 1.00 10.00 O ATOM 1254 CG2 THR A 78 9.941 8.444 6.147 1.00 10.00 C ATOM 0 H THR A 78 10.122 7.243 3.343 1.00 10.00 H new ATOM 0 HA THR A 78 11.235 9.950 3.282 1.00 10.00 H new ATOM 0 HB THR A 78 9.324 9.978 4.813 1.00 10.00 H new ATOM 0 HG1 THR A 78 10.613 10.821 6.621 1.00 10.00 H new ATOM 0 HG21 THR A 78 9.439 8.870 7.016 1.00 10.00 H new ATOM 0 HG22 THR A 78 9.287 7.713 5.673 1.00 10.00 H new ATOM 0 HG23 THR A 78 10.862 7.955 6.464 1.00 10.00 H new ATOM 1262 N LYS A 79 13.389 9.155 4.363 1.00 10.00 N ATOM 1263 CA LYS A 79 14.744 8.700 4.713 1.00 10.00 C ATOM 1264 C LYS A 79 15.408 9.702 5.688 1.00 10.00 C ATOM 1265 O LYS A 79 15.291 10.908 5.455 1.00 10.00 O ATOM 1266 CB LYS A 79 15.555 8.587 3.409 1.00 10.00 C ATOM 1267 CG LYS A 79 16.981 8.070 3.634 1.00 10.00 C ATOM 1268 CD LYS A 79 17.851 8.275 2.388 1.00 10.00 C ATOM 1269 CE LYS A 79 19.334 8.046 2.708 1.00 10.00 C ATOM 1270 NZ LYS A 79 19.922 9.166 3.496 1.00 10.00 N ATOM 0 H LYS A 79 13.336 10.168 4.258 1.00 10.00 H new ATOM 0 HA LYS A 79 14.706 7.732 5.212 1.00 10.00 H new ATOM 0 HB2 LYS A 79 15.036 7.919 2.722 1.00 10.00 H new ATOM 0 HB3 LYS A 79 15.600 9.565 2.930 1.00 10.00 H new ATOM 0 HG2 LYS A 79 17.429 8.588 4.482 1.00 10.00 H new ATOM 0 HG3 LYS A 79 16.950 7.011 3.888 1.00 10.00 H new ATOM 0 HD2 LYS A 79 17.535 7.589 1.603 1.00 10.00 H new ATOM 0 HD3 LYS A 79 17.710 9.285 2.004 1.00 10.00 H new ATOM 0 HE2 LYS A 79 19.444 7.116 3.265 1.00 10.00 H new ATOM 0 HE3 LYS A 79 19.890 7.928 1.778 1.00 10.00 H new ATOM 0 HZ1 LYS A 79 20.854 8.882 3.861 1.00 10.00 H new ATOM 0 HZ2 LYS A 79 20.029 10.001 2.886 1.00 10.00 H new ATOM 0 HZ3 LYS A 79 19.294 9.397 4.292 1.00 10.00 H new ATOM 1284 N PRO A 80 16.132 9.247 6.734 1.00 10.00 N ATOM 1285 CA PRO A 80 16.990 10.100 7.563 1.00 10.00 C ATOM 1286 C PRO A 80 18.029 10.912 6.764 1.00 10.00 C ATOM 1287 O PRO A 80 18.625 10.409 5.803 1.00 10.00 O ATOM 1288 CB PRO A 80 17.690 9.152 8.546 1.00 10.00 C ATOM 1289 CG PRO A 80 16.744 7.958 8.634 1.00 10.00 C ATOM 1290 CD PRO A 80 16.167 7.875 7.223 1.00 10.00 C ATOM 0 HA PRO A 80 16.379 10.854 8.059 1.00 10.00 H new ATOM 0 HB2 PRO A 80 18.675 8.857 8.185 1.00 10.00 H new ATOM 0 HB3 PRO A 80 17.835 9.620 9.519 1.00 10.00 H new ATOM 0 HG2 PRO A 80 17.271 7.044 8.909 1.00 10.00 H new ATOM 0 HG3 PRO A 80 15.965 8.114 9.380 1.00 10.00 H new ATOM 0 HD2 PRO A 80 16.786 7.246 6.583 1.00 10.00 H new ATOM 0 HD3 PRO A 80 15.169 7.436 7.232 1.00 10.00 H new ATOM 1298 N LYS A 81 18.290 12.150 7.206 1.00 10.00 N ATOM 1299 CA LYS A 81 19.271 13.092 6.611 1.00 10.00 C ATOM 1300 C LYS A 81 20.145 13.817 7.655 1.00 10.00 C ATOM 1301 O LYS A 81 20.903 14.722 7.302 1.00 10.00 O ATOM 1302 CB LYS A 81 18.535 14.104 5.703 1.00 10.00 C ATOM 1303 CG LYS A 81 17.840 13.452 4.498 1.00 10.00 C ATOM 1304 CD LYS A 81 17.199 14.507 3.586 1.00 10.00 C ATOM 1305 CE LYS A 81 16.481 13.821 2.418 1.00 10.00 C ATOM 1306 NZ LYS A 81 15.840 14.813 1.514 1.00 10.00 N ATOM 0 H LYS A 81 17.811 12.545 8.016 1.00 10.00 H new ATOM 0 HA LYS A 81 19.963 12.497 6.016 1.00 10.00 H new ATOM 0 HB2 LYS A 81 17.792 14.639 6.295 1.00 10.00 H new ATOM 0 HB3 LYS A 81 19.250 14.845 5.344 1.00 10.00 H new ATOM 0 HG2 LYS A 81 18.564 12.869 3.930 1.00 10.00 H new ATOM 0 HG3 LYS A 81 17.076 12.758 4.848 1.00 10.00 H new ATOM 0 HD2 LYS A 81 16.492 15.111 4.155 1.00 10.00 H new ATOM 0 HD3 LYS A 81 17.963 15.185 3.206 1.00 10.00 H new ATOM 0 HE2 LYS A 81 17.194 13.220 1.853 1.00 10.00 H new ATOM 0 HE3 LYS A 81 15.725 13.138 2.805 1.00 10.00 H new ATOM 0 HZ1 LYS A 81 15.363 14.316 0.735 1.00 10.00 H new ATOM 0 HZ2 LYS A 81 15.142 15.369 2.048 1.00 10.00 H new ATOM 0 HZ3 LYS A 81 16.566 15.449 1.126 1.00 10.00 H new ATOM 1320 N ALA A 82 20.048 13.439 8.932 1.00 10.00 N ATOM 1321 CA ALA A 82 20.816 14.028 10.034 1.00 10.00 C ATOM 1322 C ALA A 82 22.337 13.828 9.853 1.00 10.00 C ATOM 1323 O ALA A 82 22.832 12.697 9.858 1.00 10.00 O ATOM 1324 CB ALA A 82 20.310 13.426 11.354 1.00 10.00 C ATOM 0 H ALA A 82 19.418 12.697 9.237 1.00 10.00 H new ATOM 0 HA ALA A 82 20.662 15.107 10.045 1.00 10.00 H new ATOM 0 HB1 ALA A 82 20.870 13.852 12.186 1.00 10.00 H new ATOM 0 HB2 ALA A 82 19.251 13.653 11.475 1.00 10.00 H new ATOM 0 HB3 ALA A 82 20.450 12.345 11.338 1.00 10.00 H new ATOM 1330 N VAL A 83 23.075 14.934 9.693 1.00 10.00 N ATOM 1331 CA VAL A 83 24.536 14.951 9.447 1.00 10.00 C ATOM 1332 C VAL A 83 25.283 16.071 10.204 1.00 10.00 C ATOM 1333 O VAL A 83 26.513 16.058 10.281 1.00 10.00 O ATOM 1334 CB VAL A 83 24.789 14.991 7.920 1.00 10.00 C ATOM 1335 CG1 VAL A 83 24.436 16.344 7.286 1.00 10.00 C ATOM 1336 CG2 VAL A 83 26.221 14.609 7.528 1.00 10.00 C ATOM 0 H VAL A 83 22.669 15.869 9.731 1.00 10.00 H new ATOM 0 HA VAL A 83 24.957 14.033 9.857 1.00 10.00 H new ATOM 0 HB VAL A 83 24.113 14.233 7.523 1.00 10.00 H new ATOM 0 HG11 VAL A 83 24.636 16.307 6.215 1.00 10.00 H new ATOM 0 HG12 VAL A 83 23.380 16.559 7.451 1.00 10.00 H new ATOM 0 HG13 VAL A 83 25.041 17.128 7.741 1.00 10.00 H new ATOM 0 HG21 VAL A 83 26.327 14.658 6.444 1.00 10.00 H new ATOM 0 HG22 VAL A 83 26.923 15.301 7.993 1.00 10.00 H new ATOM 0 HG23 VAL A 83 26.433 13.595 7.867 1.00 10.00 H new ATOM 1346 N SER A 84 24.559 17.028 10.796 1.00 10.00 N ATOM 1347 CA SER A 84 25.114 18.166 11.549 1.00 10.00 C ATOM 1348 C SER A 84 25.944 17.743 12.774 1.00 10.00 C ATOM 1349 O SER A 84 25.643 16.741 13.432 1.00 10.00 O ATOM 1350 CB SER A 84 23.979 19.083 12.019 1.00 10.00 C ATOM 1351 OG SER A 84 23.164 19.479 10.923 1.00 10.00 O ATOM 0 H SER A 84 23.539 17.035 10.765 1.00 10.00 H new ATOM 0 HA SER A 84 25.783 18.686 10.864 1.00 10.00 H new ATOM 0 HB2 SER A 84 23.371 18.566 12.762 1.00 10.00 H new ATOM 0 HB3 SER A 84 24.396 19.965 12.506 1.00 10.00 H new ATOM 0 HG SER A 84 22.445 20.062 11.244 1.00 10.00 H new ATOM 1357 N THR A 85 26.972 18.538 13.101 1.00 10.00 N ATOM 1358 CA THR A 85 27.820 18.399 14.306 1.00 10.00 C ATOM 1359 C THR A 85 27.048 18.588 15.619 1.00 10.00 C ATOM 1360 O THR A 85 26.245 19.542 15.725 1.00 10.00 O ATOM 1361 CB THR A 85 29.005 19.372 14.270 1.00 10.00 C ATOM 1362 OG1 THR A 85 28.579 20.675 13.920 1.00 10.00 O ATOM 1363 CG2 THR A 85 30.053 18.932 13.244 1.00 10.00 C ATOM 1364 OXT THR A 85 27.265 17.781 16.551 1.00 10.00 O ATOM 0 H THR A 85 27.251 19.326 12.516 1.00 10.00 H new ATOM 0 HA THR A 85 28.186 17.372 14.285 1.00 10.00 H new ATOM 0 HB THR A 85 29.440 19.373 15.269 1.00 10.00 H new ATOM 0 HG1 THR A 85 29.351 21.279 13.905 1.00 10.00 H new ATOM 0 HG21 THR A 85 30.880 19.642 13.242 1.00 10.00 H new ATOM 0 HG22 THR A 85 30.425 17.941 13.506 1.00 10.00 H new ATOM 0 HG23 THR A 85 29.601 18.899 12.253 1.00 10.00 H new TER 1372 THR A 85