USER MOD reduce.3.24.130724 H: found=0, std=0, add=745, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 744 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 SER N :NH3+ -171:sc= -0.119 (180deg=-0.168) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 2 HIS : no HD1:sc= -2.76 X(o=-2.8,f=-2.8) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 8 CYS SG : rot 124:sc= 0.855 USER MOD Single : A 9 THR OG1 : rot 180:sc= -1.42! USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 151:sc= -2.18! (180deg=-3.88!) USER MOD Single : A 18 THR OG1 : rot -74:sc= 1.14 USER MOD Single : A 22 LYS NZ :NH3+ -141:sc= 0 (180deg=-0.0863) USER MOD Single : A 23 ASN : amide:sc= 1.1 K(o=1.1,f=-0.031) USER MOD Single : A 25 SER OG : rot -173:sc= 1.15 USER MOD Single : A 27 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 THR OG1 : rot 33:sc= 0.51 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot 180:sc= -0.0938 USER MOD Single : A 48 GLN : amide:sc= -0.173 X(o=-0.17,f=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 160:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ -157:sc= 0 (180deg=-0.619) USER MOD Single : A 62 SER OG : rot 71:sc= -0.0726 USER MOD Single : A 68 LYS NZ :NH3+ -176:sc= 0.262 (180deg=0.255) USER MOD Single : A 69 ASN : amide:sc= -4.93! C(o=-4.9!,f=-6.9!) USER MOD Single : A 73 LYS NZ :NH3+ -158:sc= 0.173 (180deg=0.0846) USER MOD Single : A 74 GLN : amide:sc= -1.61! C(o=-1.6!,f=-7.5!) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 TYR OH : rot 180:sc= -4.78! USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 102.273 12.864 -7.034 1.00 0.00 N ATOM 2 CA SER A 1 101.859 11.707 -7.879 1.00 0.00 C ATOM 3 C SER A 1 100.336 11.549 -7.848 1.00 0.00 C ATOM 4 O SER A 1 99.756 10.869 -8.671 1.00 0.00 O ATOM 5 CB SER A 1 102.537 10.492 -7.248 1.00 0.00 C ATOM 6 OG SER A 1 102.996 9.624 -8.276 1.00 0.00 O ATOM 0 H1 SER A 1 103.284 13.057 -7.181 1.00 0.00 H new ATOM 0 H2 SER A 1 101.718 13.703 -7.298 1.00 0.00 H new ATOM 0 H3 SER A 1 102.105 12.640 -6.032 1.00 0.00 H new ATOM 0 HA SER A 1 102.144 11.835 -8.923 1.00 0.00 H new ATOM 0 HB2 SER A 1 103.373 10.810 -6.625 1.00 0.00 H new ATOM 0 HB3 SER A 1 101.837 9.967 -6.598 1.00 0.00 H new ATOM 0 HG SER A 1 103.433 8.844 -7.875 1.00 0.00 H new ATOM 14 N HIS A 2 99.685 12.170 -6.904 1.00 0.00 N ATOM 15 CA HIS A 2 98.201 12.055 -6.821 1.00 0.00 C ATOM 16 C HIS A 2 97.611 13.298 -6.148 1.00 0.00 C ATOM 17 O HIS A 2 98.312 14.243 -5.845 1.00 0.00 O ATOM 18 CB HIS A 2 97.947 10.812 -5.968 1.00 0.00 C ATOM 19 CG HIS A 2 98.394 9.588 -6.718 1.00 0.00 C ATOM 20 ND1 HIS A 2 97.726 9.126 -7.842 1.00 0.00 N ATOM 21 CD2 HIS A 2 99.438 8.720 -6.519 1.00 0.00 C ATOM 22 CE1 HIS A 2 98.371 8.026 -8.271 1.00 0.00 C ATOM 23 NE2 HIS A 2 99.422 7.733 -7.501 1.00 0.00 N ATOM 0 H HIS A 2 100.116 12.752 -6.186 1.00 0.00 H new ATOM 0 HA HIS A 2 97.737 11.976 -7.804 1.00 0.00 H new ATOM 0 HB2 HIS A 2 98.486 10.890 -5.024 1.00 0.00 H new ATOM 0 HB3 HIS A 2 96.887 10.735 -5.725 1.00 0.00 H new ATOM 0 HD2 HIS A 2 100.163 8.792 -5.721 1.00 0.00 H new ATOM 0 HE1 HIS A 2 98.074 7.449 -9.135 1.00 0.00 H new ATOM 0 HE2 HIS A 2 100.072 6.955 -7.609 1.00 0.00 H new ATOM 31 N MET A 3 96.327 13.305 -5.913 1.00 0.00 N ATOM 32 CA MET A 3 95.695 14.487 -5.260 1.00 0.00 C ATOM 33 C MET A 3 96.310 14.720 -3.878 1.00 0.00 C ATOM 34 O MET A 3 97.159 13.973 -3.431 1.00 0.00 O ATOM 35 CB MET A 3 94.215 14.126 -5.135 1.00 0.00 C ATOM 36 CG MET A 3 93.380 15.406 -5.079 1.00 0.00 C ATOM 37 SD MET A 3 92.050 15.314 -6.304 1.00 0.00 S ATOM 38 CE MET A 3 92.971 16.024 -7.690 1.00 0.00 C ATOM 0 H MET A 3 95.689 12.544 -6.145 1.00 0.00 H new ATOM 0 HA MET A 3 95.844 15.403 -5.831 1.00 0.00 H new ATOM 0 HB2 MET A 3 93.906 13.515 -5.983 1.00 0.00 H new ATOM 0 HB3 MET A 3 94.049 13.532 -4.236 1.00 0.00 H new ATOM 0 HG2 MET A 3 92.961 15.536 -4.081 1.00 0.00 H new ATOM 0 HG3 MET A 3 94.011 16.273 -5.276 1.00 0.00 H new ATOM 0 HE1 MET A 3 92.330 16.064 -8.571 1.00 0.00 H new ATOM 0 HE2 MET A 3 93.296 17.032 -7.432 1.00 0.00 H new ATOM 0 HE3 MET A 3 93.842 15.405 -7.903 1.00 0.00 H new ATOM 48 N LEU A 4 95.890 15.750 -3.196 1.00 0.00 N ATOM 49 CA LEU A 4 96.452 16.030 -1.844 1.00 0.00 C ATOM 50 C LEU A 4 95.427 16.776 -0.988 1.00 0.00 C ATOM 51 O LEU A 4 95.046 16.325 0.074 1.00 0.00 O ATOM 52 CB LEU A 4 97.679 16.907 -2.099 1.00 0.00 C ATOM 53 CG LEU A 4 98.285 17.337 -0.763 1.00 0.00 C ATOM 54 CD1 LEU A 4 98.551 16.103 0.100 1.00 0.00 C ATOM 55 CD2 LEU A 4 99.602 18.074 -1.016 1.00 0.00 C ATOM 0 H LEU A 4 95.182 16.410 -3.517 1.00 0.00 H new ATOM 0 HA LEU A 4 96.708 15.117 -1.306 1.00 0.00 H new ATOM 0 HB2 LEU A 4 98.416 16.358 -2.685 1.00 0.00 H new ATOM 0 HB3 LEU A 4 97.398 17.784 -2.682 1.00 0.00 H new ATOM 0 HG LEU A 4 97.590 17.998 -0.246 1.00 0.00 H new ATOM 0 HD11 LEU A 4 98.983 16.411 1.052 1.00 0.00 H new ATOM 0 HD12 LEU A 4 97.614 15.576 0.280 1.00 0.00 H new ATOM 0 HD13 LEU A 4 99.246 15.441 -0.416 1.00 0.00 H new ATOM 0 HD21 LEU A 4 100.036 18.381 -0.064 1.00 0.00 H new ATOM 0 HD22 LEU A 4 100.296 17.412 -1.534 1.00 0.00 H new ATOM 0 HD23 LEU A 4 99.414 18.955 -1.630 1.00 0.00 H new ATOM 67 N GLU A 5 94.978 17.915 -1.441 1.00 0.00 N ATOM 68 CA GLU A 5 93.977 18.690 -0.653 1.00 0.00 C ATOM 69 C GLU A 5 92.889 17.757 -0.112 1.00 0.00 C ATOM 70 O GLU A 5 91.912 17.478 -0.778 1.00 0.00 O ATOM 71 CB GLU A 5 93.382 19.691 -1.644 1.00 0.00 C ATOM 72 CG GLU A 5 94.485 20.617 -2.159 1.00 0.00 C ATOM 73 CD GLU A 5 94.447 20.654 -3.688 1.00 0.00 C ATOM 74 OE1 GLU A 5 93.428 21.054 -4.226 1.00 0.00 O ATOM 75 OE2 GLU A 5 95.438 20.282 -4.295 1.00 0.00 O ATOM 0 H GLU A 5 95.261 18.343 -2.323 1.00 0.00 H new ATOM 0 HA GLU A 5 94.425 19.186 0.208 1.00 0.00 H new ATOM 0 HB2 GLU A 5 92.918 19.162 -2.477 1.00 0.00 H new ATOM 0 HB3 GLU A 5 92.598 20.275 -1.161 1.00 0.00 H new ATOM 0 HG2 GLU A 5 94.349 21.621 -1.757 1.00 0.00 H new ATOM 0 HG3 GLU A 5 95.459 20.266 -1.817 1.00 0.00 H new ATOM 82 N ASP A 6 93.052 17.274 1.088 1.00 0.00 N ATOM 83 CA ASP A 6 92.028 16.360 1.668 1.00 0.00 C ATOM 84 C ASP A 6 90.664 17.054 1.719 1.00 0.00 C ATOM 85 O ASP A 6 89.664 16.487 1.328 1.00 0.00 O ATOM 86 CB ASP A 6 92.527 16.052 3.081 1.00 0.00 C ATOM 87 CG ASP A 6 93.134 14.649 3.114 1.00 0.00 C ATOM 88 OD1 ASP A 6 94.234 14.488 2.615 1.00 0.00 O ATOM 89 OD2 ASP A 6 92.486 13.757 3.640 1.00 0.00 O ATOM 0 H ASP A 6 93.849 17.472 1.692 1.00 0.00 H new ATOM 0 HA ASP A 6 91.900 15.455 1.074 1.00 0.00 H new ATOM 0 HB2 ASP A 6 93.271 16.789 3.384 1.00 0.00 H new ATOM 0 HB3 ASP A 6 91.703 16.120 3.792 1.00 0.00 H new ATOM 94 N PRO A 7 90.671 18.263 2.213 1.00 0.00 N ATOM 95 CA PRO A 7 89.421 19.049 2.332 1.00 0.00 C ATOM 96 C PRO A 7 89.066 19.732 1.005 1.00 0.00 C ATOM 97 O PRO A 7 88.392 20.742 0.980 1.00 0.00 O ATOM 98 CB PRO A 7 89.760 20.089 3.389 1.00 0.00 C ATOM 99 CG PRO A 7 91.252 20.246 3.340 1.00 0.00 C ATOM 100 CD PRO A 7 91.833 18.999 2.718 1.00 0.00 C ATOM 0 HA PRO A 7 88.560 18.432 2.590 1.00 0.00 H new ATOM 0 HB2 PRO A 7 89.260 21.035 3.182 1.00 0.00 H new ATOM 0 HB3 PRO A 7 89.433 19.765 4.377 1.00 0.00 H new ATOM 0 HG2 PRO A 7 91.524 21.125 2.756 1.00 0.00 H new ATOM 0 HG3 PRO A 7 91.653 20.394 4.343 1.00 0.00 H new ATOM 0 HD2 PRO A 7 92.528 19.243 1.914 1.00 0.00 H new ATOM 0 HD3 PRO A 7 92.387 18.412 3.450 1.00 0.00 H new ATOM 108 N CYS A 8 89.511 19.193 -0.094 1.00 0.00 N ATOM 109 CA CYS A 8 89.194 19.817 -1.411 1.00 0.00 C ATOM 110 C CYS A 8 87.752 19.496 -1.814 1.00 0.00 C ATOM 111 O CYS A 8 87.224 20.049 -2.757 1.00 0.00 O ATOM 112 CB CYS A 8 90.179 19.189 -2.397 1.00 0.00 C ATOM 113 SG CYS A 8 90.358 20.266 -3.841 1.00 0.00 S ATOM 0 H CYS A 8 90.080 18.348 -0.139 1.00 0.00 H new ATOM 0 HA CYS A 8 89.283 20.903 -1.385 1.00 0.00 H new ATOM 0 HB2 CYS A 8 91.147 19.043 -1.917 1.00 0.00 H new ATOM 0 HB3 CYS A 8 89.824 18.206 -2.705 1.00 0.00 H new ATOM 0 HG CYS A 8 91.612 20.568 -4.004 1.00 0.00 H new ATOM 119 N THR A 9 87.111 18.610 -1.100 1.00 0.00 N ATOM 120 CA THR A 9 85.708 18.251 -1.425 1.00 0.00 C ATOM 121 C THR A 9 85.240 17.096 -0.540 1.00 0.00 C ATOM 122 O THR A 9 84.254 17.195 0.164 1.00 0.00 O ATOM 123 CB THR A 9 85.716 17.828 -2.898 1.00 0.00 C ATOM 124 OG1 THR A 9 87.047 17.543 -3.305 1.00 0.00 O ATOM 125 CG2 THR A 9 85.138 18.953 -3.759 1.00 0.00 C ATOM 0 H THR A 9 87.506 18.117 -0.299 1.00 0.00 H new ATOM 0 HA THR A 9 85.028 19.085 -1.253 1.00 0.00 H new ATOM 0 HB THR A 9 85.105 16.934 -3.021 1.00 0.00 H new ATOM 0 HG1 THR A 9 87.050 17.272 -4.247 1.00 0.00 H new ATOM 0 HG21 THR A 9 85.145 18.650 -4.806 1.00 0.00 H new ATOM 0 HG22 THR A 9 84.114 19.160 -3.448 1.00 0.00 H new ATOM 0 HG23 THR A 9 85.743 19.852 -3.637 1.00 0.00 H new ATOM 133 N SER A 10 85.943 16.000 -0.570 1.00 0.00 N ATOM 134 CA SER A 10 85.547 14.832 0.268 1.00 0.00 C ATOM 135 C SER A 10 84.030 14.633 0.213 1.00 0.00 C ATOM 136 O SER A 10 83.424 14.139 1.143 1.00 0.00 O ATOM 137 CB SER A 10 85.989 15.191 1.685 1.00 0.00 C ATOM 138 OG SER A 10 87.110 14.395 2.044 1.00 0.00 O ATOM 0 H SER A 10 86.777 15.861 -1.140 1.00 0.00 H new ATOM 0 HA SER A 10 86.002 13.904 -0.077 1.00 0.00 H new ATOM 0 HB2 SER A 10 86.247 16.249 1.741 1.00 0.00 H new ATOM 0 HB3 SER A 10 85.171 15.025 2.386 1.00 0.00 H new ATOM 0 HG SER A 10 87.397 14.625 2.953 1.00 0.00 H new ATOM 144 N LYS A 11 83.414 15.011 -0.872 1.00 0.00 N ATOM 145 CA LYS A 11 81.939 14.842 -0.989 1.00 0.00 C ATOM 146 C LYS A 11 81.614 13.482 -1.609 1.00 0.00 C ATOM 147 O LYS A 11 80.822 12.723 -1.085 1.00 0.00 O ATOM 148 CB LYS A 11 81.480 15.976 -1.906 1.00 0.00 C ATOM 149 CG LYS A 11 80.749 17.036 -1.080 1.00 0.00 C ATOM 150 CD LYS A 11 81.262 18.426 -1.464 1.00 0.00 C ATOM 151 CE LYS A 11 80.191 19.161 -2.271 1.00 0.00 C ATOM 152 NZ LYS A 11 80.704 19.172 -3.669 1.00 0.00 N ATOM 0 H LYS A 11 83.869 15.430 -1.683 1.00 0.00 H new ATOM 0 HA LYS A 11 81.440 14.877 -0.021 1.00 0.00 H new ATOM 0 HB2 LYS A 11 82.338 16.420 -2.410 1.00 0.00 H new ATOM 0 HB3 LYS A 11 80.821 15.586 -2.682 1.00 0.00 H new ATOM 0 HG2 LYS A 11 79.675 16.972 -1.255 1.00 0.00 H new ATOM 0 HG3 LYS A 11 80.910 16.858 -0.017 1.00 0.00 H new ATOM 0 HD2 LYS A 11 81.510 18.994 -0.567 1.00 0.00 H new ATOM 0 HD3 LYS A 11 82.177 18.338 -2.050 1.00 0.00 H new ATOM 0 HE2 LYS A 11 79.229 18.652 -2.207 1.00 0.00 H new ATOM 0 HE3 LYS A 11 80.041 20.174 -1.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 80.023 19.660 -4.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 81.617 19.669 -3.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 80.831 18.194 -4.000 1.00 0.00 H new ATOM 166 N LYS A 12 82.222 13.164 -2.719 1.00 0.00 N ATOM 167 CA LYS A 12 81.948 11.849 -3.365 1.00 0.00 C ATOM 168 C LYS A 12 82.823 10.765 -2.737 1.00 0.00 C ATOM 169 O LYS A 12 82.891 9.650 -3.214 1.00 0.00 O ATOM 170 CB LYS A 12 82.303 12.044 -4.839 1.00 0.00 C ATOM 171 CG LYS A 12 81.512 13.227 -5.402 1.00 0.00 C ATOM 172 CD LYS A 12 80.145 12.741 -5.889 1.00 0.00 C ATOM 173 CE LYS A 12 80.247 12.310 -7.354 1.00 0.00 C ATOM 174 NZ LYS A 12 80.932 10.988 -7.317 1.00 0.00 N ATOM 0 H LYS A 12 82.895 13.756 -3.206 1.00 0.00 H new ATOM 0 HA LYS A 12 80.912 11.534 -3.239 1.00 0.00 H new ATOM 0 HB2 LYS A 12 83.373 12.224 -4.946 1.00 0.00 H new ATOM 0 HB3 LYS A 12 82.074 11.139 -5.402 1.00 0.00 H new ATOM 0 HG2 LYS A 12 81.386 13.992 -4.636 1.00 0.00 H new ATOM 0 HG3 LYS A 12 82.060 13.687 -6.224 1.00 0.00 H new ATOM 0 HD2 LYS A 12 79.805 11.906 -5.276 1.00 0.00 H new ATOM 0 HD3 LYS A 12 79.406 13.535 -5.783 1.00 0.00 H new ATOM 0 HE2 LYS A 12 79.261 12.232 -7.812 1.00 0.00 H new ATOM 0 HE3 LYS A 12 80.814 13.033 -7.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 80.625 10.415 -8.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 81.961 11.129 -7.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 80.689 10.496 -6.434 1.00 0.00 H new ATOM 188 N VAL A 13 83.484 11.084 -1.661 1.00 0.00 N ATOM 189 CA VAL A 13 84.347 10.074 -0.988 1.00 0.00 C ATOM 190 C VAL A 13 83.578 9.433 0.165 1.00 0.00 C ATOM 191 O VAL A 13 83.754 8.272 0.476 1.00 0.00 O ATOM 192 CB VAL A 13 85.550 10.860 -0.466 1.00 0.00 C ATOM 193 CG1 VAL A 13 86.543 9.900 0.190 1.00 0.00 C ATOM 194 CG2 VAL A 13 86.231 11.581 -1.631 1.00 0.00 C ATOM 0 H VAL A 13 83.464 12.002 -1.217 1.00 0.00 H new ATOM 0 HA VAL A 13 84.655 9.271 -1.658 1.00 0.00 H new ATOM 0 HB VAL A 13 85.214 11.592 0.269 1.00 0.00 H new ATOM 0 HG11 VAL A 13 87.400 10.461 0.562 1.00 0.00 H new ATOM 0 HG12 VAL A 13 86.058 9.386 1.020 1.00 0.00 H new ATOM 0 HG13 VAL A 13 86.880 9.167 -0.544 1.00 0.00 H new ATOM 0 HG21 VAL A 13 87.089 12.142 -1.260 1.00 0.00 H new ATOM 0 HG22 VAL A 13 86.566 10.849 -2.366 1.00 0.00 H new ATOM 0 HG23 VAL A 13 85.524 12.266 -2.098 1.00 0.00 H new ATOM 204 N ARG A 14 82.716 10.181 0.794 1.00 0.00 N ATOM 205 CA ARG A 14 81.922 9.617 1.919 1.00 0.00 C ATOM 206 C ARG A 14 80.834 8.695 1.367 1.00 0.00 C ATOM 207 O ARG A 14 80.518 7.676 1.943 1.00 0.00 O ATOM 208 CB ARG A 14 81.300 10.829 2.612 1.00 0.00 C ATOM 209 CG ARG A 14 81.646 10.800 4.102 1.00 0.00 C ATOM 210 CD ARG A 14 80.628 11.639 4.876 1.00 0.00 C ATOM 211 NE ARG A 14 81.406 12.790 5.412 1.00 0.00 N ATOM 212 CZ ARG A 14 82.101 12.654 6.509 1.00 0.00 C ATOM 213 NH1 ARG A 14 81.491 12.515 7.654 1.00 0.00 N ATOM 214 NH2 ARG A 14 83.405 12.658 6.460 1.00 0.00 N ATOM 0 H ARG A 14 82.527 11.160 0.577 1.00 0.00 H new ATOM 0 HA ARG A 14 82.528 9.027 2.607 1.00 0.00 H new ATOM 0 HB2 ARG A 14 81.670 11.749 2.160 1.00 0.00 H new ATOM 0 HB3 ARG A 14 80.218 10.821 2.479 1.00 0.00 H new ATOM 0 HG2 ARG A 14 81.641 9.773 4.468 1.00 0.00 H new ATOM 0 HG3 ARG A 14 82.651 11.190 4.261 1.00 0.00 H new ATOM 0 HD2 ARG A 14 79.820 11.977 4.227 1.00 0.00 H new ATOM 0 HD3 ARG A 14 80.171 11.062 5.680 1.00 0.00 H new ATOM 0 HE ARG A 14 81.396 13.685 4.922 1.00 0.00 H new ATOM 0 HH11 ARG A 14 80.472 12.513 7.692 1.00 0.00 H new ATOM 0 HH12 ARG A 14 82.033 12.409 8.511 1.00 0.00 H new ATOM 0 HH21 ARG A 14 83.881 12.767 5.565 1.00 0.00 H new ATOM 0 HH22 ARG A 14 83.948 12.552 7.317 1.00 0.00 H new ATOM 228 N ALA A 15 80.263 9.047 0.247 1.00 0.00 N ATOM 229 CA ALA A 15 79.201 8.190 -0.345 1.00 0.00 C ATOM 230 C ALA A 15 79.792 6.849 -0.786 1.00 0.00 C ATOM 231 O ALA A 15 79.076 5.932 -1.139 1.00 0.00 O ATOM 232 CB ALA A 15 78.682 8.973 -1.551 1.00 0.00 C ATOM 0 H ALA A 15 80.487 9.890 -0.282 1.00 0.00 H new ATOM 0 HA ALA A 15 78.405 7.968 0.366 1.00 0.00 H new ATOM 0 HB1 ALA A 15 77.893 8.404 -2.042 1.00 0.00 H new ATOM 0 HB2 ALA A 15 78.284 9.932 -1.219 1.00 0.00 H new ATOM 0 HB3 ALA A 15 79.498 9.143 -2.253 1.00 0.00 H new ATOM 238 N ALA A 16 81.093 6.726 -0.776 1.00 0.00 N ATOM 239 CA ALA A 16 81.716 5.439 -1.200 1.00 0.00 C ATOM 240 C ALA A 16 81.944 4.532 0.005 1.00 0.00 C ATOM 241 O ALA A 16 82.581 3.502 -0.087 1.00 0.00 O ATOM 242 CB ALA A 16 83.043 5.829 -1.844 1.00 0.00 C ATOM 0 H ALA A 16 81.747 7.456 -0.494 1.00 0.00 H new ATOM 0 HA ALA A 16 81.080 4.885 -1.890 1.00 0.00 H new ATOM 0 HB1 ALA A 16 83.561 4.932 -2.182 1.00 0.00 H new ATOM 0 HB2 ALA A 16 82.856 6.483 -2.696 1.00 0.00 H new ATOM 0 HB3 ALA A 16 83.662 6.352 -1.115 1.00 0.00 H new ATOM 248 N ARG A 17 81.410 4.897 1.128 1.00 0.00 N ATOM 249 CA ARG A 17 81.563 4.048 2.341 1.00 0.00 C ATOM 250 C ARG A 17 80.212 3.421 2.651 1.00 0.00 C ATOM 251 O ARG A 17 80.090 2.542 3.480 1.00 0.00 O ATOM 252 CB ARG A 17 81.978 4.984 3.484 1.00 0.00 C ATOM 253 CG ARG A 17 82.762 6.185 2.950 1.00 0.00 C ATOM 254 CD ARG A 17 84.195 5.760 2.624 1.00 0.00 C ATOM 255 NE ARG A 17 85.050 6.866 3.136 1.00 0.00 N ATOM 256 CZ ARG A 17 85.605 6.771 4.315 1.00 0.00 C ATOM 257 NH1 ARG A 17 86.607 5.957 4.500 1.00 0.00 N ATOM 258 NH2 ARG A 17 85.156 7.491 5.306 1.00 0.00 N ATOM 0 H ARG A 17 80.870 5.752 1.263 1.00 0.00 H new ATOM 0 HA ARG A 17 82.303 3.259 2.204 1.00 0.00 H new ATOM 0 HB2 ARG A 17 81.092 5.331 4.015 1.00 0.00 H new ATOM 0 HB3 ARG A 17 82.588 4.438 4.204 1.00 0.00 H new ATOM 0 HG2 ARG A 17 82.277 6.580 2.057 1.00 0.00 H new ATOM 0 HG3 ARG A 17 82.769 6.985 3.690 1.00 0.00 H new ATOM 0 HD2 ARG A 17 84.445 4.814 3.103 1.00 0.00 H new ATOM 0 HD3 ARG A 17 84.331 5.620 1.552 1.00 0.00 H new ATOM 0 HE ARG A 17 85.203 7.698 2.566 1.00 0.00 H new ATOM 0 HH11 ARG A 17 86.957 5.395 3.724 1.00 0.00 H new ATOM 0 HH12 ARG A 17 87.040 5.883 5.420 1.00 0.00 H new ATOM 0 HH21 ARG A 17 84.372 8.127 5.160 1.00 0.00 H new ATOM 0 HH22 ARG A 17 85.589 7.418 6.227 1.00 0.00 H new ATOM 272 N THR A 18 79.188 3.887 1.989 1.00 0.00 N ATOM 273 CA THR A 18 77.827 3.334 2.243 1.00 0.00 C ATOM 274 C THR A 18 76.933 3.493 1.010 1.00 0.00 C ATOM 275 O THR A 18 77.124 4.374 0.195 1.00 0.00 O ATOM 276 CB THR A 18 77.281 4.164 3.405 1.00 0.00 C ATOM 277 OG1 THR A 18 77.910 3.756 4.612 1.00 0.00 O ATOM 278 CG2 THR A 18 75.769 3.959 3.520 1.00 0.00 C ATOM 0 H THR A 18 79.234 4.624 1.286 1.00 0.00 H new ATOM 0 HA THR A 18 77.856 2.268 2.469 1.00 0.00 H new ATOM 0 HB THR A 18 77.487 5.219 3.225 1.00 0.00 H new ATOM 0 HG1 THR A 18 77.547 2.890 4.894 1.00 0.00 H new ATOM 0 HG21 THR A 18 75.383 4.552 4.349 1.00 0.00 H new ATOM 0 HG22 THR A 18 75.288 4.274 2.594 1.00 0.00 H new ATOM 0 HG23 THR A 18 75.557 2.905 3.699 1.00 0.00 H new ATOM 286 N LEU A 19 75.949 2.647 0.879 1.00 0.00 N ATOM 287 CA LEU A 19 75.021 2.738 -0.288 1.00 0.00 C ATOM 288 C LEU A 19 73.667 2.136 0.087 1.00 0.00 C ATOM 289 O LEU A 19 73.454 1.713 1.206 1.00 0.00 O ATOM 290 CB LEU A 19 75.656 1.930 -1.435 1.00 0.00 C ATOM 291 CG LEU A 19 76.743 0.986 -0.916 1.00 0.00 C ATOM 292 CD1 LEU A 19 76.812 -0.248 -1.815 1.00 0.00 C ATOM 293 CD2 LEU A 19 78.090 1.711 -0.941 1.00 0.00 C ATOM 0 H LEU A 19 75.745 1.891 1.533 1.00 0.00 H new ATOM 0 HA LEU A 19 74.865 3.775 -0.586 1.00 0.00 H new ATOM 0 HB2 LEU A 19 74.885 1.354 -1.947 1.00 0.00 H new ATOM 0 HB3 LEU A 19 76.084 2.612 -2.169 1.00 0.00 H new ATOM 0 HG LEU A 19 76.510 0.680 0.104 1.00 0.00 H new ATOM 0 HD11 LEU A 19 77.585 -0.923 -1.448 1.00 0.00 H new ATOM 0 HD12 LEU A 19 75.850 -0.760 -1.805 1.00 0.00 H new ATOM 0 HD13 LEU A 19 77.050 0.057 -2.834 1.00 0.00 H new ATOM 0 HD21 LEU A 19 78.869 1.044 -0.572 1.00 0.00 H new ATOM 0 HD22 LEU A 19 78.323 2.011 -1.963 1.00 0.00 H new ATOM 0 HD23 LEU A 19 78.039 2.595 -0.306 1.00 0.00 H new ATOM 305 N LEU A 20 72.753 2.094 -0.838 1.00 0.00 N ATOM 306 CA LEU A 20 71.415 1.517 -0.533 1.00 0.00 C ATOM 307 C LEU A 20 71.053 0.453 -1.571 1.00 0.00 C ATOM 308 O LEU A 20 70.959 0.730 -2.751 1.00 0.00 O ATOM 309 CB LEU A 20 70.446 2.698 -0.608 1.00 0.00 C ATOM 310 CG LEU A 20 69.006 2.184 -0.545 1.00 0.00 C ATOM 311 CD1 LEU A 20 68.391 2.552 0.806 1.00 0.00 C ATOM 312 CD2 LEU A 20 68.187 2.824 -1.668 1.00 0.00 C ATOM 0 H LEU A 20 72.873 2.434 -1.792 1.00 0.00 H new ATOM 0 HA LEU A 20 71.385 1.031 0.442 1.00 0.00 H new ATOM 0 HB2 LEU A 20 70.633 3.388 0.215 1.00 0.00 H new ATOM 0 HB3 LEU A 20 70.605 3.254 -1.532 1.00 0.00 H new ATOM 0 HG LEU A 20 69.002 1.100 -0.663 1.00 0.00 H new ATOM 0 HD11 LEU A 20 67.365 2.186 0.851 1.00 0.00 H new ATOM 0 HD12 LEU A 20 68.974 2.097 1.607 1.00 0.00 H new ATOM 0 HD13 LEU A 20 68.395 3.636 0.924 1.00 0.00 H new ATOM 0 HD21 LEU A 20 67.161 2.458 -1.624 1.00 0.00 H new ATOM 0 HD22 LEU A 20 68.192 3.908 -1.550 1.00 0.00 H new ATOM 0 HD23 LEU A 20 68.624 2.563 -2.632 1.00 0.00 H new ATOM 324 N ALA A 21 70.847 -0.760 -1.140 1.00 0.00 N ATOM 325 CA ALA A 21 70.485 -1.839 -2.100 1.00 0.00 C ATOM 326 C ALA A 21 69.004 -1.727 -2.465 1.00 0.00 C ATOM 327 O ALA A 21 68.143 -1.717 -1.606 1.00 0.00 O ATOM 328 CB ALA A 21 70.758 -3.146 -1.354 1.00 0.00 C ATOM 0 H ALA A 21 70.914 -1.051 -0.165 1.00 0.00 H new ATOM 0 HA ALA A 21 71.053 -1.780 -3.029 1.00 0.00 H new ATOM 0 HB1 ALA A 21 70.514 -3.991 -1.999 1.00 0.00 H new ATOM 0 HB2 ALA A 21 71.811 -3.193 -1.076 1.00 0.00 H new ATOM 0 HB3 ALA A 21 70.143 -3.187 -0.455 1.00 0.00 H new ATOM 334 N LYS A 22 68.700 -1.636 -3.730 1.00 0.00 N ATOM 335 CA LYS A 22 67.275 -1.520 -4.144 1.00 0.00 C ATOM 336 C LYS A 22 66.908 -2.652 -5.103 1.00 0.00 C ATOM 337 O LYS A 22 67.741 -3.447 -5.491 1.00 0.00 O ATOM 338 CB LYS A 22 67.176 -0.168 -4.852 1.00 0.00 C ATOM 339 CG LYS A 22 65.707 0.240 -4.979 1.00 0.00 C ATOM 340 CD LYS A 22 65.260 0.098 -6.435 1.00 0.00 C ATOM 341 CE LYS A 22 63.890 0.754 -6.616 1.00 0.00 C ATOM 342 NZ LYS A 22 64.181 2.202 -6.809 1.00 0.00 N ATOM 0 H LYS A 22 69.376 -1.637 -4.494 1.00 0.00 H new ATOM 0 HA LYS A 22 66.594 -1.588 -3.296 1.00 0.00 H new ATOM 0 HB2 LYS A 22 67.726 0.588 -4.292 1.00 0.00 H new ATOM 0 HB3 LYS A 22 67.633 -0.229 -5.840 1.00 0.00 H new ATOM 0 HG2 LYS A 22 65.088 -0.385 -4.335 1.00 0.00 H new ATOM 0 HG3 LYS A 22 65.575 1.269 -4.646 1.00 0.00 H new ATOM 0 HD2 LYS A 22 65.989 0.565 -7.097 1.00 0.00 H new ATOM 0 HD3 LYS A 22 65.209 -0.956 -6.710 1.00 0.00 H new ATOM 0 HE2 LYS A 22 63.364 0.339 -7.475 1.00 0.00 H new ATOM 0 HE3 LYS A 22 63.256 0.591 -5.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 63.465 2.769 -6.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 65.123 2.421 -6.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 64.158 2.428 -7.824 1.00 0.00 H new ATOM 356 N ASN A 23 65.666 -2.731 -5.486 1.00 0.00 N ATOM 357 CA ASN A 23 65.240 -3.811 -6.421 1.00 0.00 C ATOM 358 C ASN A 23 65.483 -5.184 -5.788 1.00 0.00 C ATOM 359 O ASN A 23 65.423 -6.201 -6.450 1.00 0.00 O ATOM 360 CB ASN A 23 66.115 -3.629 -7.662 1.00 0.00 C ATOM 361 CG ASN A 23 65.432 -4.274 -8.869 1.00 0.00 C ATOM 362 OD1 ASN A 23 64.367 -3.851 -9.277 1.00 0.00 O ATOM 363 ND2 ASN A 23 66.003 -5.286 -9.462 1.00 0.00 N ATOM 0 H ASN A 23 64.925 -2.094 -5.192 1.00 0.00 H new ATOM 0 HA ASN A 23 64.178 -3.756 -6.660 1.00 0.00 H new ATOM 0 HB2 ASN A 23 66.282 -2.568 -7.849 1.00 0.00 H new ATOM 0 HB3 ASN A 23 67.093 -4.082 -7.500 1.00 0.00 H new ATOM 0 HD21 ASN A 23 65.556 -5.723 -10.268 1.00 0.00 H new ATOM 0 HD22 ASN A 23 66.896 -5.640 -9.119 1.00 0.00 H new ATOM 370 N LEU A 24 65.752 -5.220 -4.513 1.00 0.00 N ATOM 371 CA LEU A 24 65.993 -6.529 -3.840 1.00 0.00 C ATOM 372 C LEU A 24 64.774 -7.437 -4.025 1.00 0.00 C ATOM 373 O LEU A 24 63.960 -7.225 -4.900 1.00 0.00 O ATOM 374 CB LEU A 24 66.193 -6.185 -2.361 1.00 0.00 C ATOM 375 CG LEU A 24 67.642 -5.763 -2.119 1.00 0.00 C ATOM 376 CD1 LEU A 24 68.567 -6.963 -2.329 1.00 0.00 C ATOM 377 CD2 LEU A 24 68.018 -4.650 -3.100 1.00 0.00 C ATOM 0 H LEU A 24 65.816 -4.402 -3.908 1.00 0.00 H new ATOM 0 HA LEU A 24 66.853 -7.059 -4.249 1.00 0.00 H new ATOM 0 HB2 LEU A 24 65.517 -5.381 -2.071 1.00 0.00 H new ATOM 0 HB3 LEU A 24 65.947 -7.047 -1.741 1.00 0.00 H new ATOM 0 HG LEU A 24 67.749 -5.399 -1.097 1.00 0.00 H new ATOM 0 HD11 LEU A 24 69.600 -6.661 -2.156 1.00 0.00 H new ATOM 0 HD12 LEU A 24 68.299 -7.756 -1.630 1.00 0.00 H new ATOM 0 HD13 LEU A 24 68.462 -7.329 -3.350 1.00 0.00 H new ATOM 0 HD21 LEU A 24 69.051 -4.348 -2.929 1.00 0.00 H new ATOM 0 HD22 LEU A 24 67.911 -5.014 -4.122 1.00 0.00 H new ATOM 0 HD23 LEU A 24 67.360 -3.794 -2.949 1.00 0.00 H new ATOM 389 N SER A 25 64.640 -8.447 -3.209 1.00 0.00 N ATOM 390 CA SER A 25 63.472 -9.360 -3.346 1.00 0.00 C ATOM 391 C SER A 25 62.806 -9.570 -1.984 1.00 0.00 C ATOM 392 O SER A 25 63.389 -9.309 -0.951 1.00 0.00 O ATOM 393 CB SER A 25 64.052 -10.673 -3.869 1.00 0.00 C ATOM 394 OG SER A 25 63.188 -11.207 -4.862 1.00 0.00 O ATOM 0 H SER A 25 65.288 -8.678 -2.456 1.00 0.00 H new ATOM 0 HA SER A 25 62.710 -8.959 -4.014 1.00 0.00 H new ATOM 0 HB2 SER A 25 65.044 -10.504 -4.287 1.00 0.00 H new ATOM 0 HB3 SER A 25 64.167 -11.384 -3.051 1.00 0.00 H new ATOM 0 HG SER A 25 63.496 -12.102 -5.116 1.00 0.00 H new ATOM 400 N PHE A 26 61.589 -10.037 -1.975 1.00 0.00 N ATOM 401 CA PHE A 26 60.886 -10.263 -0.685 1.00 0.00 C ATOM 402 C PHE A 26 61.526 -11.436 0.062 1.00 0.00 C ATOM 403 O PHE A 26 61.278 -11.648 1.232 1.00 0.00 O ATOM 404 CB PHE A 26 59.453 -10.597 -1.089 1.00 0.00 C ATOM 405 CG PHE A 26 58.583 -9.371 -0.940 1.00 0.00 C ATOM 406 CD1 PHE A 26 58.746 -8.289 -1.814 1.00 0.00 C ATOM 407 CD2 PHE A 26 57.614 -9.317 0.067 1.00 0.00 C ATOM 408 CE1 PHE A 26 57.938 -7.155 -1.680 1.00 0.00 C ATOM 409 CE2 PHE A 26 56.806 -8.182 0.202 1.00 0.00 C ATOM 410 CZ PHE A 26 56.967 -7.101 -0.673 1.00 0.00 C ATOM 0 H PHE A 26 61.051 -10.272 -2.809 1.00 0.00 H new ATOM 0 HA PHE A 26 60.936 -9.402 -0.019 1.00 0.00 H new ATOM 0 HB2 PHE A 26 59.428 -10.949 -2.120 1.00 0.00 H new ATOM 0 HB3 PHE A 26 59.069 -11.405 -0.467 1.00 0.00 H new ATOM 0 HD1 PHE A 26 59.495 -8.330 -2.591 1.00 0.00 H new ATOM 0 HD2 PHE A 26 57.489 -10.152 0.741 1.00 0.00 H new ATOM 0 HE1 PHE A 26 58.063 -6.320 -2.354 1.00 0.00 H new ATOM 0 HE2 PHE A 26 56.059 -8.140 0.981 1.00 0.00 H new ATOM 0 HZ PHE A 26 56.342 -6.226 -0.571 1.00 0.00 H new ATOM 420 N ASN A 27 62.343 -12.201 -0.609 1.00 0.00 N ATOM 421 CA ASN A 27 62.994 -13.360 0.056 1.00 0.00 C ATOM 422 C ASN A 27 64.420 -13.000 0.484 1.00 0.00 C ATOM 423 O ASN A 27 64.829 -13.270 1.597 1.00 0.00 O ATOM 424 CB ASN A 27 63.015 -14.464 -1.003 1.00 0.00 C ATOM 425 CG ASN A 27 62.537 -15.777 -0.380 1.00 0.00 C ATOM 426 OD1 ASN A 27 61.469 -16.261 -0.701 1.00 0.00 O ATOM 427 ND2 ASN A 27 63.286 -16.377 0.503 1.00 0.00 N ATOM 0 H ASN A 27 62.587 -12.071 -1.591 1.00 0.00 H new ATOM 0 HA ASN A 27 62.463 -13.667 0.957 1.00 0.00 H new ATOM 0 HB2 ASN A 27 62.373 -14.192 -1.841 1.00 0.00 H new ATOM 0 HB3 ASN A 27 64.023 -14.583 -1.400 1.00 0.00 H new ATOM 0 HD21 ASN A 27 62.976 -17.253 0.924 1.00 0.00 H new ATOM 0 HD22 ASN A 27 64.182 -15.971 0.772 1.00 0.00 H new ATOM 434 N ILE A 28 65.182 -12.398 -0.388 1.00 0.00 N ATOM 435 CA ILE A 28 66.581 -12.030 -0.022 1.00 0.00 C ATOM 436 C ILE A 28 66.606 -11.396 1.373 1.00 0.00 C ATOM 437 O ILE A 28 65.581 -11.087 1.946 1.00 0.00 O ATOM 438 CB ILE A 28 67.035 -11.047 -1.119 1.00 0.00 C ATOM 439 CG1 ILE A 28 68.074 -11.738 -2.002 1.00 0.00 C ATOM 440 CG2 ILE A 28 67.659 -9.781 -0.517 1.00 0.00 C ATOM 441 CD1 ILE A 28 68.334 -10.889 -3.245 1.00 0.00 C ATOM 0 H ILE A 28 64.899 -12.145 -1.335 1.00 0.00 H new ATOM 0 HA ILE A 28 67.250 -12.889 0.028 1.00 0.00 H new ATOM 0 HB ILE A 28 66.161 -10.755 -1.700 1.00 0.00 H new ATOM 0 HG12 ILE A 28 69.001 -11.881 -1.447 1.00 0.00 H new ATOM 0 HG13 ILE A 28 67.720 -12.727 -2.292 1.00 0.00 H new ATOM 0 HG21 ILE A 28 67.968 -9.111 -1.319 1.00 0.00 H new ATOM 0 HG22 ILE A 28 66.926 -9.279 0.114 1.00 0.00 H new ATOM 0 HG23 ILE A 28 68.528 -10.053 0.083 1.00 0.00 H new ATOM 0 HD11 ILE A 28 69.075 -11.382 -3.874 1.00 0.00 H new ATOM 0 HD12 ILE A 28 67.406 -10.768 -3.804 1.00 0.00 H new ATOM 0 HD13 ILE A 28 68.707 -9.910 -2.945 1.00 0.00 H new ATOM 453 N THR A 29 67.775 -11.206 1.917 1.00 0.00 N ATOM 454 CA THR A 29 67.880 -10.599 3.278 1.00 0.00 C ATOM 455 C THR A 29 69.315 -10.138 3.544 1.00 0.00 C ATOM 456 O THR A 29 70.177 -10.234 2.693 1.00 0.00 O ATOM 457 CB THR A 29 67.507 -11.726 4.242 1.00 0.00 C ATOM 458 OG1 THR A 29 68.034 -12.952 3.755 1.00 0.00 O ATOM 459 CG2 THR A 29 65.986 -11.828 4.358 1.00 0.00 C ATOM 0 H THR A 29 68.665 -11.444 1.479 1.00 0.00 H new ATOM 0 HA THR A 29 67.235 -9.727 3.389 1.00 0.00 H new ATOM 0 HB THR A 29 67.924 -11.514 5.227 1.00 0.00 H new ATOM 0 HG1 THR A 29 68.883 -12.783 3.295 1.00 0.00 H new ATOM 0 HG21 THR A 29 65.727 -12.633 5.046 1.00 0.00 H new ATOM 0 HG22 THR A 29 65.586 -10.886 4.734 1.00 0.00 H new ATOM 0 HG23 THR A 29 65.560 -12.038 3.377 1.00 0.00 H new ATOM 467 N GLU A 30 69.580 -9.652 4.726 1.00 0.00 N ATOM 468 CA GLU A 30 70.964 -9.202 5.046 1.00 0.00 C ATOM 469 C GLU A 30 71.952 -10.316 4.702 1.00 0.00 C ATOM 470 O GLU A 30 73.071 -10.068 4.300 1.00 0.00 O ATOM 471 CB GLU A 30 70.959 -8.929 6.551 1.00 0.00 C ATOM 472 CG GLU A 30 71.488 -7.519 6.816 1.00 0.00 C ATOM 473 CD GLU A 30 71.874 -7.388 8.291 1.00 0.00 C ATOM 474 OE1 GLU A 30 70.997 -7.532 9.128 1.00 0.00 O ATOM 475 OE2 GLU A 30 73.038 -7.147 8.559 1.00 0.00 O ATOM 0 H GLU A 30 68.902 -9.547 5.480 1.00 0.00 H new ATOM 0 HA GLU A 30 71.260 -8.318 4.482 1.00 0.00 H new ATOM 0 HB2 GLU A 30 69.948 -9.030 6.946 1.00 0.00 H new ATOM 0 HB3 GLU A 30 71.577 -9.664 7.067 1.00 0.00 H new ATOM 0 HG2 GLU A 30 72.353 -7.319 6.184 1.00 0.00 H new ATOM 0 HG3 GLU A 30 70.728 -6.780 6.561 1.00 0.00 H new ATOM 482 N ASP A 31 71.537 -11.545 4.846 1.00 0.00 N ATOM 483 CA ASP A 31 72.442 -12.680 4.517 1.00 0.00 C ATOM 484 C ASP A 31 72.845 -12.602 3.047 1.00 0.00 C ATOM 485 O ASP A 31 74.010 -12.513 2.713 1.00 0.00 O ATOM 486 CB ASP A 31 71.617 -13.939 4.785 1.00 0.00 C ATOM 487 CG ASP A 31 71.650 -14.264 6.279 1.00 0.00 C ATOM 488 OD1 ASP A 31 72.540 -13.773 6.953 1.00 0.00 O ATOM 489 OD2 ASP A 31 70.783 -14.999 6.725 1.00 0.00 O ATOM 0 H ASP A 31 70.610 -11.811 5.177 1.00 0.00 H new ATOM 0 HA ASP A 31 73.359 -12.670 5.106 1.00 0.00 H new ATOM 0 HB2 ASP A 31 70.588 -13.789 4.458 1.00 0.00 H new ATOM 0 HB3 ASP A 31 72.015 -14.776 4.211 1.00 0.00 H new ATOM 494 N GLU A 32 71.886 -12.620 2.166 1.00 0.00 N ATOM 495 CA GLU A 32 72.209 -12.530 0.714 1.00 0.00 C ATOM 496 C GLU A 32 72.958 -11.226 0.441 1.00 0.00 C ATOM 497 O GLU A 32 73.839 -11.159 -0.397 1.00 0.00 O ATOM 498 CB GLU A 32 70.858 -12.539 0.000 1.00 0.00 C ATOM 499 CG GLU A 32 70.305 -13.965 -0.031 1.00 0.00 C ATOM 500 CD GLU A 32 69.383 -14.181 1.171 1.00 0.00 C ATOM 501 OE1 GLU A 32 69.660 -13.612 2.214 1.00 0.00 O ATOM 502 OE2 GLU A 32 68.417 -14.912 1.027 1.00 0.00 O ATOM 0 H GLU A 32 70.893 -12.693 2.387 1.00 0.00 H new ATOM 0 HA GLU A 32 72.844 -13.348 0.373 1.00 0.00 H new ATOM 0 HB2 GLU A 32 70.159 -11.878 0.513 1.00 0.00 H new ATOM 0 HB3 GLU A 32 70.969 -12.159 -1.015 1.00 0.00 H new ATOM 0 HG2 GLU A 32 69.757 -14.134 -0.958 1.00 0.00 H new ATOM 0 HG3 GLU A 32 71.124 -14.684 -0.009 1.00 0.00 H new ATOM 509 N LEU A 33 72.629 -10.194 1.165 1.00 0.00 N ATOM 510 CA LEU A 33 73.328 -8.900 0.972 1.00 0.00 C ATOM 511 C LEU A 33 74.737 -9.031 1.530 1.00 0.00 C ATOM 512 O LEU A 33 75.681 -8.466 1.015 1.00 0.00 O ATOM 513 CB LEU A 33 72.518 -7.880 1.772 1.00 0.00 C ATOM 514 CG LEU A 33 71.441 -7.265 0.877 1.00 0.00 C ATOM 515 CD1 LEU A 33 72.103 -6.465 -0.245 1.00 0.00 C ATOM 516 CD2 LEU A 33 70.587 -8.381 0.270 1.00 0.00 C ATOM 0 H LEU A 33 71.904 -10.193 1.883 1.00 0.00 H new ATOM 0 HA LEU A 33 73.405 -8.602 -0.074 1.00 0.00 H new ATOM 0 HB2 LEU A 33 72.057 -8.362 2.634 1.00 0.00 H new ATOM 0 HB3 LEU A 33 73.175 -7.100 2.156 1.00 0.00 H new ATOM 0 HG LEU A 33 70.810 -6.603 1.471 1.00 0.00 H new ATOM 0 HD11 LEU A 33 71.334 -6.027 -0.882 1.00 0.00 H new ATOM 0 HD12 LEU A 33 72.713 -5.671 0.185 1.00 0.00 H new ATOM 0 HD13 LEU A 33 72.734 -7.126 -0.839 1.00 0.00 H new ATOM 0 HD21 LEU A 33 69.819 -7.945 -0.368 1.00 0.00 H new ATOM 0 HD22 LEU A 33 71.220 -9.042 -0.323 1.00 0.00 H new ATOM 0 HD23 LEU A 33 70.114 -8.952 1.069 1.00 0.00 H new ATOM 528 N LYS A 34 74.884 -9.797 2.575 1.00 0.00 N ATOM 529 CA LYS A 34 76.234 -9.990 3.157 1.00 0.00 C ATOM 530 C LYS A 34 77.035 -10.907 2.243 1.00 0.00 C ATOM 531 O LYS A 34 78.248 -10.861 2.190 1.00 0.00 O ATOM 532 CB LYS A 34 76.002 -10.641 4.521 1.00 0.00 C ATOM 533 CG LYS A 34 77.318 -11.225 5.039 1.00 0.00 C ATOM 534 CD LYS A 34 77.250 -12.753 5.000 1.00 0.00 C ATOM 535 CE LYS A 34 78.026 -13.330 6.185 1.00 0.00 C ATOM 536 NZ LYS A 34 77.046 -14.192 6.904 1.00 0.00 N ATOM 0 H LYS A 34 74.129 -10.294 3.047 1.00 0.00 H new ATOM 0 HA LYS A 34 76.790 -9.058 3.262 1.00 0.00 H new ATOM 0 HB2 LYS A 34 75.616 -9.905 5.226 1.00 0.00 H new ATOM 0 HB3 LYS A 34 75.251 -11.427 4.438 1.00 0.00 H new ATOM 0 HG2 LYS A 34 78.150 -10.872 4.429 1.00 0.00 H new ATOM 0 HG3 LYS A 34 77.503 -10.885 6.058 1.00 0.00 H new ATOM 0 HD2 LYS A 34 76.212 -13.082 5.037 1.00 0.00 H new ATOM 0 HD3 LYS A 34 77.668 -13.122 4.064 1.00 0.00 H new ATOM 0 HE2 LYS A 34 78.888 -13.907 5.849 1.00 0.00 H new ATOM 0 HE3 LYS A 34 78.405 -12.539 6.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 77.505 -14.624 7.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 76.240 -13.614 7.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 76.708 -14.940 6.266 1.00 0.00 H new ATOM 550 N GLU A 35 76.346 -11.726 1.506 1.00 0.00 N ATOM 551 CA GLU A 35 77.027 -12.647 0.562 1.00 0.00 C ATOM 552 C GLU A 35 77.347 -11.890 -0.727 1.00 0.00 C ATOM 553 O GLU A 35 78.330 -12.154 -1.390 1.00 0.00 O ATOM 554 CB GLU A 35 76.020 -13.767 0.297 1.00 0.00 C ATOM 555 CG GLU A 35 76.729 -15.120 0.378 1.00 0.00 C ATOM 556 CD GLU A 35 76.543 -15.711 1.777 1.00 0.00 C ATOM 557 OE1 GLU A 35 76.422 -14.940 2.714 1.00 0.00 O ATOM 558 OE2 GLU A 35 76.523 -16.927 1.887 1.00 0.00 O ATOM 0 H GLU A 35 75.329 -11.797 1.518 1.00 0.00 H new ATOM 0 HA GLU A 35 77.964 -13.042 0.955 1.00 0.00 H new ATOM 0 HB2 GLU A 35 75.212 -13.724 1.027 1.00 0.00 H new ATOM 0 HB3 GLU A 35 75.568 -13.639 -0.687 1.00 0.00 H new ATOM 0 HG2 GLU A 35 76.325 -15.800 -0.372 1.00 0.00 H new ATOM 0 HG3 GLU A 35 77.790 -15.000 0.161 1.00 0.00 H new ATOM 565 N VAL A 36 76.526 -10.935 -1.072 1.00 0.00 N ATOM 566 CA VAL A 36 76.780 -10.138 -2.302 1.00 0.00 C ATOM 567 C VAL A 36 77.761 -9.015 -1.972 1.00 0.00 C ATOM 568 O VAL A 36 78.669 -8.723 -2.724 1.00 0.00 O ATOM 569 CB VAL A 36 75.414 -9.568 -2.693 1.00 0.00 C ATOM 570 CG1 VAL A 36 75.601 -8.357 -3.611 1.00 0.00 C ATOM 571 CG2 VAL A 36 74.606 -10.639 -3.428 1.00 0.00 C ATOM 0 H VAL A 36 75.688 -10.673 -0.552 1.00 0.00 H new ATOM 0 HA VAL A 36 77.212 -10.726 -3.112 1.00 0.00 H new ATOM 0 HB VAL A 36 74.883 -9.261 -1.792 1.00 0.00 H new ATOM 0 HG11 VAL A 36 74.626 -7.955 -3.886 1.00 0.00 H new ATOM 0 HG12 VAL A 36 76.175 -7.591 -3.090 1.00 0.00 H new ATOM 0 HG13 VAL A 36 76.135 -8.662 -4.511 1.00 0.00 H new ATOM 0 HG21 VAL A 36 73.633 -10.234 -3.707 1.00 0.00 H new ATOM 0 HG22 VAL A 36 75.142 -10.947 -4.326 1.00 0.00 H new ATOM 0 HG23 VAL A 36 74.466 -11.501 -2.776 1.00 0.00 H new ATOM 581 N PHE A 37 77.576 -8.383 -0.848 1.00 0.00 N ATOM 582 CA PHE A 37 78.478 -7.281 -0.453 1.00 0.00 C ATOM 583 C PHE A 37 79.486 -7.770 0.592 1.00 0.00 C ATOM 584 O PHE A 37 79.747 -7.106 1.575 1.00 0.00 O ATOM 585 CB PHE A 37 77.544 -6.237 0.146 1.00 0.00 C ATOM 586 CG PHE A 37 76.587 -5.744 -0.913 1.00 0.00 C ATOM 587 CD1 PHE A 37 77.023 -5.575 -2.233 1.00 0.00 C ATOM 588 CD2 PHE A 37 75.259 -5.457 -0.574 1.00 0.00 C ATOM 589 CE1 PHE A 37 76.133 -5.119 -3.212 1.00 0.00 C ATOM 590 CE2 PHE A 37 74.368 -5.003 -1.554 1.00 0.00 C ATOM 591 CZ PHE A 37 74.805 -4.834 -2.873 1.00 0.00 C ATOM 0 H PHE A 37 76.830 -8.589 -0.184 1.00 0.00 H new ATOM 0 HA PHE A 37 79.061 -6.889 -1.286 1.00 0.00 H new ATOM 0 HB2 PHE A 37 76.989 -6.667 0.980 1.00 0.00 H new ATOM 0 HB3 PHE A 37 78.122 -5.403 0.544 1.00 0.00 H new ATOM 0 HD1 PHE A 37 78.047 -5.797 -2.496 1.00 0.00 H new ATOM 0 HD2 PHE A 37 74.922 -5.586 0.444 1.00 0.00 H new ATOM 0 HE1 PHE A 37 76.471 -4.987 -4.229 1.00 0.00 H new ATOM 0 HE2 PHE A 37 73.344 -4.783 -1.292 1.00 0.00 H new ATOM 0 HZ PHE A 37 74.118 -4.484 -3.629 1.00 0.00 H new ATOM 601 N GLU A 38 80.048 -8.931 0.389 1.00 0.00 N ATOM 602 CA GLU A 38 81.034 -9.465 1.372 1.00 0.00 C ATOM 603 C GLU A 38 82.191 -8.479 1.561 1.00 0.00 C ATOM 604 O GLU A 38 82.953 -8.576 2.501 1.00 0.00 O ATOM 605 CB GLU A 38 81.538 -10.770 0.757 1.00 0.00 C ATOM 606 CG GLU A 38 81.233 -11.933 1.703 1.00 0.00 C ATOM 607 CD GLU A 38 82.448 -12.201 2.592 1.00 0.00 C ATOM 608 OE1 GLU A 38 83.509 -12.461 2.050 1.00 0.00 O ATOM 609 OE2 GLU A 38 82.298 -12.140 3.801 1.00 0.00 O ATOM 0 H GLU A 38 79.867 -9.533 -0.415 1.00 0.00 H new ATOM 0 HA GLU A 38 80.590 -9.620 2.355 1.00 0.00 H new ATOM 0 HB2 GLU A 38 81.060 -10.938 -0.208 1.00 0.00 H new ATOM 0 HB3 GLU A 38 82.611 -10.708 0.575 1.00 0.00 H new ATOM 0 HG2 GLU A 38 80.364 -11.697 2.318 1.00 0.00 H new ATOM 0 HG3 GLU A 38 80.985 -12.826 1.130 1.00 0.00 H new ATOM 616 N ASP A 39 82.328 -7.531 0.674 1.00 0.00 N ATOM 617 CA ASP A 39 83.438 -6.543 0.808 1.00 0.00 C ATOM 618 C ASP A 39 82.954 -5.305 1.565 1.00 0.00 C ATOM 619 O ASP A 39 83.558 -4.252 1.501 1.00 0.00 O ATOM 620 CB ASP A 39 83.818 -6.181 -0.628 1.00 0.00 C ATOM 621 CG ASP A 39 85.327 -6.350 -0.815 1.00 0.00 C ATOM 622 OD1 ASP A 39 86.059 -5.997 0.094 1.00 0.00 O ATOM 623 OD2 ASP A 39 85.724 -6.829 -1.863 1.00 0.00 O ATOM 0 H ASP A 39 81.722 -7.398 -0.135 1.00 0.00 H new ATOM 0 HA ASP A 39 84.285 -6.943 1.365 1.00 0.00 H new ATOM 0 HB2 ASP A 39 83.280 -6.819 -1.329 1.00 0.00 H new ATOM 0 HB3 ASP A 39 83.527 -5.153 -0.844 1.00 0.00 H new ATOM 628 N ALA A 40 81.870 -5.420 2.283 1.00 0.00 N ATOM 629 CA ALA A 40 81.353 -4.245 3.042 1.00 0.00 C ATOM 630 C ALA A 40 81.434 -4.509 4.549 1.00 0.00 C ATOM 631 O ALA A 40 81.630 -5.626 4.983 1.00 0.00 O ATOM 632 CB ALA A 40 79.896 -4.099 2.600 1.00 0.00 C ATOM 0 H ALA A 40 81.321 -6.274 2.377 1.00 0.00 H new ATOM 0 HA ALA A 40 81.931 -3.341 2.848 1.00 0.00 H new ATOM 0 HB1 ALA A 40 79.442 -3.253 3.116 1.00 0.00 H new ATOM 0 HB2 ALA A 40 79.857 -3.931 1.524 1.00 0.00 H new ATOM 0 HB3 ALA A 40 79.348 -5.009 2.845 1.00 0.00 H new ATOM 638 N LEU A 41 81.281 -3.488 5.349 1.00 0.00 N ATOM 639 CA LEU A 41 81.346 -3.682 6.824 1.00 0.00 C ATOM 640 C LEU A 41 80.018 -4.231 7.332 1.00 0.00 C ATOM 641 O LEU A 41 79.973 -5.076 8.203 1.00 0.00 O ATOM 642 CB LEU A 41 81.592 -2.295 7.437 1.00 0.00 C ATOM 643 CG LEU A 41 82.444 -1.434 6.504 1.00 0.00 C ATOM 644 CD1 LEU A 41 83.006 -0.244 7.283 1.00 0.00 C ATOM 645 CD2 LEU A 41 83.595 -2.270 5.945 1.00 0.00 C ATOM 0 H LEU A 41 81.114 -2.529 5.044 1.00 0.00 H new ATOM 0 HA LEU A 41 82.134 -4.385 7.094 1.00 0.00 H new ATOM 0 HB2 LEU A 41 80.639 -1.801 7.626 1.00 0.00 H new ATOM 0 HB3 LEU A 41 82.092 -2.401 8.400 1.00 0.00 H new ATOM 0 HG LEU A 41 81.829 -1.071 5.681 1.00 0.00 H new ATOM 0 HD11 LEU A 41 83.614 0.371 6.619 1.00 0.00 H new ATOM 0 HD12 LEU A 41 82.184 0.352 7.679 1.00 0.00 H new ATOM 0 HD13 LEU A 41 83.621 -0.606 8.107 1.00 0.00 H new ATOM 0 HD21 LEU A 41 84.202 -1.655 5.280 1.00 0.00 H new ATOM 0 HD22 LEU A 41 84.212 -2.634 6.766 1.00 0.00 H new ATOM 0 HD23 LEU A 41 83.193 -3.117 5.390 1.00 0.00 H new ATOM 657 N GLU A 42 78.933 -3.747 6.796 1.00 0.00 N ATOM 658 CA GLU A 42 77.598 -4.231 7.256 1.00 0.00 C ATOM 659 C GLU A 42 76.509 -3.875 6.241 1.00 0.00 C ATOM 660 O GLU A 42 76.711 -3.076 5.348 1.00 0.00 O ATOM 661 CB GLU A 42 77.351 -3.501 8.577 1.00 0.00 C ATOM 662 CG GLU A 42 78.023 -4.268 9.716 1.00 0.00 C ATOM 663 CD GLU A 42 77.077 -4.336 10.915 1.00 0.00 C ATOM 664 OE1 GLU A 42 76.299 -5.275 10.979 1.00 0.00 O ATOM 665 OE2 GLU A 42 77.143 -3.449 11.749 1.00 0.00 O ATOM 0 H GLU A 42 78.910 -3.040 6.062 1.00 0.00 H new ATOM 0 HA GLU A 42 77.576 -5.315 7.369 1.00 0.00 H new ATOM 0 HB2 GLU A 42 77.747 -2.487 8.524 1.00 0.00 H new ATOM 0 HB3 GLU A 42 76.280 -3.416 8.763 1.00 0.00 H new ATOM 0 HG2 GLU A 42 78.283 -5.274 9.387 1.00 0.00 H new ATOM 0 HG3 GLU A 42 78.953 -3.776 10.001 1.00 0.00 H new ATOM 672 N ILE A 43 75.354 -4.468 6.378 1.00 0.00 N ATOM 673 CA ILE A 43 74.242 -4.174 5.428 1.00 0.00 C ATOM 674 C ILE A 43 72.903 -4.129 6.171 1.00 0.00 C ATOM 675 O ILE A 43 72.713 -4.800 7.167 1.00 0.00 O ATOM 676 CB ILE A 43 74.251 -5.335 4.434 1.00 0.00 C ATOM 677 CG1 ILE A 43 75.544 -5.305 3.618 1.00 0.00 C ATOM 678 CG2 ILE A 43 73.053 -5.207 3.493 1.00 0.00 C ATOM 679 CD1 ILE A 43 75.740 -6.656 2.929 1.00 0.00 C ATOM 0 H ILE A 43 75.132 -5.145 7.108 1.00 0.00 H new ATOM 0 HA ILE A 43 74.370 -3.209 4.937 1.00 0.00 H new ATOM 0 HB ILE A 43 74.190 -6.277 4.979 1.00 0.00 H new ATOM 0 HG12 ILE A 43 75.500 -4.508 2.875 1.00 0.00 H new ATOM 0 HG13 ILE A 43 76.392 -5.089 4.268 1.00 0.00 H new ATOM 0 HG21 ILE A 43 73.058 -6.034 2.783 1.00 0.00 H new ATOM 0 HG22 ILE A 43 72.130 -5.232 4.073 1.00 0.00 H new ATOM 0 HG23 ILE A 43 73.115 -4.263 2.951 1.00 0.00 H new ATOM 0 HD11 ILE A 43 76.661 -6.637 2.347 1.00 0.00 H new ATOM 0 HD12 ILE A 43 75.802 -7.442 3.681 1.00 0.00 H new ATOM 0 HD13 ILE A 43 74.896 -6.853 2.267 1.00 0.00 H new ATOM 691 N ARG A 44 71.973 -3.352 5.690 1.00 0.00 N ATOM 692 CA ARG A 44 70.647 -3.268 6.356 1.00 0.00 C ATOM 693 C ARG A 44 69.543 -3.473 5.308 1.00 0.00 C ATOM 694 O ARG A 44 69.797 -3.477 4.120 1.00 0.00 O ATOM 695 CB ARG A 44 70.616 -1.855 6.967 1.00 0.00 C ATOM 696 CG ARG A 44 69.261 -1.187 6.724 1.00 0.00 C ATOM 697 CD ARG A 44 69.180 0.118 7.518 1.00 0.00 C ATOM 698 NE ARG A 44 67.724 0.349 7.728 1.00 0.00 N ATOM 699 CZ ARG A 44 67.317 1.416 8.358 1.00 0.00 C ATOM 700 NH1 ARG A 44 68.021 1.900 9.345 1.00 0.00 N ATOM 701 NH2 ARG A 44 66.204 2.000 8.003 1.00 0.00 N ATOM 0 H ARG A 44 72.077 -2.769 4.859 1.00 0.00 H new ATOM 0 HA ARG A 44 70.487 -4.027 7.121 1.00 0.00 H new ATOM 0 HB2 ARG A 44 70.811 -1.913 8.038 1.00 0.00 H new ATOM 0 HB3 ARG A 44 71.409 -1.248 6.531 1.00 0.00 H new ATOM 0 HG2 ARG A 44 69.129 -0.986 5.661 1.00 0.00 H new ATOM 0 HG3 ARG A 44 68.455 -1.857 7.024 1.00 0.00 H new ATOM 0 HD2 ARG A 44 69.708 0.036 8.468 1.00 0.00 H new ATOM 0 HD3 ARG A 44 69.636 0.943 6.970 1.00 0.00 H new ATOM 0 HE ARG A 44 67.045 -0.327 7.379 1.00 0.00 H new ATOM 0 HH11 ARG A 44 68.890 1.444 9.624 1.00 0.00 H new ATOM 0 HH12 ARG A 44 67.702 2.734 9.837 1.00 0.00 H new ATOM 0 HH21 ARG A 44 65.653 1.622 7.233 1.00 0.00 H new ATOM 0 HH22 ARG A 44 65.886 2.834 8.496 1.00 0.00 H new ATOM 715 N LEU A 45 68.323 -3.642 5.736 1.00 0.00 N ATOM 716 CA LEU A 45 67.217 -3.844 4.760 1.00 0.00 C ATOM 717 C LEU A 45 66.256 -2.655 4.803 1.00 0.00 C ATOM 718 O LEU A 45 66.280 -1.860 5.720 1.00 0.00 O ATOM 719 CB LEU A 45 66.512 -5.122 5.213 1.00 0.00 C ATOM 720 CG LEU A 45 65.625 -5.643 4.080 1.00 0.00 C ATOM 721 CD1 LEU A 45 66.451 -5.764 2.798 1.00 0.00 C ATOM 722 CD2 LEU A 45 65.071 -7.017 4.461 1.00 0.00 C ATOM 0 H LEU A 45 68.045 -3.649 6.717 1.00 0.00 H new ATOM 0 HA LEU A 45 67.580 -3.924 3.735 1.00 0.00 H new ATOM 0 HB2 LEU A 45 67.247 -5.877 5.490 1.00 0.00 H new ATOM 0 HB3 LEU A 45 65.909 -4.923 6.099 1.00 0.00 H new ATOM 0 HG LEU A 45 64.800 -4.950 3.915 1.00 0.00 H new ATOM 0 HD11 LEU A 45 65.819 -6.135 1.991 1.00 0.00 H new ATOM 0 HD12 LEU A 45 66.848 -4.786 2.527 1.00 0.00 H new ATOM 0 HD13 LEU A 45 67.276 -6.458 2.961 1.00 0.00 H new ATOM 0 HD21 LEU A 45 64.439 -7.390 3.656 1.00 0.00 H new ATOM 0 HD22 LEU A 45 65.897 -7.709 4.625 1.00 0.00 H new ATOM 0 HD23 LEU A 45 64.482 -6.931 5.374 1.00 0.00 H new ATOM 734 N VAL A 46 65.413 -2.527 3.817 1.00 0.00 N ATOM 735 CA VAL A 46 64.459 -1.385 3.806 1.00 0.00 C ATOM 736 C VAL A 46 63.234 -1.710 2.942 1.00 0.00 C ATOM 737 O VAL A 46 63.346 -2.190 1.823 1.00 0.00 O ATOM 738 CB VAL A 46 65.248 -0.219 3.213 1.00 0.00 C ATOM 739 CG1 VAL A 46 64.301 0.946 2.927 1.00 0.00 C ATOM 740 CG2 VAL A 46 66.318 0.224 4.213 1.00 0.00 C ATOM 0 H VAL A 46 65.344 -3.161 3.021 1.00 0.00 H new ATOM 0 HA VAL A 46 64.080 -1.157 4.802 1.00 0.00 H new ATOM 0 HB VAL A 46 65.723 -0.533 2.284 1.00 0.00 H new ATOM 0 HG11 VAL A 46 64.865 1.778 2.504 1.00 0.00 H new ATOM 0 HG12 VAL A 46 63.536 0.628 2.218 1.00 0.00 H new ATOM 0 HG13 VAL A 46 63.826 1.265 3.855 1.00 0.00 H new ATOM 0 HG21 VAL A 46 66.884 1.056 3.795 1.00 0.00 H new ATOM 0 HG22 VAL A 46 65.841 0.540 5.141 1.00 0.00 H new ATOM 0 HG23 VAL A 46 66.992 -0.608 4.417 1.00 0.00 H new ATOM 750 N SER A 47 62.065 -1.451 3.468 1.00 0.00 N ATOM 751 CA SER A 47 60.811 -1.734 2.714 1.00 0.00 C ATOM 752 C SER A 47 59.996 -0.450 2.539 1.00 0.00 C ATOM 753 O SER A 47 60.509 0.644 2.662 1.00 0.00 O ATOM 754 CB SER A 47 60.054 -2.734 3.586 1.00 0.00 C ATOM 755 OG SER A 47 59.249 -2.026 4.519 1.00 0.00 O ATOM 0 H SER A 47 61.926 -1.052 4.396 1.00 0.00 H new ATOM 0 HA SER A 47 61.005 -2.123 1.714 1.00 0.00 H new ATOM 0 HB2 SER A 47 59.431 -3.377 2.965 1.00 0.00 H new ATOM 0 HB3 SER A 47 60.756 -3.381 4.111 1.00 0.00 H new ATOM 0 HG SER A 47 58.760 -2.664 5.080 1.00 0.00 H new ATOM 761 N GLN A 48 58.730 -0.577 2.253 1.00 0.00 N ATOM 762 CA GLN A 48 57.881 0.636 2.071 1.00 0.00 C ATOM 763 C GLN A 48 57.374 1.133 3.428 1.00 0.00 C ATOM 764 O GLN A 48 58.082 1.103 4.414 1.00 0.00 O ATOM 765 CB GLN A 48 56.714 0.172 1.198 1.00 0.00 C ATOM 766 CG GLN A 48 56.305 1.301 0.250 1.00 0.00 C ATOM 767 CD GLN A 48 55.256 0.783 -0.736 1.00 0.00 C ATOM 768 OE1 GLN A 48 54.075 0.806 -0.451 1.00 0.00 O ATOM 769 NE2 GLN A 48 55.639 0.314 -1.892 1.00 0.00 N ATOM 0 H GLN A 48 58.246 -1.467 2.137 1.00 0.00 H new ATOM 0 HA GLN A 48 58.428 1.461 1.615 1.00 0.00 H new ATOM 0 HB2 GLN A 48 57.002 -0.710 0.627 1.00 0.00 H new ATOM 0 HB3 GLN A 48 55.869 -0.115 1.824 1.00 0.00 H new ATOM 0 HG2 GLN A 48 55.903 2.140 0.818 1.00 0.00 H new ATOM 0 HG3 GLN A 48 57.177 1.671 -0.290 1.00 0.00 H new ATOM 0 HE21 GLN A 48 56.630 0.295 -2.131 1.00 0.00 H new ATOM 0 HE22 GLN A 48 54.947 -0.033 -2.556 1.00 0.00 H new ATOM 778 N ASP A 49 56.152 1.590 3.484 1.00 0.00 N ATOM 779 CA ASP A 49 55.602 2.086 4.777 1.00 0.00 C ATOM 780 C ASP A 49 55.235 0.908 5.682 1.00 0.00 C ATOM 781 O ASP A 49 54.892 1.080 6.835 1.00 0.00 O ATOM 782 CB ASP A 49 54.352 2.882 4.397 1.00 0.00 C ATOM 783 CG ASP A 49 54.606 4.373 4.626 1.00 0.00 C ATOM 784 OD1 ASP A 49 55.751 4.732 4.841 1.00 0.00 O ATOM 785 OD2 ASP A 49 53.651 5.130 4.582 1.00 0.00 O ATOM 0 H ASP A 49 55.512 1.641 2.691 1.00 0.00 H new ATOM 0 HA ASP A 49 56.321 2.695 5.325 1.00 0.00 H new ATOM 0 HB2 ASP A 49 54.097 2.702 3.353 1.00 0.00 H new ATOM 0 HB3 ASP A 49 53.502 2.551 4.994 1.00 0.00 H new ATOM 790 N GLY A 50 55.303 -0.290 5.168 1.00 0.00 N ATOM 791 CA GLY A 50 54.958 -1.479 5.998 1.00 0.00 C ATOM 792 C GLY A 50 54.886 -2.720 5.107 1.00 0.00 C ATOM 793 O GLY A 50 53.925 -3.464 5.138 1.00 0.00 O ATOM 0 H GLY A 50 55.583 -0.497 4.209 1.00 0.00 H new ATOM 0 HA2 GLY A 50 55.706 -1.621 6.778 1.00 0.00 H new ATOM 0 HA3 GLY A 50 54.002 -1.322 6.498 1.00 0.00 H new ATOM 797 N LYS A 51 55.895 -2.950 4.312 1.00 0.00 N ATOM 798 CA LYS A 51 55.885 -4.142 3.418 1.00 0.00 C ATOM 799 C LYS A 51 57.181 -4.187 2.611 1.00 0.00 C ATOM 800 O LYS A 51 57.581 -3.207 2.016 1.00 0.00 O ATOM 801 CB LYS A 51 54.683 -3.938 2.495 1.00 0.00 C ATOM 802 CG LYS A 51 54.793 -4.883 1.297 1.00 0.00 C ATOM 803 CD LYS A 51 53.652 -4.601 0.317 1.00 0.00 C ATOM 804 CE LYS A 51 53.859 -5.421 -0.958 1.00 0.00 C ATOM 805 NZ LYS A 51 52.583 -5.286 -1.713 1.00 0.00 N ATOM 0 H LYS A 51 56.727 -2.363 4.243 1.00 0.00 H new ATOM 0 HA LYS A 51 55.813 -5.079 3.970 1.00 0.00 H new ATOM 0 HB2 LYS A 51 53.757 -4.129 3.038 1.00 0.00 H new ATOM 0 HB3 LYS A 51 54.645 -2.904 2.153 1.00 0.00 H new ATOM 0 HG2 LYS A 51 55.754 -4.748 0.801 1.00 0.00 H new ATOM 0 HG3 LYS A 51 54.750 -5.919 1.633 1.00 0.00 H new ATOM 0 HD2 LYS A 51 52.695 -4.855 0.774 1.00 0.00 H new ATOM 0 HD3 LYS A 51 53.619 -3.538 0.077 1.00 0.00 H new ATOM 0 HE2 LYS A 51 54.702 -5.044 -1.537 1.00 0.00 H new ATOM 0 HE3 LYS A 51 54.072 -6.465 -0.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 52.647 -5.822 -2.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 51.799 -5.659 -1.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 52.410 -4.283 -1.926 1.00 0.00 H new ATOM 819 N SER A 52 57.842 -5.315 2.593 1.00 0.00 N ATOM 820 CA SER A 52 59.118 -5.422 1.830 1.00 0.00 C ATOM 821 C SER A 52 59.011 -4.663 0.508 1.00 0.00 C ATOM 822 O SER A 52 58.067 -4.818 -0.240 1.00 0.00 O ATOM 823 CB SER A 52 59.307 -6.912 1.577 1.00 0.00 C ATOM 824 OG SER A 52 60.690 -7.231 1.656 1.00 0.00 O ATOM 0 H SER A 52 57.552 -6.166 3.074 1.00 0.00 H new ATOM 0 HA SER A 52 59.959 -4.992 2.374 1.00 0.00 H new ATOM 0 HB2 SER A 52 58.746 -7.491 2.311 1.00 0.00 H new ATOM 0 HB3 SER A 52 58.916 -7.178 0.595 1.00 0.00 H new ATOM 0 HG SER A 52 60.795 -8.192 1.816 1.00 0.00 H new ATOM 830 N LYS A 53 59.976 -3.843 0.220 1.00 0.00 N ATOM 831 CA LYS A 53 59.947 -3.065 -1.050 1.00 0.00 C ATOM 832 C LYS A 53 61.182 -3.393 -1.884 1.00 0.00 C ATOM 833 O LYS A 53 61.259 -3.082 -3.056 1.00 0.00 O ATOM 834 CB LYS A 53 59.961 -1.598 -0.620 1.00 0.00 C ATOM 835 CG LYS A 53 59.390 -0.730 -1.743 1.00 0.00 C ATOM 836 CD LYS A 53 60.375 0.394 -2.071 1.00 0.00 C ATOM 837 CE LYS A 53 59.861 1.713 -1.490 1.00 0.00 C ATOM 838 NZ LYS A 53 60.641 2.772 -2.188 1.00 0.00 N ATOM 0 H LYS A 53 60.790 -3.675 0.811 1.00 0.00 H new ATOM 0 HA LYS A 53 59.075 -3.296 -1.661 1.00 0.00 H new ATOM 0 HB2 LYS A 53 59.373 -1.469 0.288 1.00 0.00 H new ATOM 0 HB3 LYS A 53 60.979 -1.286 -0.387 1.00 0.00 H new ATOM 0 HG2 LYS A 53 59.207 -1.338 -2.629 1.00 0.00 H new ATOM 0 HG3 LYS A 53 58.431 -0.310 -1.441 1.00 0.00 H new ATOM 0 HD2 LYS A 53 61.357 0.162 -1.659 1.00 0.00 H new ATOM 0 HD3 LYS A 53 60.495 0.483 -3.151 1.00 0.00 H new ATOM 0 HE2 LYS A 53 58.792 1.831 -1.665 1.00 0.00 H new ATOM 0 HE3 LYS A 53 60.015 1.756 -0.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 60.344 3.707 -1.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 61.655 2.639 -1.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 60.470 2.711 -3.212 1.00 0.00 H new ATOM 852 N GLY A 54 62.151 -4.028 -1.285 1.00 0.00 N ATOM 853 CA GLY A 54 63.381 -4.387 -2.035 1.00 0.00 C ATOM 854 C GLY A 54 64.463 -3.333 -1.793 1.00 0.00 C ATOM 855 O GLY A 54 65.316 -3.112 -2.631 1.00 0.00 O ATOM 0 H GLY A 54 62.141 -4.313 -0.306 1.00 0.00 H new ATOM 0 HA2 GLY A 54 63.738 -5.367 -1.718 1.00 0.00 H new ATOM 0 HA3 GLY A 54 63.161 -4.457 -3.100 1.00 0.00 H new ATOM 859 N ILE A 55 64.452 -2.681 -0.659 1.00 0.00 N ATOM 860 CA ILE A 55 65.499 -1.655 -0.398 1.00 0.00 C ATOM 861 C ILE A 55 66.408 -2.123 0.741 1.00 0.00 C ATOM 862 O ILE A 55 66.032 -2.957 1.538 1.00 0.00 O ATOM 863 CB ILE A 55 64.733 -0.393 0.003 1.00 0.00 C ATOM 864 CG1 ILE A 55 63.543 -0.193 -0.939 1.00 0.00 C ATOM 865 CG2 ILE A 55 65.663 0.817 -0.094 1.00 0.00 C ATOM 866 CD1 ILE A 55 64.052 0.160 -2.336 1.00 0.00 C ATOM 0 H ILE A 55 63.771 -2.814 0.088 1.00 0.00 H new ATOM 0 HA ILE A 55 66.135 -1.478 -1.265 1.00 0.00 H new ATOM 0 HB ILE A 55 64.372 -0.498 1.026 1.00 0.00 H new ATOM 0 HG12 ILE A 55 62.940 -1.100 -0.979 1.00 0.00 H new ATOM 0 HG13 ILE A 55 62.898 0.602 -0.564 1.00 0.00 H new ATOM 0 HG21 ILE A 55 65.119 1.718 0.191 1.00 0.00 H new ATOM 0 HG22 ILE A 55 66.512 0.678 0.576 1.00 0.00 H new ATOM 0 HG23 ILE A 55 66.022 0.919 -1.118 1.00 0.00 H new ATOM 0 HD11 ILE A 55 63.205 0.302 -3.007 1.00 0.00 H new ATOM 0 HD12 ILE A 55 64.636 1.079 -2.289 1.00 0.00 H new ATOM 0 HD13 ILE A 55 64.679 -0.649 -2.710 1.00 0.00 H new ATOM 878 N ALA A 56 67.603 -1.603 0.824 1.00 0.00 N ATOM 879 CA ALA A 56 68.521 -2.034 1.918 1.00 0.00 C ATOM 880 C ALA A 56 69.709 -1.072 2.023 1.00 0.00 C ATOM 881 O ALA A 56 70.026 -0.360 1.093 1.00 0.00 O ATOM 882 CB ALA A 56 68.998 -3.427 1.506 1.00 0.00 C ATOM 0 H ALA A 56 67.982 -0.903 0.186 1.00 0.00 H new ATOM 0 HA ALA A 56 68.030 -2.040 2.891 1.00 0.00 H new ATOM 0 HB1 ALA A 56 69.680 -3.816 2.262 1.00 0.00 H new ATOM 0 HB2 ALA A 56 68.140 -4.093 1.414 1.00 0.00 H new ATOM 0 HB3 ALA A 56 69.514 -3.366 0.548 1.00 0.00 H new ATOM 888 N TYR A 57 70.374 -1.051 3.146 1.00 0.00 N ATOM 889 CA TYR A 57 71.548 -0.143 3.299 1.00 0.00 C ATOM 890 C TYR A 57 72.837 -0.965 3.274 1.00 0.00 C ATOM 891 O TYR A 57 72.885 -2.072 3.775 1.00 0.00 O ATOM 892 CB TYR A 57 71.365 0.535 4.657 1.00 0.00 C ATOM 893 CG TYR A 57 70.782 1.913 4.456 1.00 0.00 C ATOM 894 CD1 TYR A 57 71.600 2.961 4.016 1.00 0.00 C ATOM 895 CD2 TYR A 57 69.425 2.144 4.709 1.00 0.00 C ATOM 896 CE1 TYR A 57 71.061 4.239 3.830 1.00 0.00 C ATOM 897 CE2 TYR A 57 68.885 3.422 4.522 1.00 0.00 C ATOM 898 CZ TYR A 57 69.704 4.470 4.082 1.00 0.00 C ATOM 899 OH TYR A 57 69.171 5.730 3.899 1.00 0.00 O ATOM 0 H TYR A 57 70.156 -1.622 3.963 1.00 0.00 H new ATOM 0 HA TYR A 57 71.614 0.591 2.496 1.00 0.00 H new ATOM 0 HB2 TYR A 57 70.706 -0.062 5.288 1.00 0.00 H new ATOM 0 HB3 TYR A 57 72.323 0.605 5.173 1.00 0.00 H new ATOM 0 HD1 TYR A 57 72.647 2.783 3.820 1.00 0.00 H new ATOM 0 HD2 TYR A 57 68.794 1.336 5.049 1.00 0.00 H new ATOM 0 HE1 TYR A 57 71.692 5.047 3.492 1.00 0.00 H new ATOM 0 HE2 TYR A 57 67.838 3.600 4.717 1.00 0.00 H new ATOM 0 HH TYR A 57 68.216 5.716 4.118 1.00 0.00 H new ATOM 909 N ILE A 58 73.878 -0.446 2.686 1.00 0.00 N ATOM 910 CA ILE A 58 75.152 -1.219 2.624 1.00 0.00 C ATOM 911 C ILE A 58 76.342 -0.321 2.982 1.00 0.00 C ATOM 912 O ILE A 58 76.626 0.645 2.304 1.00 0.00 O ATOM 913 CB ILE A 58 75.262 -1.698 1.170 1.00 0.00 C ATOM 914 CG1 ILE A 58 73.876 -2.059 0.627 1.00 0.00 C ATOM 915 CG2 ILE A 58 76.161 -2.932 1.106 1.00 0.00 C ATOM 916 CD1 ILE A 58 73.265 -3.170 1.481 1.00 0.00 C ATOM 0 H ILE A 58 73.904 0.475 2.248 1.00 0.00 H new ATOM 0 HA ILE A 58 75.159 -2.050 3.329 1.00 0.00 H new ATOM 0 HB ILE A 58 75.688 -0.897 0.566 1.00 0.00 H new ATOM 0 HG12 ILE A 58 73.230 -1.181 0.638 1.00 0.00 H new ATOM 0 HG13 ILE A 58 73.954 -2.385 -0.410 1.00 0.00 H new ATOM 0 HG21 ILE A 58 76.239 -3.272 0.073 1.00 0.00 H new ATOM 0 HG22 ILE A 58 77.153 -2.679 1.481 1.00 0.00 H new ATOM 0 HG23 ILE A 58 75.733 -3.726 1.718 1.00 0.00 H new ATOM 0 HD11 ILE A 58 72.279 -3.426 1.094 1.00 0.00 H new ATOM 0 HD12 ILE A 58 73.908 -4.050 1.448 1.00 0.00 H new ATOM 0 HD13 ILE A 58 73.172 -2.827 2.512 1.00 0.00 H new ATOM 928 N GLU A 59 77.044 -0.639 4.038 1.00 0.00 N ATOM 929 CA GLU A 59 78.222 0.194 4.434 1.00 0.00 C ATOM 930 C GLU A 59 79.511 -0.543 4.070 1.00 0.00 C ATOM 931 O GLU A 59 79.624 -1.736 4.266 1.00 0.00 O ATOM 932 CB GLU A 59 78.140 0.374 5.960 1.00 0.00 C ATOM 933 CG GLU A 59 76.705 0.172 6.462 1.00 0.00 C ATOM 934 CD GLU A 59 75.754 1.074 5.675 1.00 0.00 C ATOM 935 OE1 GLU A 59 76.224 1.773 4.792 1.00 0.00 O ATOM 936 OE2 GLU A 59 74.569 1.050 5.967 1.00 0.00 O ATOM 0 H GLU A 59 76.854 -1.438 4.643 1.00 0.00 H new ATOM 0 HA GLU A 59 78.219 1.157 3.923 1.00 0.00 H new ATOM 0 HB2 GLU A 59 78.804 -0.338 6.450 1.00 0.00 H new ATOM 0 HB3 GLU A 59 78.487 1.371 6.231 1.00 0.00 H new ATOM 0 HG2 GLU A 59 76.412 -0.871 6.346 1.00 0.00 H new ATOM 0 HG3 GLU A 59 76.645 0.403 7.525 1.00 0.00 H new ATOM 943 N PHE A 60 80.488 0.144 3.543 1.00 0.00 N ATOM 944 CA PHE A 60 81.751 -0.553 3.183 1.00 0.00 C ATOM 945 C PHE A 60 82.926 0.008 3.978 1.00 0.00 C ATOM 946 O PHE A 60 82.804 0.976 4.702 1.00 0.00 O ATOM 947 CB PHE A 60 81.953 -0.292 1.695 1.00 0.00 C ATOM 948 CG PHE A 60 80.872 -0.991 0.910 1.00 0.00 C ATOM 949 CD1 PHE A 60 79.549 -0.547 0.993 1.00 0.00 C ATOM 950 CD2 PHE A 60 81.195 -2.085 0.100 1.00 0.00 C ATOM 951 CE1 PHE A 60 78.546 -1.199 0.266 1.00 0.00 C ATOM 952 CE2 PHE A 60 80.192 -2.738 -0.627 1.00 0.00 C ATOM 953 CZ PHE A 60 78.867 -2.294 -0.544 1.00 0.00 C ATOM 0 H PHE A 60 80.466 1.145 3.349 1.00 0.00 H new ATOM 0 HA PHE A 60 81.695 -1.618 3.408 1.00 0.00 H new ATOM 0 HB2 PHE A 60 81.927 0.779 1.496 1.00 0.00 H new ATOM 0 HB3 PHE A 60 82.934 -0.650 1.382 1.00 0.00 H new ATOM 0 HD1 PHE A 60 79.301 0.298 1.618 1.00 0.00 H new ATOM 0 HD2 PHE A 60 82.218 -2.426 0.035 1.00 0.00 H new ATOM 0 HE1 PHE A 60 77.524 -0.857 0.330 1.00 0.00 H new ATOM 0 HE2 PHE A 60 80.440 -3.584 -1.251 1.00 0.00 H new ATOM 0 HZ PHE A 60 78.093 -2.796 -1.105 1.00 0.00 H new ATOM 963 N LYS A 61 84.062 -0.604 3.840 1.00 0.00 N ATOM 964 CA LYS A 61 85.269 -0.131 4.578 1.00 0.00 C ATOM 965 C LYS A 61 85.892 1.064 3.859 1.00 0.00 C ATOM 966 O LYS A 61 86.644 1.826 4.435 1.00 0.00 O ATOM 967 CB LYS A 61 86.230 -1.321 4.569 1.00 0.00 C ATOM 968 CG LYS A 61 87.096 -1.288 5.830 1.00 0.00 C ATOM 969 CD LYS A 61 88.506 -1.777 5.495 1.00 0.00 C ATOM 970 CE LYS A 61 89.193 -2.273 6.769 1.00 0.00 C ATOM 971 NZ LYS A 61 89.180 -1.104 7.692 1.00 0.00 N ATOM 0 H LYS A 61 84.212 -1.418 3.244 1.00 0.00 H new ATOM 0 HA LYS A 61 85.032 0.195 5.591 1.00 0.00 H new ATOM 0 HB2 LYS A 61 85.669 -2.255 4.525 1.00 0.00 H new ATOM 0 HB3 LYS A 61 86.861 -1.286 3.681 1.00 0.00 H new ATOM 0 HG2 LYS A 61 87.137 -0.275 6.229 1.00 0.00 H new ATOM 0 HG3 LYS A 61 86.655 -1.918 6.603 1.00 0.00 H new ATOM 0 HD2 LYS A 61 88.458 -2.580 4.759 1.00 0.00 H new ATOM 0 HD3 LYS A 61 89.085 -0.969 5.048 1.00 0.00 H new ATOM 0 HE2 LYS A 61 88.662 -3.122 7.199 1.00 0.00 H new ATOM 0 HE3 LYS A 61 90.211 -2.604 6.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 89.937 -1.210 8.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 89.333 -0.231 7.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 88.261 -1.054 8.176 1.00 0.00 H new ATOM 985 N SER A 62 85.587 1.236 2.603 1.00 0.00 N ATOM 986 CA SER A 62 86.167 2.383 1.850 1.00 0.00 C ATOM 987 C SER A 62 85.535 2.489 0.460 1.00 0.00 C ATOM 988 O SER A 62 84.774 1.635 0.039 1.00 0.00 O ATOM 989 CB SER A 62 87.657 2.068 1.738 1.00 0.00 C ATOM 990 OG SER A 62 87.845 0.660 1.787 1.00 0.00 O ATOM 0 H SER A 62 84.963 0.634 2.066 1.00 0.00 H new ATOM 0 HA SER A 62 85.985 3.335 2.349 1.00 0.00 H new ATOM 0 HB2 SER A 62 88.056 2.467 0.805 1.00 0.00 H new ATOM 0 HB3 SER A 62 88.204 2.548 2.550 1.00 0.00 H new ATOM 0 HG SER A 62 87.522 0.258 0.954 1.00 0.00 H new ATOM 996 N GLU A 63 85.849 3.535 -0.254 1.00 0.00 N ATOM 997 CA GLU A 63 85.277 3.709 -1.617 1.00 0.00 C ATOM 998 C GLU A 63 85.653 2.522 -2.503 1.00 0.00 C ATOM 999 O GLU A 63 84.869 2.069 -3.312 1.00 0.00 O ATOM 1000 CB GLU A 63 85.909 4.996 -2.149 1.00 0.00 C ATOM 1001 CG GLU A 63 85.421 5.255 -3.576 1.00 0.00 C ATOM 1002 CD GLU A 63 86.621 5.312 -4.523 1.00 0.00 C ATOM 1003 OE1 GLU A 63 87.337 6.299 -4.481 1.00 0.00 O ATOM 1004 OE2 GLU A 63 86.802 4.368 -5.275 1.00 0.00 O ATOM 0 H GLU A 63 86.479 4.278 0.049 1.00 0.00 H new ATOM 0 HA GLU A 63 84.188 3.763 -1.605 1.00 0.00 H new ATOM 0 HB2 GLU A 63 85.646 5.836 -1.506 1.00 0.00 H new ATOM 0 HB3 GLU A 63 86.996 4.912 -2.135 1.00 0.00 H new ATOM 0 HG2 GLU A 63 84.736 4.466 -3.886 1.00 0.00 H new ATOM 0 HG3 GLU A 63 84.867 6.193 -3.618 1.00 0.00 H new ATOM 1011 N ALA A 64 86.844 2.012 -2.360 1.00 0.00 N ATOM 1012 CA ALA A 64 87.258 0.856 -3.198 1.00 0.00 C ATOM 1013 C ALA A 64 86.328 -0.323 -2.940 1.00 0.00 C ATOM 1014 O ALA A 64 85.932 -1.024 -3.848 1.00 0.00 O ATOM 1015 CB ALA A 64 88.686 0.531 -2.759 1.00 0.00 C ATOM 0 H ALA A 64 87.547 2.346 -1.700 1.00 0.00 H new ATOM 0 HA ALA A 64 87.211 1.074 -4.265 1.00 0.00 H new ATOM 0 HB1 ALA A 64 89.060 -0.315 -3.336 1.00 0.00 H new ATOM 0 HB2 ALA A 64 89.325 1.397 -2.929 1.00 0.00 H new ATOM 0 HB3 ALA A 64 88.692 0.279 -1.699 1.00 0.00 H new ATOM 1021 N ASP A 65 85.957 -0.533 -1.710 1.00 0.00 N ATOM 1022 CA ASP A 65 85.029 -1.654 -1.407 1.00 0.00 C ATOM 1023 C ASP A 65 83.652 -1.301 -1.959 1.00 0.00 C ATOM 1024 O ASP A 65 83.093 -2.008 -2.781 1.00 0.00 O ATOM 1025 CB ASP A 65 84.996 -1.749 0.119 1.00 0.00 C ATOM 1026 CG ASP A 65 86.365 -2.199 0.633 1.00 0.00 C ATOM 1027 OD1 ASP A 65 87.352 -1.868 -0.003 1.00 0.00 O ATOM 1028 OD2 ASP A 65 86.402 -2.866 1.654 1.00 0.00 O ATOM 0 H ASP A 65 86.254 0.020 -0.906 1.00 0.00 H new ATOM 0 HA ASP A 65 85.337 -2.601 -1.850 1.00 0.00 H new ATOM 0 HB2 ASP A 65 84.735 -0.782 0.548 1.00 0.00 H new ATOM 0 HB3 ASP A 65 84.228 -2.455 0.433 1.00 0.00 H new ATOM 1033 N ALA A 66 83.112 -0.194 -1.531 1.00 0.00 N ATOM 1034 CA ALA A 66 81.781 0.226 -2.044 1.00 0.00 C ATOM 1035 C ALA A 66 81.842 0.362 -3.566 1.00 0.00 C ATOM 1036 O ALA A 66 80.882 0.097 -4.259 1.00 0.00 O ATOM 1037 CB ALA A 66 81.510 1.581 -1.394 1.00 0.00 C ATOM 0 H ALA A 66 83.535 0.436 -0.849 1.00 0.00 H new ATOM 0 HA ALA A 66 80.996 -0.493 -1.811 1.00 0.00 H new ATOM 0 HB1 ALA A 66 80.542 1.956 -1.726 1.00 0.00 H new ATOM 0 HB2 ALA A 66 81.504 1.470 -0.310 1.00 0.00 H new ATOM 0 HB3 ALA A 66 82.290 2.285 -1.682 1.00 0.00 H new ATOM 1043 N GLU A 67 82.970 0.768 -4.094 1.00 0.00 N ATOM 1044 CA GLU A 67 83.089 0.911 -5.571 1.00 0.00 C ATOM 1045 C GLU A 67 83.321 -0.459 -6.209 1.00 0.00 C ATOM 1046 O GLU A 67 82.632 -0.851 -7.133 1.00 0.00 O ATOM 1047 CB GLU A 67 84.299 1.818 -5.792 1.00 0.00 C ATOM 1048 CG GLU A 67 84.508 2.036 -7.291 1.00 0.00 C ATOM 1049 CD GLU A 67 83.760 3.295 -7.733 1.00 0.00 C ATOM 1050 OE1 GLU A 67 83.880 4.302 -7.054 1.00 0.00 O ATOM 1051 OE2 GLU A 67 83.079 3.232 -8.744 1.00 0.00 O ATOM 0 H GLU A 67 83.809 1.005 -3.565 1.00 0.00 H new ATOM 0 HA GLU A 67 82.187 1.327 -6.020 1.00 0.00 H new ATOM 0 HB2 GLU A 67 84.145 2.775 -5.293 1.00 0.00 H new ATOM 0 HB3 GLU A 67 85.189 1.368 -5.352 1.00 0.00 H new ATOM 0 HG2 GLU A 67 85.571 2.136 -7.510 1.00 0.00 H new ATOM 0 HG3 GLU A 67 84.148 1.172 -7.849 1.00 0.00 H new ATOM 1058 N LYS A 68 84.274 -1.200 -5.712 1.00 0.00 N ATOM 1059 CA LYS A 68 84.531 -2.548 -6.283 1.00 0.00 C ATOM 1060 C LYS A 68 83.214 -3.311 -6.329 1.00 0.00 C ATOM 1061 O LYS A 68 82.945 -4.065 -7.242 1.00 0.00 O ATOM 1062 CB LYS A 68 85.515 -3.217 -5.323 1.00 0.00 C ATOM 1063 CG LYS A 68 85.963 -4.560 -5.904 1.00 0.00 C ATOM 1064 CD LYS A 68 84.971 -5.649 -5.497 1.00 0.00 C ATOM 1065 CE LYS A 68 85.564 -7.024 -5.811 1.00 0.00 C ATOM 1066 NZ LYS A 68 85.038 -7.923 -4.746 1.00 0.00 N ATOM 0 H LYS A 68 84.882 -0.930 -4.939 1.00 0.00 H new ATOM 0 HA LYS A 68 84.937 -2.515 -7.294 1.00 0.00 H new ATOM 0 HB2 LYS A 68 86.379 -2.572 -5.163 1.00 0.00 H new ATOM 0 HB3 LYS A 68 85.045 -3.368 -4.351 1.00 0.00 H new ATOM 0 HG2 LYS A 68 86.023 -4.496 -6.990 1.00 0.00 H new ATOM 0 HG3 LYS A 68 86.961 -4.809 -5.543 1.00 0.00 H new ATOM 0 HD2 LYS A 68 84.747 -5.572 -4.433 1.00 0.00 H new ATOM 0 HD3 LYS A 68 84.030 -5.517 -6.031 1.00 0.00 H new ATOM 0 HE2 LYS A 68 85.263 -7.367 -6.801 1.00 0.00 H new ATOM 0 HE3 LYS A 68 86.654 -6.996 -5.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 85.455 -8.870 -4.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 85.288 -7.539 -3.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 84.003 -7.989 -4.827 1.00 0.00 H new ATOM 1080 N ASN A 69 82.381 -3.100 -5.348 1.00 0.00 N ATOM 1081 CA ASN A 69 81.067 -3.791 -5.331 1.00 0.00 C ATOM 1082 C ASN A 69 80.113 -3.105 -6.315 1.00 0.00 C ATOM 1083 O ASN A 69 79.539 -3.734 -7.179 1.00 0.00 O ATOM 1084 CB ASN A 69 80.568 -3.644 -3.896 1.00 0.00 C ATOM 1085 CG ASN A 69 80.900 -4.914 -3.111 1.00 0.00 C ATOM 1086 OD1 ASN A 69 80.102 -5.382 -2.324 1.00 0.00 O ATOM 1087 ND2 ASN A 69 82.054 -5.494 -3.295 1.00 0.00 N ATOM 0 H ASN A 69 82.556 -2.478 -4.558 1.00 0.00 H new ATOM 0 HA ASN A 69 81.134 -4.838 -5.628 1.00 0.00 H new ATOM 0 HB2 ASN A 69 81.034 -2.779 -3.424 1.00 0.00 H new ATOM 0 HB3 ASN A 69 79.492 -3.470 -3.889 1.00 0.00 H new ATOM 0 HD21 ASN A 69 82.287 -6.342 -2.778 1.00 0.00 H new ATOM 0 HD22 ASN A 69 82.723 -5.100 -3.956 1.00 0.00 H new ATOM 1094 N LEU A 70 79.950 -1.816 -6.198 1.00 0.00 N ATOM 1095 CA LEU A 70 79.039 -1.096 -7.136 1.00 0.00 C ATOM 1096 C LEU A 70 79.372 -1.476 -8.580 1.00 0.00 C ATOM 1097 O LEU A 70 78.526 -1.444 -9.452 1.00 0.00 O ATOM 1098 CB LEU A 70 79.311 0.389 -6.899 1.00 0.00 C ATOM 1099 CG LEU A 70 78.017 1.091 -6.481 1.00 0.00 C ATOM 1100 CD1 LEU A 70 76.976 0.946 -7.592 1.00 0.00 C ATOM 1101 CD2 LEU A 70 77.483 0.453 -5.195 1.00 0.00 C ATOM 0 H LEU A 70 80.405 -1.231 -5.497 1.00 0.00 H new ATOM 0 HA LEU A 70 77.992 -1.347 -6.969 1.00 0.00 H new ATOM 0 HB2 LEU A 70 80.068 0.511 -6.125 1.00 0.00 H new ATOM 0 HB3 LEU A 70 79.707 0.845 -7.806 1.00 0.00 H new ATOM 0 HG LEU A 70 78.217 2.148 -6.307 1.00 0.00 H new ATOM 0 HD11 LEU A 70 76.054 1.446 -7.294 1.00 0.00 H new ATOM 0 HD12 LEU A 70 77.356 1.400 -8.508 1.00 0.00 H new ATOM 0 HD13 LEU A 70 76.775 -0.111 -7.767 1.00 0.00 H new ATOM 0 HD21 LEU A 70 76.561 0.952 -4.897 1.00 0.00 H new ATOM 0 HD22 LEU A 70 77.283 -0.604 -5.369 1.00 0.00 H new ATOM 0 HD23 LEU A 70 78.224 0.556 -4.403 1.00 0.00 H new ATOM 1113 N GLU A 71 80.600 -1.830 -8.839 1.00 0.00 N ATOM 1114 CA GLU A 71 80.987 -2.208 -10.229 1.00 0.00 C ATOM 1115 C GLU A 71 80.799 -3.712 -10.448 1.00 0.00 C ATOM 1116 O GLU A 71 80.237 -4.138 -11.437 1.00 0.00 O ATOM 1117 CB GLU A 71 82.464 -1.831 -10.344 1.00 0.00 C ATOM 1118 CG GLU A 71 82.666 -0.917 -11.554 1.00 0.00 C ATOM 1119 CD GLU A 71 84.142 -0.922 -11.957 1.00 0.00 C ATOM 1120 OE1 GLU A 71 84.840 -1.842 -11.566 1.00 0.00 O ATOM 1121 OE2 GLU A 71 84.548 -0.005 -12.652 1.00 0.00 O ATOM 0 H GLU A 71 81.352 -1.874 -8.151 1.00 0.00 H new ATOM 0 HA GLU A 71 80.375 -1.703 -10.977 1.00 0.00 H new ATOM 0 HB2 GLU A 71 82.793 -1.327 -9.435 1.00 0.00 H new ATOM 0 HB3 GLU A 71 83.072 -2.729 -10.448 1.00 0.00 H new ATOM 0 HG2 GLU A 71 82.050 -1.257 -12.386 1.00 0.00 H new ATOM 0 HG3 GLU A 71 82.347 0.097 -11.314 1.00 0.00 H new ATOM 1128 N GLU A 72 81.274 -4.520 -9.539 1.00 0.00 N ATOM 1129 CA GLU A 72 81.132 -5.988 -9.702 1.00 0.00 C ATOM 1130 C GLU A 72 79.997 -6.528 -8.827 1.00 0.00 C ATOM 1131 O GLU A 72 79.980 -7.689 -8.468 1.00 0.00 O ATOM 1132 CB GLU A 72 82.475 -6.566 -9.256 1.00 0.00 C ATOM 1133 CG GLU A 72 82.798 -7.810 -10.087 1.00 0.00 C ATOM 1134 CD GLU A 72 84.305 -8.072 -10.051 1.00 0.00 C ATOM 1135 OE1 GLU A 72 85.054 -7.141 -10.298 1.00 0.00 O ATOM 1136 OE2 GLU A 72 84.684 -9.199 -9.776 1.00 0.00 O ATOM 0 H GLU A 72 81.755 -4.222 -8.690 1.00 0.00 H new ATOM 0 HA GLU A 72 80.886 -6.261 -10.728 1.00 0.00 H new ATOM 0 HB2 GLU A 72 83.261 -5.821 -9.377 1.00 0.00 H new ATOM 0 HB3 GLU A 72 82.439 -6.822 -8.197 1.00 0.00 H new ATOM 0 HG2 GLU A 72 82.259 -8.672 -9.695 1.00 0.00 H new ATOM 0 HG3 GLU A 72 82.467 -7.669 -11.116 1.00 0.00 H new ATOM 1143 N LYS A 73 79.050 -5.702 -8.477 1.00 0.00 N ATOM 1144 CA LYS A 73 77.924 -6.180 -7.622 1.00 0.00 C ATOM 1145 C LYS A 73 76.608 -5.529 -8.053 1.00 0.00 C ATOM 1146 O LYS A 73 75.567 -6.153 -8.043 1.00 0.00 O ATOM 1147 CB LYS A 73 78.296 -5.749 -6.203 1.00 0.00 C ATOM 1148 CG LYS A 73 77.924 -6.857 -5.219 1.00 0.00 C ATOM 1149 CD LYS A 73 78.654 -8.146 -5.601 1.00 0.00 C ATOM 1150 CE LYS A 73 77.634 -9.200 -6.039 1.00 0.00 C ATOM 1151 NZ LYS A 73 78.319 -9.976 -7.109 1.00 0.00 N ATOM 0 H LYS A 73 79.006 -4.719 -8.745 1.00 0.00 H new ATOM 0 HA LYS A 73 77.780 -7.258 -7.699 1.00 0.00 H new ATOM 0 HB2 LYS A 73 79.364 -5.539 -6.144 1.00 0.00 H new ATOM 0 HB3 LYS A 73 77.775 -4.827 -5.943 1.00 0.00 H new ATOM 0 HG2 LYS A 73 78.192 -6.562 -4.205 1.00 0.00 H new ATOM 0 HG3 LYS A 73 76.846 -7.020 -5.229 1.00 0.00 H new ATOM 0 HD2 LYS A 73 79.360 -7.951 -6.408 1.00 0.00 H new ATOM 0 HD3 LYS A 73 79.232 -8.514 -4.753 1.00 0.00 H new ATOM 0 HE2 LYS A 73 77.348 -9.843 -5.206 1.00 0.00 H new ATOM 0 HE3 LYS A 73 76.721 -8.735 -6.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 77.609 -10.446 -7.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 78.891 -9.332 -7.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 78.937 -10.692 -6.677 1.00 0.00 H new ATOM 1165 N GLN A 74 76.651 -4.281 -8.429 1.00 0.00 N ATOM 1166 CA GLN A 74 75.410 -3.576 -8.862 1.00 0.00 C ATOM 1167 C GLN A 74 74.549 -4.496 -9.727 1.00 0.00 C ATOM 1168 O GLN A 74 74.707 -4.568 -10.930 1.00 0.00 O ATOM 1169 CB GLN A 74 75.900 -2.378 -9.678 1.00 0.00 C ATOM 1170 CG GLN A 74 74.709 -1.701 -10.360 1.00 0.00 C ATOM 1171 CD GLN A 74 74.423 -0.361 -9.678 1.00 0.00 C ATOM 1172 OE1 GLN A 74 73.551 -0.267 -8.839 1.00 0.00 O ATOM 1173 NE2 GLN A 74 75.126 0.688 -10.009 1.00 0.00 N ATOM 0 H GLN A 74 77.499 -3.714 -8.455 1.00 0.00 H new ATOM 0 HA GLN A 74 74.794 -3.271 -8.016 1.00 0.00 H new ATOM 0 HB2 GLN A 74 76.412 -1.668 -9.029 1.00 0.00 H new ATOM 0 HB3 GLN A 74 76.623 -2.705 -10.426 1.00 0.00 H new ATOM 0 HG2 GLN A 74 74.923 -1.545 -11.417 1.00 0.00 H new ATOM 0 HG3 GLN A 74 73.831 -2.344 -10.304 1.00 0.00 H new ATOM 0 HE21 GLN A 74 75.859 0.609 -10.714 1.00 0.00 H new ATOM 0 HE22 GLN A 74 74.942 1.587 -9.563 1.00 0.00 H new ATOM 1182 N GLY A 75 73.640 -5.201 -9.119 1.00 0.00 N ATOM 1183 CA GLY A 75 72.764 -6.122 -9.897 1.00 0.00 C ATOM 1184 C GLY A 75 72.867 -7.533 -9.318 1.00 0.00 C ATOM 1185 O GLY A 75 71.890 -8.106 -8.886 1.00 0.00 O ATOM 0 H GLY A 75 73.464 -5.181 -8.115 1.00 0.00 H new ATOM 0 HA2 GLY A 75 71.731 -5.777 -9.860 1.00 0.00 H new ATOM 0 HA3 GLY A 75 73.062 -6.125 -10.946 1.00 0.00 H new ATOM 1189 N ALA A 76 74.048 -8.093 -9.302 1.00 0.00 N ATOM 1190 CA ALA A 76 74.223 -9.470 -8.747 1.00 0.00 C ATOM 1191 C ALA A 76 73.035 -10.363 -9.129 1.00 0.00 C ATOM 1192 O ALA A 76 72.025 -10.388 -8.454 1.00 0.00 O ATOM 1193 CB ALA A 76 74.282 -9.279 -7.232 1.00 0.00 C ATOM 0 H ALA A 76 74.901 -7.656 -9.650 1.00 0.00 H new ATOM 0 HA ALA A 76 75.117 -9.957 -9.136 1.00 0.00 H new ATOM 0 HB1 ALA A 76 74.410 -10.247 -6.748 1.00 0.00 H new ATOM 0 HB2 ALA A 76 75.123 -8.633 -6.979 1.00 0.00 H new ATOM 0 HB3 ALA A 76 73.355 -8.820 -6.887 1.00 0.00 H new ATOM 1199 N GLU A 77 73.148 -11.095 -10.204 1.00 0.00 N ATOM 1200 CA GLU A 77 72.024 -11.983 -10.622 1.00 0.00 C ATOM 1201 C GLU A 77 71.702 -12.987 -9.512 1.00 0.00 C ATOM 1202 O GLU A 77 72.259 -14.065 -9.457 1.00 0.00 O ATOM 1203 CB GLU A 77 72.532 -12.706 -11.870 1.00 0.00 C ATOM 1204 CG GLU A 77 71.687 -12.298 -13.078 1.00 0.00 C ATOM 1205 CD GLU A 77 72.606 -11.935 -14.246 1.00 0.00 C ATOM 1206 OE1 GLU A 77 73.703 -11.469 -13.987 1.00 0.00 O ATOM 1207 OE2 GLU A 77 72.198 -12.131 -15.378 1.00 0.00 O ATOM 0 H GLU A 77 73.968 -11.117 -10.810 1.00 0.00 H new ATOM 0 HA GLU A 77 71.109 -11.425 -10.820 1.00 0.00 H new ATOM 0 HB2 GLU A 77 73.579 -12.458 -12.045 1.00 0.00 H new ATOM 0 HB3 GLU A 77 72.480 -13.785 -11.724 1.00 0.00 H new ATOM 0 HG2 GLU A 77 71.024 -13.115 -13.364 1.00 0.00 H new ATOM 0 HG3 GLU A 77 71.054 -11.448 -12.822 1.00 0.00 H new ATOM 1214 N ILE A 78 70.805 -12.642 -8.626 1.00 0.00 N ATOM 1215 CA ILE A 78 70.447 -13.578 -7.521 1.00 0.00 C ATOM 1216 C ILE A 78 68.932 -13.599 -7.331 1.00 0.00 C ATOM 1217 O ILE A 78 68.211 -12.855 -7.965 1.00 0.00 O ATOM 1218 CB ILE A 78 71.114 -13.017 -6.263 1.00 0.00 C ATOM 1219 CG1 ILE A 78 72.560 -12.607 -6.562 1.00 0.00 C ATOM 1220 CG2 ILE A 78 71.111 -14.086 -5.170 1.00 0.00 C ATOM 1221 CD1 ILE A 78 73.005 -11.562 -5.541 1.00 0.00 C ATOM 0 H ILE A 78 70.305 -11.753 -8.620 1.00 0.00 H new ATOM 0 HA ILE A 78 70.775 -14.595 -7.734 1.00 0.00 H new ATOM 0 HB ILE A 78 70.558 -12.140 -5.931 1.00 0.00 H new ATOM 0 HG12 ILE A 78 73.214 -13.478 -6.518 1.00 0.00 H new ATOM 0 HG13 ILE A 78 72.635 -12.202 -7.571 1.00 0.00 H new ATOM 0 HG21 ILE A 78 71.585 -13.690 -4.272 1.00 0.00 H new ATOM 0 HG22 ILE A 78 70.084 -14.370 -4.942 1.00 0.00 H new ATOM 0 HG23 ILE A 78 71.662 -14.961 -5.515 1.00 0.00 H new ATOM 0 HD11 ILE A 78 74.033 -11.266 -5.748 1.00 0.00 H new ATOM 0 HD12 ILE A 78 72.356 -10.689 -5.607 1.00 0.00 H new ATOM 0 HD13 ILE A 78 72.944 -11.984 -4.538 1.00 0.00 H new ATOM 1233 N ASP A 79 68.445 -14.437 -6.456 1.00 0.00 N ATOM 1234 CA ASP A 79 66.974 -14.499 -6.221 1.00 0.00 C ATOM 1235 C ASP A 79 66.227 -14.389 -7.551 1.00 0.00 C ATOM 1236 O ASP A 79 65.176 -13.786 -7.637 1.00 0.00 O ATOM 1237 CB ASP A 79 66.666 -13.295 -5.328 1.00 0.00 C ATOM 1238 CG ASP A 79 65.575 -13.669 -4.323 1.00 0.00 C ATOM 1239 OD1 ASP A 79 65.897 -14.327 -3.347 1.00 0.00 O ATOM 1240 OD2 ASP A 79 64.436 -13.292 -4.547 1.00 0.00 O ATOM 0 H ASP A 79 69.002 -15.081 -5.894 1.00 0.00 H new ATOM 0 HA ASP A 79 66.665 -15.437 -5.759 1.00 0.00 H new ATOM 0 HB2 ASP A 79 67.567 -12.980 -4.802 1.00 0.00 H new ATOM 0 HB3 ASP A 79 66.340 -12.451 -5.937 1.00 0.00 H new ATOM 1245 N GLY A 80 66.769 -14.961 -8.591 1.00 0.00 N ATOM 1246 CA GLY A 80 66.101 -14.886 -9.915 1.00 0.00 C ATOM 1247 C GLY A 80 65.925 -13.418 -10.310 1.00 0.00 C ATOM 1248 O GLY A 80 64.946 -13.046 -10.926 1.00 0.00 O ATOM 0 H GLY A 80 67.648 -15.478 -8.578 1.00 0.00 H new ATOM 0 HA2 GLY A 80 66.695 -15.408 -10.665 1.00 0.00 H new ATOM 0 HA3 GLY A 80 65.131 -15.383 -9.875 1.00 0.00 H new ATOM 1252 N ARG A 81 66.865 -12.582 -9.960 1.00 0.00 N ATOM 1253 CA ARG A 81 66.749 -11.139 -10.317 1.00 0.00 C ATOM 1254 C ARG A 81 68.072 -10.423 -10.036 1.00 0.00 C ATOM 1255 O ARG A 81 69.122 -11.033 -10.001 1.00 0.00 O ATOM 1256 CB ARG A 81 65.642 -10.595 -9.413 1.00 0.00 C ATOM 1257 CG ARG A 81 66.082 -10.695 -7.951 1.00 0.00 C ATOM 1258 CD ARG A 81 65.307 -9.676 -7.112 1.00 0.00 C ATOM 1259 NE ARG A 81 63.884 -9.849 -7.517 1.00 0.00 N ATOM 1260 CZ ARG A 81 63.136 -8.801 -7.733 1.00 0.00 C ATOM 1261 NH1 ARG A 81 63.374 -8.031 -8.758 1.00 0.00 N ATOM 1262 NH2 ARG A 81 62.151 -8.526 -6.923 1.00 0.00 N ATOM 0 H ARG A 81 67.707 -12.835 -9.443 1.00 0.00 H new ATOM 0 HA ARG A 81 66.522 -10.989 -11.372 1.00 0.00 H new ATOM 0 HB2 ARG A 81 65.426 -9.558 -9.669 1.00 0.00 H new ATOM 0 HB3 ARG A 81 64.722 -11.159 -9.567 1.00 0.00 H new ATOM 0 HG2 ARG A 81 65.903 -11.702 -7.575 1.00 0.00 H new ATOM 0 HG3 ARG A 81 67.153 -10.509 -7.869 1.00 0.00 H new ATOM 0 HD2 ARG A 81 65.439 -9.860 -6.046 1.00 0.00 H new ATOM 0 HD3 ARG A 81 65.652 -8.660 -7.306 1.00 0.00 H new ATOM 0 HE ARG A 81 63.494 -10.785 -7.625 1.00 0.00 H new ATOM 0 HH11 ARG A 81 64.144 -8.248 -9.391 1.00 0.00 H new ATOM 0 HH12 ARG A 81 62.790 -7.212 -8.927 1.00 0.00 H new ATOM 0 HH21 ARG A 81 61.966 -9.130 -6.122 1.00 0.00 H new ATOM 0 HH22 ARG A 81 61.566 -7.707 -7.091 1.00 0.00 H new ATOM 1276 N SER A 82 68.030 -9.135 -9.834 1.00 0.00 N ATOM 1277 CA SER A 82 69.288 -8.389 -9.555 1.00 0.00 C ATOM 1278 C SER A 82 69.058 -7.354 -8.450 1.00 0.00 C ATOM 1279 O SER A 82 67.968 -6.845 -8.279 1.00 0.00 O ATOM 1280 CB SER A 82 69.639 -7.697 -10.871 1.00 0.00 C ATOM 1281 OG SER A 82 70.757 -8.348 -11.459 1.00 0.00 O ATOM 0 H SER A 82 67.182 -8.569 -9.850 1.00 0.00 H new ATOM 0 HA SER A 82 70.088 -9.045 -9.213 1.00 0.00 H new ATOM 0 HB2 SER A 82 68.787 -7.728 -11.550 1.00 0.00 H new ATOM 0 HB3 SER A 82 69.867 -6.646 -10.693 1.00 0.00 H new ATOM 0 HG SER A 82 70.984 -7.908 -12.305 1.00 0.00 H new ATOM 1287 N VAL A 83 70.079 -7.040 -7.701 1.00 0.00 N ATOM 1288 CA VAL A 83 69.924 -6.038 -6.610 1.00 0.00 C ATOM 1289 C VAL A 83 70.545 -4.705 -7.031 1.00 0.00 C ATOM 1290 O VAL A 83 71.686 -4.643 -7.448 1.00 0.00 O ATOM 1291 CB VAL A 83 70.670 -6.635 -5.416 1.00 0.00 C ATOM 1292 CG1 VAL A 83 70.911 -5.548 -4.368 1.00 0.00 C ATOM 1293 CG2 VAL A 83 69.828 -7.756 -4.802 1.00 0.00 C ATOM 0 H VAL A 83 71.015 -7.435 -7.798 1.00 0.00 H new ATOM 0 HA VAL A 83 68.879 -5.837 -6.372 1.00 0.00 H new ATOM 0 HB VAL A 83 71.627 -7.036 -5.749 1.00 0.00 H new ATOM 0 HG11 VAL A 83 71.443 -5.974 -3.517 1.00 0.00 H new ATOM 0 HG12 VAL A 83 71.508 -4.747 -4.805 1.00 0.00 H new ATOM 0 HG13 VAL A 83 69.954 -5.146 -4.034 1.00 0.00 H new ATOM 0 HG21 VAL A 83 70.357 -8.184 -3.950 1.00 0.00 H new ATOM 0 HG22 VAL A 83 68.872 -7.352 -4.469 1.00 0.00 H new ATOM 0 HG23 VAL A 83 69.655 -8.531 -5.548 1.00 0.00 H new ATOM 1303 N SER A 84 69.801 -3.638 -6.930 1.00 0.00 N ATOM 1304 CA SER A 84 70.343 -2.308 -7.329 1.00 0.00 C ATOM 1305 C SER A 84 71.281 -1.770 -6.247 1.00 0.00 C ATOM 1306 O SER A 84 71.172 -2.117 -5.088 1.00 0.00 O ATOM 1307 CB SER A 84 69.118 -1.408 -7.471 1.00 0.00 C ATOM 1308 OG SER A 84 68.869 -1.167 -8.850 1.00 0.00 O ATOM 0 H SER A 84 68.840 -3.630 -6.588 1.00 0.00 H new ATOM 0 HA SER A 84 70.921 -2.359 -8.252 1.00 0.00 H new ATOM 0 HB2 SER A 84 68.250 -1.880 -7.010 1.00 0.00 H new ATOM 0 HB3 SER A 84 69.283 -0.465 -6.949 1.00 0.00 H new ATOM 0 HG SER A 84 68.082 -0.591 -8.944 1.00 0.00 H new ATOM 1314 N LEU A 85 72.200 -0.922 -6.618 1.00 0.00 N ATOM 1315 CA LEU A 85 73.143 -0.358 -5.613 1.00 0.00 C ATOM 1316 C LEU A 85 73.096 1.169 -5.650 1.00 0.00 C ATOM 1317 O LEU A 85 73.356 1.783 -6.666 1.00 0.00 O ATOM 1318 CB LEU A 85 74.522 -0.860 -6.038 1.00 0.00 C ATOM 1319 CG LEU A 85 74.746 -2.261 -5.474 1.00 0.00 C ATOM 1320 CD1 LEU A 85 76.098 -2.791 -5.951 1.00 0.00 C ATOM 1321 CD2 LEU A 85 74.731 -2.194 -3.945 1.00 0.00 C ATOM 0 H LEU A 85 72.338 -0.595 -7.574 1.00 0.00 H new ATOM 0 HA LEU A 85 72.895 -0.662 -4.596 1.00 0.00 H new ATOM 0 HB2 LEU A 85 74.596 -0.877 -7.125 1.00 0.00 H new ATOM 0 HB3 LEU A 85 75.295 -0.182 -5.677 1.00 0.00 H new ATOM 0 HG LEU A 85 73.956 -2.928 -5.819 1.00 0.00 H new ATOM 0 HD11 LEU A 85 76.259 -3.791 -5.549 1.00 0.00 H new ATOM 0 HD12 LEU A 85 76.109 -2.832 -7.040 1.00 0.00 H new ATOM 0 HD13 LEU A 85 76.891 -2.129 -5.604 1.00 0.00 H new ATOM 0 HD21 LEU A 85 74.890 -3.191 -3.536 1.00 0.00 H new ATOM 0 HD22 LEU A 85 75.524 -1.530 -3.602 1.00 0.00 H new ATOM 0 HD23 LEU A 85 73.767 -1.813 -3.607 1.00 0.00 H new ATOM 1333 N TYR A 86 72.762 1.791 -4.553 1.00 0.00 N ATOM 1334 CA TYR A 86 72.696 3.278 -4.542 1.00 0.00 C ATOM 1335 C TYR A 86 73.727 3.862 -3.572 1.00 0.00 C ATOM 1336 O TYR A 86 73.578 3.785 -2.369 1.00 0.00 O ATOM 1337 CB TYR A 86 71.278 3.607 -4.077 1.00 0.00 C ATOM 1338 CG TYR A 86 70.335 3.549 -5.253 1.00 0.00 C ATOM 1339 CD1 TYR A 86 69.992 2.314 -5.815 1.00 0.00 C ATOM 1340 CD2 TYR A 86 69.803 4.731 -5.782 1.00 0.00 C ATOM 1341 CE1 TYR A 86 69.117 2.260 -6.906 1.00 0.00 C ATOM 1342 CE2 TYR A 86 68.928 4.677 -6.874 1.00 0.00 C ATOM 1343 CZ TYR A 86 68.584 3.441 -7.436 1.00 0.00 C ATOM 1344 OH TYR A 86 67.721 3.389 -8.511 1.00 0.00 O ATOM 0 H TYR A 86 72.533 1.336 -3.669 1.00 0.00 H new ATOM 0 HA TYR A 86 72.917 3.702 -5.522 1.00 0.00 H new ATOM 0 HB2 TYR A 86 70.963 2.900 -3.310 1.00 0.00 H new ATOM 0 HB3 TYR A 86 71.253 4.599 -3.626 1.00 0.00 H new ATOM 0 HD1 TYR A 86 70.403 1.402 -5.407 1.00 0.00 H new ATOM 0 HD2 TYR A 86 70.067 5.684 -5.348 1.00 0.00 H new ATOM 0 HE1 TYR A 86 68.853 1.307 -7.339 1.00 0.00 H new ATOM 0 HE2 TYR A 86 68.518 5.589 -7.283 1.00 0.00 H new ATOM 0 HH TYR A 86 67.444 4.298 -8.752 1.00 0.00 H new ATOM 1354 N TYR A 87 74.765 4.460 -4.091 1.00 0.00 N ATOM 1355 CA TYR A 87 75.803 5.068 -3.225 1.00 0.00 C ATOM 1356 C TYR A 87 75.209 6.178 -2.364 1.00 0.00 C ATOM 1357 O TYR A 87 75.833 6.681 -1.454 1.00 0.00 O ATOM 1358 CB TYR A 87 76.805 5.648 -4.209 1.00 0.00 C ATOM 1359 CG TYR A 87 78.140 4.956 -4.069 1.00 0.00 C ATOM 1360 CD1 TYR A 87 78.195 3.604 -3.709 1.00 0.00 C ATOM 1361 CD2 TYR A 87 79.323 5.666 -4.309 1.00 0.00 C ATOM 1362 CE1 TYR A 87 79.435 2.963 -3.587 1.00 0.00 C ATOM 1363 CE2 TYR A 87 80.561 5.024 -4.190 1.00 0.00 C ATOM 1364 CZ TYR A 87 80.617 3.673 -3.828 1.00 0.00 C ATOM 1365 OH TYR A 87 81.838 3.041 -3.711 1.00 0.00 O ATOM 0 H TYR A 87 74.936 4.552 -5.092 1.00 0.00 H new ATOM 0 HA TYR A 87 76.246 4.348 -2.538 1.00 0.00 H new ATOM 0 HB2 TYR A 87 76.433 5.533 -5.227 1.00 0.00 H new ATOM 0 HB3 TYR A 87 76.922 6.717 -4.032 1.00 0.00 H new ATOM 0 HD1 TYR A 87 77.283 3.056 -3.526 1.00 0.00 H new ATOM 0 HD2 TYR A 87 79.280 6.709 -4.586 1.00 0.00 H new ATOM 0 HE1 TYR A 87 79.479 1.921 -3.307 1.00 0.00 H new ATOM 0 HE2 TYR A 87 81.473 5.571 -4.377 1.00 0.00 H new ATOM 0 HH TYR A 87 82.556 3.677 -3.913 1.00 0.00 H new ATOM 1375 N THR A 88 74.010 6.555 -2.667 1.00 0.00 N ATOM 1376 CA THR A 88 73.321 7.641 -1.906 1.00 0.00 C ATOM 1377 C THR A 88 73.869 9.005 -2.336 1.00 0.00 C ATOM 1378 O THR A 88 73.857 9.963 -1.588 1.00 0.00 O ATOM 1379 CB THR A 88 73.581 7.329 -0.415 1.00 0.00 C ATOM 1380 OG1 THR A 88 72.354 7.410 0.296 1.00 0.00 O ATOM 1381 CG2 THR A 88 74.583 8.313 0.197 1.00 0.00 C ATOM 0 H THR A 88 73.459 6.153 -3.425 1.00 0.00 H new ATOM 0 HA THR A 88 72.248 7.682 -2.096 1.00 0.00 H new ATOM 0 HB THR A 88 74.002 6.326 -0.343 1.00 0.00 H new ATOM 0 HG1 THR A 88 72.511 7.211 1.243 1.00 0.00 H new ATOM 0 HG21 THR A 88 74.743 8.064 1.246 1.00 0.00 H new ATOM 0 HG22 THR A 88 75.530 8.249 -0.339 1.00 0.00 H new ATOM 0 HG23 THR A 88 74.191 9.327 0.120 1.00 0.00 H new ATOM 1389 N GLY A 89 74.330 9.100 -3.549 1.00 0.00 N ATOM 1390 CA GLY A 89 74.862 10.399 -4.036 1.00 0.00 C ATOM 1391 C GLY A 89 76.155 10.723 -3.316 1.00 0.00 C ATOM 1392 O GLY A 89 77.228 10.279 -3.678 1.00 0.00 O ATOM 0 H GLY A 89 74.361 8.335 -4.223 1.00 0.00 H new ATOM 0 HA2 GLY A 89 75.035 10.352 -5.111 1.00 0.00 H new ATOM 0 HA3 GLY A 89 74.131 11.189 -3.865 1.00 0.00 H new ATOM 1396 N GLU A 90 76.045 11.503 -2.304 1.00 0.00 N ATOM 1397 CA GLU A 90 77.247 11.904 -1.519 1.00 0.00 C ATOM 1398 C GLU A 90 76.922 11.952 -0.024 1.00 0.00 C ATOM 1399 O GLU A 90 77.257 12.897 0.661 1.00 0.00 O ATOM 1400 CB GLU A 90 77.607 13.299 -2.032 1.00 0.00 C ATOM 1401 CG GLU A 90 77.642 13.287 -3.562 1.00 0.00 C ATOM 1402 CD GLU A 90 77.880 14.708 -4.077 1.00 0.00 C ATOM 1403 OE1 GLU A 90 76.910 15.434 -4.221 1.00 0.00 O ATOM 1404 OE2 GLU A 90 79.027 15.046 -4.318 1.00 0.00 O ATOM 0 H GLU A 90 75.164 11.894 -1.970 1.00 0.00 H new ATOM 0 HA GLU A 90 78.068 11.197 -1.639 1.00 0.00 H new ATOM 0 HB2 GLU A 90 76.876 14.027 -1.680 1.00 0.00 H new ATOM 0 HB3 GLU A 90 78.576 13.604 -1.638 1.00 0.00 H new ATOM 0 HG2 GLU A 90 78.433 12.624 -3.913 1.00 0.00 H new ATOM 0 HG3 GLU A 90 76.702 12.899 -3.955 1.00 0.00 H new ATOM 1411 N LYS A 91 76.275 10.942 0.488 1.00 0.00 N ATOM 1412 CA LYS A 91 75.936 10.941 1.939 1.00 0.00 C ATOM 1413 C LYS A 91 76.520 9.699 2.619 1.00 0.00 C ATOM 1414 O LYS A 91 76.649 9.648 3.826 1.00 0.00 O ATOM 1415 CB LYS A 91 74.410 10.913 1.991 1.00 0.00 C ATOM 1416 CG LYS A 91 73.924 11.756 3.173 1.00 0.00 C ATOM 1417 CD LYS A 91 72.518 12.284 2.879 1.00 0.00 C ATOM 1418 CE LYS A 91 72.011 13.084 4.082 1.00 0.00 C ATOM 1419 NZ LYS A 91 71.093 14.104 3.505 1.00 0.00 N ATOM 0 H LYS A 91 75.967 10.121 -0.033 1.00 0.00 H new ATOM 0 HA LYS A 91 76.345 11.808 2.458 1.00 0.00 H new ATOM 0 HB2 LYS A 91 73.997 11.301 1.060 1.00 0.00 H new ATOM 0 HB3 LYS A 91 74.058 9.887 2.093 1.00 0.00 H new ATOM 0 HG2 LYS A 91 73.916 11.156 4.083 1.00 0.00 H new ATOM 0 HG3 LYS A 91 74.607 12.587 3.346 1.00 0.00 H new ATOM 0 HD2 LYS A 91 72.533 12.914 1.990 1.00 0.00 H new ATOM 0 HD3 LYS A 91 71.843 11.454 2.670 1.00 0.00 H new ATOM 0 HE2 LYS A 91 71.491 12.442 4.793 1.00 0.00 H new ATOM 0 HE3 LYS A 91 72.835 13.553 4.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 70.704 14.693 4.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 71.617 14.705 2.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 70.315 13.628 3.005 1.00 0.00 H new ATOM 1433 N GLY A 92 76.875 8.695 1.859 1.00 0.00 N ATOM 1434 CA GLY A 92 77.447 7.469 2.482 1.00 0.00 C ATOM 1435 C GLY A 92 78.500 7.868 3.516 1.00 0.00 C ATOM 1436 O GLY A 92 79.142 8.894 3.400 1.00 0.00 O ATOM 0 H GLY A 92 76.794 8.672 0.842 1.00 0.00 H new ATOM 0 HA2 GLY A 92 76.657 6.887 2.957 1.00 0.00 H new ATOM 0 HA3 GLY A 92 77.895 6.834 1.717 1.00 0.00 H new ATOM 1440 N GLY A 93 78.684 7.067 4.529 1.00 0.00 N ATOM 1441 CA GLY A 93 79.697 7.402 5.569 1.00 0.00 C ATOM 1442 C GLY A 93 79.063 8.303 6.631 1.00 0.00 C ATOM 1443 O GLY A 93 79.641 9.283 7.053 1.00 0.00 O ATOM 0 H GLY A 93 78.177 6.195 4.682 1.00 0.00 H new ATOM 0 HA2 GLY A 93 80.075 6.490 6.030 1.00 0.00 H new ATOM 0 HA3 GLY A 93 80.549 7.905 5.112 1.00 0.00 H new ATOM 1447 N THR A 94 77.877 7.977 7.066 1.00 0.00 N ATOM 1448 CA THR A 94 77.207 8.816 8.101 1.00 0.00 C ATOM 1449 C THR A 94 77.956 8.708 9.433 1.00 0.00 C ATOM 1450 O THR A 94 77.942 7.681 10.080 1.00 0.00 O ATOM 1451 CB THR A 94 75.797 8.237 8.230 1.00 0.00 C ATOM 1452 OG1 THR A 94 75.066 8.985 9.192 1.00 0.00 O ATOM 1453 CG2 THR A 94 75.880 6.775 8.672 1.00 0.00 C ATOM 0 H THR A 94 77.343 7.167 6.750 1.00 0.00 H new ATOM 0 HA THR A 94 77.190 9.872 7.830 1.00 0.00 H new ATOM 0 HB THR A 94 75.292 8.293 7.266 1.00 0.00 H new ATOM 0 HG1 THR A 94 74.162 8.616 9.275 1.00 0.00 H new ATOM 0 HG21 THR A 94 74.874 6.365 8.763 1.00 0.00 H new ATOM 0 HG22 THR A 94 76.440 6.202 7.932 1.00 0.00 H new ATOM 0 HG23 THR A 94 76.385 6.714 9.636 1.00 0.00 H new ATOM 1461 N ARG A 95 78.614 9.762 9.839 1.00 0.00 N ATOM 1462 CA ARG A 95 79.370 9.730 11.120 1.00 0.00 C ATOM 1463 C ARG A 95 78.585 8.965 12.190 1.00 0.00 C ATOM 1464 O ARG A 95 77.388 9.116 12.323 1.00 0.00 O ATOM 1465 CB ARG A 95 79.528 11.197 11.521 1.00 0.00 C ATOM 1466 CG ARG A 95 78.157 11.783 11.864 1.00 0.00 C ATOM 1467 CD ARG A 95 78.124 13.264 11.481 1.00 0.00 C ATOM 1468 NE ARG A 95 77.799 13.980 12.747 1.00 0.00 N ATOM 1469 CZ ARG A 95 76.586 14.412 12.958 1.00 0.00 C ATOM 1470 NH1 ARG A 95 75.598 13.565 13.050 1.00 0.00 N ATOM 1471 NH2 ARG A 95 76.362 15.692 13.079 1.00 0.00 N ATOM 0 H ARG A 95 78.659 10.647 9.334 1.00 0.00 H new ATOM 0 HA ARG A 95 80.331 9.226 11.015 1.00 0.00 H new ATOM 0 HB2 ARG A 95 80.196 11.281 12.378 1.00 0.00 H new ATOM 0 HB3 ARG A 95 79.983 11.761 10.706 1.00 0.00 H new ATOM 0 HG2 ARG A 95 77.375 11.241 11.332 1.00 0.00 H new ATOM 0 HG3 ARG A 95 77.957 11.667 12.929 1.00 0.00 H new ATOM 0 HD2 ARG A 95 79.083 13.589 11.078 1.00 0.00 H new ATOM 0 HD3 ARG A 95 77.374 13.457 10.714 1.00 0.00 H new ATOM 0 HE ARG A 95 78.524 14.132 13.448 1.00 0.00 H new ATOM 0 HH11 ARG A 95 75.774 12.565 12.957 1.00 0.00 H new ATOM 0 HH12 ARG A 95 74.650 13.903 13.215 1.00 0.00 H new ATOM 0 HH21 ARG A 95 77.135 16.354 13.009 1.00 0.00 H new ATOM 0 HH22 ARG A 95 75.414 16.030 13.244 1.00 0.00 H new ATOM 1485 N GLY A 96 79.253 8.142 12.953 1.00 0.00 N ATOM 1486 CA GLY A 96 78.546 7.369 14.013 1.00 0.00 C ATOM 1487 C GLY A 96 79.511 6.365 14.644 1.00 0.00 C ATOM 1488 O GLY A 96 79.070 5.278 14.978 1.00 0.00 O ATOM 1489 OXT GLY A 96 80.676 6.700 14.782 1.00 0.00 O ATOM 0 H GLY A 96 80.257 7.972 12.888 1.00 0.00 H new ATOM 0 HA2 GLY A 96 78.160 8.046 14.775 1.00 0.00 H new ATOM 0 HA3 GLY A 96 77.689 6.847 13.587 1.00 0.00 H new TER 1493 GLY A 96