USER MOD reduce.3.24.130724 H: found=0, std=0, add=581, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 581 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 46 THR OG1 : rot -166:sc= 1.79 USER MOD Set 1.2: A 50 THR OG1 : rot 158:sc= 1.26 USER MOD Set 2.1: A 9 THR OG1 : rot -114:sc= 1.34 USER MOD Set 2.2: A 19 HIS : no HD1:sc= 1.89 K(o=3.2,f=-12!) USER MOD Single : A 1 VAL N :NH3+ -179:sc= -0.365 (180deg=-0.399) USER MOD Single : A 3 MET CE :methyl 156:sc= -1.5 (180deg=-1.84!) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 ASN : amide:sc= -6.61! K(o=-6.6!,f=-2) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 TYR OH : rot -100:sc= -1.28 USER MOD Single : A 13 GLN : amide:sc= -1.06 K(o=-1.1,f=0) USER MOD Single : A 16 SER OG : rot 180:sc= 0.0796 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 164:sc= -0.048 (180deg=-0.369) USER MOD Single : A 26 MET CE :methyl 139:sc= -1.2 (180deg=-2.19!) USER MOD Single : A 28 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= -2.56! K(o=-2.6!,f=-3.5) USER MOD Single : A 31 LYS NZ :NH3+ -155:sc= 1.24 (180deg=1.04) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot 44:sc= 0.0879 USER MOD Single : A 36 MET CE :methyl 172:sc= -0.288 (180deg=-0.502) USER MOD Single : A 37 ASN : amide:sc= -0.333 X(o=-0.33,f=-0.1) USER MOD Single : A 38 MET CE :methyl -122:sc= -1.05 (180deg=-1.46!) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 MET CE :methyl -158:sc= -0.173 (180deg=-0.757) USER MOD Single : A 51 LYS NZ :NH3+ 165:sc= 2.35 (180deg=2.07) USER MOD Single : A 54 MET CE :methyl -115:sc= -0.395 (180deg=-1.15) USER MOD Single : A 55 LYS NZ :NH3+ 163:sc= 1.2 (180deg=0.987) USER MOD Single : A 57 ASN : amide:sc= -1.07 K(o=-1.1,f=0) USER MOD Single : A 68 LYS NZ :NH3+ -165:sc= -0.0422 (180deg=-0.261) USER MOD Single : A 70 HIS : no HD1:sc= -0.262 K(o=-0.26,f=-4.5!) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 13.439 1.304 3.194 1.00 2.42 N ATOM 2 CA VAL A 1 12.123 1.959 3.374 1.00 1.98 C ATOM 3 C VAL A 1 12.039 2.690 4.712 1.00 1.83 C ATOM 4 O VAL A 1 11.363 3.716 4.808 1.00 2.26 O ATOM 5 CB VAL A 1 10.950 0.952 3.274 1.00 1.77 C ATOM 6 CG1 VAL A 1 10.810 0.427 1.853 1.00 2.46 C ATOM 7 CG2 VAL A 1 11.127 -0.200 4.251 1.00 1.89 C ATOM 0 H1 VAL A 1 13.468 0.831 2.268 1.00 2.42 H new ATOM 0 H2 VAL A 1 14.192 2.020 3.241 1.00 2.42 H new ATOM 0 H3 VAL A 1 13.582 0.600 3.946 1.00 2.42 H new ATOM 0 HA VAL A 1 12.033 2.681 2.562 1.00 1.98 H new ATOM 0 HB VAL A 1 10.035 1.482 3.540 1.00 1.77 H new ATOM 0 HG11 VAL A 1 9.980 -0.278 1.806 1.00 2.46 H new ATOM 0 HG12 VAL A 1 10.618 1.259 1.175 1.00 2.46 H new ATOM 0 HG13 VAL A 1 11.731 -0.076 1.559 1.00 2.46 H new ATOM 0 HG21 VAL A 1 10.288 -0.889 4.157 1.00 1.89 H new ATOM 0 HG22 VAL A 1 12.055 -0.726 4.029 1.00 1.89 H new ATOM 0 HG23 VAL A 1 11.165 0.189 5.269 1.00 1.89 H new ATOM 19 N ASP A 2 12.736 2.165 5.728 1.00 1.77 N ATOM 20 CA ASP A 2 12.714 2.722 7.088 1.00 1.63 C ATOM 21 C ASP A 2 11.321 2.594 7.700 1.00 1.22 C ATOM 22 O ASP A 2 10.340 3.111 7.173 1.00 1.60 O ATOM 23 CB ASP A 2 13.180 4.184 7.107 1.00 2.00 C ATOM 24 CG ASP A 2 14.627 4.345 6.677 1.00 2.77 C ATOM 25 OD1 ASP A 2 15.531 3.937 7.443 1.00 3.11 O ATOM 26 OD2 ASP A 2 14.869 4.872 5.573 1.00 3.48 O ATOM 0 H ASP A 2 13.331 1.342 5.631 1.00 1.77 H new ATOM 0 HA ASP A 2 13.414 2.144 7.692 1.00 1.63 H new ATOM 0 HB2 ASP A 2 12.542 4.773 6.448 1.00 2.00 H new ATOM 0 HB3 ASP A 2 13.057 4.587 8.112 1.00 2.00 H new ATOM 31 N MET A 3 11.225 1.907 8.823 1.00 0.96 N ATOM 32 CA MET A 3 9.923 1.570 9.373 1.00 0.96 C ATOM 33 C MET A 3 9.421 2.617 10.363 1.00 0.91 C ATOM 34 O MET A 3 8.501 2.358 11.137 1.00 1.26 O ATOM 35 CB MET A 3 9.983 0.207 10.044 1.00 1.43 C ATOM 36 CG MET A 3 10.571 -0.883 9.161 1.00 1.59 C ATOM 37 SD MET A 3 9.869 -0.910 7.498 1.00 2.01 S ATOM 38 CE MET A 3 8.133 -1.123 7.864 1.00 2.17 C ATOM 0 H MET A 3 12.021 1.574 9.367 1.00 0.96 H new ATOM 0 HA MET A 3 9.216 1.545 8.544 1.00 0.96 H new ATOM 0 HB2 MET A 3 10.578 0.286 10.954 1.00 1.43 H new ATOM 0 HB3 MET A 3 8.977 -0.085 10.345 1.00 1.43 H new ATOM 0 HG2 MET A 3 11.649 -0.742 9.090 1.00 1.59 H new ATOM 0 HG3 MET A 3 10.407 -1.852 9.633 1.00 1.59 H new ATOM 0 HE1 MET A 3 7.537 -0.744 7.034 1.00 2.17 H new ATOM 0 HE2 MET A 3 7.919 -2.182 8.011 1.00 2.17 H new ATOM 0 HE3 MET A 3 7.882 -0.573 8.771 1.00 2.17 H new ATOM 48 N SER A 4 10.008 3.800 10.332 1.00 0.78 N ATOM 49 CA SER A 4 9.582 4.875 11.219 1.00 0.78 C ATOM 50 C SER A 4 8.702 5.879 10.478 1.00 0.72 C ATOM 51 O SER A 4 7.864 6.550 11.079 1.00 0.81 O ATOM 52 CB SER A 4 10.797 5.581 11.817 1.00 0.86 C ATOM 53 OG SER A 4 11.628 4.661 12.504 1.00 1.47 O ATOM 0 H SER A 4 10.777 4.043 9.707 1.00 0.78 H new ATOM 0 HA SER A 4 8.995 4.436 12.025 1.00 0.78 H new ATOM 0 HB2 SER A 4 11.365 6.070 11.025 1.00 0.86 H new ATOM 0 HB3 SER A 4 10.468 6.362 12.502 1.00 0.86 H new ATOM 0 HG SER A 4 12.401 5.134 12.878 1.00 1.47 H new ATOM 59 N ASN A 5 8.877 5.965 9.167 1.00 0.64 N ATOM 60 CA ASN A 5 8.135 6.930 8.364 1.00 0.64 C ATOM 61 C ASN A 5 6.962 6.274 7.666 1.00 0.57 C ATOM 62 O ASN A 5 6.377 6.838 6.753 1.00 0.68 O ATOM 63 CB ASN A 5 9.039 7.605 7.327 1.00 0.69 C ATOM 64 CG ASN A 5 9.865 6.631 6.502 1.00 1.19 C ATOM 65 OD1 ASN A 5 10.982 6.946 6.088 1.00 1.89 O ATOM 66 ND2 ASN A 5 9.329 5.455 6.244 1.00 1.24 N ATOM 0 H ASN A 5 9.524 5.381 8.637 1.00 0.64 H new ATOM 0 HA ASN A 5 7.758 7.691 9.047 1.00 0.64 H new ATOM 0 HB2 ASN A 5 8.422 8.202 6.656 1.00 0.69 H new ATOM 0 HB3 ASN A 5 9.711 8.293 7.839 1.00 0.69 H new ATOM 0 HD21 ASN A 5 9.841 4.772 5.686 1.00 1.24 H new ATOM 0 HD22 ASN A 5 8.402 5.227 6.603 1.00 1.24 H new ATOM 73 N VAL A 6 6.634 5.078 8.086 1.00 0.44 N ATOM 74 CA VAL A 6 5.548 4.349 7.471 1.00 0.40 C ATOM 75 C VAL A 6 4.303 4.415 8.350 1.00 0.40 C ATOM 76 O VAL A 6 4.370 4.178 9.555 1.00 0.47 O ATOM 77 CB VAL A 6 5.949 2.885 7.190 1.00 0.43 C ATOM 78 CG1 VAL A 6 6.265 2.134 8.474 1.00 0.98 C ATOM 79 CG2 VAL A 6 4.863 2.183 6.403 1.00 1.25 C ATOM 0 H VAL A 6 7.101 4.588 8.849 1.00 0.44 H new ATOM 0 HA VAL A 6 5.320 4.817 6.513 1.00 0.40 H new ATOM 0 HB VAL A 6 6.859 2.896 6.591 1.00 0.43 H new ATOM 0 HG11 VAL A 6 6.543 1.107 8.236 1.00 0.98 H new ATOM 0 HG12 VAL A 6 7.092 2.624 8.988 1.00 0.98 H new ATOM 0 HG13 VAL A 6 5.387 2.132 9.120 1.00 0.98 H new ATOM 0 HG21 VAL A 6 5.160 1.152 6.213 1.00 1.25 H new ATOM 0 HG22 VAL A 6 3.935 2.193 6.975 1.00 1.25 H new ATOM 0 HG23 VAL A 6 4.711 2.698 5.454 1.00 1.25 H new ATOM 89 N VAL A 7 3.177 4.788 7.757 1.00 0.38 N ATOM 90 CA VAL A 7 1.931 4.874 8.513 1.00 0.41 C ATOM 91 C VAL A 7 1.121 3.588 8.401 1.00 0.37 C ATOM 92 O VAL A 7 0.286 3.299 9.262 1.00 0.42 O ATOM 93 CB VAL A 7 1.057 6.084 8.102 1.00 0.52 C ATOM 94 CG1 VAL A 7 1.683 7.377 8.599 1.00 0.94 C ATOM 95 CG2 VAL A 7 0.843 6.142 6.596 1.00 1.03 C ATOM 0 H VAL A 7 3.098 5.033 6.770 1.00 0.38 H new ATOM 0 HA VAL A 7 2.225 5.021 9.552 1.00 0.41 H new ATOM 0 HB VAL A 7 0.079 5.959 8.566 1.00 0.52 H new ATOM 0 HG11 VAL A 7 1.059 8.220 8.304 1.00 0.94 H new ATOM 0 HG12 VAL A 7 1.763 7.348 9.686 1.00 0.94 H new ATOM 0 HG13 VAL A 7 2.676 7.491 8.165 1.00 0.94 H new ATOM 0 HG21 VAL A 7 0.225 7.005 6.349 1.00 1.03 H new ATOM 0 HG22 VAL A 7 1.807 6.231 6.095 1.00 1.03 H new ATOM 0 HG23 VAL A 7 0.344 5.232 6.264 1.00 1.03 H new ATOM 105 N LYS A 8 1.378 2.807 7.357 1.00 0.34 N ATOM 106 CA LYS A 8 0.711 1.523 7.198 1.00 0.35 C ATOM 107 C LYS A 8 1.391 0.678 6.132 1.00 0.31 C ATOM 108 O LYS A 8 1.860 1.186 5.111 1.00 0.35 O ATOM 109 CB LYS A 8 -0.766 1.716 6.846 1.00 0.44 C ATOM 110 CG LYS A 8 -1.584 0.439 6.948 1.00 0.50 C ATOM 111 CD LYS A 8 -1.490 -0.155 8.346 1.00 0.57 C ATOM 112 CE LYS A 8 -2.337 -1.409 8.493 1.00 1.01 C ATOM 113 NZ LYS A 8 -2.184 -2.015 9.842 1.00 1.41 N ATOM 0 H LYS A 8 2.038 3.039 6.615 1.00 0.34 H new ATOM 0 HA LYS A 8 0.780 0.998 8.151 1.00 0.35 H new ATOM 0 HB2 LYS A 8 -1.195 2.467 7.510 1.00 0.44 H new ATOM 0 HB3 LYS A 8 -0.842 2.107 5.831 1.00 0.44 H new ATOM 0 HG2 LYS A 8 -2.626 0.649 6.707 1.00 0.50 H new ATOM 0 HG3 LYS A 8 -1.228 -0.286 6.216 1.00 0.50 H new ATOM 0 HD2 LYS A 8 -0.450 -0.392 8.569 1.00 0.57 H new ATOM 0 HD3 LYS A 8 -1.812 0.587 9.077 1.00 0.57 H new ATOM 0 HE2 LYS A 8 -3.385 -1.164 8.320 1.00 1.01 H new ATOM 0 HE3 LYS A 8 -2.050 -2.135 7.732 1.00 1.01 H new ATOM 0 HZ1 LYS A 8 -2.775 -2.868 9.908 1.00 1.41 H new ATOM 0 HZ2 LYS A 8 -1.188 -2.271 9.997 1.00 1.41 H new ATOM 0 HZ3 LYS A 8 -2.482 -1.330 10.566 1.00 1.41 H new ATOM 127 N THR A 9 1.438 -0.613 6.392 1.00 0.33 N ATOM 128 CA THR A 9 1.997 -1.570 5.465 1.00 0.32 C ATOM 129 C THR A 9 0.939 -2.606 5.089 1.00 0.35 C ATOM 130 O THR A 9 0.096 -2.970 5.910 1.00 0.39 O ATOM 131 CB THR A 9 3.239 -2.260 6.072 1.00 0.33 C ATOM 132 OG1 THR A 9 4.345 -1.354 6.090 1.00 0.40 O ATOM 133 CG2 THR A 9 3.619 -3.523 5.311 1.00 0.33 C ATOM 0 H THR A 9 1.088 -1.027 7.256 1.00 0.33 H new ATOM 0 HA THR A 9 2.312 -1.042 4.565 1.00 0.32 H new ATOM 0 HB THR A 9 2.985 -2.551 7.091 1.00 0.33 H new ATOM 0 HG1 THR A 9 5.042 -1.676 5.481 1.00 0.40 H new ATOM 0 HG21 THR A 9 4.497 -3.975 5.772 1.00 0.33 H new ATOM 0 HG22 THR A 9 2.789 -4.229 5.341 1.00 0.33 H new ATOM 0 HG23 THR A 9 3.843 -3.270 4.275 1.00 0.33 H new ATOM 141 N TYR A 10 0.979 -3.053 3.844 1.00 0.37 N ATOM 142 CA TYR A 10 0.044 -4.041 3.353 1.00 0.42 C ATOM 143 C TYR A 10 0.742 -5.253 2.811 1.00 0.38 C ATOM 144 O TYR A 10 1.702 -5.162 2.046 1.00 0.35 O ATOM 145 CB TYR A 10 -0.879 -3.439 2.305 1.00 0.47 C ATOM 146 CG TYR A 10 -2.009 -2.685 2.938 1.00 0.60 C ATOM 147 CD1 TYR A 10 -2.961 -3.363 3.678 1.00 0.70 C ATOM 148 CD2 TYR A 10 -2.114 -1.313 2.823 1.00 0.68 C ATOM 149 CE1 TYR A 10 -3.994 -2.698 4.285 1.00 0.84 C ATOM 150 CE2 TYR A 10 -3.149 -0.630 3.434 1.00 0.82 C ATOM 151 CZ TYR A 10 -4.090 -1.329 4.164 1.00 0.91 C ATOM 152 OH TYR A 10 -5.126 -0.660 4.775 1.00 1.06 O ATOM 0 H TYR A 10 1.659 -2.740 3.151 1.00 0.37 H new ATOM 0 HA TYR A 10 -0.559 -4.365 4.202 1.00 0.42 H new ATOM 0 HB2 TYR A 10 -0.311 -2.770 1.659 1.00 0.47 H new ATOM 0 HB3 TYR A 10 -1.278 -4.231 1.672 1.00 0.47 H new ATOM 0 HD1 TYR A 10 -2.889 -4.436 3.779 1.00 0.70 H new ATOM 0 HD2 TYR A 10 -1.379 -0.767 2.249 1.00 0.68 H new ATOM 0 HE1 TYR A 10 -4.730 -3.245 4.856 1.00 0.84 H new ATOM 0 HE2 TYR A 10 -3.221 0.444 3.341 1.00 0.82 H new ATOM 0 HH TYR A 10 -5.823 -0.463 4.115 1.00 1.06 H new ATOM 162 N ASP A 11 0.238 -6.390 3.231 1.00 0.42 N ATOM 163 CA ASP A 11 0.775 -7.667 2.813 1.00 0.42 C ATOM 164 C ASP A 11 -0.067 -8.205 1.680 1.00 0.39 C ATOM 165 O ASP A 11 -1.266 -8.416 1.826 1.00 0.40 O ATOM 166 CB ASP A 11 0.806 -8.668 3.968 1.00 0.52 C ATOM 167 CG ASP A 11 1.672 -8.213 5.124 1.00 1.25 C ATOM 168 OD1 ASP A 11 2.877 -8.533 5.134 1.00 1.94 O ATOM 169 OD2 ASP A 11 1.137 -7.559 6.042 1.00 1.69 O ATOM 0 H ASP A 11 -0.554 -6.458 3.870 1.00 0.42 H new ATOM 0 HA ASP A 11 1.803 -7.522 2.480 1.00 0.42 H new ATOM 0 HB2 ASP A 11 -0.210 -8.833 4.326 1.00 0.52 H new ATOM 0 HB3 ASP A 11 1.174 -9.626 3.601 1.00 0.52 H new ATOM 174 N LEU A 12 0.596 -8.438 0.573 1.00 0.38 N ATOM 175 CA LEU A 12 -0.041 -8.839 -0.688 1.00 0.41 C ATOM 176 C LEU A 12 -0.654 -10.229 -0.613 1.00 0.54 C ATOM 177 O LEU A 12 -1.312 -10.666 -1.559 1.00 1.50 O ATOM 178 CB LEU A 12 0.990 -8.811 -1.813 1.00 0.40 C ATOM 179 CG LEU A 12 1.200 -7.455 -2.496 1.00 0.46 C ATOM 180 CD1 LEU A 12 0.248 -7.296 -3.666 1.00 1.04 C ATOM 181 CD2 LEU A 12 1.015 -6.302 -1.519 1.00 1.04 C ATOM 0 H LEU A 12 1.611 -8.357 0.507 1.00 0.38 H new ATOM 0 HA LEU A 12 -0.846 -8.130 -0.883 1.00 0.41 H new ATOM 0 HB2 LEU A 12 1.946 -9.146 -1.411 1.00 0.40 H new ATOM 0 HB3 LEU A 12 0.692 -9.535 -2.571 1.00 0.40 H new ATOM 0 HG LEU A 12 2.226 -7.429 -2.862 1.00 0.46 H new ATOM 0 HD11 LEU A 12 0.411 -6.328 -4.139 1.00 1.04 H new ATOM 0 HD12 LEU A 12 0.428 -8.089 -4.392 1.00 1.04 H new ATOM 0 HD13 LEU A 12 -0.780 -7.357 -3.309 1.00 1.04 H new ATOM 0 HD21 LEU A 12 1.171 -5.356 -2.038 1.00 1.04 H new ATOM 0 HD22 LEU A 12 0.005 -6.329 -1.111 1.00 1.04 H new ATOM 0 HD23 LEU A 12 1.736 -6.394 -0.707 1.00 1.04 H new ATOM 193 N GLN A 13 -0.342 -10.932 0.476 1.00 0.65 N ATOM 194 CA GLN A 13 -0.890 -12.262 0.789 1.00 0.62 C ATOM 195 C GLN A 13 0.066 -13.335 0.272 1.00 0.62 C ATOM 196 O GLN A 13 0.089 -14.466 0.760 1.00 0.74 O ATOM 197 CB GLN A 13 -2.306 -12.466 0.226 1.00 0.69 C ATOM 198 CG GLN A 13 -2.939 -13.797 0.602 1.00 0.89 C ATOM 199 CD GLN A 13 -4.326 -13.971 0.017 1.00 1.08 C ATOM 200 OE1 GLN A 13 -4.488 -14.488 -1.089 1.00 1.68 O ATOM 201 NE2 GLN A 13 -5.338 -13.555 0.759 1.00 1.61 N ATOM 0 H GLN A 13 0.311 -10.591 1.182 1.00 0.65 H new ATOM 0 HA GLN A 13 -0.981 -12.343 1.872 1.00 0.62 H new ATOM 0 HB2 GLN A 13 -2.946 -11.658 0.581 1.00 0.69 H new ATOM 0 HB3 GLN A 13 -2.268 -12.388 -0.861 1.00 0.69 H new ATOM 0 HG2 GLN A 13 -2.299 -14.609 0.257 1.00 0.89 H new ATOM 0 HG3 GLN A 13 -2.995 -13.874 1.688 1.00 0.89 H new ATOM 0 HE21 GLN A 13 -5.162 -13.132 1.670 1.00 1.61 H new ATOM 0 HE22 GLN A 13 -6.295 -13.657 0.420 1.00 1.61 H new ATOM 210 N ASP A 14 0.881 -12.957 -0.706 1.00 0.55 N ATOM 211 CA ASP A 14 1.894 -13.854 -1.248 1.00 0.64 C ATOM 212 C ASP A 14 3.226 -13.580 -0.573 1.00 0.54 C ATOM 213 O ASP A 14 4.015 -14.490 -0.327 1.00 0.70 O ATOM 214 CB ASP A 14 2.029 -13.676 -2.765 1.00 0.80 C ATOM 215 CG ASP A 14 2.995 -14.677 -3.381 1.00 1.46 C ATOM 216 OD1 ASP A 14 4.216 -14.424 -3.371 1.00 1.98 O ATOM 217 OD2 ASP A 14 2.535 -15.720 -3.886 1.00 2.11 O ATOM 0 H ASP A 14 0.860 -12.034 -1.140 1.00 0.55 H new ATOM 0 HA ASP A 14 1.589 -14.882 -1.053 1.00 0.64 H new ATOM 0 HB2 ASP A 14 1.049 -13.787 -3.230 1.00 0.80 H new ATOM 0 HB3 ASP A 14 2.372 -12.664 -2.981 1.00 0.80 H new ATOM 222 N GLY A 15 3.461 -12.316 -0.260 1.00 0.55 N ATOM 223 CA GLY A 15 4.680 -11.944 0.421 1.00 0.73 C ATOM 224 C GLY A 15 5.073 -10.507 0.180 1.00 0.75 C ATOM 225 O GLY A 15 5.696 -9.884 1.035 1.00 1.28 O ATOM 0 H GLY A 15 2.829 -11.542 -0.466 1.00 0.55 H new ATOM 0 HA2 GLY A 15 4.556 -12.107 1.492 1.00 0.73 H new ATOM 0 HA3 GLY A 15 5.488 -12.597 0.091 1.00 0.73 H new ATOM 229 N SER A 16 4.729 -9.991 -0.994 1.00 0.37 N ATOM 230 CA SER A 16 5.050 -8.618 -1.347 1.00 0.35 C ATOM 231 C SER A 16 4.449 -7.655 -0.327 1.00 0.29 C ATOM 232 O SER A 16 3.340 -7.872 0.168 1.00 0.33 O ATOM 233 CB SER A 16 4.522 -8.314 -2.745 1.00 0.44 C ATOM 234 OG SER A 16 4.504 -9.496 -3.534 1.00 1.07 O ATOM 0 H SER A 16 4.227 -10.506 -1.717 1.00 0.37 H new ATOM 0 HA SER A 16 6.132 -8.489 -1.341 1.00 0.35 H new ATOM 0 HB2 SER A 16 3.517 -7.898 -2.679 1.00 0.44 H new ATOM 0 HB3 SER A 16 5.149 -7.560 -3.222 1.00 0.44 H new ATOM 0 HG SER A 16 4.161 -9.287 -4.428 1.00 1.07 H new ATOM 240 N LYS A 17 5.190 -6.612 -0.002 1.00 0.26 N ATOM 241 CA LYS A 17 4.780 -5.682 1.032 1.00 0.28 C ATOM 242 C LYS A 17 4.679 -4.268 0.486 1.00 0.30 C ATOM 243 O LYS A 17 5.619 -3.758 -0.111 1.00 0.43 O ATOM 244 CB LYS A 17 5.787 -5.714 2.180 1.00 0.31 C ATOM 245 CG LYS A 17 5.939 -7.082 2.814 1.00 0.71 C ATOM 246 CD LYS A 17 6.935 -7.060 3.955 1.00 0.66 C ATOM 247 CE LYS A 17 6.983 -8.405 4.660 1.00 0.84 C ATOM 248 NZ LYS A 17 7.978 -8.426 5.761 1.00 1.84 N ATOM 0 H LYS A 17 6.083 -6.388 -0.442 1.00 0.26 H new ATOM 0 HA LYS A 17 3.797 -5.983 1.393 1.00 0.28 H new ATOM 0 HB2 LYS A 17 6.758 -5.384 1.810 1.00 0.31 H new ATOM 0 HB3 LYS A 17 5.478 -5.001 2.944 1.00 0.31 H new ATOM 0 HG2 LYS A 17 4.971 -7.423 3.182 1.00 0.71 H new ATOM 0 HG3 LYS A 17 6.264 -7.799 2.060 1.00 0.71 H new ATOM 0 HD2 LYS A 17 7.925 -6.809 3.574 1.00 0.66 H new ATOM 0 HD3 LYS A 17 6.661 -6.281 4.667 1.00 0.66 H new ATOM 0 HE2 LYS A 17 5.996 -8.639 5.060 1.00 0.84 H new ATOM 0 HE3 LYS A 17 7.227 -9.184 3.937 1.00 0.84 H new ATOM 0 HZ1 LYS A 17 7.976 -9.363 6.213 1.00 1.84 H new ATOM 0 HZ2 LYS A 17 8.924 -8.229 5.377 1.00 1.84 H new ATOM 0 HZ3 LYS A 17 7.732 -7.701 6.465 1.00 1.84 H new ATOM 262 N VAL A 18 3.543 -3.635 0.701 1.00 0.28 N ATOM 263 CA VAL A 18 3.350 -2.256 0.300 1.00 0.30 C ATOM 264 C VAL A 18 3.353 -1.374 1.531 1.00 0.31 C ATOM 265 O VAL A 18 2.808 -1.746 2.559 1.00 0.41 O ATOM 266 CB VAL A 18 2.018 -2.080 -0.459 1.00 0.35 C ATOM 267 CG1 VAL A 18 1.740 -0.614 -0.755 1.00 0.39 C ATOM 268 CG2 VAL A 18 2.045 -2.880 -1.747 1.00 0.36 C ATOM 0 H VAL A 18 2.734 -4.058 1.155 1.00 0.28 H new ATOM 0 HA VAL A 18 4.163 -1.971 -0.368 1.00 0.30 H new ATOM 0 HB VAL A 18 1.214 -2.451 0.177 1.00 0.35 H new ATOM 0 HG11 VAL A 18 0.795 -0.524 -1.290 1.00 0.39 H new ATOM 0 HG12 VAL A 18 1.681 -0.059 0.181 1.00 0.39 H new ATOM 0 HG13 VAL A 18 2.544 -0.208 -1.368 1.00 0.39 H new ATOM 0 HG21 VAL A 18 1.101 -2.750 -2.276 1.00 0.36 H new ATOM 0 HG22 VAL A 18 2.864 -2.530 -2.375 1.00 0.36 H new ATOM 0 HG23 VAL A 18 2.189 -3.936 -1.517 1.00 0.36 H new ATOM 278 N HIS A 19 4.001 -0.234 1.454 1.00 0.29 N ATOM 279 CA HIS A 19 3.977 0.705 2.556 1.00 0.29 C ATOM 280 C HIS A 19 3.549 2.053 2.060 1.00 0.30 C ATOM 281 O HIS A 19 4.056 2.531 1.055 1.00 0.34 O ATOM 282 CB HIS A 19 5.341 0.874 3.222 1.00 0.32 C ATOM 283 CG HIS A 19 6.167 -0.363 3.344 1.00 0.32 C ATOM 284 ND1 HIS A 19 5.678 -1.590 3.716 1.00 0.67 N ATOM 285 CD2 HIS A 19 7.478 -0.531 3.131 1.00 0.37 C ATOM 286 CE1 HIS A 19 6.663 -2.469 3.719 1.00 0.66 C ATOM 287 NE2 HIS A 19 7.769 -1.848 3.367 1.00 0.41 N ATOM 0 H HIS A 19 4.548 0.066 0.647 1.00 0.29 H new ATOM 0 HA HIS A 19 3.279 0.301 3.289 1.00 0.29 H new ATOM 0 HB2 HIS A 19 5.910 1.613 2.657 1.00 0.32 H new ATOM 0 HB3 HIS A 19 5.188 1.285 4.220 1.00 0.32 H new ATOM 0 HD2 HIS A 19 8.179 0.233 2.828 1.00 0.37 H new ATOM 0 HE1 HIS A 19 6.576 -3.516 3.967 1.00 0.66 H new ATOM 0 HE2 HIS A 19 8.691 -2.277 3.284 1.00 0.41 H new ATOM 296 N VAL A 20 2.630 2.663 2.762 1.00 0.31 N ATOM 297 CA VAL A 20 2.300 4.037 2.498 1.00 0.33 C ATOM 298 C VAL A 20 2.975 4.865 3.566 1.00 0.32 C ATOM 299 O VAL A 20 2.787 4.636 4.764 1.00 0.33 O ATOM 300 CB VAL A 20 0.786 4.293 2.458 1.00 0.40 C ATOM 301 CG1 VAL A 20 0.494 5.768 2.188 1.00 0.56 C ATOM 302 CG2 VAL A 20 0.148 3.416 1.391 1.00 0.81 C ATOM 0 H VAL A 20 2.099 2.231 3.518 1.00 0.31 H new ATOM 0 HA VAL A 20 2.655 4.314 1.505 1.00 0.33 H new ATOM 0 HB VAL A 20 0.359 4.040 3.428 1.00 0.40 H new ATOM 0 HG11 VAL A 20 -0.584 5.927 2.164 1.00 0.56 H new ATOM 0 HG12 VAL A 20 0.933 6.376 2.979 1.00 0.56 H new ATOM 0 HG13 VAL A 20 0.925 6.054 1.229 1.00 0.56 H new ATOM 0 HG21 VAL A 20 -0.926 3.599 1.364 1.00 0.81 H new ATOM 0 HG22 VAL A 20 0.581 3.653 0.419 1.00 0.81 H new ATOM 0 HG23 VAL A 20 0.332 2.367 1.624 1.00 0.81 H new ATOM 312 N PHE A 21 3.797 5.783 3.132 1.00 0.34 N ATOM 313 CA PHE A 21 4.669 6.497 4.023 1.00 0.37 C ATOM 314 C PHE A 21 4.013 7.778 4.506 1.00 0.39 C ATOM 315 O PHE A 21 3.133 8.328 3.847 1.00 0.40 O ATOM 316 CB PHE A 21 5.998 6.779 3.326 1.00 0.40 C ATOM 317 CG PHE A 21 6.772 5.526 2.985 1.00 0.41 C ATOM 318 CD1 PHE A 21 6.530 4.852 1.797 1.00 0.37 C ATOM 319 CD2 PHE A 21 7.741 5.017 3.843 1.00 0.58 C ATOM 320 CE1 PHE A 21 7.230 3.706 1.477 1.00 0.39 C ATOM 321 CE2 PHE A 21 8.441 3.870 3.522 1.00 0.64 C ATOM 322 CZ PHE A 21 8.207 3.219 2.376 1.00 0.51 C ATOM 0 H PHE A 21 3.880 6.056 2.153 1.00 0.34 H new ATOM 0 HA PHE A 21 4.864 5.882 4.901 1.00 0.37 H new ATOM 0 HB2 PHE A 21 5.809 7.341 2.411 1.00 0.40 H new ATOM 0 HB3 PHE A 21 6.610 7.412 3.968 1.00 0.40 H new ATOM 0 HD1 PHE A 21 5.784 5.229 1.113 1.00 0.37 H new ATOM 0 HD2 PHE A 21 7.949 5.525 4.773 1.00 0.58 H new ATOM 0 HE1 PHE A 21 7.034 3.187 0.550 1.00 0.39 H new ATOM 0 HE2 PHE A 21 9.188 3.493 4.205 1.00 0.64 H new ATOM 0 HZ PHE A 21 8.763 2.324 2.139 1.00 0.51 H new ATOM 332 N LYS A 22 4.454 8.236 5.659 1.00 0.44 N ATOM 333 CA LYS A 22 3.871 9.390 6.330 1.00 0.50 C ATOM 334 C LYS A 22 4.105 10.682 5.543 1.00 0.52 C ATOM 335 O LYS A 22 3.560 11.735 5.873 1.00 0.57 O ATOM 336 CB LYS A 22 4.475 9.504 7.729 1.00 0.61 C ATOM 337 CG LYS A 22 5.951 9.820 7.724 1.00 1.37 C ATOM 338 CD LYS A 22 6.455 10.115 9.125 1.00 1.46 C ATOM 339 CE LYS A 22 7.921 10.516 9.119 1.00 2.02 C ATOM 340 NZ LYS A 22 8.393 10.896 10.474 1.00 2.87 N ATOM 0 H LYS A 22 5.234 7.817 6.165 1.00 0.44 H new ATOM 0 HA LYS A 22 2.793 9.246 6.397 1.00 0.50 H new ATOM 0 HB2 LYS A 22 3.947 10.281 8.282 1.00 0.61 H new ATOM 0 HB3 LYS A 22 4.314 8.568 8.263 1.00 0.61 H new ATOM 0 HG2 LYS A 22 6.504 8.979 7.306 1.00 1.37 H new ATOM 0 HG3 LYS A 22 6.139 10.678 7.079 1.00 1.37 H new ATOM 0 HD2 LYS A 22 5.860 10.915 9.565 1.00 1.46 H new ATOM 0 HD3 LYS A 22 6.320 9.235 9.754 1.00 1.46 H new ATOM 0 HE2 LYS A 22 8.523 9.689 8.743 1.00 2.02 H new ATOM 0 HE3 LYS A 22 8.066 11.352 8.435 1.00 2.02 H new ATOM 0 HZ1 LYS A 22 9.397 11.163 10.430 1.00 2.87 H new ATOM 0 HZ2 LYS A 22 7.835 11.702 10.823 1.00 2.87 H new ATOM 0 HZ3 LYS A 22 8.278 10.090 11.121 1.00 2.87 H new ATOM 354 N ASP A 23 4.926 10.592 4.506 1.00 0.54 N ATOM 355 CA ASP A 23 5.224 11.726 3.654 1.00 0.61 C ATOM 356 C ASP A 23 4.261 11.725 2.496 1.00 0.59 C ATOM 357 O ASP A 23 4.314 12.577 1.612 1.00 0.67 O ATOM 358 CB ASP A 23 6.664 11.658 3.150 1.00 0.68 C ATOM 359 CG ASP A 23 7.669 11.639 4.281 1.00 1.29 C ATOM 360 OD1 ASP A 23 8.006 12.720 4.799 1.00 1.91 O ATOM 361 OD2 ASP A 23 8.131 10.539 4.652 1.00 1.97 O ATOM 0 H ASP A 23 5.401 9.731 4.235 1.00 0.54 H new ATOM 0 HA ASP A 23 5.115 12.649 4.224 1.00 0.61 H new ATOM 0 HB2 ASP A 23 6.791 10.764 2.539 1.00 0.68 H new ATOM 0 HB3 ASP A 23 6.862 12.515 2.506 1.00 0.68 H new ATOM 366 N GLY A 24 3.376 10.747 2.513 1.00 0.53 N ATOM 367 CA GLY A 24 2.335 10.681 1.538 1.00 0.53 C ATOM 368 C GLY A 24 2.640 9.761 0.379 1.00 0.53 C ATOM 369 O GLY A 24 1.741 9.417 -0.387 1.00 0.58 O ATOM 0 H GLY A 24 3.368 9.991 3.198 1.00 0.53 H new ATOM 0 HA2 GLY A 24 1.417 10.347 2.022 1.00 0.53 H new ATOM 0 HA3 GLY A 24 2.146 11.683 1.154 1.00 0.53 H new ATOM 373 N LYS A 25 3.895 9.350 0.233 1.00 0.50 N ATOM 374 CA LYS A 25 4.261 8.460 -0.849 1.00 0.51 C ATOM 375 C LYS A 25 4.090 7.023 -0.400 1.00 0.42 C ATOM 376 O LYS A 25 3.605 6.767 0.699 1.00 0.41 O ATOM 377 CB LYS A 25 5.703 8.701 -1.306 1.00 0.62 C ATOM 378 CG LYS A 25 5.946 10.103 -1.835 1.00 0.94 C ATOM 379 CD LYS A 25 6.571 11.008 -0.785 1.00 1.49 C ATOM 380 CE LYS A 25 7.990 10.576 -0.439 1.00 1.50 C ATOM 381 NZ LYS A 25 8.883 10.583 -1.631 1.00 1.74 N ATOM 0 H LYS A 25 4.665 9.619 0.846 1.00 0.50 H new ATOM 0 HA LYS A 25 3.606 8.661 -1.697 1.00 0.51 H new ATOM 0 HB2 LYS A 25 6.376 8.516 -0.469 1.00 0.62 H new ATOM 0 HB3 LYS A 25 5.954 7.980 -2.083 1.00 0.62 H new ATOM 0 HG2 LYS A 25 6.599 10.054 -2.706 1.00 0.94 H new ATOM 0 HG3 LYS A 25 5.002 10.533 -2.169 1.00 0.94 H new ATOM 0 HD2 LYS A 25 6.582 12.035 -1.150 1.00 1.49 H new ATOM 0 HD3 LYS A 25 5.958 10.997 0.116 1.00 1.49 H new ATOM 0 HE2 LYS A 25 8.396 11.242 0.322 1.00 1.50 H new ATOM 0 HE3 LYS A 25 7.969 9.575 -0.008 1.00 1.50 H new ATOM 0 HZ1 LYS A 25 9.875 10.552 -1.322 1.00 1.74 H new ATOM 0 HZ2 LYS A 25 8.678 9.753 -2.223 1.00 1.74 H new ATOM 0 HZ3 LYS A 25 8.720 11.450 -2.182 1.00 1.74 H new ATOM 395 N MET A 26 4.488 6.090 -1.234 1.00 0.42 N ATOM 396 CA MET A 26 4.330 4.691 -0.922 1.00 0.41 C ATOM 397 C MET A 26 5.394 3.872 -1.635 1.00 0.42 C ATOM 398 O MET A 26 5.927 4.287 -2.666 1.00 0.49 O ATOM 399 CB MET A 26 2.923 4.212 -1.277 1.00 0.47 C ATOM 400 CG MET A 26 2.655 4.061 -2.756 1.00 0.73 C ATOM 401 SD MET A 26 2.926 5.570 -3.717 1.00 1.07 S ATOM 402 CE MET A 26 1.657 6.648 -3.055 1.00 0.76 C ATOM 0 H MET A 26 4.925 6.277 -2.136 1.00 0.42 H new ATOM 0 HA MET A 26 4.460 4.553 0.151 1.00 0.41 H new ATOM 0 HB2 MET A 26 2.749 3.252 -0.791 1.00 0.47 H new ATOM 0 HB3 MET A 26 2.201 4.915 -0.862 1.00 0.47 H new ATOM 0 HG2 MET A 26 3.295 3.272 -3.151 1.00 0.73 H new ATOM 0 HG3 MET A 26 1.624 3.735 -2.896 1.00 0.73 H new ATOM 0 HE1 MET A 26 2.061 7.653 -2.931 1.00 0.76 H new ATOM 0 HE2 MET A 26 0.812 6.679 -3.742 1.00 0.76 H new ATOM 0 HE3 MET A 26 1.325 6.269 -2.089 1.00 0.76 H new ATOM 412 N GLY A 27 5.714 2.725 -1.072 1.00 0.39 N ATOM 413 CA GLY A 27 6.772 1.902 -1.609 1.00 0.39 C ATOM 414 C GLY A 27 6.437 0.433 -1.506 1.00 0.32 C ATOM 415 O GLY A 27 5.681 0.033 -0.621 1.00 0.33 O ATOM 0 H GLY A 27 5.256 2.344 -0.244 1.00 0.39 H new ATOM 0 HA2 GLY A 27 6.944 2.165 -2.653 1.00 0.39 H new ATOM 0 HA3 GLY A 27 7.699 2.103 -1.072 1.00 0.39 H new ATOM 419 N MET A 28 6.999 -0.374 -2.388 1.00 0.28 N ATOM 420 CA MET A 28 6.654 -1.785 -2.437 1.00 0.27 C ATOM 421 C MET A 28 7.897 -2.671 -2.335 1.00 0.26 C ATOM 422 O MET A 28 8.948 -2.369 -2.908 1.00 0.31 O ATOM 423 CB MET A 28 5.880 -2.076 -3.727 1.00 0.34 C ATOM 424 CG MET A 28 5.233 -3.452 -3.772 1.00 0.45 C ATOM 425 SD MET A 28 4.204 -3.680 -5.237 1.00 0.87 S ATOM 426 CE MET A 28 3.666 -5.371 -5.008 1.00 0.72 C ATOM 0 H MET A 28 7.692 -0.080 -3.076 1.00 0.28 H new ATOM 0 HA MET A 28 6.024 -2.018 -1.579 1.00 0.27 H new ATOM 0 HB2 MET A 28 5.106 -1.319 -3.851 1.00 0.34 H new ATOM 0 HB3 MET A 28 6.559 -1.979 -4.574 1.00 0.34 H new ATOM 0 HG2 MET A 28 6.010 -4.217 -3.754 1.00 0.45 H new ATOM 0 HG3 MET A 28 4.625 -3.594 -2.878 1.00 0.45 H new ATOM 0 HE1 MET A 28 3.019 -5.662 -5.835 1.00 0.72 H new ATOM 0 HE2 MET A 28 4.535 -6.028 -4.978 1.00 0.72 H new ATOM 0 HE3 MET A 28 3.116 -5.454 -4.071 1.00 0.72 H new ATOM 436 N GLU A 29 7.760 -3.752 -1.586 1.00 0.24 N ATOM 437 CA GLU A 29 8.827 -4.721 -1.391 1.00 0.26 C ATOM 438 C GLU A 29 8.345 -6.092 -1.811 1.00 0.27 C ATOM 439 O GLU A 29 7.147 -6.360 -1.819 1.00 0.29 O ATOM 440 CB GLU A 29 9.274 -4.774 0.077 1.00 0.34 C ATOM 441 CG GLU A 29 10.338 -3.753 0.434 1.00 0.47 C ATOM 442 CD GLU A 29 10.639 -3.720 1.918 1.00 0.56 C ATOM 443 OE1 GLU A 29 9.975 -2.952 2.643 1.00 0.68 O ATOM 444 OE2 GLU A 29 11.535 -4.462 2.366 1.00 1.14 O ATOM 0 H GLU A 29 6.898 -3.984 -1.092 1.00 0.24 H new ATOM 0 HA GLU A 29 9.678 -4.414 -1.999 1.00 0.26 H new ATOM 0 HB2 GLU A 29 8.405 -4.618 0.717 1.00 0.34 H new ATOM 0 HB3 GLU A 29 9.655 -5.772 0.295 1.00 0.34 H new ATOM 0 HG2 GLU A 29 11.253 -3.980 -0.114 1.00 0.47 H new ATOM 0 HG3 GLU A 29 10.011 -2.765 0.111 1.00 0.47 H new ATOM 451 N ASN A 30 9.272 -6.951 -2.166 1.00 0.32 N ATOM 452 CA ASN A 30 8.942 -8.320 -2.500 1.00 0.39 C ATOM 453 C ASN A 30 9.103 -9.192 -1.263 1.00 0.42 C ATOM 454 O ASN A 30 9.770 -8.792 -0.315 1.00 0.42 O ATOM 455 CB ASN A 30 9.836 -8.822 -3.628 1.00 0.47 C ATOM 456 CG ASN A 30 9.377 -10.144 -4.190 1.00 0.79 C ATOM 457 OD1 ASN A 30 8.191 -10.466 -4.191 1.00 1.41 O ATOM 458 ND2 ASN A 30 10.328 -10.912 -4.661 1.00 1.12 N ATOM 0 H ASN A 30 10.265 -6.726 -2.232 1.00 0.32 H new ATOM 0 HA ASN A 30 7.908 -8.369 -2.841 1.00 0.39 H new ATOM 0 HB2 ASN A 30 9.858 -8.080 -4.426 1.00 0.47 H new ATOM 0 HB3 ASN A 30 10.857 -8.923 -3.259 1.00 0.47 H new ATOM 0 HD21 ASN A 30 10.099 -11.826 -5.053 1.00 1.12 H new ATOM 0 HD22 ASN A 30 11.298 -10.596 -4.636 1.00 1.12 H new ATOM 465 N LYS A 31 8.463 -10.353 -1.271 1.00 0.48 N ATOM 466 CA LYS A 31 8.511 -11.306 -0.155 1.00 0.54 C ATOM 467 C LYS A 31 9.930 -11.600 0.358 1.00 0.58 C ATOM 468 O LYS A 31 10.102 -11.988 1.511 1.00 0.69 O ATOM 469 CB LYS A 31 7.815 -12.597 -0.572 1.00 0.62 C ATOM 470 CG LYS A 31 8.480 -13.350 -1.706 1.00 0.66 C ATOM 471 CD LYS A 31 7.486 -14.282 -2.378 1.00 0.78 C ATOM 472 CE LYS A 31 6.947 -15.333 -1.419 1.00 1.32 C ATOM 473 NZ LYS A 31 5.893 -16.163 -2.057 1.00 1.77 N ATOM 0 H LYS A 31 7.890 -10.668 -2.054 1.00 0.48 H new ATOM 0 HA LYS A 31 7.992 -10.841 0.683 1.00 0.54 H new ATOM 0 HB2 LYS A 31 7.756 -13.255 0.295 1.00 0.62 H new ATOM 0 HB3 LYS A 31 6.792 -12.361 -0.864 1.00 0.62 H new ATOM 0 HG2 LYS A 31 8.877 -12.644 -2.436 1.00 0.66 H new ATOM 0 HG3 LYS A 31 9.325 -13.923 -1.324 1.00 0.66 H new ATOM 0 HD2 LYS A 31 6.657 -13.699 -2.779 1.00 0.78 H new ATOM 0 HD3 LYS A 31 7.967 -14.775 -3.223 1.00 0.78 H new ATOM 0 HE2 LYS A 31 7.763 -15.974 -1.084 1.00 1.32 H new ATOM 0 HE3 LYS A 31 6.541 -14.845 -0.533 1.00 1.32 H new ATOM 0 HZ1 LYS A 31 5.268 -16.554 -1.324 1.00 1.77 H new ATOM 0 HZ2 LYS A 31 5.336 -15.575 -2.710 1.00 1.77 H new ATOM 0 HZ3 LYS A 31 6.336 -16.942 -2.585 1.00 1.77 H new ATOM 487 N PHE A 32 10.942 -11.403 -0.478 1.00 0.58 N ATOM 488 CA PHE A 32 12.318 -11.670 -0.066 1.00 0.63 C ATOM 489 C PHE A 32 12.937 -10.418 0.536 1.00 0.56 C ATOM 490 O PHE A 32 14.084 -10.428 0.984 1.00 0.62 O ATOM 491 CB PHE A 32 13.163 -12.144 -1.246 1.00 0.69 C ATOM 492 CG PHE A 32 12.520 -13.238 -2.036 1.00 0.80 C ATOM 493 CD1 PHE A 32 12.615 -14.564 -1.650 1.00 0.95 C ATOM 494 CD2 PHE A 32 11.807 -12.929 -3.170 1.00 0.83 C ATOM 495 CE1 PHE A 32 12.002 -15.558 -2.390 1.00 1.08 C ATOM 496 CE2 PHE A 32 11.193 -13.906 -3.916 1.00 0.96 C ATOM 497 CZ PHE A 32 11.289 -15.228 -3.528 1.00 1.07 C ATOM 0 H PHE A 32 10.840 -11.063 -1.434 1.00 0.58 H new ATOM 0 HA PHE A 32 12.297 -12.461 0.684 1.00 0.63 H new ATOM 0 HB2 PHE A 32 13.360 -11.298 -1.905 1.00 0.69 H new ATOM 0 HB3 PHE A 32 14.127 -12.492 -0.876 1.00 0.69 H new ATOM 0 HD1 PHE A 32 13.173 -14.824 -0.763 1.00 0.95 H new ATOM 0 HD2 PHE A 32 11.728 -11.898 -3.481 1.00 0.83 H new ATOM 0 HE1 PHE A 32 12.080 -16.590 -2.080 1.00 1.08 H new ATOM 0 HE2 PHE A 32 10.637 -13.641 -4.803 1.00 0.96 H new ATOM 0 HZ PHE A 32 10.809 -16.001 -4.111 1.00 1.07 H new ATOM 507 N GLY A 33 12.177 -9.332 0.533 1.00 0.49 N ATOM 508 CA GLY A 33 12.642 -8.099 1.126 1.00 0.49 C ATOM 509 C GLY A 33 13.307 -7.203 0.116 1.00 0.45 C ATOM 510 O GLY A 33 14.172 -6.398 0.456 1.00 0.54 O ATOM 0 H GLY A 33 11.242 -9.285 0.128 1.00 0.49 H new ATOM 0 HA2 GLY A 33 11.800 -7.574 1.578 1.00 0.49 H new ATOM 0 HA3 GLY A 33 13.344 -8.325 1.928 1.00 0.49 H new ATOM 514 N LYS A 34 12.919 -7.356 -1.135 1.00 0.42 N ATOM 515 CA LYS A 34 13.529 -6.590 -2.202 1.00 0.52 C ATOM 516 C LYS A 34 12.672 -5.426 -2.616 1.00 0.38 C ATOM 517 O LYS A 34 11.459 -5.540 -2.771 1.00 0.72 O ATOM 518 CB LYS A 34 13.824 -7.477 -3.399 1.00 0.85 C ATOM 519 CG LYS A 34 14.904 -8.493 -3.113 1.00 1.17 C ATOM 520 CD LYS A 34 16.280 -7.852 -3.081 1.00 1.92 C ATOM 521 CE LYS A 34 17.379 -8.888 -2.912 1.00 2.73 C ATOM 522 NZ LYS A 34 18.720 -8.259 -2.822 1.00 3.25 N ATOM 0 H LYS A 34 12.188 -8.001 -1.436 1.00 0.42 H new ATOM 0 HA LYS A 34 14.468 -6.191 -1.817 1.00 0.52 H new ATOM 0 HB2 LYS A 34 12.912 -7.995 -3.697 1.00 0.85 H new ATOM 0 HB3 LYS A 34 14.128 -6.856 -4.242 1.00 0.85 H new ATOM 0 HG2 LYS A 34 14.705 -8.977 -2.157 1.00 1.17 H new ATOM 0 HG3 LYS A 34 14.883 -9.272 -3.875 1.00 1.17 H new ATOM 0 HD2 LYS A 34 16.444 -7.295 -4.004 1.00 1.92 H new ATOM 0 HD3 LYS A 34 16.328 -7.134 -2.262 1.00 1.92 H new ATOM 0 HE2 LYS A 34 17.191 -9.474 -2.012 1.00 2.73 H new ATOM 0 HE3 LYS A 34 17.358 -9.581 -3.753 1.00 2.73 H new ATOM 0 HZ1 LYS A 34 19.443 -8.998 -2.707 1.00 3.25 H new ATOM 0 HZ2 LYS A 34 18.910 -7.721 -3.691 1.00 3.25 H new ATOM 0 HZ3 LYS A 34 18.748 -7.617 -2.004 1.00 3.25 H new ATOM 536 N SER A 35 13.333 -4.316 -2.784 1.00 0.46 N ATOM 537 CA SER A 35 12.688 -3.089 -3.194 1.00 0.48 C ATOM 538 C SER A 35 12.439 -3.101 -4.698 1.00 0.58 C ATOM 539 O SER A 35 13.378 -3.059 -5.494 1.00 0.74 O ATOM 540 CB SER A 35 13.552 -1.905 -2.774 1.00 0.69 C ATOM 541 OG SER A 35 14.921 -2.131 -3.082 1.00 1.55 O ATOM 0 H SER A 35 14.339 -4.230 -2.641 1.00 0.46 H new ATOM 0 HA SER A 35 11.718 -2.997 -2.706 1.00 0.48 H new ATOM 0 HB2 SER A 35 13.207 -1.003 -3.279 1.00 0.69 H new ATOM 0 HB3 SER A 35 13.441 -1.733 -1.703 1.00 0.69 H new ATOM 0 HG SER A 35 14.996 -2.507 -3.984 1.00 1.55 H new ATOM 547 N MET A 36 11.176 -3.191 -5.083 1.00 0.58 N ATOM 548 CA MET A 36 10.820 -3.303 -6.489 1.00 0.76 C ATOM 549 C MET A 36 9.795 -2.246 -6.882 1.00 0.87 C ATOM 550 O MET A 36 9.345 -1.465 -6.043 1.00 0.94 O ATOM 551 CB MET A 36 10.323 -4.722 -6.805 1.00 0.81 C ATOM 552 CG MET A 36 9.438 -5.336 -5.729 1.00 1.07 C ATOM 553 SD MET A 36 7.785 -4.623 -5.673 1.00 1.38 S ATOM 554 CE MET A 36 7.100 -5.235 -7.211 1.00 1.15 C ATOM 0 H MET A 36 10.381 -3.189 -4.443 1.00 0.58 H new ATOM 0 HA MET A 36 11.713 -3.121 -7.087 1.00 0.76 H new ATOM 0 HB2 MET A 36 9.769 -4.699 -7.743 1.00 0.81 H new ATOM 0 HB3 MET A 36 11.186 -5.369 -6.961 1.00 0.81 H new ATOM 0 HG2 MET A 36 9.358 -6.409 -5.903 1.00 1.07 H new ATOM 0 HG3 MET A 36 9.915 -5.206 -4.758 1.00 1.07 H new ATOM 0 HE1 MET A 36 6.037 -4.999 -7.255 1.00 1.15 H new ATOM 0 HE2 MET A 36 7.612 -4.764 -8.050 1.00 1.15 H new ATOM 0 HE3 MET A 36 7.234 -6.315 -7.265 1.00 1.15 H new ATOM 564 N ASN A 37 9.445 -2.220 -8.160 1.00 1.03 N ATOM 565 CA ASN A 37 8.595 -1.165 -8.704 1.00 1.17 C ATOM 566 C ASN A 37 7.116 -1.511 -8.580 1.00 0.99 C ATOM 567 O ASN A 37 6.688 -2.616 -8.917 1.00 1.03 O ATOM 568 CB ASN A 37 8.956 -0.883 -10.171 1.00 1.55 C ATOM 569 CG ASN A 37 8.866 -2.111 -11.062 1.00 2.18 C ATOM 570 OD1 ASN A 37 7.818 -2.405 -11.638 1.00 2.78 O ATOM 571 ND2 ASN A 37 9.971 -2.826 -11.195 1.00 2.51 N ATOM 0 H ASN A 37 9.737 -2.919 -8.843 1.00 1.03 H new ATOM 0 HA ASN A 37 8.775 -0.265 -8.116 1.00 1.17 H new ATOM 0 HB2 ASN A 37 8.291 -0.112 -10.559 1.00 1.55 H new ATOM 0 HB3 ASN A 37 9.969 -0.483 -10.218 1.00 1.55 H new ATOM 0 HD21 ASN A 37 9.974 -3.653 -11.791 1.00 2.51 H new ATOM 0 HD22 ASN A 37 10.820 -2.550 -10.701 1.00 2.51 H new ATOM 578 N MET A 38 6.337 -0.549 -8.100 1.00 1.01 N ATOM 579 CA MET A 38 4.904 -0.729 -7.929 1.00 0.99 C ATOM 580 C MET A 38 4.168 -0.265 -9.182 1.00 0.86 C ATOM 581 O MET A 38 4.369 0.857 -9.651 1.00 0.81 O ATOM 582 CB MET A 38 4.419 0.046 -6.696 1.00 1.23 C ATOM 583 CG MET A 38 2.947 -0.160 -6.371 1.00 0.95 C ATOM 584 SD MET A 38 2.438 0.714 -4.876 1.00 1.15 S ATOM 585 CE MET A 38 0.725 0.209 -4.751 1.00 1.32 C ATOM 0 H MET A 38 6.679 0.370 -7.821 1.00 1.01 H new ATOM 0 HA MET A 38 4.692 -1.787 -7.775 1.00 0.99 H new ATOM 0 HB2 MET A 38 5.015 -0.254 -5.834 1.00 1.23 H new ATOM 0 HB3 MET A 38 4.600 1.109 -6.854 1.00 1.23 H new ATOM 0 HG2 MET A 38 2.342 0.181 -7.211 1.00 0.95 H new ATOM 0 HG3 MET A 38 2.751 -1.225 -6.249 1.00 0.95 H new ATOM 0 HE1 MET A 38 0.084 1.091 -4.756 1.00 1.32 H new ATOM 0 HE2 MET A 38 0.471 -0.428 -5.598 1.00 1.32 H new ATOM 0 HE3 MET A 38 0.575 -0.343 -3.823 1.00 1.32 H new ATOM 595 N PRO A 39 3.334 -1.134 -9.768 1.00 0.92 N ATOM 596 CA PRO A 39 2.610 -0.823 -10.999 1.00 0.91 C ATOM 597 C PRO A 39 1.409 0.094 -10.771 1.00 0.76 C ATOM 598 O PRO A 39 0.523 -0.208 -9.967 1.00 0.83 O ATOM 599 CB PRO A 39 2.158 -2.193 -11.496 1.00 1.16 C ATOM 600 CG PRO A 39 2.036 -3.030 -10.267 1.00 1.24 C ATOM 601 CD PRO A 39 3.043 -2.497 -9.279 1.00 1.13 C ATOM 0 HA PRO A 39 3.235 -0.279 -11.708 1.00 0.91 H new ATOM 0 HB2 PRO A 39 1.207 -2.127 -12.024 1.00 1.16 H new ATOM 0 HB3 PRO A 39 2.881 -2.618 -12.193 1.00 1.16 H new ATOM 0 HG2 PRO A 39 1.027 -2.974 -9.859 1.00 1.24 H new ATOM 0 HG3 PRO A 39 2.232 -4.079 -10.492 1.00 1.24 H new ATOM 0 HD2 PRO A 39 2.639 -2.480 -8.267 1.00 1.13 H new ATOM 0 HD3 PRO A 39 3.942 -3.113 -9.254 1.00 1.13 H new ATOM 609 N GLU A 40 1.386 1.219 -11.475 1.00 0.77 N ATOM 610 CA GLU A 40 0.276 2.151 -11.376 1.00 0.69 C ATOM 611 C GLU A 40 -0.876 1.699 -12.265 1.00 0.73 C ATOM 612 O GLU A 40 -0.674 1.334 -13.425 1.00 1.09 O ATOM 613 CB GLU A 40 0.695 3.576 -11.757 1.00 0.76 C ATOM 614 CG GLU A 40 -0.421 4.580 -11.528 1.00 0.72 C ATOM 615 CD GLU A 40 -0.066 6.010 -11.862 1.00 0.94 C ATOM 616 OE1 GLU A 40 0.865 6.563 -11.242 1.00 1.09 O ATOM 617 OE2 GLU A 40 -0.760 6.605 -12.714 1.00 1.15 O ATOM 0 H GLU A 40 2.123 1.505 -12.119 1.00 0.77 H new ATOM 0 HA GLU A 40 -0.049 2.161 -10.336 1.00 0.69 H new ATOM 0 HB2 GLU A 40 1.568 3.865 -11.172 1.00 0.76 H new ATOM 0 HB3 GLU A 40 0.992 3.598 -12.805 1.00 0.76 H new ATOM 0 HG2 GLU A 40 -1.284 4.286 -12.126 1.00 0.72 H new ATOM 0 HG3 GLU A 40 -0.726 4.531 -10.483 1.00 0.72 H new ATOM 624 N GLY A 41 -2.082 1.729 -11.714 1.00 0.64 N ATOM 625 CA GLY A 41 -3.250 1.308 -12.462 1.00 0.66 C ATOM 626 C GLY A 41 -3.711 -0.071 -12.057 1.00 0.62 C ATOM 627 O GLY A 41 -4.814 -0.495 -12.396 1.00 0.68 O ATOM 0 H GLY A 41 -2.272 2.038 -10.761 1.00 0.64 H new ATOM 0 HA2 GLY A 41 -4.059 2.022 -12.305 1.00 0.66 H new ATOM 0 HA3 GLY A 41 -3.021 1.316 -13.528 1.00 0.66 H new ATOM 631 N LYS A 42 -2.869 -0.761 -11.310 1.00 0.59 N ATOM 632 CA LYS A 42 -3.171 -2.112 -10.871 1.00 0.59 C ATOM 633 C LYS A 42 -3.752 -2.122 -9.471 1.00 0.52 C ATOM 634 O LYS A 42 -3.137 -1.614 -8.533 1.00 0.54 O ATOM 635 CB LYS A 42 -1.914 -2.975 -10.893 1.00 0.67 C ATOM 636 CG LYS A 42 -1.440 -3.338 -12.283 1.00 0.85 C ATOM 637 CD LYS A 42 -2.365 -4.362 -12.907 1.00 1.45 C ATOM 638 CE LYS A 42 -2.311 -5.685 -12.160 1.00 1.85 C ATOM 639 NZ LYS A 42 -3.197 -6.707 -12.776 1.00 2.30 N ATOM 0 H LYS A 42 -1.967 -0.407 -10.993 1.00 0.59 H new ATOM 0 HA LYS A 42 -3.910 -2.519 -11.562 1.00 0.59 H new ATOM 0 HB2 LYS A 42 -1.114 -2.447 -10.374 1.00 0.67 H new ATOM 0 HB3 LYS A 42 -2.105 -3.891 -10.335 1.00 0.67 H new ATOM 0 HG2 LYS A 42 -1.403 -2.445 -12.906 1.00 0.85 H new ATOM 0 HG3 LYS A 42 -0.426 -3.736 -12.236 1.00 0.85 H new ATOM 0 HD2 LYS A 42 -3.387 -3.982 -12.904 1.00 1.45 H new ATOM 0 HD3 LYS A 42 -2.087 -4.519 -13.949 1.00 1.45 H new ATOM 0 HE2 LYS A 42 -1.285 -6.054 -12.148 1.00 1.85 H new ATOM 0 HE3 LYS A 42 -2.605 -5.528 -11.122 1.00 1.85 H new ATOM 0 HZ1 LYS A 42 -3.131 -7.594 -12.237 1.00 2.30 H new ATOM 0 HZ2 LYS A 42 -4.180 -6.367 -12.764 1.00 2.30 H new ATOM 0 HZ3 LYS A 42 -2.901 -6.876 -13.759 1.00 2.30 H new ATOM 653 N VAL A 43 -4.931 -2.705 -9.333 1.00 0.48 N ATOM 654 CA VAL A 43 -5.509 -2.913 -8.022 1.00 0.45 C ATOM 655 C VAL A 43 -5.075 -4.276 -7.503 1.00 0.39 C ATOM 656 O VAL A 43 -5.195 -5.290 -8.195 1.00 0.46 O ATOM 657 CB VAL A 43 -7.057 -2.770 -8.013 1.00 0.54 C ATOM 658 CG1 VAL A 43 -7.727 -3.830 -8.873 1.00 0.69 C ATOM 659 CG2 VAL A 43 -7.595 -2.812 -6.587 1.00 0.93 C ATOM 0 H VAL A 43 -5.501 -3.040 -10.109 1.00 0.48 H new ATOM 0 HA VAL A 43 -5.140 -2.130 -7.359 1.00 0.45 H new ATOM 0 HB VAL A 43 -7.298 -1.799 -8.446 1.00 0.54 H new ATOM 0 HG11 VAL A 43 -8.808 -3.695 -8.840 1.00 0.69 H new ATOM 0 HG12 VAL A 43 -7.381 -3.736 -9.902 1.00 0.69 H new ATOM 0 HG13 VAL A 43 -7.473 -4.820 -8.494 1.00 0.69 H new ATOM 0 HG21 VAL A 43 -8.680 -2.710 -6.604 1.00 0.93 H new ATOM 0 HG22 VAL A 43 -7.327 -3.762 -6.125 1.00 0.93 H new ATOM 0 HG23 VAL A 43 -7.163 -1.994 -6.011 1.00 0.93 H new ATOM 669 N MET A 44 -4.529 -4.292 -6.304 1.00 0.35 N ATOM 670 CA MET A 44 -3.993 -5.508 -5.726 1.00 0.36 C ATOM 671 C MET A 44 -4.612 -5.748 -4.363 1.00 0.34 C ATOM 672 O MET A 44 -5.100 -4.815 -3.721 1.00 0.39 O ATOM 673 CB MET A 44 -2.466 -5.432 -5.618 1.00 0.46 C ATOM 674 CG MET A 44 -1.762 -5.405 -6.967 1.00 0.76 C ATOM 675 SD MET A 44 0.030 -5.246 -6.824 1.00 1.31 S ATOM 676 CE MET A 44 0.166 -3.656 -6.008 1.00 1.20 C ATOM 0 H MET A 44 -4.444 -3.470 -5.707 1.00 0.35 H new ATOM 0 HA MET A 44 -4.243 -6.344 -6.379 1.00 0.36 H new ATOM 0 HB2 MET A 44 -2.194 -4.538 -5.057 1.00 0.46 H new ATOM 0 HB3 MET A 44 -2.107 -6.288 -5.047 1.00 0.46 H new ATOM 0 HG2 MET A 44 -1.998 -6.319 -7.512 1.00 0.76 H new ATOM 0 HG3 MET A 44 -2.149 -4.574 -7.556 1.00 0.76 H new ATOM 0 HE1 MET A 44 1.155 -3.236 -6.192 1.00 1.20 H new ATOM 0 HE2 MET A 44 -0.594 -2.980 -6.400 1.00 1.20 H new ATOM 0 HE3 MET A 44 0.020 -3.784 -4.935 1.00 1.20 H new ATOM 686 N GLU A 45 -4.601 -6.993 -3.930 1.00 0.31 N ATOM 687 CA GLU A 45 -5.227 -7.360 -2.678 1.00 0.34 C ATOM 688 C GLU A 45 -4.213 -7.698 -1.607 1.00 0.30 C ATOM 689 O GLU A 45 -3.016 -7.840 -1.863 1.00 0.35 O ATOM 690 CB GLU A 45 -6.185 -8.529 -2.864 1.00 0.47 C ATOM 691 CG GLU A 45 -7.524 -8.112 -3.433 1.00 0.99 C ATOM 692 CD GLU A 45 -8.477 -9.271 -3.583 1.00 1.17 C ATOM 693 OE1 GLU A 45 -8.159 -10.219 -4.333 1.00 1.43 O ATOM 694 OE2 GLU A 45 -9.544 -9.240 -2.942 1.00 1.64 O ATOM 0 H GLU A 45 -4.164 -7.768 -4.429 1.00 0.31 H new ATOM 0 HA GLU A 45 -5.788 -6.486 -2.347 1.00 0.34 H new ATOM 0 HB2 GLU A 45 -5.728 -9.264 -3.527 1.00 0.47 H new ATOM 0 HB3 GLU A 45 -6.342 -9.020 -1.903 1.00 0.47 H new ATOM 0 HG2 GLU A 45 -7.972 -7.360 -2.784 1.00 0.99 H new ATOM 0 HG3 GLU A 45 -7.371 -7.644 -4.405 1.00 0.99 H new ATOM 701 N THR A 46 -4.731 -7.821 -0.403 1.00 0.29 N ATOM 702 CA THR A 46 -3.929 -8.118 0.755 1.00 0.31 C ATOM 703 C THR A 46 -4.383 -9.416 1.406 1.00 0.39 C ATOM 704 O THR A 46 -5.448 -9.944 1.077 1.00 0.49 O ATOM 705 CB THR A 46 -4.012 -6.983 1.793 1.00 0.42 C ATOM 706 OG1 THR A 46 -5.335 -6.926 2.342 1.00 0.53 O ATOM 707 CG2 THR A 46 -3.664 -5.642 1.163 1.00 0.50 C ATOM 0 H THR A 46 -5.726 -7.716 -0.204 1.00 0.29 H new ATOM 0 HA THR A 46 -2.898 -8.220 0.418 1.00 0.31 H new ATOM 0 HB THR A 46 -3.292 -7.190 2.585 1.00 0.42 H new ATOM 0 HG1 THR A 46 -5.451 -6.084 2.829 1.00 0.53 H new ATOM 0 HG21 THR A 46 -3.730 -4.858 1.917 1.00 0.50 H new ATOM 0 HG22 THR A 46 -2.650 -5.679 0.766 1.00 0.50 H new ATOM 0 HG23 THR A 46 -4.363 -5.428 0.354 1.00 0.50 H new ATOM 715 N ARG A 47 -3.576 -9.917 2.331 1.00 0.39 N ATOM 716 CA ARG A 47 -3.947 -11.077 3.143 1.00 0.51 C ATOM 717 C ARG A 47 -5.214 -10.805 3.939 1.00 0.72 C ATOM 718 O ARG A 47 -5.916 -11.724 4.365 1.00 0.92 O ATOM 719 CB ARG A 47 -2.844 -11.423 4.125 1.00 0.54 C ATOM 720 CG ARG A 47 -2.333 -10.248 4.919 1.00 0.95 C ATOM 721 CD ARG A 47 -1.434 -10.725 6.034 1.00 1.27 C ATOM 722 NE ARG A 47 -0.715 -9.624 6.662 1.00 2.09 N ATOM 723 CZ ARG A 47 -0.701 -9.385 7.964 1.00 2.77 C ATOM 724 NH1 ARG A 47 -1.443 -10.111 8.790 1.00 2.94 N ATOM 725 NH2 ARG A 47 0.048 -8.397 8.433 1.00 3.73 N ATOM 0 H ARG A 47 -2.653 -9.538 2.542 1.00 0.39 H new ATOM 0 HA ARG A 47 -4.112 -11.907 2.455 1.00 0.51 H new ATOM 0 HB2 ARG A 47 -3.213 -12.181 4.816 1.00 0.54 H new ATOM 0 HB3 ARG A 47 -2.012 -11.867 3.578 1.00 0.54 H new ATOM 0 HG2 ARG A 47 -1.785 -9.569 4.266 1.00 0.95 H new ATOM 0 HG3 ARG A 47 -3.171 -9.687 5.332 1.00 0.95 H new ATOM 0 HD2 ARG A 47 -2.031 -11.244 6.784 1.00 1.27 H new ATOM 0 HD3 ARG A 47 -0.719 -11.447 5.640 1.00 1.27 H new ATOM 0 HE ARG A 47 -0.187 -8.995 6.057 1.00 2.09 H new ATOM 0 HH11 ARG A 47 -2.030 -10.860 8.423 1.00 2.94 H new ATOM 0 HH12 ARG A 47 -1.426 -9.920 9.792 1.00 2.94 H new ATOM 0 HH21 ARG A 47 0.605 -7.831 7.793 1.00 3.73 H new ATOM 0 HH22 ARG A 47 0.067 -8.203 9.434 1.00 3.73 H new ATOM 739 N ASP A 48 -5.487 -9.531 4.130 1.00 0.78 N ATOM 740 CA ASP A 48 -6.537 -9.091 5.028 1.00 1.06 C ATOM 741 C ASP A 48 -7.818 -8.780 4.258 1.00 1.04 C ATOM 742 O ASP A 48 -8.864 -8.498 4.846 1.00 1.45 O ATOM 743 CB ASP A 48 -6.035 -7.876 5.809 1.00 1.30 C ATOM 744 CG ASP A 48 -7.014 -7.389 6.862 1.00 1.83 C ATOM 745 OD1 ASP A 48 -7.121 -8.034 7.925 1.00 2.70 O ATOM 746 OD2 ASP A 48 -7.675 -6.358 6.629 1.00 1.79 O ATOM 0 H ASP A 48 -4.988 -8.771 3.668 1.00 0.78 H new ATOM 0 HA ASP A 48 -6.782 -9.888 5.731 1.00 1.06 H new ATOM 0 HB2 ASP A 48 -5.090 -8.128 6.291 1.00 1.30 H new ATOM 0 HB3 ASP A 48 -5.830 -7.064 5.111 1.00 1.30 H new ATOM 751 N GLY A 49 -7.735 -8.838 2.936 1.00 0.68 N ATOM 752 CA GLY A 49 -8.918 -8.704 2.121 1.00 0.72 C ATOM 753 C GLY A 49 -9.165 -7.284 1.668 1.00 0.70 C ATOM 754 O GLY A 49 -10.227 -6.983 1.123 1.00 0.77 O ATOM 0 H GLY A 49 -6.868 -8.976 2.417 1.00 0.68 H new ATOM 0 HA2 GLY A 49 -8.825 -9.348 1.246 1.00 0.72 H new ATOM 0 HA3 GLY A 49 -9.782 -9.055 2.684 1.00 0.72 H new ATOM 758 N THR A 50 -8.189 -6.410 1.860 1.00 0.65 N ATOM 759 CA THR A 50 -8.319 -5.036 1.414 1.00 0.69 C ATOM 760 C THR A 50 -7.794 -4.914 -0.008 1.00 0.55 C ATOM 761 O THR A 50 -6.890 -5.649 -0.409 1.00 0.52 O ATOM 762 CB THR A 50 -7.550 -4.055 2.328 1.00 0.83 C ATOM 763 OG1 THR A 50 -6.609 -4.767 3.148 1.00 1.25 O ATOM 764 CG2 THR A 50 -8.503 -3.260 3.208 1.00 1.35 C ATOM 0 H THR A 50 -7.304 -6.628 2.319 1.00 0.65 H new ATOM 0 HA THR A 50 -9.376 -4.773 1.455 1.00 0.69 H new ATOM 0 HB THR A 50 -7.011 -3.357 1.687 1.00 0.83 H new ATOM 0 HG1 THR A 50 -5.909 -4.152 3.452 1.00 1.25 H new ATOM 0 HG21 THR A 50 -7.933 -2.579 3.839 1.00 1.35 H new ATOM 0 HG22 THR A 50 -9.186 -2.687 2.580 1.00 1.35 H new ATOM 0 HG23 THR A 50 -9.075 -3.944 3.836 1.00 1.35 H new ATOM 772 N LYS A 51 -8.377 -4.013 -0.774 1.00 0.53 N ATOM 773 CA LYS A 51 -7.934 -3.782 -2.137 1.00 0.52 C ATOM 774 C LYS A 51 -7.301 -2.402 -2.229 1.00 0.51 C ATOM 775 O LYS A 51 -7.868 -1.418 -1.750 1.00 0.56 O ATOM 776 CB LYS A 51 -9.091 -3.903 -3.139 1.00 0.59 C ATOM 777 CG LYS A 51 -9.848 -5.229 -3.080 1.00 0.67 C ATOM 778 CD LYS A 51 -10.986 -5.182 -2.069 1.00 1.19 C ATOM 779 CE LYS A 51 -11.808 -6.466 -2.062 1.00 1.26 C ATOM 780 NZ LYS A 51 -11.071 -7.616 -1.471 1.00 1.84 N ATOM 0 H LYS A 51 -9.158 -3.429 -0.477 1.00 0.53 H new ATOM 0 HA LYS A 51 -7.201 -4.546 -2.395 1.00 0.52 H new ATOM 0 HB2 LYS A 51 -9.795 -3.090 -2.961 1.00 0.59 H new ATOM 0 HB3 LYS A 51 -8.697 -3.769 -4.147 1.00 0.59 H new ATOM 0 HG2 LYS A 51 -10.247 -5.465 -4.067 1.00 0.67 H new ATOM 0 HG3 LYS A 51 -9.158 -6.031 -2.815 1.00 0.67 H new ATOM 0 HD2 LYS A 51 -10.577 -5.010 -1.073 1.00 1.19 H new ATOM 0 HD3 LYS A 51 -11.637 -4.338 -2.297 1.00 1.19 H new ATOM 0 HE2 LYS A 51 -12.727 -6.301 -1.500 1.00 1.26 H new ATOM 0 HE3 LYS A 51 -12.099 -6.712 -3.083 1.00 1.26 H new ATOM 0 HZ1 LYS A 51 -11.739 -8.383 -1.256 1.00 1.84 H new ATOM 0 HZ2 LYS A 51 -10.359 -7.957 -2.148 1.00 1.84 H new ATOM 0 HZ3 LYS A 51 -10.599 -7.313 -0.595 1.00 1.84 H new ATOM 794 N ILE A 52 -6.118 -2.340 -2.813 1.00 0.47 N ATOM 795 CA ILE A 52 -5.377 -1.091 -2.922 1.00 0.46 C ATOM 796 C ILE A 52 -4.794 -0.927 -4.321 1.00 0.46 C ATOM 797 O ILE A 52 -4.606 -1.902 -5.042 1.00 0.52 O ATOM 798 CB ILE A 52 -4.225 -1.007 -1.888 1.00 0.48 C ATOM 799 CG1 ILE A 52 -3.279 -2.206 -2.046 1.00 0.49 C ATOM 800 CG2 ILE A 52 -4.782 -0.937 -0.470 1.00 0.66 C ATOM 801 CD1 ILE A 52 -2.049 -2.140 -1.163 1.00 0.51 C ATOM 0 H ILE A 52 -5.645 -3.145 -3.223 1.00 0.47 H new ATOM 0 HA ILE A 52 -6.087 -0.289 -2.719 1.00 0.46 H new ATOM 0 HB ILE A 52 -3.657 -0.096 -2.073 1.00 0.48 H new ATOM 0 HG12 ILE A 52 -3.827 -3.121 -1.820 1.00 0.49 H new ATOM 0 HG13 ILE A 52 -2.963 -2.272 -3.087 1.00 0.49 H new ATOM 0 HG21 ILE A 52 -3.959 -0.879 0.242 1.00 0.66 H new ATOM 0 HG22 ILE A 52 -5.412 -0.053 -0.370 1.00 0.66 H new ATOM 0 HG23 ILE A 52 -5.374 -1.829 -0.267 1.00 0.66 H new ATOM 0 HD11 ILE A 52 -1.432 -3.022 -1.333 1.00 0.51 H new ATOM 0 HD12 ILE A 52 -1.476 -1.244 -1.403 1.00 0.51 H new ATOM 0 HD13 ILE A 52 -2.353 -2.106 -0.117 1.00 0.51 H new ATOM 813 N ILE A 53 -4.511 0.313 -4.688 1.00 0.42 N ATOM 814 CA ILE A 53 -3.907 0.619 -5.982 1.00 0.41 C ATOM 815 C ILE A 53 -3.227 1.982 -5.938 1.00 0.42 C ATOM 816 O ILE A 53 -3.637 2.868 -5.192 1.00 0.44 O ATOM 817 CB ILE A 53 -4.929 0.571 -7.169 1.00 0.40 C ATOM 818 CG1 ILE A 53 -4.440 1.413 -8.361 1.00 0.43 C ATOM 819 CG2 ILE A 53 -6.312 1.013 -6.735 1.00 0.42 C ATOM 820 CD1 ILE A 53 -5.452 1.593 -9.471 1.00 0.98 C ATOM 0 H ILE A 53 -4.690 1.131 -4.106 1.00 0.42 H new ATOM 0 HA ILE A 53 -3.169 -0.161 -6.170 1.00 0.41 H new ATOM 0 HB ILE A 53 -4.997 -0.468 -7.491 1.00 0.40 H new ATOM 0 HG12 ILE A 53 -4.144 2.396 -7.996 1.00 0.43 H new ATOM 0 HG13 ILE A 53 -3.547 0.945 -8.776 1.00 0.43 H new ATOM 0 HG21 ILE A 53 -6.992 0.966 -7.585 1.00 0.42 H new ATOM 0 HG22 ILE A 53 -6.673 0.355 -5.945 1.00 0.42 H new ATOM 0 HG23 ILE A 53 -6.267 2.036 -6.362 1.00 0.42 H new ATOM 0 HD11 ILE A 53 -5.017 2.199 -10.265 1.00 0.98 H new ATOM 0 HD12 ILE A 53 -5.731 0.618 -9.870 1.00 0.98 H new ATOM 0 HD13 ILE A 53 -6.338 2.092 -9.078 1.00 0.98 H new ATOM 832 N MET A 54 -2.190 2.137 -6.741 1.00 0.44 N ATOM 833 CA MET A 54 -1.536 3.416 -6.898 1.00 0.47 C ATOM 834 C MET A 54 -1.936 3.972 -8.251 1.00 0.48 C ATOM 835 O MET A 54 -1.786 3.294 -9.265 1.00 0.54 O ATOM 836 CB MET A 54 -0.013 3.275 -6.816 1.00 0.52 C ATOM 837 CG MET A 54 0.725 4.604 -6.914 1.00 0.60 C ATOM 838 SD MET A 54 2.519 4.414 -6.930 1.00 1.08 S ATOM 839 CE MET A 54 2.760 3.567 -8.489 1.00 1.50 C ATOM 0 H MET A 54 -1.783 1.385 -7.297 1.00 0.44 H new ATOM 0 HA MET A 54 -1.842 4.087 -6.095 1.00 0.47 H new ATOM 0 HB2 MET A 54 0.249 2.791 -5.875 1.00 0.52 H new ATOM 0 HB3 MET A 54 0.327 2.619 -7.617 1.00 0.52 H new ATOM 0 HG2 MET A 54 0.412 5.121 -7.821 1.00 0.60 H new ATOM 0 HG3 MET A 54 0.439 5.235 -6.072 1.00 0.60 H new ATOM 0 HE1 MET A 54 3.154 2.568 -8.303 1.00 1.50 H new ATOM 0 HE2 MET A 54 1.807 3.489 -9.012 1.00 1.50 H new ATOM 0 HE3 MET A 54 3.466 4.127 -9.102 1.00 1.50 H new ATOM 849 N LYS A 55 -2.498 5.167 -8.266 1.00 0.52 N ATOM 850 CA LYS A 55 -2.885 5.797 -9.515 1.00 0.58 C ATOM 851 C LYS A 55 -2.665 7.294 -9.427 1.00 0.66 C ATOM 852 O LYS A 55 -3.036 7.925 -8.437 1.00 0.70 O ATOM 853 CB LYS A 55 -4.346 5.495 -9.860 1.00 0.72 C ATOM 854 CG LYS A 55 -4.676 5.763 -11.321 1.00 0.95 C ATOM 855 CD LYS A 55 -3.897 4.832 -12.239 1.00 0.94 C ATOM 856 CE LYS A 55 -3.979 5.261 -13.695 1.00 1.11 C ATOM 857 NZ LYS A 55 -3.251 6.535 -13.946 1.00 1.69 N ATOM 0 H LYS A 55 -2.696 5.719 -7.431 1.00 0.52 H new ATOM 0 HA LYS A 55 -2.263 5.388 -10.311 1.00 0.58 H new ATOM 0 HB2 LYS A 55 -4.560 4.451 -9.630 1.00 0.72 H new ATOM 0 HB3 LYS A 55 -4.996 6.101 -9.229 1.00 0.72 H new ATOM 0 HG2 LYS A 55 -5.745 5.630 -11.486 1.00 0.95 H new ATOM 0 HG3 LYS A 55 -4.442 6.799 -11.566 1.00 0.95 H new ATOM 0 HD2 LYS A 55 -2.853 4.807 -11.927 1.00 0.94 H new ATOM 0 HD3 LYS A 55 -4.284 3.818 -12.138 1.00 0.94 H new ATOM 0 HE2 LYS A 55 -3.564 4.476 -14.327 1.00 1.11 H new ATOM 0 HE3 LYS A 55 -5.025 5.380 -13.979 1.00 1.11 H new ATOM 0 HZ1 LYS A 55 -3.083 6.644 -14.967 1.00 1.69 H new ATOM 0 HZ2 LYS A 55 -3.821 7.334 -13.602 1.00 1.69 H new ATOM 0 HZ3 LYS A 55 -2.340 6.518 -13.445 1.00 1.69 H new ATOM 871 N GLY A 56 -2.056 7.853 -10.459 1.00 0.77 N ATOM 872 CA GLY A 56 -1.716 9.263 -10.455 1.00 0.93 C ATOM 873 C GLY A 56 -0.696 9.592 -9.384 1.00 0.94 C ATOM 874 O GLY A 56 -0.697 10.698 -8.841 1.00 1.21 O ATOM 0 H GLY A 56 -1.788 7.353 -11.307 1.00 0.77 H new ATOM 0 HA2 GLY A 56 -1.322 9.545 -11.431 1.00 0.93 H new ATOM 0 HA3 GLY A 56 -2.617 9.854 -10.293 1.00 0.93 H new ATOM 878 N ASN A 57 0.167 8.615 -9.080 1.00 0.99 N ATOM 879 CA ASN A 57 1.157 8.743 -8.004 1.00 1.05 C ATOM 880 C ASN A 57 0.475 8.973 -6.657 1.00 0.97 C ATOM 881 O ASN A 57 1.065 9.521 -5.722 1.00 1.15 O ATOM 882 CB ASN A 57 2.160 9.860 -8.312 1.00 1.30 C ATOM 883 CG ASN A 57 3.275 9.397 -9.235 1.00 1.96 C ATOM 884 OD1 ASN A 57 4.383 9.936 -9.208 1.00 2.10 O ATOM 885 ND2 ASN A 57 2.996 8.395 -10.057 1.00 2.90 N ATOM 0 H ASN A 57 0.199 7.720 -9.569 1.00 0.99 H new ATOM 0 HA ASN A 57 1.709 7.805 -7.942 1.00 1.05 H new ATOM 0 HB2 ASN A 57 1.636 10.699 -8.771 1.00 1.30 H new ATOM 0 HB3 ASN A 57 2.591 10.225 -7.380 1.00 1.30 H new ATOM 0 HD21 ASN A 57 3.710 8.045 -10.696 1.00 2.90 H new ATOM 0 HD22 ASN A 57 2.067 7.974 -10.051 1.00 2.90 H new ATOM 892 N GLU A 58 -0.768 8.523 -6.570 1.00 0.86 N ATOM 893 CA GLU A 58 -1.532 8.570 -5.333 1.00 0.84 C ATOM 894 C GLU A 58 -1.890 7.163 -4.904 1.00 0.69 C ATOM 895 O GLU A 58 -2.012 6.266 -5.741 1.00 0.75 O ATOM 896 CB GLU A 58 -2.825 9.366 -5.510 1.00 0.88 C ATOM 897 CG GLU A 58 -2.621 10.825 -5.871 1.00 1.05 C ATOM 898 CD GLU A 58 -3.932 11.579 -5.927 1.00 1.30 C ATOM 899 OE1 GLU A 58 -4.617 11.510 -6.969 1.00 1.63 O ATOM 900 OE2 GLU A 58 -4.290 12.234 -4.925 1.00 1.66 O ATOM 0 H GLU A 58 -1.275 8.115 -7.355 1.00 0.86 H new ATOM 0 HA GLU A 58 -0.916 9.058 -4.578 1.00 0.84 H new ATOM 0 HB2 GLU A 58 -3.424 8.893 -6.288 1.00 0.88 H new ATOM 0 HB3 GLU A 58 -3.400 9.310 -4.586 1.00 0.88 H new ATOM 0 HG2 GLU A 58 -1.964 11.292 -5.138 1.00 1.05 H new ATOM 0 HG3 GLU A 58 -2.121 10.894 -6.837 1.00 1.05 H new ATOM 907 N ILE A 59 -2.056 6.968 -3.614 1.00 0.64 N ATOM 908 CA ILE A 59 -2.484 5.682 -3.114 1.00 0.56 C ATOM 909 C ILE A 59 -3.979 5.676 -2.845 1.00 0.55 C ATOM 910 O ILE A 59 -4.511 6.489 -2.083 1.00 0.63 O ATOM 911 CB ILE A 59 -1.687 5.244 -1.854 1.00 0.62 C ATOM 912 CG1 ILE A 59 -0.707 4.127 -2.217 1.00 0.79 C ATOM 913 CG2 ILE A 59 -2.602 4.789 -0.723 1.00 0.58 C ATOM 914 CD1 ILE A 59 -1.367 2.894 -2.799 1.00 0.92 C ATOM 0 H ILE A 59 -1.902 7.678 -2.898 1.00 0.64 H new ATOM 0 HA ILE A 59 -2.272 4.949 -3.892 1.00 0.56 H new ATOM 0 HB ILE A 59 -1.136 6.114 -1.497 1.00 0.62 H new ATOM 0 HG12 ILE A 59 0.017 4.512 -2.935 1.00 0.79 H new ATOM 0 HG13 ILE A 59 -0.150 3.842 -1.324 1.00 0.79 H new ATOM 0 HG21 ILE A 59 -1.999 4.493 0.136 1.00 0.58 H new ATOM 0 HG22 ILE A 59 -3.263 5.608 -0.438 1.00 0.58 H new ATOM 0 HG23 ILE A 59 -3.199 3.941 -1.057 1.00 0.58 H new ATOM 0 HD11 ILE A 59 -0.606 2.149 -3.030 1.00 0.92 H new ATOM 0 HD12 ILE A 59 -2.070 2.482 -2.075 1.00 0.92 H new ATOM 0 HD13 ILE A 59 -1.900 3.163 -3.711 1.00 0.92 H new ATOM 926 N PHE A 60 -4.646 4.782 -3.536 1.00 0.48 N ATOM 927 CA PHE A 60 -6.004 4.418 -3.232 1.00 0.48 C ATOM 928 C PHE A 60 -5.959 3.366 -2.141 1.00 0.48 C ATOM 929 O PHE A 60 -5.318 2.324 -2.295 1.00 0.45 O ATOM 930 CB PHE A 60 -6.675 3.914 -4.536 1.00 0.50 C ATOM 931 CG PHE A 60 -7.721 2.813 -4.431 1.00 0.48 C ATOM 932 CD1 PHE A 60 -7.406 1.583 -3.875 1.00 0.44 C ATOM 933 CD2 PHE A 60 -9.034 3.038 -4.812 1.00 0.69 C ATOM 934 CE1 PHE A 60 -8.381 0.610 -3.709 1.00 0.47 C ATOM 935 CE2 PHE A 60 -10.002 2.075 -4.659 1.00 0.71 C ATOM 936 CZ PHE A 60 -9.581 0.740 -4.375 1.00 0.54 C ATOM 0 H PHE A 60 -4.254 4.283 -4.334 1.00 0.48 H new ATOM 0 HA PHE A 60 -6.597 5.257 -2.867 1.00 0.48 H new ATOM 0 HB2 PHE A 60 -7.142 4.771 -5.022 1.00 0.50 H new ATOM 0 HB3 PHE A 60 -5.886 3.561 -5.201 1.00 0.50 H new ATOM 0 HD1 PHE A 60 -6.391 1.380 -3.568 1.00 0.44 H new ATOM 0 HD2 PHE A 60 -9.303 3.993 -5.239 1.00 0.69 H new ATOM 0 HE1 PHE A 60 -8.202 -0.239 -3.066 1.00 0.47 H new ATOM 0 HE2 PHE A 60 -11.050 2.320 -4.751 1.00 0.71 H new ATOM 0 HZ PHE A 60 -10.169 -0.118 -4.665 1.00 0.54 H new ATOM 946 N ARG A 61 -6.553 3.672 -1.010 1.00 0.60 N ATOM 947 CA ARG A 61 -6.822 2.645 -0.040 1.00 0.70 C ATOM 948 C ARG A 61 -8.314 2.491 -0.021 1.00 0.69 C ATOM 949 O ARG A 61 -9.010 3.296 0.593 1.00 0.88 O ATOM 950 CB ARG A 61 -6.321 3.019 1.355 1.00 1.03 C ATOM 951 CG ARG A 61 -5.913 1.821 2.201 1.00 1.21 C ATOM 952 CD ARG A 61 -5.625 2.232 3.635 1.00 1.51 C ATOM 953 NE ARG A 61 -4.827 3.459 3.694 1.00 2.25 N ATOM 954 CZ ARG A 61 -4.634 4.186 4.796 1.00 2.70 C ATOM 955 NH1 ARG A 61 -5.097 3.770 5.967 1.00 2.72 N ATOM 956 NH2 ARG A 61 -3.957 5.324 4.719 1.00 3.56 N ATOM 0 H ARG A 61 -6.854 4.610 -0.745 1.00 0.60 H new ATOM 0 HA ARG A 61 -6.306 1.724 -0.310 1.00 0.70 H new ATOM 0 HB2 ARG A 61 -5.468 3.691 1.257 1.00 1.03 H new ATOM 0 HB3 ARG A 61 -7.103 3.571 1.876 1.00 1.03 H new ATOM 0 HG2 ARG A 61 -6.708 1.075 2.187 1.00 1.21 H new ATOM 0 HG3 ARG A 61 -5.028 1.353 1.770 1.00 1.21 H new ATOM 0 HD2 ARG A 61 -6.565 2.382 4.167 1.00 1.51 H new ATOM 0 HD3 ARG A 61 -5.095 1.428 4.145 1.00 1.51 H new ATOM 0 HE ARG A 61 -4.388 3.780 2.831 1.00 2.25 H new ATOM 0 HH11 ARG A 61 -5.605 2.888 6.030 1.00 2.72 H new ATOM 0 HH12 ARG A 61 -4.945 4.332 6.804 1.00 2.72 H new ATOM 0 HH21 ARG A 61 -3.588 5.638 3.822 1.00 3.56 H new ATOM 0 HH22 ARG A 61 -3.806 5.885 5.557 1.00 3.56 H new ATOM 970 N LEU A 62 -8.789 1.468 -0.709 1.00 0.78 N ATOM 971 CA LEU A 62 -10.227 1.268 -0.942 1.00 1.07 C ATOM 972 C LEU A 62 -10.891 2.453 -1.649 1.00 1.19 C ATOM 973 O LEU A 62 -11.999 2.314 -2.169 1.00 1.40 O ATOM 974 CB LEU A 62 -10.912 1.065 0.392 1.00 1.26 C ATOM 975 CG LEU A 62 -10.207 0.061 1.268 1.00 1.08 C ATOM 976 CD1 LEU A 62 -10.916 -0.073 2.585 1.00 1.36 C ATOM 977 CD2 LEU A 62 -10.123 -1.263 0.538 1.00 1.32 C ATOM 0 H LEU A 62 -8.198 0.748 -1.125 1.00 0.78 H new ATOM 0 HA LEU A 62 -10.330 0.398 -1.591 1.00 1.07 H new ATOM 0 HB2 LEU A 62 -10.968 2.020 0.915 1.00 1.26 H new ATOM 0 HB3 LEU A 62 -11.937 0.735 0.222 1.00 1.26 H new ATOM 0 HG LEU A 62 -9.194 0.402 1.481 1.00 1.08 H new ATOM 0 HD11 LEU A 62 -10.395 -0.801 3.206 1.00 1.36 H new ATOM 0 HD12 LEU A 62 -10.929 0.892 3.091 1.00 1.36 H new ATOM 0 HD13 LEU A 62 -11.939 -0.407 2.415 1.00 1.36 H new ATOM 0 HD21 LEU A 62 -9.614 -1.993 1.167 1.00 1.32 H new ATOM 0 HD22 LEU A 62 -11.128 -1.618 0.311 1.00 1.32 H new ATOM 0 HD23 LEU A 62 -9.566 -1.132 -0.390 1.00 1.32 H new ATOM 989 N ASP A 63 -10.219 3.611 -1.623 1.00 1.20 N ATOM 990 CA ASP A 63 -10.771 4.889 -2.063 1.00 1.33 C ATOM 991 C ASP A 63 -11.735 5.435 -1.010 1.00 1.52 C ATOM 992 O ASP A 63 -11.897 6.642 -0.862 1.00 2.14 O ATOM 993 CB ASP A 63 -11.422 4.740 -3.438 1.00 1.34 C ATOM 994 CG ASP A 63 -12.543 5.729 -3.708 1.00 1.60 C ATOM 995 OD1 ASP A 63 -12.243 6.893 -4.044 1.00 1.69 O ATOM 996 OD2 ASP A 63 -13.726 5.352 -3.562 1.00 1.88 O ATOM 0 H ASP A 63 -9.258 3.682 -1.288 1.00 1.20 H new ATOM 0 HA ASP A 63 -9.968 5.618 -2.170 1.00 1.33 H new ATOM 0 HB2 ASP A 63 -10.656 4.858 -4.205 1.00 1.34 H new ATOM 0 HB3 ASP A 63 -11.815 3.728 -3.533 1.00 1.34 H new ATOM 1001 N GLU A 64 -12.293 4.526 -0.230 1.00 1.62 N ATOM 1002 CA GLU A 64 -13.253 4.861 0.813 1.00 1.93 C ATOM 1003 C GLU A 64 -12.582 4.869 2.193 1.00 1.82 C ATOM 1004 O GLU A 64 -13.145 5.376 3.158 1.00 2.06 O ATOM 1005 CB GLU A 64 -14.392 3.838 0.793 1.00 2.31 C ATOM 1006 CG GLU A 64 -15.705 4.359 1.349 1.00 2.80 C ATOM 1007 CD GLU A 64 -16.267 5.488 0.512 1.00 3.36 C ATOM 1008 OE1 GLU A 64 -16.359 5.329 -0.724 1.00 3.80 O ATOM 1009 OE2 GLU A 64 -16.604 6.545 1.075 1.00 3.77 O ATOM 0 H GLU A 64 -12.093 3.528 -0.301 1.00 1.62 H new ATOM 0 HA GLU A 64 -13.647 5.859 0.623 1.00 1.93 H new ATOM 0 HB2 GLU A 64 -14.551 3.507 -0.233 1.00 2.31 H new ATOM 0 HB3 GLU A 64 -14.089 2.962 1.367 1.00 2.31 H new ATOM 0 HG2 GLU A 64 -16.429 3.545 1.393 1.00 2.80 H new ATOM 0 HG3 GLU A 64 -15.554 4.706 2.371 1.00 2.80 H new ATOM 1016 N ALA A 65 -11.372 4.307 2.289 1.00 1.56 N ATOM 1017 CA ALA A 65 -10.650 4.275 3.567 1.00 1.58 C ATOM 1018 C ALA A 65 -10.285 5.682 4.009 1.00 1.62 C ATOM 1019 O ALA A 65 -10.262 5.995 5.195 1.00 1.76 O ATOM 1020 CB ALA A 65 -9.389 3.422 3.473 1.00 1.52 C ATOM 0 H ALA A 65 -10.877 3.874 1.509 1.00 1.56 H new ATOM 0 HA ALA A 65 -11.313 3.827 4.307 1.00 1.58 H new ATOM 0 HB1 ALA A 65 -8.879 3.420 4.436 1.00 1.52 H new ATOM 0 HB2 ALA A 65 -9.660 2.401 3.203 1.00 1.52 H new ATOM 0 HB3 ALA A 65 -8.726 3.835 2.712 1.00 1.52 H new ATOM 1026 N LEU A 66 -10.014 6.525 3.028 1.00 1.64 N ATOM 1027 CA LEU A 66 -9.616 7.901 3.270 1.00 1.88 C ATOM 1028 C LEU A 66 -10.834 8.797 3.487 1.00 2.10 C ATOM 1029 O LEU A 66 -10.731 10.023 3.440 1.00 2.36 O ATOM 1030 CB LEU A 66 -8.819 8.427 2.072 1.00 2.16 C ATOM 1031 CG LEU A 66 -7.586 7.609 1.650 1.00 1.52 C ATOM 1032 CD1 LEU A 66 -6.729 7.240 2.854 1.00 1.76 C ATOM 1033 CD2 LEU A 66 -7.980 6.365 0.855 1.00 1.84 C ATOM 0 H LEU A 66 -10.064 6.275 2.040 1.00 1.64 H new ATOM 0 HA LEU A 66 -9.001 7.920 4.170 1.00 1.88 H new ATOM 0 HB2 LEU A 66 -9.493 8.493 1.218 1.00 2.16 H new ATOM 0 HB3 LEU A 66 -8.493 9.442 2.299 1.00 2.16 H new ATOM 0 HG LEU A 66 -6.988 8.241 0.994 1.00 1.52 H new ATOM 0 HD11 LEU A 66 -5.866 6.663 2.523 1.00 1.76 H new ATOM 0 HD12 LEU A 66 -6.389 8.149 3.351 1.00 1.76 H new ATOM 0 HD13 LEU A 66 -7.318 6.644 3.551 1.00 1.76 H new ATOM 0 HD21 LEU A 66 -7.083 5.813 0.575 1.00 1.84 H new ATOM 0 HD22 LEU A 66 -8.620 5.730 1.467 1.00 1.84 H new ATOM 0 HD23 LEU A 66 -8.518 6.663 -0.045 1.00 1.84 H new ATOM 1045 N ARG A 67 -11.988 8.189 3.721 1.00 2.14 N ATOM 1046 CA ARG A 67 -13.213 8.929 3.858 1.00 2.52 C ATOM 1047 C ARG A 67 -13.580 9.053 5.330 1.00 2.72 C ATOM 1048 O ARG A 67 -12.770 8.784 6.218 1.00 3.05 O ATOM 1049 CB ARG A 67 -14.335 8.215 3.102 1.00 2.77 C ATOM 1050 CG ARG A 67 -15.335 9.151 2.458 1.00 3.00 C ATOM 1051 CD ARG A 67 -14.889 9.572 1.072 1.00 3.22 C ATOM 1052 NE ARG A 67 -15.023 8.468 0.128 1.00 3.39 N ATOM 1053 CZ ARG A 67 -14.407 8.396 -1.046 1.00 3.94 C ATOM 1054 NH1 ARG A 67 -13.583 9.360 -1.441 1.00 4.45 N ATOM 1055 NH2 ARG A 67 -14.609 7.339 -1.823 1.00 4.37 N ATOM 0 H ARG A 67 -12.091 7.179 3.819 1.00 2.14 H new ATOM 0 HA ARG A 67 -13.077 9.926 3.440 1.00 2.52 H new ATOM 0 HB2 ARG A 67 -13.895 7.583 2.330 1.00 2.77 H new ATOM 0 HB3 ARG A 67 -14.862 7.556 3.792 1.00 2.77 H new ATOM 0 HG2 ARG A 67 -16.306 8.660 2.395 1.00 3.00 H new ATOM 0 HG3 ARG A 67 -15.464 10.034 3.084 1.00 3.00 H new ATOM 0 HD2 ARG A 67 -15.486 10.420 0.735 1.00 3.22 H new ATOM 0 HD3 ARG A 67 -13.852 9.905 1.104 1.00 3.22 H new ATOM 0 HE ARG A 67 -15.635 7.695 0.389 1.00 3.39 H new ATOM 0 HH11 ARG A 67 -13.417 10.167 -0.840 1.00 4.45 H new ATOM 0 HH12 ARG A 67 -13.116 9.293 -2.345 1.00 4.45 H new ATOM 0 HH21 ARG A 67 -15.232 6.592 -1.516 1.00 4.37 H new ATOM 0 HH22 ARG A 67 -14.141 7.274 -2.727 1.00 4.37 H new ATOM 1069 N LYS A 68 -14.814 9.431 5.571 1.00 2.79 N ATOM 1070 CA LYS A 68 -15.325 9.589 6.923 1.00 3.26 C ATOM 1071 C LYS A 68 -16.369 8.518 7.210 1.00 3.31 C ATOM 1072 O LYS A 68 -17.473 8.538 6.661 1.00 3.49 O ATOM 1073 CB LYS A 68 -15.904 10.997 7.127 1.00 3.73 C ATOM 1074 CG LYS A 68 -16.864 11.440 6.037 1.00 4.12 C ATOM 1075 CD LYS A 68 -17.428 12.824 6.319 1.00 4.65 C ATOM 1076 CE LYS A 68 -18.347 13.289 5.203 1.00 5.37 C ATOM 1077 NZ LYS A 68 -17.631 13.413 3.907 1.00 5.92 N ATOM 0 H LYS A 68 -15.495 9.639 4.840 1.00 2.79 H new ATOM 0 HA LYS A 68 -14.502 9.468 7.627 1.00 3.26 H new ATOM 0 HB2 LYS A 68 -16.421 11.029 8.086 1.00 3.73 H new ATOM 0 HB3 LYS A 68 -15.082 11.711 7.184 1.00 3.73 H new ATOM 0 HG2 LYS A 68 -16.348 11.445 5.077 1.00 4.12 H new ATOM 0 HG3 LYS A 68 -17.681 10.723 5.957 1.00 4.12 H new ATOM 0 HD2 LYS A 68 -17.976 12.809 7.261 1.00 4.65 H new ATOM 0 HD3 LYS A 68 -16.610 13.534 6.437 1.00 4.65 H new ATOM 0 HE2 LYS A 68 -19.172 12.585 5.095 1.00 5.37 H new ATOM 0 HE3 LYS A 68 -18.783 14.252 5.470 1.00 5.37 H new ATOM 0 HZ1 LYS A 68 -18.210 13.964 3.242 1.00 5.92 H new ATOM 0 HZ2 LYS A 68 -16.722 13.896 4.057 1.00 5.92 H new ATOM 0 HZ3 LYS A 68 -17.459 12.466 3.513 1.00 5.92 H new ATOM 1091 N GLY A 69 -15.995 7.568 8.054 1.00 3.64 N ATOM 1092 CA GLY A 69 -16.864 6.451 8.349 1.00 4.05 C ATOM 1093 C GLY A 69 -16.316 5.161 7.781 1.00 4.58 C ATOM 1094 O GLY A 69 -16.760 4.697 6.727 1.00 5.06 O ATOM 0 H GLY A 69 -15.099 7.552 8.542 1.00 3.64 H new ATOM 0 HA2 GLY A 69 -16.981 6.354 9.428 1.00 4.05 H new ATOM 0 HA3 GLY A 69 -17.855 6.640 7.936 1.00 4.05 H new ATOM 1098 N HIS A 70 -15.341 4.587 8.474 1.00 4.87 N ATOM 1099 CA HIS A 70 -14.681 3.369 8.015 1.00 5.68 C ATOM 1100 C HIS A 70 -15.643 2.187 7.978 1.00 6.44 C ATOM 1101 O HIS A 70 -16.451 2.003 8.888 1.00 6.88 O ATOM 1102 CB HIS A 70 -13.482 3.040 8.906 1.00 5.88 C ATOM 1103 CG HIS A 70 -12.219 3.727 8.491 1.00 5.93 C ATOM 1104 ND1 HIS A 70 -11.270 3.133 7.686 1.00 6.60 N ATOM 1105 CD2 HIS A 70 -11.746 4.962 8.778 1.00 5.65 C ATOM 1106 CE1 HIS A 70 -10.268 3.971 7.499 1.00 6.67 C ATOM 1107 NE2 HIS A 70 -10.532 5.089 8.150 1.00 6.10 N ATOM 0 H HIS A 70 -14.987 4.947 9.361 1.00 4.87 H new ATOM 0 HA HIS A 70 -14.332 3.551 6.998 1.00 5.68 H new ATOM 0 HB2 HIS A 70 -13.716 3.319 9.933 1.00 5.88 H new ATOM 0 HB3 HIS A 70 -13.319 1.962 8.898 1.00 5.88 H new ATOM 0 HD2 HIS A 70 -12.233 5.709 9.388 1.00 5.65 H new ATOM 0 HE1 HIS A 70 -9.382 3.776 6.913 1.00 6.67 H new ATOM 0 HE2 HIS A 70 -9.932 5.913 8.181 1.00 6.10 H new ATOM 1116 N SER A 71 -15.552 1.393 6.923 1.00 6.86 N ATOM 1117 CA SER A 71 -16.422 0.239 6.760 1.00 7.78 C ATOM 1118 C SER A 71 -15.767 -1.017 7.327 1.00 8.28 C ATOM 1119 O SER A 71 -16.445 -1.907 7.842 1.00 8.52 O ATOM 1120 CB SER A 71 -16.735 0.034 5.279 1.00 8.22 C ATOM 1121 OG SER A 71 -17.119 1.252 4.663 1.00 8.32 O ATOM 0 H SER A 71 -14.883 1.527 6.165 1.00 6.86 H new ATOM 0 HA SER A 71 -17.347 0.423 7.306 1.00 7.78 H new ATOM 0 HB2 SER A 71 -15.860 -0.373 4.772 1.00 8.22 H new ATOM 0 HB3 SER A 71 -17.535 -0.699 5.172 1.00 8.22 H new ATOM 0 HG SER A 71 -17.312 1.093 3.715 1.00 8.32 H new ATOM 1127 N GLU A 72 -14.447 -1.070 7.246 1.00 8.69 N ATOM 1128 CA GLU A 72 -13.691 -2.242 7.667 1.00 9.41 C ATOM 1129 C GLU A 72 -13.396 -2.174 9.165 1.00 10.13 C ATOM 1130 O GLU A 72 -13.418 -3.190 9.863 1.00 10.75 O ATOM 1131 CB GLU A 72 -12.382 -2.370 6.854 1.00 9.75 C ATOM 1132 CG GLU A 72 -11.276 -1.373 7.221 1.00 9.88 C ATOM 1133 CD GLU A 72 -11.601 0.072 6.874 1.00 10.01 C ATOM 1134 OE1 GLU A 72 -12.548 0.637 7.450 1.00 10.45 O ATOM 1135 OE2 GLU A 72 -10.932 0.642 5.992 1.00 9.88 O ATOM 0 H GLU A 72 -13.871 -0.308 6.889 1.00 8.69 H new ATOM 0 HA GLU A 72 -14.294 -3.130 7.475 1.00 9.41 H new ATOM 0 HB2 GLU A 72 -11.993 -3.380 6.981 1.00 9.75 H new ATOM 0 HB3 GLU A 72 -12.618 -2.250 5.797 1.00 9.75 H new ATOM 0 HG2 GLU A 72 -11.079 -1.443 8.291 1.00 9.88 H new ATOM 0 HG3 GLU A 72 -10.358 -1.661 6.709 1.00 9.88 H new ATOM 1142 N GLY A 73 -13.137 -0.968 9.649 1.00 10.25 N ATOM 1143 CA GLY A 73 -12.848 -0.770 11.053 1.00 11.09 C ATOM 1144 C GLY A 73 -11.583 0.039 11.256 1.00 11.37 C ATOM 1145 O GLY A 73 -11.604 1.092 11.898 1.00 11.62 O ATOM 0 H GLY A 73 -13.122 -0.116 9.088 1.00 10.25 H new ATOM 0 HA2 GLY A 73 -13.686 -0.261 11.529 1.00 11.09 H new ATOM 0 HA3 GLY A 73 -12.744 -1.738 11.543 1.00 11.09 H new ATOM 1149 N GLY A 74 -10.482 -0.451 10.703 1.00 11.55 N ATOM 1150 CA GLY A 74 -9.216 0.242 10.827 1.00 12.06 C ATOM 1151 C GLY A 74 -8.390 -0.302 11.973 1.00 12.56 C ATOM 1152 O GLY A 74 -8.502 -1.511 12.267 1.00 12.99 O ATOM 1153 OXT GLY A 74 -7.643 0.473 12.603 1.00 12.71 O ATOM 0 H GLY A 74 -10.444 -1.319 10.169 1.00 11.55 H new ATOM 0 HA2 GLY A 74 -8.656 0.146 9.897 1.00 12.06 H new ATOM 0 HA3 GLY A 74 -9.397 1.306 10.982 1.00 12.06 H new TER 1157 GLY A 74