USER MOD reduce.3.24.130724 H: found=0, std=0, add=1000, rem=0, adj=48 USER MOD reduce.3.24.130724 removed 767 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 102 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 111 ASN :FLIP amide:sc= 0 F(o=-1.2,f=0) USER MOD Set 2.1: A 94 THR OG1 : rot 157:sc= 0.307 USER MOD Set 2.2: A 99 LYS NZ :NH3+ 167:sc= 0.324 (180deg=0) USER MOD Set 3.1: A 73 THR OG1 : rot -71:sc= 1.9 USER MOD Set 3.2: A 75 THR OG1 : rot -42:sc= 0.661 USER MOD Set 4.1: A 19 MET CE :methyl 141:sc= -0.622 (180deg=-3.91!) USER MOD Set 4.2: A 20 LYS NZ :NH3+ -128:sc= -0.17 (180deg=-0.296) USER MOD Set 5.1: A 12 GLN :FLIP amide:sc= -4.38 F(o=-19!,f=-15) USER MOD Set 5.2: A 14 ASN : amide:sc= -11! C(o=-15!,f=-19!) USER MOD Set 6.1: A 6 LYS NZ :NH3+ 144:sc= -3.89! (180deg=-2.31!) USER MOD Set 6.2: A 8 GLN :FLIP amide:sc= -4.68! C(o=-11!,f=-8.6!) USER MOD Single : A 4 SER OG : rot 40:sc= 1.3 USER MOD Single : A 7 TYR OH : rot -125:sc= 0.219 USER MOD Single : A 10 GLN :FLIP amide:sc= -1.7 F(o=-2.4!,f=-1.7) USER MOD Single : A 11 SER OG : rot 180:sc= -0.294 USER MOD Single : A 22 MET CE :methyl -170:sc= -1.37 (180deg=-1.42) USER MOD Single : A 30 GLN :FLIP amide:sc= -6.41! C(o=-7.4!,f=-6.4!) USER MOD Single : A 31 LYS NZ :NH3+ 138:sc=-0.00572 (180deg=-1.41!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ -163:sc= -0.0809 (180deg=-0.379) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 43 HIS :FLIP no HE2:sc= -0.0855 F(o=-1.1,f=-0.086) USER MOD Single : A 46 LYS NZ :NH3+ 169:sc= -0.0164 (180deg=-0.171) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 166:sc= -0.0686 (180deg=-0.387) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 TYR OH : rot 180:sc= -0.0248 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 134:sc= -1.94 (180deg=-2.21!) USER MOD Single : A 60 HIS : no HD1:sc= -0.0517 X(o=-0.052,f=-0.00026) USER MOD Single : A 61 ASN :FLIP amide:sc= -0.543 F(o=-3.4!,f=-0.54) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 CYS SG : rot 140:sc= -0.0386 USER MOD Single : A 74 MET CE :methyl 132:sc= -0.232 (180deg=-0.914) USER MOD Single : A 78 LYS NZ :NH3+ 167:sc=-0.00985 (180deg=-0.246) USER MOD Single : A 80 LYS NZ :NH3+ 167:sc= -0.0219 (180deg=-0.287) USER MOD Single : A 84 LYS NZ :NH3+ -165:sc= -0.0344 (180deg=-0.242) USER MOD Single : A 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 89 ASN :FLIP amide:sc= -3.36 F(o=-4.4,f=-3.4) USER MOD Single : A 90 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0428) USER MOD Single : A 91 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ -170:sc=-0.00149 (180deg=-0.111) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 105 ASN :FLIP amide:sc= -2.53 F(o=-3.3!,f=-2.5) USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 THR OG1 : rot 180:sc= 0 USER MOD Single : A 112 THR OG1 : rot 85:sc= 0.246 USER MOD Single : A 113 MET CE :methyl 178:sc= -0.619 (180deg=-0.629) USER MOD Single : A 114 THR OG1 : rot 180:sc= 0 USER MOD Single : A 120 TYR OH : rot 180:sc= -0.0441 USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 SER OG : rot 160:sc= -0.533 USER MOD Single : A 125 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 52 N SER A 4 10.907 8.140 -4.429 1.00 0.64 N ATOM 53 CA SER A 4 10.521 7.853 -5.810 1.00 0.56 C ATOM 54 C SER A 4 11.360 6.720 -6.393 1.00 0.52 C ATOM 55 O SER A 4 12.538 6.571 -6.068 1.00 0.75 O ATOM 56 CB SER A 4 10.651 9.104 -6.686 1.00 0.69 C ATOM 57 OG SER A 4 10.239 8.841 -8.015 1.00 1.53 O ATOM 0 HA SER A 4 9.477 7.540 -5.799 1.00 0.56 H new ATOM 0 HB2 SER A 4 10.047 9.909 -6.267 1.00 0.69 H new ATOM 0 HB3 SER A 4 11.686 9.447 -6.684 1.00 0.69 H new ATOM 0 HG SER A 4 9.450 8.260 -8.004 1.00 1.53 H new ATOM 63 N GLY A 5 10.737 5.927 -7.256 1.00 0.43 N ATOM 64 CA GLY A 5 11.422 4.811 -7.877 1.00 0.45 C ATOM 65 C GLY A 5 10.466 3.704 -8.275 1.00 0.40 C ATOM 66 O GLY A 5 9.313 3.692 -7.847 1.00 0.54 O ATOM 0 H GLY A 5 9.763 6.039 -7.538 1.00 0.43 H new ATOM 0 HA2 GLY A 5 11.958 5.161 -8.759 1.00 0.45 H new ATOM 0 HA3 GLY A 5 12.167 4.415 -7.187 1.00 0.45 H new ATOM 70 N LYS A 6 10.942 2.774 -9.096 1.00 0.36 N ATOM 71 CA LYS A 6 10.114 1.663 -9.548 1.00 0.35 C ATOM 72 C LYS A 6 10.418 0.406 -8.737 1.00 0.30 C ATOM 73 O LYS A 6 11.578 0.041 -8.552 1.00 0.36 O ATOM 74 CB LYS A 6 10.335 1.408 -11.040 1.00 0.47 C ATOM 75 CG LYS A 6 9.176 0.693 -11.714 1.00 1.02 C ATOM 76 CD LYS A 6 9.251 -0.811 -11.518 1.00 1.43 C ATOM 77 CE LYS A 6 8.101 -1.518 -12.213 1.00 1.75 C ATOM 78 NZ LYS A 6 8.188 -2.997 -12.066 1.00 2.38 N ATOM 0 H LYS A 6 11.894 2.768 -9.461 1.00 0.36 H new ATOM 0 HA LYS A 6 9.067 1.925 -9.394 1.00 0.35 H new ATOM 0 HB2 LYS A 6 10.504 2.361 -11.542 1.00 0.47 H new ATOM 0 HB3 LYS A 6 11.241 0.815 -11.168 1.00 0.47 H new ATOM 0 HG2 LYS A 6 8.235 1.066 -11.310 1.00 1.02 H new ATOM 0 HG3 LYS A 6 9.178 0.921 -12.780 1.00 1.02 H new ATOM 0 HD2 LYS A 6 10.198 -1.184 -11.908 1.00 1.43 H new ATOM 0 HD3 LYS A 6 9.232 -1.042 -10.453 1.00 1.43 H new ATOM 0 HE2 LYS A 6 7.156 -1.167 -11.799 1.00 1.75 H new ATOM 0 HE3 LYS A 6 8.101 -1.258 -13.271 1.00 1.75 H new ATOM 0 HZ1 LYS A 6 7.231 -3.393 -11.970 1.00 2.38 H new ATOM 0 HZ2 LYS A 6 8.648 -3.403 -12.906 1.00 2.38 H new ATOM 0 HZ3 LYS A 6 8.745 -3.230 -11.219 1.00 2.38 H new ATOM 92 N TYR A 7 9.365 -0.251 -8.260 1.00 0.30 N ATOM 93 CA TYR A 7 9.507 -1.457 -7.453 1.00 0.29 C ATOM 94 C TYR A 7 8.530 -2.526 -7.930 1.00 0.30 C ATOM 95 O TYR A 7 7.453 -2.206 -8.436 1.00 0.42 O ATOM 96 CB TYR A 7 9.269 -1.120 -5.979 1.00 0.34 C ATOM 97 CG TYR A 7 9.929 0.177 -5.561 1.00 0.49 C ATOM 98 CD1 TYR A 7 11.299 0.244 -5.345 1.00 0.70 C ATOM 99 CD2 TYR A 7 9.183 1.339 -5.403 1.00 0.77 C ATOM 100 CE1 TYR A 7 11.907 1.430 -4.977 1.00 0.89 C ATOM 101 CE2 TYR A 7 9.784 2.529 -5.039 1.00 0.93 C ATOM 102 CZ TYR A 7 11.146 2.570 -4.827 1.00 0.91 C ATOM 103 OH TYR A 7 11.748 3.753 -4.463 1.00 1.13 O ATOM 0 H TYR A 7 8.399 0.034 -8.420 1.00 0.30 H new ATOM 0 HA TYR A 7 10.518 -1.849 -7.562 1.00 0.29 H new ATOM 0 HB2 TYR A 7 8.197 -1.053 -5.795 1.00 0.34 H new ATOM 0 HB3 TYR A 7 9.649 -1.932 -5.359 1.00 0.34 H new ATOM 0 HD1 TYR A 7 11.900 -0.645 -5.466 1.00 0.70 H new ATOM 0 HD2 TYR A 7 8.116 1.311 -5.567 1.00 0.77 H new ATOM 0 HE1 TYR A 7 12.973 1.463 -4.808 1.00 0.89 H new ATOM 0 HE2 TYR A 7 9.190 3.423 -4.921 1.00 0.93 H new ATOM 0 HH TYR A 7 11.313 4.108 -3.660 1.00 1.13 H new ATOM 113 N GLN A 8 8.900 -3.792 -7.770 1.00 0.31 N ATOM 114 CA GLN A 8 8.049 -4.889 -8.215 1.00 0.35 C ATOM 115 C GLN A 8 7.622 -5.783 -7.057 1.00 0.35 C ATOM 116 O GLN A 8 8.450 -6.455 -6.442 1.00 0.38 O ATOM 117 CB GLN A 8 8.776 -5.732 -9.264 1.00 0.44 C ATOM 118 CG GLN A 8 7.834 -6.542 -10.138 1.00 0.41 C ATOM 119 CD GLN A 8 7.055 -5.666 -11.098 1.00 0.92 C ATOM 120 OE1 GLN A 8 6.001 -5.032 -10.596 1.00 1.39 O flip ATOM 121 NE2 GLN A 8 7.408 -5.541 -12.270 1.00 1.23 N flip ATOM 0 H GLN A 8 9.777 -4.083 -7.339 1.00 0.31 H new ATOM 0 HA GLN A 8 7.154 -4.446 -8.651 1.00 0.35 H new ATOM 0 HB2 GLN A 8 9.375 -5.076 -9.896 1.00 0.44 H new ATOM 0 HB3 GLN A 8 9.467 -6.409 -8.762 1.00 0.44 H new ATOM 0 HG2 GLN A 8 8.406 -7.278 -10.702 1.00 0.41 H new ATOM 0 HG3 GLN A 8 7.139 -7.095 -9.506 1.00 0.41 H new ATOM 0 HE21 GLN A 8 8.224 -6.047 -12.614 1.00 1.23 H new ATOM 0 HE22 GLN A 8 6.884 -4.931 -12.898 1.00 1.23 H new ATOM 128 N VAL A 9 6.323 -5.795 -6.771 1.00 0.40 N ATOM 129 CA VAL A 9 5.786 -6.631 -5.706 1.00 0.45 C ATOM 130 C VAL A 9 5.876 -8.097 -6.116 1.00 0.52 C ATOM 131 O VAL A 9 5.259 -8.512 -7.097 1.00 0.67 O ATOM 132 CB VAL A 9 4.319 -6.278 -5.400 1.00 0.56 C ATOM 133 CG1 VAL A 9 3.792 -7.115 -4.245 1.00 1.18 C ATOM 134 CG2 VAL A 9 4.179 -4.794 -5.099 1.00 1.24 C ATOM 0 H VAL A 9 5.625 -5.236 -7.262 1.00 0.40 H new ATOM 0 HA VAL A 9 6.375 -6.454 -4.807 1.00 0.45 H new ATOM 0 HB VAL A 9 3.721 -6.506 -6.282 1.00 0.56 H new ATOM 0 HG11 VAL A 9 2.754 -6.849 -4.047 1.00 1.18 H new ATOM 0 HG12 VAL A 9 3.852 -8.172 -4.505 1.00 1.18 H new ATOM 0 HG13 VAL A 9 4.392 -6.925 -3.355 1.00 1.18 H new ATOM 0 HG21 VAL A 9 3.135 -4.563 -4.885 1.00 1.24 H new ATOM 0 HG22 VAL A 9 4.792 -4.539 -4.234 1.00 1.24 H new ATOM 0 HG23 VAL A 9 4.509 -4.215 -5.961 1.00 1.24 H new ATOM 138 N GLN A 10 6.644 -8.876 -5.366 1.00 0.50 N ATOM 139 CA GLN A 10 6.833 -10.287 -5.677 1.00 0.61 C ATOM 140 C GLN A 10 5.781 -11.163 -5.005 1.00 0.72 C ATOM 141 O GLN A 10 4.989 -11.823 -5.678 1.00 1.01 O ATOM 142 CB GLN A 10 8.231 -10.730 -5.249 1.00 0.71 C ATOM 143 CG GLN A 10 9.349 -9.890 -5.845 1.00 0.90 C ATOM 144 CD GLN A 10 10.711 -10.256 -5.286 1.00 1.52 C ATOM 145 OE1 GLN A 10 11.747 -10.085 -6.099 1.00 2.20 O flip ATOM 146 NE2 GLN A 10 10.831 -10.685 -4.139 1.00 2.11 N flip ATOM 0 H GLN A 10 7.146 -8.555 -4.538 1.00 0.50 H new ATOM 0 HA GLN A 10 6.723 -10.407 -6.755 1.00 0.61 H new ATOM 0 HB2 GLN A 10 8.298 -10.689 -4.162 1.00 0.71 H new ATOM 0 HB3 GLN A 10 8.377 -11.771 -5.538 1.00 0.71 H new ATOM 0 HG2 GLN A 10 9.358 -10.018 -6.927 1.00 0.90 H new ATOM 0 HG3 GLN A 10 9.151 -8.836 -5.650 1.00 0.90 H new ATOM 0 HE21 GLN A 10 10.007 -10.801 -3.549 1.00 2.11 H new ATOM 0 HE22 GLN A 10 11.754 -10.925 -3.778 1.00 2.11 H new ATOM 153 N SER A 11 5.776 -11.168 -3.677 1.00 0.56 N ATOM 154 CA SER A 11 4.826 -11.981 -2.924 1.00 0.70 C ATOM 155 C SER A 11 4.431 -11.307 -1.614 1.00 0.54 C ATOM 156 O SER A 11 5.050 -10.329 -1.195 1.00 0.54 O ATOM 157 CB SER A 11 5.420 -13.362 -2.642 1.00 0.97 C ATOM 158 OG SER A 11 4.512 -14.170 -1.914 1.00 1.72 O ATOM 0 H SER A 11 6.416 -10.621 -3.101 1.00 0.56 H new ATOM 0 HA SER A 11 3.928 -12.092 -3.531 1.00 0.70 H new ATOM 0 HB2 SER A 11 5.673 -13.851 -3.583 1.00 0.97 H new ATOM 0 HB3 SER A 11 6.347 -13.254 -2.079 1.00 0.97 H new ATOM 0 HG SER A 11 4.915 -15.048 -1.748 1.00 1.72 H new ATOM 164 N GLN A 12 3.394 -11.842 -0.973 1.00 0.56 N ATOM 165 CA GLN A 12 2.905 -11.295 0.288 1.00 0.50 C ATOM 166 C GLN A 12 2.397 -12.410 1.200 1.00 0.46 C ATOM 167 O GLN A 12 1.672 -13.304 0.759 1.00 0.59 O ATOM 168 CB GLN A 12 1.780 -10.295 0.016 1.00 0.70 C ATOM 169 CG GLN A 12 1.606 -9.250 1.104 1.00 0.85 C ATOM 170 CD GLN A 12 1.021 -9.813 2.386 1.00 0.99 C ATOM 171 OE1 GLN A 12 1.377 -9.204 3.513 1.00 2.01 O flip ATOM 172 NE2 GLN A 12 0.255 -10.777 2.363 1.00 0.82 N flip ATOM 0 H GLN A 12 2.876 -12.655 -1.308 1.00 0.56 H new ATOM 0 HA GLN A 12 3.730 -10.787 0.789 1.00 0.50 H new ATOM 0 HB2 GLN A 12 1.977 -9.790 -0.930 1.00 0.70 H new ATOM 0 HB3 GLN A 12 0.844 -10.840 -0.103 1.00 0.70 H new ATOM 0 HG2 GLN A 12 2.573 -8.797 1.322 1.00 0.85 H new ATOM 0 HG3 GLN A 12 0.958 -8.455 0.735 1.00 0.85 H new ATOM 0 HE21 GLN A 12 0.010 -11.213 1.474 1.00 0.82 H new ATOM 0 HE22 GLN A 12 -0.134 -11.140 3.233 1.00 0.82 H new ATOM 179 N GLU A 13 2.781 -12.356 2.473 1.00 0.47 N ATOM 180 CA GLU A 13 2.356 -13.360 3.444 1.00 0.52 C ATOM 181 C GLU A 13 1.301 -12.788 4.385 1.00 0.45 C ATOM 182 O GLU A 13 1.291 -11.587 4.635 1.00 0.47 O ATOM 183 CB GLU A 13 3.556 -13.864 4.250 1.00 0.71 C ATOM 184 CG GLU A 13 4.255 -12.776 5.050 1.00 1.16 C ATOM 185 CD GLU A 13 5.456 -13.296 5.817 1.00 1.72 C ATOM 186 OE1 GLU A 13 5.271 -13.785 6.951 1.00 2.07 O ATOM 187 OE2 GLU A 13 6.582 -13.216 5.281 1.00 2.39 O ATOM 0 H GLU A 13 3.385 -11.628 2.856 1.00 0.47 H new ATOM 0 HA GLU A 13 1.919 -14.196 2.898 1.00 0.52 H new ATOM 0 HB2 GLU A 13 3.222 -14.646 4.932 1.00 0.71 H new ATOM 0 HB3 GLU A 13 4.274 -14.320 3.569 1.00 0.71 H new ATOM 0 HG2 GLU A 13 4.576 -11.983 4.375 1.00 1.16 H new ATOM 0 HG3 GLU A 13 3.546 -12.332 5.749 1.00 1.16 H new ATOM 194 N ASN A 14 0.429 -13.670 4.896 1.00 0.47 N ATOM 195 CA ASN A 14 -0.659 -13.304 5.820 1.00 0.52 C ATOM 196 C ASN A 14 -1.952 -13.003 5.065 1.00 0.56 C ATOM 197 O ASN A 14 -2.866 -12.382 5.605 1.00 0.92 O ATOM 198 CB ASN A 14 -0.279 -12.115 6.723 1.00 0.62 C ATOM 199 CG ASN A 14 -0.795 -10.776 6.208 1.00 1.26 C ATOM 200 OD1 ASN A 14 -0.889 -10.545 5.002 1.00 1.88 O ATOM 201 ND2 ASN A 14 -1.135 -9.882 7.129 1.00 1.78 N ATOM 0 H ASN A 14 0.458 -14.666 4.679 1.00 0.47 H new ATOM 0 HA ASN A 14 -0.825 -14.169 6.462 1.00 0.52 H new ATOM 0 HB2 ASN A 14 -0.674 -12.288 7.724 1.00 0.62 H new ATOM 0 HB3 ASN A 14 0.806 -12.068 6.812 1.00 0.62 H new ATOM 0 HD21 ASN A 14 -1.488 -8.968 6.846 1.00 1.78 H new ATOM 0 HD22 ASN A 14 -1.043 -10.110 8.119 1.00 1.78 H new ATOM 206 N PHE A 15 -2.034 -13.468 3.827 1.00 0.52 N ATOM 207 CA PHE A 15 -3.216 -13.236 3.005 1.00 0.59 C ATOM 208 C PHE A 15 -4.454 -13.923 3.582 1.00 0.59 C ATOM 209 O PHE A 15 -5.506 -13.301 3.717 1.00 0.66 O ATOM 210 CB PHE A 15 -2.972 -13.714 1.573 1.00 0.73 C ATOM 211 CG PHE A 15 -2.704 -12.601 0.598 1.00 1.40 C ATOM 212 CD1 PHE A 15 -3.586 -11.537 0.477 1.00 1.85 C ATOM 213 CD2 PHE A 15 -1.572 -12.622 -0.201 1.00 2.40 C ATOM 214 CE1 PHE A 15 -3.342 -10.515 -0.423 1.00 2.66 C ATOM 215 CE2 PHE A 15 -1.324 -11.604 -1.103 1.00 3.26 C ATOM 216 CZ PHE A 15 -2.210 -10.549 -1.214 1.00 3.24 C ATOM 0 H PHE A 15 -1.299 -14.007 3.369 1.00 0.52 H new ATOM 0 HA PHE A 15 -3.403 -12.162 3.000 1.00 0.59 H new ATOM 0 HB2 PHE A 15 -2.125 -14.400 1.568 1.00 0.73 H new ATOM 0 HB3 PHE A 15 -3.841 -14.279 1.235 1.00 0.73 H new ATOM 0 HD1 PHE A 15 -4.473 -11.506 1.092 1.00 1.85 H new ATOM 0 HD2 PHE A 15 -0.875 -13.443 -0.118 1.00 2.40 H new ATOM 0 HE1 PHE A 15 -4.036 -9.692 -0.507 1.00 2.66 H new ATOM 0 HE2 PHE A 15 -0.438 -11.633 -1.721 1.00 3.26 H new ATOM 0 HZ PHE A 15 -2.018 -9.753 -1.918 1.00 3.24 H new ATOM 226 N GLU A 16 -4.327 -15.205 3.919 1.00 0.65 N ATOM 227 CA GLU A 16 -5.450 -15.971 4.464 1.00 0.72 C ATOM 228 C GLU A 16 -6.068 -15.299 5.700 1.00 0.62 C ATOM 229 O GLU A 16 -7.285 -15.136 5.767 1.00 0.68 O ATOM 230 CB GLU A 16 -5.013 -17.399 4.804 1.00 0.86 C ATOM 231 CG GLU A 16 -4.486 -18.174 3.607 1.00 1.03 C ATOM 232 CD GLU A 16 -4.209 -19.629 3.932 1.00 1.53 C ATOM 233 OE1 GLU A 16 -3.207 -19.902 4.629 1.00 1.96 O ATOM 234 OE2 GLU A 16 -4.994 -20.495 3.492 1.00 1.92 O ATOM 0 H GLU A 16 -3.461 -15.736 3.825 1.00 0.65 H new ATOM 0 HA GLU A 16 -6.218 -16.004 3.691 1.00 0.72 H new ATOM 0 HB2 GLU A 16 -4.239 -17.361 5.571 1.00 0.86 H new ATOM 0 HB3 GLU A 16 -5.859 -17.937 5.231 1.00 0.86 H new ATOM 0 HG2 GLU A 16 -5.211 -18.118 2.795 1.00 1.03 H new ATOM 0 HG3 GLU A 16 -3.570 -17.704 3.249 1.00 1.03 H new ATOM 241 N PRO A 17 -5.258 -14.918 6.710 1.00 0.54 N ATOM 242 CA PRO A 17 -5.779 -14.268 7.921 1.00 0.52 C ATOM 243 C PRO A 17 -6.245 -12.831 7.680 1.00 0.45 C ATOM 244 O PRO A 17 -7.273 -12.411 8.208 1.00 0.50 O ATOM 245 CB PRO A 17 -4.585 -14.289 8.878 1.00 0.59 C ATOM 246 CG PRO A 17 -3.388 -14.332 7.993 1.00 0.72 C ATOM 247 CD PRO A 17 -3.797 -15.114 6.776 1.00 0.59 C ATOM 0 HA PRO A 17 -6.662 -14.782 8.300 1.00 0.52 H new ATOM 0 HB2 PRO A 17 -4.574 -13.405 9.516 1.00 0.59 H new ATOM 0 HB3 PRO A 17 -4.621 -15.157 9.537 1.00 0.59 H new ATOM 0 HG2 PRO A 17 -3.068 -13.326 7.721 1.00 0.72 H new ATOM 0 HG3 PRO A 17 -2.547 -14.808 8.498 1.00 0.72 H new ATOM 0 HD2 PRO A 17 -3.302 -14.745 5.878 1.00 0.59 H new ATOM 0 HD3 PRO A 17 -3.538 -16.168 6.872 1.00 0.59 H new ATOM 255 N PHE A 18 -5.488 -12.081 6.880 1.00 0.44 N ATOM 256 CA PHE A 18 -5.826 -10.688 6.583 1.00 0.54 C ATOM 257 C PHE A 18 -7.146 -10.583 5.814 1.00 0.62 C ATOM 258 O PHE A 18 -7.962 -9.703 6.082 1.00 0.68 O ATOM 259 CB PHE A 18 -4.699 -10.033 5.775 1.00 0.65 C ATOM 260 CG PHE A 18 -4.985 -8.614 5.372 1.00 0.90 C ATOM 261 CD1 PHE A 18 -4.898 -7.585 6.297 1.00 1.08 C ATOM 262 CD2 PHE A 18 -5.341 -8.310 4.069 1.00 1.08 C ATOM 263 CE1 PHE A 18 -5.163 -6.280 5.928 1.00 1.36 C ATOM 264 CE2 PHE A 18 -5.607 -7.008 3.694 1.00 1.35 C ATOM 265 CZ PHE A 18 -5.509 -5.989 4.626 1.00 1.46 C ATOM 0 H PHE A 18 -4.637 -12.413 6.426 1.00 0.44 H new ATOM 0 HA PHE A 18 -5.945 -10.164 7.532 1.00 0.54 H new ATOM 0 HB2 PHE A 18 -3.782 -10.055 6.364 1.00 0.65 H new ATOM 0 HB3 PHE A 18 -4.516 -10.625 4.878 1.00 0.65 H new ATOM 0 HD1 PHE A 18 -4.620 -7.806 7.317 1.00 1.08 H new ATOM 0 HD2 PHE A 18 -5.412 -9.101 3.337 1.00 1.08 H new ATOM 0 HE1 PHE A 18 -5.099 -5.488 6.660 1.00 1.36 H new ATOM 0 HE2 PHE A 18 -5.891 -6.785 2.676 1.00 1.35 H new ATOM 0 HZ PHE A 18 -5.703 -4.968 4.333 1.00 1.46 H new ATOM 275 N MET A 19 -7.344 -11.486 4.862 1.00 0.68 N ATOM 276 CA MET A 19 -8.555 -11.498 4.042 1.00 0.83 C ATOM 277 C MET A 19 -9.796 -11.768 4.884 1.00 0.81 C ATOM 278 O MET A 19 -10.852 -11.181 4.649 1.00 0.90 O ATOM 279 CB MET A 19 -8.400 -12.526 2.912 1.00 0.96 C ATOM 280 CG MET A 19 -8.643 -13.971 3.316 1.00 1.91 C ATOM 281 SD MET A 19 -10.391 -14.419 3.340 1.00 3.37 S ATOM 282 CE MET A 19 -10.284 -16.200 3.492 1.00 4.48 C ATOM 0 H MET A 19 -6.679 -12.225 4.636 1.00 0.68 H new ATOM 0 HA MET A 19 -8.690 -10.512 3.598 1.00 0.83 H new ATOM 0 HB2 MET A 19 -9.092 -12.268 2.110 1.00 0.96 H new ATOM 0 HB3 MET A 19 -7.393 -12.444 2.503 1.00 0.96 H new ATOM 0 HG2 MET A 19 -8.116 -14.628 2.625 1.00 1.91 H new ATOM 0 HG3 MET A 19 -8.217 -14.141 4.305 1.00 1.91 H new ATOM 0 HE1 MET A 19 -11.064 -16.555 4.165 1.00 4.48 H new ATOM 0 HE2 MET A 19 -10.415 -16.657 2.511 1.00 4.48 H new ATOM 0 HE3 MET A 19 -9.308 -16.473 3.893 1.00 4.48 H new ATOM 292 N LYS A 20 -9.673 -12.644 5.870 1.00 0.73 N ATOM 293 CA LYS A 20 -10.800 -12.961 6.732 1.00 0.79 C ATOM 294 C LYS A 20 -11.132 -11.783 7.645 1.00 0.72 C ATOM 295 O LYS A 20 -12.299 -11.434 7.824 1.00 0.79 O ATOM 296 CB LYS A 20 -10.491 -14.202 7.572 1.00 0.85 C ATOM 297 CG LYS A 20 -10.629 -15.510 6.809 1.00 1.02 C ATOM 298 CD LYS A 20 -10.456 -16.708 7.726 1.00 1.37 C ATOM 299 CE LYS A 20 -10.624 -18.018 6.972 1.00 1.63 C ATOM 300 NZ LYS A 20 -11.972 -18.134 6.352 1.00 2.27 N ATOM 0 H LYS A 20 -8.812 -13.144 6.091 1.00 0.73 H new ATOM 0 HA LYS A 20 -11.665 -13.164 6.101 1.00 0.79 H new ATOM 0 HB2 LYS A 20 -9.475 -14.123 7.959 1.00 0.85 H new ATOM 0 HB3 LYS A 20 -11.159 -14.222 8.433 1.00 0.85 H new ATOM 0 HG2 LYS A 20 -11.608 -15.553 6.332 1.00 1.02 H new ATOM 0 HG3 LYS A 20 -9.885 -15.549 6.013 1.00 1.02 H new ATOM 0 HD2 LYS A 20 -9.468 -16.676 8.185 1.00 1.37 H new ATOM 0 HD3 LYS A 20 -11.185 -16.657 8.535 1.00 1.37 H new ATOM 0 HE2 LYS A 20 -9.861 -18.091 6.197 1.00 1.63 H new ATOM 0 HE3 LYS A 20 -10.466 -18.853 7.655 1.00 1.63 H new ATOM 0 HZ1 LYS A 20 -12.405 -19.038 6.629 1.00 2.27 H new ATOM 0 HZ2 LYS A 20 -12.572 -17.349 6.677 1.00 2.27 H new ATOM 0 HZ3 LYS A 20 -11.882 -18.096 5.317 1.00 2.27 H new ATOM 314 N ALA A 21 -10.096 -11.175 8.217 1.00 0.64 N ATOM 315 CA ALA A 21 -10.268 -10.034 9.110 1.00 0.64 C ATOM 316 C ALA A 21 -10.682 -8.778 8.346 1.00 0.65 C ATOM 317 O ALA A 21 -11.812 -8.305 8.469 1.00 0.85 O ATOM 318 CB ALA A 21 -8.986 -9.779 9.889 1.00 0.67 C ATOM 0 H ALA A 21 -9.125 -11.455 8.077 1.00 0.64 H new ATOM 0 HA ALA A 21 -11.070 -10.276 9.808 1.00 0.64 H new ATOM 0 HB1 ALA A 21 -9.127 -8.925 10.552 1.00 0.67 H new ATOM 0 HB2 ALA A 21 -8.738 -10.660 10.480 1.00 0.67 H new ATOM 0 HB3 ALA A 21 -8.174 -9.568 9.194 1.00 0.67 H new ATOM 324 N MET A 22 -9.747 -8.244 7.563 1.00 0.66 N ATOM 325 CA MET A 22 -9.986 -7.034 6.777 1.00 0.72 C ATOM 326 C MET A 22 -11.252 -7.149 5.932 1.00 0.74 C ATOM 327 O MET A 22 -12.079 -6.236 5.919 1.00 0.90 O ATOM 328 CB MET A 22 -8.780 -6.749 5.876 1.00 0.75 C ATOM 329 CG MET A 22 -9.021 -5.644 4.858 1.00 0.88 C ATOM 330 SD MET A 22 -9.512 -4.085 5.620 1.00 1.45 S ATOM 331 CE MET A 22 -8.087 -3.743 6.651 1.00 2.05 C ATOM 0 H MET A 22 -8.810 -8.633 7.455 1.00 0.66 H new ATOM 0 HA MET A 22 -10.126 -6.208 7.474 1.00 0.72 H new ATOM 0 HB2 MET A 22 -7.929 -6.476 6.500 1.00 0.75 H new ATOM 0 HB3 MET A 22 -8.508 -7.663 5.348 1.00 0.75 H new ATOM 0 HG2 MET A 22 -8.113 -5.488 4.276 1.00 0.88 H new ATOM 0 HG3 MET A 22 -9.796 -5.962 4.160 1.00 0.88 H new ATOM 0 HE1 MET A 22 -8.311 -2.910 7.317 1.00 2.05 H new ATOM 0 HE2 MET A 22 -7.846 -4.626 7.243 1.00 2.05 H new ATOM 0 HE3 MET A 22 -7.236 -3.485 6.021 1.00 2.05 H new ATOM 341 N GLY A 23 -11.403 -8.267 5.230 1.00 0.79 N ATOM 342 CA GLY A 23 -12.574 -8.452 4.394 1.00 0.85 C ATOM 343 C GLY A 23 -12.226 -8.912 2.991 1.00 0.84 C ATOM 344 O GLY A 23 -13.103 -9.006 2.131 1.00 0.97 O ATOM 0 H GLY A 23 -10.741 -9.043 5.225 1.00 0.79 H new ATOM 0 HA2 GLY A 23 -13.235 -9.184 4.858 1.00 0.85 H new ATOM 0 HA3 GLY A 23 -13.127 -7.514 4.338 1.00 0.85 H new ATOM 348 N LEU A 24 -10.949 -9.200 2.755 1.00 0.77 N ATOM 349 CA LEU A 24 -10.511 -9.664 1.445 1.00 0.78 C ATOM 350 C LEU A 24 -10.939 -11.113 1.257 1.00 0.71 C ATOM 351 O LEU A 24 -11.010 -11.874 2.214 1.00 0.68 O ATOM 352 CB LEU A 24 -8.986 -9.514 1.295 1.00 0.78 C ATOM 353 CG LEU A 24 -8.399 -9.878 -0.073 1.00 0.89 C ATOM 354 CD1 LEU A 24 -8.741 -8.813 -1.106 1.00 1.45 C ATOM 355 CD2 LEU A 24 -6.891 -10.045 0.029 1.00 1.26 C ATOM 0 H LEU A 24 -10.206 -9.121 3.449 1.00 0.77 H new ATOM 0 HA LEU A 24 -10.977 -9.053 0.672 1.00 0.78 H new ATOM 0 HB2 LEU A 24 -8.720 -8.480 1.517 1.00 0.78 H new ATOM 0 HB3 LEU A 24 -8.505 -10.136 2.050 1.00 0.78 H new ATOM 0 HG LEU A 24 -8.838 -10.823 -0.394 1.00 0.89 H new ATOM 0 HD11 LEU A 24 -8.315 -9.091 -2.070 1.00 1.45 H new ATOM 0 HD12 LEU A 24 -9.824 -8.730 -1.198 1.00 1.45 H new ATOM 0 HD13 LEU A 24 -8.329 -7.854 -0.790 1.00 1.45 H new ATOM 0 HD21 LEU A 24 -6.487 -10.303 -0.950 1.00 1.26 H new ATOM 0 HD22 LEU A 24 -6.444 -9.112 0.371 1.00 1.26 H new ATOM 0 HD23 LEU A 24 -6.660 -10.840 0.738 1.00 1.26 H new ATOM 361 N PRO A 25 -11.312 -11.491 0.034 1.00 0.76 N ATOM 362 CA PRO A 25 -11.737 -12.841 -0.289 1.00 0.74 C ATOM 363 C PRO A 25 -10.597 -13.684 -0.837 1.00 0.67 C ATOM 364 O PRO A 25 -9.804 -13.216 -1.656 1.00 0.67 O ATOM 365 CB PRO A 25 -12.799 -12.600 -1.377 1.00 0.85 C ATOM 366 CG PRO A 25 -12.741 -11.127 -1.674 1.00 0.94 C ATOM 367 CD PRO A 25 -11.438 -10.645 -1.137 1.00 0.89 C ATOM 0 HA PRO A 25 -12.100 -13.389 0.581 1.00 0.74 H new ATOM 0 HB2 PRO A 25 -12.588 -13.189 -2.269 1.00 0.85 H new ATOM 0 HB3 PRO A 25 -13.790 -12.892 -1.030 1.00 0.85 H new ATOM 0 HG2 PRO A 25 -12.812 -10.943 -2.746 1.00 0.94 H new ATOM 0 HG3 PRO A 25 -13.573 -10.602 -1.205 1.00 0.94 H new ATOM 0 HD2 PRO A 25 -10.620 -10.787 -1.843 1.00 0.89 H new ATOM 0 HD3 PRO A 25 -11.459 -9.585 -0.884 1.00 0.89 H new ATOM 375 N GLU A 26 -10.512 -14.921 -0.372 1.00 0.64 N ATOM 376 CA GLU A 26 -9.471 -15.836 -0.829 1.00 0.60 C ATOM 377 C GLU A 26 -9.438 -15.896 -2.349 1.00 0.60 C ATOM 378 O GLU A 26 -8.382 -16.083 -2.942 1.00 0.59 O ATOM 379 CB GLU A 26 -9.694 -17.240 -0.271 1.00 0.64 C ATOM 380 CG GLU A 26 -8.554 -17.730 0.607 1.00 1.42 C ATOM 381 CD GLU A 26 -8.816 -19.103 1.193 1.00 1.61 C ATOM 382 OE1 GLU A 26 -8.523 -20.107 0.509 1.00 1.74 O ATOM 383 OE2 GLU A 26 -9.317 -19.175 2.335 1.00 1.99 O ATOM 0 H GLU A 26 -11.149 -15.316 0.320 1.00 0.64 H new ATOM 0 HA GLU A 26 -8.516 -15.458 -0.464 1.00 0.60 H new ATOM 0 HB2 GLU A 26 -10.618 -17.250 0.307 1.00 0.64 H new ATOM 0 HB3 GLU A 26 -9.829 -17.935 -1.100 1.00 0.64 H new ATOM 0 HG2 GLU A 26 -7.636 -17.759 0.021 1.00 1.42 H new ATOM 0 HG3 GLU A 26 -8.393 -17.018 1.417 1.00 1.42 H new ATOM 390 N ASP A 27 -10.594 -15.707 -2.980 1.00 0.65 N ATOM 391 CA ASP A 27 -10.667 -15.744 -4.435 1.00 0.70 C ATOM 392 C ASP A 27 -9.661 -14.760 -5.014 1.00 0.70 C ATOM 393 O ASP A 27 -8.952 -15.066 -5.971 1.00 0.71 O ATOM 394 CB ASP A 27 -12.081 -15.400 -4.906 1.00 0.80 C ATOM 395 CG ASP A 27 -12.214 -15.442 -6.414 1.00 1.44 C ATOM 396 OD1 ASP A 27 -12.418 -16.546 -6.962 1.00 1.62 O ATOM 397 OD2 ASP A 27 -12.116 -14.371 -7.050 1.00 2.29 O ATOM 0 H ASP A 27 -11.483 -15.529 -2.512 1.00 0.65 H new ATOM 0 HA ASP A 27 -10.428 -16.749 -4.782 1.00 0.70 H new ATOM 0 HB2 ASP A 27 -12.789 -16.100 -4.462 1.00 0.80 H new ATOM 0 HB3 ASP A 27 -12.348 -14.406 -4.548 1.00 0.80 H new ATOM 402 N LEU A 28 -9.616 -13.576 -4.419 1.00 0.73 N ATOM 403 CA LEU A 28 -8.675 -12.545 -4.829 1.00 0.78 C ATOM 404 C LEU A 28 -7.253 -12.953 -4.450 1.00 0.74 C ATOM 405 O LEU A 28 -6.300 -12.658 -5.169 1.00 0.77 O ATOM 406 CB LEU A 28 -9.036 -11.199 -4.194 1.00 0.90 C ATOM 407 CG LEU A 28 -10.083 -10.383 -4.955 1.00 1.08 C ATOM 408 CD1 LEU A 28 -11.392 -11.151 -5.064 1.00 1.65 C ATOM 409 CD2 LEU A 28 -10.309 -9.039 -4.279 1.00 1.60 C ATOM 0 H LEU A 28 -10.224 -13.305 -3.646 1.00 0.73 H new ATOM 0 HA LEU A 28 -8.731 -12.434 -5.912 1.00 0.78 H new ATOM 0 HB2 LEU A 28 -9.402 -11.378 -3.183 1.00 0.90 H new ATOM 0 HB3 LEU A 28 -8.128 -10.602 -4.103 1.00 0.90 H new ATOM 0 HG LEU A 28 -9.707 -10.204 -5.962 1.00 1.08 H new ATOM 0 HD11 LEU A 28 -12.121 -10.551 -5.609 1.00 1.65 H new ATOM 0 HD12 LEU A 28 -11.222 -12.087 -5.596 1.00 1.65 H new ATOM 0 HD13 LEU A 28 -11.772 -11.366 -4.065 1.00 1.65 H new ATOM 0 HD21 LEU A 28 -11.057 -8.473 -4.835 1.00 1.60 H new ATOM 0 HD22 LEU A 28 -10.659 -9.199 -3.259 1.00 1.60 H new ATOM 0 HD23 LEU A 28 -9.373 -8.480 -4.258 1.00 1.60 H new ATOM 415 N ILE A 29 -7.125 -13.633 -3.307 1.00 0.70 N ATOM 416 CA ILE A 29 -5.824 -14.078 -2.816 1.00 0.72 C ATOM 417 C ILE A 29 -5.124 -14.981 -3.827 1.00 0.66 C ATOM 418 O ILE A 29 -3.950 -14.786 -4.140 1.00 0.70 O ATOM 419 CB ILE A 29 -5.953 -14.843 -1.483 1.00 0.76 C ATOM 420 CG1 ILE A 29 -6.256 -13.872 -0.340 1.00 1.01 C ATOM 421 CG2 ILE A 29 -4.679 -15.633 -1.194 1.00 0.90 C ATOM 422 CD1 ILE A 29 -6.402 -14.556 0.999 1.00 1.27 C ATOM 0 H ILE A 29 -7.909 -13.886 -2.706 1.00 0.70 H new ATOM 0 HA ILE A 29 -5.230 -13.177 -2.661 1.00 0.72 H new ATOM 0 HB ILE A 29 -6.781 -15.548 -1.566 1.00 0.76 H new ATOM 0 HG12 ILE A 29 -5.457 -13.133 -0.278 1.00 1.01 H new ATOM 0 HG13 ILE A 29 -7.174 -13.330 -0.566 1.00 1.01 H new ATOM 0 HG21 ILE A 29 -4.788 -16.166 -0.250 1.00 0.90 H new ATOM 0 HG22 ILE A 29 -4.505 -16.349 -1.997 1.00 0.90 H new ATOM 0 HG23 ILE A 29 -3.833 -14.948 -1.128 1.00 0.90 H new ATOM 0 HD11 ILE A 29 -6.616 -13.812 1.766 1.00 1.27 H new ATOM 0 HD12 ILE A 29 -7.220 -15.275 0.953 1.00 1.27 H new ATOM 0 HD13 ILE A 29 -5.476 -15.075 1.245 1.00 1.27 H new ATOM 426 N GLN A 30 -5.852 -15.971 -4.332 1.00 0.61 N ATOM 427 CA GLN A 30 -5.300 -16.914 -5.296 1.00 0.62 C ATOM 428 C GLN A 30 -4.896 -16.215 -6.590 1.00 0.62 C ATOM 429 O GLN A 30 -3.855 -16.517 -7.170 1.00 0.64 O ATOM 430 CB GLN A 30 -6.309 -18.028 -5.585 1.00 0.68 C ATOM 431 CG GLN A 30 -6.451 -19.027 -4.444 1.00 0.73 C ATOM 432 CD GLN A 30 -7.249 -18.491 -3.278 1.00 0.99 C ATOM 433 OE1 GLN A 30 -6.564 -17.873 -2.323 1.00 1.44 O flip ATOM 434 NE2 GLN A 30 -8.471 -18.635 -3.231 1.00 1.08 N flip ATOM 0 H GLN A 30 -6.828 -16.141 -4.089 1.00 0.61 H new ATOM 0 HA GLN A 30 -4.402 -17.352 -4.860 1.00 0.62 H new ATOM 0 HB2 GLN A 30 -7.282 -17.582 -5.791 1.00 0.68 H new ATOM 0 HB3 GLN A 30 -6.004 -18.559 -6.487 1.00 0.68 H new ATOM 0 HG2 GLN A 30 -6.931 -19.931 -4.819 1.00 0.73 H new ATOM 0 HG3 GLN A 30 -5.459 -19.314 -4.095 1.00 0.73 H new ATOM 0 HE21 GLN A 30 -8.957 -19.117 -3.987 1.00 1.08 H new ATOM 0 HE22 GLN A 30 -8.997 -18.273 -2.436 1.00 1.08 H new ATOM 441 N LYS A 31 -5.727 -15.288 -7.044 1.00 0.65 N ATOM 442 CA LYS A 31 -5.444 -14.543 -8.266 1.00 0.72 C ATOM 443 C LYS A 31 -4.268 -13.589 -8.070 1.00 0.72 C ATOM 444 O LYS A 31 -3.513 -13.318 -9.004 1.00 0.76 O ATOM 445 CB LYS A 31 -6.683 -13.767 -8.711 1.00 0.86 C ATOM 446 CG LYS A 31 -7.844 -14.663 -9.109 1.00 1.19 C ATOM 447 CD LYS A 31 -9.112 -13.860 -9.339 1.00 1.49 C ATOM 448 CE LYS A 31 -10.205 -14.713 -9.964 1.00 2.17 C ATOM 449 NZ LYS A 31 -10.507 -15.917 -9.144 1.00 2.84 N ATOM 0 H LYS A 31 -6.602 -15.033 -6.586 1.00 0.65 H new ATOM 0 HA LYS A 31 -5.174 -15.259 -9.043 1.00 0.72 H new ATOM 0 HB2 LYS A 31 -7.001 -13.110 -7.902 1.00 0.86 H new ATOM 0 HB3 LYS A 31 -6.420 -13.129 -9.555 1.00 0.86 H new ATOM 0 HG2 LYS A 31 -7.589 -15.210 -10.017 1.00 1.19 H new ATOM 0 HG3 LYS A 31 -8.018 -15.404 -8.329 1.00 1.19 H new ATOM 0 HD2 LYS A 31 -9.464 -13.453 -8.391 1.00 1.49 H new ATOM 0 HD3 LYS A 31 -8.894 -13.012 -9.988 1.00 1.49 H new ATOM 0 HE2 LYS A 31 -11.110 -14.116 -10.079 1.00 2.17 H new ATOM 0 HE3 LYS A 31 -9.898 -15.022 -10.963 1.00 2.17 H new ATOM 0 HZ1 LYS A 31 -11.536 -16.062 -9.106 1.00 2.84 H new ATOM 0 HZ2 LYS A 31 -10.055 -16.750 -9.572 1.00 2.84 H new ATOM 0 HZ3 LYS A 31 -10.141 -15.781 -8.180 1.00 2.84 H new ATOM 463 N GLY A 32 -4.117 -13.084 -6.848 1.00 0.73 N ATOM 464 CA GLY A 32 -3.045 -12.149 -6.551 1.00 0.81 C ATOM 465 C GLY A 32 -1.696 -12.816 -6.341 1.00 0.76 C ATOM 466 O GLY A 32 -0.667 -12.275 -6.744 1.00 0.83 O ATOM 0 H GLY A 32 -4.720 -13.307 -6.056 1.00 0.73 H new ATOM 0 HA2 GLY A 32 -2.963 -11.432 -7.368 1.00 0.81 H new ATOM 0 HA3 GLY A 32 -3.305 -11.584 -5.656 1.00 0.81 H new ATOM 470 N LYS A 33 -1.691 -13.985 -5.708 1.00 0.72 N ATOM 471 CA LYS A 33 -0.442 -14.700 -5.448 1.00 0.76 C ATOM 472 C LYS A 33 0.251 -15.083 -6.750 1.00 0.70 C ATOM 473 O LYS A 33 1.472 -15.249 -6.788 1.00 0.77 O ATOM 474 CB LYS A 33 -0.700 -15.950 -4.601 1.00 0.83 C ATOM 475 CG LYS A 33 -1.627 -16.959 -5.258 1.00 0.79 C ATOM 476 CD LYS A 33 -1.757 -18.226 -4.426 1.00 0.92 C ATOM 477 CE LYS A 33 -0.460 -19.020 -4.410 1.00 1.16 C ATOM 478 NZ LYS A 33 -0.581 -20.268 -3.606 1.00 1.82 N ATOM 0 H LYS A 33 -2.529 -14.456 -5.367 1.00 0.72 H new ATOM 0 HA LYS A 33 0.215 -14.030 -4.893 1.00 0.76 H new ATOM 0 HB2 LYS A 33 0.253 -16.434 -4.385 1.00 0.83 H new ATOM 0 HB3 LYS A 33 -1.128 -15.647 -3.645 1.00 0.83 H new ATOM 0 HG2 LYS A 33 -2.611 -16.512 -5.398 1.00 0.79 H new ATOM 0 HG3 LYS A 33 -1.248 -17.211 -6.248 1.00 0.79 H new ATOM 0 HD2 LYS A 33 -2.037 -17.965 -3.406 1.00 0.92 H new ATOM 0 HD3 LYS A 33 -2.559 -18.845 -4.828 1.00 0.92 H new ATOM 0 HE2 LYS A 33 -0.177 -19.273 -5.432 1.00 1.16 H new ATOM 0 HE3 LYS A 33 0.339 -18.401 -4.002 1.00 1.16 H new ATOM 0 HZ1 LYS A 33 0.324 -20.780 -3.621 1.00 1.82 H new ATOM 0 HZ2 LYS A 33 -0.826 -20.026 -2.625 1.00 1.82 H new ATOM 0 HZ3 LYS A 33 -1.326 -20.871 -4.010 1.00 1.82 H new ATOM 492 N ASP A 34 -0.529 -15.221 -7.816 1.00 0.64 N ATOM 493 CA ASP A 34 0.017 -15.580 -9.121 1.00 0.65 C ATOM 494 C ASP A 34 0.398 -14.332 -9.913 1.00 0.57 C ATOM 495 O ASP A 34 1.264 -14.383 -10.787 1.00 0.60 O ATOM 496 CB ASP A 34 -0.991 -16.417 -9.912 1.00 0.74 C ATOM 497 CG ASP A 34 -1.197 -17.794 -9.313 1.00 1.17 C ATOM 498 OD1 ASP A 34 -0.377 -18.693 -9.594 1.00 1.17 O ATOM 499 OD2 ASP A 34 -2.177 -17.973 -8.560 1.00 1.89 O ATOM 0 H ASP A 34 -1.540 -15.090 -7.803 1.00 0.64 H new ATOM 0 HA ASP A 34 0.917 -16.174 -8.958 1.00 0.65 H new ATOM 0 HB2 ASP A 34 -1.946 -15.893 -9.947 1.00 0.74 H new ATOM 0 HB3 ASP A 34 -0.646 -16.520 -10.941 1.00 0.74 H new ATOM 504 N ILE A 35 -0.250 -13.213 -9.601 1.00 0.52 N ATOM 505 CA ILE A 35 0.025 -11.955 -10.283 1.00 0.48 C ATOM 506 C ILE A 35 0.892 -11.038 -9.423 1.00 0.43 C ATOM 507 O ILE A 35 0.480 -10.609 -8.345 1.00 0.46 O ATOM 508 CB ILE A 35 -1.282 -11.216 -10.647 1.00 0.52 C ATOM 509 CG1 ILE A 35 -2.178 -12.105 -11.516 1.00 0.61 C ATOM 510 CG2 ILE A 35 -0.976 -9.905 -11.357 1.00 0.55 C ATOM 511 CD1 ILE A 35 -1.561 -12.488 -12.847 1.00 1.28 C ATOM 0 H ILE A 35 -0.969 -13.153 -8.880 1.00 0.52 H new ATOM 0 HA ILE A 35 0.562 -12.203 -11.198 1.00 0.48 H new ATOM 0 HB ILE A 35 -1.816 -10.988 -9.725 1.00 0.52 H new ATOM 0 HG12 ILE A 35 -2.417 -13.013 -10.963 1.00 0.61 H new ATOM 0 HG13 ILE A 35 -3.119 -11.586 -11.699 1.00 0.61 H new ATOM 0 HG21 ILE A 35 -1.909 -9.399 -11.605 1.00 0.55 H new ATOM 0 HG22 ILE A 35 -0.380 -9.268 -10.703 1.00 0.55 H new ATOM 0 HG23 ILE A 35 -0.419 -10.108 -12.272 1.00 0.55 H new ATOM 0 HD11 ILE A 35 -2.256 -13.117 -13.403 1.00 1.28 H new ATOM 0 HD12 ILE A 35 -1.348 -11.587 -13.422 1.00 1.28 H new ATOM 0 HD13 ILE A 35 -0.635 -13.036 -12.674 1.00 1.28 H new ATOM 515 N LYS A 36 2.094 -10.738 -9.907 1.00 0.40 N ATOM 516 CA LYS A 36 3.015 -9.868 -9.184 1.00 0.38 C ATOM 517 C LYS A 36 2.648 -8.403 -9.397 1.00 0.38 C ATOM 518 O LYS A 36 2.854 -7.853 -10.479 1.00 0.51 O ATOM 519 CB LYS A 36 4.455 -10.117 -9.641 1.00 0.41 C ATOM 520 CG LYS A 36 4.958 -11.514 -9.317 1.00 1.03 C ATOM 521 CD LYS A 36 6.433 -11.666 -9.650 1.00 1.53 C ATOM 522 CE LYS A 36 6.943 -13.052 -9.288 1.00 2.02 C ATOM 523 NZ LYS A 36 6.739 -13.359 -7.844 1.00 2.58 N ATOM 0 H LYS A 36 2.452 -11.085 -10.797 1.00 0.40 H new ATOM 0 HA LYS A 36 2.937 -10.097 -8.121 1.00 0.38 H new ATOM 0 HB2 LYS A 36 4.520 -9.956 -10.717 1.00 0.41 H new ATOM 0 HB3 LYS A 36 5.110 -9.385 -9.169 1.00 0.41 H new ATOM 0 HG2 LYS A 36 4.799 -11.723 -8.259 1.00 1.03 H new ATOM 0 HG3 LYS A 36 4.380 -12.249 -9.877 1.00 1.03 H new ATOM 0 HD2 LYS A 36 6.588 -11.486 -10.714 1.00 1.53 H new ATOM 0 HD3 LYS A 36 7.009 -10.913 -9.112 1.00 1.53 H new ATOM 0 HE2 LYS A 36 6.429 -13.798 -9.894 1.00 2.02 H new ATOM 0 HE3 LYS A 36 8.004 -13.123 -9.528 1.00 2.02 H new ATOM 0 HZ1 LYS A 36 7.340 -14.163 -7.572 1.00 2.58 H new ATOM 0 HZ2 LYS A 36 6.994 -12.528 -7.273 1.00 2.58 H new ATOM 0 HZ3 LYS A 36 5.741 -13.600 -7.678 1.00 2.58 H new ATOM 537 N GLY A 37 2.101 -7.780 -8.358 1.00 0.45 N ATOM 538 CA GLY A 37 1.705 -6.387 -8.449 1.00 0.49 C ATOM 539 C GLY A 37 2.853 -5.475 -8.833 1.00 0.40 C ATOM 540 O GLY A 37 4.018 -5.864 -8.756 1.00 0.39 O ATOM 0 H GLY A 37 1.925 -8.216 -7.453 1.00 0.45 H new ATOM 0 HA2 GLY A 37 0.907 -6.288 -9.184 1.00 0.49 H new ATOM 0 HA3 GLY A 37 1.297 -6.066 -7.490 1.00 0.49 H new ATOM 544 N VAL A 38 2.520 -4.255 -9.244 1.00 0.42 N ATOM 545 CA VAL A 38 3.527 -3.277 -9.638 1.00 0.40 C ATOM 546 C VAL A 38 3.407 -2.018 -8.790 1.00 0.40 C ATOM 547 O VAL A 38 2.303 -1.556 -8.505 1.00 0.48 O ATOM 548 CB VAL A 38 3.392 -2.889 -11.124 1.00 0.51 C ATOM 549 CG1 VAL A 38 4.608 -2.099 -11.585 1.00 0.67 C ATOM 550 CG2 VAL A 38 3.191 -4.126 -11.986 1.00 0.80 C ATOM 0 H VAL A 38 1.559 -3.920 -9.313 1.00 0.42 H new ATOM 0 HA VAL A 38 4.501 -3.740 -9.483 1.00 0.40 H new ATOM 0 HB VAL A 38 2.513 -2.253 -11.234 1.00 0.51 H new ATOM 0 HG11 VAL A 38 4.493 -1.835 -12.636 1.00 0.67 H new ATOM 0 HG12 VAL A 38 4.698 -1.190 -10.990 1.00 0.67 H new ATOM 0 HG13 VAL A 38 5.505 -2.705 -11.459 1.00 0.67 H new ATOM 0 HG21 VAL A 38 3.098 -3.830 -13.031 1.00 0.80 H new ATOM 0 HG22 VAL A 38 4.047 -4.792 -11.872 1.00 0.80 H new ATOM 0 HG23 VAL A 38 2.284 -4.644 -11.673 1.00 0.80 H new ATOM 554 N SER A 39 4.546 -1.467 -8.385 1.00 0.37 N ATOM 555 CA SER A 39 4.553 -0.265 -7.562 1.00 0.40 C ATOM 556 C SER A 39 5.435 0.821 -8.167 1.00 0.39 C ATOM 557 O SER A 39 6.623 0.611 -8.411 1.00 0.44 O ATOM 558 CB SER A 39 5.036 -0.598 -6.149 1.00 0.47 C ATOM 559 OG SER A 39 4.195 -1.559 -5.536 1.00 1.40 O ATOM 0 H SER A 39 5.471 -1.832 -8.612 1.00 0.37 H new ATOM 0 HA SER A 39 3.532 0.114 -7.518 1.00 0.40 H new ATOM 0 HB2 SER A 39 6.057 -0.977 -6.190 1.00 0.47 H new ATOM 0 HB3 SER A 39 5.057 0.309 -5.545 1.00 0.47 H new ATOM 0 HG SER A 39 4.526 -1.756 -4.635 1.00 1.40 H new ATOM 565 N GLU A 40 4.838 1.983 -8.401 1.00 0.38 N ATOM 566 CA GLU A 40 5.555 3.123 -8.957 1.00 0.39 C ATOM 567 C GLU A 40 5.206 4.380 -8.172 1.00 0.39 C ATOM 568 O GLU A 40 4.033 4.728 -8.032 1.00 0.45 O ATOM 569 CB GLU A 40 5.211 3.307 -10.437 1.00 0.43 C ATOM 570 CG GLU A 40 5.762 2.210 -11.329 1.00 1.21 C ATOM 571 CD GLU A 40 5.235 2.293 -12.747 1.00 1.54 C ATOM 572 OE1 GLU A 40 5.808 3.059 -13.549 1.00 1.57 O ATOM 573 OE2 GLU A 40 4.249 1.592 -13.057 1.00 2.16 O ATOM 0 H GLU A 40 3.851 2.161 -8.213 1.00 0.38 H new ATOM 0 HA GLU A 40 6.626 2.938 -8.878 1.00 0.39 H new ATOM 0 HB2 GLU A 40 4.127 3.344 -10.548 1.00 0.43 H new ATOM 0 HB3 GLU A 40 5.599 4.268 -10.775 1.00 0.43 H new ATOM 0 HG2 GLU A 40 6.850 2.272 -11.345 1.00 1.21 H new ATOM 0 HG3 GLU A 40 5.505 1.239 -10.906 1.00 1.21 H new ATOM 580 N ILE A 41 6.225 5.060 -7.658 1.00 0.39 N ATOM 581 CA ILE A 41 6.007 6.262 -6.866 1.00 0.41 C ATOM 582 C ILE A 41 6.794 7.449 -7.406 1.00 0.40 C ATOM 583 O ILE A 41 8.005 7.364 -7.610 1.00 0.43 O ATOM 584 CB ILE A 41 6.407 6.034 -5.394 1.00 0.48 C ATOM 585 CG1 ILE A 41 5.984 4.634 -4.939 1.00 0.57 C ATOM 586 CG2 ILE A 41 5.779 7.098 -4.508 1.00 0.55 C ATOM 587 CD1 ILE A 41 6.508 4.254 -3.571 1.00 1.16 C ATOM 0 H ILE A 41 7.204 4.800 -7.775 1.00 0.39 H new ATOM 0 HA ILE A 41 4.942 6.485 -6.930 1.00 0.41 H new ATOM 0 HB ILE A 41 7.491 6.110 -5.309 1.00 0.48 H new ATOM 0 HG12 ILE A 41 4.895 4.578 -4.930 1.00 0.57 H new ATOM 0 HG13 ILE A 41 6.334 3.903 -5.668 1.00 0.57 H new ATOM 0 HG21 ILE A 41 6.069 6.926 -3.471 1.00 0.55 H new ATOM 0 HG22 ILE A 41 6.124 8.083 -4.822 1.00 0.55 H new ATOM 0 HG23 ILE A 41 4.694 7.049 -4.594 1.00 0.55 H new ATOM 0 HD11 ILE A 41 6.168 3.250 -3.317 1.00 1.16 H new ATOM 0 HD12 ILE A 41 7.598 4.276 -3.580 1.00 1.16 H new ATOM 0 HD13 ILE A 41 6.137 4.962 -2.830 1.00 1.16 H new ATOM 591 N VAL A 42 6.093 8.555 -7.637 1.00 0.39 N ATOM 592 CA VAL A 42 6.720 9.770 -8.136 1.00 0.41 C ATOM 593 C VAL A 42 6.800 10.812 -7.024 1.00 0.41 C ATOM 594 O VAL A 42 5.777 11.297 -6.546 1.00 0.42 O ATOM 595 CB VAL A 42 5.941 10.360 -9.327 1.00 0.45 C ATOM 596 CG1 VAL A 42 6.705 11.522 -9.943 1.00 0.52 C ATOM 597 CG2 VAL A 42 5.658 9.286 -10.368 1.00 0.50 C ATOM 0 H VAL A 42 5.087 8.633 -7.485 1.00 0.39 H new ATOM 0 HA VAL A 42 7.722 9.508 -8.474 1.00 0.41 H new ATOM 0 HB VAL A 42 4.986 10.737 -8.960 1.00 0.45 H new ATOM 0 HG11 VAL A 42 6.139 11.925 -10.783 1.00 0.52 H new ATOM 0 HG12 VAL A 42 6.848 12.301 -9.194 1.00 0.52 H new ATOM 0 HG13 VAL A 42 7.676 11.173 -10.294 1.00 0.52 H new ATOM 0 HG21 VAL A 42 5.107 9.723 -11.201 1.00 0.50 H new ATOM 0 HG22 VAL A 42 6.600 8.875 -10.732 1.00 0.50 H new ATOM 0 HG23 VAL A 42 5.064 8.490 -9.918 1.00 0.50 H new ATOM 601 N HIS A 43 8.018 11.153 -6.620 1.00 0.45 N ATOM 602 CA HIS A 43 8.219 12.128 -5.553 1.00 0.48 C ATOM 603 C HIS A 43 8.696 13.465 -6.112 1.00 0.51 C ATOM 604 O HIS A 43 9.776 13.557 -6.697 1.00 0.58 O ATOM 605 CB HIS A 43 9.227 11.595 -4.533 1.00 0.57 C ATOM 606 CG HIS A 43 9.380 12.464 -3.322 1.00 0.72 C ATOM 607 ND1 HIS A 43 9.835 13.734 -3.190 1.00 1.30 N flip ATOM 608 CD2 HIS A 43 9.057 12.042 -2.050 1.00 0.78 C flip ATOM 609 CE1 HIS A 43 9.780 14.049 -1.855 1.00 1.31 C flip ATOM 610 NE2 HIS A 43 9.306 13.014 -1.189 1.00 0.87 N flip ATOM 0 H HIS A 43 8.878 10.771 -7.013 1.00 0.45 H new ATOM 0 HA HIS A 43 7.261 12.289 -5.058 1.00 0.48 H new ATOM 0 HB2 HIS A 43 8.917 10.599 -4.217 1.00 0.57 H new ATOM 0 HB3 HIS A 43 10.198 11.489 -5.017 1.00 0.57 H new ATOM 0 HD1 HIS A 43 10.158 14.342 -3.942 1.00 1.30 H new ATOM 0 HD2 HIS A 43 8.662 11.069 -1.796 1.00 0.78 H new ATOM 0 HE1 HIS A 43 10.077 14.992 -1.420 1.00 1.31 H new ATOM 619 N GLU A 44 7.880 14.497 -5.926 1.00 0.51 N ATOM 620 CA GLU A 44 8.213 15.835 -6.398 1.00 0.58 C ATOM 621 C GLU A 44 7.851 16.879 -5.345 1.00 0.61 C ATOM 622 O GLU A 44 6.683 17.242 -5.196 1.00 0.64 O ATOM 623 CB GLU A 44 7.481 16.134 -7.707 1.00 0.63 C ATOM 624 CG GLU A 44 7.847 17.477 -8.317 1.00 1.32 C ATOM 625 CD GLU A 44 9.328 17.599 -8.615 1.00 1.93 C ATOM 626 OE1 GLU A 44 9.762 17.126 -9.686 1.00 2.45 O ATOM 627 OE2 GLU A 44 10.058 18.166 -7.773 1.00 2.53 O ATOM 0 H GLU A 44 6.980 14.431 -5.450 1.00 0.51 H new ATOM 0 HA GLU A 44 9.287 15.879 -6.577 1.00 0.58 H new ATOM 0 HB2 GLU A 44 7.703 15.345 -8.426 1.00 0.63 H new ATOM 0 HB3 GLU A 44 6.406 16.107 -7.527 1.00 0.63 H new ATOM 0 HG2 GLU A 44 7.282 17.619 -9.238 1.00 1.32 H new ATOM 0 HG3 GLU A 44 7.551 18.274 -7.635 1.00 1.32 H new ATOM 634 N GLY A 45 8.857 17.358 -4.618 1.00 0.65 N ATOM 635 CA GLY A 45 8.621 18.352 -3.585 1.00 0.70 C ATOM 636 C GLY A 45 7.805 17.800 -2.431 1.00 0.81 C ATOM 637 O GLY A 45 8.339 17.117 -1.557 1.00 1.77 O ATOM 0 H GLY A 45 9.831 17.076 -4.726 1.00 0.65 H new ATOM 0 HA2 GLY A 45 9.577 18.717 -3.209 1.00 0.70 H new ATOM 0 HA3 GLY A 45 8.102 19.207 -4.018 1.00 0.70 H new ATOM 641 N LYS A 46 6.508 18.097 -2.428 1.00 0.68 N ATOM 642 CA LYS A 46 5.614 17.623 -1.376 1.00 0.64 C ATOM 643 C LYS A 46 4.494 16.775 -1.964 1.00 0.57 C ATOM 644 O LYS A 46 3.775 16.088 -1.238 1.00 0.60 O ATOM 645 CB LYS A 46 5.022 18.805 -0.605 1.00 0.69 C ATOM 646 CG LYS A 46 4.296 19.804 -1.485 1.00 1.50 C ATOM 647 CD LYS A 46 3.586 20.856 -0.652 1.00 1.65 C ATOM 648 CE LYS A 46 2.868 21.861 -1.532 1.00 2.57 C ATOM 649 NZ LYS A 46 1.766 21.232 -2.311 1.00 3.15 N ATOM 0 H LYS A 46 6.053 18.664 -3.143 1.00 0.68 H new ATOM 0 HA LYS A 46 6.195 17.008 -0.689 1.00 0.64 H new ATOM 0 HB2 LYS A 46 4.330 18.427 0.147 1.00 0.69 H new ATOM 0 HB3 LYS A 46 5.823 19.318 -0.072 1.00 0.69 H new ATOM 0 HG2 LYS A 46 5.007 20.286 -2.155 1.00 1.50 H new ATOM 0 HG3 LYS A 46 3.572 19.282 -2.111 1.00 1.50 H new ATOM 0 HD2 LYS A 46 2.869 20.374 0.013 1.00 1.65 H new ATOM 0 HD3 LYS A 46 4.309 21.373 -0.021 1.00 1.65 H new ATOM 0 HE2 LYS A 46 2.463 22.661 -0.913 1.00 2.57 H new ATOM 0 HE3 LYS A 46 3.582 22.318 -2.217 1.00 2.57 H new ATOM 0 HZ1 LYS A 46 1.186 21.974 -2.752 1.00 3.15 H new ATOM 0 HZ2 LYS A 46 2.168 20.621 -3.050 1.00 3.15 H new ATOM 0 HZ3 LYS A 46 1.173 20.661 -1.675 1.00 3.15 H new ATOM 663 N LYS A 47 4.352 16.831 -3.284 1.00 0.55 N ATOM 664 CA LYS A 47 3.321 16.070 -3.977 1.00 0.52 C ATOM 665 C LYS A 47 3.869 14.730 -4.451 1.00 0.47 C ATOM 666 O LYS A 47 4.748 14.678 -5.311 1.00 0.53 O ATOM 667 CB LYS A 47 2.782 16.868 -5.167 1.00 0.61 C ATOM 668 CG LYS A 47 1.739 16.118 -5.981 1.00 1.25 C ATOM 669 CD LYS A 47 1.218 16.948 -7.139 1.00 1.65 C ATOM 670 CE LYS A 47 2.332 17.354 -8.088 1.00 2.25 C ATOM 671 NZ LYS A 47 1.843 18.255 -9.169 1.00 2.71 N ATOM 0 H LYS A 47 4.940 17.397 -3.896 1.00 0.55 H new ATOM 0 HA LYS A 47 2.505 15.883 -3.278 1.00 0.52 H new ATOM 0 HB2 LYS A 47 2.346 17.798 -4.802 1.00 0.61 H new ATOM 0 HB3 LYS A 47 3.613 17.139 -5.818 1.00 0.61 H new ATOM 0 HG2 LYS A 47 2.173 15.194 -6.363 1.00 1.25 H new ATOM 0 HG3 LYS A 47 0.908 15.836 -5.334 1.00 1.25 H new ATOM 0 HD2 LYS A 47 0.465 16.379 -7.684 1.00 1.65 H new ATOM 0 HD3 LYS A 47 0.725 17.841 -6.754 1.00 1.65 H new ATOM 0 HE2 LYS A 47 3.121 17.855 -7.528 1.00 2.25 H new ATOM 0 HE3 LYS A 47 2.774 16.462 -8.532 1.00 2.25 H new ATOM 0 HZ1 LYS A 47 2.634 18.508 -9.794 1.00 2.71 H new ATOM 0 HZ2 LYS A 47 1.108 17.768 -9.721 1.00 2.71 H new ATOM 0 HZ3 LYS A 47 1.445 19.118 -8.748 1.00 2.71 H new ATOM 685 N VAL A 48 3.346 13.647 -3.885 1.00 0.44 N ATOM 686 CA VAL A 48 3.791 12.309 -4.250 1.00 0.44 C ATOM 687 C VAL A 48 2.638 11.467 -4.790 1.00 0.43 C ATOM 688 O VAL A 48 1.614 11.300 -4.127 1.00 0.52 O ATOM 689 CB VAL A 48 4.426 11.584 -3.050 1.00 0.50 C ATOM 690 CG1 VAL A 48 5.096 10.293 -3.495 1.00 1.36 C ATOM 691 CG2 VAL A 48 5.420 12.492 -2.342 1.00 1.31 C ATOM 0 H VAL A 48 2.615 13.671 -3.174 1.00 0.44 H new ATOM 0 HA VAL A 48 4.541 12.429 -5.032 1.00 0.44 H new ATOM 0 HB VAL A 48 3.635 11.329 -2.345 1.00 0.50 H new ATOM 0 HG11 VAL A 48 5.538 9.796 -2.632 1.00 1.36 H new ATOM 0 HG12 VAL A 48 4.355 9.637 -3.951 1.00 1.36 H new ATOM 0 HG13 VAL A 48 5.876 10.520 -4.222 1.00 1.36 H new ATOM 0 HG21 VAL A 48 5.859 11.962 -1.496 1.00 1.31 H new ATOM 0 HG22 VAL A 48 6.208 12.781 -3.037 1.00 1.31 H new ATOM 0 HG23 VAL A 48 4.907 13.384 -1.984 1.00 1.31 H new ATOM 695 N LYS A 49 2.816 10.941 -5.997 1.00 0.43 N ATOM 696 CA LYS A 49 1.799 10.111 -6.634 1.00 0.44 C ATOM 697 C LYS A 49 2.158 8.635 -6.516 1.00 0.42 C ATOM 698 O LYS A 49 3.278 8.234 -6.831 1.00 0.44 O ATOM 699 CB LYS A 49 1.661 10.483 -8.113 1.00 0.51 C ATOM 700 CG LYS A 49 1.224 11.920 -8.348 1.00 1.22 C ATOM 701 CD LYS A 49 -0.266 12.099 -8.111 1.00 1.35 C ATOM 702 CE LYS A 49 -0.704 13.528 -8.388 1.00 1.95 C ATOM 703 NZ LYS A 49 -0.351 13.962 -9.768 1.00 2.54 N ATOM 0 H LYS A 49 3.658 11.075 -6.556 1.00 0.43 H new ATOM 0 HA LYS A 49 0.851 10.288 -6.126 1.00 0.44 H new ATOM 0 HB2 LYS A 49 2.617 10.318 -8.610 1.00 0.51 H new ATOM 0 HB3 LYS A 49 0.939 9.813 -8.580 1.00 0.51 H new ATOM 0 HG2 LYS A 49 1.780 12.583 -7.685 1.00 1.22 H new ATOM 0 HG3 LYS A 49 1.468 12.212 -9.369 1.00 1.22 H new ATOM 0 HD2 LYS A 49 -0.823 11.416 -8.752 1.00 1.35 H new ATOM 0 HD3 LYS A 49 -0.506 11.836 -7.081 1.00 1.35 H new ATOM 0 HE2 LYS A 49 -1.782 13.611 -8.246 1.00 1.95 H new ATOM 0 HE3 LYS A 49 -0.235 14.197 -7.666 1.00 1.95 H new ATOM 0 HZ1 LYS A 49 -0.865 14.836 -9.999 1.00 2.54 H new ATOM 0 HZ2 LYS A 49 0.673 14.136 -9.826 1.00 2.54 H new ATOM 0 HZ3 LYS A 49 -0.614 13.217 -10.444 1.00 2.54 H new ATOM 717 N LEU A 50 1.204 7.825 -6.062 1.00 0.40 N ATOM 718 CA LEU A 50 1.435 6.394 -5.919 1.00 0.40 C ATOM 719 C LEU A 50 0.438 5.620 -6.769 1.00 0.36 C ATOM 720 O LEU A 50 -0.773 5.752 -6.597 1.00 0.38 O ATOM 721 CB LEU A 50 1.320 5.977 -4.449 1.00 0.48 C ATOM 722 CG LEU A 50 2.025 4.668 -4.076 1.00 0.74 C ATOM 723 CD1 LEU A 50 2.183 4.560 -2.567 1.00 1.34 C ATOM 724 CD2 LEU A 50 1.258 3.468 -4.614 1.00 1.69 C ATOM 0 H LEU A 50 0.271 8.134 -5.789 1.00 0.40 H new ATOM 0 HA LEU A 50 2.444 6.165 -6.262 1.00 0.40 H new ATOM 0 HB2 LEU A 50 1.726 6.777 -3.830 1.00 0.48 H new ATOM 0 HB3 LEU A 50 0.263 5.884 -4.198 1.00 0.48 H new ATOM 0 HG LEU A 50 3.015 4.674 -4.531 1.00 0.74 H new ATOM 0 HD11 LEU A 50 2.685 3.625 -2.320 1.00 1.34 H new ATOM 0 HD12 LEU A 50 2.777 5.398 -2.202 1.00 1.34 H new ATOM 0 HD13 LEU A 50 1.200 4.579 -2.096 1.00 1.34 H new ATOM 0 HD21 LEU A 50 1.777 2.550 -4.337 1.00 1.69 H new ATOM 0 HD22 LEU A 50 0.254 3.459 -4.191 1.00 1.69 H new ATOM 0 HD23 LEU A 50 1.193 3.535 -5.700 1.00 1.69 H new ATOM 730 N THR A 51 0.955 4.812 -7.687 1.00 0.36 N ATOM 731 CA THR A 51 0.106 4.022 -8.566 1.00 0.37 C ATOM 732 C THR A 51 0.488 2.549 -8.543 1.00 0.39 C ATOM 733 O THR A 51 1.647 2.194 -8.762 1.00 0.45 O ATOM 734 CB THR A 51 0.180 4.537 -10.016 1.00 0.47 C ATOM 735 OG1 THR A 51 -0.159 5.928 -10.060 1.00 0.61 O ATOM 736 CG2 THR A 51 -0.758 3.755 -10.924 1.00 0.63 C ATOM 0 H THR A 51 1.956 4.688 -7.841 1.00 0.36 H new ATOM 0 HA THR A 51 -0.913 4.127 -8.194 1.00 0.37 H new ATOM 0 HB THR A 51 1.201 4.398 -10.372 1.00 0.47 H new ATOM 0 HG1 THR A 51 -0.108 6.248 -10.985 1.00 0.61 H new ATOM 0 HG21 THR A 51 -0.685 4.140 -11.941 1.00 0.63 H new ATOM 0 HG22 THR A 51 -0.479 2.701 -10.914 1.00 0.63 H new ATOM 0 HG23 THR A 51 -1.783 3.863 -10.568 1.00 0.63 H new ATOM 741 N ILE A 52 -0.493 1.695 -8.281 1.00 0.41 N ATOM 742 CA ILE A 52 -0.267 0.258 -8.262 1.00 0.47 C ATOM 743 C ILE A 52 -0.927 -0.381 -9.475 1.00 0.56 C ATOM 744 O ILE A 52 -2.132 -0.238 -9.679 1.00 0.63 O ATOM 745 CB ILE A 52 -0.822 -0.389 -6.978 1.00 0.55 C ATOM 746 CG1 ILE A 52 -0.207 0.265 -5.735 1.00 1.02 C ATOM 747 CG2 ILE A 52 -0.561 -1.890 -6.981 1.00 1.10 C ATOM 748 CD1 ILE A 52 1.300 0.124 -5.648 1.00 1.76 C ATOM 0 H ILE A 52 -1.453 1.974 -8.079 1.00 0.41 H new ATOM 0 HA ILE A 52 0.810 0.090 -8.288 1.00 0.47 H new ATOM 0 HB ILE A 52 -1.900 -0.228 -6.950 1.00 0.55 H new ATOM 0 HG12 ILE A 52 -0.464 1.324 -5.729 1.00 1.02 H new ATOM 0 HG13 ILE A 52 -0.655 -0.176 -4.845 1.00 1.02 H new ATOM 0 HG21 ILE A 52 -0.959 -2.330 -6.067 1.00 1.10 H new ATOM 0 HG22 ILE A 52 -1.049 -2.342 -7.844 1.00 1.10 H new ATOM 0 HG23 ILE A 52 0.512 -2.073 -7.034 1.00 1.10 H new ATOM 0 HD11 ILE A 52 1.659 0.612 -4.742 1.00 1.76 H new ATOM 0 HD12 ILE A 52 1.566 -0.933 -5.621 1.00 1.76 H new ATOM 0 HD13 ILE A 52 1.760 0.591 -6.519 1.00 1.76 H new ATOM 752 N THR A 53 -0.142 -1.090 -10.277 1.00 0.63 N ATOM 753 CA THR A 53 -0.669 -1.727 -11.474 1.00 0.76 C ATOM 754 C THR A 53 -0.851 -3.226 -11.279 1.00 0.81 C ATOM 755 O THR A 53 0.054 -3.922 -10.818 1.00 0.80 O ATOM 756 CB THR A 53 0.252 -1.487 -12.687 1.00 0.85 C ATOM 757 OG1 THR A 53 0.450 -0.082 -12.879 1.00 0.87 O ATOM 758 CG2 THR A 53 -0.342 -2.095 -13.948 1.00 1.00 C ATOM 0 H THR A 53 0.855 -1.237 -10.121 1.00 0.63 H new ATOM 0 HA THR A 53 -1.642 -1.274 -11.664 1.00 0.76 H new ATOM 0 HB THR A 53 1.210 -1.967 -12.488 1.00 0.85 H new ATOM 0 HG1 THR A 53 1.037 0.063 -13.650 1.00 0.87 H new ATOM 0 HG21 THR A 53 0.326 -1.912 -14.790 1.00 1.00 H new ATOM 0 HG22 THR A 53 -0.467 -3.169 -13.810 1.00 1.00 H new ATOM 0 HG23 THR A 53 -1.312 -1.640 -14.149 1.00 1.00 H new ATOM 763 N TYR A 54 -2.033 -3.708 -11.637 1.00 0.93 N ATOM 764 CA TYR A 54 -2.359 -5.122 -11.529 1.00 1.04 C ATOM 765 C TYR A 54 -2.722 -5.671 -12.902 1.00 1.18 C ATOM 766 O TYR A 54 -3.116 -4.916 -13.792 1.00 1.53 O ATOM 767 CB TYR A 54 -3.517 -5.329 -10.549 1.00 1.11 C ATOM 768 CG TYR A 54 -3.788 -6.781 -10.219 1.00 1.63 C ATOM 769 CD1 TYR A 54 -3.075 -7.432 -9.221 1.00 1.53 C ATOM 770 CD2 TYR A 54 -4.755 -7.501 -10.910 1.00 2.57 C ATOM 771 CE1 TYR A 54 -3.317 -8.759 -8.918 1.00 2.31 C ATOM 772 CE2 TYR A 54 -5.004 -8.829 -10.614 1.00 3.42 C ATOM 773 CZ TYR A 54 -4.286 -9.451 -9.611 1.00 3.28 C ATOM 774 OH TYR A 54 -4.526 -10.775 -9.321 1.00 4.18 O ATOM 0 H TYR A 54 -2.789 -3.133 -12.009 1.00 0.93 H new ATOM 0 HA TYR A 54 -1.489 -5.659 -11.150 1.00 1.04 H new ATOM 0 HB2 TYR A 54 -3.300 -4.791 -9.626 1.00 1.11 H new ATOM 0 HB3 TYR A 54 -4.420 -4.887 -10.970 1.00 1.11 H new ATOM 0 HD1 TYR A 54 -2.318 -6.892 -8.672 1.00 1.53 H new ATOM 0 HD2 TYR A 54 -5.321 -7.016 -11.691 1.00 2.57 H new ATOM 0 HE1 TYR A 54 -2.749 -9.251 -8.142 1.00 2.31 H new ATOM 0 HE2 TYR A 54 -5.755 -9.376 -11.164 1.00 3.42 H new ATOM 0 HH TYR A 54 -5.241 -11.112 -9.900 1.00 4.18 H new ATOM 784 N GLY A 55 -2.580 -6.979 -13.078 1.00 1.09 N ATOM 785 CA GLY A 55 -2.899 -7.594 -14.356 1.00 1.20 C ATOM 786 C GLY A 55 -4.387 -7.575 -14.673 1.00 1.22 C ATOM 787 O GLY A 55 -4.862 -8.381 -15.474 1.00 2.00 O ATOM 0 H GLY A 55 -2.250 -7.625 -12.361 1.00 1.09 H new ATOM 0 HA2 GLY A 55 -2.358 -7.075 -15.147 1.00 1.20 H new ATOM 0 HA3 GLY A 55 -2.547 -8.626 -14.354 1.00 1.20 H new ATOM 791 N SER A 56 -5.125 -6.656 -14.050 1.00 0.89 N ATOM 792 CA SER A 56 -6.561 -6.548 -14.283 1.00 1.23 C ATOM 793 C SER A 56 -7.082 -5.155 -13.934 1.00 1.14 C ATOM 794 O SER A 56 -7.849 -4.565 -14.696 1.00 1.30 O ATOM 795 CB SER A 56 -7.312 -7.600 -13.464 1.00 1.66 C ATOM 796 OG SER A 56 -8.710 -7.506 -13.674 1.00 2.20 O ATOM 0 H SER A 56 -4.752 -5.980 -13.384 1.00 0.89 H new ATOM 0 HA SER A 56 -6.736 -6.721 -15.345 1.00 1.23 H new ATOM 0 HB2 SER A 56 -6.966 -8.596 -13.740 1.00 1.66 H new ATOM 0 HB3 SER A 56 -7.090 -7.468 -12.405 1.00 1.66 H new ATOM 0 HG SER A 56 -9.168 -8.189 -13.141 1.00 2.20 H new ATOM 802 N LYS A 57 -6.663 -4.628 -12.783 1.00 0.92 N ATOM 803 CA LYS A 57 -7.117 -3.309 -12.344 1.00 0.86 C ATOM 804 C LYS A 57 -5.956 -2.407 -11.930 1.00 0.77 C ATOM 805 O LYS A 57 -5.067 -2.816 -11.186 1.00 0.77 O ATOM 806 CB LYS A 57 -8.092 -3.451 -11.173 1.00 0.89 C ATOM 807 CG LYS A 57 -8.586 -2.120 -10.625 1.00 0.91 C ATOM 808 CD LYS A 57 -9.425 -2.313 -9.372 1.00 1.02 C ATOM 809 CE LYS A 57 -10.070 -1.009 -8.928 1.00 1.79 C ATOM 810 NZ LYS A 57 -9.054 0.036 -8.621 1.00 2.51 N ATOM 0 H LYS A 57 -6.016 -5.089 -12.143 1.00 0.92 H new ATOM 0 HA LYS A 57 -7.617 -2.843 -13.193 1.00 0.86 H new ATOM 0 HB2 LYS A 57 -8.949 -4.042 -11.495 1.00 0.89 H new ATOM 0 HB3 LYS A 57 -7.605 -4.006 -10.371 1.00 0.89 H new ATOM 0 HG2 LYS A 57 -7.734 -1.479 -10.399 1.00 0.91 H new ATOM 0 HG3 LYS A 57 -9.177 -1.609 -11.385 1.00 0.91 H new ATOM 0 HD2 LYS A 57 -10.199 -3.057 -9.562 1.00 1.02 H new ATOM 0 HD3 LYS A 57 -8.798 -2.702 -8.569 1.00 1.02 H new ATOM 0 HE2 LYS A 57 -10.737 -0.648 -9.711 1.00 1.79 H new ATOM 0 HE3 LYS A 57 -10.684 -1.189 -8.045 1.00 1.79 H new ATOM 0 HZ1 LYS A 57 -9.336 0.935 -9.062 1.00 2.51 H new ATOM 0 HZ2 LYS A 57 -8.986 0.162 -7.591 1.00 2.51 H new ATOM 0 HZ3 LYS A 57 -8.129 -0.258 -8.995 1.00 2.51 H new ATOM 824 N VAL A 58 -5.983 -1.170 -12.419 1.00 0.75 N ATOM 825 CA VAL A 58 -4.964 -0.185 -12.091 1.00 0.70 C ATOM 826 C VAL A 58 -5.474 0.770 -11.011 1.00 0.63 C ATOM 827 O VAL A 58 -6.634 1.181 -11.034 1.00 0.66 O ATOM 828 CB VAL A 58 -4.551 0.621 -13.339 1.00 0.76 C ATOM 829 CG1 VAL A 58 -5.701 1.487 -13.833 1.00 1.38 C ATOM 830 CG2 VAL A 58 -3.320 1.465 -13.050 1.00 1.31 C ATOM 0 H VAL A 58 -6.708 -0.827 -13.049 1.00 0.75 H new ATOM 0 HA VAL A 58 -4.091 -0.720 -11.717 1.00 0.70 H new ATOM 0 HB VAL A 58 -4.300 -0.085 -14.131 1.00 0.76 H new ATOM 0 HG11 VAL A 58 -5.384 2.045 -14.714 1.00 1.38 H new ATOM 0 HG12 VAL A 58 -6.549 0.853 -14.091 1.00 1.38 H new ATOM 0 HG13 VAL A 58 -5.995 2.184 -13.048 1.00 1.38 H new ATOM 0 HG21 VAL A 58 -3.045 2.026 -13.943 1.00 1.31 H new ATOM 0 HG22 VAL A 58 -3.537 2.159 -12.238 1.00 1.31 H new ATOM 0 HG23 VAL A 58 -2.494 0.816 -12.761 1.00 1.31 H new ATOM 834 N ILE A 59 -4.608 1.111 -10.062 1.00 0.59 N ATOM 835 CA ILE A 59 -4.989 2.007 -8.975 1.00 0.56 C ATOM 836 C ILE A 59 -4.073 3.223 -8.901 1.00 0.50 C ATOM 837 O ILE A 59 -2.855 3.092 -8.797 1.00 0.48 O ATOM 838 CB ILE A 59 -4.963 1.279 -7.615 1.00 0.62 C ATOM 839 CG1 ILE A 59 -5.810 0.006 -7.680 1.00 0.89 C ATOM 840 CG2 ILE A 59 -5.465 2.201 -6.513 1.00 0.79 C ATOM 841 CD1 ILE A 59 -5.659 -0.887 -6.466 1.00 1.60 C ATOM 0 H ILE A 59 -3.643 0.783 -10.023 1.00 0.59 H new ATOM 0 HA ILE A 59 -6.005 2.340 -9.189 1.00 0.56 H new ATOM 0 HB ILE A 59 -3.935 0.998 -7.387 1.00 0.62 H new ATOM 0 HG12 ILE A 59 -6.859 0.283 -7.789 1.00 0.89 H new ATOM 0 HG13 ILE A 59 -5.535 -0.558 -8.571 1.00 0.89 H new ATOM 0 HG21 ILE A 59 -5.441 1.674 -5.559 1.00 0.79 H new ATOM 0 HG22 ILE A 59 -4.826 3.082 -6.457 1.00 0.79 H new ATOM 0 HG23 ILE A 59 -6.488 2.508 -6.733 1.00 0.79 H new ATOM 0 HD11 ILE A 59 -6.288 -1.769 -6.583 1.00 1.60 H new ATOM 0 HD12 ILE A 59 -4.618 -1.194 -6.368 1.00 1.60 H new ATOM 0 HD13 ILE A 59 -5.962 -0.341 -5.573 1.00 1.60 H new ATOM 845 N HIS A 60 -4.673 4.406 -8.953 1.00 0.50 N ATOM 846 CA HIS A 60 -3.921 5.656 -8.881 1.00 0.48 C ATOM 847 C HIS A 60 -4.313 6.445 -7.634 1.00 0.49 C ATOM 848 O HIS A 60 -5.488 6.502 -7.272 1.00 0.57 O ATOM 849 CB HIS A 60 -4.173 6.501 -10.133 1.00 0.55 C ATOM 850 CG HIS A 60 -5.613 6.856 -10.334 1.00 1.14 C ATOM 851 ND1 HIS A 60 -6.150 8.068 -9.955 1.00 1.39 N ATOM 852 CD2 HIS A 60 -6.633 6.148 -10.877 1.00 2.15 C ATOM 853 CE1 HIS A 60 -7.437 8.092 -10.255 1.00 2.24 C ATOM 854 NE2 HIS A 60 -7.753 6.938 -10.816 1.00 2.74 N ATOM 0 H HIS A 60 -5.682 4.528 -9.045 1.00 0.50 H new ATOM 0 HA HIS A 60 -2.860 5.415 -8.824 1.00 0.48 H new ATOM 0 HB2 HIS A 60 -3.587 7.418 -10.067 1.00 0.55 H new ATOM 0 HB3 HIS A 60 -3.816 5.956 -11.007 1.00 0.55 H new ATOM 0 HD2 HIS A 60 -6.575 5.149 -11.282 1.00 2.15 H new ATOM 0 HE1 HIS A 60 -8.114 8.914 -10.073 1.00 2.24 H new ATOM 0 HE2 HIS A 60 -8.681 6.677 -11.150 1.00 2.74 H new ATOM 863 N ASN A 61 -3.326 7.054 -6.975 1.00 0.45 N ATOM 864 CA ASN A 61 -3.585 7.827 -5.763 1.00 0.50 C ATOM 865 C ASN A 61 -2.776 9.120 -5.739 1.00 0.47 C ATOM 866 O ASN A 61 -1.796 9.270 -6.468 1.00 0.69 O ATOM 867 CB ASN A 61 -3.259 6.990 -4.525 1.00 0.58 C ATOM 868 CG ASN A 61 -4.217 5.829 -4.337 1.00 0.86 C ATOM 869 OD1 ASN A 61 -5.480 6.040 -4.692 1.00 1.79 O flip ATOM 870 ND2 ASN A 61 -3.830 4.758 -3.872 1.00 1.01 N flip ATOM 0 H ASN A 61 -2.347 7.027 -7.259 1.00 0.45 H new ATOM 0 HA ASN A 61 -4.643 8.090 -5.758 1.00 0.50 H new ATOM 0 HB2 ASN A 61 -2.242 6.607 -4.607 1.00 0.58 H new ATOM 0 HB3 ASN A 61 -3.289 7.628 -3.642 1.00 0.58 H new ATOM 0 HD21 ASN A 61 -2.851 4.639 -3.612 1.00 1.01 H new ATOM 0 HD22 ASN A 61 -4.488 3.989 -3.746 1.00 1.01 H new ATOM 875 N GLU A 62 -3.201 10.053 -4.890 1.00 0.49 N ATOM 876 CA GLU A 62 -2.524 11.338 -4.748 1.00 0.50 C ATOM 877 C GLU A 62 -2.557 11.800 -3.294 1.00 0.49 C ATOM 878 O GLU A 62 -3.621 11.868 -2.679 1.00 0.57 O ATOM 879 CB GLU A 62 -3.191 12.386 -5.643 1.00 0.69 C ATOM 880 CG GLU A 62 -2.656 13.797 -5.438 1.00 1.45 C ATOM 881 CD GLU A 62 -3.445 14.836 -6.210 1.00 1.63 C ATOM 882 OE1 GLU A 62 -4.481 15.302 -5.690 1.00 1.80 O ATOM 883 OE2 GLU A 62 -3.026 15.186 -7.332 1.00 2.01 O ATOM 0 H GLU A 62 -4.016 9.941 -4.287 1.00 0.49 H new ATOM 0 HA GLU A 62 -1.485 11.218 -5.054 1.00 0.50 H new ATOM 0 HB2 GLU A 62 -3.051 12.102 -6.686 1.00 0.69 H new ATOM 0 HB3 GLU A 62 -4.264 12.383 -5.453 1.00 0.69 H new ATOM 0 HG2 GLU A 62 -2.682 14.041 -4.376 1.00 1.45 H new ATOM 0 HG3 GLU A 62 -1.612 13.835 -5.748 1.00 1.45 H new ATOM 890 N PHE A 63 -1.386 12.117 -2.748 1.00 0.44 N ATOM 891 CA PHE A 63 -1.289 12.574 -1.366 1.00 0.45 C ATOM 892 C PHE A 63 -0.124 13.538 -1.178 1.00 0.44 C ATOM 893 O PHE A 63 0.876 13.469 -1.893 1.00 0.45 O ATOM 894 CB PHE A 63 -1.145 11.382 -0.417 1.00 0.49 C ATOM 895 CG PHE A 63 -0.075 10.407 -0.821 1.00 0.70 C ATOM 896 CD1 PHE A 63 1.233 10.585 -0.402 1.00 0.98 C ATOM 897 CD2 PHE A 63 -0.375 9.317 -1.622 1.00 1.10 C ATOM 898 CE1 PHE A 63 2.222 9.696 -0.775 1.00 1.45 C ATOM 899 CE2 PHE A 63 0.611 8.424 -1.999 1.00 1.54 C ATOM 900 CZ PHE A 63 1.897 8.592 -1.559 1.00 1.66 C ATOM 0 H PHE A 63 -0.494 12.066 -3.240 1.00 0.44 H new ATOM 0 HA PHE A 63 -2.209 13.108 -1.129 1.00 0.45 H new ATOM 0 HB2 PHE A 63 -0.926 11.752 0.585 1.00 0.49 H new ATOM 0 HB3 PHE A 63 -2.099 10.857 -0.361 1.00 0.49 H new ATOM 0 HD1 PHE A 63 1.483 11.429 0.224 1.00 0.98 H new ATOM 0 HD2 PHE A 63 -1.391 9.163 -1.956 1.00 1.10 H new ATOM 0 HE1 PHE A 63 3.243 9.856 -0.460 1.00 1.45 H new ATOM 0 HE2 PHE A 63 0.366 7.592 -2.642 1.00 1.54 H new ATOM 0 HZ PHE A 63 2.657 7.870 -1.819 1.00 1.66 H new ATOM 910 N THR A 64 -0.269 14.437 -0.210 1.00 0.47 N ATOM 911 CA THR A 64 0.766 15.416 0.088 1.00 0.49 C ATOM 912 C THR A 64 1.368 15.158 1.466 1.00 0.49 C ATOM 913 O THR A 64 0.645 15.018 2.451 1.00 0.55 O ATOM 914 CB THR A 64 0.209 16.853 0.038 1.00 0.57 C ATOM 915 OG1 THR A 64 -0.368 17.110 -1.248 1.00 0.62 O ATOM 916 CG2 THR A 64 1.303 17.872 0.320 1.00 0.62 C ATOM 0 H THR A 64 -1.097 14.506 0.382 1.00 0.47 H new ATOM 0 HA THR A 64 1.540 15.313 -0.673 1.00 0.49 H new ATOM 0 HB THR A 64 -0.558 16.947 0.807 1.00 0.57 H new ATOM 0 HG1 THR A 64 -0.721 18.024 -1.271 1.00 0.62 H new ATOM 0 HG21 THR A 64 0.883 18.877 0.279 1.00 0.62 H new ATOM 0 HG22 THR A 64 1.720 17.693 1.311 1.00 0.62 H new ATOM 0 HG23 THR A 64 2.091 17.777 -0.427 1.00 0.62 H new ATOM 921 N LEU A 65 2.695 15.093 1.522 1.00 0.47 N ATOM 922 CA LEU A 65 3.400 14.847 2.775 1.00 0.50 C ATOM 923 C LEU A 65 2.930 15.804 3.866 1.00 0.53 C ATOM 924 O LEU A 65 2.774 17.002 3.629 1.00 0.99 O ATOM 925 CB LEU A 65 4.910 14.989 2.569 1.00 0.72 C ATOM 926 CG LEU A 65 5.525 14.003 1.571 1.00 1.05 C ATOM 927 CD1 LEU A 65 6.985 14.344 1.315 1.00 1.57 C ATOM 928 CD2 LEU A 65 5.390 12.575 2.078 1.00 1.42 C ATOM 0 H LEU A 65 3.304 15.208 0.712 1.00 0.47 H new ATOM 0 HA LEU A 65 3.177 13.829 3.094 1.00 0.50 H new ATOM 0 HB2 LEU A 65 5.121 16.003 2.231 1.00 0.72 H new ATOM 0 HB3 LEU A 65 5.406 14.864 3.532 1.00 0.72 H new ATOM 0 HG LEU A 65 4.983 14.085 0.629 1.00 1.05 H new ATOM 0 HD11 LEU A 65 7.405 13.633 0.604 1.00 1.57 H new ATOM 0 HD12 LEU A 65 7.057 15.352 0.906 1.00 1.57 H new ATOM 0 HD13 LEU A 65 7.540 14.292 2.251 1.00 1.57 H new ATOM 0 HD21 LEU A 65 5.833 11.889 1.356 1.00 1.42 H new ATOM 0 HD22 LEU A 65 5.905 12.478 3.034 1.00 1.42 H new ATOM 0 HD23 LEU A 65 4.335 12.333 2.209 1.00 1.42 H new ATOM 934 N GLY A 66 2.705 15.263 5.061 1.00 0.46 N ATOM 935 CA GLY A 66 2.248 16.078 6.171 1.00 0.60 C ATOM 936 C GLY A 66 0.907 16.725 5.898 1.00 0.61 C ATOM 937 O GLY A 66 0.760 17.941 6.020 1.00 0.80 O ATOM 0 H GLY A 66 2.831 14.275 5.279 1.00 0.46 H new ATOM 0 HA2 GLY A 66 2.175 15.460 7.066 1.00 0.60 H new ATOM 0 HA3 GLY A 66 2.987 16.852 6.378 1.00 0.60 H new ATOM 941 N GLU A 67 -0.076 15.909 5.525 1.00 0.54 N ATOM 942 CA GLU A 67 -1.412 16.410 5.229 1.00 0.57 C ATOM 943 C GLU A 67 -2.437 15.278 5.220 1.00 0.55 C ATOM 944 O GLU A 67 -2.140 14.160 4.800 1.00 0.55 O ATOM 945 CB GLU A 67 -1.419 17.124 3.875 1.00 0.60 C ATOM 946 CG GLU A 67 -2.748 17.773 3.534 1.00 1.30 C ATOM 947 CD GLU A 67 -3.128 18.873 4.505 1.00 1.85 C ATOM 948 OE1 GLU A 67 -3.718 18.554 5.561 1.00 2.66 O ATOM 949 OE2 GLU A 67 -2.838 20.051 4.211 1.00 2.14 O ATOM 0 H GLU A 67 0.029 14.900 5.421 1.00 0.54 H new ATOM 0 HA GLU A 67 -1.687 17.116 6.013 1.00 0.57 H new ATOM 0 HB2 GLU A 67 -0.641 17.887 3.873 1.00 0.60 H new ATOM 0 HB3 GLU A 67 -1.164 16.407 3.095 1.00 0.60 H new ATOM 0 HG2 GLU A 67 -2.698 18.185 2.526 1.00 1.30 H new ATOM 0 HG3 GLU A 67 -3.529 17.012 3.530 1.00 1.30 H new ATOM 956 N GLU A 68 -3.644 15.581 5.689 1.00 0.60 N ATOM 957 CA GLU A 68 -4.724 14.601 5.730 1.00 0.61 C ATOM 958 C GLU A 68 -5.413 14.513 4.371 1.00 0.63 C ATOM 959 O GLU A 68 -5.908 15.515 3.855 1.00 0.71 O ATOM 960 CB GLU A 68 -5.740 14.988 6.809 1.00 0.71 C ATOM 961 CG GLU A 68 -6.934 14.054 6.891 1.00 0.74 C ATOM 962 CD GLU A 68 -7.969 14.518 7.897 1.00 1.01 C ATOM 963 OE1 GLU A 68 -8.851 15.317 7.517 1.00 1.05 O ATOM 964 OE2 GLU A 68 -7.896 14.084 9.065 1.00 1.32 O ATOM 0 H GLU A 68 -3.899 16.501 6.047 1.00 0.60 H new ATOM 0 HA GLU A 68 -4.302 13.625 5.971 1.00 0.61 H new ATOM 0 HB2 GLU A 68 -5.239 15.007 7.777 1.00 0.71 H new ATOM 0 HB3 GLU A 68 -6.095 16.000 6.614 1.00 0.71 H new ATOM 0 HG2 GLU A 68 -7.398 13.976 5.908 1.00 0.74 H new ATOM 0 HG3 GLU A 68 -6.591 13.055 7.162 1.00 0.74 H new ATOM 971 N CYS A 69 -5.438 13.316 3.793 1.00 0.61 N ATOM 972 CA CYS A 69 -6.070 13.111 2.491 1.00 0.67 C ATOM 973 C CYS A 69 -7.148 12.035 2.567 1.00 0.67 C ATOM 974 O CYS A 69 -7.083 11.135 3.402 1.00 0.64 O ATOM 975 CB CYS A 69 -5.019 12.725 1.447 1.00 0.73 C ATOM 976 SG CYS A 69 -3.733 13.971 1.196 1.00 1.86 S ATOM 0 H CYS A 69 -5.030 12.475 4.202 1.00 0.61 H new ATOM 0 HA CYS A 69 -6.542 14.048 2.195 1.00 0.67 H new ATOM 0 HB2 CYS A 69 -4.549 11.789 1.750 1.00 0.73 H new ATOM 0 HB3 CYS A 69 -5.519 12.538 0.497 1.00 0.73 H new ATOM 0 HG CYS A 69 -2.581 13.384 1.058 1.00 1.86 H new ATOM 982 N GLU A 70 -8.143 12.140 1.688 1.00 0.75 N ATOM 983 CA GLU A 70 -9.238 11.177 1.653 1.00 0.77 C ATOM 984 C GLU A 70 -9.008 10.133 0.564 1.00 0.81 C ATOM 985 O GLU A 70 -8.900 10.467 -0.615 1.00 0.87 O ATOM 986 CB GLU A 70 -10.567 11.893 1.410 1.00 0.84 C ATOM 987 CG GLU A 70 -11.780 10.981 1.504 1.00 0.91 C ATOM 988 CD GLU A 70 -13.065 11.677 1.102 1.00 1.22 C ATOM 989 OE1 GLU A 70 -13.666 12.357 1.959 1.00 1.25 O ATOM 990 OE2 GLU A 70 -13.472 11.544 -0.073 1.00 1.71 O ATOM 0 H GLU A 70 -8.212 12.882 0.992 1.00 0.75 H new ATOM 0 HA GLU A 70 -9.275 10.672 2.618 1.00 0.77 H new ATOM 0 HB2 GLU A 70 -10.673 12.699 2.136 1.00 0.84 H new ATOM 0 HB3 GLU A 70 -10.546 12.354 0.422 1.00 0.84 H new ATOM 0 HG2 GLU A 70 -11.627 10.112 0.865 1.00 0.91 H new ATOM 0 HG3 GLU A 70 -11.875 10.613 2.526 1.00 0.91 H new ATOM 997 N LEU A 71 -8.938 8.868 0.968 1.00 0.83 N ATOM 998 CA LEU A 71 -8.723 7.776 0.026 1.00 0.91 C ATOM 999 C LEU A 71 -9.880 6.784 0.070 1.00 0.94 C ATOM 1000 O LEU A 71 -10.475 6.553 1.122 1.00 0.96 O ATOM 1001 CB LEU A 71 -7.404 7.061 0.327 1.00 0.99 C ATOM 1002 CG LEU A 71 -7.075 5.886 -0.598 1.00 1.28 C ATOM 1003 CD1 LEU A 71 -7.003 6.348 -2.046 1.00 1.90 C ATOM 1004 CD2 LEU A 71 -5.766 5.230 -0.184 1.00 1.91 C ATOM 0 H LEU A 71 -9.027 8.575 1.941 1.00 0.83 H new ATOM 0 HA LEU A 71 -8.672 8.200 -0.977 1.00 0.91 H new ATOM 0 HB2 LEU A 71 -6.593 7.787 0.268 1.00 0.99 H new ATOM 0 HB3 LEU A 71 -7.432 6.698 1.354 1.00 0.99 H new ATOM 0 HG LEU A 71 -7.873 5.149 -0.511 1.00 1.28 H new ATOM 0 HD11 LEU A 71 -6.768 5.499 -2.688 1.00 1.90 H new ATOM 0 HD12 LEU A 71 -7.963 6.771 -2.341 1.00 1.90 H new ATOM 0 HD13 LEU A 71 -6.226 7.106 -2.148 1.00 1.90 H new ATOM 0 HD21 LEU A 71 -5.549 4.397 -0.853 1.00 1.91 H new ATOM 0 HD22 LEU A 71 -4.959 5.961 -0.240 1.00 1.91 H new ATOM 0 HD23 LEU A 71 -5.851 4.862 0.838 1.00 1.91 H new ATOM 1010 N GLU A 72 -10.196 6.206 -1.084 1.00 0.99 N ATOM 1011 CA GLU A 72 -11.285 5.245 -1.183 1.00 1.05 C ATOM 1012 C GLU A 72 -10.808 3.840 -0.829 1.00 1.11 C ATOM 1013 O GLU A 72 -9.867 3.324 -1.430 1.00 1.19 O ATOM 1014 CB GLU A 72 -11.869 5.251 -2.596 1.00 1.13 C ATOM 1015 CG GLU A 72 -13.305 4.763 -2.658 1.00 1.52 C ATOM 1016 CD GLU A 72 -13.824 4.653 -4.077 1.00 1.73 C ATOM 1017 OE1 GLU A 72 -14.110 5.706 -4.687 1.00 2.11 O ATOM 1018 OE2 GLU A 72 -13.945 3.516 -4.578 1.00 1.82 O ATOM 0 H GLU A 72 -9.712 6.387 -1.963 1.00 0.99 H new ATOM 0 HA GLU A 72 -12.058 5.538 -0.472 1.00 1.05 H new ATOM 0 HB2 GLU A 72 -11.820 6.263 -2.997 1.00 1.13 H new ATOM 0 HB3 GLU A 72 -11.252 4.623 -3.239 1.00 1.13 H new ATOM 0 HG2 GLU A 72 -13.375 3.789 -2.173 1.00 1.52 H new ATOM 0 HG3 GLU A 72 -13.941 5.446 -2.095 1.00 1.52 H new ATOM 1025 N THR A 73 -11.466 3.228 0.151 1.00 1.12 N ATOM 1026 CA THR A 73 -11.110 1.882 0.584 1.00 1.22 C ATOM 1027 C THR A 73 -11.762 0.831 -0.306 1.00 1.35 C ATOM 1028 O THR A 73 -12.671 1.134 -1.079 1.00 1.38 O ATOM 1029 CB THR A 73 -11.523 1.627 2.045 1.00 1.24 C ATOM 1030 OG1 THR A 73 -12.923 1.886 2.210 1.00 1.76 O ATOM 1031 CG2 THR A 73 -10.721 2.505 2.994 1.00 1.63 C ATOM 0 H THR A 73 -12.247 3.642 0.659 1.00 1.12 H new ATOM 0 HA THR A 73 -10.026 1.804 0.506 1.00 1.22 H new ATOM 0 HB THR A 73 -11.318 0.583 2.283 1.00 1.24 H new ATOM 0 HG1 THR A 73 -13.086 2.851 2.155 1.00 1.76 H new ATOM 0 HG21 THR A 73 -11.030 2.308 4.021 1.00 1.63 H new ATOM 0 HG22 THR A 73 -9.659 2.283 2.885 1.00 1.63 H new ATOM 0 HG23 THR A 73 -10.899 3.554 2.757 1.00 1.63 H new ATOM 1036 N MET A 74 -11.292 -0.409 -0.195 1.00 1.45 N ATOM 1037 CA MET A 74 -11.833 -1.506 -0.990 1.00 1.60 C ATOM 1038 C MET A 74 -13.252 -1.850 -0.545 1.00 1.65 C ATOM 1039 O MET A 74 -13.968 -2.580 -1.231 1.00 1.81 O ATOM 1040 CB MET A 74 -10.930 -2.740 -0.884 1.00 1.70 C ATOM 1041 CG MET A 74 -10.650 -3.178 0.547 1.00 2.32 C ATOM 1042 SD MET A 74 -11.996 -4.142 1.263 1.00 3.10 S ATOM 1043 CE MET A 74 -11.966 -5.599 0.222 1.00 3.79 C ATOM 0 H MET A 74 -10.538 -0.678 0.437 1.00 1.45 H new ATOM 0 HA MET A 74 -11.868 -1.186 -2.031 1.00 1.60 H new ATOM 0 HB2 MET A 74 -11.395 -3.566 -1.422 1.00 1.70 H new ATOM 0 HB3 MET A 74 -9.983 -2.529 -1.381 1.00 1.70 H new ATOM 0 HG2 MET A 74 -9.735 -3.770 0.568 1.00 2.32 H new ATOM 0 HG3 MET A 74 -10.473 -2.296 1.163 1.00 2.32 H new ATOM 0 HE1 MET A 74 -11.992 -6.492 0.846 1.00 3.79 H new ATOM 0 HE2 MET A 74 -12.833 -5.592 -0.438 1.00 3.79 H new ATOM 0 HE3 MET A 74 -11.055 -5.600 -0.376 1.00 3.79 H new ATOM 1053 N THR A 75 -13.652 -1.319 0.607 1.00 1.57 N ATOM 1054 CA THR A 75 -14.988 -1.567 1.140 1.00 1.67 C ATOM 1055 C THR A 75 -16.013 -0.651 0.482 1.00 1.56 C ATOM 1056 O THR A 75 -17.179 -1.015 0.331 1.00 1.74 O ATOM 1057 CB THR A 75 -15.035 -1.354 2.664 1.00 1.89 C ATOM 1058 OG1 THR A 75 -14.740 0.011 2.979 1.00 2.23 O ATOM 1059 CG2 THR A 75 -14.045 -2.267 3.373 1.00 2.00 C ATOM 0 H THR A 75 -13.071 -0.715 1.189 1.00 1.57 H new ATOM 0 HA THR A 75 -15.231 -2.607 0.919 1.00 1.67 H new ATOM 0 HB THR A 75 -16.040 -1.598 3.008 1.00 1.89 H new ATOM 0 HG1 THR A 75 -14.002 0.324 2.416 1.00 2.23 H new ATOM 0 HG21 THR A 75 -14.098 -2.096 4.448 1.00 2.00 H new ATOM 0 HG22 THR A 75 -14.291 -3.307 3.158 1.00 2.00 H new ATOM 0 HG23 THR A 75 -13.036 -2.052 3.021 1.00 2.00 H new ATOM 1064 N GLY A 76 -15.567 0.540 0.092 1.00 1.40 N ATOM 1065 CA GLY A 76 -16.453 1.497 -0.544 1.00 1.47 C ATOM 1066 C GLY A 76 -16.721 2.703 0.331 1.00 1.35 C ATOM 1067 O GLY A 76 -17.572 3.535 0.009 1.00 1.39 O ATOM 0 H GLY A 76 -14.605 0.859 0.206 1.00 1.40 H new ATOM 0 HA2 GLY A 76 -16.014 1.825 -1.486 1.00 1.47 H new ATOM 0 HA3 GLY A 76 -17.397 1.009 -0.786 1.00 1.47 H new ATOM 1071 N GLU A 77 -15.993 2.801 1.440 1.00 1.28 N ATOM 1072 CA GLU A 77 -16.155 3.914 2.366 1.00 1.22 C ATOM 1073 C GLU A 77 -14.964 4.865 2.292 1.00 1.12 C ATOM 1074 O GLU A 77 -13.823 4.436 2.122 1.00 1.11 O ATOM 1075 CB GLU A 77 -16.324 3.398 3.790 1.00 1.28 C ATOM 1076 CG GLU A 77 -16.564 4.494 4.814 1.00 1.30 C ATOM 1077 CD GLU A 77 -16.904 3.948 6.186 1.00 1.60 C ATOM 1078 OE1 GLU A 77 -15.967 3.689 6.971 1.00 1.94 O ATOM 1079 OE2 GLU A 77 -18.107 3.781 6.478 1.00 1.66 O ATOM 0 H GLU A 77 -15.285 2.122 1.718 1.00 1.28 H new ATOM 0 HA GLU A 77 -17.051 4.464 2.079 1.00 1.22 H new ATOM 0 HB2 GLU A 77 -17.160 2.699 3.817 1.00 1.28 H new ATOM 0 HB3 GLU A 77 -15.432 2.839 4.072 1.00 1.28 H new ATOM 0 HG2 GLU A 77 -15.674 5.119 4.887 1.00 1.30 H new ATOM 0 HG3 GLU A 77 -17.376 5.135 4.471 1.00 1.30 H new ATOM 1086 N LYS A 78 -15.239 6.160 2.420 1.00 1.12 N ATOM 1087 CA LYS A 78 -14.194 7.175 2.365 1.00 1.06 C ATOM 1088 C LYS A 78 -13.547 7.370 3.733 1.00 0.97 C ATOM 1089 O LYS A 78 -14.231 7.639 4.720 1.00 1.03 O ATOM 1090 CB LYS A 78 -14.768 8.503 1.866 1.00 1.19 C ATOM 1091 CG LYS A 78 -15.506 8.392 0.541 1.00 1.29 C ATOM 1092 CD LYS A 78 -14.592 7.906 -0.571 1.00 1.78 C ATOM 1093 CE LYS A 78 -15.328 7.807 -1.897 1.00 2.39 C ATOM 1094 NZ LYS A 78 -15.851 9.128 -2.345 1.00 2.94 N ATOM 0 H LYS A 78 -16.178 6.531 2.563 1.00 1.12 H new ATOM 0 HA LYS A 78 -13.429 6.832 1.668 1.00 1.06 H new ATOM 0 HB2 LYS A 78 -15.449 8.900 2.619 1.00 1.19 H new ATOM 0 HB3 LYS A 78 -13.956 9.222 1.760 1.00 1.19 H new ATOM 0 HG2 LYS A 78 -16.346 7.705 0.648 1.00 1.29 H new ATOM 0 HG3 LYS A 78 -15.921 9.364 0.273 1.00 1.29 H new ATOM 0 HD2 LYS A 78 -13.748 8.588 -0.673 1.00 1.78 H new ATOM 0 HD3 LYS A 78 -14.184 6.930 -0.307 1.00 1.78 H new ATOM 0 HE2 LYS A 78 -14.656 7.407 -2.656 1.00 2.39 H new ATOM 0 HE3 LYS A 78 -16.155 7.103 -1.801 1.00 2.39 H new ATOM 0 HZ1 LYS A 78 -16.148 9.065 -3.340 1.00 2.94 H new ATOM 0 HZ2 LYS A 78 -16.666 9.396 -1.757 1.00 2.94 H new ATOM 0 HZ3 LYS A 78 -15.105 9.847 -2.251 1.00 2.94 H new ATOM 1108 N VAL A 79 -12.224 7.235 3.783 1.00 0.89 N ATOM 1109 CA VAL A 79 -11.488 7.400 5.031 1.00 0.86 C ATOM 1110 C VAL A 79 -10.370 8.426 4.876 1.00 0.81 C ATOM 1111 O VAL A 79 -9.763 8.541 3.811 1.00 0.84 O ATOM 1112 CB VAL A 79 -10.884 6.067 5.513 1.00 0.90 C ATOM 1113 CG1 VAL A 79 -11.983 5.060 5.813 1.00 1.06 C ATOM 1114 CG2 VAL A 79 -9.912 5.514 4.481 1.00 1.05 C ATOM 0 H VAL A 79 -11.642 7.012 2.975 1.00 0.89 H new ATOM 0 HA VAL A 79 -12.203 7.752 5.774 1.00 0.86 H new ATOM 0 HB VAL A 79 -10.332 6.253 6.434 1.00 0.90 H new ATOM 0 HG11 VAL A 79 -11.537 4.125 6.152 1.00 1.06 H new ATOM 0 HG12 VAL A 79 -12.635 5.454 6.592 1.00 1.06 H new ATOM 0 HG13 VAL A 79 -12.566 4.878 4.910 1.00 1.06 H new ATOM 0 HG21 VAL A 79 -9.496 4.573 4.840 1.00 1.05 H new ATOM 0 HG22 VAL A 79 -10.437 5.344 3.541 1.00 1.05 H new ATOM 0 HG23 VAL A 79 -9.105 6.229 4.321 1.00 1.05 H new ATOM 1118 N LYS A 80 -10.103 9.170 5.946 1.00 0.79 N ATOM 1119 CA LYS A 80 -9.058 10.187 5.931 1.00 0.76 C ATOM 1120 C LYS A 80 -7.829 9.712 6.699 1.00 0.68 C ATOM 1121 O LYS A 80 -7.945 9.154 7.790 1.00 0.72 O ATOM 1122 CB LYS A 80 -9.581 11.491 6.534 1.00 0.84 C ATOM 1123 CG LYS A 80 -10.778 12.064 5.795 1.00 1.48 C ATOM 1124 CD LYS A 80 -11.323 13.299 6.494 1.00 1.82 C ATOM 1125 CE LYS A 80 -12.511 13.883 5.748 1.00 2.54 C ATOM 1126 NZ LYS A 80 -13.611 12.893 5.593 1.00 3.13 N ATOM 0 H LYS A 80 -10.597 9.087 6.835 1.00 0.79 H new ATOM 0 HA LYS A 80 -8.770 10.365 4.895 1.00 0.76 H new ATOM 0 HB2 LYS A 80 -9.856 11.316 7.574 1.00 0.84 H new ATOM 0 HB3 LYS A 80 -8.778 12.229 6.536 1.00 0.84 H new ATOM 0 HG2 LYS A 80 -10.490 12.319 4.775 1.00 1.48 H new ATOM 0 HG3 LYS A 80 -11.560 11.308 5.726 1.00 1.48 H new ATOM 0 HD2 LYS A 80 -11.621 13.041 7.510 1.00 1.82 H new ATOM 0 HD3 LYS A 80 -10.537 14.050 6.573 1.00 1.82 H new ATOM 0 HE2 LYS A 80 -12.882 14.757 6.284 1.00 2.54 H new ATOM 0 HE3 LYS A 80 -12.189 14.225 4.764 1.00 2.54 H new ATOM 0 HZ1 LYS A 80 -14.476 13.381 5.283 1.00 3.13 H new ATOM 0 HZ2 LYS A 80 -13.341 12.182 4.884 1.00 3.13 H new ATOM 0 HZ3 LYS A 80 -13.787 12.424 6.504 1.00 3.13 H new ATOM 1140 N ALA A 81 -6.651 9.938 6.123 1.00 0.64 N ATOM 1141 CA ALA A 81 -5.405 9.526 6.756 1.00 0.62 C ATOM 1142 C ALA A 81 -4.269 10.497 6.449 1.00 0.58 C ATOM 1143 O ALA A 81 -4.168 11.021 5.341 1.00 0.60 O ATOM 1144 CB ALA A 81 -5.029 8.127 6.304 1.00 0.69 C ATOM 0 H ALA A 81 -6.535 10.403 5.222 1.00 0.64 H new ATOM 0 HA ALA A 81 -5.564 9.529 7.834 1.00 0.62 H new ATOM 0 HB1 ALA A 81 -4.096 7.828 6.783 1.00 0.69 H new ATOM 0 HB2 ALA A 81 -5.819 7.430 6.583 1.00 0.69 H new ATOM 0 HB3 ALA A 81 -4.901 8.116 5.222 1.00 0.69 H new ATOM 1150 N VAL A 82 -3.417 10.725 7.443 1.00 0.58 N ATOM 1151 CA VAL A 82 -2.276 11.619 7.288 1.00 0.56 C ATOM 1152 C VAL A 82 -1.009 10.824 6.978 1.00 0.50 C ATOM 1153 O VAL A 82 -0.609 9.947 7.748 1.00 0.48 O ATOM 1154 CB VAL A 82 -2.045 12.465 8.555 1.00 0.59 C ATOM 1155 CG1 VAL A 82 -0.950 13.493 8.320 1.00 1.40 C ATOM 1156 CG2 VAL A 82 -3.337 13.141 8.989 1.00 1.34 C ATOM 0 H VAL A 82 -3.496 10.301 8.367 1.00 0.58 H new ATOM 0 HA VAL A 82 -2.501 12.288 6.458 1.00 0.56 H new ATOM 0 HB VAL A 82 -1.721 11.802 9.357 1.00 0.59 H new ATOM 0 HG11 VAL A 82 -0.802 14.080 9.226 1.00 1.40 H new ATOM 0 HG12 VAL A 82 -0.022 12.983 8.062 1.00 1.40 H new ATOM 0 HG13 VAL A 82 -1.240 14.153 7.503 1.00 1.40 H new ATOM 0 HG21 VAL A 82 -3.154 13.734 9.885 1.00 1.34 H new ATOM 0 HG22 VAL A 82 -3.694 13.791 8.190 1.00 1.34 H new ATOM 0 HG23 VAL A 82 -4.090 12.383 9.203 1.00 1.34 H new ATOM 1160 N VAL A 83 -0.388 11.130 5.843 1.00 0.50 N ATOM 1161 CA VAL A 83 0.831 10.445 5.426 1.00 0.47 C ATOM 1162 C VAL A 83 2.056 11.340 5.600 1.00 0.45 C ATOM 1163 O VAL A 83 2.138 12.423 5.020 1.00 0.53 O ATOM 1164 CB VAL A 83 0.738 9.981 3.957 1.00 0.55 C ATOM 1165 CG1 VAL A 83 0.327 11.135 3.054 1.00 1.26 C ATOM 1166 CG2 VAL A 83 2.057 9.378 3.498 1.00 1.11 C ATOM 0 H VAL A 83 -0.709 11.849 5.195 1.00 0.50 H new ATOM 0 HA VAL A 83 0.939 9.570 6.066 1.00 0.47 H new ATOM 0 HB VAL A 83 -0.028 9.209 3.891 1.00 0.55 H new ATOM 0 HG11 VAL A 83 0.267 10.787 2.023 1.00 1.26 H new ATOM 0 HG12 VAL A 83 -0.647 11.513 3.366 1.00 1.26 H new ATOM 0 HG13 VAL A 83 1.066 11.933 3.125 1.00 1.26 H new ATOM 0 HG21 VAL A 83 1.969 9.058 2.460 1.00 1.11 H new ATOM 0 HG22 VAL A 83 2.847 10.124 3.582 1.00 1.11 H new ATOM 0 HG23 VAL A 83 2.302 8.519 4.123 1.00 1.11 H new ATOM 1170 N LYS A 84 3.006 10.880 6.411 1.00 0.41 N ATOM 1171 CA LYS A 84 4.230 11.633 6.667 1.00 0.43 C ATOM 1172 C LYS A 84 5.454 10.728 6.591 1.00 0.42 C ATOM 1173 O LYS A 84 5.367 9.527 6.848 1.00 0.44 O ATOM 1174 CB LYS A 84 4.171 12.294 8.043 1.00 0.48 C ATOM 1175 CG LYS A 84 2.897 13.086 8.290 1.00 0.78 C ATOM 1176 CD LYS A 84 2.913 13.767 9.650 1.00 0.91 C ATOM 1177 CE LYS A 84 2.856 12.757 10.785 1.00 1.51 C ATOM 1178 NZ LYS A 84 1.573 12.004 10.796 1.00 2.11 N ATOM 0 H LYS A 84 2.951 9.988 6.903 1.00 0.41 H new ATOM 0 HA LYS A 84 4.314 12.402 5.899 1.00 0.43 H new ATOM 0 HB2 LYS A 84 4.264 11.525 8.809 1.00 0.48 H new ATOM 0 HB3 LYS A 84 5.028 12.959 8.153 1.00 0.48 H new ATOM 0 HG2 LYS A 84 2.778 13.836 7.509 1.00 0.78 H new ATOM 0 HG3 LYS A 84 2.036 12.420 8.226 1.00 0.78 H new ATOM 0 HD2 LYS A 84 3.816 14.370 9.744 1.00 0.91 H new ATOM 0 HD3 LYS A 84 2.065 14.448 9.726 1.00 0.91 H new ATOM 0 HE2 LYS A 84 3.686 12.057 10.690 1.00 1.51 H new ATOM 0 HE3 LYS A 84 2.982 13.273 11.737 1.00 1.51 H new ATOM 0 HZ1 LYS A 84 1.463 11.519 11.710 1.00 2.11 H new ATOM 0 HZ2 LYS A 84 0.782 12.664 10.657 1.00 2.11 H new ATOM 0 HZ3 LYS A 84 1.576 11.301 10.030 1.00 2.11 H new ATOM 1192 N MET A 85 6.593 11.309 6.235 1.00 0.48 N ATOM 1193 CA MET A 85 7.835 10.554 6.136 1.00 0.52 C ATOM 1194 C MET A 85 8.711 10.795 7.364 1.00 0.57 C ATOM 1195 O MET A 85 8.781 11.913 7.877 1.00 0.67 O ATOM 1196 CB MET A 85 8.600 10.929 4.862 1.00 0.68 C ATOM 1197 CG MET A 85 9.180 12.337 4.878 1.00 1.26 C ATOM 1198 SD MET A 85 7.915 13.619 4.788 1.00 1.83 S ATOM 1199 CE MET A 85 8.925 15.096 4.823 1.00 2.62 C ATOM 0 H MET A 85 6.682 12.300 6.010 1.00 0.48 H new ATOM 0 HA MET A 85 7.582 9.495 6.089 1.00 0.52 H new ATOM 0 HB2 MET A 85 9.410 10.215 4.714 1.00 0.68 H new ATOM 0 HB3 MET A 85 7.931 10.833 4.007 1.00 0.68 H new ATOM 0 HG2 MET A 85 9.764 12.473 5.788 1.00 1.26 H new ATOM 0 HG3 MET A 85 9.866 12.451 4.039 1.00 1.26 H new ATOM 0 HE1 MET A 85 8.284 15.976 4.774 1.00 2.62 H new ATOM 0 HE2 MET A 85 9.504 15.119 5.746 1.00 2.62 H new ATOM 0 HE3 MET A 85 9.603 15.093 3.970 1.00 2.62 H new ATOM 1209 N GLU A 86 9.370 9.740 7.833 1.00 0.60 N ATOM 1210 CA GLU A 86 10.238 9.841 9.002 1.00 0.73 C ATOM 1211 C GLU A 86 11.659 10.201 8.592 1.00 0.84 C ATOM 1212 O GLU A 86 12.442 10.701 9.400 1.00 1.00 O ATOM 1213 CB GLU A 86 10.227 8.530 9.792 1.00 0.77 C ATOM 1214 CG GLU A 86 11.078 8.566 11.052 1.00 1.07 C ATOM 1215 CD GLU A 86 10.674 9.682 11.998 1.00 1.44 C ATOM 1216 OE1 GLU A 86 9.690 9.498 12.745 1.00 1.48 O ATOM 1217 OE2 GLU A 86 11.342 10.737 11.991 1.00 2.06 O ATOM 0 H GLU A 86 9.320 8.807 7.423 1.00 0.60 H new ATOM 0 HA GLU A 86 9.855 10.636 9.642 1.00 0.73 H new ATOM 0 HB2 GLU A 86 9.200 8.290 10.065 1.00 0.77 H new ATOM 0 HB3 GLU A 86 10.582 7.725 9.148 1.00 0.77 H new ATOM 0 HG2 GLU A 86 10.996 7.610 11.568 1.00 1.07 H new ATOM 0 HG3 GLU A 86 12.125 8.690 10.775 1.00 1.07 H new ATOM 1224 N GLY A 87 11.983 9.949 7.332 1.00 0.80 N ATOM 1225 CA GLY A 87 13.311 10.261 6.834 1.00 0.95 C ATOM 1226 C GLY A 87 13.934 9.136 6.028 1.00 0.81 C ATOM 1227 O GLY A 87 13.558 8.902 4.880 1.00 1.62 O ATOM 0 H GLY A 87 11.353 9.535 6.645 1.00 0.80 H new ATOM 0 HA2 GLY A 87 13.257 11.155 6.213 1.00 0.95 H new ATOM 0 HA3 GLY A 87 13.961 10.497 7.677 1.00 0.95 H new ATOM 1231 N ASP A 88 14.887 8.438 6.638 1.00 0.89 N ATOM 1232 CA ASP A 88 15.585 7.348 5.973 1.00 1.05 C ATOM 1233 C ASP A 88 14.977 5.996 6.323 1.00 0.98 C ATOM 1234 O ASP A 88 14.809 5.663 7.495 1.00 1.56 O ATOM 1235 CB ASP A 88 17.067 7.364 6.350 1.00 1.46 C ATOM 1236 CG ASP A 88 17.763 8.636 5.907 1.00 2.14 C ATOM 1237 OD1 ASP A 88 17.716 9.631 6.660 1.00 2.84 O ATOM 1238 OD2 ASP A 88 18.354 8.637 4.808 1.00 2.57 O ATOM 0 H ASP A 88 15.193 8.610 7.596 1.00 0.89 H new ATOM 0 HA ASP A 88 15.481 7.496 4.898 1.00 1.05 H new ATOM 0 HB2 ASP A 88 17.165 7.257 7.430 1.00 1.46 H new ATOM 0 HB3 ASP A 88 17.563 6.505 5.898 1.00 1.46 H new ATOM 1243 N ASN A 89 14.643 5.242 5.282 1.00 0.54 N ATOM 1244 CA ASN A 89 14.065 3.903 5.414 1.00 0.51 C ATOM 1245 C ASN A 89 12.887 3.863 6.381 1.00 0.46 C ATOM 1246 O ASN A 89 12.424 2.784 6.741 1.00 0.55 O ATOM 1247 CB ASN A 89 15.132 2.889 5.844 1.00 0.61 C ATOM 1248 CG ASN A 89 15.591 3.078 7.278 1.00 1.42 C ATOM 1249 OD1 ASN A 89 14.880 2.461 8.215 1.00 2.19 O flip ATOM 1250 ND2 ASN A 89 16.575 3.771 7.539 1.00 2.22 N flip ATOM 0 H ASN A 89 14.765 5.542 4.315 1.00 0.54 H new ATOM 0 HA ASN A 89 13.685 3.632 4.429 1.00 0.51 H new ATOM 0 HB2 ASN A 89 14.735 1.881 5.726 1.00 0.61 H new ATOM 0 HB3 ASN A 89 15.992 2.972 5.180 1.00 0.61 H new ATOM 0 HD21 ASN A 89 17.092 4.227 6.787 1.00 2.22 H new ATOM 0 HD22 ASN A 89 16.873 3.889 8.507 1.00 2.22 H new ATOM 1255 N LYS A 90 12.378 5.028 6.769 1.00 0.46 N ATOM 1256 CA LYS A 90 11.260 5.081 7.703 1.00 0.49 C ATOM 1257 C LYS A 90 10.222 6.125 7.300 1.00 0.46 C ATOM 1258 O LYS A 90 10.551 7.280 7.033 1.00 0.53 O ATOM 1259 CB LYS A 90 11.770 5.365 9.116 1.00 0.70 C ATOM 1260 CG LYS A 90 12.443 4.171 9.761 1.00 0.64 C ATOM 1261 CD LYS A 90 13.411 4.593 10.855 1.00 1.25 C ATOM 1262 CE LYS A 90 13.991 3.386 11.573 1.00 1.43 C ATOM 1263 NZ LYS A 90 12.992 2.738 12.465 1.00 2.05 N ATOM 0 H LYS A 90 12.717 5.937 6.456 1.00 0.46 H new ATOM 0 HA LYS A 90 10.769 4.108 7.680 1.00 0.49 H new ATOM 0 HB2 LYS A 90 12.475 6.195 9.080 1.00 0.70 H new ATOM 0 HB3 LYS A 90 10.934 5.683 9.739 1.00 0.70 H new ATOM 0 HG2 LYS A 90 11.685 3.509 10.181 1.00 0.64 H new ATOM 0 HG3 LYS A 90 12.978 3.601 9.002 1.00 0.64 H new ATOM 0 HD2 LYS A 90 14.218 5.184 10.422 1.00 1.25 H new ATOM 0 HD3 LYS A 90 12.897 5.233 11.572 1.00 1.25 H new ATOM 0 HE2 LYS A 90 14.345 2.663 10.839 1.00 1.43 H new ATOM 0 HE3 LYS A 90 14.856 3.694 12.160 1.00 1.43 H new ATOM 0 HZ1 LYS A 90 13.460 2.006 13.037 1.00 2.05 H new ATOM 0 HZ2 LYS A 90 12.573 3.453 13.094 1.00 2.05 H new ATOM 0 HZ3 LYS A 90 12.244 2.302 11.889 1.00 2.05 H new ATOM 1277 N MET A 91 8.968 5.688 7.250 1.00 0.42 N ATOM 1278 CA MET A 91 7.845 6.556 6.912 1.00 0.45 C ATOM 1279 C MET A 91 6.640 6.188 7.772 1.00 0.42 C ATOM 1280 O MET A 91 6.307 5.011 7.906 1.00 0.46 O ATOM 1281 CB MET A 91 7.497 6.441 5.425 1.00 0.49 C ATOM 1282 CG MET A 91 8.530 7.082 4.511 1.00 1.03 C ATOM 1283 SD MET A 91 8.027 7.076 2.779 1.00 1.51 S ATOM 1284 CE MET A 91 9.381 7.982 2.030 1.00 1.96 C ATOM 0 H MET A 91 8.701 4.722 7.443 1.00 0.42 H new ATOM 0 HA MET A 91 8.126 7.590 7.111 1.00 0.45 H new ATOM 0 HB2 MET A 91 7.396 5.388 5.164 1.00 0.49 H new ATOM 0 HB3 MET A 91 6.528 6.908 5.249 1.00 0.49 H new ATOM 0 HG2 MET A 91 8.704 8.109 4.831 1.00 1.03 H new ATOM 0 HG3 MET A 91 9.477 6.552 4.612 1.00 1.03 H new ATOM 0 HE1 MET A 91 9.215 8.063 0.956 1.00 1.96 H new ATOM 0 HE2 MET A 91 9.435 8.980 2.465 1.00 1.96 H new ATOM 0 HE3 MET A 91 10.317 7.455 2.214 1.00 1.96 H new ATOM 1294 N VAL A 92 5.986 7.190 8.355 1.00 0.40 N ATOM 1295 CA VAL A 92 4.839 6.936 9.219 1.00 0.39 C ATOM 1296 C VAL A 92 3.525 7.434 8.623 1.00 0.38 C ATOM 1297 O VAL A 92 3.350 8.626 8.368 1.00 0.42 O ATOM 1298 CB VAL A 92 5.030 7.578 10.607 1.00 0.45 C ATOM 1299 CG1 VAL A 92 6.021 6.775 11.434 1.00 1.46 C ATOM 1300 CG2 VAL A 92 5.490 9.022 10.472 1.00 1.45 C ATOM 0 H VAL A 92 6.228 8.175 8.246 1.00 0.40 H new ATOM 0 HA VAL A 92 4.780 5.852 9.316 1.00 0.39 H new ATOM 0 HB VAL A 92 4.069 7.573 11.122 1.00 0.45 H new ATOM 0 HG11 VAL A 92 6.143 7.243 12.411 1.00 1.46 H new ATOM 0 HG12 VAL A 92 5.648 5.759 11.563 1.00 1.46 H new ATOM 0 HG13 VAL A 92 6.983 6.746 10.922 1.00 1.46 H new ATOM 0 HG21 VAL A 92 5.619 9.457 11.463 1.00 1.45 H new ATOM 0 HG22 VAL A 92 6.439 9.053 9.936 1.00 1.45 H new ATOM 0 HG23 VAL A 92 4.743 9.592 9.920 1.00 1.45 H new ATOM 1304 N THR A 93 2.608 6.498 8.409 1.00 0.37 N ATOM 1305 CA THR A 93 1.288 6.804 7.871 1.00 0.40 C ATOM 1306 C THR A 93 0.219 6.076 8.681 1.00 0.41 C ATOM 1307 O THR A 93 0.297 4.862 8.869 1.00 0.44 O ATOM 1308 CB THR A 93 1.170 6.404 6.387 1.00 0.44 C ATOM 1309 OG1 THR A 93 -0.192 6.517 5.955 1.00 0.52 O ATOM 1310 CG2 THR A 93 1.660 4.982 6.165 1.00 0.47 C ATOM 0 H THR A 93 2.758 5.508 8.603 1.00 0.37 H new ATOM 0 HA THR A 93 1.142 7.882 7.943 1.00 0.40 H new ATOM 0 HB THR A 93 1.795 7.080 5.803 1.00 0.44 H new ATOM 0 HG1 THR A 93 -0.258 6.263 5.011 1.00 0.52 H new ATOM 0 HG21 THR A 93 1.566 4.725 5.110 1.00 0.47 H new ATOM 0 HG22 THR A 93 2.705 4.906 6.465 1.00 0.47 H new ATOM 0 HG23 THR A 93 1.061 4.293 6.761 1.00 0.47 H new ATOM 1315 N THR A 94 -0.777 6.812 9.164 1.00 0.42 N ATOM 1316 CA THR A 94 -1.834 6.207 9.971 1.00 0.46 C ATOM 1317 C THR A 94 -3.212 6.401 9.348 1.00 0.51 C ATOM 1318 O THR A 94 -3.601 7.517 9.004 1.00 0.57 O ATOM 1319 CB THR A 94 -1.847 6.782 11.399 1.00 0.52 C ATOM 1320 OG1 THR A 94 -0.545 6.667 11.987 1.00 1.23 O ATOM 1321 CG2 THR A 94 -2.862 6.053 12.268 1.00 1.12 C ATOM 0 H THR A 94 -0.876 7.816 9.014 1.00 0.42 H new ATOM 0 HA THR A 94 -1.614 5.140 10.010 1.00 0.46 H new ATOM 0 HB THR A 94 -2.129 7.833 11.339 1.00 0.52 H new ATOM 0 HG1 THR A 94 -0.449 7.330 12.702 1.00 1.23 H new ATOM 0 HG21 THR A 94 -2.853 6.477 13.272 1.00 1.12 H new ATOM 0 HG22 THR A 94 -3.857 6.164 11.836 1.00 1.12 H new ATOM 0 HG23 THR A 94 -2.604 4.995 12.319 1.00 1.12 H new ATOM 1326 N PHE A 95 -3.946 5.299 9.216 1.00 0.53 N ATOM 1327 CA PHE A 95 -5.293 5.330 8.657 1.00 0.61 C ATOM 1328 C PHE A 95 -6.217 4.417 9.458 1.00 0.67 C ATOM 1329 O PHE A 95 -5.909 3.243 9.676 1.00 0.76 O ATOM 1330 CB PHE A 95 -5.278 4.918 7.178 1.00 0.73 C ATOM 1331 CG PHE A 95 -5.018 3.454 6.946 1.00 0.58 C ATOM 1332 CD1 PHE A 95 -3.723 2.960 6.959 1.00 0.58 C ATOM 1333 CD2 PHE A 95 -6.065 2.576 6.716 1.00 0.73 C ATOM 1334 CE1 PHE A 95 -3.476 1.618 6.746 1.00 0.75 C ATOM 1335 CE2 PHE A 95 -5.824 1.231 6.503 1.00 0.94 C ATOM 1336 CZ PHE A 95 -4.548 0.747 6.516 1.00 0.96 C ATOM 0 H PHE A 95 -3.628 4.370 9.490 1.00 0.53 H new ATOM 0 HA PHE A 95 -5.670 6.351 8.720 1.00 0.61 H new ATOM 0 HB2 PHE A 95 -6.236 5.180 6.730 1.00 0.73 H new ATOM 0 HB3 PHE A 95 -4.514 5.497 6.659 1.00 0.73 H new ATOM 0 HD1 PHE A 95 -2.897 3.633 7.138 1.00 0.58 H new ATOM 0 HD2 PHE A 95 -7.080 2.946 6.703 1.00 0.73 H new ATOM 0 HE1 PHE A 95 -2.463 1.243 6.757 1.00 0.75 H new ATOM 0 HE2 PHE A 95 -6.651 0.559 6.325 1.00 0.94 H new ATOM 0 HZ PHE A 95 -4.366 -0.304 6.349 1.00 0.96 H new ATOM 1346 N LYS A 96 -7.344 4.962 9.911 1.00 0.74 N ATOM 1347 CA LYS A 96 -8.303 4.193 10.697 1.00 0.83 C ATOM 1348 C LYS A 96 -7.609 3.520 11.880 1.00 0.85 C ATOM 1349 O LYS A 96 -6.565 3.983 12.341 1.00 1.43 O ATOM 1350 CB LYS A 96 -8.992 3.143 9.819 1.00 0.91 C ATOM 1351 CG LYS A 96 -9.873 3.736 8.729 1.00 1.27 C ATOM 1352 CD LYS A 96 -11.056 4.499 9.310 1.00 1.53 C ATOM 1353 CE LYS A 96 -11.988 3.578 10.084 1.00 1.76 C ATOM 1354 NZ LYS A 96 -12.669 2.597 9.194 1.00 2.52 N ATOM 0 H LYS A 96 -7.614 5.932 9.747 1.00 0.74 H new ATOM 0 HA LYS A 96 -9.059 4.877 11.082 1.00 0.83 H new ATOM 0 HB2 LYS A 96 -8.231 2.514 9.356 1.00 0.91 H new ATOM 0 HB3 LYS A 96 -9.599 2.496 10.452 1.00 0.91 H new ATOM 0 HG2 LYS A 96 -9.280 4.405 8.106 1.00 1.27 H new ATOM 0 HG3 LYS A 96 -10.238 2.938 8.082 1.00 1.27 H new ATOM 0 HD2 LYS A 96 -10.693 5.288 9.969 1.00 1.53 H new ATOM 0 HD3 LYS A 96 -11.608 4.984 8.505 1.00 1.53 H new ATOM 0 HE2 LYS A 96 -11.420 3.043 10.845 1.00 1.76 H new ATOM 0 HE3 LYS A 96 -12.736 4.175 10.606 1.00 1.76 H new ATOM 0 HZ1 LYS A 96 -13.415 2.105 9.726 1.00 2.52 H new ATOM 0 HZ2 LYS A 96 -13.092 3.097 8.386 1.00 2.52 H new ATOM 0 HZ3 LYS A 96 -11.976 1.903 8.848 1.00 2.52 H new ATOM 1368 N GLY A 97 -8.190 2.427 12.367 1.00 0.78 N ATOM 1369 CA GLY A 97 -7.604 1.714 13.486 1.00 0.80 C ATOM 1370 C GLY A 97 -6.507 0.757 13.056 1.00 0.70 C ATOM 1371 O GLY A 97 -6.265 -0.256 13.712 1.00 0.83 O ATOM 0 H GLY A 97 -9.055 2.024 12.007 1.00 0.78 H new ATOM 0 HA2 GLY A 97 -7.196 2.433 14.197 1.00 0.80 H new ATOM 0 HA3 GLY A 97 -8.384 1.158 14.006 1.00 0.80 H new ATOM 1375 N ILE A 98 -5.842 1.080 11.949 1.00 0.57 N ATOM 1376 CA ILE A 98 -4.767 0.242 11.429 1.00 0.50 C ATOM 1377 C ILE A 98 -3.459 1.026 11.335 1.00 0.45 C ATOM 1378 O ILE A 98 -3.449 2.185 10.917 1.00 0.48 O ATOM 1379 CB ILE A 98 -5.115 -0.326 10.035 1.00 0.52 C ATOM 1380 CG1 ILE A 98 -6.432 -1.106 10.081 1.00 0.71 C ATOM 1381 CG2 ILE A 98 -3.991 -1.216 9.527 1.00 0.59 C ATOM 1382 CD1 ILE A 98 -7.663 -0.233 9.950 1.00 1.45 C ATOM 0 H ILE A 98 -6.030 1.916 11.396 1.00 0.57 H new ATOM 0 HA ILE A 98 -4.645 -0.586 12.127 1.00 0.50 H new ATOM 0 HB ILE A 98 -5.235 0.510 9.346 1.00 0.52 H new ATOM 0 HG12 ILE A 98 -6.435 -1.845 9.279 1.00 0.71 H new ATOM 0 HG13 ILE A 98 -6.486 -1.655 11.021 1.00 0.71 H new ATOM 0 HG21 ILE A 98 -4.253 -1.608 8.544 1.00 0.59 H new ATOM 0 HG22 ILE A 98 -3.072 -0.635 9.453 1.00 0.59 H new ATOM 0 HG23 ILE A 98 -3.842 -2.044 10.219 1.00 0.59 H new ATOM 0 HD11 ILE A 98 -8.557 -0.856 9.991 1.00 1.45 H new ATOM 0 HD12 ILE A 98 -7.686 0.489 10.766 1.00 1.45 H new ATOM 0 HD13 ILE A 98 -7.634 0.297 8.998 1.00 1.45 H new ATOM 1386 N LYS A 99 -2.358 0.387 11.726 1.00 0.41 N ATOM 1387 CA LYS A 99 -1.047 1.029 11.684 1.00 0.39 C ATOM 1388 C LYS A 99 -0.297 0.641 10.415 1.00 0.37 C ATOM 1389 O LYS A 99 -0.148 -0.543 10.107 1.00 0.40 O ATOM 1390 CB LYS A 99 -0.214 0.634 12.905 1.00 0.42 C ATOM 1391 CG LYS A 99 0.865 1.645 13.257 1.00 0.95 C ATOM 1392 CD LYS A 99 0.268 2.960 13.738 1.00 1.46 C ATOM 1393 CE LYS A 99 1.346 3.999 14.003 1.00 2.05 C ATOM 1394 NZ LYS A 99 0.766 5.291 14.466 1.00 2.71 N ATOM 0 H LYS A 99 -2.348 -0.572 12.074 1.00 0.41 H new ATOM 0 HA LYS A 99 -1.204 2.108 11.690 1.00 0.39 H new ATOM 0 HB2 LYS A 99 -0.876 0.509 13.762 1.00 0.42 H new ATOM 0 HB3 LYS A 99 0.253 -0.333 12.719 1.00 0.42 H new ATOM 0 HG2 LYS A 99 1.511 1.233 14.033 1.00 0.95 H new ATOM 0 HG3 LYS A 99 1.492 1.827 12.384 1.00 0.95 H new ATOM 0 HD2 LYS A 99 -0.428 3.340 12.990 1.00 1.46 H new ATOM 0 HD3 LYS A 99 -0.305 2.789 14.649 1.00 1.46 H new ATOM 0 HE2 LYS A 99 2.038 3.621 14.755 1.00 2.05 H new ATOM 0 HE3 LYS A 99 1.923 4.165 13.093 1.00 2.05 H new ATOM 0 HZ1 LYS A 99 1.523 5.896 14.844 1.00 2.71 H new ATOM 0 HZ2 LYS A 99 0.306 5.771 13.667 1.00 2.71 H new ATOM 0 HZ3 LYS A 99 0.064 5.109 15.211 1.00 2.71 H new ATOM 1408 N SER A 100 0.172 1.643 9.679 1.00 0.36 N ATOM 1409 CA SER A 100 0.909 1.399 8.446 1.00 0.36 C ATOM 1410 C SER A 100 2.302 2.019 8.506 1.00 0.34 C ATOM 1411 O SER A 100 2.447 3.228 8.684 1.00 0.34 O ATOM 1412 CB SER A 100 0.142 1.958 7.249 1.00 0.40 C ATOM 1413 OG SER A 100 0.857 1.751 6.043 1.00 1.23 O ATOM 0 H SER A 100 0.055 2.629 9.914 1.00 0.36 H new ATOM 0 HA SER A 100 1.018 0.321 8.329 1.00 0.36 H new ATOM 0 HB2 SER A 100 -0.835 1.479 7.183 1.00 0.40 H new ATOM 0 HB3 SER A 100 -0.035 3.024 7.392 1.00 0.40 H new ATOM 0 HG SER A 100 0.344 2.116 5.292 1.00 1.23 H new ATOM 1419 N VAL A 101 3.320 1.181 8.354 1.00 0.34 N ATOM 1420 CA VAL A 101 4.702 1.645 8.373 1.00 0.33 C ATOM 1421 C VAL A 101 5.449 1.128 7.150 1.00 0.33 C ATOM 1422 O VAL A 101 5.533 -0.080 6.925 1.00 0.36 O ATOM 1423 CB VAL A 101 5.438 1.187 9.650 1.00 0.37 C ATOM 1424 CG1 VAL A 101 6.897 1.618 9.612 1.00 0.49 C ATOM 1425 CG2 VAL A 101 4.746 1.738 10.888 1.00 0.59 C ATOM 0 H VAL A 101 3.215 0.176 8.216 1.00 0.34 H new ATOM 0 HA VAL A 101 4.680 2.735 8.360 1.00 0.33 H new ATOM 0 HB VAL A 101 5.407 0.098 9.695 1.00 0.37 H new ATOM 0 HG11 VAL A 101 7.398 1.286 10.521 1.00 0.49 H new ATOM 0 HG12 VAL A 101 7.385 1.173 8.745 1.00 0.49 H new ATOM 0 HG13 VAL A 101 6.954 2.704 9.543 1.00 0.49 H new ATOM 0 HG21 VAL A 101 5.277 1.406 11.780 1.00 0.59 H new ATOM 0 HG22 VAL A 101 4.746 2.827 10.850 1.00 0.59 H new ATOM 0 HG23 VAL A 101 3.718 1.376 10.922 1.00 0.59 H new ATOM 1429 N THR A 102 5.991 2.051 6.363 1.00 0.35 N ATOM 1430 CA THR A 102 6.721 1.689 5.158 1.00 0.40 C ATOM 1431 C THR A 102 8.197 2.053 5.261 1.00 0.37 C ATOM 1432 O THR A 102 8.550 3.172 5.634 1.00 0.39 O ATOM 1433 CB THR A 102 6.119 2.375 3.916 1.00 0.50 C ATOM 1434 OG1 THR A 102 4.739 2.016 3.778 1.00 0.55 O ATOM 1435 CG2 THR A 102 6.875 1.986 2.653 1.00 0.59 C ATOM 0 H THR A 102 5.938 3.054 6.539 1.00 0.35 H new ATOM 0 HA THR A 102 6.633 0.608 5.053 1.00 0.40 H new ATOM 0 HB THR A 102 6.205 3.453 4.052 1.00 0.50 H new ATOM 0 HG1 THR A 102 4.364 2.457 2.988 1.00 0.55 H new ATOM 0 HG21 THR A 102 6.428 2.485 1.793 1.00 0.59 H new ATOM 0 HG22 THR A 102 7.918 2.288 2.746 1.00 0.59 H new ATOM 0 HG23 THR A 102 6.821 0.906 2.515 1.00 0.59 H new ATOM 1440 N GLU A 103 9.056 1.095 4.926 1.00 0.37 N ATOM 1441 CA GLU A 103 10.496 1.314 4.948 1.00 0.38 C ATOM 1442 C GLU A 103 10.968 1.677 3.547 1.00 0.41 C ATOM 1443 O GLU A 103 10.685 0.959 2.588 1.00 0.47 O ATOM 1444 CB GLU A 103 11.219 0.062 5.462 1.00 0.43 C ATOM 1445 CG GLU A 103 12.717 0.050 5.189 1.00 1.12 C ATOM 1446 CD GLU A 103 13.061 -0.536 3.833 1.00 1.63 C ATOM 1447 OE1 GLU A 103 13.105 -1.778 3.716 1.00 2.08 O ATOM 1448 OE2 GLU A 103 13.286 0.247 2.887 1.00 2.10 O ATOM 0 H GLU A 103 8.778 0.158 4.636 1.00 0.37 H new ATOM 0 HA GLU A 103 10.730 2.135 5.625 1.00 0.38 H new ATOM 0 HB2 GLU A 103 11.056 -0.022 6.536 1.00 0.43 H new ATOM 0 HB3 GLU A 103 10.770 -0.818 5.001 1.00 0.43 H new ATOM 0 HG2 GLU A 103 13.101 1.068 5.248 1.00 1.12 H new ATOM 0 HG3 GLU A 103 13.219 -0.525 5.967 1.00 1.12 H new ATOM 1455 N PHE A 104 11.686 2.788 3.426 1.00 0.43 N ATOM 1456 CA PHE A 104 12.150 3.237 2.113 1.00 0.49 C ATOM 1457 C PHE A 104 13.661 3.101 1.939 1.00 0.52 C ATOM 1458 O PHE A 104 14.446 3.774 2.609 1.00 0.62 O ATOM 1459 CB PHE A 104 11.738 4.693 1.894 1.00 0.64 C ATOM 1460 CG PHE A 104 10.888 4.900 0.675 1.00 0.56 C ATOM 1461 CD1 PHE A 104 9.516 4.718 0.734 1.00 0.61 C ATOM 1462 CD2 PHE A 104 11.460 5.276 -0.530 1.00 0.69 C ATOM 1463 CE1 PHE A 104 8.731 4.906 -0.387 1.00 0.79 C ATOM 1464 CE2 PHE A 104 10.680 5.466 -1.653 1.00 0.78 C ATOM 1465 CZ PHE A 104 9.315 5.288 -1.582 1.00 0.83 C ATOM 0 H PHE A 104 11.957 3.388 4.205 1.00 0.43 H new ATOM 0 HA PHE A 104 11.682 2.591 1.370 1.00 0.49 H new ATOM 0 HB2 PHE A 104 11.193 5.043 2.770 1.00 0.64 H new ATOM 0 HB3 PHE A 104 12.635 5.307 1.810 1.00 0.64 H new ATOM 0 HD1 PHE A 104 9.055 4.426 1.666 1.00 0.61 H new ATOM 0 HD2 PHE A 104 12.528 5.422 -0.591 1.00 0.69 H new ATOM 0 HE1 PHE A 104 7.663 4.755 -0.331 1.00 0.79 H new ATOM 0 HE2 PHE A 104 11.139 5.754 -2.587 1.00 0.78 H new ATOM 0 HZ PHE A 104 8.702 5.446 -2.457 1.00 0.83 H new ATOM 1475 N ASN A 105 14.058 2.257 0.991 1.00 0.53 N ATOM 1476 CA ASN A 105 15.465 2.043 0.688 1.00 0.62 C ATOM 1477 C ASN A 105 15.722 2.293 -0.792 1.00 0.67 C ATOM 1478 O ASN A 105 14.816 2.159 -1.617 1.00 0.81 O ATOM 1479 CB ASN A 105 15.894 0.625 1.066 1.00 0.69 C ATOM 1480 CG ASN A 105 16.133 0.463 2.556 1.00 1.24 C ATOM 1481 OD1 ASN A 105 16.571 1.534 3.209 1.00 1.72 O flip ATOM 1482 ND2 ASN A 105 15.929 -0.616 3.115 1.00 1.53 N flip ATOM 0 H ASN A 105 13.418 1.708 0.417 1.00 0.53 H new ATOM 0 HA ASN A 105 16.055 2.745 1.277 1.00 0.62 H new ATOM 0 HB2 ASN A 105 15.126 -0.080 0.747 1.00 0.69 H new ATOM 0 HB3 ASN A 105 16.806 0.370 0.526 1.00 0.69 H new ATOM 0 HD21 ASN A 105 15.592 -1.414 2.576 1.00 1.53 H new ATOM 0 HD22 ASN A 105 16.097 -0.711 4.117 1.00 1.53 H new ATOM 1487 N GLY A 106 16.951 2.664 -1.126 1.00 0.78 N ATOM 1488 CA GLY A 106 17.293 2.928 -2.511 1.00 0.82 C ATOM 1489 C GLY A 106 17.405 1.665 -3.346 1.00 0.94 C ATOM 1490 O GLY A 106 18.181 1.617 -4.301 1.00 1.44 O ATOM 0 H GLY A 106 17.717 2.787 -0.464 1.00 0.78 H new ATOM 0 HA2 GLY A 106 16.537 3.580 -2.948 1.00 0.82 H new ATOM 0 HA3 GLY A 106 18.239 3.467 -2.549 1.00 0.82 H new ATOM 1494 N ASP A 107 16.632 0.638 -2.993 1.00 0.74 N ATOM 1495 CA ASP A 107 16.660 -0.624 -3.727 1.00 0.93 C ATOM 1496 C ASP A 107 15.515 -1.546 -3.310 1.00 0.75 C ATOM 1497 O ASP A 107 15.153 -2.462 -4.049 1.00 0.67 O ATOM 1498 CB ASP A 107 17.995 -1.334 -3.508 1.00 1.22 C ATOM 1499 CG ASP A 107 18.273 -1.603 -2.042 1.00 1.91 C ATOM 1500 OD1 ASP A 107 17.827 -2.654 -1.536 1.00 2.43 O ATOM 1501 OD2 ASP A 107 18.937 -0.762 -1.398 1.00 2.55 O ATOM 0 H ASP A 107 15.982 0.656 -2.207 1.00 0.74 H new ATOM 0 HA ASP A 107 16.539 -0.389 -4.785 1.00 0.93 H new ATOM 0 HB2 ASP A 107 17.996 -2.277 -4.054 1.00 1.22 H new ATOM 0 HB3 ASP A 107 18.799 -0.726 -3.922 1.00 1.22 H new ATOM 1506 N THR A 108 14.947 -1.309 -2.130 1.00 0.74 N ATOM 1507 CA THR A 108 13.857 -2.146 -1.637 1.00 0.63 C ATOM 1508 C THR A 108 12.782 -1.333 -0.922 1.00 0.59 C ATOM 1509 O THR A 108 13.076 -0.341 -0.254 1.00 0.77 O ATOM 1510 CB THR A 108 14.382 -3.232 -0.681 1.00 0.75 C ATOM 1511 OG1 THR A 108 13.309 -4.090 -0.274 1.00 1.39 O ATOM 1512 CG2 THR A 108 15.034 -2.614 0.547 1.00 1.53 C ATOM 0 H THR A 108 15.220 -0.552 -1.503 1.00 0.74 H new ATOM 0 HA THR A 108 13.410 -2.613 -2.514 1.00 0.63 H new ATOM 0 HB THR A 108 15.133 -3.814 -1.215 1.00 0.75 H new ATOM 0 HG1 THR A 108 13.653 -4.779 0.333 1.00 1.39 H new ATOM 0 HG21 THR A 108 15.395 -3.405 1.204 1.00 1.53 H new ATOM 0 HG22 THR A 108 15.871 -1.988 0.238 1.00 1.53 H new ATOM 0 HG23 THR A 108 14.303 -2.006 1.080 1.00 1.53 H new ATOM 1517 N ILE A 109 11.532 -1.766 -1.072 1.00 0.45 N ATOM 1518 CA ILE A 109 10.402 -1.102 -0.430 1.00 0.44 C ATOM 1519 C ILE A 109 9.494 -2.119 0.259 1.00 0.37 C ATOM 1520 O ILE A 109 8.957 -3.021 -0.384 1.00 0.36 O ATOM 1521 CB ILE A 109 9.574 -0.291 -1.449 1.00 0.51 C ATOM 1522 CG1 ILE A 109 10.404 0.862 -2.016 1.00 0.72 C ATOM 1523 CG2 ILE A 109 8.295 0.235 -0.809 1.00 0.70 C ATOM 1524 CD1 ILE A 109 10.866 1.860 -0.974 1.00 1.54 C ATOM 0 H ILE A 109 11.277 -2.577 -1.635 1.00 0.45 H new ATOM 0 HA ILE A 109 10.811 -0.419 0.315 1.00 0.44 H new ATOM 0 HB ILE A 109 9.297 -0.954 -2.269 1.00 0.51 H new ATOM 0 HG12 ILE A 109 11.277 0.452 -2.524 1.00 0.72 H new ATOM 0 HG13 ILE A 109 9.814 1.385 -2.769 1.00 0.72 H new ATOM 0 HG21 ILE A 109 7.727 0.804 -1.545 1.00 0.70 H new ATOM 0 HG22 ILE A 109 7.694 -0.603 -0.455 1.00 0.70 H new ATOM 0 HG23 ILE A 109 8.548 0.881 0.032 1.00 0.70 H new ATOM 0 HD11 ILE A 109 11.448 2.646 -1.456 1.00 1.54 H new ATOM 0 HD12 ILE A 109 9.999 2.300 -0.482 1.00 1.54 H new ATOM 0 HD13 ILE A 109 11.485 1.353 -0.234 1.00 1.54 H new ATOM 1528 N THR A 110 9.327 -1.965 1.571 1.00 0.37 N ATOM 1529 CA THR A 110 8.487 -2.870 2.349 1.00 0.34 C ATOM 1530 C THR A 110 7.286 -2.143 2.952 1.00 0.32 C ATOM 1531 O THR A 110 7.415 -1.033 3.465 1.00 0.37 O ATOM 1532 CB THR A 110 9.287 -3.539 3.484 1.00 0.39 C ATOM 1533 OG1 THR A 110 10.438 -4.204 2.947 1.00 0.44 O ATOM 1534 CG2 THR A 110 8.425 -4.542 4.237 1.00 0.41 C ATOM 0 H THR A 110 9.763 -1.222 2.117 1.00 0.37 H new ATOM 0 HA THR A 110 8.131 -3.634 1.658 1.00 0.34 H new ATOM 0 HB THR A 110 9.606 -2.762 4.179 1.00 0.39 H new ATOM 0 HG1 THR A 110 10.942 -4.625 3.675 1.00 0.44 H new ATOM 0 HG21 THR A 110 9.012 -5.001 5.033 1.00 0.41 H new ATOM 0 HG22 THR A 110 7.565 -4.031 4.669 1.00 0.41 H new ATOM 0 HG23 THR A 110 8.080 -5.314 3.549 1.00 0.41 H new ATOM 1539 N ASN A 111 6.117 -2.778 2.886 1.00 0.31 N ATOM 1540 CA ASN A 111 4.895 -2.197 3.439 1.00 0.33 C ATOM 1541 C ASN A 111 4.407 -3.019 4.630 1.00 0.31 C ATOM 1542 O ASN A 111 4.322 -4.243 4.548 1.00 0.32 O ATOM 1543 CB ASN A 111 3.802 -2.128 2.370 1.00 0.39 C ATOM 1544 CG ASN A 111 2.507 -1.543 2.902 1.00 1.15 C ATOM 1545 OD1 ASN A 111 2.618 -0.623 3.853 1.00 1.89 O flip ATOM 1546 ND2 ASN A 111 1.420 -1.912 2.459 1.00 1.95 N flip ATOM 0 H ASN A 111 5.990 -3.694 2.456 1.00 0.31 H new ATOM 0 HA ASN A 111 5.120 -1.185 3.776 1.00 0.33 H new ATOM 0 HB2 ASN A 111 4.154 -1.524 1.534 1.00 0.39 H new ATOM 0 HB3 ASN A 111 3.613 -3.129 1.983 1.00 0.39 H new ATOM 0 HD21 ASN A 111 1.382 -2.622 1.728 1.00 1.95 H new ATOM 0 HD22 ASN A 111 0.557 -1.508 2.823 1.00 1.95 H new ATOM 1551 N THR A 112 4.086 -2.347 5.737 1.00 0.31 N ATOM 1552 CA THR A 112 3.623 -3.046 6.933 1.00 0.30 C ATOM 1553 C THR A 112 2.226 -2.609 7.362 1.00 0.30 C ATOM 1554 O THR A 112 2.007 -1.451 7.713 1.00 0.32 O ATOM 1555 CB THR A 112 4.580 -2.822 8.120 1.00 0.32 C ATOM 1556 OG1 THR A 112 5.940 -2.919 7.678 1.00 0.47 O ATOM 1557 CG2 THR A 112 4.327 -3.845 9.217 1.00 0.57 C ATOM 0 H THR A 112 4.138 -1.332 5.829 1.00 0.31 H new ATOM 0 HA THR A 112 3.597 -4.102 6.663 1.00 0.30 H new ATOM 0 HB THR A 112 4.398 -1.825 8.522 1.00 0.32 H new ATOM 0 HG1 THR A 112 6.230 -2.054 7.321 1.00 0.47 H new ATOM 0 HG21 THR A 112 5.014 -3.668 10.045 1.00 0.57 H new ATOM 0 HG22 THR A 112 3.300 -3.752 9.571 1.00 0.57 H new ATOM 0 HG23 THR A 112 4.486 -4.849 8.822 1.00 0.57 H new ATOM 1562 N MET A 113 1.285 -3.548 7.329 1.00 0.31 N ATOM 1563 CA MET A 113 -0.088 -3.283 7.752 1.00 0.33 C ATOM 1564 C MET A 113 -0.501 -4.292 8.818 1.00 0.33 C ATOM 1565 O MET A 113 -0.495 -5.497 8.572 1.00 0.35 O ATOM 1566 CB MET A 113 -1.047 -3.343 6.561 1.00 0.36 C ATOM 1567 CG MET A 113 -0.810 -2.250 5.533 1.00 0.45 C ATOM 1568 SD MET A 113 -2.165 -2.093 4.355 1.00 0.55 S ATOM 1569 CE MET A 113 -2.184 -3.733 3.636 1.00 1.51 C ATOM 0 H MET A 113 1.449 -4.504 7.012 1.00 0.31 H new ATOM 0 HA MET A 113 -0.136 -2.278 8.172 1.00 0.33 H new ATOM 0 HB2 MET A 113 -0.950 -4.314 6.075 1.00 0.36 H new ATOM 0 HB3 MET A 113 -2.071 -3.271 6.926 1.00 0.36 H new ATOM 0 HG2 MET A 113 -0.669 -1.299 6.047 1.00 0.45 H new ATOM 0 HG3 MET A 113 0.113 -2.460 4.992 1.00 0.45 H new ATOM 0 HE1 MET A 113 -2.995 -3.803 2.911 1.00 1.51 H new ATOM 0 HE2 MET A 113 -1.234 -3.922 3.136 1.00 1.51 H new ATOM 0 HE3 MET A 113 -2.334 -4.473 4.422 1.00 1.51 H new ATOM 1579 N THR A 114 -0.867 -3.802 9.998 1.00 0.34 N ATOM 1580 CA THR A 114 -1.259 -4.683 11.092 1.00 0.35 C ATOM 1581 C THR A 114 -2.674 -4.392 11.579 1.00 0.39 C ATOM 1582 O THR A 114 -3.000 -3.261 11.940 1.00 0.43 O ATOM 1583 CB THR A 114 -0.285 -4.561 12.281 1.00 0.42 C ATOM 1584 OG1 THR A 114 1.061 -4.762 11.833 1.00 0.54 O ATOM 1585 CG2 THR A 114 -0.618 -5.579 13.363 1.00 0.56 C ATOM 0 H THR A 114 -0.900 -2.807 10.220 1.00 0.34 H new ATOM 0 HA THR A 114 -1.227 -5.698 10.697 1.00 0.35 H new ATOM 0 HB THR A 114 -0.385 -3.560 12.701 1.00 0.42 H new ATOM 0 HG1 THR A 114 1.674 -4.681 12.593 1.00 0.54 H new ATOM 0 HG21 THR A 114 0.083 -5.473 14.191 1.00 0.56 H new ATOM 0 HG22 THR A 114 -1.633 -5.409 13.723 1.00 0.56 H new ATOM 0 HG23 THR A 114 -0.543 -6.585 12.951 1.00 0.56 H new ATOM 1590 N LEU A 115 -3.512 -5.427 11.587 1.00 0.42 N ATOM 1591 CA LEU A 115 -4.891 -5.296 12.045 1.00 0.50 C ATOM 1592 C LEU A 115 -5.261 -6.460 12.961 1.00 0.60 C ATOM 1593 O LEU A 115 -5.294 -7.612 12.531 1.00 0.67 O ATOM 1594 CB LEU A 115 -5.850 -5.239 10.852 1.00 0.56 C ATOM 1595 CG LEU A 115 -7.340 -5.251 11.207 1.00 1.04 C ATOM 1596 CD1 LEU A 115 -7.694 -4.071 12.101 1.00 1.80 C ATOM 1597 CD2 LEU A 115 -8.187 -5.229 9.944 1.00 1.85 C ATOM 0 H LEU A 115 -3.258 -6.366 11.281 1.00 0.42 H new ATOM 0 HA LEU A 115 -4.979 -4.366 12.607 1.00 0.50 H new ATOM 0 HB2 LEU A 115 -5.637 -4.336 10.279 1.00 0.56 H new ATOM 0 HB3 LEU A 115 -5.642 -6.087 10.199 1.00 0.56 H new ATOM 0 HG LEU A 115 -7.551 -6.170 11.754 1.00 1.04 H new ATOM 0 HD11 LEU A 115 -8.757 -4.101 12.339 1.00 1.80 H new ATOM 0 HD12 LEU A 115 -7.114 -4.125 13.022 1.00 1.80 H new ATOM 0 HD13 LEU A 115 -7.465 -3.140 11.582 1.00 1.80 H new ATOM 0 HD21 LEU A 115 -9.243 -5.238 10.214 1.00 1.85 H new ATOM 0 HD22 LEU A 115 -7.966 -4.327 9.373 1.00 1.85 H new ATOM 0 HD23 LEU A 115 -7.960 -6.106 9.338 1.00 1.85 H new ATOM 1603 N GLY A 116 -5.539 -6.149 14.224 1.00 0.69 N ATOM 1604 CA GLY A 116 -5.897 -7.181 15.181 1.00 0.84 C ATOM 1605 C GLY A 116 -4.684 -7.926 15.705 1.00 0.93 C ATOM 1606 O GLY A 116 -4.271 -7.727 16.848 1.00 1.80 O ATOM 0 H GLY A 116 -5.523 -5.202 14.601 1.00 0.69 H new ATOM 0 HA2 GLY A 116 -6.432 -6.729 16.016 1.00 0.84 H new ATOM 0 HA3 GLY A 116 -6.580 -7.888 14.711 1.00 0.84 H new ATOM 1610 N ASP A 117 -4.114 -8.787 14.867 1.00 0.53 N ATOM 1611 CA ASP A 117 -2.939 -9.567 15.246 1.00 0.54 C ATOM 1612 C ASP A 117 -2.270 -10.163 14.008 1.00 0.50 C ATOM 1613 O ASP A 117 -1.454 -11.078 14.106 1.00 0.56 O ATOM 1614 CB ASP A 117 -3.337 -10.682 16.218 1.00 0.61 C ATOM 1615 CG ASP A 117 -2.140 -11.385 16.825 1.00 1.52 C ATOM 1616 OD1 ASP A 117 -1.557 -10.845 17.790 1.00 2.23 O ATOM 1617 OD2 ASP A 117 -1.781 -12.477 16.337 1.00 2.14 O ATOM 0 H ASP A 117 -4.447 -8.963 13.919 1.00 0.53 H new ATOM 0 HA ASP A 117 -2.228 -8.905 15.740 1.00 0.54 H new ATOM 0 HB2 ASP A 117 -3.949 -10.261 17.016 1.00 0.61 H new ATOM 0 HB3 ASP A 117 -3.954 -11.412 15.694 1.00 0.61 H new ATOM 1622 N ILE A 118 -2.620 -9.626 12.842 1.00 0.45 N ATOM 1623 CA ILE A 118 -2.065 -10.099 11.580 1.00 0.45 C ATOM 1624 C ILE A 118 -1.036 -9.117 11.031 1.00 0.38 C ATOM 1625 O ILE A 118 -1.247 -7.905 11.059 1.00 0.37 O ATOM 1626 CB ILE A 118 -3.172 -10.296 10.529 1.00 0.50 C ATOM 1627 CG1 ILE A 118 -4.456 -10.790 11.198 1.00 0.53 C ATOM 1628 CG2 ILE A 118 -2.710 -11.278 9.461 1.00 0.61 C ATOM 1629 CD1 ILE A 118 -5.654 -10.798 10.277 1.00 0.83 C ATOM 0 H ILE A 118 -3.288 -8.861 12.747 1.00 0.45 H new ATOM 0 HA ILE A 118 -1.582 -11.055 11.781 1.00 0.45 H new ATOM 0 HB ILE A 118 -3.381 -9.339 10.052 1.00 0.50 H new ATOM 0 HG12 ILE A 118 -4.293 -11.799 11.577 1.00 0.53 H new ATOM 0 HG13 ILE A 118 -4.674 -10.157 12.058 1.00 0.53 H new ATOM 0 HG21 ILE A 118 -3.500 -11.410 8.722 1.00 0.61 H new ATOM 0 HG22 ILE A 118 -1.817 -10.890 8.971 1.00 0.61 H new ATOM 0 HG23 ILE A 118 -2.481 -12.238 9.924 1.00 0.61 H new ATOM 0 HD11 ILE A 118 -6.528 -11.160 10.819 1.00 0.83 H new ATOM 0 HD12 ILE A 118 -5.843 -9.787 9.917 1.00 0.83 H new ATOM 0 HD13 ILE A 118 -5.457 -11.454 9.429 1.00 0.83 H new ATOM 1633 N VAL A 119 0.074 -9.648 10.525 1.00 0.40 N ATOM 1634 CA VAL A 119 1.135 -8.812 9.974 1.00 0.36 C ATOM 1635 C VAL A 119 1.209 -8.927 8.458 1.00 0.35 C ATOM 1636 O VAL A 119 1.482 -9.995 7.915 1.00 0.38 O ATOM 1637 CB VAL A 119 2.507 -9.173 10.574 1.00 0.40 C ATOM 1638 CG1 VAL A 119 3.531 -8.095 10.251 1.00 1.35 C ATOM 1639 CG2 VAL A 119 2.395 -9.382 12.076 1.00 1.31 C ATOM 0 H VAL A 119 0.261 -10.650 10.485 1.00 0.40 H new ATOM 0 HA VAL A 119 0.888 -7.784 10.240 1.00 0.36 H new ATOM 0 HB VAL A 119 2.845 -10.108 10.126 1.00 0.40 H new ATOM 0 HG11 VAL A 119 4.494 -8.367 10.683 1.00 1.35 H new ATOM 0 HG12 VAL A 119 3.632 -8.001 9.170 1.00 1.35 H new ATOM 0 HG13 VAL A 119 3.202 -7.144 10.669 1.00 1.35 H new ATOM 0 HG21 VAL A 119 3.374 -9.636 12.482 1.00 1.31 H new ATOM 0 HG22 VAL A 119 2.034 -8.466 12.545 1.00 1.31 H new ATOM 0 HG23 VAL A 119 1.696 -10.193 12.279 1.00 1.31 H new ATOM 1643 N TYR A 120 0.972 -7.804 7.789 1.00 0.38 N ATOM 1644 CA TYR A 120 1.002 -7.747 6.333 1.00 0.38 C ATOM 1645 C TYR A 120 2.314 -7.127 5.860 1.00 0.37 C ATOM 1646 O TYR A 120 2.623 -5.982 6.191 1.00 0.41 O ATOM 1647 CB TYR A 120 -0.195 -6.925 5.841 1.00 0.43 C ATOM 1648 CG TYR A 120 -0.416 -6.945 4.345 1.00 0.67 C ATOM 1649 CD1 TYR A 120 0.358 -6.156 3.503 1.00 0.96 C ATOM 1650 CD2 TYR A 120 -1.381 -7.763 3.773 1.00 0.77 C ATOM 1651 CE1 TYR A 120 0.175 -6.180 2.135 1.00 1.28 C ATOM 1652 CE2 TYR A 120 -1.569 -7.795 2.404 1.00 1.08 C ATOM 1653 CZ TYR A 120 -0.856 -6.961 1.598 1.00 1.32 C ATOM 1654 OH TYR A 120 -0.973 -7.029 0.226 1.00 1.67 O ATOM 0 H TYR A 120 0.755 -6.914 8.237 1.00 0.38 H new ATOM 0 HA TYR A 120 0.937 -8.755 5.922 1.00 0.38 H new ATOM 0 HB2 TYR A 120 -1.096 -7.295 6.331 1.00 0.43 H new ATOM 0 HB3 TYR A 120 -0.061 -5.891 6.159 1.00 0.43 H new ATOM 0 HD1 TYR A 120 1.116 -5.513 3.926 1.00 0.96 H new ATOM 0 HD2 TYR A 120 -1.995 -8.384 4.408 1.00 0.77 H new ATOM 0 HE1 TYR A 120 0.819 -5.604 1.487 1.00 1.28 H new ATOM 0 HE2 TYR A 120 -2.282 -8.482 1.973 1.00 1.08 H new ATOM 0 HH TYR A 120 -1.729 -7.606 -0.010 1.00 1.67 H new ATOM 1664 N LYS A 121 3.085 -7.886 5.086 1.00 0.35 N ATOM 1665 CA LYS A 121 4.368 -7.410 4.581 1.00 0.36 C ATOM 1666 C LYS A 121 4.478 -7.579 3.067 1.00 0.35 C ATOM 1667 O LYS A 121 4.324 -8.682 2.545 1.00 0.36 O ATOM 1668 CB LYS A 121 5.513 -8.157 5.260 1.00 0.39 C ATOM 1669 CG LYS A 121 5.651 -7.854 6.743 1.00 0.91 C ATOM 1670 CD LYS A 121 6.810 -8.621 7.359 1.00 1.08 C ATOM 1671 CE LYS A 121 6.512 -10.109 7.449 1.00 1.35 C ATOM 1672 NZ LYS A 121 7.694 -10.884 7.916 1.00 2.05 N ATOM 0 H LYS A 121 2.843 -8.833 4.795 1.00 0.35 H new ATOM 0 HA LYS A 121 4.434 -6.347 4.811 1.00 0.36 H new ATOM 0 HB2 LYS A 121 5.362 -9.229 5.130 1.00 0.39 H new ATOM 0 HB3 LYS A 121 6.447 -7.904 4.759 1.00 0.39 H new ATOM 0 HG2 LYS A 121 5.804 -6.784 6.885 1.00 0.91 H new ATOM 0 HG3 LYS A 121 4.726 -8.115 7.257 1.00 0.91 H new ATOM 0 HD2 LYS A 121 7.709 -8.465 6.762 1.00 1.08 H new ATOM 0 HD3 LYS A 121 7.017 -8.230 8.355 1.00 1.08 H new ATOM 0 HE2 LYS A 121 5.678 -10.272 8.132 1.00 1.35 H new ATOM 0 HE3 LYS A 121 6.200 -10.477 6.472 1.00 1.35 H new ATOM 0 HZ1 LYS A 121 7.450 -11.894 7.964 1.00 2.05 H new ATOM 0 HZ2 LYS A 121 8.482 -10.749 7.251 1.00 2.05 H new ATOM 0 HZ3 LYS A 121 7.977 -10.551 8.860 1.00 2.05 H new ATOM 1686 N ARG A 122 4.755 -6.479 2.374 1.00 0.35 N ATOM 1687 CA ARG A 122 4.906 -6.505 0.922 1.00 0.36 C ATOM 1688 C ARG A 122 6.377 -6.381 0.539 1.00 0.34 C ATOM 1689 O ARG A 122 7.054 -5.434 0.940 1.00 0.36 O ATOM 1690 CB ARG A 122 4.096 -5.376 0.274 1.00 0.39 C ATOM 1691 CG ARG A 122 4.559 -5.008 -1.127 1.00 0.73 C ATOM 1692 CD ARG A 122 3.725 -3.877 -1.708 1.00 0.64 C ATOM 1693 NE ARG A 122 2.331 -4.267 -1.903 1.00 1.23 N ATOM 1694 CZ ARG A 122 1.464 -3.573 -2.635 1.00 1.44 C ATOM 1695 NH1 ARG A 122 1.847 -2.463 -3.253 1.00 1.14 N ATOM 1696 NH2 ARG A 122 0.211 -3.993 -2.755 1.00 2.32 N ATOM 0 H ARG A 122 4.880 -5.558 2.794 1.00 0.35 H new ATOM 0 HA ARG A 122 4.526 -7.459 0.556 1.00 0.36 H new ATOM 0 HB2 ARG A 122 3.048 -5.672 0.233 1.00 0.39 H new ATOM 0 HB3 ARG A 122 4.153 -4.491 0.908 1.00 0.39 H new ATOM 0 HG2 ARG A 122 5.608 -4.712 -1.099 1.00 0.73 H new ATOM 0 HG3 ARG A 122 4.492 -5.882 -1.775 1.00 0.73 H new ATOM 0 HD2 ARG A 122 3.770 -3.015 -1.043 1.00 0.64 H new ATOM 0 HD3 ARG A 122 4.151 -3.566 -2.662 1.00 0.64 H new ATOM 0 HE ARG A 122 2.003 -5.121 -1.452 1.00 1.23 H new ATOM 0 HH11 ARG A 122 2.810 -2.138 -3.168 1.00 1.14 H new ATOM 0 HH12 ARG A 122 1.178 -1.934 -3.813 1.00 1.14 H new ATOM 0 HH21 ARG A 122 -0.087 -4.848 -2.286 1.00 2.32 H new ATOM 0 HH22 ARG A 122 -0.454 -3.461 -3.316 1.00 2.32 H new ATOM 1710 N VAL A 123 6.861 -7.345 -0.240 1.00 0.32 N ATOM 1711 CA VAL A 123 8.252 -7.348 -0.683 1.00 0.32 C ATOM 1712 C VAL A 123 8.359 -6.898 -2.136 1.00 0.30 C ATOM 1713 O VAL A 123 7.784 -7.520 -3.030 1.00 0.33 O ATOM 1714 CB VAL A 123 8.881 -8.747 -0.542 1.00 0.36 C ATOM 1715 CG1 VAL A 123 10.360 -8.705 -0.894 1.00 0.41 C ATOM 1716 CG2 VAL A 123 8.676 -9.288 0.867 1.00 0.40 C ATOM 0 H VAL A 123 6.310 -8.134 -0.577 1.00 0.32 H new ATOM 0 HA VAL A 123 8.794 -6.650 -0.045 1.00 0.32 H new ATOM 0 HB VAL A 123 8.383 -9.420 -1.240 1.00 0.36 H new ATOM 0 HG11 VAL A 123 10.788 -9.702 -0.789 1.00 0.41 H new ATOM 0 HG12 VAL A 123 10.480 -8.366 -1.923 1.00 0.41 H new ATOM 0 HG13 VAL A 123 10.874 -8.017 -0.223 1.00 0.41 H new ATOM 0 HG21 VAL A 123 9.127 -10.277 0.946 1.00 0.40 H new ATOM 0 HG22 VAL A 123 9.145 -8.616 1.586 1.00 0.40 H new ATOM 0 HG23 VAL A 123 7.609 -9.358 1.078 1.00 0.40 H new ATOM 1720 N SER A 124 9.098 -5.817 -2.367 1.00 0.30 N ATOM 1721 CA SER A 124 9.271 -5.290 -3.714 1.00 0.31 C ATOM 1722 C SER A 124 10.736 -4.976 -4.001 1.00 0.32 C ATOM 1723 O SER A 124 11.450 -4.454 -3.145 1.00 0.36 O ATOM 1724 CB SER A 124 8.423 -4.031 -3.903 1.00 0.35 C ATOM 1725 OG SER A 124 7.049 -4.304 -3.688 1.00 1.14 O ATOM 0 H SER A 124 9.585 -5.291 -1.641 1.00 0.30 H new ATOM 0 HA SER A 124 8.942 -6.055 -4.417 1.00 0.31 H new ATOM 0 HB2 SER A 124 8.756 -3.257 -3.211 1.00 0.35 H new ATOM 0 HB3 SER A 124 8.566 -3.640 -4.911 1.00 0.35 H new ATOM 0 HG SER A 124 6.575 -3.468 -3.496 1.00 1.14 H new ATOM 1731 N LYS A 125 11.176 -5.298 -5.215 1.00 0.35 N ATOM 1732 CA LYS A 125 12.554 -5.046 -5.623 1.00 0.39 C ATOM 1733 C LYS A 125 12.624 -3.881 -6.606 1.00 0.35 C ATOM 1734 O LYS A 125 11.763 -3.738 -7.475 1.00 0.38 O ATOM 1735 CB LYS A 125 13.159 -6.301 -6.254 1.00 0.52 C ATOM 1736 CG LYS A 125 12.406 -6.797 -7.470 1.00 0.88 C ATOM 1737 CD LYS A 125 13.336 -7.437 -8.490 1.00 1.37 C ATOM 1738 CE LYS A 125 13.998 -8.692 -7.939 1.00 1.37 C ATOM 1739 NZ LYS A 125 14.919 -9.315 -8.930 1.00 2.04 N ATOM 0 H LYS A 125 10.597 -5.734 -5.933 1.00 0.35 H new ATOM 0 HA LYS A 125 13.129 -4.783 -4.735 1.00 0.39 H new ATOM 0 HB2 LYS A 125 14.191 -6.093 -6.537 1.00 0.52 H new ATOM 0 HB3 LYS A 125 13.187 -7.094 -5.507 1.00 0.52 H new ATOM 0 HG2 LYS A 125 11.653 -7.522 -7.160 1.00 0.88 H new ATOM 0 HG3 LYS A 125 11.876 -5.965 -7.933 1.00 0.88 H new ATOM 0 HD2 LYS A 125 12.773 -7.687 -9.389 1.00 1.37 H new ATOM 0 HD3 LYS A 125 14.103 -6.720 -8.784 1.00 1.37 H new ATOM 0 HE2 LYS A 125 14.553 -8.443 -7.035 1.00 1.37 H new ATOM 0 HE3 LYS A 125 13.231 -9.412 -7.654 1.00 1.37 H new ATOM 0 HZ1 LYS A 125 15.350 -10.167 -8.516 1.00 2.04 H new ATOM 0 HZ2 LYS A 125 14.385 -9.577 -9.783 1.00 2.04 H new ATOM 0 HZ3 LYS A 125 15.666 -8.637 -9.183 1.00 2.04 H new ATOM 1753 N ARG A 126 13.654 -3.053 -6.464 1.00 0.37 N ATOM 1754 CA ARG A 126 13.832 -1.900 -7.340 1.00 0.40 C ATOM 1755 C ARG A 126 14.440 -2.325 -8.672 1.00 0.44 C ATOM 1756 O ARG A 126 15.520 -2.917 -8.712 1.00 0.52 O ATOM 1757 CB ARG A 126 14.722 -0.854 -6.663 1.00 0.51 C ATOM 1758 CG ARG A 126 14.761 0.484 -7.385 1.00 0.63 C ATOM 1759 CD ARG A 126 15.858 0.522 -8.439 1.00 1.14 C ATOM 1760 NE ARG A 126 15.910 1.809 -9.127 1.00 1.70 N ATOM 1761 CZ ARG A 126 16.957 2.229 -9.832 1.00 2.27 C ATOM 1762 NH1 ARG A 126 18.033 1.463 -9.950 1.00 2.51 N ATOM 1763 NH2 ARG A 126 16.925 3.416 -10.421 1.00 3.09 N ATOM 0 H ARG A 126 14.377 -3.158 -5.752 1.00 0.37 H new ATOM 0 HA ARG A 126 12.854 -1.460 -7.533 1.00 0.40 H new ATOM 0 HB2 ARG A 126 14.369 -0.696 -5.644 1.00 0.51 H new ATOM 0 HB3 ARG A 126 15.736 -1.246 -6.591 1.00 0.51 H new ATOM 0 HG2 ARG A 126 13.796 0.671 -7.857 1.00 0.63 H new ATOM 0 HG3 ARG A 126 14.923 1.283 -6.662 1.00 0.63 H new ATOM 0 HD2 ARG A 126 16.821 0.323 -7.968 1.00 1.14 H new ATOM 0 HD3 ARG A 126 15.689 -0.272 -9.167 1.00 1.14 H new ATOM 0 HE ARG A 126 15.097 2.421 -9.063 1.00 1.70 H new ATOM 0 HH11 ARG A 126 18.060 0.548 -9.499 1.00 2.51 H new ATOM 0 HH12 ARG A 126 18.834 1.788 -10.491 1.00 2.51 H new ATOM 0 HH21 ARG A 126 16.098 4.007 -10.333 1.00 3.09 H new ATOM 0 HH22 ARG A 126 17.727 3.739 -10.962 1.00 3.09 H new ATOM 1777 N ILE A 127 13.741 -2.017 -9.760 1.00 0.48 N ATOM 1778 CA ILE A 127 14.211 -2.366 -11.094 1.00 0.58 C ATOM 1779 C ILE A 127 13.954 -1.234 -12.083 1.00 0.75 C ATOM 1780 O ILE A 127 14.787 -0.947 -12.943 1.00 1.31 O ATOM 1781 CB ILE A 127 13.533 -3.649 -11.611 1.00 0.76 C ATOM 1782 CG1 ILE A 127 12.009 -3.486 -11.607 1.00 0.82 C ATOM 1783 CG2 ILE A 127 13.948 -4.843 -10.764 1.00 1.23 C ATOM 1784 CD1 ILE A 127 11.272 -4.643 -12.249 1.00 1.21 C ATOM 0 H ILE A 127 12.847 -1.526 -9.743 1.00 0.48 H new ATOM 0 HA ILE A 127 15.284 -2.538 -11.015 1.00 0.58 H new ATOM 0 HB ILE A 127 13.856 -3.826 -12.637 1.00 0.76 H new ATOM 0 HG12 ILE A 127 11.667 -3.375 -10.578 1.00 0.82 H new ATOM 0 HG13 ILE A 127 11.749 -2.566 -12.130 1.00 0.82 H new ATOM 0 HG21 ILE A 127 13.462 -5.743 -11.140 1.00 1.23 H new ATOM 0 HG22 ILE A 127 15.030 -4.967 -10.815 1.00 1.23 H new ATOM 0 HG23 ILE A 127 13.650 -4.676 -9.729 1.00 1.23 H new ATOM 0 HD11 ILE A 127 10.199 -4.458 -12.209 1.00 1.21 H new ATOM 0 HD12 ILE A 127 11.585 -4.742 -13.288 1.00 1.21 H new ATOM 0 HD13 ILE A 127 11.501 -5.563 -11.712 1.00 1.21 H new