USER MOD reduce.3.24.130724 H: found=0, std=0, add=1051, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 1052 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 108 ASN : amide:sc= 0 X(o=-0.25,f=0.24) USER MOD Set 1.2: A 113 THR OG1 : rot 180:sc= -0.254 USER MOD Set 2.1: A 88 CYS SG : rot -118:sc= 1.04 USER MOD Set 2.2: A 137 TYR OH : rot -52:sc= 0.652 USER MOD Set 3.1: A 10 MET CE :methyl -157:sc= -1.34 (180deg=-1.89) USER MOD Set 3.2: A 73 THR OG1 : rot 169:sc= 0 USER MOD Set 3.3: A 119 ASN : amide:sc= 0.872 K(o=-0.47,f=-5.8!) USER MOD Set 4.1: A 43 THR OG1 : rot 180:sc= 0.924 USER MOD Set 4.2: A 45 THR OG1 : rot 116:sc= 1.04 USER MOD Set 5.1: A 16 THR OG1 : rot 118:sc= 1.43 USER MOD Set 5.2: A 20 CYS SG : rot -105:sc= 1.39 USER MOD Set 5.3: A 69 TYR OH : rot -17:sc= 0.314 USER MOD Set 6.1: A 6 LYS NZ :NH3+ 173:sc= 1.27 (180deg=0) USER MOD Set 6.2: A 50 TYR OH : rot 136:sc= -0.374 USER MOD Set 6.3: A 57 THR OG1 : rot 180:sc= 0.00529 USER MOD Set 7.1: A 5 GLN : amide:sc= -1.02 K(o=0.17,f=-3.2) USER MOD Set 7.2: A 35 THR OG1 : rot -76:sc= 1.19 USER MOD Single : A 11 GLN : amide:sc= -0.132 K(o=-0.13,f=-1.4) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 15 MET CE :methyl 166:sc= 0 (180deg=-0.513) USER MOD Single : A 17 CYS SG : rot -47:sc= -0.551 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 166:sc= 0.132 (180deg=-0.0636) USER MOD Single : A 31 MET CE :methyl 166:sc= 0 (180deg=-0.118) USER MOD Single : A 38 ASN : amide:sc= 0.624 K(o=0.62,f=-0.11) USER MOD Single : A 40 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 ASN : amide:sc= -0.507 K(o=-0.51,f=-4.6) USER MOD Single : A 55 THR OG1 : rot 180:sc=-0.00911 USER MOD Single : A 61 GLN : amide:sc= 1.13 K(o=1.1,f=-0.11) USER MOD Single : A 63 LYS NZ :NH3+ -169:sc= 1.17 (180deg=1.16) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 75 LYS NZ :NH3+ 170:sc=-0.00685 (180deg=-0.119) USER MOD Single : A 83 MET CE :methyl -177:sc= -0.547 (180deg=-0.562) USER MOD Single : A 90 ASN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 94 LYS NZ :NH3+ -163:sc= 2.44 (180deg=1.7) USER MOD Single : A 97 ASN : amide:sc= 0.831 K(o=0.83,f=-4.1!) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 ASN : amide:sc= 0.686 K(o=0.69,f=-0.9) USER MOD Single : A 115 THR OG1 : rot -77:sc= 0.943 USER MOD Single : A 118 TYR OH : rot 150:sc= 0 USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD Single : A 129 LYS NZ :NH3+ -179:sc= 0.233 (180deg=0.155) USER MOD Single : A 134 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 138 LYS NZ :NH3+ -150:sc= 1.23 (180deg=0.272) USER MOD Single : A 140 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 142 LYS NZ :NH3+ -148:sc= 1.2 (180deg=0.763) USER MOD ----------------------------------------------------------------- ATOM 65 N GLN A 5 1.192 -15.746 3.741 1.00 1.22 N ATOM 66 CA GLN A 5 0.195 -14.923 3.076 1.00 1.11 C ATOM 67 C GLN A 5 0.156 -13.599 3.823 1.00 1.13 C ATOM 68 O GLN A 5 0.542 -13.549 4.991 1.00 1.39 O ATOM 69 CB GLN A 5 -1.186 -15.594 3.115 1.00 1.09 C ATOM 70 CG GLN A 5 -1.204 -17.084 2.740 1.00 1.16 C ATOM 71 CD GLN A 5 -0.866 -17.391 1.277 1.00 1.44 C ATOM 72 OE1 GLN A 5 -1.667 -18.007 0.580 1.00 2.88 O ATOM 73 NE2 GLN A 5 0.300 -16.999 0.788 1.00 1.22 N ATOM 0 HA GLN A 5 0.453 -14.780 2.027 1.00 1.11 H new ATOM 0 HB2 GLN A 5 -1.597 -15.484 4.119 1.00 1.09 H new ATOM 0 HB3 GLN A 5 -1.851 -15.058 2.438 1.00 1.09 H new ATOM 0 HG2 GLN A 5 -0.496 -17.612 3.379 1.00 1.16 H new ATOM 0 HG3 GLN A 5 -2.193 -17.486 2.960 1.00 1.16 H new ATOM 0 HE21 GLN A 5 0.955 -16.488 1.379 1.00 1.22 H new ATOM 0 HE22 GLN A 5 0.543 -17.208 -0.180 1.00 1.22 H new ATOM 82 N LYS A 6 -0.314 -12.541 3.166 1.00 1.02 N ATOM 83 CA LYS A 6 -0.485 -11.249 3.800 1.00 1.00 C ATOM 84 C LYS A 6 -1.743 -10.584 3.263 1.00 0.88 C ATOM 85 O LYS A 6 -2.073 -10.725 2.081 1.00 0.97 O ATOM 86 CB LYS A 6 0.776 -10.398 3.593 1.00 1.12 C ATOM 87 CG LYS A 6 1.049 -10.052 2.122 1.00 1.26 C ATOM 88 CD LYS A 6 0.223 -8.845 1.646 1.00 1.40 C ATOM 89 CE LYS A 6 1.155 -7.765 1.102 1.00 1.32 C ATOM 90 NZ LYS A 6 0.438 -6.501 0.829 1.00 2.39 N ATOM 0 H LYS A 6 -0.584 -12.561 2.183 1.00 1.02 H new ATOM 0 HA LYS A 6 -0.615 -11.365 4.876 1.00 1.00 H new ATOM 0 HB2 LYS A 6 0.678 -9.474 4.163 1.00 1.12 H new ATOM 0 HB3 LYS A 6 1.635 -10.933 3.997 1.00 1.12 H new ATOM 0 HG2 LYS A 6 2.110 -9.838 1.992 1.00 1.26 H new ATOM 0 HG3 LYS A 6 0.819 -10.916 1.499 1.00 1.26 H new ATOM 0 HD2 LYS A 6 -0.480 -9.155 0.873 1.00 1.40 H new ATOM 0 HD3 LYS A 6 -0.367 -8.447 2.472 1.00 1.40 H new ATOM 0 HE2 LYS A 6 1.954 -7.581 1.820 1.00 1.32 H new ATOM 0 HE3 LYS A 6 1.626 -8.120 0.185 1.00 1.32 H new ATOM 0 HZ1 LYS A 6 1.123 -5.761 0.575 1.00 2.39 H new ATOM 0 HZ2 LYS A 6 -0.227 -6.642 0.042 1.00 2.39 H new ATOM 0 HZ3 LYS A 6 -0.087 -6.210 1.678 1.00 2.39 H new ATOM 104 N GLU A 7 -2.419 -9.850 4.140 1.00 0.91 N ATOM 105 CA GLU A 7 -3.573 -9.033 3.855 1.00 0.79 C ATOM 106 C GLU A 7 -3.123 -7.647 3.392 1.00 0.82 C ATOM 107 O GLU A 7 -2.058 -7.157 3.773 1.00 1.21 O ATOM 108 CB GLU A 7 -4.437 -8.923 5.124 1.00 0.81 C ATOM 109 CG GLU A 7 -4.691 -10.275 5.820 1.00 1.93 C ATOM 110 CD GLU A 7 -3.694 -10.603 6.931 1.00 2.07 C ATOM 111 OE1 GLU A 7 -2.491 -10.327 6.730 1.00 2.50 O ATOM 112 OE2 GLU A 7 -4.154 -11.138 7.962 1.00 2.84 O ATOM 0 H GLU A 7 -2.153 -9.813 5.124 1.00 0.91 H new ATOM 0 HA GLU A 7 -4.163 -9.488 3.059 1.00 0.79 H new ATOM 0 HB2 GLU A 7 -3.949 -8.248 5.828 1.00 0.81 H new ATOM 0 HB3 GLU A 7 -5.395 -8.473 4.863 1.00 0.81 H new ATOM 0 HG2 GLU A 7 -5.697 -10.272 6.239 1.00 1.93 H new ATOM 0 HG3 GLU A 7 -4.659 -11.068 5.073 1.00 1.93 H new ATOM 119 N ILE A 8 -3.942 -6.997 2.575 1.00 0.61 N ATOM 120 CA ILE A 8 -3.881 -5.566 2.329 1.00 0.62 C ATOM 121 C ILE A 8 -5.321 -5.093 2.179 1.00 0.59 C ATOM 122 O ILE A 8 -6.091 -5.730 1.459 1.00 0.64 O ATOM 123 CB ILE A 8 -3.003 -5.269 1.101 1.00 0.61 C ATOM 124 CG1 ILE A 8 -3.220 -3.893 0.454 1.00 0.98 C ATOM 125 CG2 ILE A 8 -3.111 -6.360 0.044 1.00 1.02 C ATOM 126 CD1 ILE A 8 -4.408 -3.784 -0.524 1.00 3.13 C ATOM 0 H ILE A 8 -4.684 -7.464 2.054 1.00 0.61 H new ATOM 0 HA ILE A 8 -3.411 -5.023 3.149 1.00 0.62 H new ATOM 0 HB ILE A 8 -1.993 -5.251 1.510 1.00 0.61 H new ATOM 0 HG12 ILE A 8 -3.360 -3.159 1.247 1.00 0.98 H new ATOM 0 HG13 ILE A 8 -2.310 -3.617 -0.079 1.00 0.98 H new ATOM 0 HG21 ILE A 8 -2.475 -6.109 -0.805 1.00 1.02 H new ATOM 0 HG22 ILE A 8 -2.790 -7.311 0.469 1.00 1.02 H new ATOM 0 HG23 ILE A 8 -4.145 -6.442 -0.290 1.00 1.02 H new ATOM 0 HD11 ILE A 8 -4.463 -2.769 -0.918 1.00 3.13 H new ATOM 0 HD12 ILE A 8 -4.268 -4.485 -1.346 1.00 3.13 H new ATOM 0 HD13 ILE A 8 -5.334 -4.020 0.000 1.00 3.13 H new ATOM 138 N ALA A 9 -5.672 -4.005 2.874 1.00 0.55 N ATOM 139 CA ALA A 9 -6.973 -3.359 2.826 1.00 0.50 C ATOM 140 C ALA A 9 -6.775 -1.965 2.247 1.00 0.49 C ATOM 141 O ALA A 9 -5.988 -1.200 2.801 1.00 0.60 O ATOM 142 CB ALA A 9 -7.541 -3.275 4.247 1.00 0.53 C ATOM 0 H ALA A 9 -5.025 -3.537 3.509 1.00 0.55 H new ATOM 0 HA ALA A 9 -7.672 -3.921 2.207 1.00 0.50 H new ATOM 0 HB1 ALA A 9 -8.517 -2.791 4.221 1.00 0.53 H new ATOM 0 HB2 ALA A 9 -7.645 -4.279 4.657 1.00 0.53 H new ATOM 0 HB3 ALA A 9 -6.865 -2.694 4.875 1.00 0.53 H new ATOM 148 N MET A 10 -7.423 -1.647 1.124 1.00 0.40 N ATOM 149 CA MET A 10 -7.315 -0.338 0.469 1.00 0.41 C ATOM 150 C MET A 10 -8.658 0.051 -0.157 1.00 0.36 C ATOM 151 O MET A 10 -9.548 -0.790 -0.233 1.00 0.38 O ATOM 152 CB MET A 10 -6.203 -0.373 -0.594 1.00 0.48 C ATOM 153 CG MET A 10 -4.806 -0.372 0.046 1.00 0.65 C ATOM 154 SD MET A 10 -3.390 -0.323 -1.081 1.00 1.30 S ATOM 155 CE MET A 10 -3.543 1.357 -1.695 1.00 2.01 C ATOM 0 H MET A 10 -8.043 -2.295 0.638 1.00 0.40 H new ATOM 0 HA MET A 10 -7.056 0.415 1.213 1.00 0.41 H new ATOM 0 HB2 MET A 10 -6.319 -1.262 -1.213 1.00 0.48 H new ATOM 0 HB3 MET A 10 -6.302 0.489 -1.253 1.00 0.48 H new ATOM 0 HG2 MET A 10 -4.739 0.487 0.713 1.00 0.65 H new ATOM 0 HG3 MET A 10 -4.716 -1.264 0.666 1.00 0.65 H new ATOM 0 HE1 MET A 10 -3.043 1.439 -2.660 1.00 2.01 H new ATOM 0 HE2 MET A 10 -4.598 1.608 -1.811 1.00 2.01 H new ATOM 0 HE3 MET A 10 -3.082 2.046 -0.988 1.00 2.01 H new ATOM 165 N GLN A 11 -8.819 1.299 -0.613 1.00 0.39 N ATOM 166 CA GLN A 11 -10.033 1.764 -1.274 1.00 0.38 C ATOM 167 C GLN A 11 -9.894 1.744 -2.797 1.00 0.43 C ATOM 168 O GLN A 11 -8.882 2.177 -3.352 1.00 0.57 O ATOM 169 CB GLN A 11 -10.413 3.169 -0.798 1.00 0.45 C ATOM 170 CG GLN A 11 -11.028 3.140 0.597 1.00 1.15 C ATOM 171 CD GLN A 11 -11.675 4.464 0.987 1.00 1.33 C ATOM 172 OE1 GLN A 11 -11.628 5.449 0.254 1.00 1.70 O ATOM 173 NE2 GLN A 11 -12.297 4.501 2.159 1.00 1.92 N ATOM 0 H GLN A 11 -8.100 2.018 -0.530 1.00 0.39 H new ATOM 0 HA GLN A 11 -10.830 1.073 -1.000 1.00 0.38 H new ATOM 0 HB2 GLN A 11 -9.527 3.804 -0.793 1.00 0.45 H new ATOM 0 HB3 GLN A 11 -11.120 3.613 -1.499 1.00 0.45 H new ATOM 0 HG2 GLN A 11 -11.776 2.348 0.643 1.00 1.15 H new ATOM 0 HG3 GLN A 11 -10.255 2.891 1.324 1.00 1.15 H new ATOM 0 HE21 GLN A 11 -12.322 3.670 2.750 1.00 1.92 H new ATOM 0 HE22 GLN A 11 -12.750 5.361 2.469 1.00 1.92 H new ATOM 182 N VAL A 12 -10.947 1.272 -3.470 1.00 0.38 N ATOM 183 CA VAL A 12 -11.060 1.161 -4.910 1.00 0.43 C ATOM 184 C VAL A 12 -12.309 1.924 -5.356 1.00 0.35 C ATOM 185 O VAL A 12 -13.280 1.991 -4.608 1.00 0.39 O ATOM 186 CB VAL A 12 -11.103 -0.331 -5.284 1.00 0.58 C ATOM 187 CG1 VAL A 12 -12.236 -1.080 -4.570 1.00 0.61 C ATOM 188 CG2 VAL A 12 -11.263 -0.521 -6.790 1.00 0.76 C ATOM 0 H VAL A 12 -11.784 0.942 -2.990 1.00 0.38 H new ATOM 0 HA VAL A 12 -10.205 1.601 -5.423 1.00 0.43 H new ATOM 0 HB VAL A 12 -10.150 -0.748 -4.959 1.00 0.58 H new ATOM 0 HG11 VAL A 12 -12.223 -2.128 -4.868 1.00 0.61 H new ATOM 0 HG12 VAL A 12 -12.097 -1.007 -3.491 1.00 0.61 H new ATOM 0 HG13 VAL A 12 -13.194 -0.637 -4.843 1.00 0.61 H new ATOM 0 HG21 VAL A 12 -11.290 -1.586 -7.022 1.00 0.76 H new ATOM 0 HG22 VAL A 12 -12.192 -0.055 -7.119 1.00 0.76 H new ATOM 0 HG23 VAL A 12 -10.422 -0.059 -7.306 1.00 0.76 H new ATOM 198 N SER A 13 -12.275 2.501 -6.559 1.00 0.41 N ATOM 199 CA SER A 13 -13.387 3.240 -7.147 1.00 0.42 C ATOM 200 C SER A 13 -14.046 2.425 -8.261 1.00 0.58 C ATOM 201 O SER A 13 -13.536 1.383 -8.662 1.00 0.84 O ATOM 202 CB SER A 13 -12.873 4.558 -7.725 1.00 0.54 C ATOM 203 OG SER A 13 -11.963 5.184 -6.842 1.00 0.73 O ATOM 0 H SER A 13 -11.454 2.465 -7.163 1.00 0.41 H new ATOM 0 HA SER A 13 -14.125 3.436 -6.369 1.00 0.42 H new ATOM 0 HB2 SER A 13 -12.386 4.373 -8.682 1.00 0.54 H new ATOM 0 HB3 SER A 13 -13.713 5.225 -7.919 1.00 0.54 H new ATOM 0 HG SER A 13 -11.649 6.024 -7.237 1.00 0.73 H new ATOM 209 N GLY A 14 -15.172 2.919 -8.787 1.00 0.58 N ATOM 210 CA GLY A 14 -15.958 2.217 -9.799 1.00 0.79 C ATOM 211 C GLY A 14 -16.676 1.000 -9.206 1.00 0.82 C ATOM 212 O GLY A 14 -17.156 0.124 -9.926 1.00 1.03 O ATOM 0 H GLY A 14 -15.563 3.822 -8.519 1.00 0.58 H new ATOM 0 HA2 GLY A 14 -16.691 2.899 -10.230 1.00 0.79 H new ATOM 0 HA3 GLY A 14 -15.305 1.896 -10.611 1.00 0.79 H new ATOM 216 N MET A 15 -16.778 0.962 -7.877 1.00 0.80 N ATOM 217 CA MET A 15 -17.461 -0.076 -7.121 1.00 0.97 C ATOM 218 C MET A 15 -18.980 0.107 -7.241 1.00 1.04 C ATOM 219 O MET A 15 -19.677 0.440 -6.288 1.00 1.37 O ATOM 220 CB MET A 15 -16.923 -0.026 -5.673 1.00 1.05 C ATOM 221 CG MET A 15 -16.188 -1.304 -5.261 1.00 1.33 C ATOM 222 SD MET A 15 -17.114 -2.451 -4.220 1.00 2.29 S ATOM 223 CE MET A 15 -18.614 -2.706 -5.189 1.00 3.88 C ATOM 0 H MET A 15 -16.371 1.682 -7.280 1.00 0.80 H new ATOM 0 HA MET A 15 -17.263 -1.074 -7.512 1.00 0.97 H new ATOM 0 HB2 MET A 15 -16.247 0.823 -5.572 1.00 1.05 H new ATOM 0 HB3 MET A 15 -17.754 0.145 -4.989 1.00 1.05 H new ATOM 0 HG2 MET A 15 -15.883 -1.831 -6.165 1.00 1.33 H new ATOM 0 HG3 MET A 15 -15.277 -1.021 -4.734 1.00 1.33 H new ATOM 0 HE1 MET A 15 -19.157 -3.567 -4.799 1.00 3.88 H new ATOM 0 HE2 MET A 15 -19.245 -1.819 -5.123 1.00 3.88 H new ATOM 0 HE3 MET A 15 -18.348 -2.886 -6.231 1.00 3.88 H new ATOM 233 N THR A 16 -19.510 -0.170 -8.431 1.00 0.92 N ATOM 234 CA THR A 16 -20.932 -0.066 -8.732 1.00 0.99 C ATOM 235 C THR A 16 -21.773 -1.004 -7.858 1.00 1.03 C ATOM 236 O THR A 16 -22.968 -0.779 -7.695 1.00 1.15 O ATOM 237 CB THR A 16 -21.141 -0.352 -10.228 1.00 1.10 C ATOM 238 OG1 THR A 16 -20.100 0.266 -10.959 1.00 1.18 O ATOM 239 CG2 THR A 16 -22.484 0.181 -10.736 1.00 1.24 C ATOM 0 H THR A 16 -18.951 -0.479 -9.226 1.00 0.92 H new ATOM 0 HA THR A 16 -21.271 0.945 -8.504 1.00 0.99 H new ATOM 0 HB THR A 16 -21.136 -1.433 -10.367 1.00 1.10 H new ATOM 0 HG1 THR A 16 -19.582 -0.418 -11.433 1.00 1.18 H new ATOM 0 HG21 THR A 16 -22.587 -0.044 -11.797 1.00 1.24 H new ATOM 0 HG22 THR A 16 -23.296 -0.293 -10.184 1.00 1.24 H new ATOM 0 HG23 THR A 16 -22.526 1.260 -10.588 1.00 1.24 H new ATOM 247 N CYS A 17 -21.168 -2.082 -7.338 1.00 1.05 N ATOM 248 CA CYS A 17 -21.874 -3.101 -6.555 1.00 1.29 C ATOM 249 C CYS A 17 -22.874 -3.830 -7.453 1.00 1.46 C ATOM 250 O CYS A 17 -23.997 -4.156 -7.081 1.00 2.72 O ATOM 251 CB CYS A 17 -22.502 -2.524 -5.276 1.00 2.48 C ATOM 252 SG CYS A 17 -23.143 -3.880 -4.259 1.00 3.41 S ATOM 0 H CYS A 17 -20.172 -2.270 -7.450 1.00 1.05 H new ATOM 0 HA CYS A 17 -21.154 -3.837 -6.196 1.00 1.29 H new ATOM 0 HB2 CYS A 17 -21.759 -1.955 -4.717 1.00 2.48 H new ATOM 0 HB3 CYS A 17 -23.306 -1.834 -5.531 1.00 2.48 H new ATOM 0 HG CYS A 17 -23.828 -4.695 -5.005 1.00 3.41 H new ATOM 258 N ALA A 18 -22.411 -4.102 -8.670 1.00 2.05 N ATOM 259 CA ALA A 18 -23.076 -4.909 -9.667 1.00 3.08 C ATOM 260 C ALA A 18 -21.937 -5.486 -10.492 1.00 2.70 C ATOM 261 O ALA A 18 -21.430 -4.821 -11.388 1.00 4.04 O ATOM 262 CB ALA A 18 -24.019 -4.040 -10.502 1.00 4.32 C ATOM 0 H ALA A 18 -21.514 -3.742 -8.996 1.00 2.05 H new ATOM 0 HA ALA A 18 -23.702 -5.697 -9.247 1.00 3.08 H new ATOM 0 HB1 ALA A 18 -24.515 -4.657 -11.251 1.00 4.32 H new ATOM 0 HB2 ALA A 18 -24.767 -3.586 -9.852 1.00 4.32 H new ATOM 0 HB3 ALA A 18 -23.447 -3.256 -10.999 1.00 4.32 H new ATOM 268 N ALA A 19 -21.443 -6.661 -10.096 1.00 1.21 N ATOM 269 CA ALA A 19 -20.385 -7.396 -10.782 1.00 0.90 C ATOM 270 C ALA A 19 -18.989 -6.768 -10.700 1.00 0.67 C ATOM 271 O ALA A 19 -18.019 -7.496 -10.872 1.00 0.64 O ATOM 272 CB ALA A 19 -20.755 -7.634 -12.246 1.00 1.43 C ATOM 0 H ALA A 19 -21.781 -7.140 -9.262 1.00 1.21 H new ATOM 0 HA ALA A 19 -20.315 -8.340 -10.241 1.00 0.90 H new ATOM 0 HB1 ALA A 19 -19.953 -8.183 -12.739 1.00 1.43 H new ATOM 0 HB2 ALA A 19 -21.677 -8.213 -12.299 1.00 1.43 H new ATOM 0 HB3 ALA A 19 -20.899 -6.676 -12.745 1.00 1.43 H new ATOM 278 N CYS A 20 -18.853 -5.456 -10.470 1.00 0.60 N ATOM 279 CA CYS A 20 -17.606 -4.722 -10.620 1.00 0.56 C ATOM 280 C CYS A 20 -16.554 -5.358 -9.736 1.00 0.50 C ATOM 281 O CYS A 20 -15.580 -5.943 -10.206 1.00 0.55 O ATOM 282 CB CYS A 20 -17.820 -3.249 -10.228 1.00 0.58 C ATOM 283 SG CYS A 20 -18.604 -2.369 -11.596 1.00 0.74 S ATOM 0 H CYS A 20 -19.630 -4.868 -10.168 1.00 0.60 H new ATOM 0 HA CYS A 20 -17.274 -4.758 -11.658 1.00 0.56 H new ATOM 0 HB2 CYS A 20 -18.444 -3.186 -9.336 1.00 0.58 H new ATOM 0 HB3 CYS A 20 -16.865 -2.785 -9.983 1.00 0.58 H new ATOM 0 HG CYS A 20 -17.725 -1.618 -12.189 1.00 0.74 H new ATOM 289 N ALA A 21 -16.801 -5.287 -8.431 1.00 0.50 N ATOM 290 CA ALA A 21 -15.888 -5.849 -7.468 1.00 0.66 C ATOM 291 C ALA A 21 -15.727 -7.344 -7.694 1.00 0.54 C ATOM 292 O ALA A 21 -14.612 -7.841 -7.717 1.00 0.49 O ATOM 293 CB ALA A 21 -16.346 -5.529 -6.056 1.00 1.01 C ATOM 0 H ALA A 21 -17.627 -4.845 -8.027 1.00 0.50 H new ATOM 0 HA ALA A 21 -14.906 -5.396 -7.602 1.00 0.66 H new ATOM 0 HB1 ALA A 21 -15.646 -5.960 -5.340 1.00 1.01 H new ATOM 0 HB2 ALA A 21 -16.383 -4.448 -5.922 1.00 1.01 H new ATOM 0 HB3 ALA A 21 -17.338 -5.949 -5.891 1.00 1.01 H new ATOM 299 N ALA A 22 -16.830 -8.064 -7.918 1.00 0.58 N ATOM 300 CA ALA A 22 -16.756 -9.505 -8.128 1.00 0.62 C ATOM 301 C ALA A 22 -15.788 -9.841 -9.266 1.00 0.55 C ATOM 302 O ALA A 22 -14.985 -10.763 -9.145 1.00 0.58 O ATOM 303 CB ALA A 22 -18.149 -10.075 -8.399 1.00 0.77 C ATOM 0 H ALA A 22 -17.772 -7.675 -7.958 1.00 0.58 H new ATOM 0 HA ALA A 22 -16.371 -9.968 -7.220 1.00 0.62 H new ATOM 0 HB1 ALA A 22 -18.078 -11.152 -8.554 1.00 0.77 H new ATOM 0 HB2 ALA A 22 -18.797 -9.873 -7.546 1.00 0.77 H new ATOM 0 HB3 ALA A 22 -18.566 -9.607 -9.291 1.00 0.77 H new ATOM 309 N ARG A 23 -15.841 -9.082 -10.362 1.00 0.54 N ATOM 310 CA ARG A 23 -14.938 -9.239 -11.486 1.00 0.58 C ATOM 311 C ARG A 23 -13.506 -8.971 -11.058 1.00 0.51 C ATOM 312 O ARG A 23 -12.615 -9.710 -11.472 1.00 0.54 O ATOM 313 CB ARG A 23 -15.328 -8.307 -12.642 1.00 0.69 C ATOM 314 CG ARG A 23 -16.279 -8.995 -13.622 1.00 0.82 C ATOM 315 CD ARG A 23 -15.583 -10.173 -14.333 1.00 0.96 C ATOM 316 NE ARG A 23 -15.778 -10.119 -15.794 1.00 1.14 N ATOM 317 CZ ARG A 23 -15.116 -9.305 -16.637 1.00 1.50 C ATOM 318 NH1 ARG A 23 -14.191 -8.464 -16.163 1.00 3.02 N ATOM 319 NH2 ARG A 23 -15.385 -9.332 -17.948 1.00 1.47 N ATOM 0 H ARG A 23 -16.523 -8.334 -10.488 1.00 0.54 H new ATOM 0 HA ARG A 23 -15.015 -10.268 -11.837 1.00 0.58 H new ATOM 0 HB2 ARG A 23 -15.802 -7.410 -12.243 1.00 0.69 H new ATOM 0 HB3 ARG A 23 -14.430 -7.986 -13.170 1.00 0.69 H new ATOM 0 HG2 ARG A 23 -17.158 -9.356 -13.088 1.00 0.82 H new ATOM 0 HG3 ARG A 23 -16.629 -8.275 -14.362 1.00 0.82 H new ATOM 0 HD2 ARG A 23 -14.517 -10.156 -14.107 1.00 0.96 H new ATOM 0 HD3 ARG A 23 -15.976 -11.114 -13.948 1.00 0.96 H new ATOM 0 HE ARG A 23 -16.470 -10.749 -16.198 1.00 1.14 H new ATOM 0 HH11 ARG A 23 -13.988 -8.440 -15.164 1.00 3.02 H new ATOM 0 HH12 ARG A 23 -13.688 -7.847 -16.801 1.00 3.02 H new ATOM 0 HH21 ARG A 23 -16.093 -9.971 -18.310 1.00 1.47 H new ATOM 0 HH22 ARG A 23 -14.882 -8.714 -18.585 1.00 1.47 H new ATOM 333 N ILE A 24 -13.278 -7.924 -10.264 1.00 0.47 N ATOM 334 CA ILE A 24 -11.964 -7.656 -9.721 1.00 0.47 C ATOM 335 C ILE A 24 -11.532 -8.869 -8.902 1.00 0.43 C ATOM 336 O ILE A 24 -10.619 -9.569 -9.322 1.00 0.53 O ATOM 337 CB ILE A 24 -11.955 -6.330 -8.945 1.00 0.50 C ATOM 338 CG1 ILE A 24 -12.339 -5.166 -9.879 1.00 0.64 C ATOM 339 CG2 ILE A 24 -10.576 -6.065 -8.355 1.00 0.63 C ATOM 340 CD1 ILE A 24 -12.625 -3.873 -9.118 1.00 0.50 C ATOM 0 H ILE A 24 -13.994 -7.252 -9.988 1.00 0.47 H new ATOM 0 HA ILE A 24 -11.228 -7.517 -10.513 1.00 0.47 H new ATOM 0 HB ILE A 24 -12.682 -6.404 -8.136 1.00 0.50 H new ATOM 0 HG12 ILE A 24 -11.531 -4.994 -10.590 1.00 0.64 H new ATOM 0 HG13 ILE A 24 -13.219 -5.445 -10.458 1.00 0.64 H new ATOM 0 HG21 ILE A 24 -10.589 -5.122 -7.809 1.00 0.63 H new ATOM 0 HG22 ILE A 24 -10.310 -6.874 -7.675 1.00 0.63 H new ATOM 0 HG23 ILE A 24 -9.841 -6.009 -9.158 1.00 0.63 H new ATOM 0 HD11 ILE A 24 -12.890 -3.086 -9.824 1.00 0.50 H new ATOM 0 HD12 ILE A 24 -13.452 -4.033 -8.426 1.00 0.50 H new ATOM 0 HD13 ILE A 24 -11.737 -3.575 -8.560 1.00 0.50 H new ATOM 352 N GLU A 25 -12.202 -9.181 -7.792 1.00 0.46 N ATOM 353 CA GLU A 25 -11.793 -10.247 -6.899 1.00 0.56 C ATOM 354 C GLU A 25 -11.570 -11.553 -7.664 1.00 0.52 C ATOM 355 O GLU A 25 -10.572 -12.233 -7.447 1.00 0.51 O ATOM 356 CB GLU A 25 -12.828 -10.402 -5.774 1.00 0.78 C ATOM 357 CG GLU A 25 -13.113 -9.094 -5.014 1.00 0.83 C ATOM 358 CD GLU A 25 -11.870 -8.267 -4.713 1.00 2.78 C ATOM 359 OE1 GLU A 25 -11.086 -8.718 -3.852 1.00 3.53 O ATOM 360 OE2 GLU A 25 -11.718 -7.214 -5.369 1.00 4.03 O ATOM 0 H GLU A 25 -13.047 -8.694 -7.492 1.00 0.46 H new ATOM 0 HA GLU A 25 -10.836 -9.988 -6.446 1.00 0.56 H new ATOM 0 HB2 GLU A 25 -13.760 -10.776 -6.198 1.00 0.78 H new ATOM 0 HB3 GLU A 25 -12.475 -11.153 -5.068 1.00 0.78 H new ATOM 0 HG2 GLU A 25 -13.806 -8.489 -5.600 1.00 0.83 H new ATOM 0 HG3 GLU A 25 -13.613 -9.333 -4.076 1.00 0.83 H new ATOM 367 N LYS A 26 -12.470 -11.890 -8.592 1.00 0.57 N ATOM 368 CA LYS A 26 -12.377 -13.078 -9.416 1.00 0.63 C ATOM 369 C LYS A 26 -11.176 -13.022 -10.366 1.00 0.59 C ATOM 370 O LYS A 26 -10.452 -14.006 -10.507 1.00 0.68 O ATOM 371 CB LYS A 26 -13.717 -13.257 -10.136 1.00 0.79 C ATOM 372 CG LYS A 26 -13.766 -14.557 -10.932 1.00 0.93 C ATOM 373 CD LYS A 26 -15.221 -14.923 -11.273 1.00 1.54 C ATOM 374 CE LYS A 26 -15.498 -15.029 -12.777 1.00 1.33 C ATOM 375 NZ LYS A 26 -14.851 -16.209 -13.385 1.00 2.25 N ATOM 0 H LYS A 26 -13.297 -11.327 -8.788 1.00 0.57 H new ATOM 0 HA LYS A 26 -12.193 -13.956 -8.797 1.00 0.63 H new ATOM 0 HB2 LYS A 26 -14.526 -13.248 -9.405 1.00 0.79 H new ATOM 0 HB3 LYS A 26 -13.884 -12.414 -10.807 1.00 0.79 H new ATOM 0 HG2 LYS A 26 -13.186 -14.451 -11.849 1.00 0.93 H new ATOM 0 HG3 LYS A 26 -13.308 -15.361 -10.356 1.00 0.93 H new ATOM 0 HD2 LYS A 26 -15.467 -15.874 -10.800 1.00 1.54 H new ATOM 0 HD3 LYS A 26 -15.885 -14.173 -10.843 1.00 1.54 H new ATOM 0 HE2 LYS A 26 -16.574 -15.082 -12.943 1.00 1.33 H new ATOM 0 HE3 LYS A 26 -15.143 -14.126 -13.274 1.00 1.33 H new ATOM 0 HZ1 LYS A 26 -15.067 -16.238 -14.402 1.00 2.25 H new ATOM 0 HZ2 LYS A 26 -13.821 -16.148 -13.251 1.00 2.25 H new ATOM 0 HZ3 LYS A 26 -15.208 -17.074 -12.931 1.00 2.25 H new ATOM 389 N GLY A 27 -10.966 -11.888 -11.035 1.00 0.54 N ATOM 390 CA GLY A 27 -9.829 -11.687 -11.919 1.00 0.61 C ATOM 391 C GLY A 27 -8.524 -11.798 -11.135 1.00 0.57 C ATOM 392 O GLY A 27 -7.588 -12.468 -11.557 1.00 0.65 O ATOM 0 H GLY A 27 -11.587 -11.081 -10.975 1.00 0.54 H new ATOM 0 HA2 GLY A 27 -9.845 -12.428 -12.718 1.00 0.61 H new ATOM 0 HA3 GLY A 27 -9.895 -10.707 -12.391 1.00 0.61 H new ATOM 396 N LEU A 28 -8.461 -11.165 -9.969 1.00 0.53 N ATOM 397 CA LEU A 28 -7.315 -11.237 -9.086 1.00 0.54 C ATOM 398 C LEU A 28 -7.115 -12.677 -8.605 1.00 0.52 C ATOM 399 O LEU A 28 -5.984 -13.156 -8.604 1.00 0.53 O ATOM 400 CB LEU A 28 -7.479 -10.233 -7.928 1.00 0.58 C ATOM 401 CG LEU A 28 -7.029 -8.790 -8.243 1.00 0.68 C ATOM 402 CD1 LEU A 28 -5.508 -8.716 -8.389 1.00 1.57 C ATOM 403 CD2 LEU A 28 -7.709 -8.155 -9.457 1.00 1.70 C ATOM 0 H LEU A 28 -9.217 -10.581 -9.611 1.00 0.53 H new ATOM 0 HA LEU A 28 -6.410 -10.955 -9.624 1.00 0.54 H new ATOM 0 HB2 LEU A 28 -8.527 -10.213 -7.631 1.00 0.58 H new ATOM 0 HB3 LEU A 28 -6.911 -10.595 -7.071 1.00 0.58 H new ATOM 0 HG LEU A 28 -7.352 -8.200 -7.385 1.00 0.68 H new ATOM 0 HD11 LEU A 28 -5.213 -7.690 -8.611 1.00 1.57 H new ATOM 0 HD12 LEU A 28 -5.037 -9.036 -7.459 1.00 1.57 H new ATOM 0 HD13 LEU A 28 -5.188 -9.369 -9.201 1.00 1.57 H new ATOM 0 HD21 LEU A 28 -7.329 -7.143 -9.599 1.00 1.70 H new ATOM 0 HD22 LEU A 28 -7.497 -8.750 -10.345 1.00 1.70 H new ATOM 0 HD23 LEU A 28 -8.786 -8.118 -9.293 1.00 1.70 H new ATOM 415 N LYS A 29 -8.192 -13.403 -8.277 1.00 0.52 N ATOM 416 CA LYS A 29 -8.118 -14.823 -7.929 1.00 0.57 C ATOM 417 C LYS A 29 -7.433 -15.652 -9.028 1.00 0.61 C ATOM 418 O LYS A 29 -6.950 -16.747 -8.757 1.00 0.67 O ATOM 419 CB LYS A 29 -9.512 -15.397 -7.598 1.00 0.64 C ATOM 420 CG LYS A 29 -9.455 -16.462 -6.484 1.00 0.92 C ATOM 421 CD LYS A 29 -9.750 -15.865 -5.094 1.00 1.11 C ATOM 422 CE LYS A 29 -11.262 -15.864 -4.805 1.00 1.11 C ATOM 423 NZ LYS A 29 -11.637 -15.093 -3.597 1.00 1.75 N ATOM 0 H LYS A 29 -9.137 -13.020 -8.246 1.00 0.52 H new ATOM 0 HA LYS A 29 -7.501 -14.895 -7.033 1.00 0.57 H new ATOM 0 HB2 LYS A 29 -10.173 -14.587 -7.290 1.00 0.64 H new ATOM 0 HB3 LYS A 29 -9.945 -15.837 -8.497 1.00 0.64 H new ATOM 0 HG2 LYS A 29 -10.176 -17.250 -6.700 1.00 0.92 H new ATOM 0 HG3 LYS A 29 -8.469 -16.926 -6.477 1.00 0.92 H new ATOM 0 HD2 LYS A 29 -9.230 -16.441 -4.329 1.00 1.11 H new ATOM 0 HD3 LYS A 29 -9.365 -14.846 -5.042 1.00 1.11 H new ATOM 0 HE2 LYS A 29 -11.787 -15.451 -5.666 1.00 1.11 H new ATOM 0 HE3 LYS A 29 -11.601 -16.893 -4.688 1.00 1.11 H new ATOM 0 HZ1 LYS A 29 -12.665 -14.934 -3.592 1.00 1.75 H new ATOM 0 HZ2 LYS A 29 -11.365 -15.626 -2.747 1.00 1.75 H new ATOM 0 HZ3 LYS A 29 -11.145 -14.177 -3.603 1.00 1.75 H new ATOM 437 N ARG A 30 -7.389 -15.152 -10.270 1.00 0.62 N ATOM 438 CA ARG A 30 -6.676 -15.802 -11.359 1.00 0.69 C ATOM 439 C ARG A 30 -5.166 -15.874 -11.083 1.00 0.69 C ATOM 440 O ARG A 30 -4.496 -16.769 -11.593 1.00 0.75 O ATOM 441 CB ARG A 30 -6.954 -15.050 -12.671 1.00 0.77 C ATOM 442 CG ARG A 30 -6.871 -15.966 -13.899 1.00 0.91 C ATOM 443 CD ARG A 30 -8.212 -16.692 -14.111 1.00 1.58 C ATOM 444 NE ARG A 30 -8.077 -17.878 -14.975 1.00 2.24 N ATOM 445 CZ ARG A 30 -8.010 -17.880 -16.317 1.00 2.22 C ATOM 446 NH1 ARG A 30 -7.968 -16.723 -16.986 1.00 2.58 N ATOM 447 NH2 ARG A 30 -7.990 -19.041 -16.982 1.00 2.96 N ATOM 0 H ARG A 30 -7.850 -14.283 -10.540 1.00 0.62 H new ATOM 0 HA ARG A 30 -7.036 -16.827 -11.445 1.00 0.69 H new ATOM 0 HB2 ARG A 30 -7.945 -14.598 -12.625 1.00 0.77 H new ATOM 0 HB3 ARG A 30 -6.237 -14.236 -12.779 1.00 0.77 H new ATOM 0 HG2 ARG A 30 -6.623 -15.379 -14.783 1.00 0.91 H new ATOM 0 HG3 ARG A 30 -6.072 -16.695 -13.765 1.00 0.91 H new ATOM 0 HD2 ARG A 30 -8.616 -16.994 -13.145 1.00 1.58 H new ATOM 0 HD3 ARG A 30 -8.930 -16.002 -14.555 1.00 1.58 H new ATOM 0 HE ARG A 30 -8.030 -18.784 -14.510 1.00 2.24 H new ATOM 0 HH11 ARG A 30 -7.987 -15.839 -16.478 1.00 2.58 H new ATOM 0 HH12 ARG A 30 -7.917 -16.724 -18.005 1.00 2.58 H new ATOM 0 HH21 ARG A 30 -8.026 -19.923 -16.470 1.00 2.96 H new ATOM 0 HH22 ARG A 30 -7.939 -19.044 -18.001 1.00 2.96 H new ATOM 461 N MET A 31 -4.614 -14.918 -10.329 1.00 0.68 N ATOM 462 CA MET A 31 -3.193 -14.885 -10.014 1.00 0.71 C ATOM 463 C MET A 31 -2.854 -16.002 -9.027 1.00 0.71 C ATOM 464 O MET A 31 -3.434 -16.023 -7.939 1.00 0.79 O ATOM 465 CB MET A 31 -2.795 -13.509 -9.462 1.00 0.71 C ATOM 466 CG MET A 31 -3.001 -12.363 -10.468 1.00 0.81 C ATOM 467 SD MET A 31 -1.491 -11.622 -11.155 1.00 1.18 S ATOM 468 CE MET A 31 -0.822 -12.999 -12.108 1.00 1.54 C ATOM 0 H MET A 31 -5.145 -14.148 -9.923 1.00 0.68 H new ATOM 0 HA MET A 31 -2.620 -15.050 -10.927 1.00 0.71 H new ATOM 0 HB2 MET A 31 -3.378 -13.304 -8.564 1.00 0.71 H new ATOM 0 HB3 MET A 31 -1.747 -13.535 -9.162 1.00 0.71 H new ATOM 0 HG2 MET A 31 -3.607 -12.736 -11.294 1.00 0.81 H new ATOM 0 HG3 MET A 31 -3.577 -11.577 -9.980 1.00 0.81 H new ATOM 0 HE1 MET A 31 -0.044 -12.634 -12.778 1.00 1.54 H new ATOM 0 HE2 MET A 31 -0.398 -13.739 -11.429 1.00 1.54 H new ATOM 0 HE3 MET A 31 -1.619 -13.458 -12.693 1.00 1.54 H new ATOM 478 N PRO A 32 -1.918 -16.911 -9.369 1.00 0.99 N ATOM 479 CA PRO A 32 -1.482 -17.971 -8.479 1.00 0.97 C ATOM 480 C PRO A 32 -0.655 -17.338 -7.362 1.00 1.34 C ATOM 481 O PRO A 32 0.564 -17.348 -7.402 1.00 3.14 O ATOM 482 CB PRO A 32 -0.665 -18.929 -9.352 1.00 1.48 C ATOM 483 CG PRO A 32 -0.041 -17.996 -10.386 1.00 1.84 C ATOM 484 CD PRO A 32 -1.127 -16.938 -10.593 1.00 1.46 C ATOM 0 HA PRO A 32 -2.297 -18.518 -8.004 1.00 0.97 H new ATOM 0 HB2 PRO A 32 0.093 -19.456 -8.773 1.00 1.48 H new ATOM 0 HB3 PRO A 32 -1.294 -19.687 -9.819 1.00 1.48 H new ATOM 0 HG2 PRO A 32 0.888 -17.556 -10.024 1.00 1.84 H new ATOM 0 HG3 PRO A 32 0.194 -18.520 -11.313 1.00 1.84 H new ATOM 0 HD2 PRO A 32 -0.685 -15.962 -10.790 1.00 1.46 H new ATOM 0 HD3 PRO A 32 -1.750 -17.185 -11.452 1.00 1.46 H new ATOM 492 N GLY A 33 -1.352 -16.734 -6.406 1.00 1.06 N ATOM 493 CA GLY A 33 -0.807 -16.106 -5.214 1.00 0.92 C ATOM 494 C GLY A 33 -1.950 -15.591 -4.344 1.00 0.73 C ATOM 495 O GLY A 33 -1.869 -15.646 -3.122 1.00 0.73 O ATOM 0 H GLY A 33 -2.369 -16.667 -6.447 1.00 1.06 H new ATOM 0 HA2 GLY A 33 -0.205 -16.822 -4.655 1.00 0.92 H new ATOM 0 HA3 GLY A 33 -0.148 -15.284 -5.492 1.00 0.92 H new ATOM 499 N VAL A 34 -3.026 -15.079 -4.956 1.00 0.68 N ATOM 500 CA VAL A 34 -4.239 -14.724 -4.230 1.00 0.57 C ATOM 501 C VAL A 34 -4.787 -15.918 -3.448 1.00 0.60 C ATOM 502 O VAL A 34 -5.205 -16.917 -4.028 1.00 0.76 O ATOM 503 CB VAL A 34 -5.256 -14.080 -5.184 1.00 0.65 C ATOM 504 CG1 VAL A 34 -6.625 -13.892 -4.519 1.00 1.45 C ATOM 505 CG2 VAL A 34 -4.744 -12.699 -5.616 1.00 1.06 C ATOM 0 H VAL A 34 -3.074 -14.903 -5.959 1.00 0.68 H new ATOM 0 HA VAL A 34 -4.005 -13.973 -3.476 1.00 0.57 H new ATOM 0 HB VAL A 34 -5.370 -14.747 -6.039 1.00 0.65 H new ATOM 0 HG11 VAL A 34 -7.314 -13.434 -5.228 1.00 1.45 H new ATOM 0 HG12 VAL A 34 -7.015 -14.861 -4.209 1.00 1.45 H new ATOM 0 HG13 VAL A 34 -6.520 -13.247 -3.647 1.00 1.45 H new ATOM 0 HG21 VAL A 34 -5.464 -12.240 -6.293 1.00 1.06 H new ATOM 0 HG22 VAL A 34 -4.618 -12.067 -4.737 1.00 1.06 H new ATOM 0 HG23 VAL A 34 -3.786 -12.809 -6.125 1.00 1.06 H new ATOM 515 N THR A 35 -4.813 -15.764 -2.125 1.00 0.55 N ATOM 516 CA THR A 35 -5.354 -16.709 -1.179 1.00 0.57 C ATOM 517 C THR A 35 -6.855 -16.465 -1.127 1.00 0.64 C ATOM 518 O THR A 35 -7.647 -17.383 -1.338 1.00 0.72 O ATOM 519 CB THR A 35 -4.733 -16.427 0.196 1.00 0.66 C ATOM 520 OG1 THR A 35 -3.377 -16.061 0.074 1.00 1.02 O ATOM 521 CG2 THR A 35 -4.883 -17.631 1.128 1.00 0.68 C ATOM 0 H THR A 35 -4.436 -14.931 -1.672 1.00 0.55 H new ATOM 0 HA THR A 35 -5.141 -17.740 -1.462 1.00 0.57 H new ATOM 0 HB THR A 35 -5.274 -15.589 0.636 1.00 0.66 H new ATOM 0 HG1 THR A 35 -2.837 -16.859 -0.104 1.00 1.02 H new ATOM 0 HG21 THR A 35 -4.434 -17.401 2.094 1.00 0.68 H new ATOM 0 HG22 THR A 35 -5.941 -17.856 1.264 1.00 0.68 H new ATOM 0 HG23 THR A 35 -4.381 -18.494 0.691 1.00 0.68 H new ATOM 529 N ASP A 36 -7.240 -15.206 -0.879 1.00 0.63 N ATOM 530 CA ASP A 36 -8.619 -14.778 -0.983 1.00 0.74 C ATOM 531 C ASP A 36 -8.666 -13.302 -1.364 1.00 0.66 C ATOM 532 O ASP A 36 -7.655 -12.602 -1.332 1.00 1.08 O ATOM 533 CB ASP A 36 -9.404 -15.089 0.304 1.00 0.96 C ATOM 534 CG ASP A 36 -10.906 -14.981 0.079 1.00 1.17 C ATOM 535 OD1 ASP A 36 -11.307 -14.991 -1.108 1.00 1.98 O ATOM 536 OD2 ASP A 36 -11.644 -14.816 1.071 1.00 1.69 O ATOM 0 H ASP A 36 -6.596 -14.465 -0.602 1.00 0.63 H new ATOM 0 HA ASP A 36 -9.114 -15.343 -1.773 1.00 0.74 H new ATOM 0 HB2 ASP A 36 -9.158 -16.093 0.648 1.00 0.96 H new ATOM 0 HB3 ASP A 36 -9.102 -14.399 1.092 1.00 0.96 H new ATOM 541 N ALA A 37 -9.836 -12.850 -1.793 1.00 0.74 N ATOM 542 CA ALA A 37 -10.052 -11.554 -2.401 1.00 0.64 C ATOM 543 C ALA A 37 -11.455 -11.131 -1.988 1.00 0.62 C ATOM 544 O ALA A 37 -12.415 -11.849 -2.288 1.00 0.73 O ATOM 545 CB ALA A 37 -9.864 -11.701 -3.915 1.00 0.72 C ATOM 0 H ALA A 37 -10.691 -13.401 -1.722 1.00 0.74 H new ATOM 0 HA ALA A 37 -9.350 -10.784 -2.081 1.00 0.64 H new ATOM 0 HB1 ALA A 37 -10.022 -10.736 -4.397 1.00 0.72 H new ATOM 0 HB2 ALA A 37 -8.853 -12.050 -4.124 1.00 0.72 H new ATOM 0 HB3 ALA A 37 -10.584 -12.422 -4.303 1.00 0.72 H new ATOM 551 N ASN A 38 -11.561 -10.078 -1.172 1.00 0.52 N ATOM 552 CA ASN A 38 -12.795 -9.652 -0.532 1.00 0.54 C ATOM 553 C ASN A 38 -12.941 -8.144 -0.715 1.00 0.51 C ATOM 554 O ASN A 38 -11.978 -7.440 -1.003 1.00 0.45 O ATOM 555 CB ASN A 38 -12.773 -9.975 0.972 1.00 0.54 C ATOM 556 CG ASN A 38 -12.397 -11.407 1.353 1.00 0.74 C ATOM 557 OD1 ASN A 38 -11.816 -11.613 2.413 1.00 2.02 O ATOM 558 ND2 ASN A 38 -12.721 -12.400 0.532 1.00 1.17 N ATOM 0 H ASN A 38 -10.764 -9.486 -0.936 1.00 0.52 H new ATOM 0 HA ASN A 38 -13.632 -10.181 -0.987 1.00 0.54 H new ATOM 0 HB2 ASN A 38 -12.071 -9.297 1.457 1.00 0.54 H new ATOM 0 HB3 ASN A 38 -13.760 -9.760 1.382 1.00 0.54 H new ATOM 0 HD21 ASN A 38 -12.487 -13.362 0.778 1.00 1.17 H new ATOM 0 HD22 ASN A 38 -13.204 -12.201 -0.344 1.00 1.17 H new ATOM 565 N VAL A 39 -14.152 -7.626 -0.515 1.00 0.70 N ATOM 566 CA VAL A 39 -14.465 -6.234 -0.771 1.00 0.62 C ATOM 567 C VAL A 39 -15.601 -5.797 0.145 1.00 0.80 C ATOM 568 O VAL A 39 -16.768 -6.132 -0.061 1.00 1.04 O ATOM 569 CB VAL A 39 -14.733 -6.037 -2.274 1.00 0.85 C ATOM 570 CG1 VAL A 39 -15.932 -6.862 -2.774 1.00 1.33 C ATOM 571 CG2 VAL A 39 -14.888 -4.545 -2.592 1.00 0.71 C ATOM 0 H VAL A 39 -14.943 -8.169 -0.169 1.00 0.70 H new ATOM 0 HA VAL A 39 -13.624 -5.582 -0.534 1.00 0.62 H new ATOM 0 HB VAL A 39 -13.868 -6.416 -2.818 1.00 0.85 H new ATOM 0 HG11 VAL A 39 -16.076 -6.685 -3.840 1.00 1.33 H new ATOM 0 HG12 VAL A 39 -15.741 -7.922 -2.604 1.00 1.33 H new ATOM 0 HG13 VAL A 39 -16.830 -6.564 -2.232 1.00 1.33 H new ATOM 0 HG21 VAL A 39 -15.077 -4.418 -3.658 1.00 0.71 H new ATOM 0 HG22 VAL A 39 -15.724 -4.137 -2.024 1.00 0.71 H new ATOM 0 HG23 VAL A 39 -13.973 -4.018 -2.321 1.00 0.71 H new ATOM 581 N ASN A 40 -15.257 -4.996 1.150 1.00 0.79 N ATOM 582 CA ASN A 40 -16.225 -4.349 2.011 1.00 1.03 C ATOM 583 C ASN A 40 -16.718 -3.139 1.233 1.00 1.02 C ATOM 584 O ASN A 40 -16.370 -1.997 1.525 1.00 0.98 O ATOM 585 CB ASN A 40 -15.580 -3.963 3.350 1.00 1.12 C ATOM 586 CG ASN A 40 -15.643 -5.114 4.342 1.00 1.40 C ATOM 587 OD1 ASN A 40 -14.704 -5.893 4.471 1.00 2.16 O ATOM 588 ND2 ASN A 40 -16.761 -5.235 5.052 1.00 1.57 N ATOM 0 H ASN A 40 -14.288 -4.780 1.386 1.00 0.79 H new ATOM 0 HA ASN A 40 -17.058 -5.004 2.266 1.00 1.03 H new ATOM 0 HB2 ASN A 40 -14.541 -3.676 3.187 1.00 1.12 H new ATOM 0 HB3 ASN A 40 -16.089 -3.093 3.765 1.00 1.12 H new ATOM 0 HD21 ASN A 40 -16.856 -5.993 5.728 1.00 1.57 H new ATOM 0 HD22 ASN A 40 -17.523 -4.570 4.920 1.00 1.57 H new ATOM 595 N LEU A 41 -17.551 -3.421 0.227 1.00 1.07 N ATOM 596 CA LEU A 41 -18.204 -2.422 -0.604 1.00 1.04 C ATOM 597 C LEU A 41 -18.967 -1.406 0.234 1.00 1.06 C ATOM 598 O LEU A 41 -19.065 -0.241 -0.136 1.00 1.08 O ATOM 599 CB LEU A 41 -19.070 -3.106 -1.669 1.00 1.17 C ATOM 600 CG LEU A 41 -20.305 -3.857 -1.165 1.00 1.44 C ATOM 601 CD1 LEU A 41 -21.549 -2.957 -1.154 1.00 1.74 C ATOM 602 CD2 LEU A 41 -20.552 -5.059 -2.087 1.00 1.57 C ATOM 0 H LEU A 41 -17.792 -4.377 -0.034 1.00 1.07 H new ATOM 0 HA LEU A 41 -17.443 -1.848 -1.132 1.00 1.04 H new ATOM 0 HB2 LEU A 41 -19.398 -2.348 -2.380 1.00 1.17 H new ATOM 0 HB3 LEU A 41 -18.444 -3.809 -2.218 1.00 1.17 H new ATOM 0 HG LEU A 41 -20.123 -4.183 -0.141 1.00 1.44 H new ATOM 0 HD11 LEU A 41 -22.406 -3.525 -0.790 1.00 1.74 H new ATOM 0 HD12 LEU A 41 -21.375 -2.103 -0.499 1.00 1.74 H new ATOM 0 HD13 LEU A 41 -21.751 -2.603 -2.165 1.00 1.74 H new ATOM 0 HD21 LEU A 41 -21.429 -5.607 -1.743 1.00 1.57 H new ATOM 0 HD22 LEU A 41 -20.719 -4.708 -3.105 1.00 1.57 H new ATOM 0 HD23 LEU A 41 -19.683 -5.717 -2.068 1.00 1.57 H new ATOM 614 N ALA A 42 -19.436 -1.833 1.406 1.00 1.13 N ATOM 615 CA ALA A 42 -20.080 -0.974 2.380 1.00 1.25 C ATOM 616 C ALA A 42 -19.217 0.250 2.702 1.00 1.13 C ATOM 617 O ALA A 42 -19.755 1.332 2.920 1.00 1.18 O ATOM 618 CB ALA A 42 -20.391 -1.782 3.643 1.00 1.47 C ATOM 0 H ALA A 42 -19.374 -2.807 1.704 1.00 1.13 H new ATOM 0 HA ALA A 42 -21.014 -0.601 1.959 1.00 1.25 H new ATOM 0 HB1 ALA A 42 -20.875 -1.138 4.377 1.00 1.47 H new ATOM 0 HB2 ALA A 42 -21.055 -2.609 3.392 1.00 1.47 H new ATOM 0 HB3 ALA A 42 -19.464 -2.175 4.061 1.00 1.47 H new ATOM 624 N THR A 43 -17.893 0.074 2.732 1.00 1.03 N ATOM 625 CA THR A 43 -16.934 1.151 2.923 1.00 0.99 C ATOM 626 C THR A 43 -16.046 1.338 1.679 1.00 0.78 C ATOM 627 O THR A 43 -15.027 2.019 1.761 1.00 0.85 O ATOM 628 CB THR A 43 -16.127 0.825 4.187 1.00 1.14 C ATOM 629 OG1 THR A 43 -15.386 -0.362 4.015 1.00 1.22 O ATOM 630 CG2 THR A 43 -17.068 0.591 5.373 1.00 1.26 C ATOM 0 H THR A 43 -17.455 -0.841 2.622 1.00 1.03 H new ATOM 0 HA THR A 43 -17.443 2.106 3.056 1.00 0.99 H new ATOM 0 HB THR A 43 -15.463 1.670 4.372 1.00 1.14 H new ATOM 0 HG1 THR A 43 -14.878 -0.551 4.831 1.00 1.22 H new ATOM 0 HG21 THR A 43 -16.482 0.361 6.263 1.00 1.26 H new ATOM 0 HG22 THR A 43 -17.660 1.489 5.551 1.00 1.26 H new ATOM 0 HG23 THR A 43 -17.733 -0.244 5.151 1.00 1.26 H new ATOM 638 N GLU A 44 -16.422 0.732 0.543 1.00 0.64 N ATOM 639 CA GLU A 44 -15.630 0.670 -0.685 1.00 0.53 C ATOM 640 C GLU A 44 -14.175 0.249 -0.426 1.00 0.51 C ATOM 641 O GLU A 44 -13.255 0.791 -1.038 1.00 0.79 O ATOM 642 CB GLU A 44 -15.730 1.990 -1.467 1.00 0.60 C ATOM 643 CG GLU A 44 -17.159 2.260 -1.954 1.00 0.77 C ATOM 644 CD GLU A 44 -17.204 3.492 -2.850 1.00 0.91 C ATOM 645 OE1 GLU A 44 -17.016 3.315 -4.075 1.00 1.88 O ATOM 646 OE2 GLU A 44 -17.413 4.590 -2.293 1.00 1.28 O ATOM 0 H GLU A 44 -17.320 0.256 0.456 1.00 0.64 H new ATOM 0 HA GLU A 44 -16.056 -0.115 -1.310 1.00 0.53 H new ATOM 0 HB2 GLU A 44 -15.401 2.813 -0.833 1.00 0.60 H new ATOM 0 HB3 GLU A 44 -15.055 1.957 -2.322 1.00 0.60 H new ATOM 0 HG2 GLU A 44 -17.531 1.394 -2.501 1.00 0.77 H new ATOM 0 HG3 GLU A 44 -17.818 2.404 -1.098 1.00 0.77 H new ATOM 653 N THR A 45 -13.961 -0.739 0.450 1.00 0.44 N ATOM 654 CA THR A 45 -12.652 -1.139 0.908 1.00 0.41 C ATOM 655 C THR A 45 -12.373 -2.535 0.358 1.00 0.36 C ATOM 656 O THR A 45 -12.982 -3.506 0.805 1.00 0.47 O ATOM 657 CB THR A 45 -12.674 -1.091 2.438 1.00 0.54 C ATOM 658 OG1 THR A 45 -12.940 0.226 2.879 1.00 0.73 O ATOM 659 CG2 THR A 45 -11.347 -1.523 3.028 1.00 0.60 C ATOM 0 H THR A 45 -14.717 -1.286 0.861 1.00 0.44 H new ATOM 0 HA THR A 45 -11.854 -0.484 0.560 1.00 0.41 H new ATOM 0 HB THR A 45 -13.455 -1.775 2.770 1.00 0.54 H new ATOM 0 HG1 THR A 45 -13.793 0.243 3.361 1.00 0.73 H new ATOM 0 HG21 THR A 45 -11.400 -1.476 4.116 1.00 0.60 H new ATOM 0 HG22 THR A 45 -11.127 -2.545 2.719 1.00 0.60 H new ATOM 0 HG23 THR A 45 -10.558 -0.859 2.674 1.00 0.60 H new ATOM 667 N VAL A 46 -11.473 -2.639 -0.618 1.00 0.27 N ATOM 668 CA VAL A 46 -11.033 -3.900 -1.181 1.00 0.27 C ATOM 669 C VAL A 46 -9.962 -4.468 -0.253 1.00 0.31 C ATOM 670 O VAL A 46 -8.974 -3.799 0.048 1.00 0.38 O ATOM 671 CB VAL A 46 -10.556 -3.709 -2.634 1.00 0.29 C ATOM 672 CG1 VAL A 46 -9.506 -2.605 -2.836 1.00 0.33 C ATOM 673 CG2 VAL A 46 -9.992 -5.015 -3.191 1.00 0.33 C ATOM 0 H VAL A 46 -11.024 -1.828 -1.044 1.00 0.27 H new ATOM 0 HA VAL A 46 -11.850 -4.619 -1.243 1.00 0.27 H new ATOM 0 HB VAL A 46 -11.451 -3.395 -3.172 1.00 0.29 H new ATOM 0 HG11 VAL A 46 -9.235 -2.549 -3.890 1.00 0.33 H new ATOM 0 HG12 VAL A 46 -9.918 -1.648 -2.516 1.00 0.33 H new ATOM 0 HG13 VAL A 46 -8.619 -2.834 -2.245 1.00 0.33 H new ATOM 0 HG21 VAL A 46 -9.661 -4.860 -4.218 1.00 0.33 H new ATOM 0 HG22 VAL A 46 -9.147 -5.336 -2.582 1.00 0.33 H new ATOM 0 HG23 VAL A 46 -10.765 -5.783 -3.172 1.00 0.33 H new ATOM 683 N ASN A 47 -10.191 -5.694 0.222 1.00 0.36 N ATOM 684 CA ASN A 47 -9.300 -6.413 1.112 1.00 0.42 C ATOM 685 C ASN A 47 -8.823 -7.647 0.363 1.00 0.41 C ATOM 686 O ASN A 47 -9.590 -8.595 0.194 1.00 0.43 O ATOM 687 CB ASN A 47 -10.032 -6.858 2.386 1.00 0.60 C ATOM 688 CG ASN A 47 -10.388 -5.709 3.319 1.00 1.44 C ATOM 689 OD1 ASN A 47 -9.967 -4.579 3.119 1.00 2.66 O ATOM 690 ND2 ASN A 47 -11.165 -5.986 4.362 1.00 2.09 N ATOM 0 H ASN A 47 -11.030 -6.224 -0.014 1.00 0.36 H new ATOM 0 HA ASN A 47 -8.472 -5.768 1.406 1.00 0.42 H new ATOM 0 HB2 ASN A 47 -10.945 -7.383 2.105 1.00 0.60 H new ATOM 0 HB3 ASN A 47 -9.407 -7.571 2.924 1.00 0.60 H new ATOM 0 HD21 ASN A 47 -11.422 -5.247 5.017 1.00 2.09 H new ATOM 0 HD22 ASN A 47 -11.504 -6.937 4.507 1.00 2.09 H new ATOM 697 N VAL A 48 -7.569 -7.646 -0.088 1.00 0.43 N ATOM 698 CA VAL A 48 -7.006 -8.786 -0.805 1.00 0.45 C ATOM 699 C VAL A 48 -6.003 -9.478 0.112 1.00 0.49 C ATOM 700 O VAL A 48 -5.248 -8.806 0.816 1.00 0.56 O ATOM 701 CB VAL A 48 -6.394 -8.382 -2.160 1.00 0.44 C ATOM 702 CG1 VAL A 48 -6.387 -9.591 -3.109 1.00 0.55 C ATOM 703 CG2 VAL A 48 -7.187 -7.263 -2.844 1.00 0.37 C ATOM 0 H VAL A 48 -6.923 -6.865 0.032 1.00 0.43 H new ATOM 0 HA VAL A 48 -7.802 -9.487 -1.058 1.00 0.45 H new ATOM 0 HB VAL A 48 -5.384 -8.028 -1.955 1.00 0.44 H new ATOM 0 HG11 VAL A 48 -5.953 -9.300 -4.066 1.00 0.55 H new ATOM 0 HG12 VAL A 48 -5.794 -10.394 -2.671 1.00 0.55 H new ATOM 0 HG13 VAL A 48 -7.409 -9.938 -3.264 1.00 0.55 H new ATOM 0 HG21 VAL A 48 -6.717 -7.013 -3.795 1.00 0.37 H new ATOM 0 HG22 VAL A 48 -8.209 -7.597 -3.021 1.00 0.37 H new ATOM 0 HG23 VAL A 48 -7.200 -6.382 -2.203 1.00 0.37 H new ATOM 713 N ILE A 49 -6.015 -10.814 0.114 1.00 0.52 N ATOM 714 CA ILE A 49 -5.131 -11.643 0.914 1.00 0.57 C ATOM 715 C ILE A 49 -4.376 -12.547 -0.051 1.00 0.55 C ATOM 716 O ILE A 49 -4.994 -13.337 -0.767 1.00 0.55 O ATOM 717 CB ILE A 49 -5.922 -12.458 1.953 1.00 0.65 C ATOM 718 CG1 ILE A 49 -6.788 -11.514 2.810 1.00 0.78 C ATOM 719 CG2 ILE A 49 -4.933 -13.275 2.804 1.00 0.67 C ATOM 720 CD1 ILE A 49 -7.581 -12.232 3.905 1.00 1.09 C ATOM 0 H ILE A 49 -6.661 -11.357 -0.459 1.00 0.52 H new ATOM 0 HA ILE A 49 -4.433 -11.028 1.482 1.00 0.57 H new ATOM 0 HB ILE A 49 -6.599 -13.154 1.459 1.00 0.65 H new ATOM 0 HG12 ILE A 49 -6.145 -10.764 3.271 1.00 0.78 H new ATOM 0 HG13 ILE A 49 -7.483 -10.982 2.160 1.00 0.78 H new ATOM 0 HG21 ILE A 49 -5.483 -13.856 3.544 1.00 0.67 H new ATOM 0 HG22 ILE A 49 -4.369 -13.949 2.159 1.00 0.67 H new ATOM 0 HG23 ILE A 49 -4.246 -12.599 3.312 1.00 0.67 H new ATOM 0 HD11 ILE A 49 -8.166 -11.504 4.467 1.00 1.09 H new ATOM 0 HD12 ILE A 49 -8.250 -12.963 3.450 1.00 1.09 H new ATOM 0 HD13 ILE A 49 -6.892 -12.741 4.579 1.00 1.09 H new ATOM 732 N TYR A 50 -3.051 -12.415 -0.111 1.00 0.57 N ATOM 733 CA TYR A 50 -2.277 -13.100 -1.132 1.00 0.60 C ATOM 734 C TYR A 50 -0.854 -13.360 -0.683 1.00 0.68 C ATOM 735 O TYR A 50 -0.400 -12.834 0.336 1.00 0.70 O ATOM 736 CB TYR A 50 -2.297 -12.290 -2.431 1.00 0.59 C ATOM 737 CG TYR A 50 -1.793 -10.882 -2.283 1.00 0.57 C ATOM 738 CD1 TYR A 50 -0.418 -10.596 -2.301 1.00 1.75 C ATOM 739 CD2 TYR A 50 -2.725 -9.850 -2.121 1.00 2.10 C ATOM 740 CE1 TYR A 50 0.026 -9.285 -2.079 1.00 1.75 C ATOM 741 CE2 TYR A 50 -2.286 -8.531 -2.019 1.00 2.10 C ATOM 742 CZ TYR A 50 -0.914 -8.257 -1.929 1.00 0.58 C ATOM 743 OH TYR A 50 -0.489 -7.004 -1.614 1.00 0.67 O ATOM 0 H TYR A 50 -2.501 -11.845 0.531 1.00 0.57 H new ATOM 0 HA TYR A 50 -2.738 -14.072 -1.309 1.00 0.60 H new ATOM 0 HB2 TYR A 50 -1.692 -12.805 -3.177 1.00 0.59 H new ATOM 0 HB3 TYR A 50 -3.317 -12.261 -2.813 1.00 0.59 H new ATOM 0 HD1 TYR A 50 0.296 -11.385 -2.486 1.00 1.75 H new ATOM 0 HD2 TYR A 50 -3.780 -10.075 -2.075 1.00 2.10 H new ATOM 0 HE1 TYR A 50 1.083 -9.069 -2.024 1.00 1.75 H new ATOM 0 HE2 TYR A 50 -3.001 -7.722 -2.009 1.00 2.10 H new ATOM 0 HH TYR A 50 -0.962 -6.349 -2.168 1.00 0.67 H new ATOM 753 N ASP A 51 -0.160 -14.152 -1.495 1.00 0.79 N ATOM 754 CA ASP A 51 1.219 -14.515 -1.284 1.00 0.94 C ATOM 755 C ASP A 51 2.157 -13.385 -1.733 1.00 0.86 C ATOM 756 O ASP A 51 2.068 -12.934 -2.881 1.00 0.86 O ATOM 757 CB ASP A 51 1.495 -15.773 -2.106 1.00 1.24 C ATOM 758 CG ASP A 51 2.862 -16.301 -1.744 1.00 1.70 C ATOM 759 OD1 ASP A 51 3.819 -15.618 -2.168 1.00 2.76 O ATOM 760 OD2 ASP A 51 2.910 -17.301 -1.000 1.00 2.02 O ATOM 0 H ASP A 51 -0.561 -14.565 -2.337 1.00 0.79 H new ATOM 0 HA ASP A 51 1.398 -14.693 -0.224 1.00 0.94 H new ATOM 0 HB2 ASP A 51 0.734 -16.528 -1.907 1.00 1.24 H new ATOM 0 HB3 ASP A 51 1.448 -15.546 -3.171 1.00 1.24 H new ATOM 765 N PRO A 52 3.069 -12.916 -0.867 1.00 0.89 N ATOM 766 CA PRO A 52 3.954 -11.802 -1.151 1.00 0.82 C ATOM 767 C PRO A 52 5.125 -12.170 -2.070 1.00 0.95 C ATOM 768 O PRO A 52 6.032 -11.352 -2.220 1.00 1.24 O ATOM 769 CB PRO A 52 4.455 -11.360 0.232 1.00 0.99 C ATOM 770 CG PRO A 52 4.494 -12.665 1.037 1.00 1.26 C ATOM 771 CD PRO A 52 3.330 -13.457 0.455 1.00 1.17 C ATOM 0 HA PRO A 52 3.430 -11.015 -1.694 1.00 0.82 H new ATOM 0 HB2 PRO A 52 5.440 -10.897 0.172 1.00 0.99 H new ATOM 0 HB3 PRO A 52 3.786 -10.629 0.686 1.00 0.99 H new ATOM 0 HG2 PRO A 52 5.442 -13.189 0.912 1.00 1.26 H new ATOM 0 HG3 PRO A 52 4.367 -12.485 2.105 1.00 1.26 H new ATOM 0 HD2 PRO A 52 3.576 -14.517 0.396 1.00 1.17 H new ATOM 0 HD3 PRO A 52 2.448 -13.369 1.089 1.00 1.17 H new ATOM 779 N ALA A 53 5.128 -13.364 -2.672 1.00 0.82 N ATOM 780 CA ALA A 53 6.280 -13.912 -3.387 1.00 0.88 C ATOM 781 C ALA A 53 5.911 -14.451 -4.771 1.00 0.97 C ATOM 782 O ALA A 53 6.808 -14.703 -5.573 1.00 1.46 O ATOM 783 CB ALA A 53 6.966 -14.980 -2.524 1.00 1.06 C ATOM 0 H ALA A 53 4.318 -13.984 -2.675 1.00 0.82 H new ATOM 0 HA ALA A 53 6.983 -13.098 -3.564 1.00 0.88 H new ATOM 0 HB1 ALA A 53 7.824 -15.386 -3.061 1.00 1.06 H new ATOM 0 HB2 ALA A 53 7.302 -14.532 -1.589 1.00 1.06 H new ATOM 0 HB3 ALA A 53 6.260 -15.782 -2.309 1.00 1.06 H new ATOM 789 N GLU A 54 4.616 -14.586 -5.074 1.00 0.85 N ATOM 790 CA GLU A 54 4.128 -15.029 -6.367 1.00 0.87 C ATOM 791 C GLU A 54 3.518 -13.877 -7.162 1.00 0.83 C ATOM 792 O GLU A 54 3.647 -13.831 -8.383 1.00 0.95 O ATOM 793 CB GLU A 54 3.068 -16.106 -6.144 1.00 0.91 C ATOM 794 CG GLU A 54 3.654 -17.327 -5.421 1.00 0.89 C ATOM 795 CD GLU A 54 2.737 -18.542 -5.519 1.00 0.91 C ATOM 796 OE1 GLU A 54 1.737 -18.568 -4.770 1.00 1.58 O ATOM 797 OE2 GLU A 54 3.065 -19.431 -6.336 1.00 2.05 O ATOM 0 H GLU A 54 3.870 -14.384 -4.409 1.00 0.85 H new ATOM 0 HA GLU A 54 4.968 -15.422 -6.940 1.00 0.87 H new ATOM 0 HB2 GLU A 54 2.246 -15.694 -5.558 1.00 0.91 H new ATOM 0 HB3 GLU A 54 2.653 -16.414 -7.103 1.00 0.91 H new ATOM 0 HG2 GLU A 54 4.626 -17.571 -5.850 1.00 0.89 H new ATOM 0 HG3 GLU A 54 3.821 -17.082 -4.372 1.00 0.89 H new ATOM 804 N THR A 55 2.812 -12.974 -6.475 1.00 0.70 N ATOM 805 CA THR A 55 1.911 -12.034 -7.115 1.00 0.68 C ATOM 806 C THR A 55 2.485 -10.632 -6.925 1.00 0.68 C ATOM 807 O THR A 55 3.129 -10.103 -7.829 1.00 0.79 O ATOM 808 CB THR A 55 0.506 -12.294 -6.550 1.00 0.64 C ATOM 809 OG1 THR A 55 -0.032 -13.419 -7.211 1.00 0.83 O ATOM 810 CG2 THR A 55 -0.440 -11.121 -6.753 1.00 0.65 C ATOM 0 H THR A 55 2.855 -12.881 -5.460 1.00 0.70 H new ATOM 0 HA THR A 55 1.816 -12.151 -8.194 1.00 0.68 H new ATOM 0 HB THR A 55 0.604 -12.453 -5.476 1.00 0.64 H new ATOM 0 HG1 THR A 55 -0.930 -13.604 -6.864 1.00 0.83 H new ATOM 0 HG21 THR A 55 -1.416 -11.364 -6.333 1.00 0.65 H new ATOM 0 HG22 THR A 55 -0.039 -10.240 -6.253 1.00 0.65 H new ATOM 0 HG23 THR A 55 -0.544 -10.917 -7.819 1.00 0.65 H new ATOM 818 N GLY A 56 2.298 -10.038 -5.746 1.00 0.61 N ATOM 819 CA GLY A 56 2.973 -8.813 -5.373 1.00 0.63 C ATOM 820 C GLY A 56 1.976 -7.669 -5.417 1.00 0.56 C ATOM 821 O GLY A 56 1.297 -7.460 -6.417 1.00 0.54 O ATOM 0 H GLY A 56 1.671 -10.400 -5.027 1.00 0.61 H new ATOM 0 HA2 GLY A 56 3.397 -8.906 -4.373 1.00 0.63 H new ATOM 0 HA3 GLY A 56 3.802 -8.617 -6.053 1.00 0.63 H new ATOM 825 N THR A 57 1.890 -6.933 -4.312 1.00 0.55 N ATOM 826 CA THR A 57 0.981 -5.807 -4.110 1.00 0.55 C ATOM 827 C THR A 57 0.897 -4.878 -5.341 1.00 0.54 C ATOM 828 O THR A 57 -0.186 -4.445 -5.733 1.00 0.53 O ATOM 829 CB THR A 57 1.367 -5.115 -2.785 1.00 0.66 C ATOM 830 OG1 THR A 57 0.300 -4.353 -2.258 1.00 0.96 O ATOM 831 CG2 THR A 57 2.634 -4.286 -2.921 1.00 0.69 C ATOM 0 H THR A 57 2.477 -7.112 -3.497 1.00 0.55 H new ATOM 0 HA THR A 57 -0.046 -6.158 -4.013 1.00 0.55 H new ATOM 0 HB THR A 57 1.581 -5.908 -2.069 1.00 0.66 H new ATOM 0 HG1 THR A 57 0.582 -3.932 -1.419 1.00 0.96 H new ATOM 0 HG21 THR A 57 2.867 -3.818 -1.965 1.00 0.69 H new ATOM 0 HG22 THR A 57 3.460 -4.931 -3.220 1.00 0.69 H new ATOM 0 HG23 THR A 57 2.484 -3.514 -3.676 1.00 0.69 H new ATOM 839 N ALA A 58 2.028 -4.619 -6.002 1.00 0.59 N ATOM 840 CA ALA A 58 2.055 -3.810 -7.215 1.00 0.62 C ATOM 841 C ALA A 58 1.275 -4.486 -8.351 1.00 0.58 C ATOM 842 O ALA A 58 0.520 -3.839 -9.072 1.00 0.57 O ATOM 843 CB ALA A 58 3.505 -3.540 -7.620 1.00 0.71 C ATOM 0 H ALA A 58 2.943 -4.963 -5.711 1.00 0.59 H new ATOM 0 HA ALA A 58 1.565 -2.858 -7.014 1.00 0.62 H new ATOM 0 HB1 ALA A 58 3.523 -2.935 -8.527 1.00 0.71 H new ATOM 0 HB2 ALA A 58 4.013 -3.006 -6.817 1.00 0.71 H new ATOM 0 HB3 ALA A 58 4.013 -4.486 -7.805 1.00 0.71 H new ATOM 849 N ALA A 59 1.425 -5.802 -8.516 1.00 0.56 N ATOM 850 CA ALA A 59 0.687 -6.521 -9.540 1.00 0.55 C ATOM 851 C ALA A 59 -0.806 -6.533 -9.218 1.00 0.49 C ATOM 852 O ALA A 59 -1.640 -6.523 -10.123 1.00 0.50 O ATOM 853 CB ALA A 59 1.204 -7.946 -9.664 1.00 0.57 C ATOM 0 H ALA A 59 2.048 -6.383 -7.955 1.00 0.56 H new ATOM 0 HA ALA A 59 0.835 -6.008 -10.491 1.00 0.55 H new ATOM 0 HB1 ALA A 59 0.641 -8.472 -10.435 1.00 0.57 H new ATOM 0 HB2 ALA A 59 2.260 -7.928 -9.934 1.00 0.57 H new ATOM 0 HB3 ALA A 59 1.082 -8.461 -8.711 1.00 0.57 H new ATOM 859 N ILE A 60 -1.149 -6.563 -7.927 1.00 0.46 N ATOM 860 CA ILE A 60 -2.538 -6.476 -7.498 1.00 0.44 C ATOM 861 C ILE A 60 -3.131 -5.181 -8.061 1.00 0.45 C ATOM 862 O ILE A 60 -4.136 -5.215 -8.775 1.00 0.45 O ATOM 863 CB ILE A 60 -2.667 -6.537 -5.965 1.00 0.50 C ATOM 864 CG1 ILE A 60 -1.942 -7.724 -5.324 1.00 0.65 C ATOM 865 CG2 ILE A 60 -4.124 -6.561 -5.505 1.00 0.48 C ATOM 866 CD1 ILE A 60 -2.647 -9.071 -5.453 1.00 0.65 C ATOM 0 H ILE A 60 -0.478 -6.647 -7.163 1.00 0.46 H new ATOM 0 HA ILE A 60 -3.092 -7.333 -7.881 1.00 0.44 H new ATOM 0 HB ILE A 60 -2.183 -5.620 -5.628 1.00 0.50 H new ATOM 0 HG12 ILE A 60 -0.952 -7.807 -5.772 1.00 0.65 H new ATOM 0 HG13 ILE A 60 -1.796 -7.510 -4.265 1.00 0.65 H new ATOM 0 HG21 ILE A 60 -4.161 -6.604 -4.416 1.00 0.48 H new ATOM 0 HG22 ILE A 60 -4.629 -5.659 -5.850 1.00 0.48 H new ATOM 0 HG23 ILE A 60 -4.622 -7.437 -5.920 1.00 0.48 H new ATOM 0 HD11 ILE A 60 -2.050 -9.842 -4.966 1.00 0.65 H new ATOM 0 HD12 ILE A 60 -3.626 -9.016 -4.978 1.00 0.65 H new ATOM 0 HD13 ILE A 60 -2.769 -9.318 -6.508 1.00 0.65 H new ATOM 878 N GLN A 61 -2.480 -4.044 -7.777 1.00 0.49 N ATOM 879 CA GLN A 61 -2.970 -2.772 -8.297 1.00 0.55 C ATOM 880 C GLN A 61 -2.984 -2.796 -9.825 1.00 0.56 C ATOM 881 O GLN A 61 -3.984 -2.410 -10.422 1.00 0.59 O ATOM 882 CB GLN A 61 -2.278 -1.542 -7.679 1.00 0.67 C ATOM 883 CG GLN A 61 -1.066 -0.994 -8.445 1.00 0.82 C ATOM 884 CD GLN A 61 -0.573 0.311 -7.846 1.00 0.91 C ATOM 885 OE1 GLN A 61 0.306 0.311 -6.987 1.00 1.91 O ATOM 886 NE2 GLN A 61 -1.124 1.428 -8.300 1.00 1.03 N ATOM 0 H GLN A 61 -1.637 -3.983 -7.206 1.00 0.49 H new ATOM 0 HA GLN A 61 -4.004 -2.653 -7.974 1.00 0.55 H new ATOM 0 HB2 GLN A 61 -3.015 -0.744 -7.586 1.00 0.67 H new ATOM 0 HB3 GLN A 61 -1.958 -1.799 -6.669 1.00 0.67 H new ATOM 0 HG2 GLN A 61 -0.262 -1.729 -8.430 1.00 0.82 H new ATOM 0 HG3 GLN A 61 -1.335 -0.837 -9.490 1.00 0.82 H new ATOM 0 HE21 GLN A 61 -1.851 1.384 -9.014 1.00 1.03 H new ATOM 0 HE22 GLN A 61 -0.821 2.331 -7.935 1.00 1.03 H new ATOM 895 N GLU A 62 -1.923 -3.322 -10.458 1.00 0.57 N ATOM 896 CA GLU A 62 -1.886 -3.437 -11.913 1.00 0.61 C ATOM 897 C GLU A 62 -3.163 -4.122 -12.408 1.00 0.57 C ATOM 898 O GLU A 62 -3.771 -3.690 -13.390 1.00 0.59 O ATOM 899 CB GLU A 62 -0.625 -4.201 -12.358 1.00 0.67 C ATOM 900 CG GLU A 62 -0.617 -4.489 -13.865 1.00 0.85 C ATOM 901 CD GLU A 62 0.463 -5.467 -14.293 1.00 1.33 C ATOM 902 OE1 GLU A 62 0.208 -6.681 -14.114 1.00 2.40 O ATOM 903 OE2 GLU A 62 1.457 -5.012 -14.886 1.00 2.02 O ATOM 0 H GLU A 62 -1.089 -3.670 -9.984 1.00 0.57 H new ATOM 0 HA GLU A 62 -1.839 -2.442 -12.355 1.00 0.61 H new ATOM 0 HB2 GLU A 62 0.260 -3.620 -12.097 1.00 0.67 H new ATOM 0 HB3 GLU A 62 -0.561 -5.142 -11.811 1.00 0.67 H new ATOM 0 HG2 GLU A 62 -1.590 -4.886 -14.155 1.00 0.85 H new ATOM 0 HG3 GLU A 62 -0.481 -3.552 -14.405 1.00 0.85 H new ATOM 910 N LYS A 63 -3.566 -5.214 -11.750 1.00 0.54 N ATOM 911 CA LYS A 63 -4.708 -5.982 -12.190 1.00 0.53 C ATOM 912 C LYS A 63 -5.977 -5.147 -12.031 1.00 0.49 C ATOM 913 O LYS A 63 -6.756 -5.053 -12.975 1.00 0.50 O ATOM 914 CB LYS A 63 -4.777 -7.310 -11.425 1.00 0.55 C ATOM 915 CG LYS A 63 -4.907 -8.524 -12.351 1.00 0.84 C ATOM 916 CD LYS A 63 -3.543 -9.141 -12.688 1.00 1.65 C ATOM 917 CE LYS A 63 -2.600 -8.183 -13.428 1.00 1.98 C ATOM 918 NZ LYS A 63 -1.272 -8.781 -13.665 1.00 3.37 N ATOM 0 H LYS A 63 -3.110 -5.576 -10.912 1.00 0.54 H new ATOM 0 HA LYS A 63 -4.608 -6.230 -13.247 1.00 0.53 H new ATOM 0 HB2 LYS A 63 -3.881 -7.419 -10.814 1.00 0.55 H new ATOM 0 HB3 LYS A 63 -5.627 -7.287 -10.743 1.00 0.55 H new ATOM 0 HG2 LYS A 63 -5.537 -9.276 -11.876 1.00 0.84 H new ATOM 0 HG3 LYS A 63 -5.407 -8.225 -13.272 1.00 0.84 H new ATOM 0 HD2 LYS A 63 -3.064 -9.468 -11.765 1.00 1.65 H new ATOM 0 HD3 LYS A 63 -3.697 -10.030 -13.300 1.00 1.65 H new ATOM 0 HE2 LYS A 63 -3.046 -7.902 -14.382 1.00 1.98 H new ATOM 0 HE3 LYS A 63 -2.486 -7.267 -12.848 1.00 1.98 H new ATOM 0 HZ1 LYS A 63 -0.614 -8.046 -13.995 1.00 3.37 H new ATOM 0 HZ2 LYS A 63 -0.914 -9.194 -12.780 1.00 3.37 H new ATOM 0 HZ3 LYS A 63 -1.350 -9.525 -14.387 1.00 3.37 H new ATOM 932 N ILE A 64 -6.180 -4.533 -10.860 1.00 0.45 N ATOM 933 CA ILE A 64 -7.321 -3.651 -10.619 1.00 0.43 C ATOM 934 C ILE A 64 -7.419 -2.618 -11.746 1.00 0.44 C ATOM 935 O ILE A 64 -8.482 -2.424 -12.336 1.00 0.47 O ATOM 936 CB ILE A 64 -7.200 -2.988 -9.231 1.00 0.41 C ATOM 937 CG1 ILE A 64 -7.317 -4.064 -8.131 1.00 0.44 C ATOM 938 CG2 ILE A 64 -8.301 -1.935 -9.041 1.00 0.42 C ATOM 939 CD1 ILE A 64 -6.919 -3.577 -6.734 1.00 0.58 C ATOM 0 H ILE A 64 -5.559 -4.635 -10.057 1.00 0.45 H new ATOM 0 HA ILE A 64 -8.243 -4.232 -10.618 1.00 0.43 H new ATOM 0 HB ILE A 64 -6.230 -2.497 -9.161 1.00 0.41 H new ATOM 0 HG12 ILE A 64 -8.345 -4.425 -8.099 1.00 0.44 H new ATOM 0 HG13 ILE A 64 -6.689 -4.913 -8.400 1.00 0.44 H new ATOM 0 HG21 ILE A 64 -8.201 -1.477 -8.057 1.00 0.42 H new ATOM 0 HG22 ILE A 64 -8.207 -1.168 -9.809 1.00 0.42 H new ATOM 0 HG23 ILE A 64 -9.278 -2.411 -9.122 1.00 0.42 H new ATOM 0 HD11 ILE A 64 -7.029 -4.393 -6.019 1.00 0.58 H new ATOM 0 HD12 ILE A 64 -5.881 -3.244 -6.747 1.00 0.58 H new ATOM 0 HD13 ILE A 64 -7.563 -2.748 -6.441 1.00 0.58 H new ATOM 951 N GLU A 65 -6.294 -1.976 -12.058 1.00 0.45 N ATOM 952 CA GLU A 65 -6.243 -0.948 -13.081 1.00 0.47 C ATOM 953 C GLU A 65 -6.609 -1.532 -14.452 1.00 0.51 C ATOM 954 O GLU A 65 -7.527 -1.038 -15.106 1.00 0.55 O ATOM 955 CB GLU A 65 -4.880 -0.245 -13.018 1.00 0.52 C ATOM 956 CG GLU A 65 -4.732 0.483 -11.665 1.00 0.56 C ATOM 957 CD GLU A 65 -3.343 1.074 -11.463 1.00 0.99 C ATOM 958 OE1 GLU A 65 -2.702 1.394 -12.486 1.00 1.52 O ATOM 959 OE2 GLU A 65 -2.943 1.193 -10.283 1.00 1.74 O ATOM 0 H GLU A 65 -5.398 -2.158 -11.606 1.00 0.45 H new ATOM 0 HA GLU A 65 -6.993 -0.178 -12.901 1.00 0.47 H new ATOM 0 HB2 GLU A 65 -4.078 -0.973 -13.140 1.00 0.52 H new ATOM 0 HB3 GLU A 65 -4.790 0.468 -13.837 1.00 0.52 H new ATOM 0 HG2 GLU A 65 -5.474 1.279 -11.603 1.00 0.56 H new ATOM 0 HG3 GLU A 65 -4.946 -0.216 -10.856 1.00 0.56 H new ATOM 966 N LYS A 66 -5.962 -2.626 -14.868 1.00 0.54 N ATOM 967 CA LYS A 66 -6.296 -3.332 -16.106 1.00 0.60 C ATOM 968 C LYS A 66 -7.765 -3.760 -16.160 1.00 0.58 C ATOM 969 O LYS A 66 -8.362 -3.757 -17.235 1.00 0.64 O ATOM 970 CB LYS A 66 -5.390 -4.549 -16.296 1.00 0.65 C ATOM 971 CG LYS A 66 -4.068 -4.132 -16.949 1.00 0.83 C ATOM 972 CD LYS A 66 -3.040 -5.222 -16.655 1.00 1.29 C ATOM 973 CE LYS A 66 -1.640 -4.912 -17.210 1.00 1.59 C ATOM 974 NZ LYS A 66 -1.491 -5.313 -18.622 1.00 2.68 N ATOM 0 H LYS A 66 -5.189 -3.047 -14.352 1.00 0.54 H new ATOM 0 HA LYS A 66 -6.131 -2.627 -16.921 1.00 0.60 H new ATOM 0 HB2 LYS A 66 -5.195 -5.019 -15.332 1.00 0.65 H new ATOM 0 HB3 LYS A 66 -5.892 -5.291 -16.917 1.00 0.65 H new ATOM 0 HG2 LYS A 66 -4.196 -4.007 -18.024 1.00 0.83 H new ATOM 0 HG3 LYS A 66 -3.732 -3.173 -16.554 1.00 0.83 H new ATOM 0 HD2 LYS A 66 -2.971 -5.364 -15.576 1.00 1.29 H new ATOM 0 HD3 LYS A 66 -3.390 -6.164 -17.079 1.00 1.29 H new ATOM 0 HE2 LYS A 66 -1.444 -3.844 -17.116 1.00 1.59 H new ATOM 0 HE3 LYS A 66 -0.892 -5.428 -16.608 1.00 1.59 H new ATOM 0 HZ1 LYS A 66 -0.531 -5.083 -18.949 1.00 2.68 H new ATOM 0 HZ2 LYS A 66 -1.651 -6.337 -18.711 1.00 2.68 H new ATOM 0 HZ3 LYS A 66 -2.186 -4.802 -19.203 1.00 2.68 H new ATOM 988 N LEU A 67 -8.359 -4.137 -15.023 1.00 0.53 N ATOM 989 CA LEU A 67 -9.768 -4.494 -14.965 1.00 0.56 C ATOM 990 C LEU A 67 -10.680 -3.295 -15.260 1.00 0.59 C ATOM 991 O LEU A 67 -11.869 -3.494 -15.503 1.00 0.68 O ATOM 992 CB LEU A 67 -10.090 -5.178 -13.629 1.00 0.56 C ATOM 993 CG LEU A 67 -10.066 -6.714 -13.742 1.00 0.66 C ATOM 994 CD1 LEU A 67 -9.194 -7.303 -12.638 1.00 1.62 C ATOM 995 CD2 LEU A 67 -11.494 -7.269 -13.669 1.00 1.95 C ATOM 0 H LEU A 67 -7.876 -4.201 -14.127 1.00 0.53 H new ATOM 0 HA LEU A 67 -9.972 -5.215 -15.757 1.00 0.56 H new ATOM 0 HB2 LEU A 67 -9.369 -4.859 -12.876 1.00 0.56 H new ATOM 0 HB3 LEU A 67 -11.073 -4.856 -13.285 1.00 0.56 H new ATOM 0 HG LEU A 67 -9.639 -6.998 -14.704 1.00 0.66 H new ATOM 0 HD11 LEU A 67 -9.182 -8.389 -12.724 1.00 1.62 H new ATOM 0 HD12 LEU A 67 -8.178 -6.920 -12.734 1.00 1.62 H new ATOM 0 HD13 LEU A 67 -9.598 -7.021 -11.666 1.00 1.62 H new ATOM 0 HD21 LEU A 67 -11.467 -8.356 -13.750 1.00 1.95 H new ATOM 0 HD22 LEU A 67 -11.946 -6.987 -12.718 1.00 1.95 H new ATOM 0 HD23 LEU A 67 -12.086 -6.859 -14.487 1.00 1.95 H new ATOM 1007 N GLY A 68 -10.138 -2.073 -15.275 1.00 0.57 N ATOM 1008 CA GLY A 68 -10.857 -0.867 -15.653 1.00 0.62 C ATOM 1009 C GLY A 68 -11.393 -0.150 -14.419 1.00 0.57 C ATOM 1010 O GLY A 68 -12.524 0.330 -14.420 1.00 0.69 O ATOM 0 H GLY A 68 -9.166 -1.898 -15.018 1.00 0.57 H new ATOM 0 HA2 GLY A 68 -10.195 -0.202 -16.207 1.00 0.62 H new ATOM 0 HA3 GLY A 68 -11.682 -1.123 -16.318 1.00 0.62 H new ATOM 1014 N TYR A 69 -10.572 -0.081 -13.368 1.00 0.46 N ATOM 1015 CA TYR A 69 -10.890 0.589 -12.112 1.00 0.44 C ATOM 1016 C TYR A 69 -9.707 1.457 -11.684 1.00 0.42 C ATOM 1017 O TYR A 69 -8.693 1.500 -12.375 1.00 0.45 O ATOM 1018 CB TYR A 69 -11.262 -0.457 -11.055 1.00 0.45 C ATOM 1019 CG TYR A 69 -12.440 -1.314 -11.470 1.00 0.53 C ATOM 1020 CD1 TYR A 69 -13.753 -0.836 -11.303 1.00 1.86 C ATOM 1021 CD2 TYR A 69 -12.221 -2.511 -12.174 1.00 1.92 C ATOM 1022 CE1 TYR A 69 -14.837 -1.547 -11.843 1.00 1.94 C ATOM 1023 CE2 TYR A 69 -13.308 -3.225 -12.705 1.00 1.98 C ATOM 1024 CZ TYR A 69 -14.611 -2.730 -12.561 1.00 0.94 C ATOM 1025 OH TYR A 69 -15.651 -3.392 -13.140 1.00 1.21 O ATOM 0 H TYR A 69 -9.643 -0.502 -13.371 1.00 0.46 H new ATOM 0 HA TYR A 69 -11.750 1.247 -12.236 1.00 0.44 H new ATOM 0 HB2 TYR A 69 -10.401 -1.098 -10.865 1.00 0.45 H new ATOM 0 HB3 TYR A 69 -11.497 0.047 -10.118 1.00 0.45 H new ATOM 0 HD1 TYR A 69 -13.927 0.080 -10.758 1.00 1.86 H new ATOM 0 HD2 TYR A 69 -11.216 -2.882 -12.307 1.00 1.92 H new ATOM 0 HE1 TYR A 69 -15.844 -1.183 -11.705 1.00 1.94 H new ATOM 0 HE2 TYR A 69 -13.139 -4.157 -13.225 1.00 1.98 H new ATOM 0 HH TYR A 69 -16.494 -3.083 -12.748 1.00 1.21 H new ATOM 1035 N HIS A 70 -9.844 2.182 -10.570 1.00 0.42 N ATOM 1036 CA HIS A 70 -8.789 3.031 -10.034 1.00 0.42 C ATOM 1037 C HIS A 70 -8.786 2.918 -8.512 1.00 0.40 C ATOM 1038 O HIS A 70 -9.847 2.786 -7.901 1.00 0.48 O ATOM 1039 CB HIS A 70 -8.989 4.485 -10.490 1.00 0.47 C ATOM 1040 CG HIS A 70 -7.818 5.021 -11.273 1.00 0.65 C ATOM 1041 ND1 HIS A 70 -6.760 5.739 -10.763 1.00 2.15 N ATOM 1042 CD2 HIS A 70 -7.613 4.874 -12.619 1.00 1.57 C ATOM 1043 CE1 HIS A 70 -5.940 6.026 -11.790 1.00 1.99 C ATOM 1044 NE2 HIS A 70 -6.420 5.528 -12.941 1.00 1.31 N ATOM 0 H HIS A 70 -10.699 2.193 -10.014 1.00 0.42 H new ATOM 0 HA HIS A 70 -7.821 2.703 -10.412 1.00 0.42 H new ATOM 0 HB2 HIS A 70 -9.888 4.548 -11.103 1.00 0.47 H new ATOM 0 HB3 HIS A 70 -9.154 5.115 -9.616 1.00 0.47 H new ATOM 0 HD2 HIS A 70 -8.257 4.348 -13.308 1.00 1.57 H new ATOM 0 HE1 HIS A 70 -5.019 6.583 -11.701 1.00 1.99 H new ATOM 0 HE2 HIS A 70 -5.998 5.610 -13.866 1.00 1.31 H new ATOM 1052 N VAL A 71 -7.594 2.964 -7.915 1.00 0.40 N ATOM 1053 CA VAL A 71 -7.379 2.870 -6.481 1.00 0.40 C ATOM 1054 C VAL A 71 -7.255 4.274 -5.892 1.00 0.41 C ATOM 1055 O VAL A 71 -6.635 5.151 -6.494 1.00 0.45 O ATOM 1056 CB VAL A 71 -6.149 1.989 -6.197 1.00 0.45 C ATOM 1057 CG1 VAL A 71 -6.431 0.540 -6.613 1.00 0.52 C ATOM 1058 CG2 VAL A 71 -4.865 2.463 -6.898 1.00 0.48 C ATOM 0 H VAL A 71 -6.726 3.071 -8.440 1.00 0.40 H new ATOM 0 HA VAL A 71 -8.230 2.392 -5.996 1.00 0.40 H new ATOM 0 HB VAL A 71 -5.975 2.065 -5.124 1.00 0.45 H new ATOM 0 HG11 VAL A 71 -5.554 -0.075 -6.408 1.00 0.52 H new ATOM 0 HG12 VAL A 71 -7.282 0.158 -6.049 1.00 0.52 H new ATOM 0 HG13 VAL A 71 -6.657 0.505 -7.679 1.00 0.52 H new ATOM 0 HG21 VAL A 71 -4.044 1.791 -6.648 1.00 0.48 H new ATOM 0 HG22 VAL A 71 -5.018 2.463 -7.977 1.00 0.48 H new ATOM 0 HG23 VAL A 71 -4.621 3.472 -6.567 1.00 0.48 H new ATOM 1068 N VAL A 72 -7.835 4.499 -4.711 1.00 0.43 N ATOM 1069 CA VAL A 72 -7.861 5.815 -4.085 1.00 0.48 C ATOM 1070 C VAL A 72 -6.537 6.001 -3.338 1.00 0.51 C ATOM 1071 O VAL A 72 -6.510 6.080 -2.114 1.00 0.76 O ATOM 1072 CB VAL A 72 -9.091 5.923 -3.161 1.00 0.57 C ATOM 1073 CG1 VAL A 72 -9.242 7.326 -2.547 1.00 0.67 C ATOM 1074 CG2 VAL A 72 -10.395 5.601 -3.904 1.00 0.66 C ATOM 0 H VAL A 72 -8.298 3.772 -4.165 1.00 0.43 H new ATOM 0 HA VAL A 72 -7.956 6.612 -4.822 1.00 0.48 H new ATOM 0 HB VAL A 72 -8.918 5.193 -2.370 1.00 0.57 H new ATOM 0 HG11 VAL A 72 -10.123 7.349 -1.905 1.00 0.67 H new ATOM 0 HG12 VAL A 72 -8.356 7.562 -1.957 1.00 0.67 H new ATOM 0 HG13 VAL A 72 -9.354 8.062 -3.344 1.00 0.67 H new ATOM 0 HG21 VAL A 72 -11.237 5.689 -3.217 1.00 0.66 H new ATOM 0 HG22 VAL A 72 -10.526 6.301 -4.729 1.00 0.66 H new ATOM 0 HG23 VAL A 72 -10.350 4.584 -4.294 1.00 0.66 H new ATOM 1084 N THR A 73 -5.427 6.052 -4.079 1.00 0.47 N ATOM 1085 CA THR A 73 -4.095 6.086 -3.489 1.00 0.51 C ATOM 1086 C THR A 73 -3.259 7.196 -4.114 1.00 0.60 C ATOM 1087 O THR A 73 -3.383 7.448 -5.310 1.00 0.68 O ATOM 1088 CB THR A 73 -3.399 4.722 -3.639 1.00 0.53 C ATOM 1089 OG1 THR A 73 -4.322 3.670 -3.839 1.00 0.63 O ATOM 1090 CG2 THR A 73 -2.666 4.432 -2.337 1.00 0.75 C ATOM 0 H THR A 73 -5.430 6.071 -5.099 1.00 0.47 H new ATOM 0 HA THR A 73 -4.196 6.298 -2.425 1.00 0.51 H new ATOM 0 HB THR A 73 -2.736 4.773 -4.502 1.00 0.53 H new ATOM 0 HG1 THR A 73 -3.841 2.859 -4.104 1.00 0.63 H new ATOM 0 HG21 THR A 73 -2.161 3.469 -2.411 1.00 0.75 H new ATOM 0 HG22 THR A 73 -1.930 5.215 -2.151 1.00 0.75 H new ATOM 0 HG23 THR A 73 -3.381 4.404 -1.515 1.00 0.75 H new ATOM 1098 N GLU A 74 -2.412 7.838 -3.300 1.00 0.64 N ATOM 1099 CA GLU A 74 -1.548 8.933 -3.707 1.00 0.72 C ATOM 1100 C GLU A 74 -0.114 8.631 -3.287 1.00 0.60 C ATOM 1101 O GLU A 74 0.107 8.043 -2.228 1.00 0.57 O ATOM 1102 CB GLU A 74 -2.026 10.233 -3.045 1.00 0.85 C ATOM 1103 CG GLU A 74 -3.315 10.765 -3.689 1.00 1.55 C ATOM 1104 CD GLU A 74 -3.092 11.348 -5.082 1.00 2.71 C ATOM 1105 OE1 GLU A 74 -1.921 11.373 -5.526 1.00 3.39 O ATOM 1106 OE2 GLU A 74 -4.104 11.779 -5.672 1.00 3.54 O ATOM 0 H GLU A 74 -2.312 7.597 -2.314 1.00 0.64 H new ATOM 0 HA GLU A 74 -1.586 9.048 -4.790 1.00 0.72 H new ATOM 0 HB2 GLU A 74 -2.197 10.058 -1.983 1.00 0.85 H new ATOM 0 HB3 GLU A 74 -1.244 10.988 -3.122 1.00 0.85 H new ATOM 0 HG2 GLU A 74 -4.043 9.956 -3.752 1.00 1.55 H new ATOM 0 HG3 GLU A 74 -3.746 11.532 -3.045 1.00 1.55 H new ATOM 1113 N LYS A 75 0.839 9.050 -4.123 1.00 0.62 N ATOM 1114 CA LYS A 75 2.268 8.939 -3.869 1.00 0.61 C ATOM 1115 C LYS A 75 2.738 10.156 -3.074 1.00 0.60 C ATOM 1116 O LYS A 75 3.106 11.181 -3.646 1.00 0.68 O ATOM 1117 CB LYS A 75 3.034 8.686 -5.179 1.00 0.77 C ATOM 1118 CG LYS A 75 2.988 9.825 -6.194 1.00 0.94 C ATOM 1119 CD LYS A 75 3.261 9.246 -7.589 1.00 1.13 C ATOM 1120 CE LYS A 75 3.296 10.334 -8.666 1.00 1.92 C ATOM 1121 NZ LYS A 75 4.414 11.278 -8.458 1.00 2.72 N ATOM 0 H LYS A 75 0.626 9.488 -5.019 1.00 0.62 H new ATOM 0 HA LYS A 75 2.484 8.069 -3.248 1.00 0.61 H new ATOM 0 HB2 LYS A 75 4.076 8.480 -4.937 1.00 0.77 H new ATOM 0 HB3 LYS A 75 2.632 7.788 -5.648 1.00 0.77 H new ATOM 0 HG2 LYS A 75 2.014 10.314 -6.171 1.00 0.94 H new ATOM 0 HG3 LYS A 75 3.731 10.583 -5.947 1.00 0.94 H new ATOM 0 HD2 LYS A 75 4.212 8.714 -7.581 1.00 1.13 H new ATOM 0 HD3 LYS A 75 2.490 8.516 -7.836 1.00 1.13 H new ATOM 0 HE2 LYS A 75 3.390 9.870 -9.648 1.00 1.92 H new ATOM 0 HE3 LYS A 75 2.353 10.881 -8.661 1.00 1.92 H new ATOM 0 HZ1 LYS A 75 4.508 11.893 -9.291 1.00 2.72 H new ATOM 0 HZ2 LYS A 75 4.225 11.860 -7.617 1.00 2.72 H new ATOM 0 HZ3 LYS A 75 5.297 10.746 -8.319 1.00 2.72 H new ATOM 1135 N ALA A 76 2.694 10.048 -1.747 1.00 0.58 N ATOM 1136 CA ALA A 76 3.108 11.123 -0.849 1.00 0.62 C ATOM 1137 C ALA A 76 4.627 11.075 -0.653 1.00 0.56 C ATOM 1138 O ALA A 76 5.225 10.024 -0.881 1.00 0.65 O ATOM 1139 CB ALA A 76 2.368 10.954 0.476 1.00 0.78 C ATOM 0 H ALA A 76 2.369 9.210 -1.264 1.00 0.58 H new ATOM 0 HA ALA A 76 2.860 12.097 -1.271 1.00 0.62 H new ATOM 0 HB1 ALA A 76 2.664 11.748 1.162 1.00 0.78 H new ATOM 0 HB2 ALA A 76 1.293 11.006 0.302 1.00 0.78 H new ATOM 0 HB3 ALA A 76 2.618 9.987 0.912 1.00 0.78 H new ATOM 1145 N GLU A 77 5.256 12.180 -0.235 1.00 0.65 N ATOM 1146 CA GLU A 77 6.691 12.260 0.020 1.00 0.61 C ATOM 1147 C GLU A 77 6.997 12.825 1.408 1.00 0.51 C ATOM 1148 O GLU A 77 6.678 13.978 1.716 1.00 0.51 O ATOM 1149 CB GLU A 77 7.394 13.147 -1.013 1.00 0.69 C ATOM 1150 CG GLU A 77 7.408 12.562 -2.428 1.00 0.88 C ATOM 1151 CD GLU A 77 8.773 12.737 -3.073 1.00 1.48 C ATOM 1152 OE1 GLU A 77 9.319 13.867 -2.985 1.00 1.95 O ATOM 1153 OE2 GLU A 77 9.264 11.715 -3.596 1.00 2.79 O ATOM 0 H GLU A 77 4.768 13.059 -0.062 1.00 0.65 H new ATOM 0 HA GLU A 77 7.062 11.237 -0.047 1.00 0.61 H new ATOM 0 HB2 GLU A 77 6.902 14.119 -1.037 1.00 0.69 H new ATOM 0 HB3 GLU A 77 8.421 13.318 -0.691 1.00 0.69 H new ATOM 0 HG2 GLU A 77 7.152 11.503 -2.391 1.00 0.88 H new ATOM 0 HG3 GLU A 77 6.648 13.053 -3.036 1.00 0.88 H new ATOM 1160 N PHE A 78 7.727 12.043 2.207 1.00 0.52 N ATOM 1161 CA PHE A 78 8.222 12.464 3.505 1.00 0.48 C ATOM 1162 C PHE A 78 9.753 12.480 3.483 1.00 0.43 C ATOM 1163 O PHE A 78 10.388 11.685 2.794 1.00 0.55 O ATOM 1164 CB PHE A 78 7.633 11.565 4.598 1.00 0.65 C ATOM 1165 CG PHE A 78 6.114 11.608 4.643 1.00 0.44 C ATOM 1166 CD1 PHE A 78 5.462 12.723 5.201 1.00 1.68 C ATOM 1167 CD2 PHE A 78 5.364 10.669 3.912 1.00 1.50 C ATOM 1168 CE1 PHE A 78 4.116 12.984 4.888 1.00 1.74 C ATOM 1169 CE2 PHE A 78 3.995 10.888 3.675 1.00 1.72 C ATOM 1170 CZ PHE A 78 3.384 12.071 4.117 1.00 1.06 C ATOM 0 H PHE A 78 7.990 11.089 1.961 1.00 0.52 H new ATOM 0 HA PHE A 78 7.900 13.480 3.734 1.00 0.48 H new ATOM 0 HB2 PHE A 78 7.958 10.538 4.431 1.00 0.65 H new ATOM 0 HB3 PHE A 78 8.029 11.871 5.566 1.00 0.65 H new ATOM 0 HD1 PHE A 78 5.996 13.380 5.871 1.00 1.68 H new ATOM 0 HD2 PHE A 78 5.841 9.778 3.532 1.00 1.50 H new ATOM 0 HE1 PHE A 78 3.646 13.889 5.242 1.00 1.74 H new ATOM 0 HE2 PHE A 78 3.413 10.144 3.152 1.00 1.72 H new ATOM 0 HZ PHE A 78 2.354 12.277 3.864 1.00 1.06 H new ATOM 1180 N ASP A 79 10.335 13.428 4.213 1.00 0.43 N ATOM 1181 CA ASP A 79 11.768 13.640 4.384 1.00 0.44 C ATOM 1182 C ASP A 79 12.163 13.030 5.736 1.00 0.55 C ATOM 1183 O ASP A 79 11.295 12.908 6.599 1.00 0.64 O ATOM 1184 CB ASP A 79 12.009 15.151 4.273 1.00 0.56 C ATOM 1185 CG ASP A 79 13.362 15.588 4.808 1.00 0.67 C ATOM 1186 OD1 ASP A 79 13.485 15.633 6.049 1.00 1.94 O ATOM 1187 OD2 ASP A 79 14.215 15.912 3.960 1.00 2.04 O ATOM 0 H ASP A 79 9.783 14.111 4.733 1.00 0.43 H new ATOM 0 HA ASP A 79 12.388 13.157 3.629 1.00 0.44 H new ATOM 0 HB2 ASP A 79 11.927 15.449 3.228 1.00 0.56 H new ATOM 0 HB3 ASP A 79 11.225 15.677 4.817 1.00 0.56 H new ATOM 1192 N ILE A 80 13.392 12.529 5.910 1.00 0.58 N ATOM 1193 CA ILE A 80 13.736 11.709 7.071 1.00 0.64 C ATOM 1194 C ILE A 80 14.891 12.325 7.863 1.00 0.70 C ATOM 1195 O ILE A 80 16.006 12.386 7.351 1.00 0.73 O ATOM 1196 CB ILE A 80 14.111 10.304 6.582 1.00 0.66 C ATOM 1197 CG1 ILE A 80 13.075 9.811 5.558 1.00 0.63 C ATOM 1198 CG2 ILE A 80 14.219 9.340 7.774 1.00 0.80 C ATOM 1199 CD1 ILE A 80 13.485 8.473 4.983 1.00 0.71 C ATOM 0 H ILE A 80 14.163 12.679 5.259 1.00 0.58 H new ATOM 0 HA ILE A 80 12.877 11.656 7.740 1.00 0.64 H new ATOM 0 HB ILE A 80 15.083 10.341 6.091 1.00 0.66 H new ATOM 0 HG12 ILE A 80 12.099 9.724 6.035 1.00 0.63 H new ATOM 0 HG13 ILE A 80 12.974 10.542 4.755 1.00 0.63 H new ATOM 0 HG21 ILE A 80 14.486 8.346 7.415 1.00 0.80 H new ATOM 0 HG22 ILE A 80 14.987 9.696 8.461 1.00 0.80 H new ATOM 0 HG23 ILE A 80 13.261 9.294 8.292 1.00 0.80 H new ATOM 0 HD11 ILE A 80 12.738 8.143 4.261 1.00 0.71 H new ATOM 0 HD12 ILE A 80 14.451 8.571 4.487 1.00 0.71 H new ATOM 0 HD13 ILE A 80 13.562 7.740 5.786 1.00 0.71 H new ATOM 1211 N GLU A 81 14.667 12.676 9.137 1.00 0.85 N ATOM 1212 CA GLU A 81 15.754 13.104 10.017 1.00 0.89 C ATOM 1213 C GLU A 81 16.052 11.932 10.951 1.00 0.95 C ATOM 1214 O GLU A 81 15.462 11.810 12.022 1.00 1.33 O ATOM 1215 CB GLU A 81 15.422 14.402 10.777 1.00 1.04 C ATOM 1216 CG GLU A 81 14.800 15.489 9.879 1.00 1.47 C ATOM 1217 CD GLU A 81 14.361 16.744 10.638 1.00 1.68 C ATOM 1218 OE1 GLU A 81 13.916 16.604 11.798 1.00 1.95 O ATOM 1219 OE2 GLU A 81 14.399 17.833 10.029 1.00 2.58 O ATOM 0 H GLU A 81 13.746 12.671 9.576 1.00 0.85 H new ATOM 0 HA GLU A 81 16.640 13.356 9.434 1.00 0.89 H new ATOM 0 HB2 GLU A 81 14.733 14.173 11.590 1.00 1.04 H new ATOM 0 HB3 GLU A 81 16.333 14.792 11.231 1.00 1.04 H new ATOM 0 HG2 GLU A 81 15.523 15.773 9.115 1.00 1.47 H new ATOM 0 HG3 GLU A 81 13.938 15.069 9.361 1.00 1.47 H new ATOM 1226 N GLY A 82 16.923 11.020 10.524 1.00 0.94 N ATOM 1227 CA GLY A 82 17.200 9.835 11.319 1.00 1.11 C ATOM 1228 C GLY A 82 18.143 8.877 10.610 1.00 1.04 C ATOM 1229 O GLY A 82 19.125 8.437 11.202 1.00 1.41 O ATOM 0 H GLY A 82 17.439 11.080 9.646 1.00 0.94 H new ATOM 0 HA2 GLY A 82 17.636 10.133 12.272 1.00 1.11 H new ATOM 0 HA3 GLY A 82 16.264 9.323 11.543 1.00 1.11 H new ATOM 1233 N MET A 83 17.860 8.538 9.347 1.00 0.88 N ATOM 1234 CA MET A 83 18.784 7.759 8.556 1.00 0.95 C ATOM 1235 C MET A 83 20.112 8.505 8.414 1.00 1.27 C ATOM 1236 O MET A 83 20.152 9.640 7.949 1.00 2.00 O ATOM 1237 CB MET A 83 18.120 7.324 7.236 1.00 1.06 C ATOM 1238 CG MET A 83 17.773 8.453 6.255 1.00 1.47 C ATOM 1239 SD MET A 83 19.090 8.985 5.135 1.00 2.47 S ATOM 1240 CE MET A 83 19.199 7.566 4.031 1.00 2.91 C ATOM 0 H MET A 83 16.999 8.795 8.864 1.00 0.88 H new ATOM 0 HA MET A 83 19.038 6.826 9.060 1.00 0.95 H new ATOM 0 HB2 MET A 83 18.784 6.622 6.732 1.00 1.06 H new ATOM 0 HB3 MET A 83 17.205 6.782 7.474 1.00 1.06 H new ATOM 0 HG2 MET A 83 16.923 8.132 5.653 1.00 1.47 H new ATOM 0 HG3 MET A 83 17.447 9.318 6.832 1.00 1.47 H new ATOM 0 HE1 MET A 83 20.007 7.722 3.316 1.00 2.91 H new ATOM 0 HE2 MET A 83 19.399 6.666 4.613 1.00 2.91 H new ATOM 0 HE3 MET A 83 18.257 7.449 3.495 1.00 2.91 H new ATOM 1285 N ALA A 87 21.444 1.786 7.507 1.00 1.20 N ATOM 1286 CA ALA A 87 20.346 1.039 6.898 1.00 0.87 C ATOM 1287 C ALA A 87 18.965 1.435 7.445 1.00 0.75 C ATOM 1288 O ALA A 87 18.025 0.642 7.412 1.00 0.75 O ATOM 1289 CB ALA A 87 20.614 -0.464 7.059 1.00 1.22 C ATOM 0 HA ALA A 87 20.312 1.293 5.838 1.00 0.87 H new ATOM 0 HB1 ALA A 87 19.799 -1.029 6.607 1.00 1.22 H new ATOM 0 HB2 ALA A 87 21.551 -0.721 6.566 1.00 1.22 H new ATOM 0 HB3 ALA A 87 20.682 -0.710 8.119 1.00 1.22 H new ATOM 1295 N CYS A 88 18.806 2.674 7.920 1.00 0.72 N ATOM 1296 CA CYS A 88 17.605 3.065 8.645 1.00 0.65 C ATOM 1297 C CYS A 88 16.439 3.132 7.663 1.00 0.59 C ATOM 1298 O CYS A 88 15.369 2.579 7.906 1.00 0.58 O ATOM 1299 CB CYS A 88 17.865 4.418 9.289 1.00 0.72 C ATOM 1300 SG CYS A 88 19.243 4.314 10.467 1.00 0.88 S ATOM 0 H CYS A 88 19.495 3.418 7.813 1.00 0.72 H new ATOM 0 HA CYS A 88 17.354 2.344 9.423 1.00 0.65 H new ATOM 0 HB2 CYS A 88 18.093 5.155 8.519 1.00 0.72 H new ATOM 0 HB3 CYS A 88 16.966 4.761 9.802 1.00 0.72 H new ATOM 0 HG CYS A 88 18.816 4.603 11.661 1.00 0.88 H new ATOM 1306 N ALA A 89 16.689 3.757 6.511 1.00 0.60 N ATOM 1307 CA ALA A 89 15.795 3.768 5.363 1.00 0.56 C ATOM 1308 C ALA A 89 15.439 2.339 4.941 1.00 0.55 C ATOM 1309 O ALA A 89 14.295 2.048 4.615 1.00 0.54 O ATOM 1310 CB ALA A 89 16.488 4.519 4.224 1.00 0.64 C ATOM 0 H ALA A 89 17.547 4.284 6.351 1.00 0.60 H new ATOM 0 HA ALA A 89 14.863 4.270 5.621 1.00 0.56 H new ATOM 0 HB1 ALA A 89 15.835 4.540 3.352 1.00 0.64 H new ATOM 0 HB2 ALA A 89 16.704 5.540 4.540 1.00 0.64 H new ATOM 0 HB3 ALA A 89 17.419 4.013 3.968 1.00 0.64 H new ATOM 1316 N ASN A 90 16.401 1.418 4.969 1.00 0.62 N ATOM 1317 CA ASN A 90 16.122 0.033 4.594 1.00 0.70 C ATOM 1318 C ASN A 90 15.186 -0.620 5.614 1.00 0.72 C ATOM 1319 O ASN A 90 14.317 -1.418 5.249 1.00 0.82 O ATOM 1320 CB ASN A 90 17.416 -0.775 4.419 1.00 0.81 C ATOM 1321 CG ASN A 90 18.035 -0.613 3.033 1.00 0.93 C ATOM 1322 OD1 ASN A 90 17.808 0.377 2.348 1.00 1.82 O ATOM 1323 ND2 ASN A 90 18.823 -1.594 2.603 1.00 1.40 N ATOM 0 H ASN A 90 17.366 1.601 5.243 1.00 0.62 H new ATOM 0 HA ASN A 90 15.618 0.039 3.628 1.00 0.70 H new ATOM 0 HB2 ASN A 90 18.138 -0.462 5.173 1.00 0.81 H new ATOM 0 HB3 ASN A 90 17.207 -1.830 4.597 1.00 0.81 H new ATOM 0 HD21 ASN A 90 19.256 -1.534 1.681 1.00 1.40 H new ATOM 0 HD22 ASN A 90 18.995 -2.407 3.195 1.00 1.40 H new ATOM 1330 N ARG A 91 15.369 -0.295 6.894 1.00 0.74 N ATOM 1331 CA ARG A 91 14.492 -0.735 7.968 1.00 0.82 C ATOM 1332 C ARG A 91 13.080 -0.166 7.793 1.00 0.74 C ATOM 1333 O ARG A 91 12.110 -0.926 7.774 1.00 0.80 O ATOM 1334 CB ARG A 91 15.120 -0.366 9.327 1.00 0.90 C ATOM 1335 CG ARG A 91 15.625 -1.608 10.072 1.00 1.17 C ATOM 1336 CD ARG A 91 14.473 -2.302 10.812 1.00 1.97 C ATOM 1337 NE ARG A 91 14.871 -3.637 11.288 1.00 2.32 N ATOM 1338 CZ ARG A 91 14.259 -4.337 12.260 1.00 3.41 C ATOM 1339 NH1 ARG A 91 13.245 -3.795 12.944 1.00 4.53 N ATOM 1340 NH2 ARG A 91 14.661 -5.583 12.538 1.00 3.93 N ATOM 0 H ARG A 91 16.142 0.289 7.213 1.00 0.74 H new ATOM 0 HA ARG A 91 14.387 -1.819 7.934 1.00 0.82 H new ATOM 0 HB2 ARG A 91 15.947 0.326 9.170 1.00 0.90 H new ATOM 0 HB3 ARG A 91 14.383 0.152 9.940 1.00 0.90 H new ATOM 0 HG2 ARG A 91 16.080 -2.302 9.366 1.00 1.17 H new ATOM 0 HG3 ARG A 91 16.400 -1.322 10.783 1.00 1.17 H new ATOM 0 HD2 ARG A 91 14.160 -1.690 11.658 1.00 1.97 H new ATOM 0 HD3 ARG A 91 13.613 -2.392 10.148 1.00 1.97 H new ATOM 0 HE ARG A 91 15.681 -4.068 10.842 1.00 2.32 H new ATOM 0 HH11 ARG A 91 12.933 -2.848 12.729 1.00 4.53 H new ATOM 0 HH12 ARG A 91 12.783 -4.329 13.680 1.00 4.53 H new ATOM 0 HH21 ARG A 91 15.430 -6.000 12.013 1.00 3.93 H new ATOM 0 HH22 ARG A 91 14.198 -6.116 13.275 1.00 3.93 H new ATOM 1354 N ILE A 92 12.949 1.157 7.661 1.00 0.65 N ATOM 1355 CA ILE A 92 11.636 1.780 7.516 1.00 0.64 C ATOM 1356 C ILE A 92 10.955 1.354 6.212 1.00 0.63 C ATOM 1357 O ILE A 92 9.737 1.196 6.197 1.00 0.65 O ATOM 1358 CB ILE A 92 11.678 3.308 7.707 1.00 0.70 C ATOM 1359 CG1 ILE A 92 12.597 4.044 6.736 1.00 1.08 C ATOM 1360 CG2 ILE A 92 12.042 3.659 9.152 1.00 1.92 C ATOM 1361 CD1 ILE A 92 11.852 5.084 5.895 1.00 1.48 C ATOM 0 H ILE A 92 13.732 1.811 7.652 1.00 0.65 H new ATOM 0 HA ILE A 92 11.013 1.408 8.329 1.00 0.64 H new ATOM 0 HB ILE A 92 10.670 3.656 7.479 1.00 0.70 H new ATOM 0 HG12 ILE A 92 13.392 4.537 7.296 1.00 1.08 H new ATOM 0 HG13 ILE A 92 13.074 3.321 6.074 1.00 1.08 H new ATOM 0 HG21 ILE A 92 12.067 4.743 9.268 1.00 1.92 H new ATOM 0 HG22 ILE A 92 11.297 3.239 9.827 1.00 1.92 H new ATOM 0 HG23 ILE A 92 13.022 3.246 9.391 1.00 1.92 H new ATOM 0 HD11 ILE A 92 12.553 5.578 5.222 1.00 1.48 H new ATOM 0 HD12 ILE A 92 11.075 4.591 5.311 1.00 1.48 H new ATOM 0 HD13 ILE A 92 11.397 5.825 6.552 1.00 1.48 H new ATOM 1373 N GLU A 93 11.720 1.102 5.145 1.00 0.65 N ATOM 1374 CA GLU A 93 11.231 0.589 3.882 1.00 0.70 C ATOM 1375 C GLU A 93 10.438 -0.679 4.158 1.00 0.76 C ATOM 1376 O GLU A 93 9.230 -0.694 3.956 1.00 0.81 O ATOM 1377 CB GLU A 93 12.423 0.369 2.940 1.00 0.77 C ATOM 1378 CG GLU A 93 12.028 -0.176 1.569 1.00 0.88 C ATOM 1379 CD GLU A 93 12.038 -1.694 1.528 1.00 1.71 C ATOM 1380 OE1 GLU A 93 13.148 -2.251 1.678 1.00 2.51 O ATOM 1381 OE2 GLU A 93 10.945 -2.286 1.409 1.00 2.71 O ATOM 0 H GLU A 93 12.728 1.258 5.147 1.00 0.65 H new ATOM 0 HA GLU A 93 10.562 1.292 3.385 1.00 0.70 H new ATOM 0 HB2 GLU A 93 12.950 1.314 2.808 1.00 0.77 H new ATOM 0 HB3 GLU A 93 13.123 -0.323 3.409 1.00 0.77 H new ATOM 0 HG2 GLU A 93 11.033 0.186 1.309 1.00 0.88 H new ATOM 0 HG3 GLU A 93 12.714 0.210 0.815 1.00 0.88 H new ATOM 1388 N LYS A 94 11.086 -1.707 4.717 1.00 0.82 N ATOM 1389 CA LYS A 94 10.421 -2.973 4.997 1.00 0.91 C ATOM 1390 C LYS A 94 9.177 -2.811 5.880 1.00 0.89 C ATOM 1391 O LYS A 94 8.333 -3.707 5.901 1.00 1.09 O ATOM 1392 CB LYS A 94 11.402 -3.985 5.619 1.00 0.99 C ATOM 1393 CG LYS A 94 11.574 -5.227 4.735 1.00 1.60 C ATOM 1394 CD LYS A 94 12.445 -4.973 3.499 1.00 1.44 C ATOM 1395 CE LYS A 94 13.937 -4.816 3.848 1.00 2.19 C ATOM 1396 NZ LYS A 94 14.448 -3.468 3.540 1.00 3.52 N ATOM 0 H LYS A 94 12.071 -1.682 4.983 1.00 0.82 H new ATOM 0 HA LYS A 94 10.077 -3.360 4.038 1.00 0.91 H new ATOM 0 HB2 LYS A 94 12.371 -3.508 5.768 1.00 0.99 H new ATOM 0 HB3 LYS A 94 11.040 -4.286 6.602 1.00 0.99 H new ATOM 0 HG2 LYS A 94 12.019 -6.027 5.327 1.00 1.60 H new ATOM 0 HG3 LYS A 94 10.592 -5.575 4.414 1.00 1.60 H new ATOM 0 HD2 LYS A 94 12.325 -5.799 2.798 1.00 1.44 H new ATOM 0 HD3 LYS A 94 12.097 -4.072 2.993 1.00 1.44 H new ATOM 0 HE2 LYS A 94 14.083 -5.023 4.908 1.00 2.19 H new ATOM 0 HE3 LYS A 94 14.516 -5.556 3.296 1.00 2.19 H new ATOM 0 HZ1 LYS A 94 15.487 -3.488 3.514 1.00 3.52 H new ATOM 0 HZ2 LYS A 94 14.085 -3.162 2.615 1.00 3.52 H new ATOM 0 HZ3 LYS A 94 14.133 -2.801 4.273 1.00 3.52 H new ATOM 1410 N ARG A 95 9.070 -1.729 6.661 1.00 0.73 N ATOM 1411 CA ARG A 95 7.785 -1.395 7.278 1.00 0.63 C ATOM 1412 C ARG A 95 6.818 -0.843 6.233 1.00 0.45 C ATOM 1413 O ARG A 95 5.851 -1.507 5.856 1.00 0.46 O ATOM 1414 CB ARG A 95 7.973 -0.412 8.442 1.00 0.71 C ATOM 1415 CG ARG A 95 8.169 -1.092 9.798 1.00 1.26 C ATOM 1416 CD ARG A 95 9.272 -2.163 9.804 1.00 1.33 C ATOM 1417 NE ARG A 95 8.778 -3.466 9.325 1.00 1.77 N ATOM 1418 CZ ARG A 95 8.021 -4.314 10.040 1.00 2.00 C ATOM 1419 NH1 ARG A 95 7.665 -3.995 11.290 1.00 2.27 N ATOM 1420 NH2 ARG A 95 7.620 -5.471 9.504 1.00 3.24 N ATOM 0 H ARG A 95 9.834 -1.088 6.875 1.00 0.73 H new ATOM 0 HA ARG A 95 7.352 -2.308 7.688 1.00 0.63 H new ATOM 0 HB2 ARG A 95 8.836 0.221 8.235 1.00 0.71 H new ATOM 0 HB3 ARG A 95 7.103 0.243 8.497 1.00 0.71 H new ATOM 0 HG2 ARG A 95 8.409 -0.333 10.543 1.00 1.26 H new ATOM 0 HG3 ARG A 95 7.229 -1.551 10.102 1.00 1.26 H new ATOM 0 HD2 ARG A 95 10.099 -1.835 9.175 1.00 1.33 H new ATOM 0 HD3 ARG A 95 9.665 -2.273 10.815 1.00 1.33 H new ATOM 0 HE ARG A 95 9.031 -3.745 8.377 1.00 1.77 H new ATOM 0 HH11 ARG A 95 7.969 -3.110 11.697 1.00 2.27 H new ATOM 0 HH12 ARG A 95 7.090 -4.637 11.836 1.00 2.27 H new ATOM 0 HH21 ARG A 95 7.889 -5.711 8.550 1.00 3.24 H new ATOM 0 HH22 ARG A 95 7.045 -6.113 10.049 1.00 3.24 H new ATOM 1434 N LEU A 96 7.088 0.387 5.791 1.00 0.37 N ATOM 1435 CA LEU A 96 6.177 1.168 4.967 1.00 0.39 C ATOM 1436 C LEU A 96 5.681 0.350 3.769 1.00 0.45 C ATOM 1437 O LEU A 96 4.490 0.361 3.482 1.00 0.55 O ATOM 1438 CB LEU A 96 6.813 2.501 4.549 1.00 0.43 C ATOM 1439 CG LEU A 96 7.167 3.476 5.697 1.00 0.41 C ATOM 1440 CD1 LEU A 96 7.191 4.898 5.131 1.00 1.25 C ATOM 1441 CD2 LEU A 96 6.192 3.446 6.873 1.00 1.64 C ATOM 0 H LEU A 96 7.961 0.872 6.001 1.00 0.37 H new ATOM 0 HA LEU A 96 5.299 1.415 5.564 1.00 0.39 H new ATOM 0 HB2 LEU A 96 7.723 2.286 3.989 1.00 0.43 H new ATOM 0 HB3 LEU A 96 6.131 3.008 3.867 1.00 0.43 H new ATOM 0 HG LEU A 96 8.135 3.159 6.086 1.00 0.41 H new ATOM 0 HD11 LEU A 96 7.439 5.602 5.926 1.00 1.25 H new ATOM 0 HD12 LEU A 96 7.940 4.963 4.342 1.00 1.25 H new ATOM 0 HD13 LEU A 96 6.211 5.143 4.722 1.00 1.25 H new ATOM 0 HD21 LEU A 96 6.515 4.159 7.632 1.00 1.64 H new ATOM 0 HD22 LEU A 96 5.194 3.713 6.525 1.00 1.64 H new ATOM 0 HD23 LEU A 96 6.170 2.444 7.302 1.00 1.64 H new ATOM 1453 N ASN A 97 6.584 -0.409 3.138 1.00 0.47 N ATOM 1454 CA ASN A 97 6.366 -1.373 2.057 1.00 0.63 C ATOM 1455 C ASN A 97 4.990 -2.044 2.123 1.00 0.73 C ATOM 1456 O ASN A 97 4.328 -2.159 1.095 1.00 0.83 O ATOM 1457 CB ASN A 97 7.511 -2.402 2.084 1.00 0.77 C ATOM 1458 CG ASN A 97 7.613 -3.321 0.868 1.00 1.02 C ATOM 1459 OD1 ASN A 97 6.697 -4.067 0.540 1.00 1.36 O ATOM 1460 ND2 ASN A 97 8.776 -3.351 0.227 1.00 1.48 N ATOM 0 H ASN A 97 7.570 -0.359 3.394 1.00 0.47 H new ATOM 0 HA ASN A 97 6.373 -0.840 1.106 1.00 0.63 H new ATOM 0 HB2 ASN A 97 8.454 -1.865 2.189 1.00 0.77 H new ATOM 0 HB3 ASN A 97 7.396 -3.021 2.974 1.00 0.77 H new ATOM 0 HD21 ASN A 97 8.915 -4.000 -0.548 1.00 1.48 H new ATOM 0 HD22 ASN A 97 9.530 -2.725 0.509 1.00 1.48 H new ATOM 1467 N LYS A 98 4.543 -2.459 3.318 1.00 0.68 N ATOM 1468 CA LYS A 98 3.142 -2.815 3.541 1.00 0.62 C ATOM 1469 C LYS A 98 2.795 -2.816 5.037 1.00 0.66 C ATOM 1470 O LYS A 98 2.767 -3.878 5.652 1.00 0.79 O ATOM 1471 CB LYS A 98 2.757 -4.137 2.848 1.00 0.65 C ATOM 1472 CG LYS A 98 3.684 -5.286 3.262 1.00 0.83 C ATOM 1473 CD LYS A 98 4.511 -5.841 2.099 1.00 2.17 C ATOM 1474 CE LYS A 98 5.815 -6.425 2.659 1.00 3.32 C ATOM 1475 NZ LYS A 98 6.545 -7.227 1.657 1.00 4.47 N ATOM 0 H LYS A 98 5.136 -2.555 4.143 1.00 0.68 H new ATOM 0 HA LYS A 98 2.535 -2.041 3.072 1.00 0.62 H new ATOM 0 HB2 LYS A 98 1.727 -4.392 3.098 1.00 0.65 H new ATOM 0 HB3 LYS A 98 2.800 -4.007 1.767 1.00 0.65 H new ATOM 0 HG2 LYS A 98 4.358 -4.937 4.045 1.00 0.83 H new ATOM 0 HG3 LYS A 98 3.086 -6.090 3.691 1.00 0.83 H new ATOM 0 HD2 LYS A 98 3.949 -6.610 1.569 1.00 2.17 H new ATOM 0 HD3 LYS A 98 4.729 -5.052 1.379 1.00 2.17 H new ATOM 0 HE2 LYS A 98 6.454 -5.613 3.007 1.00 3.32 H new ATOM 0 HE3 LYS A 98 5.590 -7.047 3.525 1.00 3.32 H new ATOM 0 HZ1 LYS A 98 7.418 -7.601 2.081 1.00 4.47 H new ATOM 0 HZ2 LYS A 98 5.947 -8.018 1.343 1.00 4.47 H new ATOM 0 HZ3 LYS A 98 6.785 -6.628 0.841 1.00 4.47 H new ATOM 1489 N ILE A 99 2.503 -1.646 5.620 1.00 0.65 N ATOM 1490 CA ILE A 99 1.875 -1.590 6.946 1.00 0.78 C ATOM 1491 C ILE A 99 0.471 -2.199 6.854 1.00 0.90 C ATOM 1492 O ILE A 99 0.265 -3.344 7.249 1.00 1.33 O ATOM 1493 CB ILE A 99 1.875 -0.156 7.522 1.00 0.85 C ATOM 1494 CG1 ILE A 99 3.325 0.288 7.779 1.00 0.81 C ATOM 1495 CG2 ILE A 99 1.075 -0.082 8.837 1.00 1.07 C ATOM 1496 CD1 ILE A 99 3.424 1.732 8.278 1.00 1.81 C ATOM 0 H ILE A 99 2.689 -0.735 5.200 1.00 0.65 H new ATOM 0 HA ILE A 99 2.459 -2.180 7.653 1.00 0.78 H new ATOM 0 HB ILE A 99 1.401 0.506 6.797 1.00 0.85 H new ATOM 0 HG12 ILE A 99 3.779 -0.377 8.513 1.00 0.81 H new ATOM 0 HG13 ILE A 99 3.900 0.186 6.858 1.00 0.81 H new ATOM 0 HG21 ILE A 99 1.094 0.939 9.217 1.00 1.07 H new ATOM 0 HG22 ILE A 99 0.043 -0.382 8.653 1.00 1.07 H new ATOM 0 HG23 ILE A 99 1.521 -0.751 9.573 1.00 1.07 H new ATOM 0 HD11 ILE A 99 4.470 1.989 8.442 1.00 1.81 H new ATOM 0 HD12 ILE A 99 2.997 2.404 7.534 1.00 1.81 H new ATOM 0 HD13 ILE A 99 2.875 1.832 9.214 1.00 1.81 H new ATOM 1508 N GLU A 100 -0.478 -1.432 6.310 1.00 0.72 N ATOM 1509 CA GLU A 100 -1.820 -1.888 5.989 1.00 0.77 C ATOM 1510 C GLU A 100 -2.118 -1.452 4.559 1.00 0.65 C ATOM 1511 O GLU A 100 -1.689 -2.109 3.610 1.00 0.86 O ATOM 1512 CB GLU A 100 -2.847 -1.361 7.007 1.00 0.95 C ATOM 1513 CG GLU A 100 -2.982 -2.289 8.221 1.00 1.16 C ATOM 1514 CD GLU A 100 -4.190 -1.921 9.078 1.00 1.86 C ATOM 1515 OE1 GLU A 100 -5.279 -1.777 8.481 1.00 2.80 O ATOM 1516 OE2 GLU A 100 -4.006 -1.809 10.308 1.00 2.35 O ATOM 0 H GLU A 100 -0.323 -0.451 6.077 1.00 0.72 H new ATOM 0 HA GLU A 100 -1.890 -2.974 6.053 1.00 0.77 H new ATOM 0 HB2 GLU A 100 -2.549 -0.368 7.342 1.00 0.95 H new ATOM 0 HB3 GLU A 100 -3.817 -1.256 6.522 1.00 0.95 H new ATOM 0 HG2 GLU A 100 -3.076 -3.321 7.882 1.00 1.16 H new ATOM 0 HG3 GLU A 100 -2.076 -2.233 8.825 1.00 1.16 H new ATOM 1523 N GLY A 101 -2.806 -0.322 4.382 1.00 0.60 N ATOM 1524 CA GLY A 101 -3.255 0.111 3.073 1.00 0.56 C ATOM 1525 C GLY A 101 -2.156 0.850 2.325 1.00 0.56 C ATOM 1526 O GLY A 101 -2.389 1.944 1.818 1.00 0.67 O ATOM 0 H GLY A 101 -3.062 0.309 5.141 1.00 0.60 H new ATOM 0 HA2 GLY A 101 -3.574 -0.754 2.492 1.00 0.56 H new ATOM 0 HA3 GLY A 101 -4.124 0.761 3.181 1.00 0.56 H new ATOM 1530 N VAL A 102 -0.964 0.258 2.256 1.00 0.57 N ATOM 1531 CA VAL A 102 0.168 0.807 1.530 1.00 0.56 C ATOM 1532 C VAL A 102 0.360 -0.026 0.271 1.00 0.56 C ATOM 1533 O VAL A 102 0.531 -1.242 0.353 1.00 0.57 O ATOM 1534 CB VAL A 102 1.429 0.866 2.406 1.00 0.56 C ATOM 1535 CG1 VAL A 102 2.529 1.627 1.652 1.00 0.58 C ATOM 1536 CG2 VAL A 102 1.167 1.520 3.771 1.00 0.57 C ATOM 0 H VAL A 102 -0.760 -0.631 2.712 1.00 0.57 H new ATOM 0 HA VAL A 102 -0.027 1.841 1.247 1.00 0.56 H new ATOM 0 HB VAL A 102 1.747 -0.157 2.606 1.00 0.56 H new ATOM 0 HG11 VAL A 102 3.427 1.673 2.268 1.00 0.58 H new ATOM 0 HG12 VAL A 102 2.755 1.111 0.719 1.00 0.58 H new ATOM 0 HG13 VAL A 102 2.187 2.639 1.433 1.00 0.58 H new ATOM 0 HG21 VAL A 102 2.090 1.536 4.350 1.00 0.57 H new ATOM 0 HG22 VAL A 102 0.813 2.540 3.624 1.00 0.57 H new ATOM 0 HG23 VAL A 102 0.411 0.948 4.309 1.00 0.57 H new ATOM 1546 N ALA A 103 0.313 0.630 -0.889 1.00 0.57 N ATOM 1547 CA ALA A 103 0.651 -0.007 -2.143 1.00 0.59 C ATOM 1548 C ALA A 103 2.159 -0.212 -2.190 1.00 0.62 C ATOM 1549 O ALA A 103 2.612 -1.332 -2.396 1.00 0.68 O ATOM 1550 CB ALA A 103 0.181 0.823 -3.338 1.00 0.64 C ATOM 0 H ALA A 103 0.041 1.609 -0.976 1.00 0.57 H new ATOM 0 HA ALA A 103 0.142 -0.969 -2.205 1.00 0.59 H new ATOM 0 HB1 ALA A 103 0.452 0.314 -4.263 1.00 0.64 H new ATOM 0 HB2 ALA A 103 -0.901 0.944 -3.294 1.00 0.64 H new ATOM 0 HB3 ALA A 103 0.657 1.803 -3.310 1.00 0.64 H new ATOM 1556 N ASN A 104 2.933 0.864 -2.008 1.00 0.59 N ATOM 1557 CA ASN A 104 4.390 0.822 -2.152 1.00 0.63 C ATOM 1558 C ASN A 104 5.023 1.904 -1.288 1.00 0.56 C ATOM 1559 O ASN A 104 4.328 2.773 -0.761 1.00 0.55 O ATOM 1560 CB ASN A 104 4.846 1.043 -3.607 1.00 0.73 C ATOM 1561 CG ASN A 104 4.170 0.129 -4.620 1.00 0.69 C ATOM 1562 OD1 ASN A 104 4.468 -1.060 -4.696 1.00 0.84 O ATOM 1563 ND2 ASN A 104 3.265 0.682 -5.414 1.00 0.63 N ATOM 0 H ASN A 104 2.568 1.783 -1.758 1.00 0.59 H new ATOM 0 HA ASN A 104 4.709 -0.172 -1.838 1.00 0.63 H new ATOM 0 HB2 ASN A 104 4.651 2.079 -3.883 1.00 0.73 H new ATOM 0 HB3 ASN A 104 5.924 0.895 -3.664 1.00 0.73 H new ATOM 0 HD21 ASN A 104 2.790 0.116 -6.118 1.00 0.63 H new ATOM 0 HD22 ASN A 104 3.043 1.673 -5.322 1.00 0.63 H new ATOM 1570 N ALA A 105 6.355 1.875 -1.185 1.00 0.51 N ATOM 1571 CA ALA A 105 7.110 2.889 -0.456 1.00 0.45 C ATOM 1572 C ALA A 105 8.599 2.913 -0.834 1.00 0.46 C ATOM 1573 O ALA A 105 9.429 2.472 -0.042 1.00 0.52 O ATOM 1574 CB ALA A 105 6.931 2.686 1.055 1.00 0.46 C ATOM 0 H ALA A 105 6.935 1.149 -1.605 1.00 0.51 H new ATOM 0 HA ALA A 105 6.708 3.861 -0.742 1.00 0.45 H new ATOM 0 HB1 ALA A 105 7.497 3.446 1.594 1.00 0.46 H new ATOM 0 HB2 ALA A 105 5.875 2.771 1.311 1.00 0.46 H new ATOM 0 HB3 ALA A 105 7.294 1.697 1.335 1.00 0.46 H new ATOM 1580 N PRO A 106 8.966 3.400 -2.030 1.00 0.45 N ATOM 1581 CA PRO A 106 10.363 3.501 -2.422 1.00 0.47 C ATOM 1582 C PRO A 106 11.072 4.615 -1.635 1.00 0.43 C ATOM 1583 O PRO A 106 10.498 5.675 -1.377 1.00 0.44 O ATOM 1584 CB PRO A 106 10.353 3.739 -3.934 1.00 0.51 C ATOM 1585 CG PRO A 106 8.994 4.388 -4.204 1.00 0.50 C ATOM 1586 CD PRO A 106 8.084 3.859 -3.092 1.00 0.45 C ATOM 0 HA PRO A 106 10.927 2.597 -2.192 1.00 0.47 H new ATOM 0 HB2 PRO A 106 11.172 4.389 -4.240 1.00 0.51 H new ATOM 0 HB3 PRO A 106 10.465 2.805 -4.485 1.00 0.51 H new ATOM 0 HG2 PRO A 106 9.062 5.476 -4.177 1.00 0.50 H new ATOM 0 HG3 PRO A 106 8.614 4.117 -5.189 1.00 0.50 H new ATOM 0 HD2 PRO A 106 7.415 4.640 -2.732 1.00 0.45 H new ATOM 0 HD3 PRO A 106 7.457 3.045 -3.456 1.00 0.45 H new ATOM 1594 N VAL A 107 12.324 4.357 -1.240 1.00 0.47 N ATOM 1595 CA VAL A 107 13.111 5.217 -0.364 1.00 0.45 C ATOM 1596 C VAL A 107 14.398 5.621 -1.078 1.00 0.60 C ATOM 1597 O VAL A 107 14.942 4.824 -1.843 1.00 0.73 O ATOM 1598 CB VAL A 107 13.402 4.488 0.964 1.00 0.56 C ATOM 1599 CG1 VAL A 107 13.872 5.486 2.029 1.00 1.75 C ATOM 1600 CG2 VAL A 107 12.162 3.757 1.496 1.00 2.37 C ATOM 0 H VAL A 107 12.827 3.519 -1.532 1.00 0.47 H new ATOM 0 HA VAL A 107 12.552 6.123 -0.128 1.00 0.45 H new ATOM 0 HB VAL A 107 14.183 3.756 0.760 1.00 0.56 H new ATOM 0 HG11 VAL A 107 14.073 4.956 2.960 1.00 1.75 H new ATOM 0 HG12 VAL A 107 14.782 5.980 1.688 1.00 1.75 H new ATOM 0 HG13 VAL A 107 13.095 6.232 2.197 1.00 1.75 H new ATOM 0 HG21 VAL A 107 12.409 3.256 2.432 1.00 2.37 H new ATOM 0 HG22 VAL A 107 11.362 4.477 1.669 1.00 2.37 H new ATOM 0 HG23 VAL A 107 11.834 3.018 0.765 1.00 2.37 H new ATOM 1610 N ASN A 108 14.888 6.844 -0.843 1.00 0.66 N ATOM 1611 CA ASN A 108 16.138 7.328 -1.413 1.00 0.90 C ATOM 1612 C ASN A 108 17.188 7.448 -0.320 1.00 1.01 C ATOM 1613 O ASN A 108 16.867 7.567 0.860 1.00 1.97 O ATOM 1614 CB ASN A 108 15.950 8.702 -2.059 1.00 0.93 C ATOM 1615 CG ASN A 108 15.028 8.679 -3.275 1.00 1.14 C ATOM 1616 OD1 ASN A 108 14.032 9.391 -3.322 1.00 1.40 O ATOM 1617 ND2 ASN A 108 15.362 7.883 -4.288 1.00 2.17 N ATOM 0 H ASN A 108 14.420 7.526 -0.246 1.00 0.66 H new ATOM 0 HA ASN A 108 16.459 6.616 -2.173 1.00 0.90 H new ATOM 0 HB2 ASN A 108 15.545 9.391 -1.318 1.00 0.93 H new ATOM 0 HB3 ASN A 108 16.923 9.091 -2.358 1.00 0.93 H new ATOM 0 HD21 ASN A 108 14.784 7.856 -5.128 1.00 2.17 H new ATOM 0 HD22 ASN A 108 16.196 7.300 -4.225 1.00 2.17 H new ATOM 1624 N PHE A 109 18.452 7.463 -0.744 1.00 0.97 N ATOM 1625 CA PHE A 109 19.614 7.557 0.130 1.00 0.96 C ATOM 1626 C PHE A 109 20.485 8.766 -0.220 1.00 1.09 C ATOM 1627 O PHE A 109 21.651 8.830 0.158 1.00 1.56 O ATOM 1628 CB PHE A 109 20.416 6.263 -0.011 1.00 0.98 C ATOM 1629 CG PHE A 109 20.776 5.632 1.315 1.00 1.13 C ATOM 1630 CD1 PHE A 109 21.862 6.128 2.058 1.00 2.34 C ATOM 1631 CD2 PHE A 109 19.921 4.669 1.881 1.00 1.82 C ATOM 1632 CE1 PHE A 109 22.089 5.664 3.364 1.00 2.55 C ATOM 1633 CE2 PHE A 109 20.185 4.164 3.164 1.00 1.94 C ATOM 1634 CZ PHE A 109 21.270 4.658 3.906 1.00 1.67 C ATOM 0 H PHE A 109 18.699 7.408 -1.732 1.00 0.97 H new ATOM 0 HA PHE A 109 19.283 7.692 1.160 1.00 0.96 H new ATOM 0 HB2 PHE A 109 19.840 5.549 -0.600 1.00 0.98 H new ATOM 0 HB3 PHE A 109 21.331 6.470 -0.567 1.00 0.98 H new ATOM 0 HD1 PHE A 109 22.521 6.865 1.625 1.00 2.34 H new ATOM 0 HD2 PHE A 109 19.062 4.318 1.329 1.00 1.82 H new ATOM 0 HE1 PHE A 109 22.893 6.080 3.952 1.00 2.55 H new ATOM 0 HE2 PHE A 109 19.553 3.394 3.581 1.00 1.94 H new ATOM 0 HZ PHE A 109 21.475 4.266 4.891 1.00 1.67 H new ATOM 1644 N ALA A 110 19.923 9.688 -1.000 1.00 0.93 N ATOM 1645 CA ALA A 110 20.622 10.843 -1.553 1.00 0.98 C ATOM 1646 C ALA A 110 19.848 12.106 -1.202 1.00 0.89 C ATOM 1647 O ALA A 110 20.412 13.085 -0.729 1.00 1.12 O ATOM 1648 CB ALA A 110 20.759 10.679 -3.070 1.00 1.14 C ATOM 0 H ALA A 110 18.941 9.649 -1.271 1.00 0.93 H new ATOM 0 HA ALA A 110 21.623 10.920 -1.129 1.00 0.98 H new ATOM 0 HB1 ALA A 110 21.281 11.542 -3.484 1.00 1.14 H new ATOM 0 HB2 ALA A 110 21.325 9.773 -3.288 1.00 1.14 H new ATOM 0 HB3 ALA A 110 19.768 10.605 -3.519 1.00 1.14 H new ATOM 1654 N LEU A 111 18.533 12.060 -1.427 1.00 0.78 N ATOM 1655 CA LEU A 111 17.626 13.111 -1.003 1.00 0.87 C ATOM 1656 C LEU A 111 17.349 13.010 0.502 1.00 0.72 C ATOM 1657 O LEU A 111 16.935 13.998 1.097 1.00 0.75 O ATOM 1658 CB LEU A 111 16.312 13.001 -1.785 1.00 1.11 C ATOM 1659 CG LEU A 111 16.456 12.798 -3.302 1.00 1.11 C ATOM 1660 CD1 LEU A 111 15.065 12.822 -3.944 1.00 1.40 C ATOM 1661 CD2 LEU A 111 17.334 13.875 -3.951 1.00 1.11 C ATOM 0 H LEU A 111 18.073 11.288 -1.910 1.00 0.78 H new ATOM 0 HA LEU A 111 18.089 14.077 -1.204 1.00 0.87 H new ATOM 0 HB2 LEU A 111 15.737 12.169 -1.378 1.00 1.11 H new ATOM 0 HB3 LEU A 111 15.730 13.906 -1.611 1.00 1.11 H new ATOM 0 HG LEU A 111 16.942 11.836 -3.466 1.00 1.11 H new ATOM 0 HD11 LEU A 111 15.159 12.679 -5.020 1.00 1.40 H new ATOM 0 HD12 LEU A 111 14.456 12.022 -3.523 1.00 1.40 H new ATOM 0 HD13 LEU A 111 14.589 13.783 -3.746 1.00 1.40 H new ATOM 0 HD21 LEU A 111 17.406 13.689 -5.023 1.00 1.11 H new ATOM 0 HD22 LEU A 111 16.891 14.856 -3.782 1.00 1.11 H new ATOM 0 HD23 LEU A 111 18.331 13.846 -3.510 1.00 1.11 H new ATOM 1673 N GLU A 112 17.511 11.808 1.079 1.00 0.66 N ATOM 1674 CA GLU A 112 17.188 11.473 2.466 1.00 0.64 C ATOM 1675 C GLU A 112 15.663 11.470 2.674 1.00 0.52 C ATOM 1676 O GLU A 112 15.138 12.008 3.650 1.00 0.55 O ATOM 1677 CB GLU A 112 17.982 12.358 3.446 1.00 0.83 C ATOM 1678 CG GLU A 112 19.497 12.217 3.198 1.00 1.10 C ATOM 1679 CD GLU A 112 20.338 13.209 3.996 1.00 1.77 C ATOM 1680 OE1 GLU A 112 19.824 13.726 5.010 1.00 2.78 O ATOM 1681 OE2 GLU A 112 21.497 13.421 3.577 1.00 2.43 O ATOM 0 H GLU A 112 17.888 11.012 0.565 1.00 0.66 H new ATOM 0 HA GLU A 112 17.511 10.456 2.690 1.00 0.64 H new ATOM 0 HB2 GLU A 112 17.684 13.400 3.327 1.00 0.83 H new ATOM 0 HB3 GLU A 112 17.748 12.074 4.472 1.00 0.83 H new ATOM 0 HG2 GLU A 112 19.806 11.203 3.452 1.00 1.10 H new ATOM 0 HG3 GLU A 112 19.698 12.354 2.136 1.00 1.10 H new ATOM 1688 N THR A 113 14.951 10.837 1.730 1.00 0.51 N ATOM 1689 CA THR A 113 13.499 10.876 1.612 1.00 0.46 C ATOM 1690 C THR A 113 12.910 9.471 1.504 1.00 0.52 C ATOM 1691 O THR A 113 13.590 8.535 1.079 1.00 0.61 O ATOM 1692 CB THR A 113 13.124 11.657 0.346 1.00 0.63 C ATOM 1693 OG1 THR A 113 13.703 11.020 -0.775 1.00 0.96 O ATOM 1694 CG2 THR A 113 13.648 13.089 0.405 1.00 0.67 C ATOM 0 H THR A 113 15.391 10.267 1.008 1.00 0.51 H new ATOM 0 HA THR A 113 13.098 11.355 2.505 1.00 0.46 H new ATOM 0 HB THR A 113 12.037 11.680 0.269 1.00 0.63 H new ATOM 0 HG1 THR A 113 13.467 11.512 -1.589 1.00 0.96 H new ATOM 0 HG21 THR A 113 13.367 13.617 -0.506 1.00 0.67 H new ATOM 0 HG22 THR A 113 13.218 13.598 1.267 1.00 0.67 H new ATOM 0 HG23 THR A 113 14.734 13.076 0.496 1.00 0.67 H new ATOM 1702 N VAL A 114 11.618 9.355 1.831 1.00 0.52 N ATOM 1703 CA VAL A 114 10.775 8.219 1.510 1.00 0.54 C ATOM 1704 C VAL A 114 9.542 8.713 0.756 1.00 0.49 C ATOM 1705 O VAL A 114 8.798 9.557 1.260 1.00 0.44 O ATOM 1706 CB VAL A 114 10.422 7.404 2.768 1.00 0.55 C ATOM 1707 CG1 VAL A 114 9.815 8.226 3.912 1.00 0.52 C ATOM 1708 CG2 VAL A 114 9.476 6.255 2.405 1.00 0.57 C ATOM 0 H VAL A 114 11.121 10.082 2.346 1.00 0.52 H new ATOM 0 HA VAL A 114 11.317 7.531 0.861 1.00 0.54 H new ATOM 0 HB VAL A 114 11.372 7.022 3.141 1.00 0.55 H new ATOM 0 HG11 VAL A 114 9.598 7.571 4.756 1.00 0.52 H new ATOM 0 HG12 VAL A 114 10.522 8.995 4.222 1.00 0.52 H new ATOM 0 HG13 VAL A 114 8.893 8.697 3.572 1.00 0.52 H new ATOM 0 HG21 VAL A 114 9.234 5.686 3.302 1.00 0.57 H new ATOM 0 HG22 VAL A 114 8.560 6.660 1.974 1.00 0.57 H new ATOM 0 HG23 VAL A 114 9.960 5.600 1.680 1.00 0.57 H new ATOM 1718 N THR A 115 9.321 8.172 -0.441 1.00 0.54 N ATOM 1719 CA THR A 115 8.046 8.286 -1.123 1.00 0.54 C ATOM 1720 C THR A 115 7.184 7.145 -0.571 1.00 0.55 C ATOM 1721 O THR A 115 7.687 6.039 -0.379 1.00 0.75 O ATOM 1722 CB THR A 115 8.273 8.148 -2.634 1.00 0.67 C ATOM 1723 OG1 THR A 115 9.300 9.013 -3.103 1.00 0.76 O ATOM 1724 CG2 THR A 115 6.988 8.348 -3.445 1.00 0.75 C ATOM 0 H THR A 115 10.023 7.644 -0.959 1.00 0.54 H new ATOM 0 HA THR A 115 7.557 9.247 -0.960 1.00 0.54 H new ATOM 0 HB THR A 115 8.601 7.120 -2.790 1.00 0.67 H new ATOM 0 HG1 THR A 115 8.952 9.927 -3.171 1.00 0.76 H new ATOM 0 HG21 THR A 115 7.207 8.239 -4.507 1.00 0.75 H new ATOM 0 HG22 THR A 115 6.251 7.602 -3.149 1.00 0.75 H new ATOM 0 HG23 THR A 115 6.591 9.345 -3.257 1.00 0.75 H new ATOM 1732 N VAL A 116 5.906 7.391 -0.291 1.00 0.52 N ATOM 1733 CA VAL A 116 4.979 6.382 0.209 1.00 0.60 C ATOM 1734 C VAL A 116 3.671 6.462 -0.578 1.00 0.53 C ATOM 1735 O VAL A 116 3.020 7.505 -0.614 1.00 0.53 O ATOM 1736 CB VAL A 116 4.826 6.506 1.735 1.00 0.80 C ATOM 1737 CG1 VAL A 116 4.249 7.855 2.159 1.00 0.87 C ATOM 1738 CG2 VAL A 116 3.977 5.371 2.316 1.00 0.94 C ATOM 0 H VAL A 116 5.481 8.311 -0.407 1.00 0.52 H new ATOM 0 HA VAL A 116 5.368 5.377 0.046 1.00 0.60 H new ATOM 0 HB VAL A 116 5.835 6.431 2.141 1.00 0.80 H new ATOM 0 HG11 VAL A 116 4.162 7.889 3.245 1.00 0.87 H new ATOM 0 HG12 VAL A 116 4.909 8.655 1.823 1.00 0.87 H new ATOM 0 HG13 VAL A 116 3.263 7.986 1.712 1.00 0.87 H new ATOM 0 HG21 VAL A 116 3.893 5.495 3.396 1.00 0.94 H new ATOM 0 HG22 VAL A 116 2.983 5.395 1.870 1.00 0.94 H new ATOM 0 HG23 VAL A 116 4.450 4.414 2.097 1.00 0.94 H new ATOM 1748 N GLU A 117 3.310 5.357 -1.234 1.00 0.56 N ATOM 1749 CA GLU A 117 2.079 5.210 -1.986 1.00 0.58 C ATOM 1750 C GLU A 117 1.108 4.436 -1.113 1.00 0.59 C ATOM 1751 O GLU A 117 1.180 3.206 -1.070 1.00 0.58 O ATOM 1752 CB GLU A 117 2.360 4.428 -3.274 1.00 0.68 C ATOM 1753 CG GLU A 117 2.987 5.339 -4.324 1.00 0.97 C ATOM 1754 CD GLU A 117 3.378 4.607 -5.598 1.00 1.84 C ATOM 1755 OE1 GLU A 117 3.284 3.359 -5.594 1.00 2.47 O ATOM 1756 OE2 GLU A 117 3.768 5.314 -6.551 1.00 2.83 O ATOM 0 H GLU A 117 3.890 4.518 -1.252 1.00 0.56 H new ATOM 0 HA GLU A 117 1.664 6.182 -2.254 1.00 0.58 H new ATOM 0 HB2 GLU A 117 3.028 3.594 -3.062 1.00 0.68 H new ATOM 0 HB3 GLU A 117 1.433 4.004 -3.659 1.00 0.68 H new ATOM 0 HG2 GLU A 117 2.284 6.135 -4.571 1.00 0.97 H new ATOM 0 HG3 GLU A 117 3.871 5.815 -3.901 1.00 0.97 H new ATOM 1763 N TYR A 118 0.221 5.135 -0.405 1.00 0.63 N ATOM 1764 CA TYR A 118 -0.681 4.513 0.548 1.00 0.64 C ATOM 1765 C TYR A 118 -2.016 5.232 0.567 1.00 0.67 C ATOM 1766 O TYR A 118 -2.098 6.405 0.203 1.00 0.82 O ATOM 1767 CB TYR A 118 -0.068 4.515 1.952 1.00 0.64 C ATOM 1768 CG TYR A 118 -0.171 5.836 2.690 1.00 0.64 C ATOM 1769 CD1 TYR A 118 0.522 6.971 2.228 1.00 1.97 C ATOM 1770 CD2 TYR A 118 -1.087 5.964 3.749 1.00 1.95 C ATOM 1771 CE1 TYR A 118 0.317 8.221 2.839 1.00 2.01 C ATOM 1772 CE2 TYR A 118 -1.293 7.212 4.353 1.00 1.87 C ATOM 1773 CZ TYR A 118 -0.600 8.342 3.894 1.00 0.53 C ATOM 1774 OH TYR A 118 -0.861 9.562 4.440 1.00 0.56 O ATOM 0 H TYR A 118 0.112 6.146 -0.480 1.00 0.63 H new ATOM 0 HA TYR A 118 -0.842 3.481 0.237 1.00 0.64 H new ATOM 0 HB2 TYR A 118 -0.556 3.743 2.547 1.00 0.64 H new ATOM 0 HB3 TYR A 118 0.984 4.240 1.874 1.00 0.64 H new ATOM 0 HD1 TYR A 118 1.213 6.882 1.403 1.00 1.97 H new ATOM 0 HD2 TYR A 118 -1.633 5.100 4.098 1.00 1.95 H new ATOM 0 HE1 TYR A 118 0.865 9.087 2.497 1.00 2.01 H new ATOM 0 HE2 TYR A 118 -1.988 7.304 5.175 1.00 1.87 H new ATOM 0 HH TYR A 118 -1.782 9.580 4.775 1.00 0.56 H new ATOM 1784 N ASN A 119 -3.064 4.508 0.948 1.00 0.60 N ATOM 1785 CA ASN A 119 -4.426 4.993 0.868 1.00 0.58 C ATOM 1786 C ASN A 119 -4.627 5.971 2.015 1.00 0.55 C ATOM 1787 O ASN A 119 -4.616 5.533 3.165 1.00 0.62 O ATOM 1788 CB ASN A 119 -5.397 3.805 0.964 1.00 0.65 C ATOM 1789 CG ASN A 119 -6.669 4.077 0.176 1.00 0.93 C ATOM 1790 OD1 ASN A 119 -6.940 3.389 -0.804 1.00 2.32 O ATOM 1791 ND2 ASN A 119 -7.439 5.091 0.556 1.00 2.02 N ATOM 0 H ASN A 119 -2.985 3.563 1.323 1.00 0.60 H new ATOM 0 HA ASN A 119 -4.618 5.498 -0.079 1.00 0.58 H new ATOM 0 HB2 ASN A 119 -4.915 2.905 0.584 1.00 0.65 H new ATOM 0 HB3 ASN A 119 -5.645 3.617 2.009 1.00 0.65 H new ATOM 0 HD21 ASN A 119 -8.282 5.316 0.029 1.00 2.02 H new ATOM 0 HD22 ASN A 119 -7.187 5.644 1.375 1.00 2.02 H new ATOM 1798 N PRO A 120 -4.853 7.273 1.769 1.00 0.53 N ATOM 1799 CA PRO A 120 -4.982 8.247 2.842 1.00 0.53 C ATOM 1800 C PRO A 120 -6.387 8.197 3.453 1.00 0.57 C ATOM 1801 O PRO A 120 -6.995 9.231 3.729 1.00 0.85 O ATOM 1802 CB PRO A 120 -4.666 9.587 2.171 1.00 0.58 C ATOM 1803 CG PRO A 120 -5.263 9.398 0.775 1.00 0.60 C ATOM 1804 CD PRO A 120 -4.966 7.928 0.473 1.00 0.57 C ATOM 0 HA PRO A 120 -4.311 8.060 3.681 1.00 0.53 H new ATOM 0 HB2 PRO A 120 -5.122 10.424 2.699 1.00 0.58 H new ATOM 0 HB3 PRO A 120 -3.594 9.780 2.133 1.00 0.58 H new ATOM 0 HG2 PRO A 120 -6.333 9.605 0.762 1.00 0.60 H new ATOM 0 HG3 PRO A 120 -4.801 10.062 0.045 1.00 0.60 H new ATOM 0 HD2 PRO A 120 -5.763 7.482 -0.123 1.00 0.57 H new ATOM 0 HD3 PRO A 120 -4.044 7.825 -0.099 1.00 0.57 H new ATOM 1812 N LYS A 121 -6.926 6.985 3.617 1.00 0.80 N ATOM 1813 CA LYS A 121 -8.192 6.717 4.272 1.00 0.84 C ATOM 1814 C LYS A 121 -7.960 5.667 5.356 1.00 0.85 C ATOM 1815 O LYS A 121 -8.172 5.936 6.536 1.00 1.06 O ATOM 1816 CB LYS A 121 -9.206 6.253 3.222 1.00 0.97 C ATOM 1817 CG LYS A 121 -9.322 7.246 2.061 1.00 1.59 C ATOM 1818 CD LYS A 121 -10.141 8.468 2.483 1.00 2.57 C ATOM 1819 CE LYS A 121 -10.383 9.392 1.286 1.00 3.96 C ATOM 1820 NZ LYS A 121 -11.232 10.543 1.655 1.00 4.97 N ATOM 0 H LYS A 121 -6.468 6.137 3.281 1.00 0.80 H new ATOM 0 HA LYS A 121 -8.595 7.612 4.746 1.00 0.84 H new ATOM 0 HB2 LYS A 121 -8.909 5.277 2.837 1.00 0.97 H new ATOM 0 HB3 LYS A 121 -10.182 6.127 3.691 1.00 0.97 H new ATOM 0 HG2 LYS A 121 -8.328 7.559 1.742 1.00 1.59 H new ATOM 0 HG3 LYS A 121 -9.794 6.762 1.206 1.00 1.59 H new ATOM 0 HD2 LYS A 121 -11.095 8.147 2.901 1.00 2.57 H new ATOM 0 HD3 LYS A 121 -9.616 9.011 3.269 1.00 2.57 H new ATOM 0 HE2 LYS A 121 -9.428 9.751 0.903 1.00 3.96 H new ATOM 0 HE3 LYS A 121 -10.858 8.831 0.482 1.00 3.96 H new ATOM 0 HZ1 LYS A 121 -11.377 11.149 0.822 1.00 4.97 H new ATOM 0 HZ2 LYS A 121 -12.152 10.200 1.998 1.00 4.97 H new ATOM 0 HZ3 LYS A 121 -10.766 11.092 2.406 1.00 4.97 H new ATOM 1834 N GLU A 122 -7.494 4.483 4.952 1.00 0.77 N ATOM 1835 CA GLU A 122 -7.167 3.392 5.856 1.00 0.78 C ATOM 1836 C GLU A 122 -6.100 3.819 6.871 1.00 0.76 C ATOM 1837 O GLU A 122 -6.174 3.431 8.033 1.00 0.91 O ATOM 1838 CB GLU A 122 -6.711 2.169 5.040 1.00 0.80 C ATOM 1839 CG GLU A 122 -7.888 1.388 4.432 1.00 0.61 C ATOM 1840 CD GLU A 122 -8.719 2.212 3.464 1.00 1.85 C ATOM 1841 OE1 GLU A 122 -8.090 3.029 2.749 1.00 3.21 O ATOM 1842 OE2 GLU A 122 -9.956 2.030 3.466 1.00 2.55 O ATOM 0 H GLU A 122 -7.333 4.258 3.970 1.00 0.77 H new ATOM 0 HA GLU A 122 -8.057 3.120 6.424 1.00 0.78 H new ATOM 0 HB2 GLU A 122 -6.047 2.498 4.241 1.00 0.80 H new ATOM 0 HB3 GLU A 122 -6.132 1.505 5.682 1.00 0.80 H new ATOM 0 HG2 GLU A 122 -7.503 0.510 3.913 1.00 0.61 H new ATOM 0 HG3 GLU A 122 -8.530 1.028 5.236 1.00 0.61 H new ATOM 1849 N ALA A 123 -5.113 4.610 6.439 1.00 0.63 N ATOM 1850 CA ALA A 123 -4.062 5.128 7.305 1.00 0.59 C ATOM 1851 C ALA A 123 -3.823 6.607 6.983 1.00 0.57 C ATOM 1852 O ALA A 123 -4.376 7.124 6.014 1.00 0.70 O ATOM 1853 CB ALA A 123 -2.802 4.270 7.131 1.00 0.60 C ATOM 0 H ALA A 123 -5.025 4.909 5.468 1.00 0.63 H new ATOM 0 HA ALA A 123 -4.354 5.070 8.354 1.00 0.59 H new ATOM 0 HB1 ALA A 123 -2.010 4.651 7.776 1.00 0.60 H new ATOM 0 HB2 ALA A 123 -3.025 3.238 7.401 1.00 0.60 H new ATOM 0 HB3 ALA A 123 -2.475 4.311 6.092 1.00 0.60 H new ATOM 1859 N SER A 124 -2.992 7.282 7.788 1.00 0.49 N ATOM 1860 CA SER A 124 -2.726 8.716 7.700 1.00 0.44 C ATOM 1861 C SER A 124 -1.275 8.993 8.103 1.00 0.42 C ATOM 1862 O SER A 124 -0.620 8.136 8.688 1.00 0.48 O ATOM 1863 CB SER A 124 -3.691 9.464 8.631 1.00 0.54 C ATOM 1864 OG SER A 124 -5.028 9.217 8.246 1.00 1.87 O ATOM 0 H SER A 124 -2.473 6.828 8.539 1.00 0.49 H new ATOM 0 HA SER A 124 -2.877 9.061 6.677 1.00 0.44 H new ATOM 0 HB2 SER A 124 -3.536 9.143 9.661 1.00 0.54 H new ATOM 0 HB3 SER A 124 -3.486 10.534 8.596 1.00 0.54 H new ATOM 0 HG SER A 124 -5.635 9.697 8.847 1.00 1.87 H new ATOM 1870 N VAL A 125 -0.769 10.206 7.857 1.00 0.39 N ATOM 1871 CA VAL A 125 0.600 10.578 8.208 1.00 0.46 C ATOM 1872 C VAL A 125 0.898 10.348 9.703 1.00 0.47 C ATOM 1873 O VAL A 125 2.052 10.220 10.110 1.00 0.64 O ATOM 1874 CB VAL A 125 0.901 12.033 7.789 1.00 0.71 C ATOM 1875 CG1 VAL A 125 2.416 12.264 7.719 1.00 1.56 C ATOM 1876 CG2 VAL A 125 0.326 12.394 6.409 1.00 1.64 C ATOM 0 H VAL A 125 -1.298 10.954 7.410 1.00 0.39 H new ATOM 0 HA VAL A 125 1.268 9.922 7.650 1.00 0.46 H new ATOM 0 HB VAL A 125 0.429 12.661 8.545 1.00 0.71 H new ATOM 0 HG11 VAL A 125 2.614 13.294 7.422 1.00 1.56 H new ATOM 0 HG12 VAL A 125 2.858 12.077 8.698 1.00 1.56 H new ATOM 0 HG13 VAL A 125 2.854 11.585 6.987 1.00 1.56 H new ATOM 0 HG21 VAL A 125 0.571 13.429 6.172 1.00 1.64 H new ATOM 0 HG22 VAL A 125 0.756 11.737 5.653 1.00 1.64 H new ATOM 0 HG23 VAL A 125 -0.757 12.272 6.423 1.00 1.64 H new ATOM 1886 N SER A 126 -0.116 10.363 10.568 1.00 0.47 N ATOM 1887 CA SER A 126 0.027 9.986 11.970 1.00 0.51 C ATOM 1888 C SER A 126 0.477 8.532 12.133 1.00 0.49 C ATOM 1889 O SER A 126 1.360 8.264 12.942 1.00 0.51 O ATOM 1890 CB SER A 126 -1.273 10.291 12.710 1.00 0.59 C ATOM 1891 OG SER A 126 -1.616 11.637 12.427 1.00 0.68 O ATOM 0 H SER A 126 -1.064 10.639 10.312 1.00 0.47 H new ATOM 0 HA SER A 126 0.822 10.582 12.418 1.00 0.51 H new ATOM 0 HB2 SER A 126 -2.066 9.617 12.387 1.00 0.59 H new ATOM 0 HB3 SER A 126 -1.148 10.144 13.783 1.00 0.59 H new ATOM 0 HG SER A 126 -2.450 11.866 12.887 1.00 0.68 H new ATOM 1897 N ASP A 127 -0.089 7.616 11.345 1.00 0.48 N ATOM 1898 CA ASP A 127 0.295 6.207 11.351 1.00 0.52 C ATOM 1899 C ASP A 127 1.759 6.090 10.936 1.00 0.51 C ATOM 1900 O ASP A 127 2.575 5.480 11.621 1.00 0.57 O ATOM 1901 CB ASP A 127 -0.606 5.426 10.386 1.00 0.56 C ATOM 1902 CG ASP A 127 -0.118 3.997 10.203 1.00 0.94 C ATOM 1903 OD1 ASP A 127 0.760 3.814 9.333 1.00 2.25 O ATOM 1904 OD2 ASP A 127 -0.642 3.125 10.923 1.00 1.90 O ATOM 0 H ASP A 127 -0.832 7.835 10.681 1.00 0.48 H new ATOM 0 HA ASP A 127 0.175 5.789 12.350 1.00 0.52 H new ATOM 0 HB2 ASP A 127 -1.627 5.417 10.766 1.00 0.56 H new ATOM 0 HB3 ASP A 127 -0.630 5.930 9.420 1.00 0.56 H new ATOM 1909 N LEU A 128 2.092 6.746 9.825 1.00 0.48 N ATOM 1910 CA LEU A 128 3.424 6.700 9.244 1.00 0.50 C ATOM 1911 C LEU A 128 4.443 7.233 10.239 1.00 0.52 C ATOM 1912 O LEU A 128 5.469 6.599 10.490 1.00 0.50 O ATOM 1913 CB LEU A 128 3.476 7.513 7.953 1.00 0.52 C ATOM 1914 CG LEU A 128 2.559 6.972 6.847 1.00 0.60 C ATOM 1915 CD1 LEU A 128 2.713 7.897 5.643 1.00 0.74 C ATOM 1916 CD2 LEU A 128 2.940 5.550 6.416 1.00 0.66 C ATOM 0 H LEU A 128 1.437 7.327 9.302 1.00 0.48 H new ATOM 0 HA LEU A 128 3.664 5.663 9.008 1.00 0.50 H new ATOM 0 HB2 LEU A 128 3.198 8.544 8.172 1.00 0.52 H new ATOM 0 HB3 LEU A 128 4.502 7.531 7.586 1.00 0.52 H new ATOM 0 HG LEU A 128 1.537 6.938 7.224 1.00 0.60 H new ATOM 0 HD11 LEU A 128 2.076 7.547 4.831 1.00 0.74 H new ATOM 0 HD12 LEU A 128 2.421 8.909 5.922 1.00 0.74 H new ATOM 0 HD13 LEU A 128 3.752 7.896 5.314 1.00 0.74 H new ATOM 0 HD21 LEU A 128 2.262 5.213 5.632 1.00 0.66 H new ATOM 0 HD22 LEU A 128 3.962 5.546 6.038 1.00 0.66 H new ATOM 0 HD23 LEU A 128 2.867 4.879 7.272 1.00 0.66 H new ATOM 1928 N LYS A 129 4.149 8.407 10.809 1.00 0.59 N ATOM 1929 CA LYS A 129 4.963 8.944 11.880 1.00 0.65 C ATOM 1930 C LYS A 129 5.090 7.907 12.992 1.00 0.67 C ATOM 1931 O LYS A 129 6.212 7.523 13.284 1.00 0.76 O ATOM 1932 CB LYS A 129 4.449 10.310 12.355 1.00 0.74 C ATOM 1933 CG LYS A 129 4.878 11.386 11.341 1.00 0.88 C ATOM 1934 CD LYS A 129 4.638 12.830 11.816 1.00 0.74 C ATOM 1935 CE LYS A 129 3.301 13.423 11.361 1.00 2.29 C ATOM 1936 NZ LYS A 129 2.179 12.520 11.658 1.00 3.67 N ATOM 0 H LYS A 129 3.357 8.992 10.542 1.00 0.59 H new ATOM 0 HA LYS A 129 5.969 9.142 11.510 1.00 0.65 H new ATOM 0 HB2 LYS A 129 3.363 10.292 12.449 1.00 0.74 H new ATOM 0 HB3 LYS A 129 4.850 10.541 13.342 1.00 0.74 H new ATOM 0 HG2 LYS A 129 5.938 11.259 11.120 1.00 0.88 H new ATOM 0 HG3 LYS A 129 4.337 11.227 10.408 1.00 0.88 H new ATOM 0 HD2 LYS A 129 4.683 12.855 12.905 1.00 0.74 H new ATOM 0 HD3 LYS A 129 5.447 13.461 11.449 1.00 0.74 H new ATOM 0 HE2 LYS A 129 3.139 14.380 11.857 1.00 2.29 H new ATOM 0 HE3 LYS A 129 3.336 13.621 10.290 1.00 2.29 H new ATOM 0 HZ1 LYS A 129 1.292 12.946 11.321 1.00 3.67 H new ATOM 0 HZ2 LYS A 129 2.330 11.610 11.179 1.00 3.67 H new ATOM 0 HZ3 LYS A 129 2.121 12.365 12.685 1.00 3.67 H new ATOM 1950 N GLU A 130 3.988 7.381 13.544 1.00 0.64 N ATOM 1951 CA GLU A 130 4.073 6.424 14.644 1.00 0.69 C ATOM 1952 C GLU A 130 4.990 5.249 14.287 1.00 0.69 C ATOM 1953 O GLU A 130 5.865 4.876 15.066 1.00 0.80 O ATOM 1954 CB GLU A 130 2.661 5.971 15.034 1.00 0.72 C ATOM 1955 CG GLU A 130 2.573 5.437 16.472 1.00 1.18 C ATOM 1956 CD GLU A 130 2.972 3.968 16.630 1.00 2.13 C ATOM 1957 OE1 GLU A 130 2.377 3.135 15.914 1.00 3.22 O ATOM 1958 OE2 GLU A 130 3.836 3.684 17.488 1.00 2.77 O ATOM 0 H GLU A 130 3.038 7.602 13.247 1.00 0.64 H new ATOM 0 HA GLU A 130 4.524 6.906 15.511 1.00 0.69 H new ATOM 0 HB2 GLU A 130 1.973 6.809 14.922 1.00 0.72 H new ATOM 0 HB3 GLU A 130 2.332 5.194 14.344 1.00 0.72 H new ATOM 0 HG2 GLU A 130 3.213 6.045 17.111 1.00 1.18 H new ATOM 0 HG3 GLU A 130 1.552 5.563 16.831 1.00 1.18 H new ATOM 1965 N ALA A 131 4.842 4.701 13.079 1.00 0.61 N ATOM 1966 CA ALA A 131 5.662 3.594 12.623 1.00 0.64 C ATOM 1967 C ALA A 131 7.146 3.977 12.628 1.00 0.65 C ATOM 1968 O ALA A 131 7.970 3.292 13.231 1.00 0.74 O ATOM 1969 CB ALA A 131 5.193 3.145 11.236 1.00 0.62 C ATOM 0 H ALA A 131 4.151 5.016 12.397 1.00 0.61 H new ATOM 0 HA ALA A 131 5.549 2.755 13.309 1.00 0.64 H new ATOM 0 HB1 ALA A 131 5.810 2.314 10.895 1.00 0.62 H new ATOM 0 HB2 ALA A 131 4.152 2.827 11.289 1.00 0.62 H new ATOM 0 HB3 ALA A 131 5.283 3.975 10.535 1.00 0.62 H new ATOM 1975 N VAL A 132 7.506 5.068 11.949 1.00 0.60 N ATOM 1976 CA VAL A 132 8.892 5.486 11.830 1.00 0.65 C ATOM 1977 C VAL A 132 9.460 5.891 13.198 1.00 0.75 C ATOM 1978 O VAL A 132 10.622 5.602 13.497 1.00 0.79 O ATOM 1979 CB VAL A 132 9.007 6.559 10.736 1.00 0.63 C ATOM 1980 CG1 VAL A 132 10.432 7.108 10.668 1.00 1.70 C ATOM 1981 CG2 VAL A 132 8.668 5.925 9.377 1.00 1.37 C ATOM 0 H VAL A 132 6.844 5.679 11.471 1.00 0.60 H new ATOM 0 HA VAL A 132 9.520 4.655 11.509 1.00 0.65 H new ATOM 0 HB VAL A 132 8.319 7.371 10.970 1.00 0.63 H new ATOM 0 HG11 VAL A 132 10.493 7.866 9.887 1.00 1.70 H new ATOM 0 HG12 VAL A 132 10.697 7.553 11.627 1.00 1.70 H new ATOM 0 HG13 VAL A 132 11.124 6.297 10.441 1.00 1.70 H new ATOM 0 HG21 VAL A 132 8.747 6.679 8.594 1.00 1.37 H new ATOM 0 HG22 VAL A 132 9.365 5.113 9.170 1.00 1.37 H new ATOM 0 HG23 VAL A 132 7.651 5.533 9.402 1.00 1.37 H new ATOM 1991 N ASP A 133 8.627 6.497 14.047 1.00 0.82 N ATOM 1992 CA ASP A 133 8.955 6.832 15.415 1.00 0.95 C ATOM 1993 C ASP A 133 9.343 5.558 16.156 1.00 0.99 C ATOM 1994 O ASP A 133 10.432 5.462 16.716 1.00 1.08 O ATOM 1995 CB ASP A 133 7.785 7.563 16.094 1.00 1.05 C ATOM 1996 CG ASP A 133 7.831 9.078 15.897 1.00 2.08 C ATOM 1997 OD1 ASP A 133 8.740 9.695 16.495 1.00 2.09 O ATOM 1998 OD2 ASP A 133 6.954 9.613 15.181 1.00 3.63 O ATOM 0 H ASP A 133 7.681 6.772 13.784 1.00 0.82 H new ATOM 0 HA ASP A 133 9.803 7.517 15.436 1.00 0.95 H new ATOM 0 HB2 ASP A 133 6.845 7.179 15.697 1.00 1.05 H new ATOM 0 HB3 ASP A 133 7.795 7.341 17.161 1.00 1.05 H new ATOM 2003 N LYS A 134 8.475 4.549 16.112 1.00 0.95 N ATOM 2004 CA LYS A 134 8.705 3.259 16.743 1.00 1.05 C ATOM 2005 C LYS A 134 9.967 2.579 16.194 1.00 0.92 C ATOM 2006 O LYS A 134 10.708 1.947 16.944 1.00 1.12 O ATOM 2007 CB LYS A 134 7.450 2.400 16.561 1.00 1.14 C ATOM 2008 CG LYS A 134 7.379 1.250 17.568 1.00 1.25 C ATOM 2009 CD LYS A 134 5.983 0.628 17.466 1.00 1.35 C ATOM 2010 CE LYS A 134 5.782 -0.449 18.538 1.00 2.34 C ATOM 2011 NZ LYS A 134 4.419 -1.012 18.481 1.00 3.07 N ATOM 0 H LYS A 134 7.579 4.610 15.628 1.00 0.95 H new ATOM 0 HA LYS A 134 8.887 3.396 17.809 1.00 1.05 H new ATOM 0 HB2 LYS A 134 6.565 3.027 16.667 1.00 1.14 H new ATOM 0 HB3 LYS A 134 7.434 1.995 15.549 1.00 1.14 H new ATOM 0 HG2 LYS A 134 8.146 0.506 17.354 1.00 1.25 H new ATOM 0 HG3 LYS A 134 7.562 1.615 18.579 1.00 1.25 H new ATOM 0 HD2 LYS A 134 5.226 1.404 17.579 1.00 1.35 H new ATOM 0 HD3 LYS A 134 5.847 0.191 16.477 1.00 1.35 H new ATOM 0 HE2 LYS A 134 6.513 -1.245 18.399 1.00 2.34 H new ATOM 0 HE3 LYS A 134 5.961 -0.021 19.525 1.00 2.34 H new ATOM 0 HZ1 LYS A 134 4.312 -1.738 19.218 1.00 3.07 H new ATOM 0 HZ2 LYS A 134 3.724 -0.255 18.638 1.00 3.07 H new ATOM 0 HZ3 LYS A 134 4.259 -1.441 17.547 1.00 3.07 H new ATOM 2025 N LEU A 135 10.217 2.706 14.888 1.00 0.67 N ATOM 2026 CA LEU A 135 11.457 2.257 14.256 1.00 0.57 C ATOM 2027 C LEU A 135 12.676 3.072 14.717 1.00 0.62 C ATOM 2028 O LEU A 135 13.801 2.593 14.582 1.00 0.72 O ATOM 2029 CB LEU A 135 11.297 2.284 12.728 1.00 0.47 C ATOM 2030 CG LEU A 135 10.745 0.988 12.102 1.00 0.59 C ATOM 2031 CD1 LEU A 135 11.866 -0.032 11.898 1.00 0.48 C ATOM 2032 CD2 LEU A 135 9.591 0.345 12.883 1.00 1.08 C ATOM 0 H LEU A 135 9.557 3.128 14.235 1.00 0.67 H new ATOM 0 HA LEU A 135 11.648 1.231 14.571 1.00 0.57 H new ATOM 0 HB2 LEU A 135 10.634 3.107 12.463 1.00 0.47 H new ATOM 0 HB3 LEU A 135 12.267 2.500 12.281 1.00 0.47 H new ATOM 0 HG LEU A 135 10.328 1.289 11.141 1.00 0.59 H new ATOM 0 HD11 LEU A 135 11.456 -0.940 11.455 1.00 0.48 H new ATOM 0 HD12 LEU A 135 12.622 0.386 11.234 1.00 0.48 H new ATOM 0 HD13 LEU A 135 12.320 -0.271 12.860 1.00 0.48 H new ATOM 0 HD21 LEU A 135 9.265 -0.561 12.371 1.00 1.08 H new ATOM 0 HD22 LEU A 135 9.928 0.092 13.888 1.00 1.08 H new ATOM 0 HD23 LEU A 135 8.759 1.046 12.945 1.00 1.08 H new ATOM 2044 N GLY A 136 12.472 4.267 15.276 1.00 0.67 N ATOM 2045 CA GLY A 136 13.499 5.042 15.957 1.00 0.73 C ATOM 2046 C GLY A 136 14.055 6.171 15.094 1.00 0.73 C ATOM 2047 O GLY A 136 15.222 6.530 15.244 1.00 0.85 O ATOM 0 H GLY A 136 11.563 4.730 15.265 1.00 0.67 H new ATOM 0 HA2 GLY A 136 13.084 5.462 16.873 1.00 0.73 H new ATOM 0 HA3 GLY A 136 14.313 4.380 16.250 1.00 0.73 H new ATOM 2051 N TYR A 137 13.235 6.747 14.209 1.00 0.68 N ATOM 2052 CA TYR A 137 13.600 7.887 13.369 1.00 0.69 C ATOM 2053 C TYR A 137 12.414 8.850 13.360 1.00 0.66 C ATOM 2054 O TYR A 137 11.390 8.522 13.947 1.00 0.72 O ATOM 2055 CB TYR A 137 13.925 7.388 11.955 1.00 0.65 C ATOM 2056 CG TYR A 137 14.825 6.168 11.927 1.00 0.68 C ATOM 2057 CD1 TYR A 137 16.150 6.270 12.387 1.00 2.03 C ATOM 2058 CD2 TYR A 137 14.270 4.899 11.680 1.00 1.61 C ATOM 2059 CE1 TYR A 137 16.907 5.110 12.611 1.00 2.11 C ATOM 2060 CE2 TYR A 137 15.052 3.743 11.835 1.00 1.58 C ATOM 2061 CZ TYR A 137 16.362 3.846 12.325 1.00 0.86 C ATOM 2062 OH TYR A 137 17.146 2.733 12.389 1.00 1.01 O ATOM 0 H TYR A 137 12.279 6.425 14.055 1.00 0.68 H new ATOM 0 HA TYR A 137 14.482 8.401 13.751 1.00 0.69 H new ATOM 0 HB2 TYR A 137 12.994 7.152 11.440 1.00 0.65 H new ATOM 0 HB3 TYR A 137 14.403 8.193 11.397 1.00 0.65 H new ATOM 0 HD1 TYR A 137 16.585 7.242 12.568 1.00 2.03 H new ATOM 0 HD2 TYR A 137 13.239 4.814 11.370 1.00 1.61 H new ATOM 0 HE1 TYR A 137 17.910 5.188 13.004 1.00 2.11 H new ATOM 0 HE2 TYR A 137 14.645 2.776 11.577 1.00 1.58 H new ATOM 0 HH TYR A 137 17.951 2.868 11.847 1.00 1.01 H new ATOM 2072 N LYS A 138 12.500 10.005 12.690 1.00 0.71 N ATOM 2073 CA LYS A 138 11.341 10.882 12.555 1.00 0.72 C ATOM 2074 C LYS A 138 11.154 11.246 11.092 1.00 0.67 C ATOM 2075 O LYS A 138 12.130 11.334 10.342 1.00 0.63 O ATOM 2076 CB LYS A 138 11.488 12.125 13.448 1.00 0.90 C ATOM 2077 CG LYS A 138 12.471 13.158 12.883 1.00 1.20 C ATOM 2078 CD LYS A 138 11.887 14.204 11.920 1.00 3.22 C ATOM 2079 CE LYS A 138 11.155 15.365 12.602 1.00 4.06 C ATOM 2080 NZ LYS A 138 9.737 15.049 12.852 1.00 5.93 N ATOM 0 H LYS A 138 13.349 10.347 12.240 1.00 0.71 H new ATOM 0 HA LYS A 138 10.446 10.360 12.893 1.00 0.72 H new ATOM 0 HB2 LYS A 138 10.511 12.592 13.574 1.00 0.90 H new ATOM 0 HB3 LYS A 138 11.824 11.816 14.438 1.00 0.90 H new ATOM 0 HG2 LYS A 138 12.932 13.684 13.719 1.00 1.20 H new ATOM 0 HG3 LYS A 138 13.267 12.624 12.365 1.00 1.20 H new ATOM 0 HD2 LYS A 138 12.696 14.609 11.312 1.00 3.22 H new ATOM 0 HD3 LYS A 138 11.196 13.706 11.240 1.00 3.22 H new ATOM 0 HE2 LYS A 138 11.647 15.600 13.546 1.00 4.06 H new ATOM 0 HE3 LYS A 138 11.224 16.255 11.977 1.00 4.06 H new ATOM 0 HZ1 LYS A 138 9.176 15.924 12.821 1.00 5.93 H new ATOM 0 HZ2 LYS A 138 9.394 14.392 12.123 1.00 5.93 H new ATOM 0 HZ3 LYS A 138 9.640 14.608 13.789 1.00 5.93 H new ATOM 2094 N LEU A 139 9.901 11.527 10.720 1.00 0.81 N ATOM 2095 CA LEU A 139 9.560 12.039 9.405 1.00 0.92 C ATOM 2096 C LEU A 139 9.302 13.546 9.432 1.00 1.00 C ATOM 2097 O LEU A 139 8.879 14.113 10.446 1.00 1.18 O ATOM 2098 CB LEU A 139 8.340 11.308 8.841 1.00 1.19 C ATOM 2099 CG LEU A 139 8.588 9.820 8.559 1.00 0.77 C ATOM 2100 CD1 LEU A 139 7.259 9.220 8.106 1.00 1.49 C ATOM 2101 CD2 LEU A 139 9.645 9.595 7.470 1.00 1.29 C ATOM 0 H LEU A 139 9.095 11.402 11.333 1.00 0.81 H new ATOM 0 HA LEU A 139 10.416 11.857 8.755 1.00 0.92 H new ATOM 0 HB2 LEU A 139 7.513 11.402 9.545 1.00 1.19 H new ATOM 0 HB3 LEU A 139 8.029 11.797 7.918 1.00 1.19 H new ATOM 0 HG LEU A 139 8.966 9.346 9.465 1.00 0.77 H new ATOM 0 HD11 LEU A 139 7.392 8.159 7.895 1.00 1.49 H new ATOM 0 HD12 LEU A 139 6.517 9.342 8.895 1.00 1.49 H new ATOM 0 HD13 LEU A 139 6.918 9.730 7.205 1.00 1.49 H new ATOM 0 HD21 LEU A 139 9.781 8.525 7.311 1.00 1.29 H new ATOM 0 HD22 LEU A 139 9.316 10.061 6.541 1.00 1.29 H new ATOM 0 HD23 LEU A 139 10.590 10.038 7.783 1.00 1.29 H new ATOM 2113 N LYS A 140 9.574 14.164 8.288 1.00 0.91 N ATOM 2114 CA LYS A 140 9.245 15.519 7.873 1.00 0.97 C ATOM 2115 C LYS A 140 8.344 15.381 6.645 1.00 0.77 C ATOM 2116 O LYS A 140 8.360 14.340 5.993 1.00 0.71 O ATOM 2117 CB LYS A 140 10.539 16.226 7.455 1.00 1.03 C ATOM 2118 CG LYS A 140 11.313 16.918 8.577 1.00 1.54 C ATOM 2119 CD LYS A 140 10.718 18.298 8.891 1.00 1.72 C ATOM 2120 CE LYS A 140 11.775 19.155 9.600 1.00 2.11 C ATOM 2121 NZ LYS A 140 11.332 20.544 9.814 1.00 2.50 N ATOM 0 H LYS A 140 10.084 13.675 7.553 1.00 0.91 H new ATOM 0 HA LYS A 140 8.760 16.084 8.669 1.00 0.97 H new ATOM 0 HB2 LYS A 140 11.195 15.493 6.985 1.00 1.03 H new ATOM 0 HB3 LYS A 140 10.295 16.969 6.696 1.00 1.03 H new ATOM 0 HG2 LYS A 140 11.293 16.298 9.473 1.00 1.54 H new ATOM 0 HG3 LYS A 140 12.358 17.027 8.288 1.00 1.54 H new ATOM 0 HD2 LYS A 140 10.395 18.786 7.971 1.00 1.72 H new ATOM 0 HD3 LYS A 140 9.836 18.192 9.522 1.00 1.72 H new ATOM 0 HE2 LYS A 140 12.017 18.703 10.562 1.00 2.11 H new ATOM 0 HE3 LYS A 140 12.691 19.157 9.009 1.00 2.11 H new ATOM 0 HZ1 LYS A 140 12.083 21.078 10.296 1.00 2.50 H new ATOM 0 HZ2 LYS A 140 11.126 20.988 8.896 1.00 2.50 H new ATOM 0 HZ3 LYS A 140 10.474 20.548 10.401 1.00 2.50 H new ATOM 2135 N LEU A 141 7.576 16.419 6.310 1.00 0.73 N ATOM 2136 CA LEU A 141 6.717 16.444 5.133 1.00 0.64 C ATOM 2137 C LEU A 141 7.418 17.256 4.050 1.00 0.66 C ATOM 2138 O LEU A 141 7.821 18.386 4.328 1.00 0.95 O ATOM 2139 CB LEU A 141 5.375 17.112 5.474 1.00 0.77 C ATOM 2140 CG LEU A 141 4.585 16.411 6.594 1.00 1.00 C ATOM 2141 CD1 LEU A 141 4.931 16.957 7.987 1.00 1.48 C ATOM 2142 CD2 LEU A 141 3.085 16.615 6.349 1.00 1.75 C ATOM 0 H LEU A 141 7.535 17.277 6.860 1.00 0.73 H new ATOM 0 HA LEU A 141 6.528 15.426 4.791 1.00 0.64 H new ATOM 0 HB2 LEU A 141 5.561 18.145 5.768 1.00 0.77 H new ATOM 0 HB3 LEU A 141 4.759 17.143 4.575 1.00 0.77 H new ATOM 0 HG LEU A 141 4.853 15.355 6.572 1.00 1.00 H new ATOM 0 HD11 LEU A 141 4.346 16.429 8.740 1.00 1.48 H new ATOM 0 HD12 LEU A 141 5.993 16.809 8.182 1.00 1.48 H new ATOM 0 HD13 LEU A 141 4.699 18.021 8.028 1.00 1.48 H new ATOM 0 HD21 LEU A 141 2.517 16.122 7.138 1.00 1.75 H new ATOM 0 HD22 LEU A 141 2.858 17.681 6.351 1.00 1.75 H new ATOM 0 HD23 LEU A 141 2.812 16.188 5.384 1.00 1.75 H new ATOM 2154 N LYS A 142 7.520 16.754 2.813 1.00 0.51 N ATOM 2155 CA LYS A 142 8.048 17.578 1.730 1.00 0.69 C ATOM 2156 C LYS A 142 6.925 18.472 1.203 1.00 1.03 C ATOM 2157 O LYS A 142 6.464 18.325 0.072 1.00 1.26 O ATOM 2158 CB LYS A 142 8.668 16.718 0.626 1.00 0.65 C ATOM 2159 CG LYS A 142 9.983 16.098 1.112 1.00 0.84 C ATOM 2160 CD LYS A 142 10.835 15.468 0.000 1.00 1.14 C ATOM 2161 CE LYS A 142 11.155 16.406 -1.178 1.00 2.02 C ATOM 2162 NZ LYS A 142 10.217 16.221 -2.307 1.00 3.25 N ATOM 0 H LYS A 142 7.251 15.807 2.546 1.00 0.51 H new ATOM 0 HA LYS A 142 8.853 18.209 2.107 1.00 0.69 H new ATOM 0 HB2 LYS A 142 7.973 15.931 0.335 1.00 0.65 H new ATOM 0 HB3 LYS A 142 8.850 17.327 -0.260 1.00 0.65 H new ATOM 0 HG2 LYS A 142 10.571 16.868 1.612 1.00 0.84 H new ATOM 0 HG3 LYS A 142 9.758 15.335 1.857 1.00 0.84 H new ATOM 0 HD2 LYS A 142 11.772 15.119 0.433 1.00 1.14 H new ATOM 0 HD3 LYS A 142 10.315 14.590 -0.384 1.00 1.14 H new ATOM 0 HE2 LYS A 142 11.113 17.441 -0.838 1.00 2.02 H new ATOM 0 HE3 LYS A 142 12.174 16.223 -1.520 1.00 2.02 H new ATOM 0 HZ1 LYS A 142 10.712 16.405 -3.203 1.00 3.25 H new ATOM 0 HZ2 LYS A 142 9.858 15.245 -2.304 1.00 3.25 H new ATOM 0 HZ3 LYS A 142 9.421 16.883 -2.209 1.00 3.25 H new