USER MOD reduce.3.24.130724 H: found=0, std=0, add=843, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 844 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 84 THR OG1 : rot 180:sc= -0.026 USER MOD Set 1.2: A 85 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 9 SER OG : rot -130:sc= -0.108 USER MOD Set 2.2: A 59 SER OG : rot 152:sc= 0.107 USER MOD Single : A 4 TYR OH : rot -110:sc= 0.505 USER MOD Single : A 10 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ -171:sc= -0.0298 (180deg=-0.136) USER MOD Single : A 21 MET CE :methyl -133:sc= -0.922 (180deg=-1.85!) USER MOD Single : A 24 LYS NZ :NH3+ -143:sc= -0.608 (180deg=-2.35!) USER MOD Single : A 26 ASN : amide:sc= -0.164 X(o=-0.16,f=-0.3) USER MOD Single : A 31 THR OG1 : rot 30:sc= 0.436 USER MOD Single : A 33 LYS NZ :NH3+ 173:sc=-0.00926 (180deg=-0.0822) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 178:sc= 0.385 (180deg=0.383) USER MOD Single : A 40 LYS NZ :NH3+ 158:sc= 0.986 (180deg=0.639) USER MOD Single : A 41 TYR OH : rot -176:sc= 0.907 USER MOD Single : A 47 LYS NZ :NH3+ 168:sc= 0.484 (180deg=0.395) USER MOD Single : A 49 SER OG : rot -89:sc= 0.795 USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 LYS NZ :NH3+ 140:sc= 0.685 (180deg=-0.314) USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : A 66 LYS NZ :NH3+ -160:sc= 0.101 (180deg=-0.742) USER MOD Single : A 68 LYS NZ :NH3+ -130:sc= 0.4 (180deg=-0.304) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 MET CE :methyl -173:sc= -0.203 (180deg=-0.342) USER MOD Single : A 80 THR OG1 : rot -160:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ -141:sc= 0.67 (180deg=0.251) USER MOD Single : A 90 LYS NZ :NH3+ -165:sc= 1.01 (180deg=0.751) USER MOD Single : A 94 LYS NZ :NH3+ -170:sc= -0.0231 (180deg=-0.152) USER MOD Single : A 97 SER OG : rot 5:sc= 0.984 USER MOD ----------------------------------------------------------------- ATOM 20 N LEU A 2 -10.387 -1.301 9.819 1.00 2.44 N ATOM 21 CA LEU A 2 -9.832 -2.065 8.692 1.00 4.53 C ATOM 22 C LEU A 2 -8.579 -1.346 8.164 1.00 60.12 C ATOM 23 O LEU A 2 -8.684 -0.284 7.555 1.00 71.21 O ATOM 24 CB LEU A 2 -10.903 -2.229 7.575 1.00 24.12 C ATOM 25 CG LEU A 2 -12.227 -2.946 7.999 1.00 3.41 C ATOM 26 CD1 LEU A 2 -13.244 -2.992 6.839 1.00 63.34 C ATOM 27 CD2 LEU A 2 -11.936 -4.356 8.557 1.00 45.11 C ATOM 0 HA LEU A 2 -9.548 -3.063 9.025 1.00 4.53 H new ATOM 0 HB2 LEU A 2 -11.155 -1.240 7.192 1.00 24.12 H new ATOM 0 HB3 LEU A 2 -10.458 -2.787 6.751 1.00 24.12 H new ATOM 0 HG LEU A 2 -12.681 -2.360 8.798 1.00 3.41 H new ATOM 0 HD11 LEU A 2 -14.151 -3.497 7.170 1.00 63.34 H new ATOM 0 HD12 LEU A 2 -13.487 -1.976 6.528 1.00 63.34 H new ATOM 0 HD13 LEU A 2 -12.813 -3.535 5.998 1.00 63.34 H new ATOM 0 HD21 LEU A 2 -12.872 -4.834 8.845 1.00 45.11 H new ATOM 0 HD22 LEU A 2 -11.443 -4.955 7.792 1.00 45.11 H new ATOM 0 HD23 LEU A 2 -11.287 -4.275 9.429 1.00 45.11 H new ATOM 39 N LEU A 3 -7.388 -1.901 8.460 1.00 2.20 N ATOM 40 CA LEU A 3 -6.097 -1.343 8.016 1.00 54.43 C ATOM 41 C LEU A 3 -5.424 -2.311 7.025 1.00 75.34 C ATOM 42 O LEU A 3 -5.070 -3.437 7.389 1.00 1.33 O ATOM 43 CB LEU A 3 -5.180 -1.093 9.245 1.00 11.22 C ATOM 44 CG LEU A 3 -5.757 -0.168 10.369 1.00 72.03 C ATOM 45 CD1 LEU A 3 -4.739 0.035 11.516 1.00 32.41 C ATOM 46 CD2 LEU A 3 -6.216 1.179 9.790 1.00 51.15 C ATOM 0 H LEU A 3 -7.294 -2.751 9.015 1.00 2.20 H new ATOM 0 HA LEU A 3 -6.268 -0.392 7.512 1.00 54.43 H new ATOM 0 HB2 LEU A 3 -4.934 -2.057 9.689 1.00 11.22 H new ATOM 0 HB3 LEU A 3 -4.246 -0.658 8.891 1.00 11.22 H new ATOM 0 HG LEU A 3 -6.629 -0.668 10.792 1.00 72.03 H new ATOM 0 HD11 LEU A 3 -5.174 0.682 12.278 1.00 32.41 H new ATOM 0 HD12 LEU A 3 -4.491 -0.930 11.958 1.00 32.41 H new ATOM 0 HD13 LEU A 3 -3.834 0.496 11.122 1.00 32.41 H new ATOM 0 HD21 LEU A 3 -6.613 1.803 10.591 1.00 51.15 H new ATOM 0 HD22 LEU A 3 -5.369 1.682 9.324 1.00 51.15 H new ATOM 0 HD23 LEU A 3 -6.993 1.009 9.044 1.00 51.15 H new ATOM 58 N TYR A 4 -5.285 -1.874 5.765 1.00 23.22 N ATOM 59 CA TYR A 4 -4.662 -2.671 4.691 1.00 63.34 C ATOM 60 C TYR A 4 -3.485 -1.899 4.092 1.00 73.14 C ATOM 61 O TYR A 4 -3.471 -0.671 4.095 1.00 5.41 O ATOM 62 CB TYR A 4 -5.696 -3.014 3.590 1.00 75.43 C ATOM 63 CG TYR A 4 -6.872 -3.877 4.088 1.00 55.35 C ATOM 64 CD1 TYR A 4 -6.755 -5.265 4.202 1.00 53.43 C ATOM 65 CD2 TYR A 4 -8.090 -3.298 4.454 1.00 20.41 C ATOM 66 CE1 TYR A 4 -7.809 -6.038 4.654 1.00 2.41 C ATOM 67 CE2 TYR A 4 -9.142 -4.068 4.903 1.00 13.15 C ATOM 68 CZ TYR A 4 -8.998 -5.432 5.004 1.00 31.41 C ATOM 69 OH TYR A 4 -10.053 -6.189 5.465 1.00 70.40 O ATOM 0 H TYR A 4 -5.602 -0.954 5.458 1.00 23.22 H new ATOM 0 HA TYR A 4 -4.298 -3.606 5.116 1.00 63.34 H new ATOM 0 HB2 TYR A 4 -6.089 -2.087 3.172 1.00 75.43 H new ATOM 0 HB3 TYR A 4 -5.190 -3.539 2.780 1.00 75.43 H new ATOM 0 HD1 TYR A 4 -5.825 -5.743 3.932 1.00 53.43 H new ATOM 0 HD2 TYR A 4 -8.210 -2.227 4.384 1.00 20.41 H new ATOM 0 HE1 TYR A 4 -7.702 -7.110 4.733 1.00 2.41 H new ATOM 0 HE2 TYR A 4 -10.077 -3.601 5.175 1.00 13.15 H new ATOM 0 HH TYR A 4 -10.766 -6.200 4.793 1.00 70.40 H new ATOM 79 N VAL A 5 -2.488 -2.651 3.612 1.00 4.53 N ATOM 80 CA VAL A 5 -1.268 -2.114 2.995 1.00 43.34 C ATOM 81 C VAL A 5 -1.105 -2.730 1.586 1.00 51.23 C ATOM 82 O VAL A 5 -1.105 -3.948 1.449 1.00 40.03 O ATOM 83 CB VAL A 5 -0.012 -2.436 3.894 1.00 34.14 C ATOM 84 CG1 VAL A 5 1.289 -1.919 3.253 1.00 32.03 C ATOM 85 CG2 VAL A 5 -0.185 -1.864 5.328 1.00 64.21 C ATOM 0 H VAL A 5 -2.506 -3.670 3.642 1.00 4.53 H new ATOM 0 HA VAL A 5 -1.347 -1.030 2.907 1.00 43.34 H new ATOM 0 HB VAL A 5 0.063 -3.521 3.969 1.00 34.14 H new ATOM 0 HG11 VAL A 5 2.133 -2.158 3.900 1.00 32.03 H new ATOM 0 HG12 VAL A 5 1.430 -2.394 2.282 1.00 32.03 H new ATOM 0 HG13 VAL A 5 1.226 -0.839 3.123 1.00 32.03 H new ATOM 0 HG21 VAL A 5 0.696 -2.102 5.923 1.00 64.21 H new ATOM 0 HG22 VAL A 5 -0.306 -0.782 5.276 1.00 64.21 H new ATOM 0 HG23 VAL A 5 -1.067 -2.306 5.792 1.00 64.21 H new ATOM 95 N LEU A 6 -1.012 -1.883 0.540 1.00 45.54 N ATOM 96 CA LEU A 6 -0.803 -2.324 -0.861 1.00 54.42 C ATOM 97 C LEU A 6 0.554 -1.784 -1.334 1.00 64.25 C ATOM 98 O LEU A 6 0.769 -0.582 -1.289 1.00 70.31 O ATOM 99 CB LEU A 6 -1.940 -1.782 -1.779 1.00 72.13 C ATOM 100 CG LEU A 6 -3.402 -2.090 -1.336 1.00 21.51 C ATOM 101 CD1 LEU A 6 -4.427 -1.557 -2.360 1.00 52.21 C ATOM 102 CD2 LEU A 6 -3.610 -3.589 -1.058 1.00 73.42 C ATOM 0 H LEU A 6 -1.080 -0.870 0.640 1.00 45.54 H new ATOM 0 HA LEU A 6 -0.818 -3.413 -0.913 1.00 54.42 H new ATOM 0 HB2 LEU A 6 -1.828 -0.701 -1.857 1.00 72.13 H new ATOM 0 HB3 LEU A 6 -1.794 -2.190 -2.779 1.00 72.13 H new ATOM 0 HG LEU A 6 -3.572 -1.562 -0.398 1.00 21.51 H new ATOM 0 HD11 LEU A 6 -5.436 -1.789 -2.019 1.00 52.21 H new ATOM 0 HD12 LEU A 6 -4.316 -0.477 -2.457 1.00 52.21 H new ATOM 0 HD13 LEU A 6 -4.253 -2.028 -3.328 1.00 52.21 H new ATOM 0 HD21 LEU A 6 -4.642 -3.763 -0.752 1.00 73.42 H new ATOM 0 HD22 LEU A 6 -3.399 -4.159 -1.963 1.00 73.42 H new ATOM 0 HD23 LEU A 6 -2.937 -3.908 -0.262 1.00 73.42 H new ATOM 114 N ILE A 7 1.475 -2.654 -1.784 1.00 63.20 N ATOM 115 CA ILE A 7 2.850 -2.224 -2.130 1.00 54.12 C ATOM 116 C ILE A 7 3.173 -2.475 -3.627 1.00 50.33 C ATOM 117 O ILE A 7 3.177 -3.618 -4.106 1.00 14.34 O ATOM 118 CB ILE A 7 3.909 -2.896 -1.169 1.00 75.20 C ATOM 119 CG1 ILE A 7 5.332 -2.283 -1.386 1.00 15.14 C ATOM 120 CG2 ILE A 7 3.915 -4.439 -1.296 1.00 42.33 C ATOM 121 CD1 ILE A 7 6.339 -2.630 -0.305 1.00 55.14 C ATOM 0 H ILE A 7 1.300 -3.650 -1.917 1.00 63.20 H new ATOM 0 HA ILE A 7 2.911 -1.146 -1.979 1.00 54.12 H new ATOM 0 HB ILE A 7 3.609 -2.674 -0.145 1.00 75.20 H new ATOM 0 HG12 ILE A 7 5.718 -2.624 -2.347 1.00 15.14 H new ATOM 0 HG13 ILE A 7 5.241 -1.198 -1.445 1.00 15.14 H new ATOM 0 HG21 ILE A 7 4.658 -4.857 -0.617 1.00 42.33 H new ATOM 0 HG22 ILE A 7 2.930 -4.829 -1.040 1.00 42.33 H new ATOM 0 HG23 ILE A 7 4.161 -4.719 -2.320 1.00 42.33 H new ATOM 0 HD11 ILE A 7 7.297 -2.163 -0.536 1.00 55.14 H new ATOM 0 HD12 ILE A 7 5.980 -2.264 0.657 1.00 55.14 H new ATOM 0 HD13 ILE A 7 6.464 -3.712 -0.258 1.00 55.14 H new ATOM 133 N ILE A 8 3.386 -1.372 -4.372 1.00 75.11 N ATOM 134 CA ILE A 8 3.806 -1.403 -5.783 1.00 4.03 C ATOM 135 C ILE A 8 5.328 -1.178 -5.840 1.00 4.21 C ATOM 136 O ILE A 8 5.791 -0.047 -5.673 1.00 4.11 O ATOM 137 CB ILE A 8 3.086 -0.273 -6.625 1.00 30.41 C ATOM 138 CG1 ILE A 8 1.566 -0.200 -6.272 1.00 71.45 C ATOM 139 CG2 ILE A 8 3.301 -0.490 -8.148 1.00 4.32 C ATOM 140 CD1 ILE A 8 0.768 0.834 -7.037 1.00 72.45 C ATOM 0 H ILE A 8 3.270 -0.427 -4.006 1.00 75.11 H new ATOM 0 HA ILE A 8 3.534 -2.369 -6.209 1.00 4.03 H new ATOM 0 HB ILE A 8 3.536 0.684 -6.361 1.00 30.41 H new ATOM 0 HG12 ILE A 8 1.122 -1.180 -6.449 1.00 71.45 H new ATOM 0 HG13 ILE A 8 1.468 0.006 -5.206 1.00 71.45 H new ATOM 0 HG21 ILE A 8 2.796 0.300 -8.703 1.00 4.32 H new ATOM 0 HG22 ILE A 8 4.367 -0.466 -8.372 1.00 4.32 H new ATOM 0 HG23 ILE A 8 2.891 -1.457 -8.439 1.00 4.32 H new ATOM 0 HD11 ILE A 8 -0.273 0.801 -6.716 1.00 72.45 H new ATOM 0 HD12 ILE A 8 1.176 1.826 -6.842 1.00 72.45 H new ATOM 0 HD13 ILE A 8 0.825 0.621 -8.104 1.00 72.45 H new ATOM 152 N SER A 9 6.099 -2.252 -6.058 1.00 65.54 N ATOM 153 CA SER A 9 7.568 -2.166 -6.138 1.00 1.31 C ATOM 154 C SER A 9 8.138 -3.316 -6.984 1.00 41.25 C ATOM 155 O SER A 9 7.556 -4.407 -7.057 1.00 70.24 O ATOM 156 CB SER A 9 8.184 -2.177 -4.715 1.00 60.00 C ATOM 157 OG SER A 9 9.593 -1.991 -4.744 1.00 43.12 O ATOM 0 H SER A 9 5.730 -3.195 -6.183 1.00 65.54 H new ATOM 0 HA SER A 9 7.832 -1.227 -6.625 1.00 1.31 H new ATOM 0 HB2 SER A 9 7.727 -1.390 -4.116 1.00 60.00 H new ATOM 0 HB3 SER A 9 7.953 -3.124 -4.227 1.00 60.00 H new ATOM 0 HG SER A 9 10.026 -2.683 -4.202 1.00 43.12 H new ATOM 163 N ASN A 10 9.282 -3.035 -7.627 1.00 41.30 N ATOM 164 CA ASN A 10 10.044 -4.014 -8.417 1.00 21.15 C ATOM 165 C ASN A 10 10.883 -4.890 -7.477 1.00 30.45 C ATOM 166 O ASN A 10 10.947 -6.119 -7.645 1.00 50.53 O ATOM 167 CB ASN A 10 10.951 -3.268 -9.433 1.00 45.42 C ATOM 168 CG ASN A 10 11.857 -4.199 -10.239 1.00 61.20 C ATOM 169 OD1 ASN A 10 11.459 -4.738 -11.268 1.00 23.33 O ATOM 170 ND2 ASN A 10 13.089 -4.385 -9.787 1.00 24.51 N ATOM 0 H ASN A 10 9.709 -2.109 -7.612 1.00 41.30 H new ATOM 0 HA ASN A 10 9.359 -4.657 -8.971 1.00 21.15 H new ATOM 0 HB2 ASN A 10 10.323 -2.700 -10.120 1.00 45.42 H new ATOM 0 HB3 ASN A 10 11.569 -2.548 -8.896 1.00 45.42 H new ATOM 0 HD21 ASN A 10 13.734 -4.989 -10.297 1.00 24.51 H new ATOM 0 HD22 ASN A 10 13.392 -3.924 -8.929 1.00 24.51 H new ATOM 177 N ASP A 11 11.506 -4.236 -6.476 1.00 64.43 N ATOM 178 CA ASP A 11 12.359 -4.907 -5.483 1.00 24.51 C ATOM 179 C ASP A 11 11.506 -5.751 -4.545 1.00 50.31 C ATOM 180 O ASP A 11 10.840 -5.213 -3.652 1.00 14.34 O ATOM 181 CB ASP A 11 13.195 -3.893 -4.652 1.00 13.04 C ATOM 182 CG ASP A 11 14.426 -3.357 -5.387 1.00 51.32 C ATOM 183 OD1 ASP A 11 15.405 -4.125 -5.538 1.00 31.53 O ATOM 184 OD2 ASP A 11 14.430 -2.181 -5.805 1.00 73.12 O ATOM 0 H ASP A 11 11.430 -3.229 -6.336 1.00 64.43 H new ATOM 0 HA ASP A 11 13.053 -5.545 -6.030 1.00 24.51 H new ATOM 0 HB2 ASP A 11 12.557 -3.055 -4.372 1.00 13.04 H new ATOM 0 HB3 ASP A 11 13.516 -4.373 -3.727 1.00 13.04 H new ATOM 189 N LYS A 12 11.515 -7.067 -4.781 1.00 1.44 N ATOM 190 CA LYS A 12 10.850 -8.045 -3.907 1.00 0.32 C ATOM 191 C LYS A 12 11.482 -8.034 -2.506 1.00 53.43 C ATOM 192 O LYS A 12 10.812 -8.358 -1.544 1.00 4.20 O ATOM 193 CB LYS A 12 10.902 -9.465 -4.534 1.00 74.14 C ATOM 194 CG LYS A 12 10.338 -9.538 -5.973 1.00 41.14 C ATOM 195 CD LYS A 12 8.876 -9.046 -6.072 1.00 12.33 C ATOM 196 CE LYS A 12 8.368 -9.006 -7.518 1.00 32.51 C ATOM 197 NZ LYS A 12 6.957 -8.563 -7.579 1.00 13.15 N ATOM 0 H LYS A 12 11.984 -7.487 -5.584 1.00 1.44 H new ATOM 0 HA LYS A 12 9.802 -7.762 -3.806 1.00 0.32 H new ATOM 0 HB2 LYS A 12 11.936 -9.810 -4.542 1.00 74.14 H new ATOM 0 HB3 LYS A 12 10.342 -10.152 -3.900 1.00 74.14 H new ATOM 0 HG2 LYS A 12 10.963 -8.938 -6.634 1.00 41.14 H new ATOM 0 HG3 LYS A 12 10.395 -10.567 -6.328 1.00 41.14 H new ATOM 0 HD2 LYS A 12 8.235 -9.701 -5.483 1.00 12.33 H new ATOM 0 HD3 LYS A 12 8.801 -8.050 -5.636 1.00 12.33 H new ATOM 0 HE2 LYS A 12 8.989 -8.330 -8.106 1.00 32.51 H new ATOM 0 HE3 LYS A 12 8.461 -9.995 -7.966 1.00 32.51 H new ATOM 0 HZ1 LYS A 12 6.641 -8.546 -8.570 1.00 13.15 H new ATOM 0 HZ2 LYS A 12 6.362 -9.222 -7.037 1.00 13.15 H new ATOM 0 HZ3 LYS A 12 6.875 -7.609 -7.173 1.00 13.15 H new ATOM 211 N LYS A 13 12.775 -7.634 -2.417 1.00 23.50 N ATOM 212 CA LYS A 13 13.501 -7.487 -1.137 1.00 1.23 C ATOM 213 C LYS A 13 12.933 -6.310 -0.315 1.00 2.02 C ATOM 214 O LYS A 13 12.799 -6.414 0.905 1.00 31.14 O ATOM 215 CB LYS A 13 15.024 -7.287 -1.390 1.00 21.43 C ATOM 216 CG LYS A 13 15.402 -6.083 -2.303 1.00 71.21 C ATOM 217 CD LYS A 13 16.921 -5.785 -2.330 1.00 45.11 C ATOM 218 CE LYS A 13 17.773 -6.962 -2.836 1.00 3.33 C ATOM 219 NZ LYS A 13 19.214 -6.599 -2.923 1.00 41.53 N ATOM 0 H LYS A 13 13.342 -7.405 -3.234 1.00 23.50 H new ATOM 0 HA LYS A 13 13.363 -8.403 -0.563 1.00 1.23 H new ATOM 0 HB2 LYS A 13 15.520 -7.160 -0.428 1.00 21.43 H new ATOM 0 HB3 LYS A 13 15.423 -8.198 -1.837 1.00 21.43 H new ATOM 0 HG2 LYS A 13 15.061 -6.285 -3.318 1.00 71.21 H new ATOM 0 HG3 LYS A 13 14.871 -5.195 -1.959 1.00 71.21 H new ATOM 0 HD2 LYS A 13 17.101 -4.918 -2.966 1.00 45.11 H new ATOM 0 HD3 LYS A 13 17.248 -5.517 -1.325 1.00 45.11 H new ATOM 0 HE2 LYS A 13 17.652 -7.814 -2.167 1.00 3.33 H new ATOM 0 HE3 LYS A 13 17.416 -7.275 -3.817 1.00 3.33 H new ATOM 0 HZ1 LYS A 13 19.758 -7.416 -3.267 1.00 41.53 H new ATOM 0 HZ2 LYS A 13 19.332 -5.802 -3.581 1.00 41.53 H new ATOM 0 HZ3 LYS A 13 19.560 -6.325 -1.981 1.00 41.53 H new ATOM 233 N LEU A 14 12.627 -5.190 -1.008 1.00 0.31 N ATOM 234 CA LEU A 14 11.985 -3.999 -0.414 1.00 52.22 C ATOM 235 C LEU A 14 10.581 -4.363 0.104 1.00 4.43 C ATOM 236 O LEU A 14 10.187 -3.947 1.202 1.00 21.31 O ATOM 237 CB LEU A 14 11.966 -2.861 -1.489 1.00 72.34 C ATOM 238 CG LEU A 14 11.354 -1.457 -1.102 1.00 72.44 C ATOM 239 CD1 LEU A 14 12.029 -0.310 -1.896 1.00 74.22 C ATOM 240 CD2 LEU A 14 9.818 -1.406 -1.310 1.00 43.45 C ATOM 0 H LEU A 14 12.821 -5.088 -2.004 1.00 0.31 H new ATOM 0 HA LEU A 14 12.546 -3.638 0.448 1.00 52.22 H new ATOM 0 HB2 LEU A 14 12.994 -2.695 -1.812 1.00 72.34 H new ATOM 0 HB3 LEU A 14 11.417 -3.233 -2.354 1.00 72.34 H new ATOM 0 HG LEU A 14 11.554 -1.319 -0.039 1.00 72.44 H new ATOM 0 HD11 LEU A 14 11.586 0.643 -1.607 1.00 74.22 H new ATOM 0 HD12 LEU A 14 13.097 -0.295 -1.677 1.00 74.22 H new ATOM 0 HD13 LEU A 14 11.880 -0.470 -2.964 1.00 74.22 H new ATOM 0 HD21 LEU A 14 9.445 -0.421 -1.030 1.00 43.45 H new ATOM 0 HD22 LEU A 14 9.586 -1.597 -2.358 1.00 43.45 H new ATOM 0 HD23 LEU A 14 9.341 -2.164 -0.689 1.00 43.45 H new ATOM 252 N ILE A 15 9.863 -5.177 -0.701 1.00 14.34 N ATOM 253 CA ILE A 15 8.525 -5.685 -0.372 1.00 22.51 C ATOM 254 C ILE A 15 8.576 -6.640 0.838 1.00 53.44 C ATOM 255 O ILE A 15 7.709 -6.570 1.706 1.00 2.00 O ATOM 256 CB ILE A 15 7.872 -6.414 -1.610 1.00 15.31 C ATOM 257 CG1 ILE A 15 7.703 -5.418 -2.806 1.00 55.43 C ATOM 258 CG2 ILE A 15 6.520 -7.068 -1.235 1.00 4.55 C ATOM 259 CD1 ILE A 15 7.201 -6.040 -4.100 1.00 14.44 C ATOM 0 H ILE A 15 10.206 -5.500 -1.606 1.00 14.34 H new ATOM 0 HA ILE A 15 7.906 -4.827 -0.111 1.00 22.51 H new ATOM 0 HB ILE A 15 8.544 -7.214 -1.921 1.00 15.31 H new ATOM 0 HG12 ILE A 15 7.011 -4.631 -2.507 1.00 55.43 H new ATOM 0 HG13 ILE A 15 8.664 -4.941 -3.000 1.00 55.43 H new ATOM 0 HG21 ILE A 15 6.099 -7.561 -2.111 1.00 4.55 H new ATOM 0 HG22 ILE A 15 6.678 -7.803 -0.446 1.00 4.55 H new ATOM 0 HG23 ILE A 15 5.830 -6.301 -0.883 1.00 4.55 H new ATOM 0 HD11 ILE A 15 7.118 -5.269 -4.866 1.00 14.44 H new ATOM 0 HD12 ILE A 15 7.902 -6.806 -4.431 1.00 14.44 H new ATOM 0 HD13 ILE A 15 6.223 -6.491 -3.931 1.00 14.44 H new ATOM 271 N GLU A 16 9.608 -7.513 0.874 1.00 11.21 N ATOM 272 CA GLU A 16 9.791 -8.507 1.951 1.00 70.51 C ATOM 273 C GLU A 16 10.030 -7.808 3.293 1.00 41.32 C ATOM 274 O GLU A 16 9.307 -8.071 4.247 1.00 33.35 O ATOM 275 CB GLU A 16 10.960 -9.486 1.629 1.00 52.13 C ATOM 276 CG GLU A 16 10.652 -10.549 0.545 1.00 0.22 C ATOM 277 CD GLU A 16 9.742 -11.693 1.026 1.00 64.12 C ATOM 278 OE1 GLU A 16 8.535 -11.466 1.236 1.00 24.00 O ATOM 279 OE2 GLU A 16 10.233 -12.833 1.194 1.00 2.24 O ATOM 0 H GLU A 16 10.334 -7.547 0.159 1.00 11.21 H new ATOM 0 HA GLU A 16 8.875 -9.094 2.021 1.00 70.51 H new ATOM 0 HB2 GLU A 16 11.823 -8.903 1.308 1.00 52.13 H new ATOM 0 HB3 GLU A 16 11.246 -9.999 2.547 1.00 52.13 H new ATOM 0 HG2 GLU A 16 10.181 -10.058 -0.306 1.00 0.22 H new ATOM 0 HG3 GLU A 16 11.591 -10.972 0.189 1.00 0.22 H new ATOM 286 N GLU A 17 11.019 -6.890 3.328 1.00 1.04 N ATOM 287 CA GLU A 17 11.369 -6.126 4.546 1.00 2.04 C ATOM 288 C GLU A 17 10.177 -5.304 5.072 1.00 23.24 C ATOM 289 O GLU A 17 9.980 -5.194 6.292 1.00 3.33 O ATOM 290 CB GLU A 17 12.599 -5.210 4.282 1.00 34.23 C ATOM 291 CG GLU A 17 13.933 -5.973 4.158 1.00 33.34 C ATOM 292 CD GLU A 17 14.246 -6.833 5.406 1.00 55.52 C ATOM 293 OE1 GLU A 17 14.446 -6.259 6.499 1.00 51.53 O ATOM 294 OE2 GLU A 17 14.249 -8.079 5.310 1.00 51.35 O ATOM 0 H GLU A 17 11.595 -6.658 2.519 1.00 1.04 H new ATOM 0 HA GLU A 17 11.631 -6.847 5.321 1.00 2.04 H new ATOM 0 HB2 GLU A 17 12.429 -4.645 3.365 1.00 34.23 H new ATOM 0 HB3 GLU A 17 12.680 -4.486 5.092 1.00 34.23 H new ATOM 0 HG2 GLU A 17 13.899 -6.615 3.278 1.00 33.34 H new ATOM 0 HG3 GLU A 17 14.742 -5.260 4.001 1.00 33.34 H new ATOM 301 N ALA A 18 9.405 -4.728 4.135 1.00 3.25 N ATOM 302 CA ALA A 18 8.182 -3.972 4.446 1.00 64.41 C ATOM 303 C ALA A 18 7.110 -4.896 5.060 1.00 74.00 C ATOM 304 O ALA A 18 6.532 -4.589 6.108 1.00 10.34 O ATOM 305 CB ALA A 18 7.651 -3.304 3.168 1.00 54.44 C ATOM 0 H ALA A 18 9.613 -4.774 3.138 1.00 3.25 H new ATOM 0 HA ALA A 18 8.420 -3.201 5.179 1.00 64.41 H new ATOM 0 HB1 ALA A 18 6.745 -2.744 3.400 1.00 54.44 H new ATOM 0 HB2 ALA A 18 8.406 -2.625 2.772 1.00 54.44 H new ATOM 0 HB3 ALA A 18 7.425 -4.069 2.425 1.00 54.44 H new ATOM 311 N ARG A 19 6.901 -6.043 4.395 1.00 22.55 N ATOM 312 CA ARG A 19 5.880 -7.043 4.753 1.00 71.14 C ATOM 313 C ARG A 19 6.156 -7.660 6.132 1.00 4.01 C ATOM 314 O ARG A 19 5.218 -7.961 6.865 1.00 23.45 O ATOM 315 CB ARG A 19 5.832 -8.142 3.668 1.00 51.13 C ATOM 316 CG ARG A 19 4.714 -9.186 3.839 1.00 41.23 C ATOM 317 CD ARG A 19 4.846 -10.343 2.836 1.00 13.54 C ATOM 318 NE ARG A 19 6.149 -11.015 2.977 1.00 24.54 N ATOM 319 CZ ARG A 19 6.429 -11.991 3.857 1.00 24.11 C ATOM 320 NH1 ARG A 19 5.506 -12.442 4.700 1.00 62.41 N ATOM 321 NH2 ARG A 19 7.648 -12.498 3.887 1.00 4.33 N ATOM 0 H ARG A 19 7.448 -6.308 3.576 1.00 22.55 H new ATOM 0 HA ARG A 19 4.913 -6.544 4.807 1.00 71.14 H new ATOM 0 HB2 ARG A 19 5.715 -7.664 2.695 1.00 51.13 H new ATOM 0 HB3 ARG A 19 6.791 -8.660 3.656 1.00 51.13 H new ATOM 0 HG2 ARG A 19 4.740 -9.582 4.854 1.00 41.23 H new ATOM 0 HG3 ARG A 19 3.745 -8.704 3.710 1.00 41.23 H new ATOM 0 HD2 ARG A 19 4.042 -11.062 2.996 1.00 13.54 H new ATOM 0 HD3 ARG A 19 4.736 -9.963 1.820 1.00 13.54 H new ATOM 0 HE ARG A 19 6.900 -10.715 2.356 1.00 24.54 H new ATOM 0 HH11 ARG A 19 4.566 -12.047 4.686 1.00 62.41 H new ATOM 0 HH12 ARG A 19 5.738 -13.184 5.361 1.00 62.41 H new ATOM 0 HH21 ARG A 19 8.362 -12.148 3.248 1.00 4.33 H new ATOM 0 HH22 ARG A 19 7.876 -13.239 4.549 1.00 4.33 H new ATOM 335 N LYS A 20 7.452 -7.821 6.467 1.00 50.41 N ATOM 336 CA LYS A 20 7.886 -8.321 7.781 1.00 61.24 C ATOM 337 C LYS A 20 7.407 -7.373 8.897 1.00 61.40 C ATOM 338 O LYS A 20 6.945 -7.828 9.946 1.00 53.32 O ATOM 339 CB LYS A 20 9.426 -8.488 7.823 1.00 50.23 C ATOM 340 CG LYS A 20 9.994 -9.574 6.879 1.00 5.24 C ATOM 341 CD LYS A 20 9.639 -11.018 7.298 1.00 12.04 C ATOM 342 CE LYS A 20 10.272 -11.425 8.647 1.00 20.23 C ATOM 343 NZ LYS A 20 11.758 -11.291 8.651 1.00 62.51 N ATOM 0 H LYS A 20 8.223 -7.608 5.834 1.00 50.41 H new ATOM 0 HA LYS A 20 7.437 -9.301 7.945 1.00 61.24 H new ATOM 0 HB2 LYS A 20 9.887 -7.533 7.571 1.00 50.23 H new ATOM 0 HB3 LYS A 20 9.722 -8.725 8.845 1.00 50.23 H new ATOM 0 HG2 LYS A 20 9.620 -9.397 5.871 1.00 5.24 H new ATOM 0 HG3 LYS A 20 11.079 -9.475 6.838 1.00 5.24 H new ATOM 0 HD2 LYS A 20 8.556 -11.115 7.367 1.00 12.04 H new ATOM 0 HD3 LYS A 20 9.972 -11.708 6.523 1.00 12.04 H new ATOM 0 HE2 LYS A 20 9.854 -10.806 9.441 1.00 20.23 H new ATOM 0 HE3 LYS A 20 10.004 -12.457 8.872 1.00 20.23 H new ATOM 0 HZ1 LYS A 20 12.143 -11.718 9.518 1.00 62.51 H new ATOM 0 HZ2 LYS A 20 12.153 -11.778 7.821 1.00 62.51 H new ATOM 0 HZ3 LYS A 20 12.016 -10.284 8.617 1.00 62.51 H new ATOM 357 N MET A 21 7.504 -6.055 8.640 1.00 20.35 N ATOM 358 CA MET A 21 6.999 -5.019 9.555 1.00 74.30 C ATOM 359 C MET A 21 5.467 -5.030 9.625 1.00 33.52 C ATOM 360 O MET A 21 4.902 -4.775 10.688 1.00 24.23 O ATOM 361 CB MET A 21 7.518 -3.610 9.147 1.00 2.44 C ATOM 362 CG MET A 21 8.957 -3.341 9.596 1.00 24.42 C ATOM 363 SD MET A 21 9.163 -3.507 11.388 1.00 35.03 S ATOM 364 CE MET A 21 7.949 -2.333 12.003 1.00 23.41 C ATOM 0 H MET A 21 7.934 -5.681 7.794 1.00 20.35 H new ATOM 0 HA MET A 21 7.381 -5.250 10.549 1.00 74.30 H new ATOM 0 HB2 MET A 21 7.458 -3.508 8.063 1.00 2.44 H new ATOM 0 HB3 MET A 21 6.863 -2.851 9.575 1.00 2.44 H new ATOM 0 HG2 MET A 21 9.628 -4.035 9.090 1.00 24.42 H new ATOM 0 HG3 MET A 21 9.248 -2.336 9.291 1.00 24.42 H new ATOM 0 HE1 MET A 21 8.402 -1.713 12.776 1.00 23.41 H new ATOM 0 HE2 MET A 21 7.607 -1.700 11.184 1.00 23.41 H new ATOM 0 HE3 MET A 21 7.100 -2.873 12.422 1.00 23.41 H new ATOM 374 N ALA A 22 4.808 -5.314 8.486 1.00 53.33 N ATOM 375 CA ALA A 22 3.340 -5.407 8.411 1.00 51.23 C ATOM 376 C ALA A 22 2.806 -6.576 9.256 1.00 24.04 C ATOM 377 O ALA A 22 1.785 -6.442 9.918 1.00 24.00 O ATOM 378 CB ALA A 22 2.889 -5.524 6.945 1.00 23.04 C ATOM 0 H ALA A 22 5.277 -5.485 7.596 1.00 53.33 H new ATOM 0 HA ALA A 22 2.918 -4.493 8.828 1.00 51.23 H new ATOM 0 HB1 ALA A 22 1.802 -5.592 6.903 1.00 23.04 H new ATOM 0 HB2 ALA A 22 3.219 -4.645 6.391 1.00 23.04 H new ATOM 0 HB3 ALA A 22 3.326 -6.418 6.500 1.00 23.04 H new ATOM 384 N GLU A 23 3.531 -7.706 9.239 1.00 62.42 N ATOM 385 CA GLU A 23 3.188 -8.903 10.029 1.00 44.40 C ATOM 386 C GLU A 23 3.318 -8.621 11.535 1.00 11.43 C ATOM 387 O GLU A 23 2.442 -8.999 12.324 1.00 62.13 O ATOM 388 CB GLU A 23 4.088 -10.088 9.606 1.00 24.03 C ATOM 389 CG GLU A 23 3.891 -10.544 8.142 1.00 71.23 C ATOM 390 CD GLU A 23 4.918 -11.593 7.694 1.00 25.34 C ATOM 391 OE1 GLU A 23 6.095 -11.226 7.489 1.00 13.22 O ATOM 392 OE2 GLU A 23 4.567 -12.788 7.561 1.00 31.31 O ATOM 0 H GLU A 23 4.374 -7.817 8.676 1.00 62.42 H new ATOM 0 HA GLU A 23 2.149 -9.168 9.832 1.00 44.40 H new ATOM 0 HB2 GLU A 23 5.131 -9.806 9.750 1.00 24.03 H new ATOM 0 HB3 GLU A 23 3.892 -10.932 10.267 1.00 24.03 H new ATOM 0 HG2 GLU A 23 2.888 -10.955 8.028 1.00 71.23 H new ATOM 0 HG3 GLU A 23 3.957 -9.676 7.486 1.00 71.23 H new ATOM 399 N LYS A 24 4.409 -7.925 11.913 1.00 75.32 N ATOM 400 CA LYS A 24 4.670 -7.528 13.311 1.00 65.33 C ATOM 401 C LYS A 24 3.677 -6.436 13.767 1.00 20.45 C ATOM 402 O LYS A 24 3.387 -6.310 14.962 1.00 64.51 O ATOM 403 CB LYS A 24 6.135 -7.037 13.464 1.00 72.50 C ATOM 404 CG LYS A 24 7.200 -8.109 13.130 1.00 11.22 C ATOM 405 CD LYS A 24 8.668 -7.618 13.281 1.00 31.01 C ATOM 406 CE LYS A 24 9.158 -7.530 14.746 1.00 41.35 C ATOM 407 NZ LYS A 24 8.507 -6.445 15.523 1.00 23.51 N ATOM 0 H LYS A 24 5.132 -7.623 11.260 1.00 75.32 H new ATOM 0 HA LYS A 24 4.527 -8.399 13.950 1.00 65.33 H new ATOM 0 HB2 LYS A 24 6.287 -6.175 12.815 1.00 72.50 H new ATOM 0 HB3 LYS A 24 6.287 -6.696 14.488 1.00 72.50 H new ATOM 0 HG2 LYS A 24 7.048 -8.971 13.780 1.00 11.22 H new ATOM 0 HG3 LYS A 24 7.047 -8.451 12.106 1.00 11.22 H new ATOM 0 HD2 LYS A 24 9.324 -8.292 12.730 1.00 31.01 H new ATOM 0 HD3 LYS A 24 8.760 -6.635 12.819 1.00 31.01 H new ATOM 0 HE2 LYS A 24 8.972 -8.483 15.241 1.00 41.35 H new ATOM 0 HE3 LYS A 24 10.237 -7.373 14.751 1.00 41.35 H new ATOM 0 HZ1 LYS A 24 9.200 -6.017 16.170 1.00 23.51 H new ATOM 0 HZ2 LYS A 24 8.148 -5.719 14.871 1.00 23.51 H new ATOM 0 HZ3 LYS A 24 7.717 -6.838 16.073 1.00 23.51 H new ATOM 421 N ALA A 25 3.173 -5.649 12.797 1.00 74.04 N ATOM 422 CA ALA A 25 2.188 -4.580 13.043 1.00 25.20 C ATOM 423 C ALA A 25 0.732 -5.090 12.921 1.00 1.23 C ATOM 424 O ALA A 25 -0.209 -4.304 13.124 1.00 52.54 O ATOM 425 CB ALA A 25 2.432 -3.413 12.069 1.00 12.04 C ATOM 0 H ALA A 25 3.439 -5.738 11.816 1.00 74.04 H new ATOM 0 HA ALA A 25 2.321 -4.234 14.068 1.00 25.20 H new ATOM 0 HB1 ALA A 25 1.702 -2.625 12.255 1.00 12.04 H new ATOM 0 HB2 ALA A 25 3.437 -3.018 12.218 1.00 12.04 H new ATOM 0 HB3 ALA A 25 2.330 -3.768 11.043 1.00 12.04 H new ATOM 431 N ASN A 26 0.561 -6.394 12.561 1.00 74.15 N ATOM 432 CA ASN A 26 -0.769 -7.072 12.480 1.00 71.23 C ATOM 433 C ASN A 26 -1.661 -6.436 11.368 1.00 64.21 C ATOM 434 O ASN A 26 -2.893 -6.456 11.422 1.00 43.31 O ATOM 435 CB ASN A 26 -1.432 -7.082 13.908 1.00 50.32 C ATOM 436 CG ASN A 26 -2.752 -7.851 14.029 1.00 34.51 C ATOM 437 OD1 ASN A 26 -3.833 -7.268 13.970 1.00 2.23 O ATOM 438 ND2 ASN A 26 -2.676 -9.158 14.209 1.00 72.54 N ATOM 0 H ASN A 26 1.340 -7.006 12.319 1.00 74.15 H new ATOM 0 HA ASN A 26 -0.644 -8.112 12.177 1.00 71.23 H new ATOM 0 HB2 ASN A 26 -0.720 -7.508 14.615 1.00 50.32 H new ATOM 0 HB3 ASN A 26 -1.606 -6.050 14.214 1.00 50.32 H new ATOM 0 HD21 ASN A 26 -3.528 -9.710 14.303 1.00 72.54 H new ATOM 0 HD22 ASN A 26 -1.765 -9.615 14.254 1.00 72.54 H new ATOM 445 N LEU A 27 -0.992 -5.883 10.341 1.00 71.22 N ATOM 446 CA LEU A 27 -1.638 -5.300 9.145 1.00 14.44 C ATOM 447 C LEU A 27 -1.554 -6.295 7.975 1.00 15.11 C ATOM 448 O LEU A 27 -0.532 -6.978 7.815 1.00 2.12 O ATOM 449 CB LEU A 27 -0.935 -3.964 8.760 1.00 53.44 C ATOM 450 CG LEU A 27 -0.789 -2.899 9.899 1.00 14.22 C ATOM 451 CD1 LEU A 27 -0.103 -1.615 9.382 1.00 33.33 C ATOM 452 CD2 LEU A 27 -2.144 -2.589 10.564 1.00 34.22 C ATOM 0 H LEU A 27 0.026 -5.826 10.315 1.00 71.22 H new ATOM 0 HA LEU A 27 -2.686 -5.096 9.366 1.00 14.44 H new ATOM 0 HB2 LEU A 27 0.060 -4.198 8.382 1.00 53.44 H new ATOM 0 HB3 LEU A 27 -1.489 -3.511 7.938 1.00 53.44 H new ATOM 0 HG LEU A 27 -0.145 -3.328 10.667 1.00 14.22 H new ATOM 0 HD11 LEU A 27 -0.017 -0.896 10.196 1.00 33.33 H new ATOM 0 HD12 LEU A 27 0.891 -1.859 9.007 1.00 33.33 H new ATOM 0 HD13 LEU A 27 -0.699 -1.183 8.578 1.00 33.33 H new ATOM 0 HD21 LEU A 27 -2.003 -1.846 11.349 1.00 34.22 H new ATOM 0 HD22 LEU A 27 -2.836 -2.200 9.817 1.00 34.22 H new ATOM 0 HD23 LEU A 27 -2.554 -3.501 10.997 1.00 34.22 H new ATOM 464 N GLU A 28 -2.617 -6.361 7.154 1.00 10.32 N ATOM 465 CA GLU A 28 -2.667 -7.243 5.975 1.00 34.51 C ATOM 466 C GLU A 28 -2.008 -6.531 4.778 1.00 73.42 C ATOM 467 O GLU A 28 -2.517 -5.507 4.308 1.00 72.33 O ATOM 468 CB GLU A 28 -4.140 -7.638 5.627 1.00 64.01 C ATOM 469 CG GLU A 28 -4.850 -8.547 6.662 1.00 33.15 C ATOM 470 CD GLU A 28 -5.159 -7.870 8.012 1.00 42.44 C ATOM 471 OE1 GLU A 28 -6.057 -7.012 8.049 1.00 62.12 O ATOM 472 OE2 GLU A 28 -4.509 -8.187 9.035 1.00 31.20 O ATOM 0 H GLU A 28 -3.463 -5.807 7.288 1.00 10.32 H new ATOM 0 HA GLU A 28 -2.122 -8.160 6.201 1.00 34.51 H new ATOM 0 HB2 GLU A 28 -4.724 -6.725 5.510 1.00 64.01 H new ATOM 0 HB3 GLU A 28 -4.143 -8.145 4.662 1.00 64.01 H new ATOM 0 HG2 GLU A 28 -5.784 -8.906 6.229 1.00 33.15 H new ATOM 0 HG3 GLU A 28 -4.226 -9.422 6.845 1.00 33.15 H new ATOM 479 N LEU A 29 -0.883 -7.081 4.286 1.00 23.13 N ATOM 480 CA LEU A 29 -0.150 -6.525 3.132 1.00 64.34 C ATOM 481 C LEU A 29 -0.441 -7.388 1.894 1.00 52.14 C ATOM 482 O LEU A 29 -0.464 -8.616 1.977 1.00 13.14 O ATOM 483 CB LEU A 29 1.378 -6.417 3.434 1.00 21.31 C ATOM 484 CG LEU A 29 2.285 -5.768 2.304 1.00 61.33 C ATOM 485 CD1 LEU A 29 3.427 -4.924 2.902 1.00 52.02 C ATOM 486 CD2 LEU A 29 2.861 -6.833 1.329 1.00 73.32 C ATOM 0 H LEU A 29 -0.457 -7.922 4.676 1.00 23.13 H new ATOM 0 HA LEU A 29 -0.492 -5.509 2.934 1.00 64.34 H new ATOM 0 HB2 LEU A 29 1.504 -5.835 4.347 1.00 21.31 H new ATOM 0 HB3 LEU A 29 1.756 -7.419 3.640 1.00 21.31 H new ATOM 0 HG LEU A 29 1.632 -5.108 1.733 1.00 61.33 H new ATOM 0 HD11 LEU A 29 4.024 -4.497 2.096 1.00 52.02 H new ATOM 0 HD12 LEU A 29 3.007 -4.120 3.507 1.00 52.02 H new ATOM 0 HD13 LEU A 29 4.058 -5.556 3.526 1.00 52.02 H new ATOM 0 HD21 LEU A 29 3.474 -6.341 0.574 1.00 73.32 H new ATOM 0 HD22 LEU A 29 3.472 -7.544 1.886 1.00 73.32 H new ATOM 0 HD23 LEU A 29 2.041 -7.362 0.842 1.00 73.32 H new ATOM 498 N ARG A 30 -0.688 -6.719 0.757 1.00 33.53 N ATOM 499 CA ARG A 30 -0.979 -7.350 -0.536 1.00 51.14 C ATOM 500 C ARG A 30 0.045 -6.824 -1.557 1.00 34.44 C ATOM 501 O ARG A 30 0.245 -5.603 -1.659 1.00 30.44 O ATOM 502 CB ARG A 30 -2.426 -6.997 -0.985 1.00 1.41 C ATOM 503 CG ARG A 30 -3.547 -7.342 0.027 1.00 72.23 C ATOM 504 CD ARG A 30 -3.715 -8.855 0.244 1.00 64.42 C ATOM 505 NE ARG A 30 -4.097 -9.544 -1.005 1.00 3.33 N ATOM 506 CZ ARG A 30 -3.929 -10.853 -1.253 1.00 34.11 C ATOM 507 NH1 ARG A 30 -3.391 -11.657 -0.343 1.00 2.12 N ATOM 508 NH2 ARG A 30 -4.315 -11.355 -2.418 1.00 13.23 N ATOM 0 H ARG A 30 -0.691 -5.700 0.712 1.00 33.53 H new ATOM 0 HA ARG A 30 -0.907 -8.435 -0.459 1.00 51.14 H new ATOM 0 HB2 ARG A 30 -2.470 -5.929 -1.198 1.00 1.41 H new ATOM 0 HB3 ARG A 30 -2.634 -7.517 -1.920 1.00 1.41 H new ATOM 0 HG2 ARG A 30 -3.326 -6.866 0.982 1.00 72.23 H new ATOM 0 HG3 ARG A 30 -4.490 -6.924 -0.327 1.00 72.23 H new ATOM 0 HD2 ARG A 30 -2.783 -9.275 0.621 1.00 64.42 H new ATOM 0 HD3 ARG A 30 -4.475 -9.032 1.005 1.00 64.42 H new ATOM 0 HE ARG A 30 -4.523 -8.979 -1.740 1.00 3.33 H new ATOM 0 HH11 ARG A 30 -3.099 -11.282 0.560 1.00 2.12 H new ATOM 0 HH12 ARG A 30 -3.270 -12.649 -0.547 1.00 2.12 H new ATOM 0 HH21 ARG A 30 -4.737 -10.748 -3.120 1.00 13.23 H new ATOM 0 HH22 ARG A 30 -4.190 -12.349 -2.612 1.00 13.23 H new ATOM 522 N THR A 31 0.696 -7.740 -2.288 1.00 54.20 N ATOM 523 CA THR A 31 1.757 -7.399 -3.243 1.00 73.23 C ATOM 524 C THR A 31 1.154 -7.043 -4.607 1.00 10.41 C ATOM 525 O THR A 31 0.582 -7.905 -5.290 1.00 32.15 O ATOM 526 CB THR A 31 2.778 -8.576 -3.387 1.00 44.01 C ATOM 527 OG1 THR A 31 2.099 -9.780 -3.797 1.00 2.33 O ATOM 528 CG2 THR A 31 3.529 -8.816 -2.065 1.00 43.31 C ATOM 0 H THR A 31 0.500 -8.740 -2.233 1.00 54.20 H new ATOM 0 HA THR A 31 2.293 -6.530 -2.861 1.00 73.23 H new ATOM 0 HB THR A 31 3.506 -8.302 -4.151 1.00 44.01 H new ATOM 0 HG1 THR A 31 1.320 -9.546 -4.343 1.00 2.33 H new ATOM 0 HG21 THR A 31 4.233 -9.639 -2.191 1.00 43.31 H new ATOM 0 HG22 THR A 31 4.072 -7.913 -1.786 1.00 43.31 H new ATOM 0 HG23 THR A 31 2.814 -9.066 -1.281 1.00 43.31 H new ATOM 536 N VAL A 32 1.293 -5.770 -4.995 1.00 5.50 N ATOM 537 CA VAL A 32 0.760 -5.263 -6.252 1.00 34.11 C ATOM 538 C VAL A 32 1.773 -5.561 -7.371 1.00 45.24 C ATOM 539 O VAL A 32 2.847 -4.952 -7.423 1.00 35.13 O ATOM 540 CB VAL A 32 0.486 -3.727 -6.149 1.00 20.13 C ATOM 541 CG1 VAL A 32 -0.192 -3.193 -7.422 1.00 61.31 C ATOM 542 CG2 VAL A 32 -0.333 -3.382 -4.878 1.00 42.20 C ATOM 0 H VAL A 32 1.780 -5.066 -4.441 1.00 5.50 H new ATOM 0 HA VAL A 32 -0.187 -5.754 -6.477 1.00 34.11 H new ATOM 0 HB VAL A 32 1.450 -3.226 -6.059 1.00 20.13 H new ATOM 0 HG11 VAL A 32 -0.369 -2.122 -7.318 1.00 61.31 H new ATOM 0 HG12 VAL A 32 0.454 -3.373 -8.281 1.00 61.31 H new ATOM 0 HG13 VAL A 32 -1.143 -3.705 -7.570 1.00 61.31 H new ATOM 0 HG21 VAL A 32 -0.506 -2.307 -4.837 1.00 42.20 H new ATOM 0 HG22 VAL A 32 -1.290 -3.902 -4.910 1.00 42.20 H new ATOM 0 HG23 VAL A 32 0.221 -3.694 -3.993 1.00 42.20 H new ATOM 552 N LYS A 33 1.409 -6.508 -8.240 1.00 34.01 N ATOM 553 CA LYS A 33 2.263 -6.994 -9.341 1.00 3.22 C ATOM 554 C LYS A 33 2.176 -6.033 -10.533 1.00 4.32 C ATOM 555 O LYS A 33 3.195 -5.614 -11.097 1.00 1.33 O ATOM 556 CB LYS A 33 1.797 -8.419 -9.749 1.00 11.13 C ATOM 557 CG LYS A 33 1.715 -9.413 -8.566 1.00 25.51 C ATOM 558 CD LYS A 33 1.016 -10.743 -8.933 1.00 64.33 C ATOM 559 CE LYS A 33 1.766 -11.568 -9.989 1.00 42.44 C ATOM 560 NZ LYS A 33 3.153 -11.888 -9.573 1.00 64.32 N ATOM 0 H LYS A 33 0.500 -6.969 -8.203 1.00 34.01 H new ATOM 0 HA LYS A 33 3.302 -7.037 -9.015 1.00 3.22 H new ATOM 0 HB2 LYS A 33 0.817 -8.349 -10.221 1.00 11.13 H new ATOM 0 HB3 LYS A 33 2.484 -8.815 -10.497 1.00 11.13 H new ATOM 0 HG2 LYS A 33 2.723 -9.626 -8.209 1.00 25.51 H new ATOM 0 HG3 LYS A 33 1.178 -8.943 -7.742 1.00 25.51 H new ATOM 0 HD2 LYS A 33 0.902 -11.343 -8.030 1.00 64.33 H new ATOM 0 HD3 LYS A 33 0.013 -10.526 -9.300 1.00 64.33 H new ATOM 0 HE2 LYS A 33 1.223 -12.494 -10.176 1.00 42.44 H new ATOM 0 HE3 LYS A 33 1.789 -11.016 -10.929 1.00 42.44 H new ATOM 0 HZ1 LYS A 33 3.579 -12.543 -10.260 1.00 64.32 H new ATOM 0 HZ2 LYS A 33 3.714 -11.013 -9.534 1.00 64.32 H new ATOM 0 HZ3 LYS A 33 3.140 -12.333 -8.633 1.00 64.32 H new ATOM 574 N THR A 34 0.929 -5.707 -10.903 1.00 13.24 N ATOM 575 CA THR A 34 0.599 -4.737 -11.961 1.00 3.42 C ATOM 576 C THR A 34 -0.363 -3.687 -11.386 1.00 74.14 C ATOM 577 O THR A 34 -0.894 -3.866 -10.287 1.00 51.13 O ATOM 578 CB THR A 34 -0.085 -5.447 -13.180 1.00 42.34 C ATOM 579 OG1 THR A 34 -1.295 -6.099 -12.749 1.00 21.04 O ATOM 580 CG2 THR A 34 0.844 -6.478 -13.847 1.00 64.54 C ATOM 0 H THR A 34 0.104 -6.118 -10.467 1.00 13.24 H new ATOM 0 HA THR A 34 1.520 -4.267 -12.307 1.00 3.42 H new ATOM 0 HB THR A 34 -0.314 -4.679 -13.919 1.00 42.34 H new ATOM 0 HG1 THR A 34 -1.720 -6.540 -13.514 1.00 21.04 H new ATOM 0 HG21 THR A 34 0.327 -6.944 -14.686 1.00 64.54 H new ATOM 0 HG22 THR A 34 1.743 -5.978 -14.207 1.00 64.54 H new ATOM 0 HG23 THR A 34 1.120 -7.243 -13.121 1.00 64.54 H new ATOM 588 N GLU A 35 -0.617 -2.622 -12.155 1.00 71.31 N ATOM 589 CA GLU A 35 -1.608 -1.584 -11.808 1.00 64.20 C ATOM 590 C GLU A 35 -3.023 -2.196 -11.629 1.00 54.34 C ATOM 591 O GLU A 35 -3.822 -1.703 -10.833 1.00 22.14 O ATOM 592 CB GLU A 35 -1.626 -0.502 -12.916 1.00 41.23 C ATOM 593 CG GLU A 35 -1.946 -1.050 -14.328 1.00 52.03 C ATOM 594 CD GLU A 35 -1.793 -0.011 -15.442 1.00 60.11 C ATOM 595 OE1 GLU A 35 -0.652 0.212 -15.908 1.00 62.31 O ATOM 596 OE2 GLU A 35 -2.799 0.613 -15.832 1.00 44.12 O ATOM 0 H GLU A 35 -0.141 -2.451 -13.041 1.00 71.31 H new ATOM 0 HA GLU A 35 -1.321 -1.131 -10.859 1.00 64.20 H new ATOM 0 HB2 GLU A 35 -2.364 0.257 -12.656 1.00 41.23 H new ATOM 0 HB3 GLU A 35 -0.655 -0.007 -12.941 1.00 41.23 H new ATOM 0 HG2 GLU A 35 -1.289 -1.894 -14.538 1.00 52.03 H new ATOM 0 HG3 GLU A 35 -2.967 -1.431 -14.337 1.00 52.03 H new ATOM 603 N ASP A 36 -3.304 -3.274 -12.390 1.00 43.14 N ATOM 604 CA ASP A 36 -4.581 -4.009 -12.332 1.00 41.24 C ATOM 605 C ASP A 36 -4.732 -4.814 -11.036 1.00 50.10 C ATOM 606 O ASP A 36 -5.862 -5.104 -10.640 1.00 1.12 O ATOM 607 CB ASP A 36 -4.744 -4.921 -13.571 1.00 44.21 C ATOM 608 CG ASP A 36 -4.974 -4.100 -14.848 1.00 33.23 C ATOM 609 OD1 ASP A 36 -3.986 -3.719 -15.516 1.00 45.42 O ATOM 610 OD2 ASP A 36 -6.148 -3.792 -15.163 1.00 12.21 O ATOM 0 H ASP A 36 -2.645 -3.660 -13.066 1.00 43.14 H new ATOM 0 HA ASP A 36 -5.379 -3.267 -12.338 1.00 41.24 H new ATOM 0 HB2 ASP A 36 -3.853 -5.538 -13.689 1.00 44.21 H new ATOM 0 HB3 ASP A 36 -5.583 -5.599 -13.417 1.00 44.21 H new ATOM 615 N GLU A 37 -3.604 -5.189 -10.394 1.00 51.05 N ATOM 616 CA GLU A 37 -3.624 -5.779 -9.036 1.00 60.35 C ATOM 617 C GLU A 37 -4.109 -4.733 -8.025 1.00 35.43 C ATOM 618 O GLU A 37 -4.929 -5.043 -7.172 1.00 61.04 O ATOM 619 CB GLU A 37 -2.227 -6.323 -8.622 1.00 24.43 C ATOM 620 CG GLU A 37 -1.777 -7.573 -9.388 1.00 20.14 C ATOM 621 CD GLU A 37 -2.658 -8.808 -9.121 1.00 42.42 C ATOM 622 OE1 GLU A 37 -2.656 -9.312 -7.971 1.00 11.51 O ATOM 623 OE2 GLU A 37 -3.334 -9.287 -10.057 1.00 5.12 O ATOM 0 H GLU A 37 -2.670 -5.094 -10.793 1.00 51.05 H new ATOM 0 HA GLU A 37 -4.312 -6.624 -9.046 1.00 60.35 H new ATOM 0 HB2 GLU A 37 -1.487 -5.536 -8.769 1.00 24.43 H new ATOM 0 HB3 GLU A 37 -2.242 -6.551 -7.556 1.00 24.43 H new ATOM 0 HG2 GLU A 37 -1.783 -7.356 -10.456 1.00 20.14 H new ATOM 0 HG3 GLU A 37 -0.747 -7.805 -9.116 1.00 20.14 H new ATOM 630 N LEU A 38 -3.626 -3.483 -8.184 1.00 10.15 N ATOM 631 CA LEU A 38 -3.965 -2.352 -7.294 1.00 32.03 C ATOM 632 C LEU A 38 -5.487 -2.098 -7.352 1.00 21.33 C ATOM 633 O LEU A 38 -6.154 -1.993 -6.318 1.00 33.53 O ATOM 634 CB LEU A 38 -3.147 -1.086 -7.733 1.00 52.24 C ATOM 635 CG LEU A 38 -2.992 0.098 -6.711 1.00 2.24 C ATOM 636 CD1 LEU A 38 -4.276 0.933 -6.530 1.00 3.20 C ATOM 637 CD2 LEU A 38 -2.464 -0.417 -5.355 1.00 43.02 C ATOM 0 H LEU A 38 -2.987 -3.228 -8.937 1.00 10.15 H new ATOM 0 HA LEU A 38 -3.701 -2.583 -6.262 1.00 32.03 H new ATOM 0 HB2 LEU A 38 -2.146 -1.418 -8.010 1.00 52.24 H new ATOM 0 HB3 LEU A 38 -3.612 -0.687 -8.635 1.00 52.24 H new ATOM 0 HG LEU A 38 -2.257 0.778 -7.142 1.00 2.24 H new ATOM 0 HD11 LEU A 38 -4.093 1.731 -5.811 1.00 3.20 H new ATOM 0 HD12 LEU A 38 -4.566 1.367 -7.487 1.00 3.20 H new ATOM 0 HD13 LEU A 38 -5.078 0.292 -6.164 1.00 3.20 H new ATOM 0 HD21 LEU A 38 -2.364 0.419 -4.662 1.00 43.02 H new ATOM 0 HD22 LEU A 38 -3.163 -1.146 -4.946 1.00 43.02 H new ATOM 0 HD23 LEU A 38 -1.491 -0.888 -5.498 1.00 43.02 H new ATOM 649 N LYS A 39 -5.999 -2.023 -8.596 1.00 65.11 N ATOM 650 CA LYS A 39 -7.433 -1.868 -8.900 1.00 30.24 C ATOM 651 C LYS A 39 -8.255 -3.032 -8.313 1.00 34.34 C ATOM 652 O LYS A 39 -9.276 -2.803 -7.676 1.00 14.30 O ATOM 653 CB LYS A 39 -7.613 -1.804 -10.436 1.00 13.44 C ATOM 654 CG LYS A 39 -6.906 -0.600 -11.109 1.00 62.04 C ATOM 655 CD LYS A 39 -6.734 -0.769 -12.641 1.00 1.44 C ATOM 656 CE LYS A 39 -8.066 -0.944 -13.389 1.00 12.53 C ATOM 657 NZ LYS A 39 -7.865 -1.228 -14.834 1.00 44.32 N ATOM 0 H LYS A 39 -5.416 -2.069 -9.432 1.00 65.11 H new ATOM 0 HA LYS A 39 -7.796 -0.947 -8.444 1.00 30.24 H new ATOM 0 HB2 LYS A 39 -7.231 -2.726 -10.874 1.00 13.44 H new ATOM 0 HB3 LYS A 39 -8.678 -1.760 -10.664 1.00 13.44 H new ATOM 0 HG2 LYS A 39 -7.480 0.306 -10.912 1.00 62.04 H new ATOM 0 HG3 LYS A 39 -5.926 -0.462 -10.653 1.00 62.04 H new ATOM 0 HD2 LYS A 39 -6.214 0.102 -13.039 1.00 1.44 H new ATOM 0 HD3 LYS A 39 -6.100 -1.635 -12.835 1.00 1.44 H new ATOM 0 HE2 LYS A 39 -8.631 -1.758 -12.936 1.00 12.53 H new ATOM 0 HE3 LYS A 39 -8.665 -0.040 -13.278 1.00 12.53 H new ATOM 0 HZ1 LYS A 39 -8.788 -1.372 -15.291 1.00 44.32 H new ATOM 0 HZ2 LYS A 39 -7.379 -0.425 -15.281 1.00 44.32 H new ATOM 0 HZ3 LYS A 39 -7.288 -2.086 -14.942 1.00 44.32 H new ATOM 671 N LYS A 40 -7.751 -4.268 -8.533 1.00 1.12 N ATOM 672 CA LYS A 40 -8.368 -5.527 -8.051 1.00 71.34 C ATOM 673 C LYS A 40 -8.556 -5.509 -6.523 1.00 13.50 C ATOM 674 O LYS A 40 -9.590 -5.956 -6.007 1.00 24.21 O ATOM 675 CB LYS A 40 -7.463 -6.721 -8.469 1.00 13.04 C ATOM 676 CG LYS A 40 -7.886 -8.108 -7.940 1.00 71.03 C ATOM 677 CD LYS A 40 -6.875 -9.228 -8.305 1.00 12.41 C ATOM 678 CE LYS A 40 -6.784 -9.503 -9.817 1.00 75.41 C ATOM 679 NZ LYS A 40 -5.868 -10.638 -10.122 1.00 4.54 N ATOM 0 H LYS A 40 -6.891 -4.422 -9.059 1.00 1.12 H new ATOM 0 HA LYS A 40 -9.355 -5.632 -8.500 1.00 71.34 H new ATOM 0 HB2 LYS A 40 -7.431 -6.764 -9.558 1.00 13.04 H new ATOM 0 HB3 LYS A 40 -6.448 -6.518 -8.128 1.00 13.04 H new ATOM 0 HG2 LYS A 40 -7.993 -8.061 -6.856 1.00 71.03 H new ATOM 0 HG3 LYS A 40 -8.865 -8.363 -8.346 1.00 71.03 H new ATOM 0 HD2 LYS A 40 -5.888 -8.951 -7.934 1.00 12.41 H new ATOM 0 HD3 LYS A 40 -7.162 -10.147 -7.793 1.00 12.41 H new ATOM 0 HE2 LYS A 40 -7.778 -9.724 -10.206 1.00 75.41 H new ATOM 0 HE3 LYS A 40 -6.434 -8.606 -10.328 1.00 75.41 H new ATOM 0 HZ1 LYS A 40 -6.103 -11.033 -11.055 1.00 4.54 H new ATOM 0 HZ2 LYS A 40 -4.885 -10.299 -10.128 1.00 4.54 H new ATOM 0 HZ3 LYS A 40 -5.976 -11.376 -9.397 1.00 4.54 H new ATOM 693 N TYR A 41 -7.533 -4.978 -5.823 1.00 73.02 N ATOM 694 CA TYR A 41 -7.526 -4.877 -4.360 1.00 3.12 C ATOM 695 C TYR A 41 -8.566 -3.857 -3.894 1.00 43.14 C ATOM 696 O TYR A 41 -9.298 -4.123 -2.952 1.00 14.32 O ATOM 697 CB TYR A 41 -6.119 -4.510 -3.817 1.00 12.12 C ATOM 698 CG TYR A 41 -5.037 -5.563 -4.095 1.00 61.11 C ATOM 699 CD1 TYR A 41 -5.338 -6.928 -4.076 1.00 24.42 C ATOM 700 CD2 TYR A 41 -3.717 -5.194 -4.382 1.00 30.42 C ATOM 701 CE1 TYR A 41 -4.374 -7.876 -4.332 1.00 71.14 C ATOM 702 CE2 TYR A 41 -2.752 -6.146 -4.637 1.00 72.54 C ATOM 703 CZ TYR A 41 -3.090 -7.483 -4.616 1.00 43.42 C ATOM 704 OH TYR A 41 -2.140 -8.432 -4.870 1.00 34.42 O ATOM 0 H TYR A 41 -6.690 -4.608 -6.262 1.00 73.02 H new ATOM 0 HA TYR A 41 -7.786 -5.856 -3.957 1.00 3.12 H new ATOM 0 HB2 TYR A 41 -5.809 -3.563 -4.258 1.00 12.12 H new ATOM 0 HB3 TYR A 41 -6.188 -4.353 -2.741 1.00 12.12 H new ATOM 0 HD1 TYR A 41 -6.347 -7.245 -3.856 1.00 24.42 H new ATOM 0 HD2 TYR A 41 -3.450 -4.148 -4.404 1.00 30.42 H new ATOM 0 HE1 TYR A 41 -4.627 -8.926 -4.310 1.00 71.14 H new ATOM 0 HE2 TYR A 41 -1.737 -5.846 -4.852 1.00 72.54 H new ATOM 0 HH TYR A 41 -1.269 -7.999 -4.991 1.00 34.42 H new ATOM 714 N LEU A 42 -8.633 -2.703 -4.588 1.00 20.44 N ATOM 715 CA LEU A 42 -9.595 -1.632 -4.258 1.00 2.11 C ATOM 716 C LEU A 42 -11.063 -2.080 -4.485 1.00 1.35 C ATOM 717 O LEU A 42 -11.929 -1.774 -3.672 1.00 41.42 O ATOM 718 CB LEU A 42 -9.292 -0.360 -5.079 1.00 15.25 C ATOM 719 CG LEU A 42 -7.926 0.336 -4.810 1.00 71.42 C ATOM 720 CD1 LEU A 42 -7.757 1.561 -5.726 1.00 32.54 C ATOM 721 CD2 LEU A 42 -7.759 0.718 -3.318 1.00 62.15 C ATOM 0 H LEU A 42 -8.031 -2.489 -5.383 1.00 20.44 H new ATOM 0 HA LEU A 42 -9.479 -1.408 -3.197 1.00 2.11 H new ATOM 0 HB2 LEU A 42 -9.340 -0.618 -6.137 1.00 15.25 H new ATOM 0 HB3 LEU A 42 -10.085 0.363 -4.891 1.00 15.25 H new ATOM 0 HG LEU A 42 -7.136 -0.377 -5.044 1.00 71.42 H new ATOM 0 HD11 LEU A 42 -6.797 2.036 -5.525 1.00 32.54 H new ATOM 0 HD12 LEU A 42 -7.794 1.244 -6.768 1.00 32.54 H new ATOM 0 HD13 LEU A 42 -8.561 2.272 -5.535 1.00 32.54 H new ATOM 0 HD21 LEU A 42 -6.793 1.201 -3.172 1.00 62.15 H new ATOM 0 HD22 LEU A 42 -8.555 1.403 -3.027 1.00 62.15 H new ATOM 0 HD23 LEU A 42 -7.811 -0.181 -2.704 1.00 62.15 H new ATOM 733 N GLU A 43 -11.322 -2.796 -5.596 1.00 4.25 N ATOM 734 CA GLU A 43 -12.657 -3.364 -5.917 1.00 42.01 C ATOM 735 C GLU A 43 -13.078 -4.393 -4.856 1.00 61.22 C ATOM 736 O GLU A 43 -14.252 -4.472 -4.473 1.00 73.11 O ATOM 737 CB GLU A 43 -12.639 -3.997 -7.340 1.00 32.14 C ATOM 738 CG GLU A 43 -12.402 -2.966 -8.458 1.00 24.31 C ATOM 739 CD GLU A 43 -12.171 -3.585 -9.844 1.00 70.32 C ATOM 740 OE1 GLU A 43 -13.159 -3.881 -10.552 1.00 73.42 O ATOM 741 OE2 GLU A 43 -10.996 -3.770 -10.238 1.00 61.03 O ATOM 0 H GLU A 43 -10.614 -3.000 -6.301 1.00 4.25 H new ATOM 0 HA GLU A 43 -13.394 -2.561 -5.909 1.00 42.01 H new ATOM 0 HB2 GLU A 43 -11.858 -4.756 -7.383 1.00 32.14 H new ATOM 0 HB3 GLU A 43 -13.587 -4.504 -7.517 1.00 32.14 H new ATOM 0 HG2 GLU A 43 -13.262 -2.298 -8.509 1.00 24.31 H new ATOM 0 HG3 GLU A 43 -11.538 -2.355 -8.197 1.00 24.31 H new ATOM 748 N GLU A 44 -12.082 -5.155 -4.377 1.00 3.22 N ATOM 749 CA GLU A 44 -12.241 -6.104 -3.266 1.00 45.23 C ATOM 750 C GLU A 44 -12.578 -5.339 -1.963 1.00 51.11 C ATOM 751 O GLU A 44 -13.404 -5.782 -1.163 1.00 53.43 O ATOM 752 CB GLU A 44 -10.925 -6.923 -3.089 1.00 71.24 C ATOM 753 CG GLU A 44 -11.009 -8.104 -2.099 1.00 52.12 C ATOM 754 CD GLU A 44 -11.994 -9.196 -2.562 1.00 45.12 C ATOM 755 OE1 GLU A 44 -11.634 -9.992 -3.456 1.00 3.23 O ATOM 756 OE2 GLU A 44 -13.137 -9.250 -2.058 1.00 2.12 O ATOM 0 H GLU A 44 -11.135 -5.129 -4.754 1.00 3.22 H new ATOM 0 HA GLU A 44 -13.059 -6.789 -3.488 1.00 45.23 H new ATOM 0 HB2 GLU A 44 -10.623 -7.308 -4.063 1.00 71.24 H new ATOM 0 HB3 GLU A 44 -10.138 -6.247 -2.756 1.00 71.24 H new ATOM 0 HG2 GLU A 44 -10.018 -8.542 -1.976 1.00 52.12 H new ATOM 0 HG3 GLU A 44 -11.317 -7.733 -1.121 1.00 52.12 H new ATOM 763 N PHE A 45 -11.922 -4.173 -1.787 1.00 75.42 N ATOM 764 CA PHE A 45 -12.078 -3.309 -0.598 1.00 55.54 C ATOM 765 C PHE A 45 -13.340 -2.421 -0.657 1.00 53.24 C ATOM 766 O PHE A 45 -13.680 -1.780 0.344 1.00 42.20 O ATOM 767 CB PHE A 45 -10.813 -2.421 -0.414 1.00 22.30 C ATOM 768 CG PHE A 45 -9.512 -3.174 -0.090 1.00 60.13 C ATOM 769 CD1 PHE A 45 -9.521 -4.475 0.443 1.00 70.05 C ATOM 770 CD2 PHE A 45 -8.270 -2.582 -0.343 1.00 71.33 C ATOM 771 CE1 PHE A 45 -8.337 -5.140 0.708 1.00 64.30 C ATOM 772 CE2 PHE A 45 -7.096 -3.255 -0.076 1.00 12.34 C ATOM 773 CZ PHE A 45 -7.128 -4.532 0.443 1.00 32.02 C ATOM 0 H PHE A 45 -11.264 -3.802 -2.472 1.00 75.42 H new ATOM 0 HA PHE A 45 -12.197 -3.972 0.259 1.00 55.54 H new ATOM 0 HB2 PHE A 45 -10.660 -1.845 -1.326 1.00 22.30 H new ATOM 0 HB3 PHE A 45 -11.006 -1.706 0.386 1.00 22.30 H new ATOM 0 HD1 PHE A 45 -10.463 -4.961 0.648 1.00 70.05 H new ATOM 0 HD2 PHE A 45 -8.230 -1.584 -0.753 1.00 71.33 H new ATOM 0 HE1 PHE A 45 -8.360 -6.137 1.123 1.00 64.30 H new ATOM 0 HE2 PHE A 45 -6.147 -2.779 -0.274 1.00 12.34 H new ATOM 0 HZ PHE A 45 -6.205 -5.057 0.642 1.00 32.02 H new ATOM 783 N ARG A 46 -14.013 -2.369 -1.824 1.00 31.44 N ATOM 784 CA ARG A 46 -15.244 -1.569 -2.002 1.00 53.41 C ATOM 785 C ARG A 46 -16.408 -2.150 -1.173 1.00 5.13 C ATOM 786 O ARG A 46 -17.103 -1.412 -0.468 1.00 73.02 O ATOM 787 CB ARG A 46 -15.658 -1.476 -3.500 1.00 21.24 C ATOM 788 CG ARG A 46 -14.902 -0.416 -4.329 1.00 74.12 C ATOM 789 CD ARG A 46 -15.544 -0.211 -5.719 1.00 21.54 C ATOM 790 NE ARG A 46 -16.997 0.070 -5.609 1.00 12.53 N ATOM 791 CZ ARG A 46 -17.830 0.339 -6.629 1.00 61.24 C ATOM 792 NH1 ARG A 46 -17.399 0.368 -7.881 1.00 41.33 N ATOM 793 NH2 ARG A 46 -19.117 0.533 -6.379 1.00 62.12 N ATOM 0 H ARG A 46 -13.724 -2.874 -2.662 1.00 31.44 H new ATOM 0 HA ARG A 46 -15.023 -0.563 -1.645 1.00 53.41 H new ATOM 0 HB2 ARG A 46 -15.506 -2.451 -3.963 1.00 21.24 H new ATOM 0 HB3 ARG A 46 -16.725 -1.261 -3.552 1.00 21.24 H new ATOM 0 HG2 ARG A 46 -14.895 0.531 -3.789 1.00 74.12 H new ATOM 0 HG3 ARG A 46 -13.863 -0.722 -4.450 1.00 74.12 H new ATOM 0 HD2 ARG A 46 -15.050 0.615 -6.231 1.00 21.54 H new ATOM 0 HD3 ARG A 46 -15.389 -1.102 -6.328 1.00 21.54 H new ATOM 0 HE ARG A 46 -17.401 0.058 -4.673 1.00 12.53 H new ATOM 0 HH11 ARG A 46 -16.417 0.184 -8.087 1.00 41.33 H new ATOM 0 HH12 ARG A 46 -18.049 0.574 -8.639 1.00 41.33 H new ATOM 0 HH21 ARG A 46 -19.465 0.477 -5.422 1.00 62.12 H new ATOM 0 HH22 ARG A 46 -19.760 0.738 -7.144 1.00 62.12 H new ATOM 807 N LYS A 47 -16.590 -3.478 -1.252 1.00 35.20 N ATOM 808 CA LYS A 47 -17.710 -4.190 -0.587 1.00 74.44 C ATOM 809 C LYS A 47 -17.617 -4.090 0.955 1.00 0.14 C ATOM 810 O LYS A 47 -18.616 -4.255 1.664 1.00 5.53 O ATOM 811 CB LYS A 47 -17.704 -5.679 -1.020 1.00 64.21 C ATOM 812 CG LYS A 47 -16.491 -6.494 -0.494 1.00 64.01 C ATOM 813 CD LYS A 47 -16.350 -7.876 -1.157 1.00 55.02 C ATOM 814 CE LYS A 47 -16.112 -7.778 -2.674 1.00 61.23 C ATOM 815 NZ LYS A 47 -15.856 -9.105 -3.282 1.00 21.23 N ATOM 0 H LYS A 47 -15.969 -4.094 -1.777 1.00 35.20 H new ATOM 0 HA LYS A 47 -18.643 -3.716 -0.893 1.00 74.44 H new ATOM 0 HB2 LYS A 47 -18.622 -6.150 -0.670 1.00 64.21 H new ATOM 0 HB3 LYS A 47 -17.715 -5.728 -2.109 1.00 64.21 H new ATOM 0 HG2 LYS A 47 -15.578 -5.923 -0.663 1.00 64.01 H new ATOM 0 HG3 LYS A 47 -16.590 -6.624 0.584 1.00 64.01 H new ATOM 0 HD2 LYS A 47 -15.522 -8.414 -0.696 1.00 55.02 H new ATOM 0 HD3 LYS A 47 -17.252 -8.459 -0.971 1.00 55.02 H new ATOM 0 HE2 LYS A 47 -16.981 -7.323 -3.149 1.00 61.23 H new ATOM 0 HE3 LYS A 47 -15.264 -7.121 -2.866 1.00 61.23 H new ATOM 0 HZ1 LYS A 47 -15.903 -9.027 -4.318 1.00 21.23 H new ATOM 0 HZ2 LYS A 47 -14.912 -9.439 -3.002 1.00 21.23 H new ATOM 0 HZ3 LYS A 47 -16.574 -9.782 -2.953 1.00 21.23 H new ATOM 829 N GLU A 48 -16.395 -3.824 1.439 1.00 53.52 N ATOM 830 CA GLU A 48 -16.051 -3.762 2.866 1.00 12.04 C ATOM 831 C GLU A 48 -15.494 -2.370 3.212 1.00 72.22 C ATOM 832 O GLU A 48 -14.760 -2.216 4.192 1.00 5.44 O ATOM 833 CB GLU A 48 -15.004 -4.875 3.161 1.00 42.03 C ATOM 834 CG GLU A 48 -13.754 -4.790 2.259 1.00 42.20 C ATOM 835 CD GLU A 48 -12.785 -5.964 2.422 1.00 71.31 C ATOM 836 OE1 GLU A 48 -13.087 -7.059 1.912 1.00 31.40 O ATOM 837 OE2 GLU A 48 -11.731 -5.807 3.074 1.00 15.34 O ATOM 0 H GLU A 48 -15.597 -3.641 0.831 1.00 53.52 H new ATOM 0 HA GLU A 48 -16.936 -3.925 3.481 1.00 12.04 H new ATOM 0 HB2 GLU A 48 -14.696 -4.808 4.204 1.00 42.03 H new ATOM 0 HB3 GLU A 48 -15.473 -5.850 3.029 1.00 42.03 H new ATOM 0 HG2 GLU A 48 -14.073 -4.738 1.218 1.00 42.20 H new ATOM 0 HG3 GLU A 48 -13.224 -3.863 2.477 1.00 42.20 H new ATOM 844 N SER A 49 -15.902 -1.345 2.434 1.00 53.13 N ATOM 845 CA SER A 49 -15.418 0.038 2.620 1.00 42.35 C ATOM 846 C SER A 49 -15.970 0.707 3.906 1.00 23.22 C ATOM 847 O SER A 49 -15.666 1.881 4.177 1.00 3.10 O ATOM 848 CB SER A 49 -15.741 0.886 1.371 1.00 0.31 C ATOM 849 OG SER A 49 -17.132 0.937 1.110 1.00 4.14 O ATOM 0 H SER A 49 -16.568 -1.451 1.669 1.00 53.13 H new ATOM 0 HA SER A 49 -14.337 -0.016 2.748 1.00 42.35 H new ATOM 0 HB2 SER A 49 -15.361 1.898 1.512 1.00 0.31 H new ATOM 0 HB3 SER A 49 -15.225 0.469 0.506 1.00 0.31 H new ATOM 0 HG SER A 49 -17.384 0.188 0.530 1.00 4.14 H new ATOM 855 N GLN A 50 -16.793 -0.055 4.672 1.00 42.21 N ATOM 856 CA GLN A 50 -17.268 0.307 6.020 1.00 32.14 C ATOM 857 C GLN A 50 -16.073 0.520 6.992 1.00 14.40 C ATOM 858 O GLN A 50 -15.594 -0.413 7.642 1.00 75.54 O ATOM 859 CB GLN A 50 -18.254 -0.792 6.538 1.00 62.21 C ATOM 860 CG GLN A 50 -17.714 -2.246 6.458 1.00 32.33 C ATOM 861 CD GLN A 50 -18.692 -3.289 7.005 1.00 2.34 C ATOM 862 OE1 GLN A 50 -19.510 -3.847 6.271 1.00 42.45 O ATOM 863 NE2 GLN A 50 -18.615 -3.572 8.297 1.00 32.42 N ATOM 0 H GLN A 50 -17.149 -0.957 4.356 1.00 42.21 H new ATOM 0 HA GLN A 50 -17.806 1.254 5.971 1.00 32.14 H new ATOM 0 HB2 GLN A 50 -18.509 -0.571 7.575 1.00 62.21 H new ATOM 0 HB3 GLN A 50 -19.178 -0.731 5.963 1.00 62.21 H new ATOM 0 HG2 GLN A 50 -17.484 -2.484 5.419 1.00 32.33 H new ATOM 0 HG3 GLN A 50 -16.779 -2.309 7.014 1.00 32.33 H new ATOM 0 HE21 GLN A 50 -17.929 -3.096 8.883 1.00 32.42 H new ATOM 0 HE22 GLN A 50 -19.241 -4.266 8.705 1.00 32.42 H new ATOM 872 N ASN A 51 -15.585 1.782 7.026 1.00 32.12 N ATOM 873 CA ASN A 51 -14.485 2.233 7.903 1.00 61.11 C ATOM 874 C ASN A 51 -13.169 1.497 7.562 1.00 60.30 C ATOM 875 O ASN A 51 -12.675 0.667 8.335 1.00 5.53 O ATOM 876 CB ASN A 51 -14.871 2.106 9.403 1.00 34.11 C ATOM 877 CG ASN A 51 -16.051 3.002 9.779 1.00 4.31 C ATOM 878 OD1 ASN A 51 -15.875 4.154 10.171 1.00 43.41 O ATOM 879 ND2 ASN A 51 -17.266 2.496 9.650 1.00 35.40 N ATOM 0 H ASN A 51 -15.953 2.526 6.434 1.00 32.12 H new ATOM 0 HA ASN A 51 -14.311 3.293 7.718 1.00 61.11 H new ATOM 0 HB2 ASN A 51 -15.121 1.068 9.624 1.00 34.11 H new ATOM 0 HB3 ASN A 51 -14.011 2.365 10.020 1.00 34.11 H new ATOM 0 HD21 ASN A 51 -18.082 3.064 9.878 1.00 35.40 H new ATOM 0 HD22 ASN A 51 -17.387 1.538 9.323 1.00 35.40 H new ATOM 886 N ILE A 52 -12.635 1.814 6.375 1.00 1.25 N ATOM 887 CA ILE A 52 -11.415 1.197 5.830 1.00 43.34 C ATOM 888 C ILE A 52 -10.337 2.269 5.564 1.00 44.10 C ATOM 889 O ILE A 52 -10.660 3.400 5.187 1.00 40.02 O ATOM 890 CB ILE A 52 -11.736 0.399 4.514 1.00 13.33 C ATOM 891 CG1 ILE A 52 -10.529 -0.489 4.089 1.00 24.22 C ATOM 892 CG2 ILE A 52 -12.171 1.347 3.363 1.00 52.00 C ATOM 893 CD1 ILE A 52 -10.829 -1.435 2.951 1.00 73.13 C ATOM 0 H ILE A 52 -13.043 2.515 5.757 1.00 1.25 H new ATOM 0 HA ILE A 52 -11.028 0.496 6.569 1.00 43.34 H new ATOM 0 HB ILE A 52 -12.577 -0.260 4.727 1.00 13.33 H new ATOM 0 HG12 ILE A 52 -9.700 0.157 3.801 1.00 24.22 H new ATOM 0 HG13 ILE A 52 -10.197 -1.068 4.951 1.00 24.22 H new ATOM 0 HG21 ILE A 52 -12.385 0.760 2.470 1.00 52.00 H new ATOM 0 HG22 ILE A 52 -13.066 1.894 3.661 1.00 52.00 H new ATOM 0 HG23 ILE A 52 -11.368 2.053 3.150 1.00 52.00 H new ATOM 0 HD11 ILE A 52 -9.937 -2.016 2.716 1.00 73.13 H new ATOM 0 HD12 ILE A 52 -11.636 -2.109 3.241 1.00 73.13 H new ATOM 0 HD13 ILE A 52 -11.131 -0.864 2.073 1.00 73.13 H new ATOM 905 N LYS A 53 -9.060 1.912 5.803 1.00 73.15 N ATOM 906 CA LYS A 53 -7.902 2.797 5.601 1.00 34.41 C ATOM 907 C LYS A 53 -6.797 1.965 4.942 1.00 60.52 C ATOM 908 O LYS A 53 -6.342 0.967 5.514 1.00 51.40 O ATOM 909 CB LYS A 53 -7.392 3.402 6.948 1.00 2.42 C ATOM 910 CG LYS A 53 -8.511 3.749 7.955 1.00 42.52 C ATOM 911 CD LYS A 53 -8.053 4.650 9.110 1.00 70.14 C ATOM 912 CE LYS A 53 -7.725 6.069 8.641 1.00 12.40 C ATOM 913 NZ LYS A 53 -8.867 6.704 7.937 1.00 65.43 N ATOM 0 H LYS A 53 -8.803 0.987 6.147 1.00 73.15 H new ATOM 0 HA LYS A 53 -8.191 3.637 4.969 1.00 34.41 H new ATOM 0 HB2 LYS A 53 -6.707 2.694 7.414 1.00 2.42 H new ATOM 0 HB3 LYS A 53 -6.820 4.305 6.733 1.00 2.42 H new ATOM 0 HG2 LYS A 53 -9.324 4.243 7.423 1.00 42.52 H new ATOM 0 HG3 LYS A 53 -8.915 2.824 8.367 1.00 42.52 H new ATOM 0 HD2 LYS A 53 -8.835 4.691 9.868 1.00 70.14 H new ATOM 0 HD3 LYS A 53 -7.173 4.213 9.583 1.00 70.14 H new ATOM 0 HE2 LYS A 53 -7.446 6.679 9.500 1.00 12.40 H new ATOM 0 HE3 LYS A 53 -6.861 6.040 7.977 1.00 12.40 H new ATOM 0 HZ1 LYS A 53 -8.935 7.703 8.217 1.00 65.43 H new ATOM 0 HZ2 LYS A 53 -8.720 6.641 6.909 1.00 65.43 H new ATOM 0 HZ3 LYS A 53 -9.748 6.213 8.191 1.00 65.43 H new ATOM 927 N VAL A 54 -6.402 2.364 3.737 1.00 33.41 N ATOM 928 CA VAL A 54 -5.387 1.674 2.936 1.00 23.32 C ATOM 929 C VAL A 54 -4.141 2.570 2.813 1.00 13.23 C ATOM 930 O VAL A 54 -4.263 3.777 2.644 1.00 51.11 O ATOM 931 CB VAL A 54 -5.949 1.312 1.515 1.00 63.33 C ATOM 932 CG1 VAL A 54 -4.889 0.599 0.649 1.00 72.11 C ATOM 933 CG2 VAL A 54 -7.245 0.465 1.628 1.00 5.33 C ATOM 0 H VAL A 54 -6.783 3.191 3.278 1.00 33.41 H new ATOM 0 HA VAL A 54 -5.114 0.743 3.432 1.00 23.32 H new ATOM 0 HB VAL A 54 -6.201 2.247 1.014 1.00 63.33 H new ATOM 0 HG11 VAL A 54 -5.314 0.364 -0.327 1.00 72.11 H new ATOM 0 HG12 VAL A 54 -4.025 1.251 0.521 1.00 72.11 H new ATOM 0 HG13 VAL A 54 -4.578 -0.323 1.140 1.00 72.11 H new ATOM 0 HG21 VAL A 54 -7.613 0.228 0.630 1.00 5.33 H new ATOM 0 HG22 VAL A 54 -7.030 -0.459 2.164 1.00 5.33 H new ATOM 0 HG23 VAL A 54 -8.003 1.031 2.170 1.00 5.33 H new ATOM 943 N LEU A 55 -2.954 1.972 2.940 1.00 3.15 N ATOM 944 CA LEU A 55 -1.665 2.648 2.744 1.00 41.42 C ATOM 945 C LEU A 55 -0.973 2.021 1.527 1.00 24.32 C ATOM 946 O LEU A 55 -0.590 0.850 1.571 1.00 62.14 O ATOM 947 CB LEU A 55 -0.786 2.489 4.009 1.00 34.35 C ATOM 948 CG LEU A 55 0.632 3.155 3.955 1.00 12.33 C ATOM 949 CD1 LEU A 55 0.552 4.695 3.902 1.00 22.21 C ATOM 950 CD2 LEU A 55 1.514 2.669 5.118 1.00 43.23 C ATOM 0 H LEU A 55 -2.858 0.987 3.186 1.00 3.15 H new ATOM 0 HA LEU A 55 -1.820 3.713 2.572 1.00 41.42 H new ATOM 0 HB2 LEU A 55 -1.328 2.906 4.858 1.00 34.35 H new ATOM 0 HB3 LEU A 55 -0.657 1.425 4.205 1.00 34.35 H new ATOM 0 HG LEU A 55 1.103 2.838 3.025 1.00 12.33 H new ATOM 0 HD11 LEU A 55 1.559 5.111 3.866 1.00 22.21 H new ATOM 0 HD12 LEU A 55 0.001 5.000 3.012 1.00 22.21 H new ATOM 0 HD13 LEU A 55 0.039 5.063 4.790 1.00 22.21 H new ATOM 0 HD21 LEU A 55 2.492 3.146 5.057 1.00 43.23 H new ATOM 0 HD22 LEU A 55 1.042 2.929 6.066 1.00 43.23 H new ATOM 0 HD23 LEU A 55 1.634 1.587 5.057 1.00 43.23 H new ATOM 962 N ILE A 56 -0.830 2.795 0.434 1.00 53.20 N ATOM 963 CA ILE A 56 -0.204 2.305 -0.812 1.00 42.44 C ATOM 964 C ILE A 56 1.239 2.837 -0.903 1.00 32.25 C ATOM 965 O ILE A 56 1.441 4.045 -0.970 1.00 32.54 O ATOM 966 CB ILE A 56 -1.026 2.716 -2.096 1.00 50.40 C ATOM 967 CG1 ILE A 56 -2.469 2.112 -2.030 1.00 43.43 C ATOM 968 CG2 ILE A 56 -0.291 2.273 -3.396 1.00 60.53 C ATOM 969 CD1 ILE A 56 -3.385 2.496 -3.182 1.00 32.10 C ATOM 0 H ILE A 56 -1.140 3.766 0.388 1.00 53.20 H new ATOM 0 HA ILE A 56 -0.195 1.216 -0.778 1.00 42.44 H new ATOM 0 HB ILE A 56 -1.109 3.803 -2.120 1.00 50.40 H new ATOM 0 HG12 ILE A 56 -2.390 1.025 -1.997 1.00 43.43 H new ATOM 0 HG13 ILE A 56 -2.935 2.426 -1.096 1.00 43.43 H new ATOM 0 HG21 ILE A 56 -0.879 2.568 -4.265 1.00 60.53 H new ATOM 0 HG22 ILE A 56 0.688 2.750 -3.441 1.00 60.53 H new ATOM 0 HG23 ILE A 56 -0.167 1.190 -3.393 1.00 60.53 H new ATOM 0 HD11 ILE A 56 -4.360 2.028 -3.044 1.00 32.10 H new ATOM 0 HD12 ILE A 56 -3.503 3.579 -3.207 1.00 32.10 H new ATOM 0 HD13 ILE A 56 -2.950 2.157 -4.122 1.00 32.10 H new ATOM 981 N LEU A 57 2.231 1.919 -0.885 1.00 3.11 N ATOM 982 CA LEU A 57 3.663 2.264 -0.982 1.00 61.04 C ATOM 983 C LEU A 57 4.142 1.954 -2.402 1.00 25.23 C ATOM 984 O LEU A 57 4.210 0.794 -2.794 1.00 11.21 O ATOM 985 CB LEU A 57 4.534 1.462 0.049 1.00 3.50 C ATOM 986 CG LEU A 57 4.215 1.653 1.576 1.00 74.30 C ATOM 987 CD1 LEU A 57 4.100 3.136 1.959 1.00 23.10 C ATOM 988 CD2 LEU A 57 2.970 0.859 2.007 1.00 44.33 C ATOM 0 H LEU A 57 2.059 0.917 -0.803 1.00 3.11 H new ATOM 0 HA LEU A 57 3.777 3.323 -0.752 1.00 61.04 H new ATOM 0 HB2 LEU A 57 4.438 0.401 -0.184 1.00 3.50 H new ATOM 0 HB3 LEU A 57 5.578 1.731 -0.112 1.00 3.50 H new ATOM 0 HG LEU A 57 5.063 1.245 2.126 1.00 74.30 H new ATOM 0 HD11 LEU A 57 3.879 3.221 3.023 1.00 23.10 H new ATOM 0 HD12 LEU A 57 5.041 3.642 1.742 1.00 23.10 H new ATOM 0 HD13 LEU A 57 3.298 3.599 1.384 1.00 23.10 H new ATOM 0 HD21 LEU A 57 2.786 1.020 3.069 1.00 44.33 H new ATOM 0 HD22 LEU A 57 2.107 1.197 1.434 1.00 44.33 H new ATOM 0 HD23 LEU A 57 3.134 -0.203 1.824 1.00 44.33 H new ATOM 1000 N VAL A 58 4.478 3.000 -3.162 1.00 14.43 N ATOM 1001 CA VAL A 58 4.970 2.875 -4.543 1.00 23.15 C ATOM 1002 C VAL A 58 6.469 3.198 -4.584 1.00 52.54 C ATOM 1003 O VAL A 58 7.006 3.745 -3.633 1.00 60.33 O ATOM 1004 CB VAL A 58 4.182 3.839 -5.507 1.00 71.24 C ATOM 1005 CG1 VAL A 58 2.668 3.539 -5.481 1.00 22.42 C ATOM 1006 CG2 VAL A 58 4.446 5.316 -5.162 1.00 50.32 C ATOM 0 H VAL A 58 4.417 3.965 -2.837 1.00 14.43 H new ATOM 0 HA VAL A 58 4.809 1.851 -4.881 1.00 23.15 H new ATOM 0 HB VAL A 58 4.548 3.658 -6.518 1.00 71.24 H new ATOM 0 HG11 VAL A 58 2.150 4.220 -6.156 1.00 22.42 H new ATOM 0 HG12 VAL A 58 2.495 2.511 -5.800 1.00 22.42 H new ATOM 0 HG13 VAL A 58 2.288 3.673 -4.468 1.00 22.42 H new ATOM 0 HG21 VAL A 58 3.887 5.955 -5.846 1.00 50.32 H new ATOM 0 HG22 VAL A 58 4.127 5.513 -4.139 1.00 50.32 H new ATOM 0 HG23 VAL A 58 5.511 5.527 -5.257 1.00 50.32 H new ATOM 1016 N SER A 59 7.140 2.852 -5.681 1.00 72.11 N ATOM 1017 CA SER A 59 8.555 3.232 -5.904 1.00 12.12 C ATOM 1018 C SER A 59 8.685 4.195 -7.105 1.00 44.54 C ATOM 1019 O SER A 59 9.798 4.501 -7.552 1.00 3.22 O ATOM 1020 CB SER A 59 9.406 1.958 -6.098 1.00 35.25 C ATOM 1021 OG SER A 59 9.318 1.102 -4.967 1.00 23.24 O ATOM 0 H SER A 59 6.733 2.306 -6.440 1.00 72.11 H new ATOM 0 HA SER A 59 8.927 3.765 -5.029 1.00 12.12 H new ATOM 0 HB2 SER A 59 9.070 1.425 -6.987 1.00 35.25 H new ATOM 0 HB3 SER A 59 10.447 2.235 -6.267 1.00 35.25 H new ATOM 0 HG SER A 59 9.452 0.173 -5.249 1.00 23.24 H new ATOM 1027 N ASN A 60 7.529 4.711 -7.583 1.00 13.52 N ATOM 1028 CA ASN A 60 7.448 5.599 -8.772 1.00 75.50 C ATOM 1029 C ASN A 60 6.475 6.755 -8.499 1.00 41.12 C ATOM 1030 O ASN A 60 5.412 6.526 -7.936 1.00 32.20 O ATOM 1031 CB ASN A 60 6.963 4.802 -10.025 1.00 71.14 C ATOM 1032 CG ASN A 60 7.961 3.756 -10.527 1.00 73.11 C ATOM 1033 OD1 ASN A 60 9.175 3.925 -10.417 1.00 42.44 O ATOM 1034 ND2 ASN A 60 7.458 2.677 -11.108 1.00 42.32 N ATOM 0 H ASN A 60 6.622 4.524 -7.155 1.00 13.52 H new ATOM 0 HA ASN A 60 8.444 5.996 -8.969 1.00 75.50 H new ATOM 0 HB2 ASN A 60 6.023 4.305 -9.784 1.00 71.14 H new ATOM 0 HB3 ASN A 60 6.755 5.505 -10.831 1.00 71.14 H new ATOM 0 HD21 ASN A 60 8.081 1.960 -11.478 1.00 42.32 H new ATOM 0 HD22 ASN A 60 6.447 2.564 -11.185 1.00 42.32 H new ATOM 1041 N ASP A 61 6.854 7.988 -8.903 1.00 0.52 N ATOM 1042 CA ASP A 61 5.973 9.185 -8.827 1.00 43.12 C ATOM 1043 C ASP A 61 4.752 9.063 -9.760 1.00 1.42 C ATOM 1044 O ASP A 61 3.688 9.635 -9.481 1.00 52.43 O ATOM 1045 CB ASP A 61 6.768 10.476 -9.174 1.00 71.32 C ATOM 1046 CG ASP A 61 7.799 10.834 -8.102 1.00 13.43 C ATOM 1047 OD1 ASP A 61 7.403 11.411 -7.067 1.00 5.51 O ATOM 1048 OD2 ASP A 61 9.000 10.517 -8.267 1.00 73.24 O ATOM 0 H ASP A 61 7.776 8.186 -9.291 1.00 0.52 H new ATOM 0 HA ASP A 61 5.610 9.247 -7.801 1.00 43.12 H new ATOM 0 HB2 ASP A 61 7.274 10.341 -10.130 1.00 71.32 H new ATOM 0 HB3 ASP A 61 6.072 11.306 -9.296 1.00 71.32 H new ATOM 1053 N GLU A 62 4.931 8.333 -10.874 1.00 0.44 N ATOM 1054 CA GLU A 62 3.859 8.073 -11.845 1.00 61.30 C ATOM 1055 C GLU A 62 2.814 7.138 -11.216 1.00 24.33 C ATOM 1056 O GLU A 62 1.610 7.386 -11.323 1.00 54.24 O ATOM 1057 CB GLU A 62 4.451 7.473 -13.145 1.00 33.41 C ATOM 1058 CG GLU A 62 3.439 7.294 -14.298 1.00 53.10 C ATOM 1059 CD GLU A 62 4.088 6.768 -15.586 1.00 63.11 C ATOM 1060 OE1 GLU A 62 4.696 7.570 -16.328 1.00 42.22 O ATOM 1061 OE2 GLU A 62 4.019 5.548 -15.855 1.00 53.44 O ATOM 0 H GLU A 62 5.823 7.907 -11.125 1.00 0.44 H new ATOM 0 HA GLU A 62 3.366 9.009 -12.109 1.00 61.30 H new ATOM 0 HB2 GLU A 62 5.261 8.116 -13.489 1.00 33.41 H new ATOM 0 HB3 GLU A 62 4.891 6.503 -12.913 1.00 33.41 H new ATOM 0 HG2 GLU A 62 2.656 6.604 -13.984 1.00 53.10 H new ATOM 0 HG3 GLU A 62 2.958 8.250 -14.504 1.00 53.10 H new ATOM 1068 N GLU A 63 3.308 6.086 -10.518 1.00 41.11 N ATOM 1069 CA GLU A 63 2.464 5.126 -9.779 1.00 35.43 C ATOM 1070 C GLU A 63 1.871 5.741 -8.493 1.00 21.54 C ATOM 1071 O GLU A 63 0.843 5.260 -7.997 1.00 60.33 O ATOM 1072 CB GLU A 63 3.209 3.792 -9.498 1.00 14.34 C ATOM 1073 CG GLU A 63 3.519 2.965 -10.772 1.00 34.11 C ATOM 1074 CD GLU A 63 2.280 2.760 -11.682 1.00 25.42 C ATOM 1075 OE1 GLU A 63 1.417 1.908 -11.360 1.00 72.11 O ATOM 1076 OE2 GLU A 63 2.155 3.462 -12.711 1.00 51.04 O ATOM 0 H GLU A 63 4.305 5.883 -10.454 1.00 41.11 H new ATOM 0 HA GLU A 63 1.621 4.886 -10.427 1.00 35.43 H new ATOM 0 HB2 GLU A 63 4.144 4.011 -8.983 1.00 14.34 H new ATOM 0 HB3 GLU A 63 2.606 3.186 -8.821 1.00 14.34 H new ATOM 0 HG2 GLU A 63 4.301 3.466 -11.342 1.00 34.11 H new ATOM 0 HG3 GLU A 63 3.912 1.991 -10.479 1.00 34.11 H new ATOM 1083 N LEU A 64 2.563 6.746 -7.921 1.00 4.31 N ATOM 1084 CA LEU A 64 2.030 7.563 -6.810 1.00 65.25 C ATOM 1085 C LEU A 64 0.693 8.206 -7.227 1.00 53.03 C ATOM 1086 O LEU A 64 -0.352 7.937 -6.626 1.00 25.43 O ATOM 1087 CB LEU A 64 3.062 8.664 -6.421 1.00 13.52 C ATOM 1088 CG LEU A 64 2.715 9.539 -5.171 1.00 52.12 C ATOM 1089 CD1 LEU A 64 2.786 8.711 -3.877 1.00 74.32 C ATOM 1090 CD2 LEU A 64 3.627 10.783 -5.085 1.00 21.21 C ATOM 0 H LEU A 64 3.503 7.014 -8.213 1.00 4.31 H new ATOM 0 HA LEU A 64 1.856 6.923 -5.945 1.00 65.25 H new ATOM 0 HB2 LEU A 64 4.023 8.182 -6.243 1.00 13.52 H new ATOM 0 HB3 LEU A 64 3.191 9.327 -7.276 1.00 13.52 H new ATOM 0 HG LEU A 64 1.689 9.888 -5.288 1.00 52.12 H new ATOM 0 HD11 LEU A 64 2.540 9.345 -3.025 1.00 74.32 H new ATOM 0 HD12 LEU A 64 2.075 7.887 -3.933 1.00 74.32 H new ATOM 0 HD13 LEU A 64 3.793 8.313 -3.754 1.00 74.32 H new ATOM 0 HD21 LEU A 64 3.360 11.370 -4.206 1.00 21.21 H new ATOM 0 HD22 LEU A 64 4.667 10.467 -5.008 1.00 21.21 H new ATOM 0 HD23 LEU A 64 3.498 11.391 -5.980 1.00 21.21 H new ATOM 1102 N ASP A 65 0.749 9.018 -8.303 1.00 42.24 N ATOM 1103 CA ASP A 65 -0.420 9.745 -8.832 1.00 4.35 C ATOM 1104 C ASP A 65 -1.469 8.762 -9.396 1.00 15.53 C ATOM 1105 O ASP A 65 -2.673 9.015 -9.305 1.00 44.22 O ATOM 1106 CB ASP A 65 0.016 10.781 -9.903 1.00 53.15 C ATOM 1107 CG ASP A 65 -1.089 11.815 -10.192 1.00 31.44 C ATOM 1108 OD1 ASP A 65 -1.135 12.849 -9.491 1.00 65.45 O ATOM 1109 OD2 ASP A 65 -1.929 11.593 -11.092 1.00 51.34 O ATOM 0 H ASP A 65 1.607 9.187 -8.828 1.00 42.24 H new ATOM 0 HA ASP A 65 -0.885 10.290 -8.011 1.00 4.35 H new ATOM 0 HB2 ASP A 65 0.915 11.296 -9.564 1.00 53.15 H new ATOM 0 HB3 ASP A 65 0.276 10.261 -10.825 1.00 53.15 H new ATOM 1114 N LYS A 66 -0.969 7.635 -9.940 1.00 33.21 N ATOM 1115 CA LYS A 66 -1.782 6.516 -10.468 1.00 21.23 C ATOM 1116 C LYS A 66 -2.724 5.986 -9.382 1.00 14.35 C ATOM 1117 O LYS A 66 -3.942 5.933 -9.568 1.00 23.44 O ATOM 1118 CB LYS A 66 -0.820 5.378 -10.901 1.00 24.05 C ATOM 1119 CG LYS A 66 -1.428 4.166 -11.630 1.00 1.43 C ATOM 1120 CD LYS A 66 -1.724 4.460 -13.123 1.00 64.31 C ATOM 1121 CE LYS A 66 -1.679 3.199 -13.986 1.00 75.45 C ATOM 1122 NZ LYS A 66 -0.337 2.542 -13.956 1.00 62.42 N ATOM 0 H LYS A 66 0.034 7.471 -10.028 1.00 33.21 H new ATOM 0 HA LYS A 66 -2.377 6.863 -11.312 1.00 21.23 H new ATOM 0 HB2 LYS A 66 -0.058 5.811 -11.549 1.00 24.05 H new ATOM 0 HB3 LYS A 66 -0.310 5.012 -10.010 1.00 24.05 H new ATOM 0 HG2 LYS A 66 -0.743 3.321 -11.558 1.00 1.43 H new ATOM 0 HG3 LYS A 66 -2.351 3.871 -11.131 1.00 1.43 H new ATOM 0 HD2 LYS A 66 -2.707 4.922 -13.211 1.00 64.31 H new ATOM 0 HD3 LYS A 66 -0.998 5.181 -13.499 1.00 64.31 H new ATOM 0 HE2 LYS A 66 -2.434 2.495 -13.637 1.00 75.45 H new ATOM 0 HE3 LYS A 66 -1.933 3.455 -15.014 1.00 75.45 H new ATOM 0 HZ1 LYS A 66 -0.238 1.918 -14.782 1.00 62.42 H new ATOM 0 HZ2 LYS A 66 0.406 3.269 -13.980 1.00 62.42 H new ATOM 0 HZ3 LYS A 66 -0.244 1.981 -13.085 1.00 62.42 H new ATOM 1136 N ALA A 67 -2.123 5.652 -8.228 1.00 64.30 N ATOM 1137 CA ALA A 67 -2.824 5.051 -7.091 1.00 13.52 C ATOM 1138 C ALA A 67 -3.774 6.060 -6.435 1.00 22.24 C ATOM 1139 O ALA A 67 -4.789 5.656 -5.868 1.00 70.22 O ATOM 1140 CB ALA A 67 -1.806 4.503 -6.085 1.00 41.45 C ATOM 0 H ALA A 67 -1.127 5.795 -8.061 1.00 64.30 H new ATOM 0 HA ALA A 67 -3.434 4.222 -7.450 1.00 13.52 H new ATOM 0 HB1 ALA A 67 -2.332 4.057 -5.241 1.00 41.45 H new ATOM 0 HB2 ALA A 67 -1.188 3.746 -6.568 1.00 41.45 H new ATOM 0 HB3 ALA A 67 -1.173 5.316 -5.729 1.00 41.45 H new ATOM 1146 N LYS A 68 -3.425 7.369 -6.509 1.00 24.33 N ATOM 1147 CA LYS A 68 -4.306 8.456 -6.031 1.00 72.13 C ATOM 1148 C LYS A 68 -5.592 8.529 -6.882 1.00 43.02 C ATOM 1149 O LYS A 68 -6.694 8.642 -6.330 1.00 74.54 O ATOM 1150 CB LYS A 68 -3.571 9.829 -6.025 1.00 70.02 C ATOM 1151 CG LYS A 68 -2.364 9.889 -5.056 1.00 74.02 C ATOM 1152 CD LYS A 68 -1.821 11.312 -4.756 1.00 52.20 C ATOM 1153 CE LYS A 68 -1.236 12.056 -5.977 1.00 32.32 C ATOM 1154 NZ LYS A 68 -2.283 12.656 -6.847 1.00 54.42 N ATOM 0 H LYS A 68 -2.539 7.694 -6.896 1.00 24.33 H new ATOM 0 HA LYS A 68 -4.583 8.227 -5.002 1.00 72.13 H new ATOM 0 HB2 LYS A 68 -3.225 10.050 -7.035 1.00 70.02 H new ATOM 0 HB3 LYS A 68 -4.282 10.610 -5.754 1.00 70.02 H new ATOM 0 HG2 LYS A 68 -2.652 9.423 -4.114 1.00 74.02 H new ATOM 0 HG3 LYS A 68 -1.555 9.290 -5.473 1.00 74.02 H new ATOM 0 HD2 LYS A 68 -2.628 11.912 -4.336 1.00 52.20 H new ATOM 0 HD3 LYS A 68 -1.049 11.236 -3.991 1.00 52.20 H new ATOM 0 HE2 LYS A 68 -0.565 12.842 -5.630 1.00 32.32 H new ATOM 0 HE3 LYS A 68 -0.636 11.362 -6.565 1.00 32.32 H new ATOM 0 HZ1 LYS A 68 -2.111 12.384 -7.836 1.00 54.42 H new ATOM 0 HZ2 LYS A 68 -3.219 12.312 -6.551 1.00 54.42 H new ATOM 0 HZ3 LYS A 68 -2.252 13.692 -6.763 1.00 54.42 H new ATOM 1168 N GLU A 69 -5.435 8.430 -8.229 1.00 50.30 N ATOM 1169 CA GLU A 69 -6.574 8.442 -9.179 1.00 3.52 C ATOM 1170 C GLU A 69 -7.517 7.273 -8.869 1.00 14.24 C ATOM 1171 O GLU A 69 -8.709 7.479 -8.634 1.00 20.12 O ATOM 1172 CB GLU A 69 -6.087 8.334 -10.652 1.00 35.21 C ATOM 1173 CG GLU A 69 -5.233 9.519 -11.139 1.00 60.31 C ATOM 1174 CD GLU A 69 -4.605 9.264 -12.519 1.00 65.32 C ATOM 1175 OE1 GLU A 69 -3.672 8.439 -12.603 1.00 34.51 O ATOM 1176 OE2 GLU A 69 -5.061 9.855 -13.522 1.00 72.44 O ATOM 0 H GLU A 69 -4.525 8.341 -8.680 1.00 50.30 H new ATOM 0 HA GLU A 69 -7.100 9.389 -9.061 1.00 3.52 H new ATOM 0 HB2 GLU A 69 -5.507 7.417 -10.762 1.00 35.21 H new ATOM 0 HB3 GLU A 69 -6.957 8.241 -11.302 1.00 35.21 H new ATOM 0 HG2 GLU A 69 -5.853 10.415 -11.185 1.00 60.31 H new ATOM 0 HG3 GLU A 69 -4.443 9.715 -10.414 1.00 60.31 H new ATOM 1183 N LEU A 70 -6.921 6.059 -8.803 1.00 3.11 N ATOM 1184 CA LEU A 70 -7.641 4.783 -8.621 1.00 31.32 C ATOM 1185 C LEU A 70 -8.406 4.764 -7.288 1.00 74.34 C ATOM 1186 O LEU A 70 -9.550 4.296 -7.229 1.00 41.15 O ATOM 1187 CB LEU A 70 -6.637 3.592 -8.706 1.00 20.25 C ATOM 1188 CG LEU A 70 -5.892 3.441 -10.068 1.00 3.33 C ATOM 1189 CD1 LEU A 70 -4.810 2.340 -10.014 1.00 50.25 C ATOM 1190 CD2 LEU A 70 -6.888 3.210 -11.225 1.00 14.13 C ATOM 0 H LEU A 70 -5.911 5.940 -8.876 1.00 3.11 H new ATOM 0 HA LEU A 70 -8.375 4.680 -9.420 1.00 31.32 H new ATOM 0 HB2 LEU A 70 -5.895 3.707 -7.916 1.00 20.25 H new ATOM 0 HB3 LEU A 70 -7.178 2.668 -8.503 1.00 20.25 H new ATOM 0 HG LEU A 70 -5.374 4.380 -10.263 1.00 3.33 H new ATOM 0 HD11 LEU A 70 -4.316 2.268 -10.983 1.00 50.25 H new ATOM 0 HD12 LEU A 70 -4.075 2.590 -9.249 1.00 50.25 H new ATOM 0 HD13 LEU A 70 -5.275 1.384 -9.772 1.00 50.25 H new ATOM 0 HD21 LEU A 70 -6.340 3.108 -12.162 1.00 14.13 H new ATOM 0 HD22 LEU A 70 -7.459 2.300 -11.038 1.00 14.13 H new ATOM 0 HD23 LEU A 70 -7.569 4.058 -11.293 1.00 14.13 H new ATOM 1202 N ALA A 71 -7.747 5.275 -6.225 1.00 43.44 N ATOM 1203 CA ALA A 71 -8.336 5.428 -4.881 1.00 50.55 C ATOM 1204 C ALA A 71 -9.611 6.281 -4.915 1.00 52.52 C ATOM 1205 O ALA A 71 -10.630 5.913 -4.313 1.00 54.42 O ATOM 1206 CB ALA A 71 -7.304 6.065 -3.936 1.00 71.14 C ATOM 0 H ALA A 71 -6.780 5.596 -6.279 1.00 43.44 H new ATOM 0 HA ALA A 71 -8.610 4.438 -4.517 1.00 50.55 H new ATOM 0 HB1 ALA A 71 -7.740 6.178 -2.943 1.00 71.14 H new ATOM 0 HB2 ALA A 71 -6.423 5.426 -3.875 1.00 71.14 H new ATOM 0 HB3 ALA A 71 -7.016 7.044 -4.319 1.00 71.14 H new ATOM 1212 N GLN A 72 -9.533 7.422 -5.637 1.00 1.24 N ATOM 1213 CA GLN A 72 -10.656 8.362 -5.784 1.00 3.54 C ATOM 1214 C GLN A 72 -11.792 7.751 -6.621 1.00 14.22 C ATOM 1215 O GLN A 72 -12.962 8.025 -6.342 1.00 51.22 O ATOM 1216 CB GLN A 72 -10.179 9.706 -6.397 1.00 4.51 C ATOM 1217 CG GLN A 72 -9.154 10.466 -5.523 1.00 71.24 C ATOM 1218 CD GLN A 72 -8.680 11.789 -6.139 1.00 34.32 C ATOM 1219 OE1 GLN A 72 -9.422 12.467 -6.850 1.00 32.14 O ATOM 1220 NE2 GLN A 72 -7.434 12.160 -5.893 1.00 42.24 N ATOM 0 H GLN A 72 -8.689 7.712 -6.131 1.00 1.24 H new ATOM 0 HA GLN A 72 -11.049 8.564 -4.788 1.00 3.54 H new ATOM 0 HB2 GLN A 72 -9.735 9.511 -7.373 1.00 4.51 H new ATOM 0 HB3 GLN A 72 -11.046 10.346 -6.563 1.00 4.51 H new ATOM 0 HG2 GLN A 72 -9.599 10.668 -4.549 1.00 71.24 H new ATOM 0 HG3 GLN A 72 -8.289 9.825 -5.352 1.00 71.24 H new ATOM 0 HE21 GLN A 72 -6.837 11.582 -5.301 1.00 42.24 H new ATOM 0 HE22 GLN A 72 -7.070 13.024 -6.295 1.00 42.24 H new ATOM 1229 N LYS A 73 -11.446 6.884 -7.612 1.00 53.53 N ATOM 1230 CA LYS A 73 -12.459 6.190 -8.459 1.00 14.44 C ATOM 1231 C LYS A 73 -13.382 5.299 -7.608 1.00 3.42 C ATOM 1232 O LYS A 73 -14.529 5.045 -7.977 1.00 72.11 O ATOM 1233 CB LYS A 73 -11.804 5.305 -9.570 1.00 72.44 C ATOM 1234 CG LYS A 73 -10.772 6.000 -10.484 1.00 22.42 C ATOM 1235 CD LYS A 73 -11.271 7.309 -11.138 1.00 4.25 C ATOM 1236 CE LYS A 73 -12.448 7.113 -12.111 1.00 23.32 C ATOM 1237 NZ LYS A 73 -12.807 8.385 -12.788 1.00 42.21 N ATOM 0 H LYS A 73 -10.481 6.650 -7.844 1.00 53.53 H new ATOM 0 HA LYS A 73 -13.039 6.980 -8.936 1.00 14.44 H new ATOM 0 HB2 LYS A 73 -11.317 4.457 -9.088 1.00 72.44 H new ATOM 0 HB3 LYS A 73 -12.599 4.901 -10.198 1.00 72.44 H new ATOM 0 HG2 LYS A 73 -9.878 6.219 -9.900 1.00 22.42 H new ATOM 0 HG3 LYS A 73 -10.477 5.306 -11.271 1.00 22.42 H new ATOM 0 HD2 LYS A 73 -11.573 8.003 -10.354 1.00 4.25 H new ATOM 0 HD3 LYS A 73 -10.443 7.774 -11.674 1.00 4.25 H new ATOM 0 HE2 LYS A 73 -12.185 6.363 -12.857 1.00 23.32 H new ATOM 0 HE3 LYS A 73 -13.312 6.732 -11.567 1.00 23.32 H new ATOM 0 HZ1 LYS A 73 -13.603 8.220 -13.437 1.00 42.21 H new ATOM 0 HZ2 LYS A 73 -13.081 9.092 -12.076 1.00 42.21 H new ATOM 0 HZ3 LYS A 73 -11.989 8.735 -13.326 1.00 42.21 H new ATOM 1251 N MET A 74 -12.857 4.828 -6.470 1.00 44.51 N ATOM 1252 CA MET A 74 -13.592 3.956 -5.536 1.00 72.35 C ATOM 1253 C MET A 74 -14.087 4.766 -4.312 1.00 35.04 C ATOM 1254 O MET A 74 -14.959 4.298 -3.573 1.00 74.02 O ATOM 1255 CB MET A 74 -12.654 2.827 -5.047 1.00 20.34 C ATOM 1256 CG MET A 74 -11.804 2.157 -6.127 1.00 14.33 C ATOM 1257 SD MET A 74 -12.754 1.228 -7.341 1.00 5.22 S ATOM 1258 CE MET A 74 -11.417 0.477 -8.275 1.00 20.31 C ATOM 0 H MET A 74 -11.906 5.040 -6.167 1.00 44.51 H new ATOM 0 HA MET A 74 -14.453 3.534 -6.054 1.00 72.35 H new ATOM 0 HB2 MET A 74 -11.987 3.237 -4.288 1.00 20.34 H new ATOM 0 HB3 MET A 74 -13.259 2.062 -4.560 1.00 20.34 H new ATOM 0 HG2 MET A 74 -11.224 2.922 -6.644 1.00 14.33 H new ATOM 0 HG3 MET A 74 -11.091 1.485 -5.648 1.00 14.33 H new ATOM 0 HE1 MET A 74 -11.825 -0.036 -9.146 1.00 20.31 H new ATOM 0 HE2 MET A 74 -10.722 1.251 -8.602 1.00 20.31 H new ATOM 0 HE3 MET A 74 -10.891 -0.241 -7.645 1.00 20.31 H new ATOM 1268 N GLU A 75 -13.520 5.986 -4.142 1.00 3.14 N ATOM 1269 CA GLU A 75 -13.673 6.840 -2.940 1.00 2.20 C ATOM 1270 C GLU A 75 -13.314 6.094 -1.628 1.00 23.44 C ATOM 1271 O GLU A 75 -13.911 6.345 -0.574 1.00 31.53 O ATOM 1272 CB GLU A 75 -15.089 7.478 -2.868 1.00 31.43 C ATOM 1273 CG GLU A 75 -15.416 8.445 -4.025 1.00 11.11 C ATOM 1274 CD GLU A 75 -16.703 9.245 -3.774 1.00 42.15 C ATOM 1275 OE1 GLU A 75 -16.638 10.297 -3.095 1.00 11.22 O ATOM 1276 OE2 GLU A 75 -17.790 8.820 -4.223 1.00 13.53 O ATOM 0 H GLU A 75 -12.929 6.413 -4.855 1.00 3.14 H new ATOM 0 HA GLU A 75 -12.951 7.650 -3.042 1.00 2.20 H new ATOM 0 HB2 GLU A 75 -15.832 6.681 -2.857 1.00 31.43 H new ATOM 0 HB3 GLU A 75 -15.184 8.016 -1.925 1.00 31.43 H new ATOM 0 HG2 GLU A 75 -14.584 9.135 -4.164 1.00 11.11 H new ATOM 0 HG3 GLU A 75 -15.518 7.878 -4.950 1.00 11.11 H new ATOM 1283 N ILE A 76 -12.309 5.205 -1.702 1.00 21.12 N ATOM 1284 CA ILE A 76 -11.761 4.504 -0.523 1.00 42.10 C ATOM 1285 C ILE A 76 -10.718 5.415 0.149 1.00 60.50 C ATOM 1286 O ILE A 76 -9.946 6.089 -0.553 1.00 3.03 O ATOM 1287 CB ILE A 76 -11.114 3.121 -0.932 1.00 25.22 C ATOM 1288 CG1 ILE A 76 -12.204 2.173 -1.522 1.00 24.43 C ATOM 1289 CG2 ILE A 76 -10.385 2.436 0.254 1.00 63.52 C ATOM 1290 CD1 ILE A 76 -11.674 0.847 -2.035 1.00 3.14 C ATOM 0 H ILE A 76 -11.853 4.951 -2.578 1.00 21.12 H new ATOM 0 HA ILE A 76 -12.568 4.288 0.177 1.00 42.10 H new ATOM 0 HB ILE A 76 -10.361 3.326 -1.693 1.00 25.22 H new ATOM 0 HG12 ILE A 76 -12.952 1.978 -0.754 1.00 24.43 H new ATOM 0 HG13 ILE A 76 -12.712 2.687 -2.338 1.00 24.43 H new ATOM 0 HG21 ILE A 76 -9.958 1.490 -0.079 1.00 63.52 H new ATOM 0 HG22 ILE A 76 -9.589 3.086 0.616 1.00 63.52 H new ATOM 0 HG23 ILE A 76 -11.096 2.250 1.059 1.00 63.52 H new ATOM 0 HD11 ILE A 76 -12.499 0.252 -2.427 1.00 3.14 H new ATOM 0 HD12 ILE A 76 -10.948 1.028 -2.828 1.00 3.14 H new ATOM 0 HD13 ILE A 76 -11.193 0.307 -1.219 1.00 3.14 H new ATOM 1302 N ASP A 77 -10.720 5.458 1.497 1.00 11.34 N ATOM 1303 CA ASP A 77 -9.740 6.234 2.270 1.00 62.45 C ATOM 1304 C ASP A 77 -8.349 5.608 2.105 1.00 50.34 C ATOM 1305 O ASP A 77 -8.082 4.530 2.645 1.00 74.14 O ATOM 1306 CB ASP A 77 -10.130 6.286 3.763 1.00 11.52 C ATOM 1307 CG ASP A 77 -9.157 7.136 4.611 1.00 33.20 C ATOM 1308 OD1 ASP A 77 -9.373 8.364 4.727 1.00 61.44 O ATOM 1309 OD2 ASP A 77 -8.175 6.588 5.174 1.00 14.31 O ATOM 0 H ASP A 77 -11.397 4.958 2.073 1.00 11.34 H new ATOM 0 HA ASP A 77 -9.726 7.256 1.892 1.00 62.45 H new ATOM 0 HB2 ASP A 77 -11.136 6.694 3.856 1.00 11.52 H new ATOM 0 HB3 ASP A 77 -10.159 5.272 4.161 1.00 11.52 H new ATOM 1314 N VAL A 78 -7.498 6.265 1.304 1.00 63.44 N ATOM 1315 CA VAL A 78 -6.137 5.803 1.000 1.00 70.52 C ATOM 1316 C VAL A 78 -5.126 6.931 1.291 1.00 54.23 C ATOM 1317 O VAL A 78 -5.378 8.102 0.979 1.00 23.52 O ATOM 1318 CB VAL A 78 -6.006 5.346 -0.506 1.00 44.30 C ATOM 1319 CG1 VAL A 78 -4.555 4.941 -0.847 1.00 2.42 C ATOM 1320 CG2 VAL A 78 -6.989 4.193 -0.840 1.00 41.43 C ATOM 0 H VAL A 78 -7.739 7.143 0.844 1.00 63.44 H new ATOM 0 HA VAL A 78 -5.923 4.943 1.635 1.00 70.52 H new ATOM 0 HB VAL A 78 -6.273 6.203 -1.125 1.00 44.30 H new ATOM 0 HG11 VAL A 78 -4.499 4.632 -1.891 1.00 2.42 H new ATOM 0 HG12 VAL A 78 -3.892 5.791 -0.685 1.00 2.42 H new ATOM 0 HG13 VAL A 78 -4.248 4.114 -0.207 1.00 2.42 H new ATOM 0 HG21 VAL A 78 -6.870 3.905 -1.885 1.00 41.43 H new ATOM 0 HG22 VAL A 78 -6.776 3.336 -0.201 1.00 41.43 H new ATOM 0 HG23 VAL A 78 -8.013 4.527 -0.670 1.00 41.43 H new ATOM 1330 N ARG A 79 -3.992 6.551 1.904 1.00 54.15 N ATOM 1331 CA ARG A 79 -2.805 7.390 2.054 1.00 13.32 C ATOM 1332 C ARG A 79 -1.774 6.841 1.074 1.00 70.45 C ATOM 1333 O ARG A 79 -1.309 5.705 1.232 1.00 60.54 O ATOM 1334 CB ARG A 79 -2.233 7.352 3.500 1.00 1.43 C ATOM 1335 CG ARG A 79 -3.158 7.912 4.605 1.00 1.02 C ATOM 1336 CD ARG A 79 -4.317 6.971 5.026 1.00 63.13 C ATOM 1337 NE ARG A 79 -5.064 7.523 6.171 1.00 61.23 N ATOM 1338 CZ ARG A 79 -4.622 7.544 7.442 1.00 62.33 C ATOM 1339 NH1 ARG A 79 -3.446 7.031 7.775 1.00 4.12 N ATOM 1340 NH2 ARG A 79 -5.341 8.146 8.368 1.00 42.03 N ATOM 0 H ARG A 79 -3.879 5.626 2.318 1.00 54.15 H new ATOM 0 HA ARG A 79 -3.057 8.431 1.854 1.00 13.32 H new ATOM 0 HB2 ARG A 79 -1.988 6.319 3.747 1.00 1.43 H new ATOM 0 HB3 ARG A 79 -1.299 7.913 3.516 1.00 1.43 H new ATOM 0 HG2 ARG A 79 -2.554 8.137 5.484 1.00 1.02 H new ATOM 0 HG3 ARG A 79 -3.582 8.855 4.260 1.00 1.02 H new ATOM 0 HD2 ARG A 79 -4.994 6.824 4.184 1.00 63.13 H new ATOM 0 HD3 ARG A 79 -3.917 5.992 5.288 1.00 63.13 H new ATOM 0 HE ARG A 79 -5.986 7.919 5.986 1.00 61.23 H new ATOM 0 HH11 ARG A 79 -2.853 6.608 7.061 1.00 4.12 H new ATOM 0 HH12 ARG A 79 -3.134 7.059 8.746 1.00 4.12 H new ATOM 0 HH21 ARG A 79 -6.224 8.591 8.119 1.00 42.03 H new ATOM 0 HH22 ARG A 79 -5.014 8.167 9.334 1.00 42.03 H new ATOM 1354 N THR A 80 -1.445 7.624 0.050 1.00 1.44 N ATOM 1355 CA THR A 80 -0.567 7.180 -1.031 1.00 21.41 C ATOM 1356 C THR A 80 0.845 7.760 -0.792 1.00 41.13 C ATOM 1357 O THR A 80 1.051 8.975 -0.877 1.00 34.13 O ATOM 1358 CB THR A 80 -1.135 7.610 -2.420 1.00 24.24 C ATOM 1359 OG1 THR A 80 -2.550 7.339 -2.467 1.00 71.21 O ATOM 1360 CG2 THR A 80 -0.456 6.855 -3.572 1.00 72.35 C ATOM 0 H THR A 80 -1.778 8.582 -0.055 1.00 1.44 H new ATOM 0 HA THR A 80 -0.509 6.092 -1.036 1.00 21.41 H new ATOM 0 HB THR A 80 -0.939 8.676 -2.539 1.00 24.24 H new ATOM 0 HG1 THR A 80 -2.845 7.302 -3.401 1.00 71.21 H new ATOM 0 HG21 THR A 80 -0.879 7.183 -4.521 1.00 72.35 H new ATOM 0 HG22 THR A 80 0.614 7.061 -3.561 1.00 72.35 H new ATOM 0 HG23 THR A 80 -0.620 5.784 -3.452 1.00 72.35 H new ATOM 1368 N ARG A 81 1.786 6.873 -0.443 1.00 71.45 N ATOM 1369 CA ARG A 81 3.181 7.215 -0.103 1.00 33.01 C ATOM 1370 C ARG A 81 4.133 6.593 -1.129 1.00 14.24 C ATOM 1371 O ARG A 81 3.940 5.449 -1.538 1.00 14.12 O ATOM 1372 CB ARG A 81 3.518 6.682 1.326 1.00 41.01 C ATOM 1373 CG ARG A 81 2.929 7.512 2.490 1.00 3.03 C ATOM 1374 CD ARG A 81 3.510 8.932 2.516 1.00 31.42 C ATOM 1375 NE ARG A 81 3.066 9.723 3.673 1.00 54.23 N ATOM 1376 CZ ARG A 81 3.654 10.861 4.071 1.00 63.33 C ATOM 1377 NH1 ARG A 81 4.704 11.351 3.413 1.00 74.42 N ATOM 1378 NH2 ARG A 81 3.184 11.510 5.113 1.00 15.23 N ATOM 0 H ARG A 81 1.598 5.872 -0.387 1.00 71.45 H new ATOM 0 HA ARG A 81 3.300 8.298 -0.119 1.00 33.01 H new ATOM 0 HB2 ARG A 81 3.155 5.658 1.410 1.00 41.01 H new ATOM 0 HB3 ARG A 81 4.602 6.646 1.438 1.00 41.01 H new ATOM 0 HG2 ARG A 81 1.845 7.563 2.390 1.00 3.03 H new ATOM 0 HG3 ARG A 81 3.139 7.014 3.437 1.00 3.03 H new ATOM 0 HD2 ARG A 81 4.598 8.871 2.523 1.00 31.42 H new ATOM 0 HD3 ARG A 81 3.225 9.450 1.600 1.00 31.42 H new ATOM 0 HE ARG A 81 2.263 9.386 4.205 1.00 54.23 H new ATOM 0 HH11 ARG A 81 5.069 10.860 2.597 1.00 74.42 H new ATOM 0 HH12 ARG A 81 5.143 12.217 3.725 1.00 74.42 H new ATOM 0 HH21 ARG A 81 2.374 11.148 5.617 1.00 15.23 H new ATOM 0 HH22 ARG A 81 3.629 12.376 5.418 1.00 15.23 H new ATOM 1392 N LYS A 82 5.142 7.364 -1.559 1.00 22.02 N ATOM 1393 CA LYS A 82 6.236 6.849 -2.392 1.00 51.21 C ATOM 1394 C LYS A 82 7.443 6.557 -1.493 1.00 73.41 C ATOM 1395 O LYS A 82 7.932 7.451 -0.790 1.00 22.31 O ATOM 1396 CB LYS A 82 6.641 7.851 -3.501 1.00 61.23 C ATOM 1397 CG LYS A 82 7.690 7.285 -4.500 1.00 55.54 C ATOM 1398 CD LYS A 82 8.291 8.367 -5.417 1.00 13.44 C ATOM 1399 CE LYS A 82 9.161 9.373 -4.632 1.00 63.22 C ATOM 1400 NZ LYS A 82 9.699 10.452 -5.490 1.00 0.25 N ATOM 0 H LYS A 82 5.222 8.357 -1.340 1.00 22.02 H new ATOM 0 HA LYS A 82 5.894 5.939 -2.885 1.00 51.21 H new ATOM 0 HB2 LYS A 82 5.750 8.148 -4.053 1.00 61.23 H new ATOM 0 HB3 LYS A 82 7.043 8.751 -3.036 1.00 61.23 H new ATOM 0 HG2 LYS A 82 8.492 6.803 -3.942 1.00 55.54 H new ATOM 0 HG3 LYS A 82 7.221 6.516 -5.114 1.00 55.54 H new ATOM 0 HD2 LYS A 82 8.895 7.892 -6.191 1.00 13.44 H new ATOM 0 HD3 LYS A 82 7.487 8.901 -5.923 1.00 13.44 H new ATOM 0 HE2 LYS A 82 8.567 9.813 -3.831 1.00 63.22 H new ATOM 0 HE3 LYS A 82 9.988 8.842 -4.161 1.00 63.22 H new ATOM 0 HZ1 LYS A 82 10.675 10.669 -5.204 1.00 0.25 H new ATOM 0 HZ2 LYS A 82 9.690 10.143 -6.483 1.00 0.25 H new ATOM 0 HZ3 LYS A 82 9.111 11.303 -5.387 1.00 0.25 H new ATOM 1414 N VAL A 83 7.878 5.300 -1.490 1.00 64.03 N ATOM 1415 CA VAL A 83 9.096 4.855 -0.811 1.00 64.33 C ATOM 1416 C VAL A 83 10.252 4.781 -1.825 1.00 3.44 C ATOM 1417 O VAL A 83 10.062 4.363 -2.976 1.00 2.13 O ATOM 1418 CB VAL A 83 8.853 3.470 -0.102 1.00 51.02 C ATOM 1419 CG1 VAL A 83 7.646 3.576 0.855 1.00 4.32 C ATOM 1420 CG2 VAL A 83 8.655 2.303 -1.108 1.00 74.31 C ATOM 0 H VAL A 83 7.385 4.546 -1.968 1.00 64.03 H new ATOM 0 HA VAL A 83 9.367 5.573 -0.037 1.00 64.33 H new ATOM 0 HB VAL A 83 9.752 3.235 0.467 1.00 51.02 H new ATOM 0 HG11 VAL A 83 7.483 2.615 1.343 1.00 4.32 H new ATOM 0 HG12 VAL A 83 7.846 4.337 1.610 1.00 4.32 H new ATOM 0 HG13 VAL A 83 6.756 3.852 0.289 1.00 4.32 H new ATOM 0 HG21 VAL A 83 8.492 1.375 -0.561 1.00 74.31 H new ATOM 0 HG22 VAL A 83 7.790 2.509 -1.739 1.00 74.31 H new ATOM 0 HG23 VAL A 83 9.544 2.205 -1.731 1.00 74.31 H new ATOM 1430 N THR A 84 11.425 5.254 -1.406 1.00 65.33 N ATOM 1431 CA THR A 84 12.657 5.212 -2.208 1.00 24.11 C ATOM 1432 C THR A 84 13.587 4.130 -1.640 1.00 42.21 C ATOM 1433 O THR A 84 14.066 3.248 -2.365 1.00 71.52 O ATOM 1434 CB THR A 84 13.357 6.611 -2.202 1.00 71.52 C ATOM 1435 OG1 THR A 84 13.564 7.039 -0.845 1.00 60.02 O ATOM 1436 CG2 THR A 84 12.523 7.670 -2.952 1.00 2.23 C ATOM 0 H THR A 84 11.553 5.683 -0.490 1.00 65.33 H new ATOM 0 HA THR A 84 12.415 4.966 -3.242 1.00 24.11 H new ATOM 0 HB THR A 84 14.313 6.509 -2.716 1.00 71.52 H new ATOM 0 HG1 THR A 84 14.004 7.915 -0.842 1.00 60.02 H new ATOM 0 HG21 THR A 84 13.043 8.628 -2.926 1.00 2.23 H new ATOM 0 HG22 THR A 84 12.387 7.359 -3.988 1.00 2.23 H new ATOM 0 HG23 THR A 84 11.549 7.772 -2.473 1.00 2.23 H new ATOM 1444 N SER A 85 13.810 4.209 -0.322 1.00 63.13 N ATOM 1445 CA SER A 85 14.566 3.213 0.437 1.00 2.12 C ATOM 1446 C SER A 85 13.597 2.135 0.971 1.00 62.15 C ATOM 1447 O SER A 85 12.416 2.434 1.196 1.00 32.14 O ATOM 1448 CB SER A 85 15.298 3.924 1.602 1.00 54.43 C ATOM 1449 OG SER A 85 16.132 4.966 1.115 1.00 45.43 O ATOM 0 H SER A 85 13.464 4.978 0.252 1.00 63.13 H new ATOM 0 HA SER A 85 15.305 2.727 -0.200 1.00 2.12 H new ATOM 0 HB2 SER A 85 14.568 4.333 2.300 1.00 54.43 H new ATOM 0 HB3 SER A 85 15.898 3.201 2.155 1.00 54.43 H new ATOM 0 HG SER A 85 16.583 5.403 1.867 1.00 45.43 H new ATOM 1455 N PRO A 86 14.061 0.855 1.168 1.00 11.51 N ATOM 1456 CA PRO A 86 13.282 -0.168 1.914 1.00 13.03 C ATOM 1457 C PRO A 86 13.011 0.282 3.355 1.00 74.22 C ATOM 1458 O PRO A 86 12.005 -0.095 3.944 1.00 2.45 O ATOM 1459 CB PRO A 86 14.172 -1.437 1.857 1.00 13.33 C ATOM 1460 CG PRO A 86 15.075 -1.203 0.677 1.00 51.22 C ATOM 1461 CD PRO A 86 15.338 0.291 0.657 1.00 41.41 C ATOM 0 HA PRO A 86 12.296 -0.343 1.485 1.00 13.03 H new ATOM 0 HB2 PRO A 86 14.743 -1.564 2.776 1.00 13.33 H new ATOM 0 HB3 PRO A 86 13.573 -2.338 1.727 1.00 13.33 H new ATOM 0 HG2 PRO A 86 16.004 -1.764 0.777 1.00 51.22 H new ATOM 0 HG3 PRO A 86 14.603 -1.531 -0.249 1.00 51.22 H new ATOM 0 HD2 PRO A 86 16.182 0.562 1.291 1.00 41.41 H new ATOM 0 HD3 PRO A 86 15.565 0.649 -0.347 1.00 41.41 H new ATOM 1469 N ASP A 87 13.929 1.125 3.873 1.00 64.13 N ATOM 1470 CA ASP A 87 13.796 1.811 5.173 1.00 74.31 C ATOM 1471 C ASP A 87 12.470 2.571 5.253 1.00 30.03 C ATOM 1472 O ASP A 87 11.773 2.491 6.261 1.00 13.14 O ATOM 1473 CB ASP A 87 14.971 2.802 5.378 1.00 25.32 C ATOM 1474 CG ASP A 87 16.327 2.095 5.437 1.00 3.44 C ATOM 1475 OD1 ASP A 87 16.874 1.751 4.366 1.00 2.25 O ATOM 1476 OD2 ASP A 87 16.843 1.853 6.554 1.00 55.52 O ATOM 0 H ASP A 87 14.798 1.351 3.390 1.00 64.13 H new ATOM 0 HA ASP A 87 13.817 1.055 5.958 1.00 74.31 H new ATOM 0 HB2 ASP A 87 14.977 3.527 4.564 1.00 25.32 H new ATOM 0 HB3 ASP A 87 14.815 3.360 6.301 1.00 25.32 H new ATOM 1481 N GLU A 88 12.141 3.295 4.161 1.00 51.43 N ATOM 1482 CA GLU A 88 10.887 4.058 4.036 1.00 34.21 C ATOM 1483 C GLU A 88 9.670 3.121 3.970 1.00 54.24 C ATOM 1484 O GLU A 88 8.628 3.413 4.557 1.00 40.42 O ATOM 1485 CB GLU A 88 10.939 4.968 2.778 1.00 15.23 C ATOM 1486 CG GLU A 88 12.019 6.064 2.838 1.00 10.43 C ATOM 1487 CD GLU A 88 11.795 7.068 3.991 1.00 42.21 C ATOM 1488 OE1 GLU A 88 10.829 7.870 3.916 1.00 20.01 O ATOM 1489 OE2 GLU A 88 12.568 7.066 4.974 1.00 31.14 O ATOM 0 H GLU A 88 12.742 3.365 3.340 1.00 51.43 H new ATOM 0 HA GLU A 88 10.780 4.683 4.922 1.00 34.21 H new ATOM 0 HB2 GLU A 88 11.116 4.346 1.900 1.00 15.23 H new ATOM 0 HB3 GLU A 88 9.965 5.439 2.643 1.00 15.23 H new ATOM 0 HG2 GLU A 88 12.997 5.597 2.955 1.00 10.43 H new ATOM 0 HG3 GLU A 88 12.034 6.604 1.891 1.00 10.43 H new ATOM 1496 N ALA A 89 9.823 1.988 3.254 1.00 30.05 N ATOM 1497 CA ALA A 89 8.744 0.991 3.072 1.00 62.14 C ATOM 1498 C ALA A 89 8.297 0.404 4.417 1.00 4.12 C ATOM 1499 O ALA A 89 7.102 0.290 4.688 1.00 73.11 O ATOM 1500 CB ALA A 89 9.211 -0.111 2.114 1.00 34.32 C ATOM 0 H ALA A 89 10.694 1.738 2.787 1.00 30.05 H new ATOM 0 HA ALA A 89 7.879 1.490 2.635 1.00 62.14 H new ATOM 0 HB1 ALA A 89 8.413 -0.842 1.984 1.00 34.32 H new ATOM 0 HB2 ALA A 89 9.462 0.328 1.149 1.00 34.32 H new ATOM 0 HB3 ALA A 89 10.091 -0.604 2.528 1.00 34.32 H new ATOM 1506 N LYS A 90 9.287 0.061 5.254 1.00 45.32 N ATOM 1507 CA LYS A 90 9.076 -0.476 6.606 1.00 14.25 C ATOM 1508 C LYS A 90 8.537 0.623 7.546 1.00 41.53 C ATOM 1509 O LYS A 90 7.656 0.371 8.376 1.00 1.41 O ATOM 1510 CB LYS A 90 10.422 -1.016 7.152 1.00 72.45 C ATOM 1511 CG LYS A 90 11.152 -2.019 6.224 1.00 25.43 C ATOM 1512 CD LYS A 90 12.639 -2.219 6.610 1.00 2.21 C ATOM 1513 CE LYS A 90 12.829 -2.967 7.942 1.00 72.14 C ATOM 1514 NZ LYS A 90 12.485 -4.410 7.810 1.00 24.30 N ATOM 0 H LYS A 90 10.272 0.150 5.006 1.00 45.32 H new ATOM 0 HA LYS A 90 8.343 -1.282 6.560 1.00 14.25 H new ATOM 0 HB2 LYS A 90 11.085 -0.171 7.341 1.00 72.45 H new ATOM 0 HB3 LYS A 90 10.239 -1.499 8.112 1.00 72.45 H new ATOM 0 HG2 LYS A 90 10.639 -2.980 6.260 1.00 25.43 H new ATOM 0 HG3 LYS A 90 11.093 -1.665 5.195 1.00 25.43 H new ATOM 0 HD2 LYS A 90 13.142 -2.772 5.816 1.00 2.21 H new ATOM 0 HD3 LYS A 90 13.124 -1.245 6.676 1.00 2.21 H new ATOM 0 HE2 LYS A 90 13.863 -2.867 8.273 1.00 72.14 H new ATOM 0 HE3 LYS A 90 12.203 -2.511 8.709 1.00 72.14 H new ATOM 0 HZ1 LYS A 90 12.376 -4.829 8.756 1.00 24.30 H new ATOM 0 HZ2 LYS A 90 11.594 -4.508 7.283 1.00 24.30 H new ATOM 0 HZ3 LYS A 90 13.245 -4.903 7.299 1.00 24.30 H new ATOM 1528 N ARG A 91 9.113 1.835 7.383 1.00 13.41 N ATOM 1529 CA ARG A 91 8.824 3.023 8.209 1.00 34.43 C ATOM 1530 C ARG A 91 7.342 3.404 8.172 1.00 12.14 C ATOM 1531 O ARG A 91 6.707 3.471 9.220 1.00 51.23 O ATOM 1532 CB ARG A 91 9.680 4.216 7.692 1.00 32.34 C ATOM 1533 CG ARG A 91 9.323 5.608 8.257 1.00 74.00 C ATOM 1534 CD ARG A 91 9.979 6.740 7.453 1.00 21.24 C ATOM 1535 NE ARG A 91 9.568 8.077 7.915 1.00 12.13 N ATOM 1536 CZ ARG A 91 10.112 9.226 7.486 1.00 51.13 C ATOM 1537 NH1 ARG A 91 11.091 9.221 6.588 1.00 32.02 N ATOM 1538 NH2 ARG A 91 9.673 10.381 7.956 1.00 42.22 N ATOM 0 H ARG A 91 9.806 2.016 6.657 1.00 13.41 H new ATOM 0 HA ARG A 91 9.075 2.786 9.243 1.00 34.43 H new ATOM 0 HB2 ARG A 91 10.726 4.012 7.921 1.00 32.34 H new ATOM 0 HB3 ARG A 91 9.593 4.255 6.606 1.00 32.34 H new ATOM 0 HG2 ARG A 91 8.241 5.737 8.248 1.00 74.00 H new ATOM 0 HG3 ARG A 91 9.642 5.670 9.297 1.00 74.00 H new ATOM 0 HD2 ARG A 91 11.063 6.652 7.527 1.00 21.24 H new ATOM 0 HD3 ARG A 91 9.721 6.629 6.400 1.00 21.24 H new ATOM 0 HE ARG A 91 8.820 8.133 8.607 1.00 12.13 H new ATOM 0 HH11 ARG A 91 11.438 8.337 6.216 1.00 32.02 H new ATOM 0 HH12 ARG A 91 11.496 10.102 6.270 1.00 32.02 H new ATOM 0 HH21 ARG A 91 8.921 10.399 8.645 1.00 42.22 H new ATOM 0 HH22 ARG A 91 10.086 11.255 7.630 1.00 42.22 H new ATOM 1552 N TRP A 92 6.793 3.637 6.960 1.00 72.14 N ATOM 1553 CA TRP A 92 5.410 4.123 6.800 1.00 22.41 C ATOM 1554 C TRP A 92 4.365 3.124 7.325 1.00 74.21 C ATOM 1555 O TRP A 92 3.295 3.540 7.763 1.00 52.31 O ATOM 1556 CB TRP A 92 5.123 4.509 5.322 1.00 42.41 C ATOM 1557 CG TRP A 92 5.947 5.688 4.821 1.00 24.31 C ATOM 1558 CD1 TRP A 92 6.806 5.711 3.757 1.00 20.33 C ATOM 1559 CD2 TRP A 92 5.985 7.014 5.381 1.00 53.44 C ATOM 1560 NE1 TRP A 92 7.379 6.951 3.631 1.00 75.33 N ATOM 1561 CE2 TRP A 92 6.890 7.767 4.608 1.00 11.24 C ATOM 1562 CE3 TRP A 92 5.344 7.632 6.461 1.00 13.44 C ATOM 1563 CZ2 TRP A 92 7.171 9.101 4.879 1.00 61.21 C ATOM 1564 CZ3 TRP A 92 5.620 8.955 6.728 1.00 30.43 C ATOM 1565 CH2 TRP A 92 6.524 9.679 5.937 1.00 54.05 C ATOM 0 H TRP A 92 7.289 3.496 6.080 1.00 72.14 H new ATOM 0 HA TRP A 92 5.320 5.019 7.414 1.00 22.41 H new ATOM 0 HB2 TRP A 92 5.319 3.645 4.687 1.00 42.41 H new ATOM 0 HB3 TRP A 92 4.065 4.748 5.218 1.00 42.41 H new ATOM 0 HD1 TRP A 92 7.005 4.871 3.108 1.00 20.33 H new ATOM 0 HE1 TRP A 92 8.061 7.219 2.921 1.00 75.33 H new ATOM 0 HE3 TRP A 92 4.646 7.082 7.074 1.00 13.44 H new ATOM 0 HZ2 TRP A 92 7.873 9.660 4.278 1.00 61.21 H new ATOM 0 HZ3 TRP A 92 5.133 9.442 7.559 1.00 30.43 H new ATOM 0 HH2 TRP A 92 6.714 10.717 6.168 1.00 54.05 H new ATOM 1576 N ILE A 93 4.698 1.817 7.298 1.00 71.20 N ATOM 1577 CA ILE A 93 3.823 0.746 7.819 1.00 33.21 C ATOM 1578 C ILE A 93 3.823 0.780 9.360 1.00 43.23 C ATOM 1579 O ILE A 93 2.759 0.728 10.006 1.00 3.44 O ATOM 1580 CB ILE A 93 4.307 -0.660 7.315 1.00 24.23 C ATOM 1581 CG1 ILE A 93 4.207 -0.748 5.763 1.00 4.25 C ATOM 1582 CG2 ILE A 93 3.536 -1.819 8.001 1.00 34.33 C ATOM 1583 CD1 ILE A 93 4.809 -2.006 5.174 1.00 3.13 C ATOM 0 H ILE A 93 5.579 1.475 6.915 1.00 71.20 H new ATOM 0 HA ILE A 93 2.810 0.913 7.452 1.00 33.21 H new ATOM 0 HB ILE A 93 5.354 -0.771 7.596 1.00 24.23 H new ATOM 0 HG12 ILE A 93 3.158 -0.691 5.474 1.00 4.25 H new ATOM 0 HG13 ILE A 93 4.705 0.118 5.328 1.00 4.25 H new ATOM 0 HG21 ILE A 93 3.902 -2.774 7.623 1.00 34.33 H new ATOM 0 HG22 ILE A 93 3.691 -1.772 9.079 1.00 34.33 H new ATOM 0 HG23 ILE A 93 2.472 -1.727 7.783 1.00 34.33 H new ATOM 0 HD11 ILE A 93 4.698 -1.989 4.090 1.00 3.13 H new ATOM 0 HD12 ILE A 93 5.867 -2.057 5.430 1.00 3.13 H new ATOM 0 HD13 ILE A 93 4.295 -2.879 5.578 1.00 3.13 H new ATOM 1595 N LYS A 94 5.049 0.840 9.926 1.00 13.33 N ATOM 1596 CA LYS A 94 5.296 1.016 11.366 1.00 72.51 C ATOM 1597 C LYS A 94 4.481 2.197 11.925 1.00 14.50 C ATOM 1598 O LYS A 94 3.712 2.039 12.873 1.00 71.32 O ATOM 1599 CB LYS A 94 6.820 1.259 11.577 1.00 71.11 C ATOM 1600 CG LYS A 94 7.257 1.582 13.023 1.00 31.30 C ATOM 1601 CD LYS A 94 8.764 1.928 13.101 1.00 24.01 C ATOM 1602 CE LYS A 94 9.217 2.328 14.513 1.00 40.14 C ATOM 1603 NZ LYS A 94 8.447 3.485 15.045 1.00 23.51 N ATOM 0 H LYS A 94 5.908 0.766 9.380 1.00 13.33 H new ATOM 0 HA LYS A 94 4.982 0.120 11.901 1.00 72.51 H new ATOM 0 HB2 LYS A 94 7.359 0.372 11.244 1.00 71.11 H new ATOM 0 HB3 LYS A 94 7.130 2.081 10.932 1.00 71.11 H new ATOM 0 HG2 LYS A 94 6.671 2.419 13.402 1.00 31.30 H new ATOM 0 HG3 LYS A 94 7.046 0.728 13.667 1.00 31.30 H new ATOM 0 HD2 LYS A 94 9.346 1.068 12.769 1.00 24.01 H new ATOM 0 HD3 LYS A 94 8.980 2.744 12.412 1.00 24.01 H new ATOM 0 HE2 LYS A 94 9.101 1.477 15.184 1.00 40.14 H new ATOM 0 HE3 LYS A 94 10.278 2.577 14.495 1.00 40.14 H new ATOM 0 HZ1 LYS A 94 8.894 3.827 15.920 1.00 23.51 H new ATOM 0 HZ2 LYS A 94 8.437 4.249 14.340 1.00 23.51 H new ATOM 0 HZ3 LYS A 94 7.471 3.189 15.248 1.00 23.51 H new ATOM 1617 N GLU A 95 4.626 3.361 11.276 1.00 74.34 N ATOM 1618 CA GLU A 95 4.000 4.618 11.710 1.00 50.32 C ATOM 1619 C GLU A 95 2.470 4.596 11.490 1.00 14.42 C ATOM 1620 O GLU A 95 1.739 5.162 12.298 1.00 72.14 O ATOM 1621 CB GLU A 95 4.684 5.827 11.009 1.00 4.23 C ATOM 1622 CG GLU A 95 6.217 5.874 11.249 1.00 12.34 C ATOM 1623 CD GLU A 95 6.896 7.180 10.805 1.00 31.22 C ATOM 1624 OE1 GLU A 95 6.869 7.500 9.603 1.00 65.40 O ATOM 1625 OE2 GLU A 95 7.484 7.884 11.663 1.00 11.12 O ATOM 0 H GLU A 95 5.185 3.457 10.429 1.00 74.34 H new ATOM 0 HA GLU A 95 4.150 4.730 12.784 1.00 50.32 H new ATOM 0 HB2 GLU A 95 4.490 5.777 9.938 1.00 4.23 H new ATOM 0 HB3 GLU A 95 4.236 6.752 11.371 1.00 4.23 H new ATOM 0 HG2 GLU A 95 6.410 5.723 12.311 1.00 12.34 H new ATOM 0 HG3 GLU A 95 6.680 5.041 10.719 1.00 12.34 H new ATOM 1632 N PHE A 96 2.001 3.882 10.433 1.00 10.23 N ATOM 1633 CA PHE A 96 0.549 3.728 10.115 1.00 63.30 C ATOM 1634 C PHE A 96 -0.189 2.958 11.236 1.00 50.43 C ATOM 1635 O PHE A 96 -1.359 3.236 11.533 1.00 44.51 O ATOM 1636 CB PHE A 96 0.387 3.004 8.742 1.00 75.40 C ATOM 1637 CG PHE A 96 -1.044 2.878 8.200 1.00 1.20 C ATOM 1638 CD1 PHE A 96 -1.742 4.003 7.748 1.00 41.22 C ATOM 1639 CD2 PHE A 96 -1.677 1.635 8.099 1.00 22.10 C ATOM 1640 CE1 PHE A 96 -3.024 3.888 7.234 1.00 43.41 C ATOM 1641 CE2 PHE A 96 -2.958 1.526 7.587 1.00 22.52 C ATOM 1642 CZ PHE A 96 -3.627 2.649 7.149 1.00 64.20 C ATOM 0 H PHE A 96 2.613 3.397 9.777 1.00 10.23 H new ATOM 0 HA PHE A 96 0.098 4.718 10.049 1.00 63.30 H new ATOM 0 HB2 PHE A 96 0.986 3.536 8.003 1.00 75.40 H new ATOM 0 HB3 PHE A 96 0.807 2.002 8.833 1.00 75.40 H new ATOM 0 HD1 PHE A 96 -1.275 4.975 7.800 1.00 41.22 H new ATOM 0 HD2 PHE A 96 -1.158 0.746 8.426 1.00 22.10 H new ATOM 0 HE1 PHE A 96 -3.552 4.769 6.900 1.00 43.41 H new ATOM 0 HE2 PHE A 96 -3.435 0.559 7.530 1.00 22.52 H new ATOM 0 HZ PHE A 96 -4.622 2.560 6.740 1.00 64.20 H new ATOM 1652 N SER A 97 0.515 1.992 11.857 1.00 51.14 N ATOM 1653 CA SER A 97 -0.023 1.210 12.983 1.00 42.03 C ATOM 1654 C SER A 97 0.145 1.972 14.312 1.00 24.44 C ATOM 1655 O SER A 97 -0.651 1.779 15.235 1.00 44.43 O ATOM 1656 CB SER A 97 0.638 -0.182 13.045 1.00 42.15 C ATOM 1657 OG SER A 97 2.054 -0.097 13.067 1.00 12.35 O ATOM 0 H SER A 97 1.466 1.734 11.593 1.00 51.14 H new ATOM 0 HA SER A 97 -1.091 1.065 12.820 1.00 42.03 H new ATOM 0 HB2 SER A 97 0.292 -0.708 13.935 1.00 42.15 H new ATOM 0 HB3 SER A 97 0.323 -0.771 12.184 1.00 42.15 H new ATOM 0 HG SER A 97 2.325 0.844 13.116 1.00 12.35 H new