USER MOD reduce.3.24.130724 H: found=0, std=0, add=853, rem=0, adj=43 USER MOD reduce.3.24.130724 removed 849 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 29 GLN : amide:sc= 0.776 K(o=4.3,f=2.1) USER MOD Set 1.2: A 35 GLN : amide:sc= 0.606 K(o=4.3,f=3.3) USER MOD Set 1.3: A 107 ASN : amide:sc= 2.96 K(o=4.3,f=3.3) USER MOD Set 2.1: A 93 ASN : amide:sc= -1.37 X(o=-4.3,f=-4.3) USER MOD Set 2.2: A 97 SER OG : rot 163:sc= -2.94! USER MOD Set 3.1: A 42 ASN : amide:sc= 0.384 K(o=1.2,f=-4.8!) USER MOD Set 3.2: A 91 GLN : amide:sc= 0.818 K(o=1.2,f=-5.7) USER MOD Set 4.1: A 54 THR OG1 : rot -34:sc= 1.51 USER MOD Set 4.2: A 76 LYS NZ :NH3+ -165:sc= 0.278! (180deg=-1.33!) USER MOD Set 5.1: A 69 SER OG : rot 140:sc= 0.959 USER MOD Set 5.2: A 87 LYS NZ :NH3+ -175:sc= 1.99 (180deg=0.759) USER MOD Set 6.1: A 50 LYS NZ :NH3+ -169:sc= -4.44! (180deg=-5.34!) USER MOD Set 6.2: A 52 ASN : amide:sc= 1.09 K(o=-3.4,f=-10!) USER MOD Set 7.1: A 40 LYS NZ :NH3+ 146:sc= 0.372! (180deg=-1.23!) USER MOD Set 7.2: A 64 SER OG : rot 160:sc= 0.974 USER MOD Set 8.1: A 27 THR OG1 : rot 88:sc= 1.2 USER MOD Set 8.2: A 74 MET CE :methyl 163:sc= -1.38 (180deg=-2.22) USER MOD Set 9.1: A 19 ASN : amide:sc= 0.148 K(o=0.96,f=-7.2!) USER MOD Set 9.2: A 21 ASN : amide:sc= 0 K(o=0.96,f=0.003) USER MOD Set 9.3: A 80 ASN : amide:sc= 0.815 K(o=0.96,f=-7.2) USER MOD Set10.1: A 5 THR OG1 : rot -52:sc= 1.1 USER MOD Set10.2: A 14 THR OG1 : rot 180:sc= 0.949 USER MOD Set11.1: A 1 MET N :NH3+ -157:sc= 3.68 (180deg=0.13) USER MOD Set11.2: A 6 GLN : amide:sc= -0.249 K(o=3.4,f=-11!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ -162:sc= 1.23 (180deg=0.137) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 178:sc= 1.2 (180deg=1.03) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0.926 USER MOD Single : A 17 ASN : amide:sc= 0 K(o=0,f=-0.67) USER MOD Single : A 18 TYR OH : rot -129:sc= 0.553 USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.128 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= 1.2 K(o=1.2,f=-0.0076) USER MOD Single : A 32 GLN :FLIP amide:sc= -0.341 F(o=-1.2,f=-0.34) USER MOD Single : A 33 ASN : amide:sc= -0.133 X(o=-0.13,f=0) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 TYR OH : rot 165:sc= 0 USER MOD Single : A 41 SER OG : rot -41:sc= 0.73 USER MOD Single : A 44 TYR OH : rot 60:sc= 0.966 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 ASN : amide:sc= -0.0262 X(o=-0.026,f=0.25) USER MOD Single : A 60 SER OG : rot 77:sc= 1.2 USER MOD Single : A 62 SER OG : rot -48:sc= 0.576 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot -22:sc= 0.158 USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 LYS NZ :NH3+ -128:sc= -0.447! (180deg=-0.953!) USER MOD Single : A 79 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 THR OG1 : rot 76:sc= 0.834 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot -148:sc= 0.771 USER MOD Single : A 94 SER OG : rot 179:sc= 0.265 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 112 ASN :FLIP amide:sc= 0 F(o=-0.78,f=0) USER MOD Single : A 113 THR OG1 : rot 40:sc= 0.181 USER MOD Single : A 114 HIS : no HE2:sc= 0.36 K(o=0.36,f=-1.9!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -6.729 -16.271 4.760 1.00 1.42 N ATOM 2 CA MET A 1 -8.121 -16.701 4.602 1.00 42.12 C ATOM 3 C MET A 1 -8.559 -17.290 5.906 1.00 13.10 C ATOM 4 O MET A 1 -8.455 -18.482 6.167 1.00 5.32 O ATOM 5 CB MET A 1 -8.322 -17.672 3.396 1.00 52.24 C ATOM 6 CG MET A 1 -7.473 -18.956 3.398 1.00 41.45 C ATOM 7 SD MET A 1 -5.692 -18.637 3.306 1.00 31.35 S ATOM 8 CE MET A 1 -5.057 -20.317 3.307 1.00 63.33 C ATOM 0 H1 MET A 1 -6.511 -15.535 4.058 1.00 1.42 H new ATOM 0 H2 MET A 1 -6.590 -15.889 5.717 1.00 1.42 H new ATOM 0 H3 MET A 1 -6.096 -17.084 4.617 1.00 1.42 H new ATOM 0 HA MET A 1 -8.748 -15.844 4.357 1.00 42.12 H new ATOM 0 HB2 MET A 1 -9.373 -17.958 3.360 1.00 52.24 H new ATOM 0 HB3 MET A 1 -8.109 -17.124 2.478 1.00 52.24 H new ATOM 0 HG2 MET A 1 -7.687 -19.524 4.304 1.00 41.45 H new ATOM 0 HG3 MET A 1 -7.768 -19.579 2.554 1.00 41.45 H new ATOM 0 HE1 MET A 1 -3.969 -20.295 3.254 1.00 63.33 H new ATOM 0 HE2 MET A 1 -5.365 -20.822 4.222 1.00 63.33 H new ATOM 0 HE3 MET A 1 -5.451 -20.855 2.445 1.00 63.33 H new ATOM 17 N ASP A 2 -9.001 -16.384 6.721 1.00 1.22 N ATOM 18 CA ASP A 2 -9.248 -16.556 8.143 1.00 55.32 C ATOM 19 C ASP A 2 -9.620 -15.165 8.602 1.00 41.33 C ATOM 20 O ASP A 2 -10.492 -14.941 9.415 1.00 12.54 O ATOM 21 CB ASP A 2 -7.931 -17.037 8.854 1.00 13.42 C ATOM 22 CG ASP A 2 -6.724 -16.083 8.682 1.00 2.15 C ATOM 23 OD1 ASP A 2 -6.381 -15.678 7.496 1.00 22.14 O ATOM 24 OD2 ASP A 2 -6.097 -15.712 9.689 1.00 54.30 O ATOM 0 H ASP A 2 -9.217 -15.439 6.403 1.00 1.22 H new ATOM 0 HA ASP A 2 -10.017 -17.296 8.367 1.00 55.32 H new ATOM 0 HB2 ASP A 2 -8.132 -17.160 9.918 1.00 13.42 H new ATOM 0 HB3 ASP A 2 -7.661 -18.019 8.465 1.00 13.42 H new ATOM 29 N LYS A 3 -8.933 -14.248 7.979 1.00 12.33 N ATOM 30 CA LYS A 3 -9.124 -12.847 8.052 1.00 11.55 C ATOM 31 C LYS A 3 -8.769 -12.363 6.657 1.00 74.20 C ATOM 32 O LYS A 3 -8.447 -13.205 5.790 1.00 32.35 O ATOM 33 CB LYS A 3 -8.184 -12.252 9.120 1.00 45.52 C ATOM 34 CG LYS A 3 -6.715 -12.518 8.845 1.00 43.21 C ATOM 35 CD LYS A 3 -5.848 -12.277 10.063 1.00 42.45 C ATOM 36 CE LYS A 3 -4.397 -12.646 9.776 1.00 43.41 C ATOM 37 NZ LYS A 3 -4.285 -13.992 9.151 1.00 2.42 N ATOM 0 H LYS A 3 -8.163 -14.495 7.358 1.00 12.33 H new ATOM 0 HA LYS A 3 -10.134 -12.553 8.339 1.00 11.55 H new ATOM 0 HB2 LYS A 3 -8.346 -11.176 9.177 1.00 45.52 H new ATOM 0 HB3 LYS A 3 -8.445 -12.666 10.094 1.00 45.52 H new ATOM 0 HG2 LYS A 3 -6.591 -13.548 8.512 1.00 43.21 H new ATOM 0 HG3 LYS A 3 -6.379 -11.877 8.030 1.00 43.21 H new ATOM 0 HD2 LYS A 3 -5.910 -11.229 10.358 1.00 42.45 H new ATOM 0 HD3 LYS A 3 -6.219 -12.867 10.901 1.00 42.45 H new ATOM 0 HE2 LYS A 3 -3.956 -11.900 9.115 1.00 43.41 H new ATOM 0 HE3 LYS A 3 -3.826 -12.627 10.704 1.00 43.41 H new ATOM 0 HZ1 LYS A 3 -3.309 -14.339 9.247 1.00 2.42 H new ATOM 0 HZ2 LYS A 3 -4.935 -14.650 9.626 1.00 2.42 H new ATOM 0 HZ3 LYS A 3 -4.532 -13.928 8.143 1.00 2.42 H new ATOM 51 N GLY A 4 -8.803 -11.078 6.416 1.00 62.24 N ATOM 52 CA GLY A 4 -8.492 -10.587 5.083 1.00 3.03 C ATOM 53 C GLY A 4 -6.997 -10.534 4.817 1.00 24.51 C ATOM 54 O GLY A 4 -6.560 -10.544 3.657 1.00 41.44 O ATOM 0 H GLY A 4 -9.036 -10.360 7.102 1.00 62.24 H new ATOM 0 HA2 GLY A 4 -8.967 -11.230 4.342 1.00 3.03 H new ATOM 0 HA3 GLY A 4 -8.916 -9.590 4.958 1.00 3.03 H new ATOM 58 N THR A 5 -6.235 -10.513 5.881 1.00 2.35 N ATOM 59 CA THR A 5 -4.801 -10.361 5.840 1.00 54.52 C ATOM 60 C THR A 5 -4.054 -11.723 5.791 1.00 50.04 C ATOM 61 O THR A 5 -4.374 -12.665 6.536 1.00 54.45 O ATOM 62 CB THR A 5 -4.376 -9.601 7.101 1.00 52.42 C ATOM 63 OG1 THR A 5 -5.271 -8.496 7.287 1.00 24.34 O ATOM 64 CG2 THR A 5 -2.949 -9.086 6.982 1.00 62.44 C ATOM 0 H THR A 5 -6.605 -10.604 6.827 1.00 2.35 H new ATOM 0 HA THR A 5 -4.539 -9.822 4.930 1.00 54.52 H new ATOM 0 HB THR A 5 -4.416 -10.279 7.954 1.00 52.42 H new ATOM 0 HG1 THR A 5 -5.326 -7.976 6.458 1.00 24.34 H new ATOM 0 HG21 THR A 5 -2.678 -8.552 7.892 1.00 62.44 H new ATOM 0 HG22 THR A 5 -2.270 -9.926 6.839 1.00 62.44 H new ATOM 0 HG23 THR A 5 -2.876 -8.411 6.130 1.00 62.44 H new ATOM 72 N GLN A 6 -3.072 -11.802 4.916 1.00 45.45 N ATOM 73 CA GLN A 6 -2.194 -12.947 4.772 1.00 13.15 C ATOM 74 C GLN A 6 -0.774 -12.443 4.876 1.00 24.44 C ATOM 75 O GLN A 6 -0.453 -11.376 4.340 1.00 74.12 O ATOM 76 CB GLN A 6 -2.341 -13.665 3.395 1.00 35.13 C ATOM 77 CG GLN A 6 -3.650 -14.434 3.125 1.00 1.12 C ATOM 78 CD GLN A 6 -4.889 -13.567 3.036 1.00 14.30 C ATOM 79 OE1 GLN A 6 -5.988 -14.012 3.358 1.00 3.54 O ATOM 80 NE2 GLN A 6 -4.737 -12.350 2.572 1.00 35.44 N ATOM 0 H GLN A 6 -2.856 -11.047 4.265 1.00 45.45 H new ATOM 0 HA GLN A 6 -2.455 -13.667 5.548 1.00 13.15 H new ATOM 0 HB2 GLN A 6 -2.224 -12.916 2.612 1.00 35.13 H new ATOM 0 HB3 GLN A 6 -1.513 -14.366 3.292 1.00 35.13 H new ATOM 0 HG2 GLN A 6 -3.544 -14.988 2.192 1.00 1.12 H new ATOM 0 HG3 GLN A 6 -3.794 -15.168 3.918 1.00 1.12 H new ATOM 0 HE21 GLN A 6 -3.809 -12.015 2.315 1.00 35.44 H new ATOM 0 HE22 GLN A 6 -5.547 -11.739 2.468 1.00 35.44 H new ATOM 89 N TYR A 7 0.044 -13.176 5.572 1.00 4.10 N ATOM 90 CA TYR A 7 1.441 -12.858 5.726 1.00 64.23 C ATOM 91 C TYR A 7 2.277 -14.015 5.216 1.00 25.22 C ATOM 92 O TYR A 7 2.061 -15.156 5.636 1.00 3.03 O ATOM 93 CB TYR A 7 1.767 -12.567 7.205 1.00 2.53 C ATOM 94 CG TYR A 7 3.253 -12.471 7.508 1.00 72.35 C ATOM 95 CD1 TYR A 7 4.004 -11.390 7.082 1.00 42.55 C ATOM 96 CD2 TYR A 7 3.904 -13.491 8.199 1.00 51.21 C ATOM 97 CE1 TYR A 7 5.358 -11.319 7.339 1.00 52.11 C ATOM 98 CE2 TYR A 7 5.258 -13.427 8.454 1.00 75.42 C ATOM 99 CZ TYR A 7 5.978 -12.339 8.025 1.00 30.21 C ATOM 100 OH TYR A 7 7.330 -12.276 8.265 1.00 53.32 O ATOM 0 H TYR A 7 -0.241 -14.026 6.058 1.00 4.10 H new ATOM 0 HA TYR A 7 1.673 -11.964 5.147 1.00 64.23 H new ATOM 0 HB2 TYR A 7 1.288 -11.632 7.494 1.00 2.53 H new ATOM 0 HB3 TYR A 7 1.332 -13.352 7.823 1.00 2.53 H new ATOM 0 HD1 TYR A 7 3.523 -10.589 6.540 1.00 42.55 H new ATOM 0 HD2 TYR A 7 3.339 -14.346 8.541 1.00 51.21 H new ATOM 0 HE1 TYR A 7 5.929 -10.466 7.003 1.00 52.11 H new ATOM 0 HE2 TYR A 7 5.749 -14.227 8.988 1.00 75.42 H new ATOM 0 HH TYR A 7 7.612 -13.073 8.761 1.00 53.32 H new ATOM 110 N LYS A 8 3.194 -13.752 4.316 1.00 1.45 N ATOM 111 CA LYS A 8 4.097 -14.787 3.867 1.00 55.31 C ATOM 112 C LYS A 8 5.408 -14.165 3.434 1.00 21.30 C ATOM 113 O LYS A 8 5.432 -13.344 2.553 1.00 71.43 O ATOM 114 CB LYS A 8 3.477 -15.596 2.704 1.00 3.04 C ATOM 115 CG LYS A 8 4.295 -16.819 2.252 1.00 34.21 C ATOM 116 CD LYS A 8 4.427 -17.860 3.370 1.00 75.24 C ATOM 117 CE LYS A 8 5.155 -19.127 2.902 1.00 2.12 C ATOM 118 NZ LYS A 8 6.558 -18.876 2.510 1.00 21.32 N ATOM 0 H LYS A 8 3.335 -12.839 3.883 1.00 1.45 H new ATOM 0 HA LYS A 8 4.279 -15.474 4.694 1.00 55.31 H new ATOM 0 HB2 LYS A 8 2.485 -15.933 3.004 1.00 3.04 H new ATOM 0 HB3 LYS A 8 3.343 -14.932 1.850 1.00 3.04 H new ATOM 0 HG2 LYS A 8 3.818 -17.275 1.385 1.00 34.21 H new ATOM 0 HG3 LYS A 8 5.287 -16.496 1.937 1.00 34.21 H new ATOM 0 HD2 LYS A 8 4.967 -17.422 4.209 1.00 75.24 H new ATOM 0 HD3 LYS A 8 3.435 -18.127 3.734 1.00 75.24 H new ATOM 0 HE2 LYS A 8 5.134 -19.868 3.701 1.00 2.12 H new ATOM 0 HE3 LYS A 8 4.618 -19.556 2.056 1.00 2.12 H new ATOM 0 HZ1 LYS A 8 7.008 -19.773 2.236 1.00 21.32 H new ATOM 0 HZ2 LYS A 8 6.581 -18.217 1.706 1.00 21.32 H new ATOM 0 HZ3 LYS A 8 7.074 -18.461 3.312 1.00 21.32 H new ATOM 132 N ASP A 9 6.478 -14.561 4.108 1.00 2.05 N ATOM 133 CA ASP A 9 7.889 -14.169 3.802 1.00 54.24 C ATOM 134 C ASP A 9 8.060 -12.649 3.665 1.00 20.23 C ATOM 135 O ASP A 9 8.869 -12.172 2.884 1.00 50.40 O ATOM 136 CB ASP A 9 8.362 -14.844 2.496 1.00 65.41 C ATOM 137 CG ASP A 9 8.054 -16.320 2.443 1.00 52.45 C ATOM 138 OD1 ASP A 9 8.195 -17.035 3.477 1.00 22.41 O ATOM 139 OD2 ASP A 9 7.554 -16.797 1.399 1.00 0.40 O ATOM 0 H ASP A 9 6.410 -15.184 4.913 1.00 2.05 H new ATOM 0 HA ASP A 9 8.495 -14.504 4.644 1.00 54.24 H new ATOM 0 HB2 ASP A 9 7.888 -14.350 1.648 1.00 65.41 H new ATOM 0 HB3 ASP A 9 9.437 -14.700 2.389 1.00 65.41 H new ATOM 144 N GLY A 10 7.352 -11.897 4.483 1.00 52.43 N ATOM 145 CA GLY A 10 7.461 -10.460 4.428 1.00 11.23 C ATOM 146 C GLY A 10 6.479 -9.818 3.458 1.00 24.24 C ATOM 147 O GLY A 10 6.330 -8.592 3.453 1.00 23.11 O ATOM 0 H GLY A 10 6.704 -12.255 5.184 1.00 52.43 H new ATOM 0 HA2 GLY A 10 7.296 -10.052 5.425 1.00 11.23 H new ATOM 0 HA3 GLY A 10 8.476 -10.190 4.138 1.00 11.23 H new ATOM 151 N TYR A 11 5.836 -10.628 2.633 1.00 25.43 N ATOM 152 CA TYR A 11 4.861 -10.150 1.670 1.00 40.21 C ATOM 153 C TYR A 11 3.543 -10.006 2.419 1.00 30.02 C ATOM 154 O TYR A 11 3.151 -10.908 3.187 1.00 40.11 O ATOM 155 CB TYR A 11 4.731 -11.163 0.505 1.00 25.33 C ATOM 156 CG TYR A 11 4.149 -10.617 -0.794 1.00 60.03 C ATOM 157 CD1 TYR A 11 2.784 -10.562 -1.014 1.00 1.32 C ATOM 158 CD2 TYR A 11 4.991 -10.177 -1.815 1.00 71.44 C ATOM 159 CE1 TYR A 11 2.270 -10.079 -2.209 1.00 64.24 C ATOM 160 CE2 TYR A 11 4.488 -9.694 -3.004 1.00 1.40 C ATOM 161 CZ TYR A 11 3.131 -9.646 -3.198 1.00 12.21 C ATOM 162 OH TYR A 11 2.630 -9.163 -4.385 1.00 40.14 O ATOM 0 H TYR A 11 5.977 -11.638 2.613 1.00 25.43 H new ATOM 0 HA TYR A 11 5.159 -9.195 1.237 1.00 40.21 H new ATOM 0 HB2 TYR A 11 5.719 -11.572 0.294 1.00 25.33 H new ATOM 0 HB3 TYR A 11 4.107 -11.992 0.839 1.00 25.33 H new ATOM 0 HD1 TYR A 11 2.108 -10.901 -0.243 1.00 1.32 H new ATOM 0 HD2 TYR A 11 6.061 -10.216 -1.671 1.00 71.44 H new ATOM 0 HE1 TYR A 11 1.202 -10.042 -2.365 1.00 64.24 H new ATOM 0 HE2 TYR A 11 5.159 -9.355 -3.779 1.00 1.40 H new ATOM 0 HH TYR A 11 3.371 -8.900 -4.970 1.00 40.14 H new ATOM 172 N TYR A 12 2.887 -8.898 2.227 1.00 31.22 N ATOM 173 CA TYR A 12 1.701 -8.574 2.978 1.00 31.32 C ATOM 174 C TYR A 12 0.521 -8.410 2.027 1.00 51.00 C ATOM 175 O TYR A 12 0.582 -7.617 1.084 1.00 51.34 O ATOM 176 CB TYR A 12 1.970 -7.270 3.756 1.00 73.43 C ATOM 177 CG TYR A 12 0.899 -6.842 4.736 1.00 50.33 C ATOM 178 CD1 TYR A 12 -0.168 -6.055 4.333 1.00 54.23 C ATOM 179 CD2 TYR A 12 0.977 -7.199 6.074 1.00 22.12 C ATOM 180 CE1 TYR A 12 -1.125 -5.646 5.228 1.00 54.51 C ATOM 181 CE2 TYR A 12 0.024 -6.787 6.981 1.00 20.13 C ATOM 182 CZ TYR A 12 -1.027 -6.011 6.552 1.00 32.31 C ATOM 183 OH TYR A 12 -1.983 -5.590 7.449 1.00 51.15 O ATOM 0 H TYR A 12 3.157 -8.190 1.544 1.00 31.22 H new ATOM 0 HA TYR A 12 1.456 -9.372 3.680 1.00 31.32 H new ATOM 0 HB2 TYR A 12 2.907 -7.384 4.301 1.00 73.43 H new ATOM 0 HB3 TYR A 12 2.116 -6.465 3.035 1.00 73.43 H new ATOM 0 HD1 TYR A 12 -0.248 -5.759 3.298 1.00 54.23 H new ATOM 0 HD2 TYR A 12 1.800 -7.811 6.412 1.00 22.12 H new ATOM 0 HE1 TYR A 12 -1.953 -5.039 4.894 1.00 54.51 H new ATOM 0 HE2 TYR A 12 0.102 -7.071 8.020 1.00 20.13 H new ATOM 0 HH TYR A 12 -1.769 -5.934 8.341 1.00 51.15 H new ATOM 193 N ILE A 13 -0.524 -9.175 2.245 1.00 22.13 N ATOM 194 CA ILE A 13 -1.721 -9.096 1.419 1.00 44.34 C ATOM 195 C ILE A 13 -2.916 -8.920 2.344 1.00 0.24 C ATOM 196 O ILE A 13 -3.020 -9.634 3.329 1.00 31.44 O ATOM 197 CB ILE A 13 -1.937 -10.402 0.594 1.00 42.44 C ATOM 198 CG1 ILE A 13 -0.653 -10.809 -0.135 1.00 45.00 C ATOM 199 CG2 ILE A 13 -3.054 -10.193 -0.422 1.00 33.41 C ATOM 200 CD1 ILE A 13 -0.747 -12.132 -0.877 1.00 0.34 C ATOM 0 H ILE A 13 -0.575 -9.867 2.993 1.00 22.13 H new ATOM 0 HA ILE A 13 -1.611 -8.263 0.725 1.00 44.34 H new ATOM 0 HB ILE A 13 -2.212 -11.199 1.284 1.00 42.44 H new ATOM 0 HG12 ILE A 13 -0.389 -10.026 -0.845 1.00 45.00 H new ATOM 0 HG13 ILE A 13 0.159 -10.869 0.590 1.00 45.00 H new ATOM 0 HG21 ILE A 13 -3.200 -11.108 -0.995 1.00 33.41 H new ATOM 0 HG22 ILE A 13 -3.977 -9.940 0.099 1.00 33.41 H new ATOM 0 HG23 ILE A 13 -2.784 -9.381 -1.097 1.00 33.41 H new ATOM 0 HD11 ILE A 13 0.204 -12.344 -1.365 1.00 0.34 H new ATOM 0 HD12 ILE A 13 -0.979 -12.929 -0.171 1.00 0.34 H new ATOM 0 HD13 ILE A 13 -1.534 -12.073 -1.628 1.00 0.34 H new ATOM 212 N THR A 14 -3.802 -8.004 2.046 1.00 33.12 N ATOM 213 CA THR A 14 -4.948 -7.787 2.898 1.00 51.33 C ATOM 214 C THR A 14 -6.130 -7.242 2.074 1.00 30.33 C ATOM 215 O THR A 14 -5.974 -6.908 0.890 1.00 73.21 O ATOM 216 CB THR A 14 -4.592 -6.823 4.086 1.00 43.22 C ATOM 217 OG1 THR A 14 -5.632 -6.831 5.083 1.00 30.42 O ATOM 218 CG2 THR A 14 -4.381 -5.391 3.595 1.00 42.21 C ATOM 0 H THR A 14 -3.755 -7.399 1.226 1.00 33.12 H new ATOM 0 HA THR A 14 -5.244 -8.743 3.329 1.00 51.33 H new ATOM 0 HB THR A 14 -3.664 -7.187 4.527 1.00 43.22 H new ATOM 0 HG1 THR A 14 -5.389 -6.225 5.814 1.00 30.42 H new ATOM 0 HG21 THR A 14 -4.136 -4.749 4.441 1.00 42.21 H new ATOM 0 HG22 THR A 14 -3.563 -5.370 2.875 1.00 42.21 H new ATOM 0 HG23 THR A 14 -5.293 -5.032 3.119 1.00 42.21 H new ATOM 226 N THR A 15 -7.289 -7.191 2.680 1.00 50.21 N ATOM 227 CA THR A 15 -8.471 -6.658 2.059 1.00 74.43 C ATOM 228 C THR A 15 -8.983 -5.510 2.907 1.00 72.54 C ATOM 229 O THR A 15 -9.153 -5.651 4.117 1.00 61.34 O ATOM 230 CB THR A 15 -9.589 -7.729 1.926 1.00 34.51 C ATOM 231 OG1 THR A 15 -9.115 -8.848 1.164 1.00 31.21 O ATOM 232 CG2 THR A 15 -10.827 -7.160 1.233 1.00 53.42 C ATOM 0 H THR A 15 -7.438 -7.524 3.633 1.00 50.21 H new ATOM 0 HA THR A 15 -8.211 -6.322 1.055 1.00 74.43 H new ATOM 0 HB THR A 15 -9.858 -8.044 2.934 1.00 34.51 H new ATOM 0 HG1 THR A 15 -9.827 -9.517 1.088 1.00 31.21 H new ATOM 0 HG21 THR A 15 -11.589 -7.935 1.156 1.00 53.42 H new ATOM 0 HG22 THR A 15 -11.217 -6.324 1.813 1.00 53.42 H new ATOM 0 HG23 THR A 15 -10.559 -6.815 0.235 1.00 53.42 H new ATOM 240 N LEU A 16 -9.189 -4.395 2.288 1.00 74.04 N ATOM 241 CA LEU A 16 -9.708 -3.247 2.942 1.00 31.31 C ATOM 242 C LEU A 16 -11.109 -3.026 2.467 1.00 34.41 C ATOM 243 O LEU A 16 -11.346 -2.885 1.267 1.00 2.21 O ATOM 244 CB LEU A 16 -8.839 -2.022 2.642 1.00 23.34 C ATOM 245 CG LEU A 16 -7.428 -2.041 3.233 1.00 52.53 C ATOM 246 CD1 LEU A 16 -6.677 -0.772 2.857 1.00 72.12 C ATOM 247 CD2 LEU A 16 -7.490 -2.195 4.747 1.00 15.32 C ATOM 0 H LEU A 16 -8.997 -4.257 1.296 1.00 74.04 H new ATOM 0 HA LEU A 16 -9.704 -3.401 4.021 1.00 31.31 H new ATOM 0 HB2 LEU A 16 -8.757 -1.915 1.560 1.00 23.34 H new ATOM 0 HB3 LEU A 16 -9.355 -1.136 3.012 1.00 23.34 H new ATOM 0 HG LEU A 16 -6.890 -2.894 2.820 1.00 52.53 H new ATOM 0 HD11 LEU A 16 -5.675 -0.802 3.285 1.00 72.12 H new ATOM 0 HD12 LEU A 16 -6.606 -0.699 1.772 1.00 72.12 H new ATOM 0 HD13 LEU A 16 -7.212 0.095 3.244 1.00 72.12 H new ATOM 0 HD21 LEU A 16 -6.479 -2.207 5.153 1.00 15.32 H new ATOM 0 HD22 LEU A 16 -8.043 -1.359 5.175 1.00 15.32 H new ATOM 0 HD23 LEU A 16 -7.993 -3.129 4.997 1.00 15.32 H new ATOM 259 N ASN A 17 -12.038 -3.001 3.382 1.00 32.22 N ATOM 260 CA ASN A 17 -13.438 -2.796 3.034 1.00 32.25 C ATOM 261 C ASN A 17 -13.721 -1.318 2.929 1.00 2.35 C ATOM 262 O ASN A 17 -14.435 -0.741 3.742 1.00 10.40 O ATOM 263 CB ASN A 17 -14.396 -3.467 4.040 1.00 21.33 C ATOM 264 CG ASN A 17 -14.259 -4.982 4.100 1.00 34.21 C ATOM 265 OD1 ASN A 17 -13.889 -5.629 3.130 1.00 23.33 O ATOM 266 ND2 ASN A 17 -14.566 -5.559 5.243 1.00 41.25 N ATOM 0 H ASN A 17 -11.862 -3.119 4.380 1.00 32.22 H new ATOM 0 HA ASN A 17 -13.617 -3.271 2.069 1.00 32.25 H new ATOM 0 HB2 ASN A 17 -14.213 -3.055 5.032 1.00 21.33 H new ATOM 0 HB3 ASN A 17 -15.422 -3.214 3.774 1.00 21.33 H new ATOM 0 HD21 ASN A 17 -14.498 -6.572 5.337 1.00 41.25 H new ATOM 0 HD22 ASN A 17 -14.872 -4.993 6.034 1.00 41.25 H new ATOM 273 N TYR A 18 -13.065 -0.706 1.980 1.00 42.24 N ATOM 274 CA TYR A 18 -13.175 0.700 1.708 1.00 62.24 C ATOM 275 C TYR A 18 -13.077 0.873 0.204 1.00 13.23 C ATOM 276 O TYR A 18 -12.469 0.030 -0.476 1.00 31.10 O ATOM 277 CB TYR A 18 -12.046 1.506 2.402 1.00 14.14 C ATOM 278 CG TYR A 18 -12.013 1.431 3.934 1.00 45.52 C ATOM 279 CD1 TYR A 18 -12.778 2.291 4.716 1.00 44.03 C ATOM 280 CD2 TYR A 18 -11.204 0.509 4.587 1.00 33.05 C ATOM 281 CE1 TYR A 18 -12.735 2.226 6.102 1.00 20.02 C ATOM 282 CE2 TYR A 18 -11.157 0.435 5.967 1.00 43.34 C ATOM 283 CZ TYR A 18 -11.922 1.294 6.721 1.00 5.14 C ATOM 284 OH TYR A 18 -11.878 1.224 8.101 1.00 21.43 O ATOM 0 H TYR A 18 -12.419 -1.189 1.356 1.00 42.24 H new ATOM 0 HA TYR A 18 -14.122 1.076 2.094 1.00 62.24 H new ATOM 0 HB2 TYR A 18 -11.088 1.155 2.020 1.00 14.14 H new ATOM 0 HB3 TYR A 18 -12.141 2.552 2.111 1.00 14.14 H new ATOM 0 HD1 TYR A 18 -13.415 3.020 4.237 1.00 44.03 H new ATOM 0 HD2 TYR A 18 -10.597 -0.166 4.002 1.00 33.05 H new ATOM 0 HE1 TYR A 18 -13.334 2.901 6.695 1.00 20.02 H new ATOM 0 HE2 TYR A 18 -10.523 -0.294 6.450 1.00 43.34 H new ATOM 0 HH TYR A 18 -10.945 1.246 8.400 1.00 21.43 H new ATOM 294 N ASN A 19 -13.629 1.958 -0.295 1.00 14.40 N ATOM 295 CA ASN A 19 -13.699 2.230 -1.737 1.00 61.21 C ATOM 296 C ASN A 19 -12.320 2.468 -2.349 1.00 62.41 C ATOM 297 O ASN A 19 -11.530 3.256 -1.836 1.00 2.21 O ATOM 298 CB ASN A 19 -14.630 3.434 -2.000 1.00 44.13 C ATOM 299 CG ASN A 19 -14.533 3.985 -3.412 1.00 4.23 C ATOM 300 OD1 ASN A 19 -13.722 4.862 -3.666 1.00 3.54 O ATOM 301 ND2 ASN A 19 -15.355 3.516 -4.319 1.00 21.44 N ATOM 0 H ASN A 19 -14.048 2.688 0.281 1.00 14.40 H new ATOM 0 HA ASN A 19 -14.110 1.344 -2.222 1.00 61.21 H new ATOM 0 HB2 ASN A 19 -15.660 3.134 -1.807 1.00 44.13 H new ATOM 0 HB3 ASN A 19 -14.391 4.228 -1.293 1.00 44.13 H new ATOM 0 HD21 ASN A 19 -15.329 3.884 -5.270 1.00 21.44 H new ATOM 0 HD22 ASN A 19 -16.021 2.783 -4.074 1.00 21.44 H new ATOM 308 N PHE A 20 -12.070 1.795 -3.466 1.00 0.22 N ATOM 309 CA PHE A 20 -10.800 1.833 -4.202 1.00 60.52 C ATOM 310 C PHE A 20 -10.293 3.255 -4.485 1.00 74.41 C ATOM 311 O PHE A 20 -9.100 3.538 -4.328 1.00 51.02 O ATOM 312 CB PHE A 20 -10.993 1.046 -5.502 1.00 71.13 C ATOM 313 CG PHE A 20 -9.885 1.135 -6.520 1.00 52.22 C ATOM 314 CD1 PHE A 20 -8.741 0.370 -6.398 1.00 14.15 C ATOM 315 CD2 PHE A 20 -10.019 1.960 -7.629 1.00 1.41 C ATOM 316 CE1 PHE A 20 -7.753 0.427 -7.353 1.00 43.45 C ATOM 317 CE2 PHE A 20 -9.030 2.027 -8.582 1.00 71.14 C ATOM 318 CZ PHE A 20 -7.898 1.259 -8.448 1.00 35.34 C ATOM 0 H PHE A 20 -12.763 1.187 -3.903 1.00 0.22 H new ATOM 0 HA PHE A 20 -10.027 1.381 -3.580 1.00 60.52 H new ATOM 0 HB2 PHE A 20 -11.136 -0.004 -5.246 1.00 71.13 H new ATOM 0 HB3 PHE A 20 -11.915 1.387 -5.972 1.00 71.13 H new ATOM 0 HD1 PHE A 20 -8.621 -0.280 -5.544 1.00 14.15 H new ATOM 0 HD2 PHE A 20 -10.912 2.557 -7.744 1.00 1.41 H new ATOM 0 HE1 PHE A 20 -6.864 -0.178 -7.248 1.00 43.45 H new ATOM 0 HE2 PHE A 20 -9.142 2.681 -9.434 1.00 71.14 H new ATOM 0 HZ PHE A 20 -7.122 1.305 -9.198 1.00 35.34 H new ATOM 328 N ASN A 21 -11.196 4.142 -4.853 1.00 34.01 N ATOM 329 CA ASN A 21 -10.831 5.501 -5.222 1.00 71.24 C ATOM 330 C ASN A 21 -10.247 6.244 -4.038 1.00 13.02 C ATOM 331 O ASN A 21 -9.192 6.889 -4.151 1.00 42.41 O ATOM 332 CB ASN A 21 -12.031 6.268 -5.804 1.00 22.43 C ATOM 333 CG ASN A 21 -12.632 5.589 -7.023 1.00 32.34 C ATOM 334 OD1 ASN A 21 -13.512 4.740 -6.903 1.00 11.15 O ATOM 335 ND2 ASN A 21 -12.176 5.956 -8.196 1.00 41.22 N ATOM 0 H ASN A 21 -12.196 3.947 -4.906 1.00 34.01 H new ATOM 0 HA ASN A 21 -10.068 5.436 -5.998 1.00 71.24 H new ATOM 0 HB2 ASN A 21 -12.798 6.370 -5.036 1.00 22.43 H new ATOM 0 HB3 ASN A 21 -11.715 7.276 -6.074 1.00 22.43 H new ATOM 0 HD21 ASN A 21 -12.553 5.534 -9.045 1.00 41.22 H new ATOM 0 HD22 ASN A 21 -11.445 6.664 -8.260 1.00 41.22 H new ATOM 342 N THR A 22 -10.909 6.155 -2.903 1.00 54.33 N ATOM 343 CA THR A 22 -10.412 6.797 -1.716 1.00 74.11 C ATOM 344 C THR A 22 -9.149 6.095 -1.187 1.00 60.24 C ATOM 345 O THR A 22 -8.232 6.765 -0.720 1.00 75.04 O ATOM 346 CB THR A 22 -11.502 7.022 -0.605 1.00 30.00 C ATOM 347 OG1 THR A 22 -10.951 7.736 0.509 1.00 40.10 O ATOM 348 CG2 THR A 22 -12.101 5.719 -0.110 1.00 42.41 C ATOM 0 H THR A 22 -11.785 5.647 -2.783 1.00 54.33 H new ATOM 0 HA THR A 22 -10.123 7.805 -2.014 1.00 74.11 H new ATOM 0 HB THR A 22 -12.296 7.608 -1.067 1.00 30.00 H new ATOM 0 HG1 THR A 22 -11.645 7.867 1.189 1.00 40.10 H new ATOM 0 HG21 THR A 22 -12.848 5.929 0.656 1.00 42.41 H new ATOM 0 HG22 THR A 22 -12.572 5.196 -0.942 1.00 42.41 H new ATOM 0 HG23 THR A 22 -11.314 5.094 0.313 1.00 42.41 H new ATOM 356 N VAL A 23 -9.098 4.753 -1.293 1.00 3.21 N ATOM 357 CA VAL A 23 -7.936 3.972 -0.834 1.00 41.22 C ATOM 358 C VAL A 23 -6.659 4.396 -1.563 1.00 73.24 C ATOM 359 O VAL A 23 -5.618 4.619 -0.921 1.00 74.11 O ATOM 360 CB VAL A 23 -8.152 2.427 -0.999 1.00 55.14 C ATOM 361 CG1 VAL A 23 -6.891 1.645 -0.657 1.00 73.10 C ATOM 362 CG2 VAL A 23 -9.288 1.947 -0.119 1.00 24.41 C ATOM 0 H VAL A 23 -9.848 4.189 -1.692 1.00 3.21 H new ATOM 0 HA VAL A 23 -7.827 4.184 0.230 1.00 41.22 H new ATOM 0 HB VAL A 23 -8.400 2.249 -2.045 1.00 55.14 H new ATOM 0 HG11 VAL A 23 -7.079 0.579 -0.783 1.00 73.10 H new ATOM 0 HG12 VAL A 23 -6.082 1.952 -1.320 1.00 73.10 H new ATOM 0 HG13 VAL A 23 -6.609 1.844 0.377 1.00 73.10 H new ATOM 0 HG21 VAL A 23 -9.420 0.873 -0.249 1.00 24.41 H new ATOM 0 HG22 VAL A 23 -9.055 2.160 0.924 1.00 24.41 H new ATOM 0 HG23 VAL A 23 -10.207 2.462 -0.398 1.00 24.41 H new ATOM 372 N TYR A 24 -6.749 4.554 -2.882 1.00 51.22 N ATOM 373 CA TYR A 24 -5.592 4.952 -3.678 1.00 74.40 C ATOM 374 C TYR A 24 -5.068 6.303 -3.233 1.00 31.23 C ATOM 375 O TYR A 24 -3.867 6.470 -2.999 1.00 65.21 O ATOM 376 CB TYR A 24 -5.923 4.974 -5.177 1.00 4.41 C ATOM 377 CG TYR A 24 -4.748 5.377 -6.057 1.00 42.11 C ATOM 378 CD1 TYR A 24 -3.634 4.558 -6.171 1.00 13.23 C ATOM 379 CD2 TYR A 24 -4.751 6.576 -6.765 1.00 15.53 C ATOM 380 CE1 TYR A 24 -2.560 4.912 -6.963 1.00 53.25 C ATOM 381 CE2 TYR A 24 -3.680 6.937 -7.566 1.00 33.11 C ATOM 382 CZ TYR A 24 -2.587 6.100 -7.660 1.00 33.35 C ATOM 383 OH TYR A 24 -1.521 6.438 -8.469 1.00 74.44 O ATOM 0 H TYR A 24 -7.605 4.413 -3.418 1.00 51.22 H new ATOM 0 HA TYR A 24 -4.813 4.207 -3.516 1.00 74.40 H new ATOM 0 HB2 TYR A 24 -6.269 3.985 -5.478 1.00 4.41 H new ATOM 0 HB3 TYR A 24 -6.748 5.666 -5.348 1.00 4.41 H new ATOM 0 HD1 TYR A 24 -3.606 3.624 -5.629 1.00 13.23 H new ATOM 0 HD2 TYR A 24 -5.603 7.236 -6.688 1.00 15.53 H new ATOM 0 HE1 TYR A 24 -1.702 4.260 -7.036 1.00 53.25 H new ATOM 0 HE2 TYR A 24 -3.700 7.868 -8.113 1.00 33.11 H new ATOM 0 HH TYR A 24 -1.694 7.305 -8.892 1.00 74.44 H new ATOM 393 N ASN A 25 -5.981 7.239 -3.055 1.00 12.54 N ATOM 394 CA ASN A 25 -5.630 8.576 -2.641 1.00 61.31 C ATOM 395 C ASN A 25 -5.041 8.586 -1.251 1.00 1.30 C ATOM 396 O ASN A 25 -4.005 9.186 -1.030 1.00 2.41 O ATOM 397 CB ASN A 25 -6.827 9.529 -2.731 1.00 42.34 C ATOM 398 CG ASN A 25 -7.126 9.990 -4.151 1.00 34.31 C ATOM 399 OD1 ASN A 25 -6.599 10.987 -4.607 1.00 13.32 O ATOM 400 ND2 ASN A 25 -7.980 9.282 -4.854 1.00 40.24 N ATOM 0 H ASN A 25 -6.981 7.091 -3.194 1.00 12.54 H new ATOM 0 HA ASN A 25 -4.868 8.935 -3.333 1.00 61.31 H new ATOM 0 HB2 ASN A 25 -7.708 9.033 -2.325 1.00 42.34 H new ATOM 0 HB3 ASN A 25 -6.635 10.401 -2.106 1.00 42.34 H new ATOM 0 HD21 ASN A 25 -8.215 9.564 -5.806 1.00 40.24 H new ATOM 0 HD22 ASN A 25 -8.408 8.450 -4.448 1.00 40.24 H new ATOM 407 N ALA A 26 -5.671 7.863 -0.337 1.00 14.52 N ATOM 408 CA ALA A 26 -5.237 7.803 1.056 1.00 23.13 C ATOM 409 C ALA A 26 -3.825 7.237 1.173 1.00 53.12 C ATOM 410 O ALA A 26 -2.984 7.795 1.869 1.00 73.02 O ATOM 411 CB ALA A 26 -6.207 6.963 1.855 1.00 0.53 C ATOM 0 H ALA A 26 -6.498 7.300 -0.537 1.00 14.52 H new ATOM 0 HA ALA A 26 -5.222 8.817 1.455 1.00 23.13 H new ATOM 0 HB1 ALA A 26 -5.881 6.920 2.894 1.00 0.53 H new ATOM 0 HB2 ALA A 26 -7.201 7.408 1.805 1.00 0.53 H new ATOM 0 HB3 ALA A 26 -6.240 5.954 1.443 1.00 0.53 H new ATOM 417 N THR A 27 -3.576 6.151 0.467 1.00 71.04 N ATOM 418 CA THR A 27 -2.271 5.514 0.445 1.00 14.14 C ATOM 419 C THR A 27 -1.229 6.472 -0.116 1.00 63.31 C ATOM 420 O THR A 27 -0.147 6.622 0.453 1.00 11.32 O ATOM 421 CB THR A 27 -2.299 4.258 -0.428 1.00 73.20 C ATOM 422 OG1 THR A 27 -3.383 3.413 -0.024 1.00 14.14 O ATOM 423 CG2 THR A 27 -0.987 3.484 -0.316 1.00 75.01 C ATOM 0 H THR A 27 -4.275 5.683 -0.110 1.00 71.04 H new ATOM 0 HA THR A 27 -2.014 5.241 1.468 1.00 14.14 H new ATOM 0 HB THR A 27 -2.434 4.567 -1.465 1.00 73.20 H new ATOM 0 HG1 THR A 27 -4.197 3.673 -0.504 1.00 14.14 H new ATOM 0 HG21 THR A 27 -1.034 2.596 -0.946 1.00 75.01 H new ATOM 0 HG22 THR A 27 -0.162 4.117 -0.642 1.00 75.01 H new ATOM 0 HG23 THR A 27 -0.828 3.186 0.720 1.00 75.01 H new ATOM 431 N LEU A 28 -1.581 7.132 -1.217 1.00 74.13 N ATOM 432 CA LEU A 28 -0.717 8.095 -1.862 1.00 44.30 C ATOM 433 C LEU A 28 -0.356 9.202 -0.879 1.00 15.45 C ATOM 434 O LEU A 28 0.798 9.497 -0.688 1.00 33.24 O ATOM 435 CB LEU A 28 -1.407 8.655 -3.118 1.00 54.35 C ATOM 436 CG LEU A 28 -0.735 9.840 -3.833 1.00 52.25 C ATOM 437 CD1 LEU A 28 0.586 9.431 -4.450 1.00 51.35 C ATOM 438 CD2 LEU A 28 -1.664 10.424 -4.884 1.00 62.44 C ATOM 0 H LEU A 28 -2.480 7.007 -1.683 1.00 74.13 H new ATOM 0 HA LEU A 28 0.207 7.610 -2.176 1.00 44.30 H new ATOM 0 HB2 LEU A 28 -1.507 7.842 -3.837 1.00 54.35 H new ATOM 0 HB3 LEU A 28 -2.416 8.959 -2.839 1.00 54.35 H new ATOM 0 HG LEU A 28 -0.529 10.609 -3.089 1.00 52.25 H new ATOM 0 HD11 LEU A 28 1.036 10.290 -4.948 1.00 51.35 H new ATOM 0 HD12 LEU A 28 1.256 9.071 -3.669 1.00 51.35 H new ATOM 0 HD13 LEU A 28 0.417 8.637 -5.178 1.00 51.35 H new ATOM 0 HD21 LEU A 28 -1.172 11.261 -5.380 1.00 62.44 H new ATOM 0 HD22 LEU A 28 -1.907 9.658 -5.621 1.00 62.44 H new ATOM 0 HD23 LEU A 28 -2.580 10.772 -4.407 1.00 62.44 H new ATOM 450 N GLN A 29 -1.355 9.757 -0.223 1.00 14.43 N ATOM 451 CA GLN A 29 -1.160 10.801 0.787 1.00 23.14 C ATOM 452 C GLN A 29 -0.235 10.317 1.905 1.00 50.10 C ATOM 453 O GLN A 29 0.694 11.015 2.288 1.00 31.31 O ATOM 454 CB GLN A 29 -2.497 11.213 1.390 1.00 45.21 C ATOM 455 CG GLN A 29 -3.474 11.805 0.399 1.00 3.41 C ATOM 456 CD GLN A 29 -4.840 12.040 1.007 1.00 43.12 C ATOM 457 OE1 GLN A 29 -5.266 11.324 1.910 1.00 61.14 O ATOM 458 NE2 GLN A 29 -5.538 13.030 0.516 1.00 5.23 N ATOM 0 H GLN A 29 -2.332 9.502 -0.369 1.00 14.43 H new ATOM 0 HA GLN A 29 -0.701 11.658 0.293 1.00 23.14 H new ATOM 0 HB2 GLN A 29 -2.955 10.341 1.857 1.00 45.21 H new ATOM 0 HB3 GLN A 29 -2.316 11.940 2.182 1.00 45.21 H new ATOM 0 HG2 GLN A 29 -3.079 12.749 0.023 1.00 3.41 H new ATOM 0 HG3 GLN A 29 -3.570 11.136 -0.456 1.00 3.41 H new ATOM 0 HE21 GLN A 29 -5.152 13.604 -0.234 1.00 5.23 H new ATOM 0 HE22 GLN A 29 -6.469 13.229 0.883 1.00 5.23 H new ATOM 467 N ALA A 30 -0.467 9.100 2.362 1.00 61.22 N ATOM 468 CA ALA A 30 0.283 8.507 3.461 1.00 60.53 C ATOM 469 C ALA A 30 1.783 8.462 3.178 1.00 73.32 C ATOM 470 O ALA A 30 2.600 8.865 4.017 1.00 75.23 O ATOM 471 CB ALA A 30 -0.229 7.097 3.728 1.00 71.42 C ATOM 0 H ALA A 30 -1.187 8.488 1.979 1.00 61.22 H new ATOM 0 HA ALA A 30 0.132 9.136 4.339 1.00 60.53 H new ATOM 0 HB1 ALA A 30 0.334 6.655 4.551 1.00 71.42 H new ATOM 0 HB2 ALA A 30 -1.286 7.138 3.992 1.00 71.42 H new ATOM 0 HB3 ALA A 30 -0.101 6.488 2.833 1.00 71.42 H new ATOM 477 N ILE A 31 2.131 8.011 2.000 1.00 40.03 N ATOM 478 CA ILE A 31 3.520 7.834 1.627 1.00 4.10 C ATOM 479 C ILE A 31 4.147 9.139 1.073 1.00 11.42 C ATOM 480 O ILE A 31 5.213 9.546 1.510 1.00 3.45 O ATOM 481 CB ILE A 31 3.661 6.630 0.624 1.00 71.43 C ATOM 482 CG1 ILE A 31 5.109 6.369 0.196 1.00 64.12 C ATOM 483 CG2 ILE A 31 2.763 6.797 -0.595 1.00 30.15 C ATOM 484 CD1 ILE A 31 5.240 5.177 -0.727 1.00 63.22 C ATOM 0 H ILE A 31 1.465 7.755 1.271 1.00 40.03 H new ATOM 0 HA ILE A 31 4.086 7.592 2.526 1.00 4.10 H new ATOM 0 HB ILE A 31 3.329 5.751 1.176 1.00 71.43 H new ATOM 0 HG12 ILE A 31 5.501 7.255 -0.304 1.00 64.12 H new ATOM 0 HG13 ILE A 31 5.722 6.206 1.083 1.00 64.12 H new ATOM 0 HG21 ILE A 31 2.892 5.944 -1.261 1.00 30.15 H new ATOM 0 HG22 ILE A 31 1.722 6.854 -0.275 1.00 30.15 H new ATOM 0 HG23 ILE A 31 3.031 7.713 -1.122 1.00 30.15 H new ATOM 0 HD11 ILE A 31 6.287 5.040 -0.998 1.00 63.22 H new ATOM 0 HD12 ILE A 31 4.876 4.283 -0.221 1.00 63.22 H new ATOM 0 HD13 ILE A 31 4.652 5.348 -1.628 1.00 63.22 H new ATOM 496 N GLN A 32 3.409 9.820 0.211 1.00 31.23 N ATOM 497 CA GLN A 32 3.885 11.006 -0.516 1.00 2.33 C ATOM 498 C GLN A 32 3.975 12.230 0.401 1.00 1.24 C ATOM 499 O GLN A 32 4.892 13.021 0.302 1.00 11.45 O ATOM 500 CB GLN A 32 2.915 11.237 -1.714 1.00 1.33 C ATOM 501 CG GLN A 32 3.224 12.342 -2.729 1.00 2.22 C ATOM 502 CD GLN A 32 2.983 13.781 -2.247 1.00 25.44 C ATOM 503 OE1 GLN A 32 2.000 13.979 -1.393 1.00 2.45 O flip ATOM 504 NE2 GLN A 32 3.648 14.708 -2.676 1.00 43.22 N flip ATOM 0 H GLN A 32 2.446 9.568 -0.013 1.00 31.23 H new ATOM 0 HA GLN A 32 4.898 10.846 -0.886 1.00 2.33 H new ATOM 0 HB2 GLN A 32 2.844 10.298 -2.264 1.00 1.33 H new ATOM 0 HB3 GLN A 32 1.927 11.439 -1.301 1.00 1.33 H new ATOM 0 HG2 GLN A 32 4.267 12.250 -3.031 1.00 2.22 H new ATOM 0 HG3 GLN A 32 2.618 12.171 -3.619 1.00 2.22 H new ATOM 0 HE21 GLN A 32 4.404 14.530 -3.337 1.00 43.22 H new ATOM 0 HE22 GLN A 32 3.448 15.662 -2.374 1.00 43.22 H new ATOM 513 N ASN A 33 3.033 12.366 1.323 1.00 1.33 N ATOM 514 CA ASN A 33 3.005 13.560 2.180 1.00 0.42 C ATOM 515 C ASN A 33 3.827 13.304 3.446 1.00 11.34 C ATOM 516 O ASN A 33 3.913 14.144 4.331 1.00 15.41 O ATOM 517 CB ASN A 33 1.542 13.940 2.532 1.00 23.31 C ATOM 518 CG ASN A 33 1.363 15.359 3.083 1.00 5.33 C ATOM 519 OD1 ASN A 33 1.147 16.300 2.328 1.00 32.11 O ATOM 520 ND2 ASN A 33 1.433 15.525 4.383 1.00 20.31 N ATOM 0 H ASN A 33 2.292 11.688 1.501 1.00 1.33 H new ATOM 0 HA ASN A 33 3.447 14.399 1.642 1.00 0.42 H new ATOM 0 HB2 ASN A 33 0.928 13.832 1.638 1.00 23.31 H new ATOM 0 HB3 ASN A 33 1.163 13.229 3.267 1.00 23.31 H new ATOM 0 HD21 ASN A 33 1.306 16.453 4.786 1.00 20.31 H new ATOM 0 HD22 ASN A 33 1.614 14.726 4.990 1.00 20.31 H new ATOM 527 N GLY A 34 4.439 12.127 3.507 1.00 22.22 N ATOM 528 CA GLY A 34 5.262 11.760 4.638 1.00 33.23 C ATOM 529 C GLY A 34 4.484 11.661 5.934 1.00 54.43 C ATOM 530 O GLY A 34 4.871 12.238 6.941 1.00 45.34 O ATOM 0 H GLY A 34 4.376 11.413 2.781 1.00 22.22 H new ATOM 0 HA2 GLY A 34 5.741 10.802 4.435 1.00 33.23 H new ATOM 0 HA3 GLY A 34 6.058 12.496 4.754 1.00 33.23 H new ATOM 534 N GLN A 35 3.391 10.904 5.923 1.00 54.45 N ATOM 535 CA GLN A 35 2.576 10.732 7.127 1.00 22.31 C ATOM 536 C GLN A 35 3.171 9.658 8.029 1.00 61.51 C ATOM 537 O GLN A 35 2.634 9.341 9.083 1.00 31.12 O ATOM 538 CB GLN A 35 1.132 10.381 6.782 1.00 53.44 C ATOM 539 CG GLN A 35 0.415 11.444 5.965 1.00 53.15 C ATOM 540 CD GLN A 35 -1.061 11.135 5.743 1.00 14.53 C ATOM 541 OE1 GLN A 35 -1.638 11.515 4.736 1.00 0.01 O ATOM 542 NE2 GLN A 35 -1.684 10.463 6.687 1.00 34.54 N ATOM 0 H GLN A 35 3.049 10.403 5.103 1.00 54.45 H new ATOM 0 HA GLN A 35 2.575 11.684 7.658 1.00 22.31 H new ATOM 0 HB2 GLN A 35 1.120 9.442 6.228 1.00 53.44 H new ATOM 0 HB3 GLN A 35 0.579 10.213 7.706 1.00 53.44 H new ATOM 0 HG2 GLN A 35 0.506 12.405 6.471 1.00 53.15 H new ATOM 0 HG3 GLN A 35 0.908 11.544 4.998 1.00 53.15 H new ATOM 0 HE21 GLN A 35 -1.175 10.159 7.517 1.00 34.54 H new ATOM 0 HE22 GLN A 35 -2.676 10.246 6.589 1.00 34.54 H new ATOM 551 N THR A 36 4.262 9.106 7.587 1.00 33.42 N ATOM 552 CA THR A 36 4.984 8.121 8.305 1.00 21.42 C ATOM 553 C THR A 36 6.413 8.168 7.795 1.00 32.32 C ATOM 554 O THR A 36 6.660 8.684 6.693 1.00 32.21 O ATOM 555 CB THR A 36 4.368 6.689 8.116 1.00 54.33 C ATOM 556 OG1 THR A 36 5.067 5.722 8.917 1.00 5.14 O ATOM 557 CG2 THR A 36 4.388 6.248 6.647 1.00 23.21 C ATOM 0 H THR A 36 4.680 9.343 6.687 1.00 33.42 H new ATOM 0 HA THR A 36 4.940 8.327 9.374 1.00 21.42 H new ATOM 0 HB THR A 36 3.329 6.745 8.442 1.00 54.33 H new ATOM 0 HG1 THR A 36 4.666 4.837 8.786 1.00 5.14 H new ATOM 0 HG21 THR A 36 3.953 5.252 6.560 1.00 23.21 H new ATOM 0 HG22 THR A 36 3.808 6.951 6.048 1.00 23.21 H new ATOM 0 HG23 THR A 36 5.417 6.227 6.287 1.00 23.21 H new ATOM 565 N PHE A 37 7.327 7.684 8.579 1.00 61.40 N ATOM 566 CA PHE A 37 8.719 7.630 8.216 1.00 25.45 C ATOM 567 C PHE A 37 9.175 6.201 8.353 1.00 13.10 C ATOM 568 O PHE A 37 8.512 5.413 9.037 1.00 74.14 O ATOM 569 CB PHE A 37 9.577 8.585 9.083 1.00 25.04 C ATOM 570 CG PHE A 37 9.524 8.329 10.575 1.00 33.05 C ATOM 571 CD1 PHE A 37 8.528 8.898 11.357 1.00 74.03 C ATOM 572 CD2 PHE A 37 10.475 7.530 11.195 1.00 64.05 C ATOM 573 CE1 PHE A 37 8.482 8.673 12.718 1.00 52.54 C ATOM 574 CE2 PHE A 37 10.433 7.300 12.554 1.00 55.33 C ATOM 575 CZ PHE A 37 9.435 7.873 13.318 1.00 53.23 C ATOM 0 H PHE A 37 7.128 7.308 9.506 1.00 61.40 H new ATOM 0 HA PHE A 37 8.845 7.966 7.187 1.00 25.45 H new ATOM 0 HB2 PHE A 37 10.614 8.513 8.755 1.00 25.04 H new ATOM 0 HB3 PHE A 37 9.254 9.609 8.895 1.00 25.04 H new ATOM 0 HD1 PHE A 37 7.780 9.525 10.895 1.00 74.03 H new ATOM 0 HD2 PHE A 37 11.260 7.082 10.604 1.00 64.05 H new ATOM 0 HE1 PHE A 37 7.701 9.122 13.314 1.00 52.54 H new ATOM 0 HE2 PHE A 37 11.179 6.673 13.020 1.00 55.33 H new ATOM 0 HZ PHE A 37 9.400 7.696 14.383 1.00 53.23 H new ATOM 585 N ASP A 38 10.251 5.846 7.706 1.00 30.31 N ATOM 586 CA ASP A 38 10.723 4.482 7.789 1.00 71.44 C ATOM 587 C ASP A 38 11.679 4.328 8.958 1.00 14.34 C ATOM 588 O ASP A 38 12.287 5.304 9.398 1.00 75.24 O ATOM 589 CB ASP A 38 11.394 4.017 6.493 1.00 23.34 C ATOM 590 CG ASP A 38 11.683 2.536 6.545 1.00 65.55 C ATOM 591 OD1 ASP A 38 10.765 1.755 6.308 1.00 34.01 O ATOM 592 OD2 ASP A 38 12.806 2.143 6.924 1.00 52.04 O ATOM 0 H ASP A 38 10.813 6.467 7.123 1.00 30.31 H new ATOM 0 HA ASP A 38 9.850 3.848 7.946 1.00 71.44 H new ATOM 0 HB2 ASP A 38 10.748 4.237 5.643 1.00 23.34 H new ATOM 0 HB3 ASP A 38 12.321 4.569 6.339 1.00 23.34 H new ATOM 597 N TYR A 39 11.831 3.108 9.420 1.00 13.52 N ATOM 598 CA TYR A 39 12.651 2.776 10.562 1.00 14.31 C ATOM 599 C TYR A 39 14.138 2.976 10.256 1.00 33.23 C ATOM 600 O TYR A 39 14.923 3.237 11.157 1.00 4.12 O ATOM 601 CB TYR A 39 12.383 1.326 10.982 1.00 62.34 C ATOM 602 CG TYR A 39 10.913 1.028 11.215 1.00 42.13 C ATOM 603 CD1 TYR A 39 10.297 1.355 12.417 1.00 24.21 C ATOM 604 CD2 TYR A 39 10.142 0.426 10.225 1.00 53.04 C ATOM 605 CE1 TYR A 39 8.955 1.092 12.624 1.00 4.32 C ATOM 606 CE2 TYR A 39 8.804 0.161 10.425 1.00 53.01 C ATOM 607 CZ TYR A 39 8.215 0.495 11.624 1.00 1.11 C ATOM 608 OH TYR A 39 6.881 0.233 11.825 1.00 1.02 O ATOM 0 H TYR A 39 11.375 2.298 9.000 1.00 13.52 H new ATOM 0 HA TYR A 39 12.389 3.445 11.381 1.00 14.31 H new ATOM 0 HB2 TYR A 39 12.764 0.656 10.211 1.00 62.34 H new ATOM 0 HB3 TYR A 39 12.939 1.111 11.895 1.00 62.34 H new ATOM 0 HD1 TYR A 39 10.875 1.821 13.201 1.00 24.21 H new ATOM 0 HD2 TYR A 39 10.600 0.162 9.283 1.00 53.04 H new ATOM 0 HE1 TYR A 39 8.489 1.352 13.563 1.00 4.32 H new ATOM 0 HE2 TYR A 39 8.221 -0.306 9.645 1.00 53.01 H new ATOM 0 HH TYR A 39 6.452 0.040 10.965 1.00 1.02 H new ATOM 618 N LYS A 40 14.524 2.851 8.989 1.00 14.55 N ATOM 619 CA LYS A 40 15.914 3.102 8.624 1.00 22.03 C ATOM 620 C LYS A 40 16.015 4.375 7.796 1.00 60.12 C ATOM 621 O LYS A 40 17.085 4.710 7.281 1.00 74.42 O ATOM 622 CB LYS A 40 16.538 1.922 7.862 1.00 55.43 C ATOM 623 CG LYS A 40 15.870 1.623 6.534 1.00 71.55 C ATOM 624 CD LYS A 40 16.620 0.582 5.720 1.00 22.21 C ATOM 625 CE LYS A 40 18.011 1.061 5.323 1.00 20.32 C ATOM 626 NZ LYS A 40 18.663 0.119 4.394 1.00 23.52 N ATOM 0 H LYS A 40 13.913 2.585 8.217 1.00 14.55 H new ATOM 0 HA LYS A 40 16.477 3.223 9.549 1.00 22.03 H new ATOM 0 HB2 LYS A 40 17.593 2.133 7.687 1.00 55.43 H new ATOM 0 HB3 LYS A 40 16.491 1.032 8.489 1.00 55.43 H new ATOM 0 HG2 LYS A 40 14.853 1.274 6.714 1.00 71.55 H new ATOM 0 HG3 LYS A 40 15.793 2.544 5.956 1.00 71.55 H new ATOM 0 HD2 LYS A 40 16.705 -0.338 6.298 1.00 22.21 H new ATOM 0 HD3 LYS A 40 16.049 0.343 4.823 1.00 22.21 H new ATOM 0 HE2 LYS A 40 17.939 2.043 4.856 1.00 20.32 H new ATOM 0 HE3 LYS A 40 18.625 1.177 6.216 1.00 20.32 H new ATOM 0 HZ1 LYS A 40 19.258 0.648 3.724 1.00 23.52 H new ATOM 0 HZ2 LYS A 40 19.255 -0.546 4.932 1.00 23.52 H new ATOM 0 HZ3 LYS A 40 17.937 -0.410 3.870 1.00 23.52 H new ATOM 640 N SER A 41 14.882 5.061 7.675 1.00 32.23 N ATOM 641 CA SER A 41 14.761 6.338 6.980 1.00 43.25 C ATOM 642 C SER A 41 15.165 6.254 5.476 1.00 45.53 C ATOM 643 O SER A 41 15.562 7.263 4.876 1.00 44.25 O ATOM 644 CB SER A 41 15.572 7.424 7.737 1.00 33.24 C ATOM 645 OG SER A 41 15.391 8.712 7.176 1.00 72.24 O ATOM 0 H SER A 41 13.999 4.735 8.068 1.00 32.23 H new ATOM 0 HA SER A 41 13.708 6.618 6.980 1.00 43.25 H new ATOM 0 HB2 SER A 41 15.268 7.439 8.784 1.00 33.24 H new ATOM 0 HB3 SER A 41 16.631 7.166 7.716 1.00 33.24 H new ATOM 0 HG SER A 41 15.391 8.646 6.198 1.00 72.24 H new ATOM 651 N ASN A 42 15.005 5.084 4.861 1.00 2.30 N ATOM 652 CA ASN A 42 15.309 4.941 3.432 1.00 14.12 C ATOM 653 C ASN A 42 14.270 5.666 2.579 1.00 41.45 C ATOM 654 O ASN A 42 13.135 5.821 3.008 1.00 12.52 O ATOM 655 CB ASN A 42 15.467 3.469 2.951 1.00 13.23 C ATOM 656 CG ASN A 42 14.307 2.531 3.279 1.00 71.32 C ATOM 657 OD1 ASN A 42 13.171 2.942 3.508 1.00 42.53 O ATOM 658 ND2 ASN A 42 14.580 1.260 3.214 1.00 31.11 N ATOM 0 H ASN A 42 14.673 4.234 5.316 1.00 2.30 H new ATOM 0 HA ASN A 42 16.286 5.405 3.300 1.00 14.12 H new ATOM 0 HB2 ASN A 42 15.610 3.474 1.870 1.00 13.23 H new ATOM 0 HB3 ASN A 42 16.376 3.059 3.391 1.00 13.23 H new ATOM 0 HD21 ASN A 42 13.841 0.572 3.355 1.00 31.11 H new ATOM 0 HD22 ASN A 42 15.533 0.952 3.022 1.00 31.11 H new ATOM 665 N PRO A 43 14.677 6.235 1.414 1.00 73.25 N ATOM 666 CA PRO A 43 13.744 6.862 0.468 1.00 13.20 C ATOM 667 C PRO A 43 12.577 5.933 0.106 1.00 35.34 C ATOM 668 O PRO A 43 12.719 4.987 -0.669 1.00 51.40 O ATOM 669 CB PRO A 43 14.612 7.151 -0.757 1.00 22.05 C ATOM 670 CG PRO A 43 15.973 7.329 -0.195 1.00 44.24 C ATOM 671 CD PRO A 43 16.075 6.359 0.951 1.00 22.34 C ATOM 0 HA PRO A 43 13.276 7.754 0.884 1.00 13.20 H new ATOM 0 HB2 PRO A 43 14.579 6.329 -1.473 1.00 22.05 H new ATOM 0 HB3 PRO A 43 14.277 8.045 -1.283 1.00 22.05 H new ATOM 0 HG2 PRO A 43 16.736 7.127 -0.947 1.00 44.24 H new ATOM 0 HG3 PRO A 43 16.124 8.353 0.145 1.00 44.24 H new ATOM 0 HD2 PRO A 43 16.480 5.399 0.631 1.00 22.34 H new ATOM 0 HD3 PRO A 43 16.728 6.734 1.739 1.00 22.34 H new ATOM 679 N TYR A 44 11.467 6.181 0.752 1.00 44.31 N ATOM 680 CA TYR A 44 10.251 5.413 0.600 1.00 53.51 C ATOM 681 C TYR A 44 9.264 6.037 -0.361 1.00 33.20 C ATOM 682 O TYR A 44 8.241 5.455 -0.628 1.00 75.52 O ATOM 683 CB TYR A 44 9.587 5.106 1.955 1.00 45.41 C ATOM 684 CG TYR A 44 9.379 6.311 2.862 1.00 20.14 C ATOM 685 CD1 TYR A 44 8.258 7.127 2.748 1.00 50.24 C ATOM 686 CD2 TYR A 44 10.314 6.623 3.838 1.00 52.54 C ATOM 687 CE1 TYR A 44 8.086 8.216 3.581 1.00 44.13 C ATOM 688 CE2 TYR A 44 10.149 7.702 4.669 1.00 0.14 C ATOM 689 CZ TYR A 44 9.040 8.496 4.539 1.00 12.22 C ATOM 690 OH TYR A 44 8.879 9.566 5.377 1.00 52.14 O ATOM 0 H TYR A 44 11.378 6.947 1.420 1.00 44.31 H new ATOM 0 HA TYR A 44 10.560 4.467 0.156 1.00 53.51 H new ATOM 0 HB2 TYR A 44 8.620 4.639 1.770 1.00 45.41 H new ATOM 0 HB3 TYR A 44 10.198 4.374 2.484 1.00 45.41 H new ATOM 0 HD1 TYR A 44 7.512 6.906 1.999 1.00 50.24 H new ATOM 0 HD2 TYR A 44 11.191 6.003 3.946 1.00 52.54 H new ATOM 0 HE1 TYR A 44 7.212 8.843 3.483 1.00 44.13 H new ATOM 0 HE2 TYR A 44 10.890 7.925 5.422 1.00 0.14 H new ATOM 0 HH TYR A 44 8.052 9.457 5.891 1.00 52.14 H new ATOM 700 N ASP A 45 9.572 7.206 -0.879 1.00 65.31 N ATOM 701 CA ASP A 45 8.604 7.940 -1.702 1.00 31.24 C ATOM 702 C ASP A 45 8.548 7.391 -3.131 1.00 2.01 C ATOM 703 O ASP A 45 9.534 6.837 -3.646 1.00 14.33 O ATOM 704 CB ASP A 45 8.855 9.452 -1.679 1.00 55.12 C ATOM 705 CG ASP A 45 7.836 10.207 -2.520 1.00 4.04 C ATOM 706 OD1 ASP A 45 6.618 9.873 -2.427 1.00 25.10 O ATOM 707 OD2 ASP A 45 8.249 11.061 -3.309 1.00 52.01 O ATOM 0 H ASP A 45 10.470 7.673 -0.754 1.00 65.31 H new ATOM 0 HA ASP A 45 7.622 7.781 -1.257 1.00 31.24 H new ATOM 0 HB2 ASP A 45 8.815 9.811 -0.651 1.00 55.12 H new ATOM 0 HB3 ASP A 45 9.858 9.660 -2.051 1.00 55.12 H new ATOM 712 N ILE A 46 7.389 7.525 -3.725 1.00 72.22 N ATOM 713 CA ILE A 46 6.996 6.889 -4.972 1.00 35.51 C ATOM 714 C ILE A 46 7.814 7.372 -6.159 1.00 60.03 C ATOM 715 O ILE A 46 7.891 8.552 -6.438 1.00 43.30 O ATOM 716 CB ILE A 46 5.506 7.195 -5.239 1.00 24.52 C ATOM 717 CG1 ILE A 46 4.673 6.750 -4.043 1.00 25.11 C ATOM 718 CG2 ILE A 46 5.021 6.505 -6.513 1.00 35.00 C ATOM 719 CD1 ILE A 46 3.234 7.144 -4.134 1.00 31.44 C ATOM 0 H ILE A 46 6.650 8.111 -3.336 1.00 72.22 H new ATOM 0 HA ILE A 46 7.172 5.819 -4.864 1.00 35.51 H new ATOM 0 HB ILE A 46 5.391 8.270 -5.380 1.00 24.52 H new ATOM 0 HG12 ILE A 46 4.739 5.666 -3.949 1.00 25.11 H new ATOM 0 HG13 ILE A 46 5.100 7.175 -3.135 1.00 25.11 H new ATOM 0 HG21 ILE A 46 3.969 6.739 -6.675 1.00 35.00 H new ATOM 0 HG22 ILE A 46 5.606 6.857 -7.363 1.00 35.00 H new ATOM 0 HG23 ILE A 46 5.142 5.427 -6.411 1.00 35.00 H new ATOM 0 HD11 ILE A 46 2.704 6.794 -3.248 1.00 31.44 H new ATOM 0 HD12 ILE A 46 3.157 8.229 -4.197 1.00 31.44 H new ATOM 0 HD13 ILE A 46 2.790 6.697 -5.023 1.00 31.44 H new ATOM 731 N SER A 47 8.393 6.435 -6.878 1.00 20.41 N ATOM 732 CA SER A 47 9.172 6.780 -8.020 1.00 13.32 C ATOM 733 C SER A 47 8.332 6.622 -9.293 1.00 12.33 C ATOM 734 O SER A 47 8.559 7.325 -10.273 1.00 14.13 O ATOM 735 CB SER A 47 10.437 5.906 -8.078 1.00 54.23 C ATOM 736 OG SER A 47 11.273 6.259 -9.167 1.00 52.40 O ATOM 0 H SER A 47 8.332 5.436 -6.683 1.00 20.41 H new ATOM 0 HA SER A 47 9.483 7.822 -7.944 1.00 13.32 H new ATOM 0 HB2 SER A 47 10.992 6.009 -7.146 1.00 54.23 H new ATOM 0 HB3 SER A 47 10.151 4.858 -8.165 1.00 54.23 H new ATOM 0 HG SER A 47 12.066 5.684 -9.170 1.00 52.40 H new ATOM 742 N VAL A 48 7.360 5.695 -9.281 1.00 14.33 N ATOM 743 CA VAL A 48 6.459 5.532 -10.425 1.00 22.35 C ATOM 744 C VAL A 48 5.050 5.247 -9.903 1.00 44.41 C ATOM 745 O VAL A 48 4.869 4.378 -9.044 1.00 60.22 O ATOM 746 CB VAL A 48 6.869 4.320 -11.334 1.00 14.54 C ATOM 747 CG1 VAL A 48 6.049 4.308 -12.616 1.00 23.24 C ATOM 748 CG2 VAL A 48 8.361 4.302 -11.658 1.00 42.13 C ATOM 0 H VAL A 48 7.182 5.059 -8.504 1.00 14.33 H new ATOM 0 HA VAL A 48 6.508 6.449 -11.012 1.00 22.35 H new ATOM 0 HB VAL A 48 6.656 3.416 -10.763 1.00 14.54 H new ATOM 0 HG11 VAL A 48 6.349 3.460 -13.232 1.00 23.24 H new ATOM 0 HG12 VAL A 48 4.991 4.222 -12.370 1.00 23.24 H new ATOM 0 HG13 VAL A 48 6.219 5.234 -13.166 1.00 23.24 H new ATOM 0 HG21 VAL A 48 8.586 3.442 -12.289 1.00 42.13 H new ATOM 0 HG22 VAL A 48 8.630 5.218 -12.184 1.00 42.13 H new ATOM 0 HG23 VAL A 48 8.933 4.233 -10.733 1.00 42.13 H new ATOM 758 N ASN A 49 4.073 5.952 -10.404 1.00 53.31 N ATOM 759 CA ASN A 49 2.682 5.710 -10.048 1.00 44.25 C ATOM 760 C ASN A 49 1.903 5.290 -11.290 1.00 33.42 C ATOM 761 O ASN A 49 2.053 5.903 -12.341 1.00 33.11 O ATOM 762 CB ASN A 49 2.049 6.952 -9.358 1.00 51.41 C ATOM 763 CG ASN A 49 1.889 8.169 -10.264 1.00 34.12 C ATOM 764 OD1 ASN A 49 2.814 8.947 -10.441 1.00 30.10 O ATOM 765 ND2 ASN A 49 0.698 8.384 -10.773 1.00 74.14 N ATOM 0 H ASN A 49 4.208 6.712 -11.071 1.00 53.31 H new ATOM 0 HA ASN A 49 2.638 4.898 -9.323 1.00 44.25 H new ATOM 0 HB2 ASN A 49 1.070 6.675 -8.968 1.00 51.41 H new ATOM 0 HB3 ASN A 49 2.666 7.230 -8.503 1.00 51.41 H new ATOM 0 HD21 ASN A 49 0.526 9.219 -11.333 1.00 74.14 H new ATOM 0 HD22 ASN A 49 -0.055 7.716 -10.608 1.00 74.14 H new ATOM 772 N LYS A 50 1.120 4.223 -11.214 1.00 25.02 N ATOM 773 CA LYS A 50 0.289 3.842 -12.352 1.00 23.10 C ATOM 774 C LYS A 50 -1.050 3.362 -11.866 1.00 65.23 C ATOM 775 O LYS A 50 -1.150 2.762 -10.799 1.00 65.45 O ATOM 776 CB LYS A 50 0.883 2.686 -13.213 1.00 21.34 C ATOM 777 CG LYS A 50 2.363 2.770 -13.554 1.00 74.31 C ATOM 778 CD LYS A 50 3.232 2.030 -12.528 1.00 11.41 C ATOM 779 CE LYS A 50 3.257 0.497 -12.728 1.00 31.25 C ATOM 780 NZ LYS A 50 1.926 -0.176 -12.612 1.00 51.32 N ATOM 0 H LYS A 50 1.041 3.617 -10.397 1.00 25.02 H new ATOM 0 HA LYS A 50 0.222 4.738 -12.969 1.00 23.10 H new ATOM 0 HB2 LYS A 50 0.709 1.748 -12.686 1.00 21.34 H new ATOM 0 HB3 LYS A 50 0.322 2.636 -14.146 1.00 21.34 H new ATOM 0 HG2 LYS A 50 2.531 2.347 -14.544 1.00 74.31 H new ATOM 0 HG3 LYS A 50 2.666 3.816 -13.599 1.00 74.31 H new ATOM 0 HD2 LYS A 50 4.251 2.412 -12.585 1.00 11.41 H new ATOM 0 HD3 LYS A 50 2.864 2.251 -11.526 1.00 11.41 H new ATOM 0 HE2 LYS A 50 3.673 0.281 -13.712 1.00 31.25 H new ATOM 0 HE3 LYS A 50 3.934 0.061 -11.993 1.00 31.25 H new ATOM 0 HZ1 LYS A 50 2.060 -1.207 -12.573 1.00 51.32 H new ATOM 0 HZ2 LYS A 50 1.450 0.144 -11.745 1.00 51.32 H new ATOM 0 HZ3 LYS A 50 1.341 0.066 -13.437 1.00 51.32 H new ATOM 794 N ASN A 51 -2.065 3.639 -12.618 1.00 3.32 N ATOM 795 CA ASN A 51 -3.349 3.043 -12.376 1.00 2.24 C ATOM 796 C ASN A 51 -3.553 2.057 -13.471 1.00 23.54 C ATOM 797 O ASN A 51 -3.471 2.409 -14.636 1.00 2.21 O ATOM 798 CB ASN A 51 -4.499 4.061 -12.320 1.00 53.53 C ATOM 799 CG ASN A 51 -4.383 5.018 -11.152 1.00 42.42 C ATOM 800 OD1 ASN A 51 -3.837 4.681 -10.120 1.00 2.11 O ATOM 801 ND2 ASN A 51 -4.906 6.213 -11.301 1.00 62.34 N ATOM 0 H ASN A 51 -2.034 4.278 -13.412 1.00 3.32 H new ATOM 0 HA ASN A 51 -3.359 2.573 -11.392 1.00 2.24 H new ATOM 0 HB2 ASN A 51 -4.519 4.631 -13.249 1.00 53.53 H new ATOM 0 HB3 ASN A 51 -5.447 3.527 -12.253 1.00 53.53 H new ATOM 0 HD21 ASN A 51 -4.861 6.888 -10.538 1.00 62.34 H new ATOM 0 HD22 ASN A 51 -5.358 6.466 -12.180 1.00 62.34 H new ATOM 808 N ASN A 52 -3.800 0.834 -13.117 1.00 25.13 N ATOM 809 CA ASN A 52 -3.866 -0.247 -14.089 1.00 13.40 C ATOM 810 C ASN A 52 -5.318 -0.484 -14.531 1.00 42.30 C ATOM 811 O ASN A 52 -5.653 -1.511 -15.103 1.00 11.44 O ATOM 812 CB ASN A 52 -3.243 -1.547 -13.515 1.00 43.21 C ATOM 813 CG ASN A 52 -1.767 -1.425 -13.059 1.00 53.54 C ATOM 814 OD1 ASN A 52 -0.980 -0.600 -13.572 1.00 34.54 O ATOM 815 ND2 ASN A 52 -1.382 -2.249 -12.105 1.00 22.04 N ATOM 0 H ASN A 52 -3.963 0.543 -12.153 1.00 25.13 H new ATOM 0 HA ASN A 52 -3.285 0.044 -14.964 1.00 13.40 H new ATOM 0 HB2 ASN A 52 -3.843 -1.875 -12.666 1.00 43.21 H new ATOM 0 HB3 ASN A 52 -3.309 -2.328 -14.272 1.00 43.21 H new ATOM 0 HD21 ASN A 52 -0.420 -2.224 -11.767 1.00 22.04 H new ATOM 0 HD22 ASN A 52 -2.046 -2.912 -11.705 1.00 22.04 H new ATOM 822 N GLY A 53 -6.175 0.474 -14.232 1.00 61.24 N ATOM 823 CA GLY A 53 -7.548 0.434 -14.675 1.00 60.33 C ATOM 824 C GLY A 53 -8.475 0.043 -13.566 1.00 50.31 C ATOM 825 O GLY A 53 -9.200 0.865 -13.028 1.00 31.52 O ATOM 0 H GLY A 53 -5.937 1.296 -13.678 1.00 61.24 H new ATOM 0 HA2 GLY A 53 -7.835 1.412 -15.061 1.00 60.33 H new ATOM 0 HA3 GLY A 53 -7.645 -0.275 -15.498 1.00 60.33 H new ATOM 829 N THR A 54 -8.422 -1.195 -13.205 1.00 72.22 N ATOM 830 CA THR A 54 -9.247 -1.714 -12.139 1.00 21.43 C ATOM 831 C THR A 54 -8.356 -2.063 -10.963 1.00 44.30 C ATOM 832 O THR A 54 -8.791 -2.658 -9.956 1.00 1.30 O ATOM 833 CB THR A 54 -10.094 -2.942 -12.605 1.00 41.02 C ATOM 834 OG1 THR A 54 -10.893 -3.441 -11.516 1.00 24.13 O ATOM 835 CG2 THR A 54 -9.209 -4.064 -13.147 1.00 0.25 C ATOM 0 H THR A 54 -7.807 -1.886 -13.635 1.00 72.22 H new ATOM 0 HA THR A 54 -9.964 -0.951 -11.836 1.00 21.43 H new ATOM 0 HB THR A 54 -10.745 -2.603 -13.410 1.00 41.02 H new ATOM 0 HG1 THR A 54 -10.402 -3.335 -10.675 1.00 24.13 H new ATOM 0 HG21 THR A 54 -9.833 -4.900 -13.461 1.00 0.25 H new ATOM 0 HG22 THR A 54 -8.638 -3.697 -14.000 1.00 0.25 H new ATOM 0 HG23 THR A 54 -8.524 -4.396 -12.367 1.00 0.25 H new ATOM 843 N ASP A 55 -7.134 -1.648 -11.093 1.00 1.21 N ATOM 844 CA ASP A 55 -6.114 -1.835 -10.119 1.00 4.13 C ATOM 845 C ASP A 55 -5.313 -0.572 -10.084 1.00 32.01 C ATOM 846 O ASP A 55 -5.389 0.239 -11.015 1.00 11.52 O ATOM 847 CB ASP A 55 -5.180 -3.020 -10.461 1.00 42.01 C ATOM 848 CG ASP A 55 -5.812 -4.398 -10.337 1.00 1.25 C ATOM 849 OD1 ASP A 55 -6.597 -4.816 -11.211 1.00 44.13 O ATOM 850 OD2 ASP A 55 -5.524 -5.111 -9.369 1.00 4.51 O ATOM 0 H ASP A 55 -6.810 -1.147 -11.920 1.00 1.21 H new ATOM 0 HA ASP A 55 -6.574 -2.064 -9.158 1.00 4.13 H new ATOM 0 HB2 ASP A 55 -4.818 -2.894 -11.481 1.00 42.01 H new ATOM 0 HB3 ASP A 55 -4.309 -2.977 -9.806 1.00 42.01 H new ATOM 855 N ALA A 56 -4.569 -0.397 -9.064 1.00 33.54 N ATOM 856 CA ALA A 56 -3.733 0.770 -8.893 1.00 50.20 C ATOM 857 C ALA A 56 -2.448 0.331 -8.276 1.00 31.12 C ATOM 858 O ALA A 56 -2.445 -0.601 -7.472 1.00 42.32 O ATOM 859 CB ALA A 56 -4.417 1.817 -8.042 1.00 43.12 C ATOM 0 H ALA A 56 -4.507 -1.064 -8.295 1.00 33.54 H new ATOM 0 HA ALA A 56 -3.542 1.232 -9.862 1.00 50.20 H new ATOM 0 HB1 ALA A 56 -3.762 2.682 -7.933 1.00 43.12 H new ATOM 0 HB2 ALA A 56 -5.347 2.124 -8.521 1.00 43.12 H new ATOM 0 HB3 ALA A 56 -4.636 1.401 -7.059 1.00 43.12 H new ATOM 865 N GLU A 57 -1.364 0.960 -8.646 1.00 50.43 N ATOM 866 CA GLU A 57 -0.078 0.494 -8.230 1.00 13.22 C ATOM 867 C GLU A 57 0.909 1.659 -8.109 1.00 25.04 C ATOM 868 O GLU A 57 1.157 2.385 -9.084 1.00 34.31 O ATOM 869 CB GLU A 57 0.389 -0.441 -9.316 1.00 52.24 C ATOM 870 CG GLU A 57 1.592 -1.290 -9.026 1.00 63.53 C ATOM 871 CD GLU A 57 2.039 -1.931 -10.299 1.00 65.44 C ATOM 872 OE1 GLU A 57 1.163 -2.384 -11.081 1.00 2.14 O ATOM 873 OE2 GLU A 57 3.210 -1.845 -10.630 1.00 72.20 O ATOM 0 H GLU A 57 -1.351 1.794 -9.233 1.00 50.43 H new ATOM 0 HA GLU A 57 -0.135 0.007 -7.256 1.00 13.22 H new ATOM 0 HB2 GLU A 57 -0.438 -1.104 -9.568 1.00 52.24 H new ATOM 0 HB3 GLU A 57 0.603 0.154 -10.204 1.00 52.24 H new ATOM 0 HG2 GLU A 57 2.393 -0.681 -8.607 1.00 63.53 H new ATOM 0 HG3 GLU A 57 1.349 -2.051 -8.284 1.00 63.53 H new ATOM 880 N ILE A 58 1.451 1.850 -6.938 1.00 70.20 N ATOM 881 CA ILE A 58 2.478 2.814 -6.728 1.00 43.14 C ATOM 882 C ILE A 58 3.768 2.110 -6.366 1.00 34.14 C ATOM 883 O ILE A 58 3.785 1.261 -5.460 1.00 21.20 O ATOM 884 CB ILE A 58 2.143 3.914 -5.682 1.00 75.42 C ATOM 885 CG1 ILE A 58 1.502 3.388 -4.360 1.00 11.51 C ATOM 886 CG2 ILE A 58 1.326 5.034 -6.303 1.00 23.25 C ATOM 887 CD1 ILE A 58 -0.001 3.144 -4.408 1.00 71.52 C ATOM 0 H ILE A 58 1.185 1.333 -6.100 1.00 70.20 H new ATOM 0 HA ILE A 58 2.582 3.350 -7.671 1.00 43.14 H new ATOM 0 HB ILE A 58 3.107 4.318 -5.374 1.00 75.42 H new ATOM 0 HG12 ILE A 58 1.995 2.455 -4.085 1.00 11.51 H new ATOM 0 HG13 ILE A 58 1.710 4.105 -3.566 1.00 11.51 H new ATOM 0 HG21 ILE A 58 1.108 5.788 -5.546 1.00 23.25 H new ATOM 0 HG22 ILE A 58 1.892 5.489 -7.116 1.00 23.25 H new ATOM 0 HG23 ILE A 58 0.392 4.630 -6.693 1.00 23.25 H new ATOM 0 HD11 ILE A 58 -0.342 2.781 -3.439 1.00 71.52 H new ATOM 0 HD12 ILE A 58 -0.513 4.076 -4.647 1.00 71.52 H new ATOM 0 HD13 ILE A 58 -0.225 2.401 -5.173 1.00 71.52 H new ATOM 899 N VAL A 59 4.829 2.430 -7.088 1.00 42.53 N ATOM 900 CA VAL A 59 6.097 1.761 -6.918 1.00 42.44 C ATOM 901 C VAL A 59 7.175 2.741 -6.442 1.00 31.03 C ATOM 902 O VAL A 59 7.407 3.792 -7.060 1.00 73.52 O ATOM 903 CB VAL A 59 6.578 1.120 -8.256 1.00 60.33 C ATOM 904 CG1 VAL A 59 7.816 0.254 -8.047 1.00 2.20 C ATOM 905 CG2 VAL A 59 5.465 0.324 -8.934 1.00 13.34 C ATOM 0 H VAL A 59 4.831 3.157 -7.803 1.00 42.53 H new ATOM 0 HA VAL A 59 5.947 0.983 -6.170 1.00 42.44 H new ATOM 0 HB VAL A 59 6.850 1.939 -8.922 1.00 60.33 H new ATOM 0 HG11 VAL A 59 8.124 -0.177 -9.000 1.00 2.20 H new ATOM 0 HG12 VAL A 59 8.625 0.866 -7.647 1.00 2.20 H new ATOM 0 HG13 VAL A 59 7.586 -0.547 -7.344 1.00 2.20 H new ATOM 0 HG21 VAL A 59 5.840 -0.107 -9.863 1.00 13.34 H new ATOM 0 HG22 VAL A 59 5.134 -0.475 -8.271 1.00 13.34 H new ATOM 0 HG23 VAL A 59 4.626 0.985 -9.153 1.00 13.34 H new ATOM 915 N SER A 60 7.783 2.415 -5.348 1.00 44.55 N ATOM 916 CA SER A 60 8.917 3.127 -4.836 1.00 22.21 C ATOM 917 C SER A 60 10.095 2.152 -4.790 1.00 63.45 C ATOM 918 O SER A 60 9.886 0.938 -4.857 1.00 2.43 O ATOM 919 CB SER A 60 8.626 3.685 -3.430 1.00 2.33 C ATOM 920 OG SER A 60 9.768 4.314 -2.899 1.00 3.43 O ATOM 0 H SER A 60 7.500 1.626 -4.767 1.00 44.55 H new ATOM 0 HA SER A 60 9.148 3.976 -5.480 1.00 22.21 H new ATOM 0 HB2 SER A 60 7.802 4.397 -3.479 1.00 2.33 H new ATOM 0 HB3 SER A 60 8.310 2.877 -2.771 1.00 2.33 H new ATOM 0 HG SER A 60 9.878 5.195 -3.313 1.00 3.43 H new ATOM 926 N ALA A 61 11.295 2.668 -4.678 1.00 21.35 N ATOM 927 CA ALA A 61 12.495 1.872 -4.615 1.00 61.44 C ATOM 928 C ALA A 61 13.504 2.624 -3.783 1.00 70.30 C ATOM 929 O ALA A 61 13.632 3.842 -3.926 1.00 64.13 O ATOM 930 CB ALA A 61 13.047 1.619 -6.016 1.00 23.54 C ATOM 0 H ALA A 61 11.467 3.672 -4.627 1.00 21.35 H new ATOM 0 HA ALA A 61 12.278 0.903 -4.166 1.00 61.44 H new ATOM 0 HB1 ALA A 61 13.953 1.017 -5.947 1.00 23.54 H new ATOM 0 HB2 ALA A 61 12.303 1.089 -6.610 1.00 23.54 H new ATOM 0 HB3 ALA A 61 13.280 2.571 -6.493 1.00 23.54 H new ATOM 936 N SER A 62 14.178 1.934 -2.911 1.00 53.12 N ATOM 937 CA SER A 62 15.145 2.555 -2.057 1.00 1.03 C ATOM 938 C SER A 62 16.564 2.339 -2.598 1.00 33.31 C ATOM 939 O SER A 62 16.852 1.318 -3.216 1.00 21.32 O ATOM 940 CB SER A 62 14.990 2.004 -0.649 1.00 22.21 C ATOM 941 OG SER A 62 13.662 2.221 -0.181 1.00 25.21 O ATOM 0 H SER A 62 14.073 0.929 -2.772 1.00 53.12 H new ATOM 0 HA SER A 62 14.975 3.631 -2.031 1.00 1.03 H new ATOM 0 HB2 SER A 62 15.217 0.938 -0.640 1.00 22.21 H new ATOM 0 HB3 SER A 62 15.703 2.487 0.019 1.00 22.21 H new ATOM 0 HG SER A 62 13.404 3.151 -0.349 1.00 25.21 H new ATOM 947 N ASP A 63 17.431 3.298 -2.357 1.00 34.15 N ATOM 948 CA ASP A 63 18.812 3.278 -2.847 1.00 31.14 C ATOM 949 C ASP A 63 19.697 2.481 -1.895 1.00 0.43 C ATOM 950 O ASP A 63 20.648 1.824 -2.310 1.00 34.51 O ATOM 951 CB ASP A 63 19.334 4.725 -2.924 1.00 34.14 C ATOM 952 CG ASP A 63 19.397 5.385 -1.549 1.00 12.45 C ATOM 953 OD1 ASP A 63 18.389 5.268 -0.784 1.00 62.03 O ATOM 954 OD2 ASP A 63 20.413 5.991 -1.219 1.00 33.23 O ATOM 0 H ASP A 63 17.204 4.128 -1.810 1.00 34.15 H new ATOM 0 HA ASP A 63 18.837 2.812 -3.832 1.00 31.14 H new ATOM 0 HB2 ASP A 63 20.327 4.729 -3.374 1.00 34.14 H new ATOM 0 HB3 ASP A 63 18.686 5.310 -3.577 1.00 34.14 H new ATOM 959 N SER A 64 19.346 2.512 -0.622 1.00 55.34 N ATOM 960 CA SER A 64 20.076 1.796 0.390 1.00 63.40 C ATOM 961 C SER A 64 19.742 0.313 0.329 1.00 54.32 C ATOM 962 O SER A 64 20.520 -0.534 0.774 1.00 44.11 O ATOM 963 CB SER A 64 19.749 2.372 1.790 1.00 53.44 C ATOM 964 OG SER A 64 20.451 1.681 2.838 1.00 25.53 O ATOM 0 H SER A 64 18.546 3.036 -0.268 1.00 55.34 H new ATOM 0 HA SER A 64 21.144 1.916 0.207 1.00 63.40 H new ATOM 0 HB2 SER A 64 20.010 3.430 1.816 1.00 53.44 H new ATOM 0 HB3 SER A 64 18.676 2.304 1.968 1.00 53.44 H new ATOM 0 HG SER A 64 20.482 2.246 3.638 1.00 25.53 H new ATOM 970 N ASP A 65 18.595 0.005 -0.227 1.00 2.41 N ATOM 971 CA ASP A 65 18.137 -1.352 -0.294 1.00 54.24 C ATOM 972 C ASP A 65 17.773 -1.662 -1.713 1.00 51.11 C ATOM 973 O ASP A 65 16.659 -1.412 -2.135 1.00 54.41 O ATOM 974 CB ASP A 65 16.918 -1.566 0.614 1.00 33.43 C ATOM 975 CG ASP A 65 17.175 -1.185 2.048 1.00 35.23 C ATOM 976 OD1 ASP A 65 17.647 -2.029 2.839 1.00 55.21 O ATOM 977 OD2 ASP A 65 16.953 0.001 2.413 1.00 73.33 O ATOM 0 H ASP A 65 17.960 0.687 -0.642 1.00 2.41 H new ATOM 0 HA ASP A 65 18.931 -2.016 0.048 1.00 54.24 H new ATOM 0 HB2 ASP A 65 16.081 -0.980 0.233 1.00 33.43 H new ATOM 0 HB3 ASP A 65 16.620 -2.613 0.571 1.00 33.43 H new ATOM 982 N SER A 66 18.705 -2.232 -2.438 1.00 23.22 N ATOM 983 CA SER A 66 18.542 -2.503 -3.863 1.00 23.20 C ATOM 984 C SER A 66 17.394 -3.487 -4.157 1.00 15.23 C ATOM 985 O SER A 66 16.861 -3.512 -5.257 1.00 1.13 O ATOM 986 CB SER A 66 19.872 -3.011 -4.454 1.00 44.25 C ATOM 987 OG SER A 66 19.776 -3.261 -5.846 1.00 44.13 O ATOM 0 H SER A 66 19.607 -2.526 -2.062 1.00 23.22 H new ATOM 0 HA SER A 66 18.267 -1.565 -4.345 1.00 23.20 H new ATOM 0 HB2 SER A 66 20.654 -2.274 -4.272 1.00 44.25 H new ATOM 0 HB3 SER A 66 20.170 -3.926 -3.942 1.00 44.25 H new ATOM 0 HG SER A 66 20.640 -3.580 -6.181 1.00 44.13 H new ATOM 993 N THR A 67 17.014 -4.279 -3.186 1.00 2.45 N ATOM 994 CA THR A 67 15.971 -5.241 -3.401 1.00 71.05 C ATOM 995 C THR A 67 14.642 -4.760 -2.779 1.00 40.52 C ATOM 996 O THR A 67 13.557 -5.336 -3.039 1.00 72.24 O ATOM 997 CB THR A 67 16.388 -6.656 -2.866 1.00 70.33 C ATOM 998 OG1 THR A 67 15.381 -7.638 -3.145 1.00 20.43 O ATOM 999 CG2 THR A 67 16.669 -6.629 -1.370 1.00 60.31 C ATOM 0 H THR A 67 17.410 -4.275 -2.246 1.00 2.45 H new ATOM 0 HA THR A 67 15.812 -5.337 -4.475 1.00 71.05 H new ATOM 0 HB THR A 67 17.304 -6.930 -3.389 1.00 70.33 H new ATOM 0 HG1 THR A 67 14.520 -7.192 -3.288 1.00 20.43 H new ATOM 0 HG21 THR A 67 16.955 -7.626 -1.035 1.00 60.31 H new ATOM 0 HG22 THR A 67 17.481 -5.931 -1.165 1.00 60.31 H new ATOM 0 HG23 THR A 67 15.773 -6.310 -0.837 1.00 60.31 H new ATOM 1007 N ASP A 68 14.686 -3.665 -2.020 1.00 64.35 N ATOM 1008 CA ASP A 68 13.480 -3.239 -1.349 1.00 41.14 C ATOM 1009 C ASP A 68 12.806 -2.166 -2.121 1.00 13.04 C ATOM 1010 O ASP A 68 13.424 -1.207 -2.593 1.00 64.11 O ATOM 1011 CB ASP A 68 13.672 -2.830 0.105 1.00 21.23 C ATOM 1012 CG ASP A 68 12.371 -2.991 0.895 1.00 4.25 C ATOM 1013 OD1 ASP A 68 11.437 -2.194 0.708 1.00 51.54 O ATOM 1014 OD2 ASP A 68 12.270 -3.969 1.687 1.00 31.50 O ATOM 0 H ASP A 68 15.510 -3.085 -1.864 1.00 64.35 H new ATOM 0 HA ASP A 68 12.839 -4.120 -1.311 1.00 41.14 H new ATOM 0 HB2 ASP A 68 14.455 -3.439 0.558 1.00 21.23 H new ATOM 0 HB3 ASP A 68 14.006 -1.794 0.154 1.00 21.23 H new ATOM 1019 N SER A 69 11.566 -2.373 -2.294 1.00 12.50 N ATOM 1020 CA SER A 69 10.736 -1.538 -3.037 1.00 41.44 C ATOM 1021 C SER A 69 9.368 -1.561 -2.417 1.00 54.41 C ATOM 1022 O SER A 69 8.859 -2.637 -2.060 1.00 62.12 O ATOM 1023 CB SER A 69 10.725 -2.036 -4.491 1.00 14.44 C ATOM 1024 OG SER A 69 11.077 -3.431 -4.544 1.00 24.35 O ATOM 0 H SER A 69 11.079 -3.177 -1.897 1.00 12.50 H new ATOM 0 HA SER A 69 11.089 -0.507 -3.037 1.00 41.44 H new ATOM 0 HB2 SER A 69 9.737 -1.886 -4.926 1.00 14.44 H new ATOM 0 HB3 SER A 69 11.427 -1.454 -5.087 1.00 14.44 H new ATOM 0 HG SER A 69 10.514 -3.886 -5.204 1.00 24.35 H new ATOM 1030 N LEU A 70 8.782 -0.415 -2.256 1.00 63.41 N ATOM 1031 CA LEU A 70 7.458 -0.342 -1.748 1.00 33.11 C ATOM 1032 C LEU A 70 6.578 -0.343 -2.955 1.00 52.11 C ATOM 1033 O LEU A 70 6.603 0.579 -3.756 1.00 3.42 O ATOM 1034 CB LEU A 70 7.275 0.944 -0.865 1.00 71.54 C ATOM 1035 CG LEU A 70 5.885 1.241 -0.199 1.00 23.52 C ATOM 1036 CD1 LEU A 70 4.819 1.657 -1.208 1.00 63.32 C ATOM 1037 CD2 LEU A 70 5.401 0.059 0.628 1.00 10.50 C ATOM 0 H LEU A 70 9.208 0.486 -2.473 1.00 63.41 H new ATOM 0 HA LEU A 70 7.211 -1.176 -1.091 1.00 33.11 H new ATOM 0 HB2 LEU A 70 8.015 0.898 -0.066 1.00 71.54 H new ATOM 0 HB3 LEU A 70 7.529 1.803 -1.486 1.00 71.54 H new ATOM 0 HG LEU A 70 6.046 2.090 0.465 1.00 23.52 H new ATOM 0 HD11 LEU A 70 3.881 1.849 -0.688 1.00 63.32 H new ATOM 0 HD12 LEU A 70 5.140 2.562 -1.724 1.00 63.32 H new ATOM 0 HD13 LEU A 70 4.674 0.858 -1.935 1.00 63.32 H new ATOM 0 HD21 LEU A 70 4.436 0.298 1.075 1.00 10.50 H new ATOM 0 HD22 LEU A 70 5.297 -0.816 -0.014 1.00 10.50 H new ATOM 0 HD23 LEU A 70 6.123 -0.154 1.416 1.00 10.50 H new ATOM 1049 N GLN A 71 5.868 -1.398 -3.107 1.00 23.34 N ATOM 1050 CA GLN A 71 5.009 -1.574 -4.216 1.00 43.52 C ATOM 1051 C GLN A 71 3.677 -1.945 -3.658 1.00 55.03 C ATOM 1052 O GLN A 71 3.557 -2.963 -2.965 1.00 5.34 O ATOM 1053 CB GLN A 71 5.539 -2.715 -5.080 1.00 44.14 C ATOM 1054 CG GLN A 71 4.878 -2.855 -6.435 1.00 32.22 C ATOM 1055 CD GLN A 71 5.330 -4.106 -7.151 1.00 44.15 C ATOM 1056 OE1 GLN A 71 6.329 -4.112 -7.854 1.00 2.33 O ATOM 1057 NE2 GLN A 71 4.587 -5.173 -6.993 1.00 3.11 N ATOM 0 H GLN A 71 5.868 -2.179 -2.451 1.00 23.34 H new ATOM 0 HA GLN A 71 4.945 -0.674 -4.828 1.00 43.52 H new ATOM 0 HB2 GLN A 71 6.609 -2.571 -5.228 1.00 44.14 H new ATOM 0 HB3 GLN A 71 5.416 -3.651 -4.535 1.00 44.14 H new ATOM 0 HG2 GLN A 71 3.795 -2.878 -6.311 1.00 32.22 H new ATOM 0 HG3 GLN A 71 5.111 -1.982 -7.045 1.00 32.22 H new ATOM 0 HE21 GLN A 71 3.759 -5.134 -6.399 1.00 3.11 H new ATOM 0 HE22 GLN A 71 4.837 -6.043 -7.464 1.00 3.11 H new ATOM 1066 N VAL A 72 2.706 -1.121 -3.885 1.00 71.53 N ATOM 1067 CA VAL A 72 1.385 -1.397 -3.411 1.00 33.24 C ATOM 1068 C VAL A 72 0.490 -1.600 -4.599 1.00 1.11 C ATOM 1069 O VAL A 72 0.388 -0.723 -5.454 1.00 45.11 O ATOM 1070 CB VAL A 72 0.824 -0.234 -2.538 1.00 52.20 C ATOM 1071 CG1 VAL A 72 -0.593 -0.533 -2.056 1.00 21.42 C ATOM 1072 CG2 VAL A 72 1.720 0.031 -1.350 1.00 5.13 C ATOM 0 H VAL A 72 2.802 -0.245 -4.399 1.00 71.53 H new ATOM 0 HA VAL A 72 1.421 -2.290 -2.786 1.00 33.24 H new ATOM 0 HB VAL A 72 0.796 0.656 -3.167 1.00 52.20 H new ATOM 0 HG11 VAL A 72 -0.954 0.298 -1.450 1.00 21.42 H new ATOM 0 HG12 VAL A 72 -1.249 -0.667 -2.916 1.00 21.42 H new ATOM 0 HG13 VAL A 72 -0.589 -1.444 -1.457 1.00 21.42 H new ATOM 0 HG21 VAL A 72 1.306 0.847 -0.757 1.00 5.13 H new ATOM 0 HG22 VAL A 72 1.785 -0.867 -0.736 1.00 5.13 H new ATOM 0 HG23 VAL A 72 2.716 0.305 -1.699 1.00 5.13 H new ATOM 1082 N ALA A 73 -0.133 -2.739 -4.649 1.00 41.40 N ATOM 1083 CA ALA A 73 -1.066 -3.058 -5.688 1.00 31.31 C ATOM 1084 C ALA A 73 -2.434 -3.153 -5.076 1.00 62.00 C ATOM 1085 O ALA A 73 -2.623 -3.841 -4.065 1.00 23.45 O ATOM 1086 CB ALA A 73 -0.685 -4.362 -6.375 1.00 2.12 C ATOM 0 H ALA A 73 -0.006 -3.482 -3.961 1.00 41.40 H new ATOM 0 HA ALA A 73 -1.056 -2.279 -6.450 1.00 31.31 H new ATOM 0 HB1 ALA A 73 -1.408 -4.584 -7.160 1.00 2.12 H new ATOM 0 HB2 ALA A 73 0.309 -4.266 -6.813 1.00 2.12 H new ATOM 0 HB3 ALA A 73 -0.683 -5.171 -5.645 1.00 2.12 H new ATOM 1092 N MET A 74 -3.354 -2.433 -5.631 1.00 4.44 N ATOM 1093 CA MET A 74 -4.707 -2.386 -5.133 1.00 5.41 C ATOM 1094 C MET A 74 -5.615 -2.885 -6.200 1.00 55.01 C ATOM 1095 O MET A 74 -5.491 -2.469 -7.331 1.00 1.30 O ATOM 1096 CB MET A 74 -5.112 -0.951 -4.843 1.00 13.45 C ATOM 1097 CG MET A 74 -4.138 -0.184 -4.008 1.00 51.24 C ATOM 1098 SD MET A 74 -4.631 1.519 -3.797 1.00 55.32 S ATOM 1099 CE MET A 74 -3.196 2.118 -2.961 1.00 32.32 C ATOM 0 H MET A 74 -3.194 -1.851 -6.453 1.00 4.44 H new ATOM 0 HA MET A 74 -4.770 -2.986 -4.225 1.00 5.41 H new ATOM 0 HB2 MET A 74 -5.249 -0.428 -5.790 1.00 13.45 H new ATOM 0 HB3 MET A 74 -6.078 -0.955 -4.338 1.00 13.45 H new ATOM 0 HG2 MET A 74 -4.046 -0.658 -3.031 1.00 51.24 H new ATOM 0 HG3 MET A 74 -3.153 -0.221 -4.474 1.00 51.24 H new ATOM 0 HE1 MET A 74 -3.175 3.207 -3.008 1.00 32.32 H new ATOM 0 HE2 MET A 74 -3.223 1.801 -1.919 1.00 32.32 H new ATOM 0 HE3 MET A 74 -2.302 1.717 -3.439 1.00 32.32 H new ATOM 1109 N LYS A 75 -6.518 -3.743 -5.853 1.00 51.41 N ATOM 1110 CA LYS A 75 -7.476 -4.237 -6.785 1.00 25.42 C ATOM 1111 C LYS A 75 -8.860 -3.813 -6.344 1.00 14.42 C ATOM 1112 O LYS A 75 -9.223 -3.978 -5.172 1.00 72.53 O ATOM 1113 CB LYS A 75 -7.360 -5.756 -6.890 1.00 53.43 C ATOM 1114 CG LYS A 75 -8.388 -6.390 -7.798 1.00 14.24 C ATOM 1115 CD LYS A 75 -8.114 -7.861 -8.043 1.00 3.31 C ATOM 1116 CE LYS A 75 -6.782 -8.101 -8.762 1.00 4.11 C ATOM 1117 NZ LYS A 75 -6.675 -7.342 -10.037 1.00 44.13 N ATOM 0 H LYS A 75 -6.612 -4.122 -4.911 1.00 51.41 H new ATOM 0 HA LYS A 75 -7.288 -3.822 -7.775 1.00 25.42 H new ATOM 0 HB2 LYS A 75 -6.364 -6.010 -7.253 1.00 53.43 H new ATOM 0 HB3 LYS A 75 -7.455 -6.187 -5.893 1.00 53.43 H new ATOM 0 HG2 LYS A 75 -9.378 -6.276 -7.357 1.00 14.24 H new ATOM 0 HG3 LYS A 75 -8.402 -5.862 -8.751 1.00 14.24 H new ATOM 0 HD2 LYS A 75 -8.108 -8.389 -7.090 1.00 3.31 H new ATOM 0 HD3 LYS A 75 -8.924 -8.284 -8.637 1.00 3.31 H new ATOM 0 HE2 LYS A 75 -5.961 -7.816 -8.104 1.00 4.11 H new ATOM 0 HE3 LYS A 75 -6.671 -9.166 -8.967 1.00 4.11 H new ATOM 0 HZ1 LYS A 75 -6.413 -7.991 -10.806 1.00 44.13 H new ATOM 0 HZ2 LYS A 75 -7.590 -6.899 -10.255 1.00 44.13 H new ATOM 0 HZ3 LYS A 75 -5.947 -6.605 -9.942 1.00 44.13 H new ATOM 1131 N LYS A 76 -9.613 -3.257 -7.271 1.00 21.41 N ATOM 1132 CA LYS A 76 -10.909 -2.725 -7.009 1.00 60.53 C ATOM 1133 C LYS A 76 -11.955 -3.834 -7.004 1.00 72.14 C ATOM 1134 O LYS A 76 -12.231 -4.439 -8.061 1.00 61.25 O ATOM 1135 CB LYS A 76 -11.266 -1.778 -8.138 1.00 74.41 C ATOM 1136 CG LYS A 76 -12.543 -1.002 -7.919 1.00 42.01 C ATOM 1137 CD LYS A 76 -13.193 -0.624 -9.234 1.00 11.24 C ATOM 1138 CE LYS A 76 -13.996 -1.794 -9.819 1.00 2.44 C ATOM 1139 NZ LYS A 76 -13.190 -2.993 -10.209 1.00 42.45 N ATOM 0 H LYS A 76 -9.323 -3.167 -8.245 1.00 21.41 H new ATOM 0 HA LYS A 76 -10.896 -2.226 -6.040 1.00 60.53 H new ATOM 0 HB2 LYS A 76 -10.446 -1.073 -8.278 1.00 74.41 H new ATOM 0 HB3 LYS A 76 -11.356 -2.350 -9.061 1.00 74.41 H new ATOM 0 HG2 LYS A 76 -13.237 -1.599 -7.327 1.00 42.01 H new ATOM 0 HG3 LYS A 76 -12.329 -0.100 -7.345 1.00 42.01 H new ATOM 0 HD2 LYS A 76 -13.851 0.232 -9.083 1.00 11.24 H new ATOM 0 HD3 LYS A 76 -12.427 -0.315 -9.945 1.00 11.24 H new ATOM 0 HE2 LYS A 76 -14.743 -2.102 -9.087 1.00 2.44 H new ATOM 0 HE3 LYS A 76 -14.536 -1.439 -10.697 1.00 2.44 H new ATOM 0 HZ1 LYS A 76 -13.763 -3.614 -10.815 1.00 42.45 H new ATOM 0 HZ2 LYS A 76 -12.343 -2.688 -10.729 1.00 42.45 H new ATOM 0 HZ3 LYS A 76 -12.903 -3.512 -9.354 1.00 42.45 H new ATOM 1153 N LEU A 77 -12.563 -4.064 -5.881 1.00 44.23 N ATOM 1154 CA LEU A 77 -13.639 -5.027 -5.782 1.00 33.52 C ATOM 1155 C LEU A 77 -14.964 -4.340 -6.106 1.00 33.23 C ATOM 1156 O LEU A 77 -15.128 -3.149 -5.820 1.00 71.33 O ATOM 1157 CB LEU A 77 -13.702 -5.720 -4.395 1.00 34.00 C ATOM 1158 CG LEU A 77 -12.683 -6.848 -4.115 1.00 4.31 C ATOM 1159 CD1 LEU A 77 -11.256 -6.344 -4.099 1.00 42.11 C ATOM 1160 CD2 LEU A 77 -13.013 -7.554 -2.810 1.00 10.20 C ATOM 0 H LEU A 77 -12.335 -3.596 -5.004 1.00 44.23 H new ATOM 0 HA LEU A 77 -13.444 -5.817 -6.507 1.00 33.52 H new ATOM 0 HB2 LEU A 77 -13.575 -4.954 -3.630 1.00 34.00 H new ATOM 0 HB3 LEU A 77 -14.703 -6.132 -4.270 1.00 34.00 H new ATOM 0 HG LEU A 77 -12.762 -7.561 -4.935 1.00 4.31 H new ATOM 0 HD11 LEU A 77 -10.579 -7.174 -3.898 1.00 42.11 H new ATOM 0 HD12 LEU A 77 -11.014 -5.905 -5.067 1.00 42.11 H new ATOM 0 HD13 LEU A 77 -11.145 -5.589 -3.320 1.00 42.11 H new ATOM 0 HD21 LEU A 77 -12.285 -8.345 -2.630 1.00 10.20 H new ATOM 0 HD22 LEU A 77 -12.980 -6.837 -1.990 1.00 10.20 H new ATOM 0 HD23 LEU A 77 -14.011 -7.987 -2.873 1.00 10.20 H new ATOM 1172 N PRO A 78 -15.931 -5.064 -6.716 1.00 52.31 N ATOM 1173 CA PRO A 78 -17.236 -4.487 -7.117 1.00 12.01 C ATOM 1174 C PRO A 78 -18.084 -4.103 -5.907 1.00 51.44 C ATOM 1175 O PRO A 78 -19.013 -3.320 -6.004 1.00 42.51 O ATOM 1176 CB PRO A 78 -17.924 -5.627 -7.891 1.00 53.11 C ATOM 1177 CG PRO A 78 -16.866 -6.652 -8.140 1.00 42.13 C ATOM 1178 CD PRO A 78 -15.855 -6.499 -7.044 1.00 31.22 C ATOM 0 HA PRO A 78 -17.110 -3.575 -7.700 1.00 12.01 H new ATOM 0 HB2 PRO A 78 -18.748 -6.048 -7.315 1.00 53.11 H new ATOM 0 HB3 PRO A 78 -18.344 -5.264 -8.829 1.00 53.11 H new ATOM 0 HG2 PRO A 78 -17.291 -7.656 -8.138 1.00 42.13 H new ATOM 0 HG3 PRO A 78 -16.405 -6.503 -9.116 1.00 42.13 H new ATOM 0 HD2 PRO A 78 -16.096 -7.122 -6.183 1.00 31.22 H new ATOM 0 HD3 PRO A 78 -14.856 -6.785 -7.374 1.00 31.22 H new ATOM 1186 N ASN A 79 -17.712 -4.635 -4.769 1.00 64.41 N ATOM 1187 CA ASN A 79 -18.418 -4.411 -3.514 1.00 3.02 C ATOM 1188 C ASN A 79 -17.923 -3.141 -2.838 1.00 54.41 C ATOM 1189 O ASN A 79 -18.279 -2.873 -1.702 1.00 54.04 O ATOM 1190 CB ASN A 79 -18.186 -5.600 -2.565 1.00 54.11 C ATOM 1191 CG ASN A 79 -18.628 -6.927 -3.149 1.00 62.44 C ATOM 1192 OD1 ASN A 79 -17.860 -7.594 -3.834 1.00 75.44 O ATOM 1193 ND2 ASN A 79 -19.844 -7.330 -2.873 1.00 21.00 N ATOM 0 H ASN A 79 -16.900 -5.246 -4.678 1.00 64.41 H new ATOM 0 HA ASN A 79 -19.481 -4.310 -3.735 1.00 3.02 H new ATOM 0 HB2 ASN A 79 -17.126 -5.655 -2.315 1.00 54.11 H new ATOM 0 HB3 ASN A 79 -18.724 -5.423 -1.634 1.00 54.11 H new ATOM 0 HD21 ASN A 79 -20.178 -8.224 -3.231 1.00 21.00 H new ATOM 0 HD22 ASN A 79 -20.456 -6.749 -2.300 1.00 21.00 H new ATOM 1200 N ASN A 80 -17.113 -2.355 -3.569 1.00 63.11 N ATOM 1201 CA ASN A 80 -16.482 -1.127 -3.044 1.00 14.13 C ATOM 1202 C ASN A 80 -15.487 -1.453 -1.974 1.00 5.23 C ATOM 1203 O ASN A 80 -15.314 -0.720 -1.021 1.00 75.20 O ATOM 1204 CB ASN A 80 -17.495 -0.064 -2.562 1.00 42.30 C ATOM 1205 CG ASN A 80 -18.110 0.718 -3.699 1.00 10.13 C ATOM 1206 OD1 ASN A 80 -17.574 1.745 -4.114 1.00 42.23 O ATOM 1207 ND2 ASN A 80 -19.228 0.259 -4.206 1.00 45.44 N ATOM 0 H ASN A 80 -16.876 -2.552 -4.541 1.00 63.11 H new ATOM 0 HA ASN A 80 -15.958 -0.674 -3.886 1.00 14.13 H new ATOM 0 HB2 ASN A 80 -18.286 -0.554 -1.995 1.00 42.30 H new ATOM 0 HB3 ASN A 80 -16.995 0.625 -1.882 1.00 42.30 H new ATOM 0 HD21 ASN A 80 -19.683 0.757 -4.971 1.00 45.44 H new ATOM 0 HD22 ASN A 80 -19.643 -0.596 -3.836 1.00 45.44 H new ATOM 1214 N ALA A 81 -14.806 -2.542 -2.181 1.00 43.44 N ATOM 1215 CA ALA A 81 -13.764 -2.990 -1.309 1.00 62.25 C ATOM 1216 C ALA A 81 -12.484 -3.010 -2.114 1.00 40.53 C ATOM 1217 O ALA A 81 -12.534 -2.986 -3.351 1.00 0.21 O ATOM 1218 CB ALA A 81 -14.087 -4.371 -0.763 1.00 34.52 C ATOM 0 H ALA A 81 -14.965 -3.156 -2.980 1.00 43.44 H new ATOM 0 HA ALA A 81 -13.661 -2.324 -0.453 1.00 62.25 H new ATOM 0 HB1 ALA A 81 -13.285 -4.698 -0.101 1.00 34.52 H new ATOM 0 HB2 ALA A 81 -15.023 -4.332 -0.206 1.00 34.52 H new ATOM 0 HB3 ALA A 81 -14.185 -5.075 -1.589 1.00 34.52 H new ATOM 1224 N THR A 82 -11.365 -3.028 -1.466 1.00 12.13 N ATOM 1225 CA THR A 82 -10.117 -2.996 -2.163 1.00 3.41 C ATOM 1226 C THR A 82 -9.162 -4.073 -1.612 1.00 40.31 C ATOM 1227 O THR A 82 -9.085 -4.294 -0.408 1.00 20.35 O ATOM 1228 CB THR A 82 -9.485 -1.594 -2.026 1.00 51.04 C ATOM 1229 OG1 THR A 82 -10.484 -0.600 -2.297 1.00 34.43 O ATOM 1230 CG2 THR A 82 -8.362 -1.416 -3.029 1.00 2.21 C ATOM 0 H THR A 82 -11.288 -3.065 -0.450 1.00 12.13 H new ATOM 0 HA THR A 82 -10.293 -3.207 -3.218 1.00 3.41 H new ATOM 0 HB THR A 82 -9.092 -1.488 -1.015 1.00 51.04 H new ATOM 0 HG1 THR A 82 -11.081 -0.518 -1.525 1.00 34.43 H new ATOM 0 HG21 THR A 82 -7.929 -0.422 -2.917 1.00 2.21 H new ATOM 0 HG22 THR A 82 -7.594 -2.169 -2.852 1.00 2.21 H new ATOM 0 HG23 THR A 82 -8.755 -1.529 -4.039 1.00 2.21 H new ATOM 1238 N ARG A 83 -8.470 -4.743 -2.493 1.00 44.10 N ATOM 1239 CA ARG A 83 -7.519 -5.781 -2.117 1.00 53.02 C ATOM 1240 C ARG A 83 -6.125 -5.196 -2.270 1.00 73.23 C ATOM 1241 O ARG A 83 -5.804 -4.673 -3.322 1.00 23.21 O ATOM 1242 CB ARG A 83 -7.689 -6.979 -3.067 1.00 33.42 C ATOM 1243 CG ARG A 83 -6.816 -8.205 -2.792 1.00 31.01 C ATOM 1244 CD ARG A 83 -7.209 -8.915 -1.507 1.00 74.34 C ATOM 1245 NE ARG A 83 -6.488 -10.201 -1.351 1.00 40.03 N ATOM 1246 CZ ARG A 83 -6.507 -10.990 -0.252 1.00 45.05 C ATOM 1247 NH1 ARG A 83 -7.170 -10.620 0.835 1.00 13.34 N ATOM 1248 NH2 ARG A 83 -5.849 -12.157 -0.258 1.00 53.41 N ATOM 0 H ARG A 83 -8.543 -4.592 -3.499 1.00 44.10 H new ATOM 0 HA ARG A 83 -7.681 -6.115 -1.092 1.00 53.02 H new ATOM 0 HB2 ARG A 83 -8.733 -7.291 -3.037 1.00 33.42 H new ATOM 0 HB3 ARG A 83 -7.487 -6.639 -4.083 1.00 33.42 H new ATOM 0 HG2 ARG A 83 -6.896 -8.900 -3.628 1.00 31.01 H new ATOM 0 HG3 ARG A 83 -5.772 -7.899 -2.731 1.00 31.01 H new ATOM 0 HD2 ARG A 83 -6.994 -8.271 -0.654 1.00 74.34 H new ATOM 0 HD3 ARG A 83 -8.284 -9.097 -1.505 1.00 74.34 H new ATOM 0 HE ARG A 83 -5.928 -10.519 -2.142 1.00 40.03 H new ATOM 0 HH11 ARG A 83 -7.673 -9.733 0.848 1.00 13.34 H new ATOM 0 HH12 ARG A 83 -7.177 -11.223 1.658 1.00 13.34 H new ATOM 0 HH21 ARG A 83 -5.335 -12.449 -1.090 1.00 53.41 H new ATOM 0 HH22 ARG A 83 -5.862 -12.754 0.569 1.00 53.41 H new ATOM 1262 N ILE A 84 -5.324 -5.270 -1.235 1.00 62.34 N ATOM 1263 CA ILE A 84 -3.994 -4.695 -1.249 1.00 45.53 C ATOM 1264 C ILE A 84 -2.932 -5.768 -1.163 1.00 24.24 C ATOM 1265 O ILE A 84 -3.049 -6.721 -0.384 1.00 35.31 O ATOM 1266 CB ILE A 84 -3.794 -3.610 -0.108 1.00 15.54 C ATOM 1267 CG1 ILE A 84 -4.182 -2.208 -0.583 1.00 14.05 C ATOM 1268 CG2 ILE A 84 -2.387 -3.595 0.476 1.00 74.14 C ATOM 1269 CD1 ILE A 84 -5.638 -2.025 -0.889 1.00 72.43 C ATOM 0 H ILE A 84 -5.572 -5.729 -0.359 1.00 62.34 H new ATOM 0 HA ILE A 84 -3.885 -4.181 -2.204 1.00 45.53 H new ATOM 0 HB ILE A 84 -4.469 -3.911 0.693 1.00 15.54 H new ATOM 0 HG12 ILE A 84 -3.894 -1.488 0.183 1.00 14.05 H new ATOM 0 HG13 ILE A 84 -3.605 -1.971 -1.477 1.00 14.05 H new ATOM 0 HG21 ILE A 84 -2.322 -2.830 1.250 1.00 74.14 H new ATOM 0 HG22 ILE A 84 -2.163 -4.570 0.910 1.00 74.14 H new ATOM 0 HG23 ILE A 84 -1.668 -3.375 -0.313 1.00 74.14 H new ATOM 0 HD11 ILE A 84 -5.815 -1.001 -1.217 1.00 72.43 H new ATOM 0 HD12 ILE A 84 -5.933 -2.716 -1.679 1.00 72.43 H new ATOM 0 HD13 ILE A 84 -6.226 -2.225 0.007 1.00 72.43 H new ATOM 1281 N SER A 85 -1.953 -5.645 -2.013 1.00 1.23 N ATOM 1282 CA SER A 85 -0.801 -6.500 -2.014 1.00 73.23 C ATOM 1283 C SER A 85 0.472 -5.640 -1.957 1.00 20.21 C ATOM 1284 O SER A 85 0.653 -4.726 -2.775 1.00 13.24 O ATOM 1285 CB SER A 85 -0.834 -7.391 -3.250 1.00 41.21 C ATOM 1286 OG SER A 85 -2.064 -8.104 -3.285 1.00 40.25 O ATOM 0 H SER A 85 -1.933 -4.931 -2.741 1.00 1.23 H new ATOM 0 HA SER A 85 -0.805 -7.147 -1.137 1.00 73.23 H new ATOM 0 HB2 SER A 85 -0.725 -6.787 -4.151 1.00 41.21 H new ATOM 0 HB3 SER A 85 0.003 -8.089 -3.231 1.00 41.21 H new ATOM 0 HG SER A 85 -2.088 -8.676 -4.080 1.00 40.25 H new ATOM 1292 N ILE A 86 1.299 -5.905 -0.974 1.00 11.53 N ATOM 1293 CA ILE A 86 2.541 -5.182 -0.729 1.00 72.33 C ATOM 1294 C ILE A 86 3.718 -6.100 -1.103 1.00 65.25 C ATOM 1295 O ILE A 86 3.625 -7.310 -0.934 1.00 71.43 O ATOM 1296 CB ILE A 86 2.703 -4.836 0.779 1.00 1.22 C ATOM 1297 CG1 ILE A 86 1.436 -4.168 1.384 1.00 34.01 C ATOM 1298 CG2 ILE A 86 3.918 -3.929 0.972 1.00 12.14 C ATOM 1299 CD1 ILE A 86 1.218 -2.711 1.022 1.00 65.24 C ATOM 0 H ILE A 86 1.129 -6.650 -0.298 1.00 11.53 H new ATOM 0 HA ILE A 86 2.523 -4.265 -1.318 1.00 72.33 H new ATOM 0 HB ILE A 86 2.849 -5.776 1.312 1.00 1.22 H new ATOM 0 HG12 ILE A 86 0.562 -4.736 1.065 1.00 34.01 H new ATOM 0 HG13 ILE A 86 1.490 -4.248 2.470 1.00 34.01 H new ATOM 0 HG21 ILE A 86 4.028 -3.689 2.029 1.00 12.14 H new ATOM 0 HG22 ILE A 86 4.814 -4.441 0.621 1.00 12.14 H new ATOM 0 HG23 ILE A 86 3.780 -3.009 0.403 1.00 12.14 H new ATOM 0 HD11 ILE A 86 0.307 -2.350 1.499 1.00 65.24 H new ATOM 0 HD12 ILE A 86 2.066 -2.120 1.366 1.00 65.24 H new ATOM 0 HD13 ILE A 86 1.124 -2.615 -0.060 1.00 65.24 H new ATOM 1311 N LYS A 87 4.814 -5.529 -1.561 1.00 45.33 N ATOM 1312 CA LYS A 87 5.993 -6.298 -1.928 1.00 54.20 C ATOM 1313 C LYS A 87 7.118 -6.035 -0.934 1.00 4.53 C ATOM 1314 O LYS A 87 7.378 -4.903 -0.557 1.00 53.51 O ATOM 1315 CB LYS A 87 6.504 -5.921 -3.321 1.00 65.41 C ATOM 1316 CG LYS A 87 7.839 -6.594 -3.654 1.00 51.14 C ATOM 1317 CD LYS A 87 8.493 -6.001 -4.869 1.00 14.04 C ATOM 1318 CE LYS A 87 9.918 -6.530 -5.043 1.00 13.40 C ATOM 1319 NZ LYS A 87 10.809 -6.103 -3.921 1.00 51.42 N ATOM 0 H LYS A 87 4.916 -4.522 -1.690 1.00 45.33 H new ATOM 0 HA LYS A 87 5.703 -7.349 -1.922 1.00 54.20 H new ATOM 0 HB2 LYS A 87 5.761 -6.204 -4.067 1.00 65.41 H new ATOM 0 HB3 LYS A 87 6.620 -4.839 -3.382 1.00 65.41 H new ATOM 0 HG2 LYS A 87 8.512 -6.502 -2.801 1.00 51.14 H new ATOM 0 HG3 LYS A 87 7.675 -7.659 -3.817 1.00 51.14 H new ATOM 0 HD2 LYS A 87 7.904 -6.238 -5.755 1.00 14.04 H new ATOM 0 HD3 LYS A 87 8.514 -4.915 -4.781 1.00 14.04 H new ATOM 0 HE2 LYS A 87 9.898 -7.618 -5.097 1.00 13.40 H new ATOM 0 HE3 LYS A 87 10.326 -6.171 -5.988 1.00 13.40 H new ATOM 0 HZ1 LYS A 87 11.784 -6.408 -4.116 1.00 51.42 H new ATOM 0 HZ2 LYS A 87 10.782 -5.067 -3.831 1.00 51.42 H new ATOM 0 HZ3 LYS A 87 10.482 -6.536 -3.034 1.00 51.42 H new ATOM 1333 N TYR A 88 7.766 -7.097 -0.525 1.00 71.22 N ATOM 1334 CA TYR A 88 8.854 -7.053 0.428 1.00 64.42 C ATOM 1335 C TYR A 88 10.191 -7.026 -0.282 1.00 50.53 C ATOM 1336 O TYR A 88 10.278 -7.351 -1.485 1.00 53.11 O ATOM 1337 CB TYR A 88 8.811 -8.277 1.343 1.00 44.31 C ATOM 1338 CG TYR A 88 9.099 -9.605 0.649 1.00 64.24 C ATOM 1339 CD1 TYR A 88 8.113 -10.259 -0.057 1.00 32.34 C ATOM 1340 CD2 TYR A 88 10.363 -10.193 0.702 1.00 41.50 C ATOM 1341 CE1 TYR A 88 8.358 -11.454 -0.698 1.00 35.43 C ATOM 1342 CE2 TYR A 88 10.619 -11.392 0.064 1.00 13.42 C ATOM 1343 CZ TYR A 88 9.608 -12.017 -0.634 1.00 45.21 C ATOM 1344 OH TYR A 88 9.851 -13.202 -1.276 1.00 3.21 O ATOM 0 H TYR A 88 7.549 -8.039 -0.851 1.00 71.22 H new ATOM 0 HA TYR A 88 8.739 -6.144 1.019 1.00 64.42 H new ATOM 0 HB2 TYR A 88 9.535 -8.138 2.146 1.00 44.31 H new ATOM 0 HB3 TYR A 88 7.826 -8.332 1.807 1.00 44.31 H new ATOM 0 HD1 TYR A 88 7.125 -9.825 -0.109 1.00 32.34 H new ATOM 0 HD2 TYR A 88 11.154 -9.703 1.250 1.00 41.50 H new ATOM 0 HE1 TYR A 88 7.570 -11.946 -1.249 1.00 35.43 H new ATOM 0 HE2 TYR A 88 11.603 -11.835 0.112 1.00 13.42 H new ATOM 0 HH TYR A 88 10.784 -13.465 -1.134 1.00 3.21 H new ATOM 1354 N GLY A 89 11.197 -6.553 0.402 1.00 53.53 N ATOM 1355 CA GLY A 89 12.515 -6.642 -0.109 1.00 1.24 C ATOM 1356 C GLY A 89 13.524 -6.945 0.971 1.00 22.21 C ATOM 1357 O GLY A 89 13.545 -8.033 1.515 1.00 33.14 O ATOM 0 H GLY A 89 11.117 -6.104 1.314 1.00 53.53 H new ATOM 0 HA2 GLY A 89 12.556 -7.420 -0.871 1.00 1.24 H new ATOM 0 HA3 GLY A 89 12.778 -5.704 -0.597 1.00 1.24 H new ATOM 1361 N SER A 90 14.290 -5.951 1.310 1.00 14.15 N ATOM 1362 CA SER A 90 15.432 -6.077 2.192 1.00 40.03 C ATOM 1363 C SER A 90 15.035 -6.147 3.678 1.00 4.25 C ATOM 1364 O SER A 90 15.530 -6.991 4.420 1.00 11.12 O ATOM 1365 CB SER A 90 16.344 -4.859 1.920 1.00 40.11 C ATOM 1366 OG SER A 90 17.552 -4.864 2.646 1.00 42.23 O ATOM 0 H SER A 90 14.141 -4.999 0.975 1.00 14.15 H new ATOM 0 HA SER A 90 15.948 -7.015 1.988 1.00 40.03 H new ATOM 0 HB2 SER A 90 16.574 -4.823 0.855 1.00 40.11 H new ATOM 0 HB3 SER A 90 15.794 -3.948 2.158 1.00 40.11 H new ATOM 0 HG SER A 90 17.816 -3.942 2.847 1.00 42.23 H new ATOM 1372 N GLN A 91 14.104 -5.307 4.097 1.00 10.42 N ATOM 1373 CA GLN A 91 13.805 -5.202 5.528 1.00 71.45 C ATOM 1374 C GLN A 91 12.499 -5.885 5.931 1.00 14.23 C ATOM 1375 O GLN A 91 12.066 -5.768 7.073 1.00 51.21 O ATOM 1376 CB GLN A 91 13.836 -3.733 5.968 1.00 22.54 C ATOM 1377 CG GLN A 91 12.775 -2.869 5.325 1.00 52.10 C ATOM 1378 CD GLN A 91 13.021 -1.394 5.531 1.00 12.21 C ATOM 1379 OE1 GLN A 91 13.669 -0.772 4.731 1.00 64.22 O ATOM 1380 NE2 GLN A 91 12.520 -0.831 6.604 1.00 15.12 N ATOM 0 H GLN A 91 13.552 -4.700 3.491 1.00 10.42 H new ATOM 0 HA GLN A 91 14.587 -5.747 6.056 1.00 71.45 H new ATOM 0 HB2 GLN A 91 13.718 -3.688 7.051 1.00 22.54 H new ATOM 0 HB3 GLN A 91 14.816 -3.317 5.736 1.00 22.54 H new ATOM 0 HG2 GLN A 91 12.738 -3.081 4.256 1.00 52.10 H new ATOM 0 HG3 GLN A 91 11.800 -3.131 5.736 1.00 52.10 H new ATOM 0 HE21 GLN A 91 11.975 -1.386 7.264 1.00 15.12 H new ATOM 0 HE22 GLN A 91 12.676 0.162 6.779 1.00 15.12 H new ATOM 1389 N GLY A 92 11.893 -6.617 5.006 1.00 1.04 N ATOM 1390 CA GLY A 92 10.592 -7.225 5.282 1.00 4.42 C ATOM 1391 C GLY A 92 9.532 -6.144 5.394 1.00 65.24 C ATOM 1392 O GLY A 92 9.220 -5.658 6.482 1.00 53.15 O ATOM 0 H GLY A 92 12.269 -6.804 4.076 1.00 1.04 H new ATOM 0 HA2 GLY A 92 10.330 -7.923 4.486 1.00 4.42 H new ATOM 0 HA3 GLY A 92 10.638 -7.799 6.207 1.00 4.42 H new ATOM 1396 N ASN A 93 8.964 -5.794 4.264 1.00 13.30 N ATOM 1397 CA ASN A 93 8.074 -4.636 4.150 1.00 54.34 C ATOM 1398 C ASN A 93 6.827 -4.750 5.040 1.00 14.35 C ATOM 1399 O ASN A 93 6.337 -3.750 5.512 1.00 4.44 O ATOM 1400 CB ASN A 93 7.678 -4.415 2.681 1.00 24.34 C ATOM 1401 CG ASN A 93 7.150 -3.014 2.358 1.00 32.55 C ATOM 1402 OD1 ASN A 93 6.586 -2.317 3.190 1.00 45.32 O ATOM 1403 ND2 ASN A 93 7.329 -2.608 1.133 1.00 63.34 N ATOM 0 H ASN A 93 9.099 -6.299 3.388 1.00 13.30 H new ATOM 0 HA ASN A 93 8.629 -3.769 4.509 1.00 54.34 H new ATOM 0 HB2 ASN A 93 8.546 -4.614 2.052 1.00 24.34 H new ATOM 0 HB3 ASN A 93 6.915 -5.146 2.412 1.00 24.34 H new ATOM 0 HD21 ASN A 93 6.995 -1.688 0.847 1.00 63.34 H new ATOM 0 HD22 ASN A 93 7.803 -3.211 0.460 1.00 63.34 H new ATOM 1410 N SER A 94 6.396 -5.977 5.333 1.00 63.13 N ATOM 1411 CA SER A 94 5.163 -6.266 6.094 1.00 72.13 C ATOM 1412 C SER A 94 4.972 -5.398 7.373 1.00 45.23 C ATOM 1413 O SER A 94 3.842 -5.012 7.688 1.00 4.34 O ATOM 1414 CB SER A 94 5.111 -7.759 6.448 1.00 44.22 C ATOM 1415 OG SER A 94 3.923 -8.101 7.139 1.00 73.24 O ATOM 0 H SER A 94 6.897 -6.818 5.047 1.00 63.13 H new ATOM 0 HA SER A 94 4.335 -5.998 5.438 1.00 72.13 H new ATOM 0 HB2 SER A 94 5.182 -8.350 5.535 1.00 44.22 H new ATOM 0 HB3 SER A 94 5.974 -8.016 7.062 1.00 44.22 H new ATOM 0 HG SER A 94 3.917 -9.063 7.323 1.00 73.24 H new ATOM 1421 N ILE A 95 6.052 -5.081 8.079 1.00 64.15 N ATOM 1422 CA ILE A 95 5.959 -4.262 9.294 1.00 50.35 C ATOM 1423 C ILE A 95 5.558 -2.818 8.919 1.00 33.40 C ATOM 1424 O ILE A 95 4.642 -2.231 9.501 1.00 1.45 O ATOM 1425 CB ILE A 95 7.302 -4.254 10.133 1.00 2.21 C ATOM 1426 CG1 ILE A 95 7.673 -5.659 10.690 1.00 1.22 C ATOM 1427 CG2 ILE A 95 7.228 -3.256 11.285 1.00 75.53 C ATOM 1428 CD1 ILE A 95 8.137 -6.681 9.663 1.00 20.13 C ATOM 0 H ILE A 95 6.999 -5.374 7.837 1.00 64.15 H new ATOM 0 HA ILE A 95 5.194 -4.710 9.928 1.00 50.35 H new ATOM 0 HB ILE A 95 8.086 -3.952 9.439 1.00 2.21 H new ATOM 0 HG12 ILE A 95 8.460 -5.537 11.434 1.00 1.22 H new ATOM 0 HG13 ILE A 95 6.804 -6.063 11.209 1.00 1.22 H new ATOM 0 HG21 ILE A 95 8.165 -3.274 11.842 1.00 75.53 H new ATOM 0 HG22 ILE A 95 7.060 -2.255 10.889 1.00 75.53 H new ATOM 0 HG23 ILE A 95 6.406 -3.526 11.948 1.00 75.53 H new ATOM 0 HD11 ILE A 95 8.368 -7.621 10.164 1.00 20.13 H new ATOM 0 HD12 ILE A 95 7.347 -6.845 8.930 1.00 20.13 H new ATOM 0 HD13 ILE A 95 9.029 -6.310 9.158 1.00 20.13 H new ATOM 1440 N ARG A 96 6.185 -2.320 7.873 1.00 32.50 N ATOM 1441 CA ARG A 96 5.974 -0.959 7.362 1.00 34.44 C ATOM 1442 C ARG A 96 4.568 -0.901 6.769 1.00 71.45 C ATOM 1443 O ARG A 96 3.831 0.071 6.941 1.00 24.11 O ATOM 1444 CB ARG A 96 7.003 -0.691 6.249 1.00 73.40 C ATOM 1445 CG ARG A 96 8.423 -1.067 6.644 1.00 22.20 C ATOM 1446 CD ARG A 96 9.297 -1.339 5.431 1.00 61.05 C ATOM 1447 NE ARG A 96 9.870 -0.158 4.796 1.00 23.30 N ATOM 1448 CZ ARG A 96 10.400 -0.156 3.563 1.00 0.45 C ATOM 1449 NH1 ARG A 96 10.207 -1.203 2.771 1.00 32.32 N ATOM 1450 NH2 ARG A 96 11.119 0.879 3.139 1.00 35.32 N ATOM 0 H ARG A 96 6.871 -2.851 7.336 1.00 32.50 H new ATOM 0 HA ARG A 96 6.087 -0.218 8.154 1.00 34.44 H new ATOM 0 HB2 ARG A 96 6.720 -1.252 5.358 1.00 73.40 H new ATOM 0 HB3 ARG A 96 6.974 0.366 5.983 1.00 73.40 H new ATOM 0 HG2 ARG A 96 8.861 -0.261 7.233 1.00 22.20 H new ATOM 0 HG3 ARG A 96 8.400 -1.952 7.280 1.00 22.20 H new ATOM 0 HD2 ARG A 96 10.110 -2.000 5.731 1.00 61.05 H new ATOM 0 HD3 ARG A 96 8.705 -1.877 4.691 1.00 61.05 H new ATOM 0 HE ARG A 96 9.868 0.718 5.319 1.00 23.30 H new ATOM 0 HH11 ARG A 96 9.661 -1.998 3.101 1.00 32.32 H new ATOM 0 HH12 ARG A 96 10.605 -1.212 1.832 1.00 32.32 H new ATOM 0 HH21 ARG A 96 11.271 1.680 3.752 1.00 35.32 H new ATOM 0 HH22 ARG A 96 11.518 0.872 2.200 1.00 35.32 H new ATOM 1464 N SER A 97 4.205 -1.986 6.100 1.00 34.22 N ATOM 1465 CA SER A 97 2.917 -2.149 5.480 1.00 64.43 C ATOM 1466 C SER A 97 1.792 -2.079 6.508 1.00 20.42 C ATOM 1467 O SER A 97 0.764 -1.473 6.257 1.00 51.14 O ATOM 1468 CB SER A 97 2.882 -3.491 4.801 1.00 31.31 C ATOM 1469 OG SER A 97 4.028 -3.674 4.000 1.00 72.45 O ATOM 0 H SER A 97 4.819 -2.791 5.976 1.00 34.22 H new ATOM 0 HA SER A 97 2.769 -1.343 4.761 1.00 64.43 H new ATOM 0 HB2 SER A 97 2.825 -4.281 5.549 1.00 31.31 H new ATOM 0 HB3 SER A 97 1.986 -3.570 4.186 1.00 31.31 H new ATOM 0 HG SER A 97 4.131 -4.625 3.789 1.00 72.45 H new ATOM 1475 N SER A 98 2.008 -2.683 7.672 1.00 70.04 N ATOM 1476 CA SER A 98 1.009 -2.709 8.719 1.00 72.33 C ATOM 1477 C SER A 98 0.690 -1.281 9.181 1.00 40.23 C ATOM 1478 O SER A 98 -0.470 -0.938 9.426 1.00 50.23 O ATOM 1479 CB SER A 98 1.487 -3.587 9.892 1.00 10.52 C ATOM 1480 OG SER A 98 0.462 -3.792 10.848 1.00 12.53 O ATOM 0 H SER A 98 2.876 -3.163 7.909 1.00 70.04 H new ATOM 0 HA SER A 98 0.092 -3.148 8.327 1.00 72.33 H new ATOM 0 HB2 SER A 98 1.826 -4.550 9.510 1.00 10.52 H new ATOM 0 HB3 SER A 98 2.344 -3.115 10.373 1.00 10.52 H new ATOM 0 HG SER A 98 0.801 -4.354 11.576 1.00 12.53 H new ATOM 1486 N ALA A 99 1.719 -0.450 9.268 1.00 45.33 N ATOM 1487 CA ALA A 99 1.544 0.941 9.641 1.00 1.43 C ATOM 1488 C ALA A 99 0.838 1.695 8.523 1.00 61.14 C ATOM 1489 O ALA A 99 -0.071 2.487 8.773 1.00 33.12 O ATOM 1490 CB ALA A 99 2.885 1.586 9.971 1.00 52.22 C ATOM 0 H ALA A 99 2.686 -0.719 9.084 1.00 45.33 H new ATOM 0 HA ALA A 99 0.924 0.988 10.536 1.00 1.43 H new ATOM 0 HB1 ALA A 99 2.729 2.629 10.248 1.00 52.22 H new ATOM 0 HB2 ALA A 99 3.349 1.055 10.802 1.00 52.22 H new ATOM 0 HB3 ALA A 99 3.537 1.536 9.099 1.00 52.22 H new ATOM 1496 N LEU A 100 1.237 1.393 7.282 1.00 33.33 N ATOM 1497 CA LEU A 100 0.679 2.006 6.089 1.00 62.51 C ATOM 1498 C LEU A 100 -0.823 1.789 6.047 1.00 54.01 C ATOM 1499 O LEU A 100 -1.579 2.726 5.857 1.00 54.32 O ATOM 1500 CB LEU A 100 1.315 1.378 4.841 1.00 63.11 C ATOM 1501 CG LEU A 100 1.042 2.082 3.513 1.00 11.21 C ATOM 1502 CD1 LEU A 100 1.611 3.492 3.525 1.00 30.02 C ATOM 1503 CD2 LEU A 100 1.622 1.277 2.367 1.00 31.32 C ATOM 0 H LEU A 100 1.965 0.707 7.084 1.00 33.33 H new ATOM 0 HA LEU A 100 0.889 3.075 6.110 1.00 62.51 H new ATOM 0 HB2 LEU A 100 2.394 1.337 4.991 1.00 63.11 H new ATOM 0 HB3 LEU A 100 0.965 0.349 4.760 1.00 63.11 H new ATOM 0 HG LEU A 100 -0.036 2.156 3.373 1.00 11.21 H new ATOM 0 HD11 LEU A 100 1.406 3.975 2.570 1.00 30.02 H new ATOM 0 HD12 LEU A 100 1.148 4.064 4.329 1.00 30.02 H new ATOM 0 HD13 LEU A 100 2.688 3.448 3.685 1.00 30.02 H new ATOM 0 HD21 LEU A 100 1.422 1.788 1.425 1.00 31.32 H new ATOM 0 HD22 LEU A 100 2.699 1.175 2.502 1.00 31.32 H new ATOM 0 HD23 LEU A 100 1.163 0.288 2.348 1.00 31.32 H new ATOM 1515 N ILE A 101 -1.229 0.561 6.312 1.00 34.54 N ATOM 1516 CA ILE A 101 -2.641 0.162 6.274 1.00 50.21 C ATOM 1517 C ILE A 101 -3.481 0.988 7.250 1.00 42.54 C ATOM 1518 O ILE A 101 -4.566 1.467 6.883 1.00 2.33 O ATOM 1519 CB ILE A 101 -2.812 -1.359 6.593 1.00 45.34 C ATOM 1520 CG1 ILE A 101 -2.115 -2.233 5.538 1.00 3.54 C ATOM 1521 CG2 ILE A 101 -4.278 -1.751 6.730 1.00 51.34 C ATOM 1522 CD1 ILE A 101 -2.609 -2.040 4.114 1.00 1.41 C ATOM 0 H ILE A 101 -0.594 -0.197 6.561 1.00 34.54 H new ATOM 0 HA ILE A 101 -2.995 0.350 5.261 1.00 50.21 H new ATOM 0 HB ILE A 101 -2.332 -1.536 7.555 1.00 45.34 H new ATOM 0 HG12 ILE A 101 -1.045 -2.026 5.566 1.00 3.54 H new ATOM 0 HG13 ILE A 101 -2.245 -3.280 5.813 1.00 3.54 H new ATOM 0 HG21 ILE A 101 -4.351 -2.816 6.951 1.00 51.34 H new ATOM 0 HG22 ILE A 101 -4.733 -1.180 7.539 1.00 51.34 H new ATOM 0 HG23 ILE A 101 -4.800 -1.538 5.797 1.00 51.34 H new ATOM 0 HD11 ILE A 101 -2.057 -2.700 3.445 1.00 1.41 H new ATOM 0 HD12 ILE A 101 -3.672 -2.277 4.062 1.00 1.41 H new ATOM 0 HD13 ILE A 101 -2.453 -1.004 3.812 1.00 1.41 H new ATOM 1534 N GLY A 102 -2.952 1.199 8.452 1.00 73.41 N ATOM 1535 CA GLY A 102 -3.661 1.977 9.457 1.00 52.31 C ATOM 1536 C GLY A 102 -3.886 3.398 9.007 1.00 71.45 C ATOM 1537 O GLY A 102 -4.945 3.978 9.212 1.00 24.22 O ATOM 0 H GLY A 102 -2.043 0.845 8.750 1.00 73.41 H new ATOM 0 HA2 GLY A 102 -4.621 1.507 9.671 1.00 52.31 H new ATOM 0 HA3 GLY A 102 -3.092 1.976 10.386 1.00 52.31 H new ATOM 1541 N ILE A 103 -2.895 3.936 8.373 1.00 23.44 N ATOM 1542 CA ILE A 103 -2.935 5.282 7.876 1.00 13.54 C ATOM 1543 C ILE A 103 -3.889 5.415 6.686 1.00 51.41 C ATOM 1544 O ILE A 103 -4.624 6.401 6.581 1.00 33.11 O ATOM 1545 CB ILE A 103 -1.523 5.751 7.507 1.00 21.25 C ATOM 1546 CG1 ILE A 103 -0.647 5.710 8.759 1.00 12.44 C ATOM 1547 CG2 ILE A 103 -1.556 7.152 6.908 1.00 54.12 C ATOM 1548 CD1 ILE A 103 0.818 5.861 8.489 1.00 53.34 C ATOM 0 H ILE A 103 -2.020 3.449 8.181 1.00 23.44 H new ATOM 0 HA ILE A 103 -3.319 5.925 8.668 1.00 13.54 H new ATOM 0 HB ILE A 103 -1.104 5.086 6.751 1.00 21.25 H new ATOM 0 HG12 ILE A 103 -0.964 6.503 9.436 1.00 12.44 H new ATOM 0 HG13 ILE A 103 -0.814 4.765 9.275 1.00 12.44 H new ATOM 0 HG21 ILE A 103 -0.543 7.463 6.654 1.00 54.12 H new ATOM 0 HG22 ILE A 103 -2.171 7.148 6.008 1.00 54.12 H new ATOM 0 HG23 ILE A 103 -1.978 7.848 7.633 1.00 54.12 H new ATOM 0 HD11 ILE A 103 1.367 5.821 9.430 1.00 53.34 H new ATOM 0 HD12 ILE A 103 1.153 5.053 7.838 1.00 53.34 H new ATOM 0 HD13 ILE A 103 1.001 6.819 8.002 1.00 53.34 H new ATOM 1560 N ILE A 104 -3.902 4.407 5.820 1.00 62.12 N ATOM 1561 CA ILE A 104 -4.732 4.444 4.623 1.00 52.04 C ATOM 1562 C ILE A 104 -6.192 4.537 5.017 1.00 12.40 C ATOM 1563 O ILE A 104 -6.912 5.425 4.567 1.00 52.31 O ATOM 1564 CB ILE A 104 -4.540 3.154 3.766 1.00 63.24 C ATOM 1565 CG1 ILE A 104 -3.099 3.036 3.265 1.00 21.04 C ATOM 1566 CG2 ILE A 104 -5.513 3.124 2.585 1.00 15.44 C ATOM 1567 CD1 ILE A 104 -2.787 1.706 2.602 1.00 73.15 C ATOM 0 H ILE A 104 -3.348 3.557 5.925 1.00 62.12 H new ATOM 0 HA ILE A 104 -4.434 5.314 4.037 1.00 52.04 H new ATOM 0 HB ILE A 104 -4.754 2.300 4.409 1.00 63.24 H new ATOM 0 HG12 ILE A 104 -2.904 3.840 2.555 1.00 21.04 H new ATOM 0 HG13 ILE A 104 -2.419 3.181 4.105 1.00 21.04 H new ATOM 0 HG21 ILE A 104 -5.355 2.214 2.007 1.00 15.44 H new ATOM 0 HG22 ILE A 104 -6.537 3.145 2.957 1.00 15.44 H new ATOM 0 HG23 ILE A 104 -5.340 3.992 1.949 1.00 15.44 H new ATOM 0 HD11 ILE A 104 -1.748 1.698 2.273 1.00 73.15 H new ATOM 0 HD12 ILE A 104 -2.948 0.897 3.315 1.00 73.15 H new ATOM 0 HD13 ILE A 104 -3.441 1.566 1.741 1.00 73.15 H new ATOM 1579 N GLU A 105 -6.603 3.658 5.897 1.00 0.23 N ATOM 1580 CA GLU A 105 -7.964 3.641 6.344 1.00 75.11 C ATOM 1581 C GLU A 105 -8.290 4.892 7.180 1.00 14.01 C ATOM 1582 O GLU A 105 -9.383 5.457 7.071 1.00 63.32 O ATOM 1583 CB GLU A 105 -8.289 2.323 7.041 1.00 43.41 C ATOM 1584 CG GLU A 105 -7.611 2.113 8.364 1.00 63.31 C ATOM 1585 CD GLU A 105 -8.610 2.198 9.473 1.00 63.31 C ATOM 1586 OE1 GLU A 105 -9.402 1.246 9.652 1.00 51.14 O ATOM 1587 OE2 GLU A 105 -8.688 3.240 10.125 1.00 51.15 O ATOM 0 H GLU A 105 -6.008 2.944 6.317 1.00 0.23 H new ATOM 0 HA GLU A 105 -8.625 3.690 5.479 1.00 75.11 H new ATOM 0 HB2 GLU A 105 -9.367 2.266 7.191 1.00 43.41 H new ATOM 0 HB3 GLU A 105 -8.016 1.503 6.377 1.00 43.41 H new ATOM 0 HG2 GLU A 105 -7.121 1.140 8.380 1.00 63.31 H new ATOM 0 HG3 GLU A 105 -6.834 2.864 8.506 1.00 63.31 H new ATOM 1594 N GLY A 106 -7.304 5.341 7.962 1.00 71.43 N ATOM 1595 CA GLY A 106 -7.440 6.518 8.793 1.00 32.14 C ATOM 1596 C GLY A 106 -7.729 7.764 7.995 1.00 72.41 C ATOM 1597 O GLY A 106 -8.608 8.559 8.362 1.00 62.51 O ATOM 0 H GLY A 106 -6.391 4.891 8.029 1.00 71.43 H new ATOM 0 HA2 GLY A 106 -8.243 6.358 9.513 1.00 32.14 H new ATOM 0 HA3 GLY A 106 -6.523 6.662 9.364 1.00 32.14 H new ATOM 1601 N ASN A 107 -7.021 7.928 6.888 1.00 70.50 N ATOM 1602 CA ASN A 107 -7.229 9.062 6.007 1.00 10.32 C ATOM 1603 C ASN A 107 -8.609 9.015 5.396 1.00 34.53 C ATOM 1604 O ASN A 107 -9.251 10.048 5.217 1.00 21.32 O ATOM 1605 CB ASN A 107 -6.178 9.134 4.898 1.00 74.34 C ATOM 1606 CG ASN A 107 -4.837 9.726 5.312 1.00 65.33 C ATOM 1607 OD1 ASN A 107 -4.386 9.593 6.452 1.00 13.50 O ATOM 1608 ND2 ASN A 107 -4.204 10.415 4.392 1.00 45.13 N ATOM 0 H ASN A 107 -6.293 7.284 6.579 1.00 70.50 H new ATOM 0 HA ASN A 107 -7.131 9.959 6.619 1.00 10.32 H new ATOM 0 HB2 ASN A 107 -6.010 8.128 4.513 1.00 74.34 H new ATOM 0 HB3 ASN A 107 -6.580 9.726 4.076 1.00 74.34 H new ATOM 0 HD21 ASN A 107 -3.312 10.859 4.611 1.00 45.13 H new ATOM 0 HD22 ASN A 107 -4.604 10.506 3.458 1.00 45.13 H new ATOM 1615 N ILE A 108 -9.081 7.811 5.105 1.00 21.44 N ATOM 1616 CA ILE A 108 -10.418 7.617 4.565 1.00 5.34 C ATOM 1617 C ILE A 108 -11.458 8.056 5.593 1.00 25.42 C ATOM 1618 O ILE A 108 -12.390 8.787 5.262 1.00 24.53 O ATOM 1619 CB ILE A 108 -10.651 6.139 4.159 1.00 13.23 C ATOM 1620 CG1 ILE A 108 -9.646 5.740 3.079 1.00 51.25 C ATOM 1621 CG2 ILE A 108 -12.089 5.926 3.669 1.00 61.23 C ATOM 1622 CD1 ILE A 108 -9.681 4.282 2.710 1.00 21.01 C ATOM 0 H ILE A 108 -8.553 6.948 5.235 1.00 21.44 H new ATOM 0 HA ILE A 108 -10.518 8.228 3.668 1.00 5.34 H new ATOM 0 HB ILE A 108 -10.503 5.506 5.034 1.00 13.23 H new ATOM 0 HG12 ILE A 108 -9.836 6.334 2.185 1.00 51.25 H new ATOM 0 HG13 ILE A 108 -8.643 5.992 3.422 1.00 51.25 H new ATOM 0 HG21 ILE A 108 -12.227 4.881 3.390 1.00 61.23 H new ATOM 0 HG22 ILE A 108 -12.787 6.184 4.465 1.00 61.23 H new ATOM 0 HG23 ILE A 108 -12.276 6.561 2.803 1.00 61.23 H new ATOM 0 HD11 ILE A 108 -8.938 4.084 1.938 1.00 21.01 H new ATOM 0 HD12 ILE A 108 -9.459 3.678 3.590 1.00 21.01 H new ATOM 0 HD13 ILE A 108 -10.671 4.025 2.334 1.00 21.01 H new ATOM 1634 N ARG A 109 -11.256 7.647 6.851 1.00 33.31 N ATOM 1635 CA ARG A 109 -12.160 8.023 7.935 1.00 0.03 C ATOM 1636 C ARG A 109 -12.210 9.535 8.071 1.00 63.01 C ATOM 1637 O ARG A 109 -13.278 10.115 8.203 1.00 34.34 O ATOM 1638 CB ARG A 109 -11.729 7.425 9.281 1.00 41.32 C ATOM 1639 CG ARG A 109 -11.536 5.926 9.286 1.00 25.11 C ATOM 1640 CD ARG A 109 -11.384 5.407 10.706 1.00 40.01 C ATOM 1641 NE ARG A 109 -11.103 3.977 10.740 1.00 43.04 N ATOM 1642 CZ ARG A 109 -11.909 3.013 11.184 1.00 73.44 C ATOM 1643 NH1 ARG A 109 -13.124 3.308 11.670 1.00 62.04 N ATOM 1644 NH2 ARG A 109 -11.508 1.755 11.125 1.00 30.02 N ATOM 0 H ARG A 109 -10.475 7.057 7.139 1.00 33.31 H new ATOM 0 HA ARG A 109 -13.143 7.628 7.680 1.00 0.03 H new ATOM 0 HB2 ARG A 109 -10.795 7.897 9.588 1.00 41.32 H new ATOM 0 HB3 ARG A 109 -12.477 7.682 10.031 1.00 41.32 H new ATOM 0 HG2 ARG A 109 -12.388 5.443 8.807 1.00 25.11 H new ATOM 0 HG3 ARG A 109 -10.653 5.666 8.702 1.00 25.11 H new ATOM 0 HD2 ARG A 109 -10.578 5.946 11.204 1.00 40.01 H new ATOM 0 HD3 ARG A 109 -12.297 5.610 11.265 1.00 40.01 H new ATOM 0 HE ARG A 109 -10.193 3.683 10.386 1.00 43.04 H new ATOM 0 HH11 ARG A 109 -13.439 4.278 11.702 1.00 62.04 H new ATOM 0 HH12 ARG A 109 -13.733 2.563 12.007 1.00 62.04 H new ATOM 0 HH21 ARG A 109 -10.590 1.530 10.742 1.00 30.02 H new ATOM 0 HH22 ARG A 109 -12.117 1.009 11.462 1.00 30.02 H new ATOM 1658 N TYR A 110 -11.038 10.162 8.002 1.00 0.11 N ATOM 1659 CA TYR A 110 -10.927 11.611 8.099 1.00 33.43 C ATOM 1660 C TYR A 110 -11.639 12.288 6.929 1.00 20.23 C ATOM 1661 O TYR A 110 -12.298 13.304 7.105 1.00 63.02 O ATOM 1662 CB TYR A 110 -9.454 12.050 8.166 1.00 72.32 C ATOM 1663 CG TYR A 110 -9.269 13.555 8.243 1.00 33.31 C ATOM 1664 CD1 TYR A 110 -9.437 14.234 9.444 1.00 1.13 C ATOM 1665 CD2 TYR A 110 -8.950 14.298 7.110 1.00 11.11 C ATOM 1666 CE1 TYR A 110 -9.290 15.605 9.515 1.00 53.12 C ATOM 1667 CE2 TYR A 110 -8.804 15.668 7.174 1.00 74.44 C ATOM 1668 CZ TYR A 110 -8.976 16.317 8.376 1.00 45.12 C ATOM 1669 OH TYR A 110 -8.832 17.683 8.440 1.00 61.44 O ATOM 0 H TYR A 110 -10.146 9.682 7.878 1.00 0.11 H new ATOM 0 HA TYR A 110 -11.413 11.923 9.023 1.00 33.43 H new ATOM 0 HB2 TYR A 110 -8.986 11.590 9.037 1.00 72.32 H new ATOM 0 HB3 TYR A 110 -8.931 11.673 7.287 1.00 72.32 H new ATOM 0 HD1 TYR A 110 -9.687 13.680 10.337 1.00 1.13 H new ATOM 0 HD2 TYR A 110 -8.815 13.793 6.165 1.00 11.11 H new ATOM 0 HE1 TYR A 110 -9.420 16.117 10.457 1.00 53.12 H new ATOM 0 HE2 TYR A 110 -8.556 16.229 6.285 1.00 74.44 H new ATOM 0 HH TYR A 110 -8.610 18.031 7.551 1.00 61.44 H new ATOM 1679 N ALA A 111 -11.516 11.705 5.747 1.00 21.45 N ATOM 1680 CA ALA A 111 -12.157 12.236 4.553 1.00 22.45 C ATOM 1681 C ALA A 111 -13.674 12.202 4.693 1.00 53.41 C ATOM 1682 O ALA A 111 -14.378 13.061 4.158 1.00 61.53 O ATOM 1683 CB ALA A 111 -11.714 11.463 3.318 1.00 74.11 C ATOM 0 H ALA A 111 -10.973 10.856 5.588 1.00 21.45 H new ATOM 0 HA ALA A 111 -11.850 13.275 4.435 1.00 22.45 H new ATOM 0 HB1 ALA A 111 -12.204 11.875 2.436 1.00 74.11 H new ATOM 0 HB2 ALA A 111 -10.633 11.546 3.205 1.00 74.11 H new ATOM 0 HB3 ALA A 111 -11.987 10.414 3.428 1.00 74.11 H new ATOM 1689 N ASN A 112 -14.162 11.224 5.430 1.00 52.15 N ATOM 1690 CA ASN A 112 -15.590 11.063 5.666 1.00 2.33 C ATOM 1691 C ASN A 112 -16.102 12.044 6.708 1.00 4.34 C ATOM 1692 O ASN A 112 -17.293 12.330 6.758 1.00 5.33 O ATOM 1693 CB ASN A 112 -15.936 9.622 6.096 1.00 32.24 C ATOM 1694 CG ASN A 112 -15.633 8.555 5.044 1.00 62.43 C ATOM 1695 OD1 ASN A 112 -15.719 8.905 3.778 1.00 61.04 O flip ATOM 1696 ND2 ASN A 112 -15.333 7.415 5.375 1.00 61.23 N flip ATOM 0 H ASN A 112 -13.583 10.517 5.884 1.00 52.15 H new ATOM 0 HA ASN A 112 -16.086 11.273 4.718 1.00 2.33 H new ATOM 0 HB2 ASN A 112 -15.383 9.385 7.005 1.00 32.24 H new ATOM 0 HB3 ASN A 112 -16.996 9.576 6.347 1.00 32.24 H new ATOM 0 HD21 ASN A 112 -15.273 7.170 6.363 1.00 61.23 H new ATOM 0 HD22 ASN A 112 -15.143 6.710 4.662 1.00 61.23 H new ATOM 1703 N THR A 113 -15.219 12.548 7.538 1.00 20.15 N ATOM 1704 CA THR A 113 -15.610 13.463 8.576 1.00 42.40 C ATOM 1705 C THR A 113 -15.348 14.917 8.185 1.00 23.14 C ATOM 1706 O THR A 113 -14.253 15.440 8.414 1.00 10.30 O ATOM 1707 CB THR A 113 -14.913 13.127 9.914 1.00 12.03 C ATOM 1708 OG1 THR A 113 -13.496 13.012 9.712 1.00 24.33 O ATOM 1709 CG2 THR A 113 -15.452 11.825 10.495 1.00 61.11 C ATOM 0 H THR A 113 -14.222 12.337 7.511 1.00 20.15 H new ATOM 0 HA THR A 113 -16.685 13.346 8.711 1.00 42.40 H new ATOM 0 HB THR A 113 -15.118 13.934 10.618 1.00 12.03 H new ATOM 0 HG1 THR A 113 -13.197 13.707 9.089 1.00 24.33 H new ATOM 0 HG21 THR A 113 -14.946 11.610 11.436 1.00 61.11 H new ATOM 0 HG22 THR A 113 -16.523 11.922 10.672 1.00 61.11 H new ATOM 0 HG23 THR A 113 -15.273 11.011 9.792 1.00 61.11 H new ATOM 1717 N HIS A 114 -16.322 15.519 7.548 1.00 64.33 N ATOM 1718 CA HIS A 114 -16.292 16.911 7.149 1.00 74.33 C ATOM 1719 C HIS A 114 -17.697 17.454 7.254 1.00 24.42 C ATOM 1720 O HIS A 114 -18.002 18.111 8.262 1.00 15.01 O ATOM 1721 CB HIS A 114 -15.752 17.105 5.709 1.00 51.25 C ATOM 1722 CG HIS A 114 -14.266 16.920 5.554 1.00 73.52 C ATOM 1723 ND1 HIS A 114 -13.670 15.769 5.087 1.00 43.54 N ATOM 1724 CD2 HIS A 114 -13.252 17.790 5.795 1.00 21.14 C ATOM 1725 CE1 HIS A 114 -12.350 15.971 5.059 1.00 64.33 C ATOM 1726 NE2 HIS A 114 -12.037 17.183 5.478 1.00 75.32 N ATOM 0 H HIS A 114 -17.184 15.043 7.283 1.00 64.33 H new ATOM 0 HA HIS A 114 -15.611 17.449 7.809 1.00 74.33 H new ATOM 0 HB2 HIS A 114 -16.261 16.402 5.049 1.00 51.25 H new ATOM 0 HB3 HIS A 114 -16.015 18.107 5.371 1.00 51.25 H new ATOM 0 HD1 HIS A 114 -14.152 14.913 4.811 1.00 43.54 H new ATOM 0 HD2 HIS A 114 -13.368 18.795 6.173 1.00 21.14 H new ATOM 0 HE1 HIS A 114 -11.629 15.235 4.734 1.00 64.33 H new TER 1734 HIS A 114