USER MOD reduce.3.24.130724 H: found=0, std=0, add=1090, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 1086 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 137 SER OG : rot 180:sc= -0.104 USER MOD Set 1.2: A 138 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 41 SER OG : rot 172:sc= -0.261 USER MOD Set 2.2: A 44 ASN : amide:sc= -0.686 K(o=0.099,f=-4.2!) USER MOD Set 2.3: A 119 SER OG : rot -105:sc= 1.05 USER MOD Set 3.1: A 19 MET CE :methyl -119:sc= -0.657 (180deg=-0.17) USER MOD Set 3.2: A 115 MET CE :methyl -125:sc= -3.09! (180deg=-2.56!) USER MOD Set 4.1: A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.2: A 108 GLN : amide:sc= -0.848 K(o=-0.85,f=-1.6) USER MOD Set 5.1: A 94 HIS :FLIP no HD1:sc= -0.517 F(o=-2.6!,f=-1.7) USER MOD Set 5.2: A 95 ASN : amide:sc= -1.18 K(o=-1.7,f=-3.4) USER MOD Single : A 1 GLY N :NH3+ -127:sc= 0.0649 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 GLN : amide:sc= 0 K(o=0,f=-0.7) USER MOD Single : A 10 GLN :FLIP amide:sc= -0.343 F(o=-2.3,f=-0.34) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ -120:sc= -0.0102 (180deg=-0.636) USER MOD Single : A 31 GLN : amide:sc= -2.38! C(o=-2.4!,f=-6.3!) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= -0.0282 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ -135:sc= 0 (180deg=-0.775) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= 0 K(o=0,f=-0.7) USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=-0.021) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 83 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 SER OG : rot -170:sc= 0 USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 THR OG1 : rot 76:sc= 0.199 USER MOD Single : A 93 THR OG1 : rot 82:sc= 1.25 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 103 THR OG1 : rot -135:sc=-0.00173 USER MOD Single : A 110 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 112 TYR OH : rot 180:sc= 0 USER MOD Single : A 113 LYS NZ :NH3+ -118:sc= -0.348 (180deg=-1.42!) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 SER OG : rot -35:sc= 0.779 USER MOD Single : A 120 TYR OH : rot 102:sc= -0.591 USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD Single : A 129 TYR OH : rot 180:sc= 0 USER MOD Single : A 130 GLN : amide:sc= -0.21 K(o=-0.21,f=-2.3!) USER MOD Single : A 134 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -17.211 23.925 6.493 1.00 0.00 N ATOM 2 CA GLY A 1 -16.472 23.375 5.372 1.00 0.00 C ATOM 3 C GLY A 1 -17.160 22.172 4.758 1.00 0.00 C ATOM 4 O GLY A 1 -18.367 21.991 4.917 1.00 0.00 O ATOM 0 H1 GLY A 1 -17.363 24.943 6.343 1.00 0.00 H new ATOM 0 H2 GLY A 1 -18.130 23.445 6.572 1.00 0.00 H new ATOM 0 H3 GLY A 1 -16.670 23.782 7.369 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -16.346 24.145 4.611 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -15.474 23.089 5.704 1.00 0.00 H new ATOM 8 N SER A 2 -16.391 21.347 4.055 1.00 0.00 N ATOM 9 CA SER A 2 -16.935 20.157 3.411 1.00 0.00 C ATOM 10 C SER A 2 -17.706 19.302 4.412 1.00 0.00 C ATOM 11 O SER A 2 -18.802 18.823 4.121 1.00 0.00 O ATOM 12 CB SER A 2 -15.810 19.334 2.780 1.00 0.00 C ATOM 13 OG SER A 2 -16.306 18.119 2.245 1.00 0.00 O ATOM 0 H SER A 2 -15.389 21.481 3.917 1.00 0.00 H new ATOM 0 HA SER A 2 -17.623 20.479 2.629 1.00 0.00 H new ATOM 0 HB2 SER A 2 -15.330 19.913 1.991 1.00 0.00 H new ATOM 0 HB3 SER A 2 -15.047 19.121 3.529 1.00 0.00 H new ATOM 0 HG SER A 2 -15.568 17.612 1.846 1.00 0.00 H new ATOM 19 N SER A 3 -17.125 19.115 5.592 1.00 0.00 N ATOM 20 CA SER A 3 -17.755 18.315 6.636 1.00 0.00 C ATOM 21 C SER A 3 -19.174 18.803 6.913 1.00 0.00 C ATOM 22 O SER A 3 -19.375 19.893 7.445 1.00 0.00 O ATOM 23 CB SER A 3 -16.926 18.370 7.921 1.00 0.00 C ATOM 24 OG SER A 3 -17.189 17.249 8.746 1.00 0.00 O ATOM 0 H SER A 3 -16.219 19.506 5.849 1.00 0.00 H new ATOM 0 HA SER A 3 -17.805 17.283 6.288 1.00 0.00 H new ATOM 0 HB2 SER A 3 -15.865 18.401 7.672 1.00 0.00 H new ATOM 0 HB3 SER A 3 -17.153 19.287 8.465 1.00 0.00 H new ATOM 0 HG SER A 3 -16.646 17.307 9.560 1.00 0.00 H new ATOM 30 N GLY A 4 -20.156 17.985 6.546 1.00 0.00 N ATOM 31 CA GLY A 4 -21.544 18.349 6.762 1.00 0.00 C ATOM 32 C GLY A 4 -22.406 18.100 5.540 1.00 0.00 C ATOM 33 O GLY A 4 -23.455 17.463 5.631 1.00 0.00 O ATOM 0 H GLY A 4 -20.015 17.077 6.103 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -21.939 17.780 7.603 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -21.602 19.403 7.035 1.00 0.00 H new ATOM 37 N SER A 5 -21.962 18.604 4.392 1.00 0.00 N ATOM 38 CA SER A 5 -22.703 18.438 3.147 1.00 0.00 C ATOM 39 C SER A 5 -22.310 17.138 2.451 1.00 0.00 C ATOM 40 O SER A 5 -23.147 16.262 2.230 1.00 0.00 O ATOM 41 CB SER A 5 -22.450 19.625 2.216 1.00 0.00 C ATOM 42 OG SER A 5 -23.201 20.757 2.618 1.00 0.00 O ATOM 0 H SER A 5 -21.093 19.130 4.299 1.00 0.00 H new ATOM 0 HA SER A 5 -23.765 18.395 3.388 1.00 0.00 H new ATOM 0 HB2 SER A 5 -21.388 19.871 2.215 1.00 0.00 H new ATOM 0 HB3 SER A 5 -22.715 19.353 1.194 1.00 0.00 H new ATOM 0 HG SER A 5 -23.021 21.503 2.008 1.00 0.00 H new ATOM 48 N SER A 6 -21.032 17.020 2.108 1.00 0.00 N ATOM 49 CA SER A 6 -20.527 15.830 1.434 1.00 0.00 C ATOM 50 C SER A 6 -20.246 14.715 2.437 1.00 0.00 C ATOM 51 O SER A 6 -19.691 14.955 3.509 1.00 0.00 O ATOM 52 CB SER A 6 -19.255 16.161 0.652 1.00 0.00 C ATOM 53 OG SER A 6 -19.564 16.686 -0.627 1.00 0.00 O ATOM 0 H SER A 6 -20.326 17.735 2.286 1.00 0.00 H new ATOM 0 HA SER A 6 -21.292 15.485 0.739 1.00 0.00 H new ATOM 0 HB2 SER A 6 -18.659 16.883 1.210 1.00 0.00 H new ATOM 0 HB3 SER A 6 -18.648 15.263 0.543 1.00 0.00 H new ATOM 0 HG SER A 6 -18.734 16.891 -1.106 1.00 0.00 H new ATOM 59 N GLY A 7 -20.634 13.495 2.080 1.00 0.00 N ATOM 60 CA GLY A 7 -20.416 12.360 2.958 1.00 0.00 C ATOM 61 C GLY A 7 -19.202 11.544 2.561 1.00 0.00 C ATOM 62 O GLY A 7 -18.623 11.758 1.496 1.00 0.00 O ATOM 0 H GLY A 7 -21.096 13.272 1.198 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -20.293 12.715 3.981 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -21.299 11.721 2.946 1.00 0.00 H new ATOM 66 N SER A 8 -18.815 10.605 3.419 1.00 0.00 N ATOM 67 CA SER A 8 -17.659 9.757 3.154 1.00 0.00 C ATOM 68 C SER A 8 -17.788 9.071 1.798 1.00 0.00 C ATOM 69 O SER A 8 -16.825 8.993 1.036 1.00 0.00 O ATOM 70 CB SER A 8 -17.506 8.708 4.257 1.00 0.00 C ATOM 71 OG SER A 8 -17.393 9.319 5.530 1.00 0.00 O ATOM 0 H SER A 8 -19.285 10.413 4.303 1.00 0.00 H new ATOM 0 HA SER A 8 -16.771 10.389 3.138 1.00 0.00 H new ATOM 0 HB2 SER A 8 -18.365 8.037 4.247 1.00 0.00 H new ATOM 0 HB3 SER A 8 -16.624 8.098 4.063 1.00 0.00 H new ATOM 0 HG SER A 8 -17.298 8.627 6.218 1.00 0.00 H new ATOM 77 N GLN A 9 -18.986 8.574 1.504 1.00 0.00 N ATOM 78 CA GLN A 9 -19.241 7.893 0.241 1.00 0.00 C ATOM 79 C GLN A 9 -18.566 8.622 -0.917 1.00 0.00 C ATOM 80 O GLN A 9 -17.982 7.996 -1.800 1.00 0.00 O ATOM 81 CB GLN A 9 -20.746 7.792 -0.013 1.00 0.00 C ATOM 82 CG GLN A 9 -21.096 7.192 -1.366 1.00 0.00 C ATOM 83 CD GLN A 9 -22.574 6.883 -1.502 1.00 0.00 C ATOM 84 OE1 GLN A 9 -23.387 7.308 -0.681 1.00 0.00 O ATOM 85 NE2 GLN A 9 -22.930 6.141 -2.544 1.00 0.00 N ATOM 0 H GLN A 9 -19.794 8.631 2.124 1.00 0.00 H new ATOM 0 HA GLN A 9 -18.822 6.889 0.308 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -21.199 7.186 0.772 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -21.186 8.787 0.059 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -20.799 7.884 -2.154 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -20.522 6.277 -1.513 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -22.222 5.810 -3.200 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -23.911 5.902 -2.689 1.00 0.00 H new ATOM 94 N GLN A 10 -18.653 9.949 -0.905 1.00 0.00 N ATOM 95 CA GLN A 10 -18.051 10.762 -1.955 1.00 0.00 C ATOM 96 C GLN A 10 -16.530 10.651 -1.926 1.00 0.00 C ATOM 97 O GLN A 10 -15.898 10.387 -2.949 1.00 0.00 O ATOM 98 CB GLN A 10 -18.470 12.225 -1.799 1.00 0.00 C ATOM 99 CG GLN A 10 -19.970 12.443 -1.908 1.00 0.00 C ATOM 100 CD GLN A 10 -20.596 11.643 -3.034 1.00 0.00 C ATOM 101 OE1 GLN A 10 -20.869 10.369 -2.774 1.00 0.00 O flip ATOM 102 NE2 GLN A 10 -20.831 12.162 -4.125 1.00 0.00 N flip ATOM 0 H GLN A 10 -19.134 10.483 -0.181 1.00 0.00 H new ATOM 0 HA GLN A 10 -18.406 10.390 -2.916 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -18.127 12.591 -0.831 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -17.968 12.821 -2.561 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -20.443 12.168 -0.965 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -20.169 13.503 -2.066 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -20.605 13.144 -4.282 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -21.252 11.610 -4.872 1.00 0.00 H new ATOM 111 N ARG A 11 -15.949 10.853 -0.748 1.00 0.00 N ATOM 112 CA ARG A 11 -14.503 10.776 -0.586 1.00 0.00 C ATOM 113 C ARG A 11 -13.966 9.447 -1.109 1.00 0.00 C ATOM 114 O ARG A 11 -13.028 9.414 -1.906 1.00 0.00 O ATOM 115 CB ARG A 11 -14.123 10.948 0.886 1.00 0.00 C ATOM 116 CG ARG A 11 -12.728 11.517 1.093 1.00 0.00 C ATOM 117 CD ARG A 11 -12.629 12.285 2.401 1.00 0.00 C ATOM 118 NE ARG A 11 -13.272 13.594 2.318 1.00 0.00 N ATOM 119 CZ ARG A 11 -12.852 14.663 2.985 1.00 0.00 C ATOM 120 NH1 ARG A 11 -11.794 14.579 3.781 1.00 0.00 N ATOM 121 NH2 ARG A 11 -13.489 15.820 2.857 1.00 0.00 N ATOM 0 H ARG A 11 -16.458 11.071 0.108 1.00 0.00 H new ATOM 0 HA ARG A 11 -14.055 11.582 -1.167 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -14.849 11.605 1.365 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -14.190 9.981 1.385 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -11.999 10.707 1.089 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -12.476 12.176 0.263 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -13.092 11.704 3.198 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -11.580 12.413 2.668 1.00 0.00 H new ATOM 0 HE ARG A 11 -14.088 13.692 1.715 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -11.301 13.692 3.882 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -11.474 15.402 4.292 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -14.303 15.889 2.246 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -13.165 16.640 3.370 1.00 0.00 H new ATOM 135 N VAL A 12 -14.569 8.352 -0.656 1.00 0.00 N ATOM 136 CA VAL A 12 -14.153 7.020 -1.078 1.00 0.00 C ATOM 137 C VAL A 12 -13.832 6.992 -2.568 1.00 0.00 C ATOM 138 O VAL A 12 -12.734 6.607 -2.971 1.00 0.00 O ATOM 139 CB VAL A 12 -15.240 5.971 -0.778 1.00 0.00 C ATOM 140 CG1 VAL A 12 -14.797 4.594 -1.247 1.00 0.00 C ATOM 141 CG2 VAL A 12 -15.571 5.957 0.707 1.00 0.00 C ATOM 0 H VAL A 12 -15.347 8.362 0.003 1.00 0.00 H new ATOM 0 HA VAL A 12 -13.255 6.774 -0.511 1.00 0.00 H new ATOM 0 HB VAL A 12 -16.143 6.242 -1.326 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -15.578 3.866 -1.027 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -14.615 4.617 -2.321 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -13.880 4.311 -0.730 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -16.341 5.210 0.901 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -14.675 5.711 1.277 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -15.935 6.939 1.008 1.00 0.00 H new ATOM 151 N LYS A 13 -14.797 7.401 -3.384 1.00 0.00 N ATOM 152 CA LYS A 13 -14.619 7.425 -4.831 1.00 0.00 C ATOM 153 C LYS A 13 -13.288 8.070 -5.204 1.00 0.00 C ATOM 154 O LYS A 13 -12.607 7.621 -6.126 1.00 0.00 O ATOM 155 CB LYS A 13 -15.770 8.184 -5.495 1.00 0.00 C ATOM 156 CG LYS A 13 -15.843 7.983 -6.999 1.00 0.00 C ATOM 157 CD LYS A 13 -16.691 6.775 -7.360 1.00 0.00 C ATOM 158 CE LYS A 13 -16.598 6.452 -8.843 1.00 0.00 C ATOM 159 NZ LYS A 13 -16.983 5.042 -9.128 1.00 0.00 N ATOM 0 H LYS A 13 -15.712 7.721 -3.067 1.00 0.00 H new ATOM 0 HA LYS A 13 -14.617 6.396 -5.189 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -16.711 7.864 -5.048 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -15.662 9.248 -5.284 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -16.261 8.875 -7.466 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -14.837 7.855 -7.399 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -16.365 5.913 -6.778 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -17.730 6.966 -7.093 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -17.246 7.126 -9.403 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -15.580 6.628 -9.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -16.907 4.861 -10.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -16.348 4.398 -8.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -17.963 4.881 -8.820 1.00 0.00 H new ATOM 173 N ARG A 14 -12.924 9.125 -4.482 1.00 0.00 N ATOM 174 CA ARG A 14 -11.675 9.831 -4.738 1.00 0.00 C ATOM 175 C ARG A 14 -10.502 8.857 -4.802 1.00 0.00 C ATOM 176 O ARG A 14 -9.541 9.074 -5.540 1.00 0.00 O ATOM 177 CB ARG A 14 -11.423 10.878 -3.651 1.00 0.00 C ATOM 178 CG ARG A 14 -10.586 12.055 -4.121 1.00 0.00 C ATOM 179 CD ARG A 14 -11.329 12.892 -5.150 1.00 0.00 C ATOM 180 NE ARG A 14 -10.568 14.074 -5.547 1.00 0.00 N ATOM 181 CZ ARG A 14 -10.361 14.424 -6.812 1.00 0.00 C ATOM 182 NH1 ARG A 14 -10.856 13.687 -7.797 1.00 0.00 N ATOM 183 NH2 ARG A 14 -9.659 15.514 -7.094 1.00 0.00 N ATOM 0 H ARG A 14 -13.476 9.509 -3.715 1.00 0.00 H new ATOM 0 HA ARG A 14 -11.762 10.332 -5.702 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -12.381 11.248 -3.285 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -10.923 10.401 -2.808 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -10.321 12.678 -3.267 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -9.653 11.691 -4.552 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -11.538 12.283 -6.030 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -12.291 13.201 -4.740 1.00 0.00 H new ATOM 0 HE ARG A 14 -10.174 14.663 -4.813 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -11.397 12.849 -7.585 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -10.696 13.958 -8.767 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -9.278 16.084 -6.339 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -9.501 15.782 -8.065 1.00 0.00 H new ATOM 197 N TRP A 15 -10.589 7.783 -4.025 1.00 0.00 N ATOM 198 CA TRP A 15 -9.535 6.776 -3.993 1.00 0.00 C ATOM 199 C TRP A 15 -9.589 5.892 -5.234 1.00 0.00 C ATOM 200 O TRP A 15 -8.919 4.863 -5.304 1.00 0.00 O ATOM 201 CB TRP A 15 -9.661 5.917 -2.734 1.00 0.00 C ATOM 202 CG TRP A 15 -10.059 6.698 -1.518 1.00 0.00 C ATOM 203 CD1 TRP A 15 -9.720 7.989 -1.227 1.00 0.00 C ATOM 204 CD2 TRP A 15 -10.868 6.239 -0.430 1.00 0.00 C ATOM 205 NE1 TRP A 15 -10.271 8.359 -0.023 1.00 0.00 N ATOM 206 CE2 TRP A 15 -10.980 7.303 0.485 1.00 0.00 C ATOM 207 CE3 TRP A 15 -11.511 5.032 -0.142 1.00 0.00 C ATOM 208 CZ2 TRP A 15 -11.708 7.195 1.667 1.00 0.00 C ATOM 209 CZ3 TRP A 15 -12.233 4.926 1.032 1.00 0.00 C ATOM 210 CH2 TRP A 15 -12.327 6.002 1.925 1.00 0.00 C ATOM 0 H TRP A 15 -11.378 7.587 -3.409 1.00 0.00 H new ATOM 0 HA TRP A 15 -8.575 7.291 -3.979 1.00 0.00 H new ATOM 0 HB2 TRP A 15 -10.397 5.133 -2.910 1.00 0.00 H new ATOM 0 HB3 TRP A 15 -8.708 5.423 -2.544 1.00 0.00 H new ATOM 0 HD1 TRP A 15 -9.109 8.625 -1.851 1.00 0.00 H new ATOM 0 HE1 TRP A 15 -10.168 9.272 0.420 1.00 0.00 H new ATOM 0 HE3 TRP A 15 -11.445 4.197 -0.824 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 -11.782 8.023 2.356 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -12.733 3.998 1.265 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -12.899 5.888 2.834 1.00 0.00 H new ATOM 221 N GLY A 16 -10.392 6.301 -6.212 1.00 0.00 N ATOM 222 CA GLY A 16 -10.517 5.534 -7.438 1.00 0.00 C ATOM 223 C GLY A 16 -9.712 6.125 -8.577 1.00 0.00 C ATOM 224 O GLY A 16 -9.767 5.636 -9.706 1.00 0.00 O ATOM 0 H GLY A 16 -10.958 7.149 -6.177 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -10.188 4.511 -7.258 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -11.567 5.485 -7.727 1.00 0.00 H new ATOM 228 N PHE A 17 -8.961 7.182 -8.283 1.00 0.00 N ATOM 229 CA PHE A 17 -8.143 7.843 -9.293 1.00 0.00 C ATOM 230 C PHE A 17 -6.687 7.926 -8.843 1.00 0.00 C ATOM 231 O PHE A 17 -6.327 8.764 -8.018 1.00 0.00 O ATOM 232 CB PHE A 17 -8.681 9.247 -9.577 1.00 0.00 C ATOM 233 CG PHE A 17 -10.181 9.323 -9.585 1.00 0.00 C ATOM 234 CD1 PHE A 17 -10.904 8.886 -10.683 1.00 0.00 C ATOM 235 CD2 PHE A 17 -10.868 9.833 -8.495 1.00 0.00 C ATOM 236 CE1 PHE A 17 -12.285 8.955 -10.694 1.00 0.00 C ATOM 237 CE2 PHE A 17 -12.248 9.904 -8.500 1.00 0.00 C ATOM 238 CZ PHE A 17 -12.957 9.465 -9.601 1.00 0.00 C ATOM 0 H PHE A 17 -8.902 7.599 -7.354 1.00 0.00 H new ATOM 0 HA PHE A 17 -8.190 7.252 -10.207 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -8.294 9.935 -8.825 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -8.303 9.584 -10.542 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -10.383 8.487 -11.541 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -10.319 10.179 -7.632 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -12.837 8.611 -11.556 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -12.772 10.302 -7.644 1.00 0.00 H new ATOM 0 HZ PHE A 17 -14.036 9.521 -9.607 1.00 0.00 H new ATOM 248 N GLY A 18 -5.853 7.048 -9.393 1.00 0.00 N ATOM 249 CA GLY A 18 -4.446 7.037 -9.036 1.00 0.00 C ATOM 250 C GLY A 18 -4.227 6.858 -7.547 1.00 0.00 C ATOM 251 O GLY A 18 -5.152 7.021 -6.753 1.00 0.00 O ATOM 0 H GLY A 18 -6.127 6.345 -10.079 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -3.944 6.232 -9.573 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -3.985 7.971 -9.358 1.00 0.00 H new ATOM 255 N MET A 19 -2.999 6.519 -7.169 1.00 0.00 N ATOM 256 CA MET A 19 -2.661 6.316 -5.764 1.00 0.00 C ATOM 257 C MET A 19 -2.538 7.651 -5.037 1.00 0.00 C ATOM 258 O MET A 19 -3.029 7.808 -3.919 1.00 0.00 O ATOM 259 CB MET A 19 -1.354 5.532 -5.640 1.00 0.00 C ATOM 260 CG MET A 19 -1.030 5.111 -4.216 1.00 0.00 C ATOM 261 SD MET A 19 0.245 3.839 -4.139 1.00 0.00 S ATOM 262 CE MET A 19 1.619 4.689 -4.913 1.00 0.00 C ATOM 0 H MET A 19 -2.222 6.379 -7.815 1.00 0.00 H new ATOM 0 HA MET A 19 -3.465 5.743 -5.301 1.00 0.00 H new ATOM 0 HB2 MET A 19 -1.412 4.643 -6.268 1.00 0.00 H new ATOM 0 HB3 MET A 19 -0.536 6.142 -6.025 1.00 0.00 H new ATOM 0 HG2 MET A 19 -0.702 5.983 -3.650 1.00 0.00 H new ATOM 0 HG3 MET A 19 -1.936 4.741 -3.736 1.00 0.00 H new ATOM 0 HE1 MET A 19 1.923 4.149 -5.810 1.00 0.00 H new ATOM 0 HE2 MET A 19 1.315 5.700 -5.184 1.00 0.00 H new ATOM 0 HE3 MET A 19 2.456 4.736 -4.217 1.00 0.00 H new ATOM 272 N ASP A 20 -1.878 8.610 -5.678 1.00 0.00 N ATOM 273 CA ASP A 20 -1.691 9.932 -5.092 1.00 0.00 C ATOM 274 C ASP A 20 -2.886 10.317 -4.225 1.00 0.00 C ATOM 275 O ASP A 20 -2.722 10.840 -3.123 1.00 0.00 O ATOM 276 CB ASP A 20 -1.485 10.976 -6.190 1.00 0.00 C ATOM 277 CG ASP A 20 -1.296 12.373 -5.633 1.00 0.00 C ATOM 278 OD1 ASP A 20 -2.310 13.023 -5.303 1.00 0.00 O ATOM 279 OD2 ASP A 20 -0.134 12.817 -5.527 1.00 0.00 O ATOM 0 H ASP A 20 -1.464 8.496 -6.603 1.00 0.00 H new ATOM 0 HA ASP A 20 -0.803 9.899 -4.461 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -0.614 10.705 -6.786 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -2.345 10.969 -6.860 1.00 0.00 H new ATOM 284 N GLU A 21 -4.086 10.055 -4.731 1.00 0.00 N ATOM 285 CA GLU A 21 -5.309 10.375 -4.003 1.00 0.00 C ATOM 286 C GLU A 21 -5.408 9.557 -2.720 1.00 0.00 C ATOM 287 O GLU A 21 -5.464 10.109 -1.621 1.00 0.00 O ATOM 288 CB GLU A 21 -6.534 10.118 -4.882 1.00 0.00 C ATOM 289 CG GLU A 21 -6.586 10.989 -6.126 1.00 0.00 C ATOM 290 CD GLU A 21 -6.241 12.437 -5.839 1.00 0.00 C ATOM 291 OE1 GLU A 21 -7.163 13.212 -5.510 1.00 0.00 O ATOM 292 OE2 GLU A 21 -5.049 12.795 -5.942 1.00 0.00 O ATOM 0 H GLU A 21 -4.238 9.622 -5.642 1.00 0.00 H new ATOM 0 HA GLU A 21 -5.278 11.432 -3.737 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -6.542 9.070 -5.182 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -7.435 10.287 -4.293 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -5.894 10.595 -6.870 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -7.584 10.936 -6.560 1.00 0.00 H new ATOM 299 N ALA A 22 -5.429 8.236 -2.867 1.00 0.00 N ATOM 300 CA ALA A 22 -5.521 7.341 -1.721 1.00 0.00 C ATOM 301 C ALA A 22 -4.550 7.757 -0.621 1.00 0.00 C ATOM 302 O ALA A 22 -4.917 7.821 0.554 1.00 0.00 O ATOM 303 CB ALA A 22 -5.252 5.906 -2.149 1.00 0.00 C ATOM 0 H ALA A 22 -5.383 7.762 -3.769 1.00 0.00 H new ATOM 0 HA ALA A 22 -6.533 7.406 -1.321 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -5.324 5.248 -1.283 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -5.987 5.605 -2.895 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -4.252 5.835 -2.576 1.00 0.00 H new ATOM 309 N LEU A 23 -3.310 8.037 -1.007 1.00 0.00 N ATOM 310 CA LEU A 23 -2.286 8.447 -0.053 1.00 0.00 C ATOM 311 C LEU A 23 -2.726 9.685 0.721 1.00 0.00 C ATOM 312 O LEU A 23 -2.661 9.719 1.950 1.00 0.00 O ATOM 313 CB LEU A 23 -0.968 8.726 -0.778 1.00 0.00 C ATOM 314 CG LEU A 23 -0.501 7.651 -1.759 1.00 0.00 C ATOM 315 CD1 LEU A 23 0.557 8.209 -2.698 1.00 0.00 C ATOM 316 CD2 LEU A 23 0.034 6.440 -1.008 1.00 0.00 C ATOM 0 H LEU A 23 -2.990 7.988 -1.974 1.00 0.00 H new ATOM 0 HA LEU A 23 -2.138 7.632 0.656 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -1.067 9.666 -1.321 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -0.188 8.870 -0.030 1.00 0.00 H new ATOM 0 HG LEU A 23 -1.356 7.334 -2.356 1.00 0.00 H new ATOM 0 HD11 LEU A 23 0.878 7.430 -3.389 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.140 9.044 -3.261 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.413 8.554 -2.118 1.00 0.00 H new ATOM 0 HD21 LEU A 23 0.362 5.685 -1.722 1.00 0.00 H new ATOM 0 HD22 LEU A 23 0.877 6.741 -0.386 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -0.753 6.026 -0.378 1.00 0.00 H new ATOM 328 N LYS A 24 -3.177 10.702 -0.006 1.00 0.00 N ATOM 329 CA LYS A 24 -3.632 11.942 0.610 1.00 0.00 C ATOM 330 C LYS A 24 -4.492 11.656 1.837 1.00 0.00 C ATOM 331 O LYS A 24 -4.162 12.071 2.948 1.00 0.00 O ATOM 332 CB LYS A 24 -4.426 12.776 -0.398 1.00 0.00 C ATOM 333 CG LYS A 24 -3.559 13.437 -1.456 1.00 0.00 C ATOM 334 CD LYS A 24 -4.238 14.660 -2.049 1.00 0.00 C ATOM 335 CE LYS A 24 -5.307 14.270 -3.058 1.00 0.00 C ATOM 336 NZ LYS A 24 -6.618 14.005 -2.403 1.00 0.00 N ATOM 0 H LYS A 24 -3.237 10.691 -1.024 1.00 0.00 H new ATOM 0 HA LYS A 24 -2.753 12.505 0.926 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -5.159 12.136 -0.889 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -4.982 13.546 0.137 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -2.605 13.727 -1.016 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -3.341 12.721 -2.248 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -4.688 15.251 -1.251 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -3.493 15.292 -2.532 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -5.422 15.068 -3.792 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -4.986 13.381 -3.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -6.910 13.026 -2.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -6.528 14.144 -1.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -7.333 14.660 -2.780 1.00 0.00 H new ATOM 350 N ASP A 25 -5.594 10.944 1.629 1.00 0.00 N ATOM 351 CA ASP A 25 -6.499 10.600 2.719 1.00 0.00 C ATOM 352 C ASP A 25 -5.881 9.540 3.625 1.00 0.00 C ATOM 353 O ASP A 25 -5.148 8.657 3.179 1.00 0.00 O ATOM 354 CB ASP A 25 -7.833 10.098 2.163 1.00 0.00 C ATOM 355 CG ASP A 25 -8.731 11.230 1.702 1.00 0.00 C ATOM 356 OD1 ASP A 25 -8.214 12.182 1.080 1.00 0.00 O ATOM 357 OD2 ASP A 25 -9.950 11.163 1.963 1.00 0.00 O ATOM 0 H ASP A 25 -5.882 10.594 0.715 1.00 0.00 H new ATOM 0 HA ASP A 25 -6.675 11.499 3.310 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -7.644 9.424 1.327 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -8.348 9.519 2.929 1.00 0.00 H new ATOM 362 N PRO A 26 -6.181 9.628 4.930 1.00 0.00 N ATOM 363 CA PRO A 26 -5.665 8.685 5.926 1.00 0.00 C ATOM 364 C PRO A 26 -6.274 7.295 5.780 1.00 0.00 C ATOM 365 O PRO A 26 -5.560 6.293 5.750 1.00 0.00 O ATOM 366 CB PRO A 26 -6.081 9.314 7.258 1.00 0.00 C ATOM 367 CG PRO A 26 -7.272 10.146 6.929 1.00 0.00 C ATOM 368 CD PRO A 26 -7.048 10.655 5.532 1.00 0.00 C ATOM 0 HA PRO A 26 -4.590 8.535 5.826 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -6.323 8.551 7.997 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -5.278 9.920 7.677 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -8.188 9.557 6.988 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -7.378 10.971 7.633 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -7.986 10.759 4.987 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -6.570 11.634 5.533 1.00 0.00 H new ATOM 376 N VAL A 27 -7.599 7.242 5.688 1.00 0.00 N ATOM 377 CA VAL A 27 -8.305 5.974 5.542 1.00 0.00 C ATOM 378 C VAL A 27 -7.925 5.280 4.239 1.00 0.00 C ATOM 379 O VAL A 27 -7.644 4.083 4.221 1.00 0.00 O ATOM 380 CB VAL A 27 -9.832 6.174 5.579 1.00 0.00 C ATOM 381 CG1 VAL A 27 -10.549 4.852 5.356 1.00 0.00 C ATOM 382 CG2 VAL A 27 -10.254 6.804 6.898 1.00 0.00 C ATOM 0 H VAL A 27 -8.205 8.062 5.712 1.00 0.00 H new ATOM 0 HA VAL A 27 -8.008 5.348 6.383 1.00 0.00 H new ATOM 0 HB VAL A 27 -10.113 6.852 4.773 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -11.627 5.013 5.386 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -10.269 4.446 4.384 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -10.266 4.148 6.138 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -11.336 6.938 6.907 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -9.962 6.153 7.722 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -9.767 7.773 7.011 1.00 0.00 H new ATOM 392 N GLY A 28 -7.919 6.042 3.149 1.00 0.00 N ATOM 393 CA GLY A 28 -7.572 5.483 1.856 1.00 0.00 C ATOM 394 C GLY A 28 -6.218 4.803 1.862 1.00 0.00 C ATOM 395 O GLY A 28 -5.970 3.890 1.075 1.00 0.00 O ATOM 0 H GLY A 28 -8.148 7.036 3.139 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -8.335 4.764 1.558 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -7.573 6.276 1.109 1.00 0.00 H new ATOM 399 N ARG A 29 -5.338 5.249 2.753 1.00 0.00 N ATOM 400 CA ARG A 29 -4.000 4.679 2.857 1.00 0.00 C ATOM 401 C ARG A 29 -4.056 3.257 3.407 1.00 0.00 C ATOM 402 O ARG A 29 -3.440 2.344 2.857 1.00 0.00 O ATOM 403 CB ARG A 29 -3.119 5.550 3.754 1.00 0.00 C ATOM 404 CG ARG A 29 -2.366 6.635 3.001 1.00 0.00 C ATOM 405 CD ARG A 29 -1.368 7.346 3.901 1.00 0.00 C ATOM 406 NE ARG A 29 -2.030 8.135 4.937 1.00 0.00 N ATOM 407 CZ ARG A 29 -1.671 8.117 6.216 1.00 0.00 C ATOM 408 NH1 ARG A 29 -0.661 7.356 6.614 1.00 0.00 N ATOM 409 NH2 ARG A 29 -2.322 8.863 7.099 1.00 0.00 N ATOM 0 H ARG A 29 -5.528 6.003 3.413 1.00 0.00 H new ATOM 0 HA ARG A 29 -3.568 4.647 1.857 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -3.741 6.015 4.518 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -2.401 4.914 4.271 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -1.843 6.194 2.152 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -3.075 7.359 2.598 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -0.713 6.610 4.368 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -0.736 7.998 3.298 1.00 0.00 H new ATOM 0 HE ARG A 29 -2.810 8.732 4.664 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -0.157 6.782 5.938 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -0.388 7.344 7.597 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -3.099 9.451 6.796 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -2.046 8.849 8.081 1.00 0.00 H new ATOM 423 N GLU A 30 -4.798 3.078 4.495 1.00 0.00 N ATOM 424 CA GLU A 30 -4.932 1.767 5.119 1.00 0.00 C ATOM 425 C GLU A 30 -5.779 0.837 4.255 1.00 0.00 C ATOM 426 O GLU A 30 -5.444 -0.333 4.072 1.00 0.00 O ATOM 427 CB GLU A 30 -5.558 1.901 6.509 1.00 0.00 C ATOM 428 CG GLU A 30 -7.078 1.891 6.495 1.00 0.00 C ATOM 429 CD GLU A 30 -7.675 2.085 7.876 1.00 0.00 C ATOM 430 OE1 GLU A 30 -7.510 3.185 8.444 1.00 0.00 O ATOM 431 OE2 GLU A 30 -8.307 1.138 8.388 1.00 0.00 O ATOM 0 H GLU A 30 -5.315 3.823 4.962 1.00 0.00 H new ATOM 0 HA GLU A 30 -3.936 1.336 5.217 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -5.203 1.085 7.138 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -5.213 2.829 6.966 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -7.437 2.680 5.834 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -7.428 0.945 6.082 1.00 0.00 H new ATOM 438 N GLN A 31 -6.879 1.366 3.729 1.00 0.00 N ATOM 439 CA GLN A 31 -7.775 0.584 2.886 1.00 0.00 C ATOM 440 C GLN A 31 -7.007 -0.088 1.752 1.00 0.00 C ATOM 441 O GLN A 31 -7.012 -1.312 1.624 1.00 0.00 O ATOM 442 CB GLN A 31 -8.878 1.475 2.313 1.00 0.00 C ATOM 443 CG GLN A 31 -9.857 1.980 3.360 1.00 0.00 C ATOM 444 CD GLN A 31 -10.658 0.862 3.998 1.00 0.00 C ATOM 445 OE1 GLN A 31 -11.704 0.462 3.485 1.00 0.00 O ATOM 446 NE2 GLN A 31 -10.171 0.351 5.123 1.00 0.00 N ATOM 0 H GLN A 31 -7.171 2.333 3.872 1.00 0.00 H new ATOM 0 HA GLN A 31 -8.229 -0.192 3.503 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -8.421 2.329 1.813 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -9.426 0.917 1.554 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -9.310 2.517 4.134 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -10.540 2.694 2.899 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -9.301 0.713 5.513 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -10.667 -0.403 5.597 1.00 0.00 H new ATOM 455 N PHE A 32 -6.347 0.722 0.930 1.00 0.00 N ATOM 456 CA PHE A 32 -5.576 0.207 -0.195 1.00 0.00 C ATOM 457 C PHE A 32 -4.568 -0.840 0.271 1.00 0.00 C ATOM 458 O PHE A 32 -4.289 -1.809 -0.437 1.00 0.00 O ATOM 459 CB PHE A 32 -4.849 1.349 -0.909 1.00 0.00 C ATOM 460 CG PHE A 32 -3.899 0.882 -1.974 1.00 0.00 C ATOM 461 CD1 PHE A 32 -4.363 0.176 -3.073 1.00 0.00 C ATOM 462 CD2 PHE A 32 -2.543 1.148 -1.877 1.00 0.00 C ATOM 463 CE1 PHE A 32 -3.491 -0.255 -4.055 1.00 0.00 C ATOM 464 CE2 PHE A 32 -1.666 0.720 -2.856 1.00 0.00 C ATOM 465 CZ PHE A 32 -2.141 0.018 -3.947 1.00 0.00 C ATOM 0 H PHE A 32 -6.331 1.738 1.022 1.00 0.00 H new ATOM 0 HA PHE A 32 -6.268 -0.265 -0.892 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -5.587 2.014 -1.358 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -4.298 1.934 -0.173 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -5.417 -0.040 -3.163 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -2.166 1.696 -1.026 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -3.865 -0.805 -4.906 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -0.611 0.934 -2.768 1.00 0.00 H new ATOM 0 HZ PHE A 32 -1.458 -0.317 -4.714 1.00 0.00 H new ATOM 475 N LEU A 33 -4.024 -0.638 1.466 1.00 0.00 N ATOM 476 CA LEU A 33 -3.046 -1.563 2.028 1.00 0.00 C ATOM 477 C LEU A 33 -3.682 -2.918 2.317 1.00 0.00 C ATOM 478 O LEU A 33 -3.203 -3.953 1.854 1.00 0.00 O ATOM 479 CB LEU A 33 -2.445 -0.984 3.310 1.00 0.00 C ATOM 480 CG LEU A 33 -1.797 -1.990 4.261 1.00 0.00 C ATOM 481 CD1 LEU A 33 -0.327 -2.178 3.919 1.00 0.00 C ATOM 482 CD2 LEU A 33 -1.956 -1.539 5.706 1.00 0.00 C ATOM 0 H LEU A 33 -4.244 0.158 2.065 1.00 0.00 H new ATOM 0 HA LEU A 33 -2.252 -1.704 1.294 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -1.696 -0.241 3.033 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -3.232 -0.458 3.851 1.00 0.00 H new ATOM 0 HG LEU A 33 -2.302 -2.948 4.143 1.00 0.00 H new ATOM 0 HD11 LEU A 33 0.117 -2.898 4.607 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -0.235 -2.548 2.898 1.00 0.00 H new ATOM 0 HD13 LEU A 33 0.192 -1.224 4.007 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -1.488 -2.268 6.368 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -1.478 -0.569 5.839 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -3.016 -1.457 5.947 1.00 0.00 H new ATOM 494 N LYS A 34 -4.767 -2.905 3.085 1.00 0.00 N ATOM 495 CA LYS A 34 -5.473 -4.132 3.435 1.00 0.00 C ATOM 496 C LYS A 34 -5.435 -5.129 2.281 1.00 0.00 C ATOM 497 O LYS A 34 -4.983 -6.263 2.441 1.00 0.00 O ATOM 498 CB LYS A 34 -6.924 -3.821 3.807 1.00 0.00 C ATOM 499 CG LYS A 34 -7.060 -2.877 4.989 1.00 0.00 C ATOM 500 CD LYS A 34 -8.438 -2.973 5.624 1.00 0.00 C ATOM 501 CE LYS A 34 -8.497 -2.219 6.943 1.00 0.00 C ATOM 502 NZ LYS A 34 -8.097 -3.078 8.092 1.00 0.00 N ATOM 0 H LYS A 34 -5.177 -2.057 3.477 1.00 0.00 H new ATOM 0 HA LYS A 34 -4.972 -4.578 4.294 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -7.426 -3.384 2.944 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -7.439 -4.754 4.036 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -6.299 -3.112 5.733 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -6.880 -1.853 4.661 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -9.184 -2.570 4.939 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -8.691 -4.020 5.791 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -7.841 -1.350 6.894 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -9.509 -1.846 7.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -8.151 -2.527 8.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -8.738 -3.894 8.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -7.122 -3.413 7.952 1.00 0.00 H new ATOM 516 N PHE A 35 -5.911 -4.699 1.117 1.00 0.00 N ATOM 517 CA PHE A 35 -5.931 -5.553 -0.064 1.00 0.00 C ATOM 518 C PHE A 35 -4.530 -6.061 -0.392 1.00 0.00 C ATOM 519 O PHE A 35 -4.309 -7.265 -0.528 1.00 0.00 O ATOM 520 CB PHE A 35 -6.503 -4.792 -1.261 1.00 0.00 C ATOM 521 CG PHE A 35 -6.398 -5.545 -2.557 1.00 0.00 C ATOM 522 CD1 PHE A 35 -7.406 -6.407 -2.956 1.00 0.00 C ATOM 523 CD2 PHE A 35 -5.290 -5.391 -3.374 1.00 0.00 C ATOM 524 CE1 PHE A 35 -7.313 -7.101 -4.148 1.00 0.00 C ATOM 525 CE2 PHE A 35 -5.191 -6.082 -4.567 1.00 0.00 C ATOM 526 CZ PHE A 35 -6.203 -6.939 -4.954 1.00 0.00 C ATOM 0 H PHE A 35 -6.288 -3.763 0.967 1.00 0.00 H new ATOM 0 HA PHE A 35 -6.569 -6.411 0.150 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -7.551 -4.562 -1.068 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -5.981 -3.840 -1.360 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -8.275 -6.539 -2.328 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -4.495 -4.724 -3.076 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -8.107 -7.769 -4.449 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -4.323 -5.952 -5.196 1.00 0.00 H new ATOM 0 HZ PHE A 35 -6.126 -7.481 -5.885 1.00 0.00 H new ATOM 536 N LEU A 36 -3.586 -5.134 -0.519 1.00 0.00 N ATOM 537 CA LEU A 36 -2.205 -5.485 -0.831 1.00 0.00 C ATOM 538 C LEU A 36 -1.772 -6.728 -0.060 1.00 0.00 C ATOM 539 O LEU A 36 -1.251 -7.680 -0.641 1.00 0.00 O ATOM 540 CB LEU A 36 -1.274 -4.317 -0.503 1.00 0.00 C ATOM 541 CG LEU A 36 -0.942 -3.377 -1.663 1.00 0.00 C ATOM 542 CD1 LEU A 36 -2.209 -2.969 -2.399 1.00 0.00 C ATOM 543 CD2 LEU A 36 -0.198 -2.150 -1.158 1.00 0.00 C ATOM 0 H LEU A 36 -3.752 -4.133 -0.411 1.00 0.00 H new ATOM 0 HA LEU A 36 -2.143 -5.702 -1.897 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -1.728 -3.730 0.296 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -0.341 -4.721 -0.111 1.00 0.00 H new ATOM 0 HG LEU A 36 -0.295 -3.907 -2.362 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -1.953 -2.300 -3.221 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -2.702 -3.857 -2.794 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -2.881 -2.457 -1.710 1.00 0.00 H new ATOM 0 HD21 LEU A 36 0.030 -1.492 -1.997 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -0.820 -1.618 -0.438 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.730 -2.460 -0.677 1.00 0.00 H new ATOM 555 N GLU A 37 -1.993 -6.712 1.250 1.00 0.00 N ATOM 556 CA GLU A 37 -1.626 -7.839 2.100 1.00 0.00 C ATOM 557 C GLU A 37 -2.093 -9.157 1.488 1.00 0.00 C ATOM 558 O GLU A 37 -1.395 -10.168 1.557 1.00 0.00 O ATOM 559 CB GLU A 37 -2.228 -7.671 3.497 1.00 0.00 C ATOM 560 CG GLU A 37 -1.635 -6.512 4.280 1.00 0.00 C ATOM 561 CD GLU A 37 -2.223 -6.387 5.672 1.00 0.00 C ATOM 562 OE1 GLU A 37 -3.408 -6.007 5.783 1.00 0.00 O ATOM 563 OE2 GLU A 37 -1.499 -6.668 6.650 1.00 0.00 O ATOM 0 H GLU A 37 -2.424 -5.932 1.746 1.00 0.00 H new ATOM 0 HA GLU A 37 -0.539 -7.861 2.181 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -3.304 -7.523 3.404 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -2.080 -8.592 4.060 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -0.556 -6.644 4.356 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -1.805 -5.584 3.733 1.00 0.00 H new ATOM 570 N SER A 38 -3.280 -9.137 0.890 1.00 0.00 N ATOM 571 CA SER A 38 -3.844 -10.330 0.269 1.00 0.00 C ATOM 572 C SER A 38 -3.047 -10.725 -0.971 1.00 0.00 C ATOM 573 O SER A 38 -2.646 -11.878 -1.121 1.00 0.00 O ATOM 574 CB SER A 38 -5.308 -10.092 -0.105 1.00 0.00 C ATOM 575 OG SER A 38 -6.135 -10.094 1.045 1.00 0.00 O ATOM 0 H SER A 38 -3.870 -8.308 0.822 1.00 0.00 H new ATOM 0 HA SER A 38 -3.789 -11.146 0.990 1.00 0.00 H new ATOM 0 HB2 SER A 38 -5.404 -9.138 -0.624 1.00 0.00 H new ATOM 0 HB3 SER A 38 -5.640 -10.866 -0.797 1.00 0.00 H new ATOM 0 HG SER A 38 -7.065 -9.938 0.779 1.00 0.00 H new ATOM 581 N GLU A 39 -2.824 -9.758 -1.856 1.00 0.00 N ATOM 582 CA GLU A 39 -2.076 -10.005 -3.083 1.00 0.00 C ATOM 583 C GLU A 39 -0.574 -9.991 -2.817 1.00 0.00 C ATOM 584 O GLU A 39 0.231 -9.896 -3.744 1.00 0.00 O ATOM 585 CB GLU A 39 -2.428 -8.957 -4.141 1.00 0.00 C ATOM 586 CG GLU A 39 -1.933 -7.561 -3.802 1.00 0.00 C ATOM 587 CD GLU A 39 -1.651 -6.727 -5.037 1.00 0.00 C ATOM 588 OE1 GLU A 39 -0.924 -7.214 -5.928 1.00 0.00 O ATOM 589 OE2 GLU A 39 -2.156 -5.587 -5.111 1.00 0.00 O ATOM 0 H GLU A 39 -3.150 -8.798 -1.746 1.00 0.00 H new ATOM 0 HA GLU A 39 -2.352 -10.992 -3.454 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -2.004 -9.262 -5.098 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -3.510 -8.929 -4.267 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -2.678 -7.054 -3.188 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -1.025 -7.637 -3.204 1.00 0.00 H new ATOM 596 N PHE A 40 -0.203 -10.086 -1.545 1.00 0.00 N ATOM 597 CA PHE A 40 1.202 -10.083 -1.156 1.00 0.00 C ATOM 598 C PHE A 40 1.932 -8.887 -1.762 1.00 0.00 C ATOM 599 O PHE A 40 3.057 -9.013 -2.246 1.00 0.00 O ATOM 600 CB PHE A 40 1.878 -11.383 -1.595 1.00 0.00 C ATOM 601 CG PHE A 40 1.035 -12.605 -1.363 1.00 0.00 C ATOM 602 CD1 PHE A 40 1.085 -13.278 -0.154 1.00 0.00 C ATOM 603 CD2 PHE A 40 0.193 -13.079 -2.356 1.00 0.00 C ATOM 604 CE1 PHE A 40 0.311 -14.402 0.063 1.00 0.00 C ATOM 605 CE2 PHE A 40 -0.584 -14.203 -2.145 1.00 0.00 C ATOM 606 CZ PHE A 40 -0.524 -14.866 -0.935 1.00 0.00 C ATOM 0 H PHE A 40 -0.856 -10.166 -0.766 1.00 0.00 H new ATOM 0 HA PHE A 40 1.252 -10.005 -0.070 1.00 0.00 H new ATOM 0 HB2 PHE A 40 2.123 -11.316 -2.655 1.00 0.00 H new ATOM 0 HB3 PHE A 40 2.820 -11.493 -1.057 1.00 0.00 H new ATOM 0 HD1 PHE A 40 1.737 -12.920 0.629 1.00 0.00 H new ATOM 0 HD2 PHE A 40 0.143 -12.565 -3.305 1.00 0.00 H new ATOM 0 HE1 PHE A 40 0.359 -14.917 1.011 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -1.238 -14.562 -2.926 1.00 0.00 H new ATOM 0 HZ PHE A 40 -1.129 -15.745 -0.769 1.00 0.00 H new ATOM 616 N SER A 41 1.282 -7.728 -1.732 1.00 0.00 N ATOM 617 CA SER A 41 1.866 -6.510 -2.283 1.00 0.00 C ATOM 618 C SER A 41 2.164 -5.503 -1.176 1.00 0.00 C ATOM 619 O SER A 41 2.860 -4.512 -1.395 1.00 0.00 O ATOM 620 CB SER A 41 0.923 -5.888 -3.314 1.00 0.00 C ATOM 621 OG SER A 41 1.368 -4.600 -3.700 1.00 0.00 O ATOM 0 H SER A 41 0.351 -7.606 -1.332 1.00 0.00 H new ATOM 0 HA SER A 41 2.803 -6.774 -2.773 1.00 0.00 H new ATOM 0 HB2 SER A 41 0.861 -6.533 -4.191 1.00 0.00 H new ATOM 0 HB3 SER A 41 -0.082 -5.819 -2.898 1.00 0.00 H new ATOM 0 HG SER A 41 0.822 -4.275 -4.446 1.00 0.00 H new ATOM 627 N SER A 42 1.631 -5.765 0.013 1.00 0.00 N ATOM 628 CA SER A 42 1.836 -4.880 1.154 1.00 0.00 C ATOM 629 C SER A 42 3.276 -4.377 1.200 1.00 0.00 C ATOM 630 O SER A 42 3.531 -3.224 1.545 1.00 0.00 O ATOM 631 CB SER A 42 1.494 -5.605 2.457 1.00 0.00 C ATOM 632 OG SER A 42 2.524 -6.506 2.823 1.00 0.00 O ATOM 0 H SER A 42 1.054 -6.583 0.211 1.00 0.00 H new ATOM 0 HA SER A 42 1.174 -4.022 1.040 1.00 0.00 H new ATOM 0 HB2 SER A 42 1.343 -4.877 3.254 1.00 0.00 H new ATOM 0 HB3 SER A 42 0.556 -6.148 2.340 1.00 0.00 H new ATOM 0 HG SER A 42 2.283 -6.956 3.660 1.00 0.00 H new ATOM 638 N GLU A 43 4.213 -5.253 0.850 1.00 0.00 N ATOM 639 CA GLU A 43 5.627 -4.899 0.852 1.00 0.00 C ATOM 640 C GLU A 43 5.902 -3.746 -0.109 1.00 0.00 C ATOM 641 O GLU A 43 6.677 -2.841 0.195 1.00 0.00 O ATOM 642 CB GLU A 43 6.480 -6.110 0.470 1.00 0.00 C ATOM 643 CG GLU A 43 5.952 -6.870 -0.735 1.00 0.00 C ATOM 644 CD GLU A 43 6.992 -7.787 -1.349 1.00 0.00 C ATOM 645 OE1 GLU A 43 7.582 -8.597 -0.603 1.00 0.00 O ATOM 646 OE2 GLU A 43 7.218 -7.694 -2.573 1.00 0.00 O ATOM 0 H GLU A 43 4.018 -6.212 0.562 1.00 0.00 H new ATOM 0 HA GLU A 43 5.893 -4.580 1.860 1.00 0.00 H new ATOM 0 HB2 GLU A 43 7.497 -5.777 0.262 1.00 0.00 H new ATOM 0 HB3 GLU A 43 6.535 -6.788 1.321 1.00 0.00 H new ATOM 0 HG2 GLU A 43 5.085 -7.459 -0.437 1.00 0.00 H new ATOM 0 HG3 GLU A 43 5.611 -6.159 -1.487 1.00 0.00 H new ATOM 653 N ASN A 44 5.260 -3.788 -1.272 1.00 0.00 N ATOM 654 CA ASN A 44 5.434 -2.749 -2.280 1.00 0.00 C ATOM 655 C ASN A 44 5.156 -1.369 -1.692 1.00 0.00 C ATOM 656 O ASN A 44 6.001 -0.475 -1.751 1.00 0.00 O ATOM 657 CB ASN A 44 4.509 -3.004 -3.472 1.00 0.00 C ATOM 658 CG ASN A 44 4.798 -4.327 -4.155 1.00 0.00 C ATOM 659 OD1 ASN A 44 5.519 -5.170 -3.621 1.00 0.00 O ATOM 660 ND2 ASN A 44 4.235 -4.514 -5.343 1.00 0.00 N ATOM 0 H ASN A 44 4.614 -4.531 -1.540 1.00 0.00 H new ATOM 0 HA ASN A 44 6.469 -2.778 -2.620 1.00 0.00 H new ATOM 0 HB2 ASN A 44 3.473 -2.992 -3.134 1.00 0.00 H new ATOM 0 HB3 ASN A 44 4.619 -2.194 -4.193 1.00 0.00 H new ATOM 0 HD21 ASN A 44 4.393 -5.384 -5.851 1.00 0.00 H new ATOM 0 HD22 ASN A 44 3.644 -3.787 -5.748 1.00 0.00 H new ATOM 667 N LEU A 45 3.966 -1.203 -1.125 1.00 0.00 N ATOM 668 CA LEU A 45 3.575 0.068 -0.525 1.00 0.00 C ATOM 669 C LEU A 45 4.337 0.315 0.773 1.00 0.00 C ATOM 670 O LEU A 45 4.995 1.343 0.932 1.00 0.00 O ATOM 671 CB LEU A 45 2.069 0.086 -0.257 1.00 0.00 C ATOM 672 CG LEU A 45 1.520 1.352 0.403 1.00 0.00 C ATOM 673 CD1 LEU A 45 1.518 2.510 -0.582 1.00 0.00 C ATOM 674 CD2 LEU A 45 0.119 1.106 0.944 1.00 0.00 C ATOM 0 H LEU A 45 3.255 -1.932 -1.068 1.00 0.00 H new ATOM 0 HA LEU A 45 3.823 0.864 -1.227 1.00 0.00 H new ATOM 0 HB2 LEU A 45 1.550 -0.060 -1.204 1.00 0.00 H new ATOM 0 HB3 LEU A 45 1.823 -0.766 0.377 1.00 0.00 H new ATOM 0 HG LEU A 45 2.169 1.615 1.238 1.00 0.00 H new ATOM 0 HD11 LEU A 45 1.124 3.402 -0.094 1.00 0.00 H new ATOM 0 HD12 LEU A 45 2.536 2.701 -0.921 1.00 0.00 H new ATOM 0 HD13 LEU A 45 0.892 2.258 -1.438 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.256 2.017 1.410 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -0.542 0.818 0.126 1.00 0.00 H new ATOM 0 HD23 LEU A 45 0.150 0.306 1.684 1.00 0.00 H new ATOM 686 N ARG A 46 4.246 -0.636 1.696 1.00 0.00 N ATOM 687 CA ARG A 46 4.927 -0.523 2.980 1.00 0.00 C ATOM 688 C ARG A 46 6.295 0.133 2.813 1.00 0.00 C ATOM 689 O ARG A 46 6.671 1.014 3.586 1.00 0.00 O ATOM 690 CB ARG A 46 5.087 -1.903 3.621 1.00 0.00 C ATOM 691 CG ARG A 46 3.865 -2.355 4.404 1.00 0.00 C ATOM 692 CD ARG A 46 4.196 -3.511 5.335 1.00 0.00 C ATOM 693 NE ARG A 46 4.608 -3.048 6.657 1.00 0.00 N ATOM 694 CZ ARG A 46 5.362 -3.763 7.484 1.00 0.00 C ATOM 695 NH1 ARG A 46 5.785 -4.968 7.127 1.00 0.00 N ATOM 696 NH2 ARG A 46 5.695 -3.273 8.672 1.00 0.00 N ATOM 0 H ARG A 46 3.707 -1.494 1.579 1.00 0.00 H new ATOM 0 HA ARG A 46 4.318 0.104 3.632 1.00 0.00 H new ATOM 0 HB2 ARG A 46 5.300 -2.634 2.841 1.00 0.00 H new ATOM 0 HB3 ARG A 46 5.950 -1.887 4.287 1.00 0.00 H new ATOM 0 HG2 ARG A 46 3.474 -1.519 4.985 1.00 0.00 H new ATOM 0 HG3 ARG A 46 3.079 -2.657 3.712 1.00 0.00 H new ATOM 0 HD2 ARG A 46 3.325 -4.158 5.433 1.00 0.00 H new ATOM 0 HD3 ARG A 46 4.993 -4.113 4.897 1.00 0.00 H new ATOM 0 HE ARG A 46 4.300 -2.125 6.962 1.00 0.00 H new ATOM 0 HH11 ARG A 46 5.531 -5.348 6.215 1.00 0.00 H new ATOM 0 HH12 ARG A 46 6.364 -5.515 7.764 1.00 0.00 H new ATOM 0 HH21 ARG A 46 5.372 -2.347 8.950 1.00 0.00 H new ATOM 0 HH22 ARG A 46 6.274 -3.823 9.306 1.00 0.00 H new ATOM 710 N PHE A 47 7.035 -0.304 1.800 1.00 0.00 N ATOM 711 CA PHE A 47 8.362 0.240 1.532 1.00 0.00 C ATOM 712 C PHE A 47 8.276 1.706 1.119 1.00 0.00 C ATOM 713 O PHE A 47 9.019 2.548 1.623 1.00 0.00 O ATOM 714 CB PHE A 47 9.056 -0.571 0.436 1.00 0.00 C ATOM 715 CG PHE A 47 10.167 0.174 -0.248 1.00 0.00 C ATOM 716 CD1 PHE A 47 11.242 0.661 0.478 1.00 0.00 C ATOM 717 CD2 PHE A 47 10.137 0.387 -1.617 1.00 0.00 C ATOM 718 CE1 PHE A 47 12.265 1.348 -0.148 1.00 0.00 C ATOM 719 CE2 PHE A 47 11.157 1.073 -2.249 1.00 0.00 C ATOM 720 CZ PHE A 47 12.223 1.553 -1.513 1.00 0.00 C ATOM 0 H PHE A 47 6.739 -1.033 1.151 1.00 0.00 H new ATOM 0 HA PHE A 47 8.947 0.174 2.449 1.00 0.00 H new ATOM 0 HB2 PHE A 47 9.457 -1.486 0.871 1.00 0.00 H new ATOM 0 HB3 PHE A 47 8.317 -0.869 -0.308 1.00 0.00 H new ATOM 0 HD1 PHE A 47 11.281 0.502 1.546 1.00 0.00 H new ATOM 0 HD2 PHE A 47 9.307 0.012 -2.197 1.00 0.00 H new ATOM 0 HE1 PHE A 47 13.096 1.724 0.430 1.00 0.00 H new ATOM 0 HE2 PHE A 47 11.121 1.233 -3.316 1.00 0.00 H new ATOM 0 HZ PHE A 47 13.022 2.088 -2.004 1.00 0.00 H new ATOM 730 N TRP A 48 7.365 2.003 0.200 1.00 0.00 N ATOM 731 CA TRP A 48 7.182 3.367 -0.282 1.00 0.00 C ATOM 732 C TRP A 48 6.979 4.332 0.881 1.00 0.00 C ATOM 733 O TRP A 48 7.758 5.268 1.067 1.00 0.00 O ATOM 734 CB TRP A 48 5.986 3.438 -1.233 1.00 0.00 C ATOM 735 CG TRP A 48 5.938 4.705 -2.033 1.00 0.00 C ATOM 736 CD1 TRP A 48 6.701 5.016 -3.122 1.00 0.00 C ATOM 737 CD2 TRP A 48 5.083 5.830 -1.805 1.00 0.00 C ATOM 738 NE1 TRP A 48 6.372 6.267 -3.585 1.00 0.00 N ATOM 739 CE2 TRP A 48 5.381 6.787 -2.795 1.00 0.00 C ATOM 740 CE3 TRP A 48 4.092 6.121 -0.863 1.00 0.00 C ATOM 741 CZ2 TRP A 48 4.725 8.013 -2.866 1.00 0.00 C ATOM 742 CZ3 TRP A 48 3.442 7.338 -0.935 1.00 0.00 C ATOM 743 CH2 TRP A 48 3.760 8.272 -1.930 1.00 0.00 C ATOM 0 H TRP A 48 6.741 1.318 -0.227 1.00 0.00 H new ATOM 0 HA TRP A 48 8.083 3.659 -0.820 1.00 0.00 H new ATOM 0 HB2 TRP A 48 6.021 2.588 -1.914 1.00 0.00 H new ATOM 0 HB3 TRP A 48 5.066 3.346 -0.656 1.00 0.00 H new ATOM 0 HD1 TRP A 48 7.453 4.373 -3.556 1.00 0.00 H new ATOM 0 HE1 TRP A 48 6.797 6.733 -4.387 1.00 0.00 H new ATOM 0 HE3 TRP A 48 3.839 5.407 -0.093 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 4.969 8.734 -3.632 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 2.675 7.574 -0.212 1.00 0.00 H new ATOM 0 HH2 TRP A 48 3.234 9.215 -1.959 1.00 0.00 H new ATOM 754 N LEU A 49 5.930 4.100 1.661 1.00 0.00 N ATOM 755 CA LEU A 49 5.625 4.949 2.808 1.00 0.00 C ATOM 756 C LEU A 49 6.837 5.083 3.724 1.00 0.00 C ATOM 757 O LEU A 49 7.249 6.190 4.067 1.00 0.00 O ATOM 758 CB LEU A 49 4.441 4.379 3.590 1.00 0.00 C ATOM 759 CG LEU A 49 3.080 4.455 2.897 1.00 0.00 C ATOM 760 CD1 LEU A 49 2.097 3.490 3.543 1.00 0.00 C ATOM 761 CD2 LEU A 49 2.539 5.877 2.939 1.00 0.00 C ATOM 0 H LEU A 49 5.275 3.331 1.521 1.00 0.00 H new ATOM 0 HA LEU A 49 5.363 5.939 2.436 1.00 0.00 H new ATOM 0 HB2 LEU A 49 4.652 3.334 3.819 1.00 0.00 H new ATOM 0 HB3 LEU A 49 4.372 4.906 4.541 1.00 0.00 H new ATOM 0 HG LEU A 49 3.208 4.167 1.854 1.00 0.00 H new ATOM 0 HD11 LEU A 49 1.134 3.558 3.037 1.00 0.00 H new ATOM 0 HD12 LEU A 49 2.479 2.472 3.461 1.00 0.00 H new ATOM 0 HD13 LEU A 49 1.973 3.747 4.595 1.00 0.00 H new ATOM 0 HD21 LEU A 49 1.570 5.912 2.441 1.00 0.00 H new ATOM 0 HD22 LEU A 49 2.426 6.193 3.976 1.00 0.00 H new ATOM 0 HD23 LEU A 49 3.233 6.546 2.430 1.00 0.00 H new ATOM 773 N ALA A 50 7.405 3.947 4.115 1.00 0.00 N ATOM 774 CA ALA A 50 8.573 3.937 4.987 1.00 0.00 C ATOM 775 C ALA A 50 9.550 5.045 4.609 1.00 0.00 C ATOM 776 O ALA A 50 10.102 5.722 5.477 1.00 0.00 O ATOM 777 CB ALA A 50 9.262 2.582 4.931 1.00 0.00 C ATOM 0 H ALA A 50 7.075 3.021 3.842 1.00 0.00 H new ATOM 0 HA ALA A 50 8.235 4.119 6.007 1.00 0.00 H new ATOM 0 HB1 ALA A 50 10.132 2.589 5.587 1.00 0.00 H new ATOM 0 HB2 ALA A 50 8.568 1.807 5.257 1.00 0.00 H new ATOM 0 HB3 ALA A 50 9.580 2.377 3.909 1.00 0.00 H new ATOM 783 N VAL A 51 9.759 5.225 3.309 1.00 0.00 N ATOM 784 CA VAL A 51 10.669 6.252 2.816 1.00 0.00 C ATOM 785 C VAL A 51 10.196 7.645 3.217 1.00 0.00 C ATOM 786 O VAL A 51 10.948 8.421 3.804 1.00 0.00 O ATOM 787 CB VAL A 51 10.808 6.190 1.283 1.00 0.00 C ATOM 788 CG1 VAL A 51 11.752 7.276 0.789 1.00 0.00 C ATOM 789 CG2 VAL A 51 11.290 4.815 0.848 1.00 0.00 C ATOM 0 H VAL A 51 9.310 4.673 2.578 1.00 0.00 H new ATOM 0 HA VAL A 51 11.641 6.057 3.270 1.00 0.00 H new ATOM 0 HB VAL A 51 9.828 6.364 0.838 1.00 0.00 H new ATOM 0 HG11 VAL A 51 11.838 7.217 -0.296 1.00 0.00 H new ATOM 0 HG12 VAL A 51 11.360 8.254 1.069 1.00 0.00 H new ATOM 0 HG13 VAL A 51 12.735 7.136 1.239 1.00 0.00 H new ATOM 0 HG21 VAL A 51 11.383 4.789 -0.238 1.00 0.00 H new ATOM 0 HG22 VAL A 51 12.260 4.610 1.300 1.00 0.00 H new ATOM 0 HG23 VAL A 51 10.573 4.060 1.169 1.00 0.00 H new ATOM 799 N GLU A 52 8.943 7.953 2.895 1.00 0.00 N ATOM 800 CA GLU A 52 8.370 9.253 3.222 1.00 0.00 C ATOM 801 C GLU A 52 8.603 9.598 4.690 1.00 0.00 C ATOM 802 O GLU A 52 9.108 10.673 5.014 1.00 0.00 O ATOM 803 CB GLU A 52 6.870 9.265 2.917 1.00 0.00 C ATOM 804 CG GLU A 52 6.542 9.697 1.497 1.00 0.00 C ATOM 805 CD GLU A 52 6.639 11.198 1.307 1.00 0.00 C ATOM 806 OE1 GLU A 52 6.545 11.932 2.313 1.00 0.00 O ATOM 807 OE2 GLU A 52 6.810 11.639 0.151 1.00 0.00 O ATOM 0 H GLU A 52 8.307 7.321 2.409 1.00 0.00 H new ATOM 0 HA GLU A 52 8.866 10.004 2.607 1.00 0.00 H new ATOM 0 HB2 GLU A 52 6.465 8.267 3.087 1.00 0.00 H new ATOM 0 HB3 GLU A 52 6.371 9.935 3.616 1.00 0.00 H new ATOM 0 HG2 GLU A 52 7.223 9.202 0.804 1.00 0.00 H new ATOM 0 HG3 GLU A 52 5.534 9.367 1.244 1.00 0.00 H new ATOM 814 N ASP A 53 8.232 8.678 5.574 1.00 0.00 N ATOM 815 CA ASP A 53 8.401 8.883 7.008 1.00 0.00 C ATOM 816 C ASP A 53 9.879 8.991 7.371 1.00 0.00 C ATOM 817 O ASP A 53 10.286 9.900 8.096 1.00 0.00 O ATOM 818 CB ASP A 53 7.754 7.737 7.788 1.00 0.00 C ATOM 819 CG ASP A 53 7.369 8.142 9.197 1.00 0.00 C ATOM 820 OD1 ASP A 53 6.340 8.831 9.356 1.00 0.00 O ATOM 821 OD2 ASP A 53 8.097 7.769 10.142 1.00 0.00 O ATOM 0 H ASP A 53 7.812 7.783 5.323 1.00 0.00 H new ATOM 0 HA ASP A 53 7.910 9.818 7.277 1.00 0.00 H new ATOM 0 HB2 ASP A 53 6.866 7.395 7.256 1.00 0.00 H new ATOM 0 HB3 ASP A 53 8.445 6.895 7.831 1.00 0.00 H new ATOM 826 N LEU A 54 10.677 8.058 6.863 1.00 0.00 N ATOM 827 CA LEU A 54 12.111 8.048 7.135 1.00 0.00 C ATOM 828 C LEU A 54 12.668 9.467 7.173 1.00 0.00 C ATOM 829 O LEU A 54 13.330 9.860 8.134 1.00 0.00 O ATOM 830 CB LEU A 54 12.845 7.228 6.072 1.00 0.00 C ATOM 831 CG LEU A 54 14.368 7.356 6.060 1.00 0.00 C ATOM 832 CD1 LEU A 54 14.960 6.821 7.354 1.00 0.00 C ATOM 833 CD2 LEU A 54 14.955 6.626 4.861 1.00 0.00 C ATOM 0 H LEU A 54 10.356 7.299 6.261 1.00 0.00 H new ATOM 0 HA LEU A 54 12.268 7.590 8.112 1.00 0.00 H new ATOM 0 HB2 LEU A 54 12.590 6.178 6.212 1.00 0.00 H new ATOM 0 HB3 LEU A 54 12.468 7.520 5.092 1.00 0.00 H new ATOM 0 HG LEU A 54 14.623 8.412 5.978 1.00 0.00 H new ATOM 0 HD11 LEU A 54 16.045 6.921 7.326 1.00 0.00 H new ATOM 0 HD12 LEU A 54 14.565 7.388 8.197 1.00 0.00 H new ATOM 0 HD13 LEU A 54 14.695 5.770 7.468 1.00 0.00 H new ATOM 0 HD21 LEU A 54 16.040 6.728 4.869 1.00 0.00 H new ATOM 0 HD22 LEU A 54 14.689 5.570 4.912 1.00 0.00 H new ATOM 0 HD23 LEU A 54 14.557 7.056 3.942 1.00 0.00 H new ATOM 845 N LYS A 55 12.394 10.234 6.123 1.00 0.00 N ATOM 846 CA LYS A 55 12.864 11.611 6.037 1.00 0.00 C ATOM 847 C LYS A 55 12.486 12.394 7.291 1.00 0.00 C ATOM 848 O LYS A 55 13.338 13.014 7.928 1.00 0.00 O ATOM 849 CB LYS A 55 12.278 12.295 4.800 1.00 0.00 C ATOM 850 CG LYS A 55 12.531 11.537 3.508 1.00 0.00 C ATOM 851 CD LYS A 55 11.645 12.042 2.382 1.00 0.00 C ATOM 852 CE LYS A 55 11.356 10.947 1.366 1.00 0.00 C ATOM 853 NZ LYS A 55 10.660 11.478 0.162 1.00 0.00 N ATOM 0 H LYS A 55 11.848 9.924 5.319 1.00 0.00 H new ATOM 0 HA LYS A 55 13.951 11.593 5.954 1.00 0.00 H new ATOM 0 HB2 LYS A 55 11.203 12.415 4.936 1.00 0.00 H new ATOM 0 HB3 LYS A 55 12.702 13.295 4.713 1.00 0.00 H new ATOM 0 HG2 LYS A 55 13.578 11.641 3.223 1.00 0.00 H new ATOM 0 HG3 LYS A 55 12.348 10.474 3.667 1.00 0.00 H new ATOM 0 HD2 LYS A 55 10.707 12.414 2.794 1.00 0.00 H new ATOM 0 HD3 LYS A 55 12.130 12.882 1.885 1.00 0.00 H new ATOM 0 HE2 LYS A 55 12.291 10.474 1.066 1.00 0.00 H new ATOM 0 HE3 LYS A 55 10.742 10.174 1.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 10.481 10.701 -0.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 9.756 11.907 0.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 11.256 12.197 -0.295 1.00 0.00 H new ATOM 867 N LYS A 56 11.205 12.360 7.640 1.00 0.00 N ATOM 868 CA LYS A 56 10.714 13.064 8.819 1.00 0.00 C ATOM 869 C LYS A 56 11.621 12.812 10.020 1.00 0.00 C ATOM 870 O LYS A 56 11.949 13.734 10.766 1.00 0.00 O ATOM 871 CB LYS A 56 9.285 12.623 9.144 1.00 0.00 C ATOM 872 CG LYS A 56 8.311 12.826 7.997 1.00 0.00 C ATOM 873 CD LYS A 56 7.876 14.278 7.884 1.00 0.00 C ATOM 874 CE LYS A 56 7.144 14.540 6.577 1.00 0.00 C ATOM 875 NZ LYS A 56 5.793 13.915 6.563 1.00 0.00 N ATOM 0 H LYS A 56 10.487 11.852 7.123 1.00 0.00 H new ATOM 0 HA LYS A 56 10.717 14.132 8.601 1.00 0.00 H new ATOM 0 HB2 LYS A 56 9.293 11.569 9.421 1.00 0.00 H new ATOM 0 HB3 LYS A 56 8.931 13.178 10.013 1.00 0.00 H new ATOM 0 HG2 LYS A 56 8.777 12.511 7.063 1.00 0.00 H new ATOM 0 HG3 LYS A 56 7.436 12.194 8.146 1.00 0.00 H new ATOM 0 HD2 LYS A 56 7.227 14.531 8.723 1.00 0.00 H new ATOM 0 HD3 LYS A 56 8.749 14.927 7.950 1.00 0.00 H new ATOM 0 HE2 LYS A 56 7.048 15.615 6.424 1.00 0.00 H new ATOM 0 HE3 LYS A 56 7.733 14.151 5.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 5.327 14.117 5.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 5.885 12.886 6.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 5.222 14.305 7.340 1.00 0.00 H new ATOM 889 N ARG A 57 12.022 11.558 10.199 1.00 0.00 N ATOM 890 CA ARG A 57 12.891 11.185 11.309 1.00 0.00 C ATOM 891 C ARG A 57 14.132 12.071 11.349 1.00 0.00 C ATOM 892 O ARG A 57 14.662 12.487 10.318 1.00 0.00 O ATOM 893 CB ARG A 57 13.303 9.717 11.191 1.00 0.00 C ATOM 894 CG ARG A 57 12.130 8.751 11.222 1.00 0.00 C ATOM 895 CD ARG A 57 11.607 8.553 12.636 1.00 0.00 C ATOM 896 NE ARG A 57 10.218 8.103 12.649 1.00 0.00 N ATOM 897 CZ ARG A 57 9.281 8.633 13.427 1.00 0.00 C ATOM 898 NH1 ARG A 57 9.582 9.627 14.250 1.00 0.00 N ATOM 899 NH2 ARG A 57 8.039 8.168 13.381 1.00 0.00 N ATOM 0 H ARG A 57 11.759 10.783 9.590 1.00 0.00 H new ATOM 0 HA ARG A 57 12.335 11.326 12.236 1.00 0.00 H new ATOM 0 HB2 ARG A 57 13.854 9.577 10.261 1.00 0.00 H new ATOM 0 HB3 ARG A 57 13.985 9.473 12.005 1.00 0.00 H new ATOM 0 HG2 ARG A 57 11.329 9.129 10.587 1.00 0.00 H new ATOM 0 HG3 ARG A 57 12.438 7.790 10.809 1.00 0.00 H new ATOM 0 HD2 ARG A 57 12.229 7.823 13.153 1.00 0.00 H new ATOM 0 HD3 ARG A 57 11.690 9.490 13.187 1.00 0.00 H new ATOM 0 HE ARG A 57 9.953 7.340 12.026 1.00 0.00 H new ATOM 0 HH11 ARG A 57 10.536 9.987 14.287 1.00 0.00 H new ATOM 0 HH12 ARG A 57 8.860 10.032 14.846 1.00 0.00 H new ATOM 0 HH21 ARG A 57 7.804 7.403 12.748 1.00 0.00 H new ATOM 0 HH22 ARG A 57 7.320 8.575 13.979 1.00 0.00 H new ATOM 913 N PRO A 58 14.609 12.368 12.567 1.00 0.00 N ATOM 914 CA PRO A 58 15.793 13.208 12.771 1.00 0.00 C ATOM 915 C PRO A 58 17.078 12.514 12.330 1.00 0.00 C ATOM 916 O PRO A 58 17.101 11.300 12.129 1.00 0.00 O ATOM 917 CB PRO A 58 15.805 13.444 14.284 1.00 0.00 C ATOM 918 CG PRO A 58 15.074 12.278 14.855 1.00 0.00 C ATOM 919 CD PRO A 58 14.028 11.907 13.840 1.00 0.00 C ATOM 0 HA PRO A 58 15.748 14.125 12.184 1.00 0.00 H new ATOM 0 HB2 PRO A 58 16.824 13.499 14.668 1.00 0.00 H new ATOM 0 HB3 PRO A 58 15.316 14.383 14.542 1.00 0.00 H new ATOM 0 HG2 PRO A 58 15.752 11.445 15.039 1.00 0.00 H new ATOM 0 HG3 PRO A 58 14.617 12.534 15.811 1.00 0.00 H new ATOM 0 HD2 PRO A 58 13.840 10.833 13.831 1.00 0.00 H new ATOM 0 HD3 PRO A 58 13.076 12.395 14.047 1.00 0.00 H new ATOM 927 N ILE A 59 18.144 13.293 12.183 1.00 0.00 N ATOM 928 CA ILE A 59 19.433 12.753 11.768 1.00 0.00 C ATOM 929 C ILE A 59 19.825 11.551 12.620 1.00 0.00 C ATOM 930 O ILE A 59 20.383 10.574 12.118 1.00 0.00 O ATOM 931 CB ILE A 59 20.544 13.815 11.856 1.00 0.00 C ATOM 932 CG1 ILE A 59 21.863 13.250 11.326 1.00 0.00 C ATOM 933 CG2 ILE A 59 20.706 14.294 13.291 1.00 0.00 C ATOM 934 CD1 ILE A 59 21.885 13.078 9.823 1.00 0.00 C ATOM 0 H ILE A 59 18.141 14.300 12.345 1.00 0.00 H new ATOM 0 HA ILE A 59 19.324 12.440 10.730 1.00 0.00 H new ATOM 0 HB ILE A 59 20.261 14.667 11.238 1.00 0.00 H new ATOM 0 HG12 ILE A 59 22.677 13.912 11.620 1.00 0.00 H new ATOM 0 HG13 ILE A 59 22.051 12.285 11.797 1.00 0.00 H new ATOM 0 HG21 ILE A 59 21.495 15.045 13.337 1.00 0.00 H new ATOM 0 HG22 ILE A 59 19.769 14.731 13.637 1.00 0.00 H new ATOM 0 HG23 ILE A 59 20.970 13.450 13.929 1.00 0.00 H new ATOM 0 HD11 ILE A 59 22.850 12.674 9.517 1.00 0.00 H new ATOM 0 HD12 ILE A 59 21.093 12.392 9.524 1.00 0.00 H new ATOM 0 HD13 ILE A 59 21.728 14.044 9.344 1.00 0.00 H new ATOM 946 N LYS A 60 19.529 11.627 13.913 1.00 0.00 N ATOM 947 CA LYS A 60 19.847 10.545 14.837 1.00 0.00 C ATOM 948 C LYS A 60 19.138 9.257 14.431 1.00 0.00 C ATOM 949 O LYS A 60 19.624 8.159 14.701 1.00 0.00 O ATOM 950 CB LYS A 60 19.449 10.931 16.264 1.00 0.00 C ATOM 951 CG LYS A 60 17.984 11.307 16.406 1.00 0.00 C ATOM 952 CD LYS A 60 17.689 11.891 17.777 1.00 0.00 C ATOM 953 CE LYS A 60 18.227 13.307 17.908 1.00 0.00 C ATOM 954 NZ LYS A 60 17.256 14.318 17.405 1.00 0.00 N ATOM 0 H LYS A 60 19.069 12.428 14.345 1.00 0.00 H new ATOM 0 HA LYS A 60 20.923 10.374 14.800 1.00 0.00 H new ATOM 0 HB2 LYS A 60 19.668 10.097 16.931 1.00 0.00 H new ATOM 0 HB3 LYS A 60 20.064 11.770 16.589 1.00 0.00 H new ATOM 0 HG2 LYS A 60 17.717 12.031 15.636 1.00 0.00 H new ATOM 0 HG3 LYS A 60 17.364 10.425 16.244 1.00 0.00 H new ATOM 0 HD2 LYS A 60 16.613 11.892 17.949 1.00 0.00 H new ATOM 0 HD3 LYS A 60 18.134 11.259 18.546 1.00 0.00 H new ATOM 0 HE2 LYS A 60 18.457 13.513 18.953 1.00 0.00 H new ATOM 0 HE3 LYS A 60 19.161 13.393 17.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 17.754 15.013 16.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 16.523 13.844 16.840 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 16.812 14.804 18.210 1.00 0.00 H new ATOM 968 N GLU A 61 17.987 9.400 13.781 1.00 0.00 N ATOM 969 CA GLU A 61 17.213 8.246 13.338 1.00 0.00 C ATOM 970 C GLU A 61 17.192 8.158 11.814 1.00 0.00 C ATOM 971 O GLU A 61 16.381 7.436 11.234 1.00 0.00 O ATOM 972 CB GLU A 61 15.783 8.327 13.875 1.00 0.00 C ATOM 973 CG GLU A 61 15.673 8.033 15.361 1.00 0.00 C ATOM 974 CD GLU A 61 15.782 6.553 15.673 1.00 0.00 C ATOM 975 OE1 GLU A 61 15.095 5.755 15.002 1.00 0.00 O ATOM 976 OE2 GLU A 61 16.553 6.194 16.586 1.00 0.00 O ATOM 0 H GLU A 61 17.571 10.302 13.550 1.00 0.00 H new ATOM 0 HA GLU A 61 17.690 7.348 13.730 1.00 0.00 H new ATOM 0 HB2 GLU A 61 15.387 9.324 13.680 1.00 0.00 H new ATOM 0 HB3 GLU A 61 15.158 7.623 13.327 1.00 0.00 H new ATOM 0 HG2 GLU A 61 16.457 8.571 15.893 1.00 0.00 H new ATOM 0 HG3 GLU A 61 14.720 8.409 15.732 1.00 0.00 H new ATOM 983 N VAL A 62 18.089 8.899 11.172 1.00 0.00 N ATOM 984 CA VAL A 62 18.174 8.905 9.716 1.00 0.00 C ATOM 985 C VAL A 62 18.837 7.633 9.200 1.00 0.00 C ATOM 986 O VAL A 62 18.257 6.873 8.424 1.00 0.00 O ATOM 987 CB VAL A 62 18.963 10.126 9.206 1.00 0.00 C ATOM 988 CG1 VAL A 62 19.702 9.785 7.920 1.00 0.00 C ATOM 989 CG2 VAL A 62 18.033 11.311 8.997 1.00 0.00 C ATOM 0 H VAL A 62 18.767 9.503 11.637 1.00 0.00 H new ATOM 0 HA VAL A 62 17.153 8.958 9.338 1.00 0.00 H new ATOM 0 HB VAL A 62 19.701 10.401 9.960 1.00 0.00 H new ATOM 0 HG11 VAL A 62 20.254 10.659 7.575 1.00 0.00 H new ATOM 0 HG12 VAL A 62 20.398 8.967 8.106 1.00 0.00 H new ATOM 0 HG13 VAL A 62 18.984 9.484 7.157 1.00 0.00 H new ATOM 0 HG21 VAL A 62 18.607 12.165 8.637 1.00 0.00 H new ATOM 0 HG22 VAL A 62 17.271 11.050 8.263 1.00 0.00 H new ATOM 0 HG23 VAL A 62 17.554 11.569 9.942 1.00 0.00 H new ATOM 999 N PRO A 63 20.081 7.394 9.639 1.00 0.00 N ATOM 1000 CA PRO A 63 20.850 6.213 9.234 1.00 0.00 C ATOM 1001 C PRO A 63 20.288 4.925 9.826 1.00 0.00 C ATOM 1002 O PRO A 63 20.049 3.954 9.109 1.00 0.00 O ATOM 1003 CB PRO A 63 22.248 6.492 9.791 1.00 0.00 C ATOM 1004 CG PRO A 63 22.022 7.415 10.939 1.00 0.00 C ATOM 1005 CD PRO A 63 20.834 8.257 10.564 1.00 0.00 C ATOM 0 HA PRO A 63 20.829 6.063 8.155 1.00 0.00 H new ATOM 0 HB2 PRO A 63 22.737 5.572 10.113 1.00 0.00 H new ATOM 0 HB3 PRO A 63 22.891 6.947 9.038 1.00 0.00 H new ATOM 0 HG2 PRO A 63 21.832 6.858 11.856 1.00 0.00 H new ATOM 0 HG3 PRO A 63 22.899 8.036 11.119 1.00 0.00 H new ATOM 0 HD2 PRO A 63 20.240 8.524 11.438 1.00 0.00 H new ATOM 0 HD3 PRO A 63 21.137 9.189 10.087 1.00 0.00 H new ATOM 1013 N SER A 64 20.080 4.924 11.139 1.00 0.00 N ATOM 1014 CA SER A 64 19.549 3.753 11.827 1.00 0.00 C ATOM 1015 C SER A 64 18.397 3.136 11.040 1.00 0.00 C ATOM 1016 O SER A 64 18.269 1.914 10.961 1.00 0.00 O ATOM 1017 CB SER A 64 19.077 4.132 13.232 1.00 0.00 C ATOM 1018 OG SER A 64 20.162 4.557 14.038 1.00 0.00 O ATOM 0 H SER A 64 20.271 5.720 11.747 1.00 0.00 H new ATOM 0 HA SER A 64 20.348 3.015 11.906 1.00 0.00 H new ATOM 0 HB2 SER A 64 18.335 4.928 13.167 1.00 0.00 H new ATOM 0 HB3 SER A 64 18.588 3.277 13.698 1.00 0.00 H new ATOM 0 HG SER A 64 19.833 4.795 14.930 1.00 0.00 H new ATOM 1024 N ARG A 65 17.560 3.990 10.460 1.00 0.00 N ATOM 1025 CA ARG A 65 16.418 3.530 9.680 1.00 0.00 C ATOM 1026 C ARG A 65 16.848 3.125 8.273 1.00 0.00 C ATOM 1027 O ARG A 65 16.439 2.080 7.765 1.00 0.00 O ATOM 1028 CB ARG A 65 15.352 4.625 9.603 1.00 0.00 C ATOM 1029 CG ARG A 65 14.420 4.653 10.804 1.00 0.00 C ATOM 1030 CD ARG A 65 13.404 3.523 10.748 1.00 0.00 C ATOM 1031 NE ARG A 65 12.332 3.798 9.795 1.00 0.00 N ATOM 1032 CZ ARG A 65 11.243 4.497 10.096 1.00 0.00 C ATOM 1033 NH1 ARG A 65 11.084 4.990 11.316 1.00 0.00 N ATOM 1034 NH2 ARG A 65 10.312 4.706 9.174 1.00 0.00 N ATOM 0 H ARG A 65 17.652 5.004 10.516 1.00 0.00 H new ATOM 0 HA ARG A 65 15.998 2.657 10.179 1.00 0.00 H new ATOM 0 HB2 ARG A 65 15.844 5.594 9.513 1.00 0.00 H new ATOM 0 HB3 ARG A 65 14.761 4.482 8.698 1.00 0.00 H new ATOM 0 HG2 ARG A 65 15.004 4.573 11.721 1.00 0.00 H new ATOM 0 HG3 ARG A 65 13.900 5.610 10.840 1.00 0.00 H new ATOM 0 HD2 ARG A 65 13.907 2.597 10.471 1.00 0.00 H new ATOM 0 HD3 ARG A 65 12.977 3.370 11.739 1.00 0.00 H new ATOM 0 HE ARG A 65 12.424 3.434 8.847 1.00 0.00 H new ATOM 0 HH11 ARG A 65 11.799 4.833 12.027 1.00 0.00 H new ATOM 0 HH12 ARG A 65 10.247 5.526 11.544 1.00 0.00 H new ATOM 0 HH21 ARG A 65 10.432 4.330 8.234 1.00 0.00 H new ATOM 0 HH22 ARG A 65 9.476 5.243 9.406 1.00 0.00 H new ATOM 1048 N VAL A 66 17.674 3.958 7.649 1.00 0.00 N ATOM 1049 CA VAL A 66 18.160 3.686 6.302 1.00 0.00 C ATOM 1050 C VAL A 66 18.343 2.190 6.075 1.00 0.00 C ATOM 1051 O VAL A 66 17.664 1.592 5.240 1.00 0.00 O ATOM 1052 CB VAL A 66 19.497 4.402 6.032 1.00 0.00 C ATOM 1053 CG1 VAL A 66 20.201 3.786 4.833 1.00 0.00 C ATOM 1054 CG2 VAL A 66 19.270 5.891 5.820 1.00 0.00 C ATOM 0 H VAL A 66 18.021 4.827 8.055 1.00 0.00 H new ATOM 0 HA VAL A 66 17.407 4.066 5.612 1.00 0.00 H new ATOM 0 HB VAL A 66 20.139 4.276 6.904 1.00 0.00 H new ATOM 0 HG11 VAL A 66 21.143 4.305 4.658 1.00 0.00 H new ATOM 0 HG12 VAL A 66 20.398 2.732 5.029 1.00 0.00 H new ATOM 0 HG13 VAL A 66 19.567 3.879 3.951 1.00 0.00 H new ATOM 0 HG21 VAL A 66 20.225 6.381 5.631 1.00 0.00 H new ATOM 0 HG22 VAL A 66 18.610 6.040 4.966 1.00 0.00 H new ATOM 0 HG23 VAL A 66 18.813 6.320 6.712 1.00 0.00 H new ATOM 1064 N GLN A 67 19.264 1.591 6.823 1.00 0.00 N ATOM 1065 CA GLN A 67 19.536 0.164 6.703 1.00 0.00 C ATOM 1066 C GLN A 67 18.287 -0.656 7.011 1.00 0.00 C ATOM 1067 O GLN A 67 17.899 -1.528 6.234 1.00 0.00 O ATOM 1068 CB GLN A 67 20.671 -0.242 7.644 1.00 0.00 C ATOM 1069 CG GLN A 67 20.277 -0.232 9.112 1.00 0.00 C ATOM 1070 CD GLN A 67 21.469 -0.371 10.038 1.00 0.00 C ATOM 1071 OE1 GLN A 67 22.573 -0.700 9.602 1.00 0.00 O ATOM 1072 NE2 GLN A 67 21.254 -0.119 11.324 1.00 0.00 N ATOM 0 H GLN A 67 19.834 2.072 7.519 1.00 0.00 H new ATOM 0 HA GLN A 67 19.837 -0.037 5.675 1.00 0.00 H new ATOM 0 HB2 GLN A 67 21.015 -1.241 7.375 1.00 0.00 H new ATOM 0 HB3 GLN A 67 21.513 0.435 7.498 1.00 0.00 H new ATOM 0 HG2 GLN A 67 19.753 0.697 9.337 1.00 0.00 H new ATOM 0 HG3 GLN A 67 19.578 -1.046 9.302 1.00 0.00 H new ATOM 0 HE21 GLN A 67 20.323 0.151 11.642 1.00 0.00 H new ATOM 0 HE22 GLN A 67 22.020 -0.195 11.994 1.00 0.00 H new ATOM 1081 N GLU A 68 17.663 -0.370 8.149 1.00 0.00 N ATOM 1082 CA GLU A 68 16.458 -1.082 8.559 1.00 0.00 C ATOM 1083 C GLU A 68 15.487 -1.226 7.391 1.00 0.00 C ATOM 1084 O GLU A 68 15.194 -2.336 6.946 1.00 0.00 O ATOM 1085 CB GLU A 68 15.776 -0.352 9.717 1.00 0.00 C ATOM 1086 CG GLU A 68 16.430 -0.604 11.065 1.00 0.00 C ATOM 1087 CD GLU A 68 16.621 -2.081 11.354 1.00 0.00 C ATOM 1088 OE1 GLU A 68 17.596 -2.665 10.838 1.00 0.00 O ATOM 1089 OE2 GLU A 68 15.794 -2.651 12.096 1.00 0.00 O ATOM 0 H GLU A 68 17.971 0.349 8.803 1.00 0.00 H new ATOM 0 HA GLU A 68 16.751 -2.078 8.890 1.00 0.00 H new ATOM 0 HB2 GLU A 68 15.782 0.719 9.514 1.00 0.00 H new ATOM 0 HB3 GLU A 68 14.732 -0.661 9.766 1.00 0.00 H new ATOM 0 HG2 GLU A 68 17.398 -0.104 11.094 1.00 0.00 H new ATOM 0 HG3 GLU A 68 15.818 -0.160 11.850 1.00 0.00 H new ATOM 1096 N ILE A 69 14.990 -0.095 6.900 1.00 0.00 N ATOM 1097 CA ILE A 69 14.052 -0.095 5.784 1.00 0.00 C ATOM 1098 C ILE A 69 14.577 -0.934 4.625 1.00 0.00 C ATOM 1099 O ILE A 69 13.828 -1.687 4.001 1.00 0.00 O ATOM 1100 CB ILE A 69 13.775 1.335 5.283 1.00 0.00 C ATOM 1101 CG1 ILE A 69 13.139 2.174 6.394 1.00 0.00 C ATOM 1102 CG2 ILE A 69 12.875 1.301 4.057 1.00 0.00 C ATOM 1103 CD1 ILE A 69 13.397 3.658 6.254 1.00 0.00 C ATOM 0 H ILE A 69 15.221 0.832 7.257 1.00 0.00 H new ATOM 0 HA ILE A 69 13.123 -0.530 6.152 1.00 0.00 H new ATOM 0 HB ILE A 69 14.722 1.796 5.002 1.00 0.00 H new ATOM 0 HG12 ILE A 69 12.063 1.999 6.399 1.00 0.00 H new ATOM 0 HG13 ILE A 69 13.521 1.836 7.357 1.00 0.00 H new ATOM 0 HG21 ILE A 69 12.688 2.319 3.714 1.00 0.00 H new ATOM 0 HG22 ILE A 69 13.363 0.735 3.263 1.00 0.00 H new ATOM 0 HG23 ILE A 69 11.929 0.825 4.314 1.00 0.00 H new ATOM 0 HD11 ILE A 69 12.917 4.190 7.075 1.00 0.00 H new ATOM 0 HD12 ILE A 69 14.471 3.845 6.279 1.00 0.00 H new ATOM 0 HD13 ILE A 69 12.990 4.010 5.306 1.00 0.00 H new ATOM 1115 N TRP A 70 15.868 -0.802 4.342 1.00 0.00 N ATOM 1116 CA TRP A 70 16.494 -1.550 3.258 1.00 0.00 C ATOM 1117 C TRP A 70 16.638 -3.023 3.626 1.00 0.00 C ATOM 1118 O TRP A 70 16.802 -3.875 2.753 1.00 0.00 O ATOM 1119 CB TRP A 70 17.865 -0.958 2.927 1.00 0.00 C ATOM 1120 CG TRP A 70 18.888 -1.992 2.569 1.00 0.00 C ATOM 1121 CD1 TRP A 70 19.568 -2.804 3.432 1.00 0.00 C ATOM 1122 CD2 TRP A 70 19.349 -2.324 1.255 1.00 0.00 C ATOM 1123 NE1 TRP A 70 20.424 -3.621 2.732 1.00 0.00 N ATOM 1124 CE2 TRP A 70 20.307 -3.347 1.395 1.00 0.00 C ATOM 1125 CE3 TRP A 70 19.043 -1.859 -0.027 1.00 0.00 C ATOM 1126 CZ2 TRP A 70 20.961 -3.909 0.302 1.00 0.00 C ATOM 1127 CZ3 TRP A 70 19.693 -2.417 -1.111 1.00 0.00 C ATOM 1128 CH2 TRP A 70 20.643 -3.434 -0.941 1.00 0.00 C ATOM 0 H TRP A 70 16.502 -0.184 4.848 1.00 0.00 H new ATOM 0 HA TRP A 70 15.852 -1.475 2.380 1.00 0.00 H new ATOM 0 HB2 TRP A 70 17.760 -0.259 2.097 1.00 0.00 H new ATOM 0 HB3 TRP A 70 18.222 -0.386 3.783 1.00 0.00 H new ATOM 0 HD1 TRP A 70 19.450 -2.804 4.506 1.00 0.00 H new ATOM 0 HE1 TRP A 70 21.046 -4.318 3.142 1.00 0.00 H new ATOM 0 HE3 TRP A 70 18.311 -1.077 -0.168 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 21.693 -4.692 0.431 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 19.465 -2.064 -2.106 1.00 0.00 H new ATOM 0 HH2 TRP A 70 21.133 -3.851 -1.808 1.00 0.00 H new ATOM 1139 N GLN A 71 16.576 -3.314 4.921 1.00 0.00 N ATOM 1140 CA GLN A 71 16.701 -4.684 5.402 1.00 0.00 C ATOM 1141 C GLN A 71 15.331 -5.342 5.533 1.00 0.00 C ATOM 1142 O GLN A 71 15.227 -6.516 5.886 1.00 0.00 O ATOM 1143 CB GLN A 71 17.422 -4.710 6.751 1.00 0.00 C ATOM 1144 CG GLN A 71 18.911 -4.419 6.649 1.00 0.00 C ATOM 1145 CD GLN A 71 19.708 -5.057 7.770 1.00 0.00 C ATOM 1146 OE1 GLN A 71 19.308 -5.015 8.934 1.00 0.00 O ATOM 1147 NE2 GLN A 71 20.843 -5.654 7.425 1.00 0.00 N ATOM 0 H GLN A 71 16.440 -2.620 5.656 1.00 0.00 H new ATOM 0 HA GLN A 71 17.286 -5.246 4.674 1.00 0.00 H new ATOM 0 HB2 GLN A 71 16.961 -3.978 7.414 1.00 0.00 H new ATOM 0 HB3 GLN A 71 17.282 -5.689 7.210 1.00 0.00 H new ATOM 0 HG2 GLN A 71 19.284 -4.782 5.691 1.00 0.00 H new ATOM 0 HG3 GLN A 71 19.069 -3.341 6.664 1.00 0.00 H new ATOM 0 HE21 GLN A 71 21.137 -5.665 6.448 1.00 0.00 H new ATOM 0 HE22 GLN A 71 21.421 -6.101 8.137 1.00 0.00 H new ATOM 1156 N GLU A 72 14.282 -4.577 5.245 1.00 0.00 N ATOM 1157 CA GLU A 72 12.919 -5.086 5.331 1.00 0.00 C ATOM 1158 C GLU A 72 12.410 -5.515 3.958 1.00 0.00 C ATOM 1159 O GLU A 72 11.828 -6.590 3.807 1.00 0.00 O ATOM 1160 CB GLU A 72 11.990 -4.023 5.922 1.00 0.00 C ATOM 1161 CG GLU A 72 10.632 -4.564 6.337 1.00 0.00 C ATOM 1162 CD GLU A 72 10.655 -5.211 7.708 1.00 0.00 C ATOM 1163 OE1 GLU A 72 11.471 -6.133 7.916 1.00 0.00 O ATOM 1164 OE2 GLU A 72 9.857 -4.794 8.573 1.00 0.00 O ATOM 0 H GLU A 72 14.351 -3.603 4.950 1.00 0.00 H new ATOM 0 HA GLU A 72 12.925 -5.958 5.985 1.00 0.00 H new ATOM 0 HB2 GLU A 72 12.473 -3.572 6.789 1.00 0.00 H new ATOM 0 HB3 GLU A 72 11.847 -3.229 5.189 1.00 0.00 H new ATOM 0 HG2 GLU A 72 9.906 -3.751 6.335 1.00 0.00 H new ATOM 0 HG3 GLU A 72 10.296 -5.294 5.601 1.00 0.00 H new ATOM 1171 N PHE A 73 12.633 -4.668 2.960 1.00 0.00 N ATOM 1172 CA PHE A 73 12.196 -4.957 1.599 1.00 0.00 C ATOM 1173 C PHE A 73 13.390 -5.048 0.652 1.00 0.00 C ATOM 1174 O PHE A 73 13.423 -5.892 -0.244 1.00 0.00 O ATOM 1175 CB PHE A 73 11.225 -3.880 1.112 1.00 0.00 C ATOM 1176 CG PHE A 73 10.324 -3.353 2.192 1.00 0.00 C ATOM 1177 CD1 PHE A 73 10.828 -2.554 3.205 1.00 0.00 C ATOM 1178 CD2 PHE A 73 8.972 -3.657 2.193 1.00 0.00 C ATOM 1179 CE1 PHE A 73 10.000 -2.069 4.200 1.00 0.00 C ATOM 1180 CE2 PHE A 73 8.139 -3.175 3.185 1.00 0.00 C ATOM 1181 CZ PHE A 73 8.654 -2.379 4.189 1.00 0.00 C ATOM 0 H PHE A 73 13.114 -3.775 3.068 1.00 0.00 H new ATOM 0 HA PHE A 73 11.685 -5.920 1.605 1.00 0.00 H new ATOM 0 HB2 PHE A 73 11.795 -3.053 0.689 1.00 0.00 H new ATOM 0 HB3 PHE A 73 10.614 -4.290 0.308 1.00 0.00 H new ATOM 0 HD1 PHE A 73 11.879 -2.307 3.218 1.00 0.00 H new ATOM 0 HD2 PHE A 73 8.564 -4.278 1.409 1.00 0.00 H new ATOM 0 HE1 PHE A 73 10.405 -1.448 4.985 1.00 0.00 H new ATOM 0 HE2 PHE A 73 7.087 -3.420 3.175 1.00 0.00 H new ATOM 0 HZ PHE A 73 8.005 -1.999 4.965 1.00 0.00 H new ATOM 1191 N LEU A 74 14.367 -4.172 0.857 1.00 0.00 N ATOM 1192 CA LEU A 74 15.563 -4.151 0.022 1.00 0.00 C ATOM 1193 C LEU A 74 16.582 -5.179 0.505 1.00 0.00 C ATOM 1194 O LEU A 74 17.762 -5.106 0.162 1.00 0.00 O ATOM 1195 CB LEU A 74 16.189 -2.755 0.028 1.00 0.00 C ATOM 1196 CG LEU A 74 15.249 -1.597 -0.312 1.00 0.00 C ATOM 1197 CD1 LEU A 74 16.016 -0.284 -0.359 1.00 0.00 C ATOM 1198 CD2 LEU A 74 14.543 -1.853 -1.635 1.00 0.00 C ATOM 0 H LEU A 74 14.355 -3.467 1.594 1.00 0.00 H new ATOM 0 HA LEU A 74 15.270 -4.407 -0.996 1.00 0.00 H new ATOM 0 HB2 LEU A 74 16.615 -2.574 1.015 1.00 0.00 H new ATOM 0 HB3 LEU A 74 17.016 -2.746 -0.682 1.00 0.00 H new ATOM 0 HG LEU A 74 14.494 -1.525 0.471 1.00 0.00 H new ATOM 0 HD11 LEU A 74 15.332 0.529 -0.602 1.00 0.00 H new ATOM 0 HD12 LEU A 74 16.473 -0.095 0.612 1.00 0.00 H new ATOM 0 HD13 LEU A 74 16.793 -0.344 -1.121 1.00 0.00 H new ATOM 0 HD21 LEU A 74 13.879 -1.019 -1.860 1.00 0.00 H new ATOM 0 HD22 LEU A 74 15.283 -1.952 -2.429 1.00 0.00 H new ATOM 0 HD23 LEU A 74 13.961 -2.772 -1.565 1.00 0.00 H new ATOM 1210 N ALA A 75 16.117 -6.136 1.300 1.00 0.00 N ATOM 1211 CA ALA A 75 16.987 -7.182 1.826 1.00 0.00 C ATOM 1212 C ALA A 75 16.559 -8.556 1.323 1.00 0.00 C ATOM 1213 O ALA A 75 15.381 -8.813 1.072 1.00 0.00 O ATOM 1214 CB ALA A 75 16.988 -7.151 3.347 1.00 0.00 C ATOM 0 H ALA A 75 15.143 -6.209 1.594 1.00 0.00 H new ATOM 0 HA ALA A 75 17.999 -6.993 1.469 1.00 0.00 H new ATOM 0 HB1 ALA A 75 17.641 -7.937 3.727 1.00 0.00 H new ATOM 0 HB2 ALA A 75 17.349 -6.182 3.691 1.00 0.00 H new ATOM 0 HB3 ALA A 75 15.975 -7.312 3.715 1.00 0.00 H new ATOM 1220 N PRO A 76 17.536 -9.462 1.171 1.00 0.00 N ATOM 1221 CA PRO A 76 17.284 -10.826 0.697 1.00 0.00 C ATOM 1222 C PRO A 76 16.530 -11.667 1.721 1.00 0.00 C ATOM 1223 O PRO A 76 15.507 -12.274 1.408 1.00 0.00 O ATOM 1224 CB PRO A 76 18.690 -11.389 0.473 1.00 0.00 C ATOM 1225 CG PRO A 76 19.563 -10.602 1.389 1.00 0.00 C ATOM 1226 CD PRO A 76 18.962 -9.225 1.452 1.00 0.00 C ATOM 0 HA PRO A 76 16.658 -10.838 -0.195 1.00 0.00 H new ATOM 0 HB2 PRO A 76 18.732 -12.453 0.704 1.00 0.00 H new ATOM 0 HB3 PRO A 76 19.001 -11.275 -0.565 1.00 0.00 H new ATOM 0 HG2 PRO A 76 19.601 -11.057 2.379 1.00 0.00 H new ATOM 0 HG3 PRO A 76 20.587 -10.564 1.016 1.00 0.00 H new ATOM 0 HD2 PRO A 76 19.108 -8.767 2.430 1.00 0.00 H new ATOM 0 HD3 PRO A 76 19.411 -8.557 0.717 1.00 0.00 H new ATOM 1234 N GLY A 77 17.043 -11.696 2.948 1.00 0.00 N ATOM 1235 CA GLY A 77 16.404 -12.465 4.000 1.00 0.00 C ATOM 1236 C GLY A 77 15.369 -11.660 4.761 1.00 0.00 C ATOM 1237 O GLY A 77 15.308 -11.717 5.988 1.00 0.00 O ATOM 0 H GLY A 77 17.889 -11.201 3.232 1.00 0.00 H new ATOM 0 HA2 GLY A 77 15.928 -13.344 3.565 1.00 0.00 H new ATOM 0 HA3 GLY A 77 17.163 -12.824 4.695 1.00 0.00 H new ATOM 1241 N ALA A 78 14.555 -10.906 4.030 1.00 0.00 N ATOM 1242 CA ALA A 78 13.517 -10.085 4.643 1.00 0.00 C ATOM 1243 C ALA A 78 12.127 -10.584 4.264 1.00 0.00 C ATOM 1244 O ALA A 78 11.928 -11.208 3.221 1.00 0.00 O ATOM 1245 CB ALA A 78 13.687 -8.629 4.236 1.00 0.00 C ATOM 0 H ALA A 78 14.594 -10.846 3.012 1.00 0.00 H new ATOM 0 HA ALA A 78 13.619 -10.162 5.725 1.00 0.00 H new ATOM 0 HB1 ALA A 78 12.906 -8.028 4.701 1.00 0.00 H new ATOM 0 HB2 ALA A 78 14.663 -8.271 4.563 1.00 0.00 H new ATOM 0 HB3 ALA A 78 13.614 -8.543 3.152 1.00 0.00 H new ATOM 1251 N PRO A 79 11.141 -10.305 5.129 1.00 0.00 N ATOM 1252 CA PRO A 79 9.752 -10.717 4.905 1.00 0.00 C ATOM 1253 C PRO A 79 9.097 -9.951 3.761 1.00 0.00 C ATOM 1254 O PRO A 79 8.517 -10.548 2.854 1.00 0.00 O ATOM 1255 CB PRO A 79 9.066 -10.384 6.233 1.00 0.00 C ATOM 1256 CG PRO A 79 9.891 -9.294 6.823 1.00 0.00 C ATOM 1257 CD PRO A 79 11.306 -9.566 6.391 1.00 0.00 C ATOM 0 HA PRO A 79 9.679 -11.767 4.622 1.00 0.00 H new ATOM 0 HB2 PRO A 79 8.037 -10.061 6.077 1.00 0.00 H new ATOM 0 HB3 PRO A 79 9.031 -11.253 6.889 1.00 0.00 H new ATOM 0 HG2 PRO A 79 9.557 -8.318 6.472 1.00 0.00 H new ATOM 0 HG3 PRO A 79 9.809 -9.287 7.910 1.00 0.00 H new ATOM 0 HD2 PRO A 79 11.866 -8.642 6.246 1.00 0.00 H new ATOM 0 HD3 PRO A 79 11.847 -10.153 7.133 1.00 0.00 H new ATOM 1265 N SER A 80 9.195 -8.626 3.809 1.00 0.00 N ATOM 1266 CA SER A 80 8.609 -7.778 2.777 1.00 0.00 C ATOM 1267 C SER A 80 9.582 -7.582 1.619 1.00 0.00 C ATOM 1268 O SER A 80 9.431 -6.660 0.817 1.00 0.00 O ATOM 1269 CB SER A 80 8.217 -6.421 3.364 1.00 0.00 C ATOM 1270 OG SER A 80 7.112 -6.546 4.243 1.00 0.00 O ATOM 0 H SER A 80 9.675 -8.117 4.551 1.00 0.00 H new ATOM 0 HA SER A 80 7.715 -8.274 2.398 1.00 0.00 H new ATOM 0 HB2 SER A 80 9.065 -5.994 3.899 1.00 0.00 H new ATOM 0 HB3 SER A 80 7.968 -5.731 2.558 1.00 0.00 H new ATOM 0 HG SER A 80 6.882 -5.665 4.606 1.00 0.00 H new ATOM 1276 N ALA A 81 10.580 -8.455 1.538 1.00 0.00 N ATOM 1277 CA ALA A 81 11.577 -8.380 0.477 1.00 0.00 C ATOM 1278 C ALA A 81 10.920 -8.145 -0.879 1.00 0.00 C ATOM 1279 O ALA A 81 10.267 -9.035 -1.425 1.00 0.00 O ATOM 1280 CB ALA A 81 12.413 -9.651 0.447 1.00 0.00 C ATOM 0 H ALA A 81 10.720 -9.223 2.195 1.00 0.00 H new ATOM 0 HA ALA A 81 12.230 -7.533 0.686 1.00 0.00 H new ATOM 0 HB1 ALA A 81 13.153 -9.581 -0.350 1.00 0.00 H new ATOM 0 HB2 ALA A 81 12.920 -9.775 1.404 1.00 0.00 H new ATOM 0 HB3 ALA A 81 11.765 -10.509 0.266 1.00 0.00 H new ATOM 1286 N ILE A 82 11.096 -6.942 -1.416 1.00 0.00 N ATOM 1287 CA ILE A 82 10.519 -6.592 -2.708 1.00 0.00 C ATOM 1288 C ILE A 82 11.497 -6.880 -3.842 1.00 0.00 C ATOM 1289 O ILE A 82 12.593 -7.390 -3.616 1.00 0.00 O ATOM 1290 CB ILE A 82 10.114 -5.107 -2.759 1.00 0.00 C ATOM 1291 CG1 ILE A 82 11.332 -4.214 -2.512 1.00 0.00 C ATOM 1292 CG2 ILE A 82 9.024 -4.820 -1.738 1.00 0.00 C ATOM 1293 CD1 ILE A 82 11.195 -2.828 -3.100 1.00 0.00 C ATOM 0 H ILE A 82 11.633 -6.194 -0.977 1.00 0.00 H new ATOM 0 HA ILE A 82 9.628 -7.208 -2.834 1.00 0.00 H new ATOM 0 HB ILE A 82 9.722 -4.887 -3.752 1.00 0.00 H new ATOM 0 HG12 ILE A 82 11.498 -4.129 -1.438 1.00 0.00 H new ATOM 0 HG13 ILE A 82 12.215 -4.693 -2.934 1.00 0.00 H new ATOM 0 HG21 ILE A 82 8.749 -3.766 -1.786 1.00 0.00 H new ATOM 0 HG22 ILE A 82 8.150 -5.434 -1.956 1.00 0.00 H new ATOM 0 HG23 ILE A 82 9.391 -5.054 -0.739 1.00 0.00 H new ATOM 0 HD11 ILE A 82 12.095 -2.251 -2.886 1.00 0.00 H new ATOM 0 HD12 ILE A 82 11.060 -2.902 -4.179 1.00 0.00 H new ATOM 0 HD13 ILE A 82 10.332 -2.330 -2.659 1.00 0.00 H new ATOM 1305 N ASN A 83 11.092 -6.548 -5.064 1.00 0.00 N ATOM 1306 CA ASN A 83 11.933 -6.770 -6.234 1.00 0.00 C ATOM 1307 C ASN A 83 12.036 -5.503 -7.078 1.00 0.00 C ATOM 1308 O ASN A 83 11.028 -4.866 -7.388 1.00 0.00 O ATOM 1309 CB ASN A 83 11.373 -7.916 -7.081 1.00 0.00 C ATOM 1310 CG ASN A 83 12.133 -8.100 -8.380 1.00 0.00 C ATOM 1311 OD1 ASN A 83 13.252 -8.614 -8.390 1.00 0.00 O ATOM 1312 ND2 ASN A 83 11.527 -7.679 -9.484 1.00 0.00 N ATOM 0 H ASN A 83 10.187 -6.125 -5.269 1.00 0.00 H new ATOM 0 HA ASN A 83 12.931 -7.037 -5.887 1.00 0.00 H new ATOM 0 HB2 ASN A 83 11.412 -8.841 -6.506 1.00 0.00 H new ATOM 0 HB3 ASN A 83 10.323 -7.722 -7.302 1.00 0.00 H new ATOM 0 HD21 ASN A 83 11.989 -7.776 -10.388 1.00 0.00 H new ATOM 0 HD22 ASN A 83 10.599 -7.259 -9.428 1.00 0.00 H new ATOM 1319 N LEU A 84 13.260 -5.143 -7.448 1.00 0.00 N ATOM 1320 CA LEU A 84 13.496 -3.953 -8.257 1.00 0.00 C ATOM 1321 C LEU A 84 14.243 -4.305 -9.539 1.00 0.00 C ATOM 1322 O LEU A 84 14.708 -5.432 -9.709 1.00 0.00 O ATOM 1323 CB LEU A 84 14.291 -2.918 -7.457 1.00 0.00 C ATOM 1324 CG LEU A 84 13.641 -2.425 -6.164 1.00 0.00 C ATOM 1325 CD1 LEU A 84 14.658 -1.699 -5.298 1.00 0.00 C ATOM 1326 CD2 LEU A 84 12.458 -1.520 -6.473 1.00 0.00 C ATOM 0 H LEU A 84 14.105 -5.659 -7.200 1.00 0.00 H new ATOM 0 HA LEU A 84 12.529 -3.530 -8.527 1.00 0.00 H new ATOM 0 HB2 LEU A 84 15.263 -3.347 -7.211 1.00 0.00 H new ATOM 0 HB3 LEU A 84 14.476 -2.056 -8.099 1.00 0.00 H new ATOM 0 HG LEU A 84 13.276 -3.290 -5.611 1.00 0.00 H new ATOM 0 HD11 LEU A 84 14.177 -1.355 -4.382 1.00 0.00 H new ATOM 0 HD12 LEU A 84 15.473 -2.378 -5.047 1.00 0.00 H new ATOM 0 HD13 LEU A 84 15.054 -0.842 -5.843 1.00 0.00 H new ATOM 0 HD21 LEU A 84 12.008 -1.179 -5.541 1.00 0.00 H new ATOM 0 HD22 LEU A 84 12.799 -0.659 -7.048 1.00 0.00 H new ATOM 0 HD23 LEU A 84 11.718 -2.073 -7.052 1.00 0.00 H new ATOM 1338 N ASP A 85 14.357 -3.333 -10.437 1.00 0.00 N ATOM 1339 CA ASP A 85 15.051 -3.539 -11.703 1.00 0.00 C ATOM 1340 C ASP A 85 16.563 -3.482 -11.509 1.00 0.00 C ATOM 1341 O ASP A 85 17.069 -2.672 -10.733 1.00 0.00 O ATOM 1342 CB ASP A 85 14.615 -2.487 -12.725 1.00 0.00 C ATOM 1343 CG ASP A 85 15.365 -2.610 -14.037 1.00 0.00 C ATOM 1344 OD1 ASP A 85 15.293 -3.688 -14.663 1.00 0.00 O ATOM 1345 OD2 ASP A 85 16.023 -1.627 -14.438 1.00 0.00 O ATOM 0 H ASP A 85 13.978 -2.394 -10.312 1.00 0.00 H new ATOM 0 HA ASP A 85 14.788 -4.528 -12.077 1.00 0.00 H new ATOM 0 HB2 ASP A 85 13.545 -2.586 -12.910 1.00 0.00 H new ATOM 0 HB3 ASP A 85 14.776 -1.492 -12.310 1.00 0.00 H new ATOM 1350 N SER A 86 17.279 -4.348 -12.220 1.00 0.00 N ATOM 1351 CA SER A 86 18.733 -4.400 -12.122 1.00 0.00 C ATOM 1352 C SER A 86 19.318 -2.998 -11.985 1.00 0.00 C ATOM 1353 O SER A 86 20.215 -2.763 -11.175 1.00 0.00 O ATOM 1354 CB SER A 86 19.323 -5.094 -13.351 1.00 0.00 C ATOM 1355 OG SER A 86 18.948 -6.460 -13.395 1.00 0.00 O ATOM 0 H SER A 86 16.876 -5.023 -12.870 1.00 0.00 H new ATOM 0 HA SER A 86 18.993 -4.972 -11.231 1.00 0.00 H new ATOM 0 HB2 SER A 86 18.982 -4.591 -14.256 1.00 0.00 H new ATOM 0 HB3 SER A 86 20.410 -5.013 -13.332 1.00 0.00 H new ATOM 0 HG SER A 86 19.336 -6.880 -14.191 1.00 0.00 H new ATOM 1361 N LYS A 87 18.804 -2.069 -12.784 1.00 0.00 N ATOM 1362 CA LYS A 87 19.273 -0.689 -12.753 1.00 0.00 C ATOM 1363 C LYS A 87 18.998 -0.050 -11.396 1.00 0.00 C ATOM 1364 O LYS A 87 19.919 0.384 -10.705 1.00 0.00 O ATOM 1365 CB LYS A 87 18.598 0.126 -13.858 1.00 0.00 C ATOM 1366 CG LYS A 87 18.729 1.628 -13.674 1.00 0.00 C ATOM 1367 CD LYS A 87 17.986 2.390 -14.758 1.00 0.00 C ATOM 1368 CE LYS A 87 18.354 3.866 -14.754 1.00 0.00 C ATOM 1369 NZ LYS A 87 17.454 4.659 -13.871 1.00 0.00 N ATOM 0 H LYS A 87 18.062 -2.247 -13.461 1.00 0.00 H new ATOM 0 HA LYS A 87 20.350 -0.695 -12.920 1.00 0.00 H new ATOM 0 HB2 LYS A 87 19.030 -0.153 -14.819 1.00 0.00 H new ATOM 0 HB3 LYS A 87 17.541 -0.136 -13.896 1.00 0.00 H new ATOM 0 HG2 LYS A 87 18.339 1.911 -12.696 1.00 0.00 H new ATOM 0 HG3 LYS A 87 19.783 1.907 -13.689 1.00 0.00 H new ATOM 0 HD2 LYS A 87 18.218 1.959 -15.732 1.00 0.00 H new ATOM 0 HD3 LYS A 87 16.912 2.281 -14.609 1.00 0.00 H new ATOM 0 HE2 LYS A 87 19.385 3.982 -14.420 1.00 0.00 H new ATOM 0 HE3 LYS A 87 18.302 4.256 -15.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 17.737 5.659 -13.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 16.473 4.569 -14.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 17.523 4.303 -12.896 1.00 0.00 H new ATOM 1383 N SER A 88 17.724 0.002 -11.019 1.00 0.00 N ATOM 1384 CA SER A 88 17.327 0.589 -9.744 1.00 0.00 C ATOM 1385 C SER A 88 18.065 -0.076 -8.586 1.00 0.00 C ATOM 1386 O SER A 88 18.774 0.584 -7.826 1.00 0.00 O ATOM 1387 CB SER A 88 15.816 0.455 -9.546 1.00 0.00 C ATOM 1388 OG SER A 88 15.371 1.255 -8.464 1.00 0.00 O ATOM 0 H SER A 88 16.949 -0.355 -11.578 1.00 0.00 H new ATOM 0 HA SER A 88 17.592 1.646 -9.760 1.00 0.00 H new ATOM 0 HB2 SER A 88 15.299 0.751 -10.458 1.00 0.00 H new ATOM 0 HB3 SER A 88 15.561 -0.588 -9.360 1.00 0.00 H new ATOM 0 HG SER A 88 14.439 1.035 -8.256 1.00 0.00 H new ATOM 1394 N TYR A 89 17.892 -1.387 -8.459 1.00 0.00 N ATOM 1395 CA TYR A 89 18.539 -2.143 -7.392 1.00 0.00 C ATOM 1396 C TYR A 89 20.014 -1.772 -7.279 1.00 0.00 C ATOM 1397 O TYR A 89 20.515 -1.497 -6.189 1.00 0.00 O ATOM 1398 CB TYR A 89 18.397 -3.645 -7.645 1.00 0.00 C ATOM 1399 CG TYR A 89 18.545 -4.485 -6.397 1.00 0.00 C ATOM 1400 CD1 TYR A 89 17.552 -4.501 -5.425 1.00 0.00 C ATOM 1401 CD2 TYR A 89 19.677 -5.264 -6.190 1.00 0.00 C ATOM 1402 CE1 TYR A 89 17.683 -5.266 -4.282 1.00 0.00 C ATOM 1403 CE2 TYR A 89 19.815 -6.034 -5.051 1.00 0.00 C ATOM 1404 CZ TYR A 89 18.816 -6.032 -4.100 1.00 0.00 C ATOM 1405 OH TYR A 89 18.951 -6.796 -2.964 1.00 0.00 O ATOM 0 H TYR A 89 17.310 -1.948 -9.081 1.00 0.00 H new ATOM 0 HA TYR A 89 18.047 -1.891 -6.453 1.00 0.00 H new ATOM 0 HB2 TYR A 89 17.421 -3.839 -8.090 1.00 0.00 H new ATOM 0 HB3 TYR A 89 19.147 -3.955 -8.373 1.00 0.00 H new ATOM 0 HD1 TYR A 89 16.662 -3.905 -5.566 1.00 0.00 H new ATOM 0 HD2 TYR A 89 20.462 -5.268 -6.932 1.00 0.00 H new ATOM 0 HE1 TYR A 89 16.903 -5.264 -3.535 1.00 0.00 H new ATOM 0 HE2 TYR A 89 20.701 -6.635 -4.906 1.00 0.00 H new ATOM 0 HH TYR A 89 19.805 -7.275 -2.992 1.00 0.00 H new ATOM 1415 N ASP A 90 20.704 -1.766 -8.414 1.00 0.00 N ATOM 1416 CA ASP A 90 22.123 -1.427 -8.445 1.00 0.00 C ATOM 1417 C ASP A 90 22.369 -0.062 -7.811 1.00 0.00 C ATOM 1418 O ASP A 90 23.044 0.047 -6.787 1.00 0.00 O ATOM 1419 CB ASP A 90 22.640 -1.436 -9.884 1.00 0.00 C ATOM 1420 CG ASP A 90 24.154 -1.485 -9.955 1.00 0.00 C ATOM 1421 OD1 ASP A 90 24.721 -2.582 -9.770 1.00 0.00 O ATOM 1422 OD2 ASP A 90 24.771 -0.426 -10.194 1.00 0.00 O ATOM 0 H ASP A 90 20.304 -1.992 -9.325 1.00 0.00 H new ATOM 0 HA ASP A 90 22.664 -2.178 -7.869 1.00 0.00 H new ATOM 0 HB2 ASP A 90 22.226 -2.296 -10.410 1.00 0.00 H new ATOM 0 HB3 ASP A 90 22.284 -0.545 -10.401 1.00 0.00 H new ATOM 1427 N LYS A 91 21.818 0.979 -8.427 1.00 0.00 N ATOM 1428 CA LYS A 91 21.976 2.338 -7.924 1.00 0.00 C ATOM 1429 C LYS A 91 21.667 2.406 -6.432 1.00 0.00 C ATOM 1430 O LYS A 91 22.432 2.977 -5.654 1.00 0.00 O ATOM 1431 CB LYS A 91 21.061 3.297 -8.689 1.00 0.00 C ATOM 1432 CG LYS A 91 21.003 4.691 -8.089 1.00 0.00 C ATOM 1433 CD LYS A 91 22.121 5.573 -8.619 1.00 0.00 C ATOM 1434 CE LYS A 91 21.720 7.040 -8.621 1.00 0.00 C ATOM 1435 NZ LYS A 91 22.475 7.821 -9.640 1.00 0.00 N ATOM 0 H LYS A 91 21.258 0.907 -9.276 1.00 0.00 H new ATOM 0 HA LYS A 91 23.013 2.636 -8.076 1.00 0.00 H new ATOM 0 HB2 LYS A 91 21.405 3.369 -9.721 1.00 0.00 H new ATOM 0 HB3 LYS A 91 20.054 2.880 -8.717 1.00 0.00 H new ATOM 0 HG2 LYS A 91 20.040 5.147 -8.317 1.00 0.00 H new ATOM 0 HG3 LYS A 91 21.075 4.624 -7.003 1.00 0.00 H new ATOM 0 HD2 LYS A 91 23.013 5.439 -8.007 1.00 0.00 H new ATOM 0 HD3 LYS A 91 22.381 5.264 -9.632 1.00 0.00 H new ATOM 0 HE2 LYS A 91 20.651 7.124 -8.818 1.00 0.00 H new ATOM 0 HE3 LYS A 91 21.896 7.466 -7.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 22.173 8.816 -9.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 23.493 7.762 -9.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 22.287 7.431 -10.586 1.00 0.00 H new ATOM 1449 N THR A 92 20.542 1.818 -6.038 1.00 0.00 N ATOM 1450 CA THR A 92 20.132 1.811 -4.639 1.00 0.00 C ATOM 1451 C THR A 92 21.191 1.156 -3.759 1.00 0.00 C ATOM 1452 O THR A 92 21.801 1.809 -2.912 1.00 0.00 O ATOM 1453 CB THR A 92 18.794 1.073 -4.449 1.00 0.00 C ATOM 1454 OG1 THR A 92 17.758 1.741 -5.178 1.00 0.00 O ATOM 1455 CG2 THR A 92 18.420 1.001 -2.976 1.00 0.00 C ATOM 0 H THR A 92 19.898 1.340 -6.668 1.00 0.00 H new ATOM 0 HA THR A 92 20.009 2.852 -4.341 1.00 0.00 H new ATOM 0 HB THR A 92 18.907 0.058 -4.828 1.00 0.00 H new ATOM 0 HG1 THR A 92 17.845 1.536 -6.132 1.00 0.00 H new ATOM 0 HG21 THR A 92 17.471 0.475 -2.867 1.00 0.00 H new ATOM 0 HG22 THR A 92 19.196 0.466 -2.429 1.00 0.00 H new ATOM 0 HG23 THR A 92 18.324 2.010 -2.575 1.00 0.00 H new ATOM 1463 N THR A 93 21.405 -0.140 -3.965 1.00 0.00 N ATOM 1464 CA THR A 93 22.390 -0.884 -3.190 1.00 0.00 C ATOM 1465 C THR A 93 23.632 -0.041 -2.923 1.00 0.00 C ATOM 1466 O THR A 93 24.126 0.016 -1.797 1.00 0.00 O ATOM 1467 CB THR A 93 22.809 -2.180 -3.910 1.00 0.00 C ATOM 1468 OG1 THR A 93 21.649 -2.946 -4.253 1.00 0.00 O ATOM 1469 CG2 THR A 93 23.731 -3.013 -3.032 1.00 0.00 C ATOM 0 H THR A 93 20.909 -0.696 -4.662 1.00 0.00 H new ATOM 0 HA THR A 93 21.917 -1.140 -2.242 1.00 0.00 H new ATOM 0 HB THR A 93 23.346 -1.908 -4.818 1.00 0.00 H new ATOM 0 HG1 THR A 93 21.262 -2.600 -5.084 1.00 0.00 H new ATOM 0 HG21 THR A 93 24.013 -3.923 -3.561 1.00 0.00 H new ATOM 0 HG22 THR A 93 24.626 -2.438 -2.796 1.00 0.00 H new ATOM 0 HG23 THR A 93 23.215 -3.276 -2.109 1.00 0.00 H new ATOM 1477 N HIS A 94 24.131 0.614 -3.967 1.00 0.00 N ATOM 1478 CA HIS A 94 25.316 1.457 -3.844 1.00 0.00 C ATOM 1479 C HIS A 94 25.032 2.668 -2.961 1.00 0.00 C ATOM 1480 O HIS A 94 25.840 3.028 -2.106 1.00 0.00 O ATOM 1481 CB HIS A 94 25.785 1.917 -5.225 1.00 0.00 C ATOM 1482 CG HIS A 94 26.721 3.085 -5.181 1.00 0.00 C ATOM 1483 ND1 HIS A 94 26.501 4.385 -4.872 1.00 0.00 N flip ATOM 1484 CD2 HIS A 94 28.064 2.986 -5.480 1.00 0.00 C flip ATOM 1485 CE1 HIS A 94 27.703 5.040 -4.987 1.00 0.00 C flip ATOM 1486 NE2 HIS A 94 28.629 4.173 -5.355 1.00 0.00 N flip ATOM 0 H HIS A 94 23.734 0.578 -4.906 1.00 0.00 H new ATOM 0 HA HIS A 94 26.105 0.867 -3.378 1.00 0.00 H new ATOM 0 HB2 HIS A 94 26.278 1.085 -5.728 1.00 0.00 H new ATOM 0 HB3 HIS A 94 24.915 2.182 -5.826 1.00 0.00 H new ATOM 0 HD2 HIS A 94 28.574 2.079 -5.771 1.00 0.00 H new ATOM 0 HE1 HIS A 94 27.865 6.092 -4.806 1.00 0.00 H new ATOM 0 HE2 HIS A 94 29.614 4.385 -5.515 1.00 0.00 H new ATOM 1494 N ASN A 95 23.879 3.294 -3.175 1.00 0.00 N ATOM 1495 CA ASN A 95 23.489 4.466 -2.400 1.00 0.00 C ATOM 1496 C ASN A 95 23.390 4.127 -0.915 1.00 0.00 C ATOM 1497 O ASN A 95 23.879 4.870 -0.064 1.00 0.00 O ATOM 1498 CB ASN A 95 22.151 5.012 -2.900 1.00 0.00 C ATOM 1499 CG ASN A 95 22.223 5.493 -4.336 1.00 0.00 C ATOM 1500 OD1 ASN A 95 23.274 5.422 -4.974 1.00 0.00 O ATOM 1501 ND2 ASN A 95 21.103 5.987 -4.852 1.00 0.00 N ATOM 0 H ASN A 95 23.198 3.009 -3.879 1.00 0.00 H new ATOM 0 HA ASN A 95 24.256 5.229 -2.531 1.00 0.00 H new ATOM 0 HB2 ASN A 95 21.391 4.235 -2.818 1.00 0.00 H new ATOM 0 HB3 ASN A 95 21.836 5.835 -2.259 1.00 0.00 H new ATOM 0 HD21 ASN A 95 21.091 6.327 -5.814 1.00 0.00 H new ATOM 0 HD22 ASN A 95 20.255 6.027 -4.287 1.00 0.00 H new ATOM 1508 N VAL A 96 22.755 2.999 -0.612 1.00 0.00 N ATOM 1509 CA VAL A 96 22.593 2.560 0.769 1.00 0.00 C ATOM 1510 C VAL A 96 23.848 2.845 1.587 1.00 0.00 C ATOM 1511 O VAL A 96 23.769 3.303 2.727 1.00 0.00 O ATOM 1512 CB VAL A 96 22.274 1.056 0.846 1.00 0.00 C ATOM 1513 CG1 VAL A 96 22.147 0.610 2.295 1.00 0.00 C ATOM 1514 CG2 VAL A 96 21.004 0.741 0.069 1.00 0.00 C ATOM 0 H VAL A 96 22.344 2.373 -1.304 1.00 0.00 H new ATOM 0 HA VAL A 96 21.757 3.123 1.184 1.00 0.00 H new ATOM 0 HB VAL A 96 23.097 0.504 0.392 1.00 0.00 H new ATOM 0 HG11 VAL A 96 21.921 -0.456 2.329 1.00 0.00 H new ATOM 0 HG12 VAL A 96 23.085 0.799 2.817 1.00 0.00 H new ATOM 0 HG13 VAL A 96 21.344 1.167 2.778 1.00 0.00 H new ATOM 0 HG21 VAL A 96 20.793 -0.326 0.134 1.00 0.00 H new ATOM 0 HG22 VAL A 96 20.170 1.302 0.492 1.00 0.00 H new ATOM 0 HG23 VAL A 96 21.138 1.022 -0.976 1.00 0.00 H new ATOM 1524 N LYS A 97 25.007 2.571 0.997 1.00 0.00 N ATOM 1525 CA LYS A 97 26.281 2.798 1.669 1.00 0.00 C ATOM 1526 C LYS A 97 26.237 4.076 2.500 1.00 0.00 C ATOM 1527 O LYS A 97 26.710 4.105 3.635 1.00 0.00 O ATOM 1528 CB LYS A 97 27.414 2.883 0.643 1.00 0.00 C ATOM 1529 CG LYS A 97 27.555 1.635 -0.211 1.00 0.00 C ATOM 1530 CD LYS A 97 28.414 0.585 0.473 1.00 0.00 C ATOM 1531 CE LYS A 97 28.352 -0.748 -0.258 1.00 0.00 C ATOM 1532 NZ LYS A 97 29.224 -1.772 0.382 1.00 0.00 N ATOM 0 H LYS A 97 25.090 2.191 0.054 1.00 0.00 H new ATOM 0 HA LYS A 97 26.466 1.957 2.337 1.00 0.00 H new ATOM 0 HB2 LYS A 97 27.241 3.741 -0.007 1.00 0.00 H new ATOM 0 HB3 LYS A 97 28.353 3.064 1.165 1.00 0.00 H new ATOM 0 HG2 LYS A 97 26.568 1.221 -0.417 1.00 0.00 H new ATOM 0 HG3 LYS A 97 27.997 1.899 -1.172 1.00 0.00 H new ATOM 0 HD2 LYS A 97 29.447 0.930 0.516 1.00 0.00 H new ATOM 0 HD3 LYS A 97 28.079 0.453 1.502 1.00 0.00 H new ATOM 0 HE2 LYS A 97 27.323 -1.106 -0.274 1.00 0.00 H new ATOM 0 HE3 LYS A 97 28.657 -0.608 -1.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 29.154 -2.666 -0.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 30.210 -1.442 0.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 28.917 -1.924 1.364 1.00 0.00 H new ATOM 1546 N GLU A 98 25.664 5.130 1.927 1.00 0.00 N ATOM 1547 CA GLU A 98 25.559 6.411 2.616 1.00 0.00 C ATOM 1548 C GLU A 98 24.132 6.652 3.100 1.00 0.00 C ATOM 1549 O GLU A 98 23.194 6.773 2.312 1.00 0.00 O ATOM 1550 CB GLU A 98 25.995 7.550 1.693 1.00 0.00 C ATOM 1551 CG GLU A 98 25.268 7.565 0.359 1.00 0.00 C ATOM 1552 CD GLU A 98 25.672 8.738 -0.513 1.00 0.00 C ATOM 1553 OE1 GLU A 98 26.886 9.018 -0.604 1.00 0.00 O ATOM 1554 OE2 GLU A 98 24.776 9.376 -1.103 1.00 0.00 O ATOM 0 H GLU A 98 25.266 5.122 0.988 1.00 0.00 H new ATOM 0 HA GLU A 98 26.219 6.383 3.483 1.00 0.00 H new ATOM 0 HB2 GLU A 98 25.828 8.501 2.199 1.00 0.00 H new ATOM 0 HB3 GLU A 98 27.067 7.470 1.512 1.00 0.00 H new ATOM 0 HG2 GLU A 98 25.472 6.635 -0.172 1.00 0.00 H new ATOM 0 HG3 GLU A 98 24.193 7.602 0.536 1.00 0.00 H new ATOM 1561 N PRO A 99 23.962 6.724 4.429 1.00 0.00 N ATOM 1562 CA PRO A 99 22.653 6.951 5.049 1.00 0.00 C ATOM 1563 C PRO A 99 22.135 8.364 4.808 1.00 0.00 C ATOM 1564 O PRO A 99 22.725 9.340 5.271 1.00 0.00 O ATOM 1565 CB PRO A 99 22.923 6.726 6.539 1.00 0.00 C ATOM 1566 CG PRO A 99 24.374 7.017 6.709 1.00 0.00 C ATOM 1567 CD PRO A 99 25.035 6.589 5.428 1.00 0.00 C ATOM 0 HA PRO A 99 21.887 6.294 4.637 1.00 0.00 H new ATOM 0 HB2 PRO A 99 22.312 7.385 7.156 1.00 0.00 H new ATOM 0 HB3 PRO A 99 22.687 5.704 6.834 1.00 0.00 H new ATOM 0 HG2 PRO A 99 24.540 8.078 6.898 1.00 0.00 H new ATOM 0 HG3 PRO A 99 24.784 6.473 7.560 1.00 0.00 H new ATOM 0 HD2 PRO A 99 25.890 7.220 5.187 1.00 0.00 H new ATOM 0 HD3 PRO A 99 25.402 5.564 5.488 1.00 0.00 H new ATOM 1575 N GLY A 100 21.027 8.468 4.080 1.00 0.00 N ATOM 1576 CA GLY A 100 20.448 9.767 3.791 1.00 0.00 C ATOM 1577 C GLY A 100 18.933 9.747 3.822 1.00 0.00 C ATOM 1578 O GLY A 100 18.328 8.794 4.315 1.00 0.00 O ATOM 0 H GLY A 100 20.520 7.676 3.685 1.00 0.00 H new ATOM 0 HA2 GLY A 100 20.813 10.494 4.517 1.00 0.00 H new ATOM 0 HA3 GLY A 100 20.784 10.101 2.809 1.00 0.00 H new ATOM 1582 N ARG A 101 18.317 10.801 3.297 1.00 0.00 N ATOM 1583 CA ARG A 101 16.863 10.901 3.269 1.00 0.00 C ATOM 1584 C ARG A 101 16.314 10.467 1.913 1.00 0.00 C ATOM 1585 O ARG A 101 15.355 9.698 1.837 1.00 0.00 O ATOM 1586 CB ARG A 101 16.424 12.334 3.574 1.00 0.00 C ATOM 1587 CG ARG A 101 16.500 12.694 5.049 1.00 0.00 C ATOM 1588 CD ARG A 101 16.069 14.131 5.295 1.00 0.00 C ATOM 1589 NE ARG A 101 16.201 14.509 6.699 1.00 0.00 N ATOM 1590 CZ ARG A 101 17.234 15.189 7.184 1.00 0.00 C ATOM 1591 NH1 ARG A 101 18.220 15.564 6.381 1.00 0.00 N ATOM 1592 NH2 ARG A 101 17.282 15.496 8.474 1.00 0.00 N ATOM 0 H ARG A 101 18.802 11.598 2.885 1.00 0.00 H new ATOM 0 HA ARG A 101 16.463 10.235 4.033 1.00 0.00 H new ATOM 0 HB2 ARG A 101 17.049 13.025 3.008 1.00 0.00 H new ATOM 0 HB3 ARG A 101 15.400 12.473 3.227 1.00 0.00 H new ATOM 0 HG2 ARG A 101 15.864 12.019 5.622 1.00 0.00 H new ATOM 0 HG3 ARG A 101 17.520 12.553 5.407 1.00 0.00 H new ATOM 0 HD2 ARG A 101 16.672 14.800 4.681 1.00 0.00 H new ATOM 0 HD3 ARG A 101 15.033 14.257 4.981 1.00 0.00 H new ATOM 0 HE ARG A 101 15.459 14.236 7.343 1.00 0.00 H new ATOM 0 HH11 ARG A 101 18.186 15.330 5.389 1.00 0.00 H new ATOM 0 HH12 ARG A 101 19.012 16.086 6.756 1.00 0.00 H new ATOM 0 HH21 ARG A 101 16.525 15.210 9.095 1.00 0.00 H new ATOM 0 HH22 ARG A 101 18.076 16.018 8.845 1.00 0.00 H new ATOM 1606 N TYR A 102 16.927 10.965 0.845 1.00 0.00 N ATOM 1607 CA TYR A 102 16.498 10.632 -0.508 1.00 0.00 C ATOM 1608 C TYR A 102 17.324 9.479 -1.072 1.00 0.00 C ATOM 1609 O TYR A 102 17.357 9.258 -2.283 1.00 0.00 O ATOM 1610 CB TYR A 102 16.618 11.854 -1.419 1.00 0.00 C ATOM 1611 CG TYR A 102 15.801 13.039 -0.954 1.00 0.00 C ATOM 1612 CD1 TYR A 102 14.442 13.121 -1.227 1.00 0.00 C ATOM 1613 CD2 TYR A 102 16.390 14.076 -0.241 1.00 0.00 C ATOM 1614 CE1 TYR A 102 13.692 14.201 -0.805 1.00 0.00 C ATOM 1615 CE2 TYR A 102 15.648 15.160 0.187 1.00 0.00 C ATOM 1616 CZ TYR A 102 14.300 15.218 -0.098 1.00 0.00 C ATOM 1617 OH TYR A 102 13.556 16.296 0.326 1.00 0.00 O ATOM 0 H TYR A 102 17.723 11.601 0.890 1.00 0.00 H new ATOM 0 HA TYR A 102 15.454 10.321 -0.465 1.00 0.00 H new ATOM 0 HB2 TYR A 102 17.666 12.148 -1.482 1.00 0.00 H new ATOM 0 HB3 TYR A 102 16.303 11.579 -2.426 1.00 0.00 H new ATOM 0 HD1 TYR A 102 13.963 12.326 -1.779 1.00 0.00 H new ATOM 0 HD2 TYR A 102 17.446 14.034 -0.018 1.00 0.00 H new ATOM 0 HE1 TYR A 102 12.636 14.249 -1.027 1.00 0.00 H new ATOM 0 HE2 TYR A 102 16.121 15.957 0.741 1.00 0.00 H new ATOM 0 HH TYR A 102 14.134 16.922 0.810 1.00 0.00 H new ATOM 1627 N THR A 103 17.989 8.747 -0.185 1.00 0.00 N ATOM 1628 CA THR A 103 18.816 7.617 -0.593 1.00 0.00 C ATOM 1629 C THR A 103 18.002 6.598 -1.382 1.00 0.00 C ATOM 1630 O THR A 103 18.451 6.095 -2.413 1.00 0.00 O ATOM 1631 CB THR A 103 19.452 6.919 0.624 1.00 0.00 C ATOM 1632 OG1 THR A 103 20.234 7.855 1.372 1.00 0.00 O ATOM 1633 CG2 THR A 103 20.327 5.755 0.183 1.00 0.00 C ATOM 0 H THR A 103 17.972 8.916 0.821 1.00 0.00 H new ATOM 0 HA THR A 103 19.607 8.016 -1.228 1.00 0.00 H new ATOM 0 HB THR A 103 18.651 6.532 1.254 1.00 0.00 H new ATOM 0 HG1 THR A 103 21.093 7.448 1.609 1.00 0.00 H new ATOM 0 HG21 THR A 103 20.766 5.277 1.059 1.00 0.00 H new ATOM 0 HG22 THR A 103 19.721 5.030 -0.361 1.00 0.00 H new ATOM 0 HG23 THR A 103 21.122 6.123 -0.466 1.00 0.00 H new ATOM 1641 N PHE A 104 16.804 6.298 -0.894 1.00 0.00 N ATOM 1642 CA PHE A 104 15.927 5.337 -1.554 1.00 0.00 C ATOM 1643 C PHE A 104 14.933 6.048 -2.468 1.00 0.00 C ATOM 1644 O PHE A 104 13.918 5.474 -2.862 1.00 0.00 O ATOM 1645 CB PHE A 104 15.176 4.502 -0.516 1.00 0.00 C ATOM 1646 CG PHE A 104 16.081 3.764 0.429 1.00 0.00 C ATOM 1647 CD1 PHE A 104 16.782 2.646 0.006 1.00 0.00 C ATOM 1648 CD2 PHE A 104 16.230 4.187 1.740 1.00 0.00 C ATOM 1649 CE1 PHE A 104 17.617 1.965 0.872 1.00 0.00 C ATOM 1650 CE2 PHE A 104 17.064 3.510 2.610 1.00 0.00 C ATOM 1651 CZ PHE A 104 17.756 2.397 2.176 1.00 0.00 C ATOM 0 H PHE A 104 16.417 6.706 -0.043 1.00 0.00 H new ATOM 0 HA PHE A 104 16.545 4.676 -2.162 1.00 0.00 H new ATOM 0 HB2 PHE A 104 14.520 5.156 0.058 1.00 0.00 H new ATOM 0 HB3 PHE A 104 14.539 3.784 -1.032 1.00 0.00 H new ATOM 0 HD1 PHE A 104 16.675 2.303 -1.012 1.00 0.00 H new ATOM 0 HD2 PHE A 104 15.689 5.055 2.086 1.00 0.00 H new ATOM 0 HE1 PHE A 104 18.160 1.096 0.529 1.00 0.00 H new ATOM 0 HE2 PHE A 104 17.174 3.852 3.629 1.00 0.00 H new ATOM 0 HZ PHE A 104 18.405 1.865 2.856 1.00 0.00 H new ATOM 1661 N GLU A 105 15.233 7.299 -2.800 1.00 0.00 N ATOM 1662 CA GLU A 105 14.365 8.088 -3.666 1.00 0.00 C ATOM 1663 C GLU A 105 14.100 7.360 -4.981 1.00 0.00 C ATOM 1664 O GLU A 105 12.953 7.078 -5.327 1.00 0.00 O ATOM 1665 CB GLU A 105 14.992 9.456 -3.945 1.00 0.00 C ATOM 1666 CG GLU A 105 14.016 10.467 -4.522 1.00 0.00 C ATOM 1667 CD GLU A 105 14.713 11.656 -5.155 1.00 0.00 C ATOM 1668 OE1 GLU A 105 15.437 12.373 -4.433 1.00 0.00 O ATOM 1669 OE2 GLU A 105 14.534 11.868 -6.373 1.00 0.00 O ATOM 0 H GLU A 105 16.070 7.788 -2.483 1.00 0.00 H new ATOM 0 HA GLU A 105 13.415 8.230 -3.152 1.00 0.00 H new ATOM 0 HB2 GLU A 105 15.406 9.852 -3.018 1.00 0.00 H new ATOM 0 HB3 GLU A 105 15.824 9.330 -4.638 1.00 0.00 H new ATOM 0 HG2 GLU A 105 13.391 9.977 -5.269 1.00 0.00 H new ATOM 0 HG3 GLU A 105 13.353 10.818 -3.731 1.00 0.00 H new ATOM 1676 N ASP A 106 15.170 7.059 -5.709 1.00 0.00 N ATOM 1677 CA ASP A 106 15.055 6.363 -6.985 1.00 0.00 C ATOM 1678 C ASP A 106 14.090 5.187 -6.878 1.00 0.00 C ATOM 1679 O ASP A 106 13.034 5.178 -7.510 1.00 0.00 O ATOM 1680 CB ASP A 106 16.427 5.872 -7.448 1.00 0.00 C ATOM 1681 CG ASP A 106 17.544 6.820 -7.058 1.00 0.00 C ATOM 1682 OD1 ASP A 106 17.715 7.849 -7.744 1.00 0.00 O ATOM 1683 OD2 ASP A 106 18.247 6.534 -6.066 1.00 0.00 O ATOM 0 H ASP A 106 16.127 7.286 -5.437 1.00 0.00 H new ATOM 0 HA ASP A 106 14.662 7.066 -7.720 1.00 0.00 H new ATOM 0 HB2 ASP A 106 16.622 4.889 -7.018 1.00 0.00 H new ATOM 0 HB3 ASP A 106 16.419 5.750 -8.531 1.00 0.00 H new ATOM 1688 N ALA A 107 14.460 4.195 -6.074 1.00 0.00 N ATOM 1689 CA ALA A 107 13.627 3.015 -5.883 1.00 0.00 C ATOM 1690 C ALA A 107 12.186 3.404 -5.571 1.00 0.00 C ATOM 1691 O ALA A 107 11.252 2.929 -6.216 1.00 0.00 O ATOM 1692 CB ALA A 107 14.193 2.143 -4.772 1.00 0.00 C ATOM 0 H ALA A 107 15.332 4.186 -5.545 1.00 0.00 H new ATOM 0 HA ALA A 107 13.628 2.446 -6.813 1.00 0.00 H new ATOM 0 HB1 ALA A 107 13.560 1.265 -4.640 1.00 0.00 H new ATOM 0 HB2 ALA A 107 15.202 1.827 -5.036 1.00 0.00 H new ATOM 0 HB3 ALA A 107 14.222 2.712 -3.842 1.00 0.00 H new ATOM 1698 N GLN A 108 12.014 4.271 -4.578 1.00 0.00 N ATOM 1699 CA GLN A 108 10.686 4.722 -4.180 1.00 0.00 C ATOM 1700 C GLN A 108 9.845 5.081 -5.400 1.00 0.00 C ATOM 1701 O GLN A 108 8.645 4.810 -5.440 1.00 0.00 O ATOM 1702 CB GLN A 108 10.793 5.929 -3.246 1.00 0.00 C ATOM 1703 CG GLN A 108 9.447 6.464 -2.786 1.00 0.00 C ATOM 1704 CD GLN A 108 9.578 7.662 -1.866 1.00 0.00 C ATOM 1705 OE1 GLN A 108 10.548 8.416 -1.945 1.00 0.00 O ATOM 1706 NE2 GLN A 108 8.599 7.843 -0.987 1.00 0.00 N ATOM 0 H GLN A 108 12.777 4.675 -4.035 1.00 0.00 H new ATOM 0 HA GLN A 108 10.195 3.905 -3.651 1.00 0.00 H new ATOM 0 HB2 GLN A 108 11.382 5.650 -2.372 1.00 0.00 H new ATOM 0 HB3 GLN A 108 11.336 6.725 -3.755 1.00 0.00 H new ATOM 0 HG2 GLN A 108 8.854 6.743 -3.657 1.00 0.00 H new ATOM 0 HG3 GLN A 108 8.903 5.673 -2.270 1.00 0.00 H new ATOM 0 HE21 GLN A 108 7.814 7.193 -0.957 1.00 0.00 H new ATOM 0 HE22 GLN A 108 8.632 8.632 -0.342 1.00 0.00 H new ATOM 1715 N GLU A 109 10.483 5.693 -6.393 1.00 0.00 N ATOM 1716 CA GLU A 109 9.791 6.090 -7.614 1.00 0.00 C ATOM 1717 C GLU A 109 9.430 4.870 -8.456 1.00 0.00 C ATOM 1718 O GLU A 109 8.320 4.769 -8.978 1.00 0.00 O ATOM 1719 CB GLU A 109 10.662 7.048 -8.431 1.00 0.00 C ATOM 1720 CG GLU A 109 10.253 7.147 -9.891 1.00 0.00 C ATOM 1721 CD GLU A 109 11.109 8.125 -10.671 1.00 0.00 C ATOM 1722 OE1 GLU A 109 12.273 7.787 -10.971 1.00 0.00 O ATOM 1723 OE2 GLU A 109 10.615 9.229 -10.982 1.00 0.00 O ATOM 0 H GLU A 109 11.476 5.924 -6.376 1.00 0.00 H new ATOM 0 HA GLU A 109 8.870 6.599 -7.330 1.00 0.00 H new ATOM 0 HB2 GLU A 109 10.616 8.040 -7.982 1.00 0.00 H new ATOM 0 HB3 GLU A 109 11.700 6.720 -8.375 1.00 0.00 H new ATOM 0 HG2 GLU A 109 10.322 6.162 -10.352 1.00 0.00 H new ATOM 0 HG3 GLU A 109 9.209 7.455 -9.952 1.00 0.00 H new ATOM 1730 N HIS A 110 10.377 3.946 -8.585 1.00 0.00 N ATOM 1731 CA HIS A 110 10.160 2.732 -9.364 1.00 0.00 C ATOM 1732 C HIS A 110 8.910 1.998 -8.888 1.00 0.00 C ATOM 1733 O HIS A 110 8.034 1.663 -9.687 1.00 0.00 O ATOM 1734 CB HIS A 110 11.376 1.811 -9.263 1.00 0.00 C ATOM 1735 CG HIS A 110 11.409 0.744 -10.313 1.00 0.00 C ATOM 1736 ND1 HIS A 110 12.049 0.900 -11.524 1.00 0.00 N ATOM 1737 CD2 HIS A 110 10.877 -0.501 -10.327 1.00 0.00 C ATOM 1738 CE1 HIS A 110 11.907 -0.202 -12.239 1.00 0.00 C ATOM 1739 NE2 HIS A 110 11.201 -1.068 -11.535 1.00 0.00 N ATOM 0 H HIS A 110 11.302 4.015 -8.160 1.00 0.00 H new ATOM 0 HA HIS A 110 10.017 3.019 -10.406 1.00 0.00 H new ATOM 0 HB2 HIS A 110 12.283 2.411 -9.338 1.00 0.00 H new ATOM 0 HB3 HIS A 110 11.385 1.341 -8.279 1.00 0.00 H new ATOM 0 HD2 HIS A 110 10.305 -0.962 -9.536 1.00 0.00 H new ATOM 0 HE1 HIS A 110 12.301 -0.367 -13.231 1.00 0.00 H new ATOM 0 HE2 HIS A 110 10.939 -2.006 -11.839 1.00 0.00 H new ATOM 1747 N ILE A 111 8.835 1.751 -7.585 1.00 0.00 N ATOM 1748 CA ILE A 111 7.692 1.057 -7.004 1.00 0.00 C ATOM 1749 C ILE A 111 6.413 1.871 -7.168 1.00 0.00 C ATOM 1750 O ILE A 111 5.356 1.328 -7.489 1.00 0.00 O ATOM 1751 CB ILE A 111 7.912 0.764 -5.508 1.00 0.00 C ATOM 1752 CG1 ILE A 111 9.141 -0.127 -5.316 1.00 0.00 C ATOM 1753 CG2 ILE A 111 6.677 0.108 -4.910 1.00 0.00 C ATOM 1754 CD1 ILE A 111 9.091 -1.407 -6.120 1.00 0.00 C ATOM 0 H ILE A 111 9.552 2.021 -6.911 1.00 0.00 H new ATOM 0 HA ILE A 111 7.591 0.113 -7.540 1.00 0.00 H new ATOM 0 HB ILE A 111 8.086 1.707 -4.990 1.00 0.00 H new ATOM 0 HG12 ILE A 111 10.033 0.433 -5.595 1.00 0.00 H new ATOM 0 HG13 ILE A 111 9.238 -0.375 -4.259 1.00 0.00 H new ATOM 0 HG21 ILE A 111 6.848 -0.093 -3.852 1.00 0.00 H new ATOM 0 HG22 ILE A 111 5.822 0.775 -5.019 1.00 0.00 H new ATOM 0 HG23 ILE A 111 6.475 -0.829 -5.429 1.00 0.00 H new ATOM 0 HD11 ILE A 111 9.994 -1.989 -5.935 1.00 0.00 H new ATOM 0 HD12 ILE A 111 8.218 -1.989 -5.824 1.00 0.00 H new ATOM 0 HD13 ILE A 111 9.025 -1.168 -7.181 1.00 0.00 H new ATOM 1766 N TYR A 112 6.517 3.177 -6.949 1.00 0.00 N ATOM 1767 CA TYR A 112 5.369 4.067 -7.071 1.00 0.00 C ATOM 1768 C TYR A 112 4.735 3.951 -8.454 1.00 0.00 C ATOM 1769 O TYR A 112 3.540 3.686 -8.583 1.00 0.00 O ATOM 1770 CB TYR A 112 5.788 5.515 -6.810 1.00 0.00 C ATOM 1771 CG TYR A 112 4.727 6.528 -7.174 1.00 0.00 C ATOM 1772 CD1 TYR A 112 4.434 6.811 -8.503 1.00 0.00 C ATOM 1773 CD2 TYR A 112 4.016 7.202 -6.189 1.00 0.00 C ATOM 1774 CE1 TYR A 112 3.466 7.736 -8.839 1.00 0.00 C ATOM 1775 CE2 TYR A 112 3.044 8.128 -6.517 1.00 0.00 C ATOM 1776 CZ TYR A 112 2.773 8.392 -7.843 1.00 0.00 C ATOM 1777 OH TYR A 112 1.807 9.314 -8.174 1.00 0.00 O ATOM 0 H TYR A 112 7.385 3.643 -6.686 1.00 0.00 H new ATOM 0 HA TYR A 112 4.631 3.770 -6.326 1.00 0.00 H new ATOM 0 HB2 TYR A 112 6.039 5.627 -5.755 1.00 0.00 H new ATOM 0 HB3 TYR A 112 6.693 5.730 -7.377 1.00 0.00 H new ATOM 0 HD1 TYR A 112 4.973 6.298 -9.286 1.00 0.00 H new ATOM 0 HD2 TYR A 112 4.226 6.999 -5.149 1.00 0.00 H new ATOM 0 HE1 TYR A 112 3.252 7.945 -9.877 1.00 0.00 H new ATOM 0 HE2 TYR A 112 2.499 8.642 -5.739 1.00 0.00 H new ATOM 0 HH TYR A 112 1.414 9.684 -7.356 1.00 0.00 H new ATOM 1787 N LYS A 113 5.546 4.151 -9.488 1.00 0.00 N ATOM 1788 CA LYS A 113 5.069 4.068 -10.863 1.00 0.00 C ATOM 1789 C LYS A 113 4.471 2.694 -11.149 1.00 0.00 C ATOM 1790 O LYS A 113 3.810 2.493 -12.169 1.00 0.00 O ATOM 1791 CB LYS A 113 6.212 4.351 -11.840 1.00 0.00 C ATOM 1792 CG LYS A 113 6.884 5.695 -11.615 1.00 0.00 C ATOM 1793 CD LYS A 113 8.115 5.856 -12.492 1.00 0.00 C ATOM 1794 CE LYS A 113 9.216 4.886 -12.091 1.00 0.00 C ATOM 1795 NZ LYS A 113 9.195 3.649 -12.920 1.00 0.00 N ATOM 0 H LYS A 113 6.538 4.372 -9.399 1.00 0.00 H new ATOM 0 HA LYS A 113 4.291 4.819 -10.997 1.00 0.00 H new ATOM 0 HB2 LYS A 113 6.958 3.561 -11.752 1.00 0.00 H new ATOM 0 HB3 LYS A 113 5.826 4.313 -12.859 1.00 0.00 H new ATOM 0 HG2 LYS A 113 6.177 6.497 -11.828 1.00 0.00 H new ATOM 0 HG3 LYS A 113 7.168 5.790 -10.567 1.00 0.00 H new ATOM 0 HD2 LYS A 113 7.844 5.690 -13.535 1.00 0.00 H new ATOM 0 HD3 LYS A 113 8.485 6.879 -12.418 1.00 0.00 H new ATOM 0 HE2 LYS A 113 10.185 5.375 -12.192 1.00 0.00 H new ATOM 0 HE3 LYS A 113 9.101 4.621 -11.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 9.016 2.826 -12.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 8.442 3.722 -13.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 10.113 3.535 -13.396 1.00 0.00 H new ATOM 1809 N LEU A 114 4.705 1.751 -10.243 1.00 0.00 N ATOM 1810 CA LEU A 114 4.188 0.396 -10.397 1.00 0.00 C ATOM 1811 C LEU A 114 2.860 0.233 -9.666 1.00 0.00 C ATOM 1812 O LEU A 114 1.823 -0.002 -10.286 1.00 0.00 O ATOM 1813 CB LEU A 114 5.202 -0.621 -9.869 1.00 0.00 C ATOM 1814 CG LEU A 114 4.630 -1.962 -9.408 1.00 0.00 C ATOM 1815 CD1 LEU A 114 4.576 -2.946 -10.566 1.00 0.00 C ATOM 1816 CD2 LEU A 114 5.455 -2.529 -8.262 1.00 0.00 C ATOM 0 H LEU A 114 5.250 1.900 -9.394 1.00 0.00 H new ATOM 0 HA LEU A 114 4.021 0.216 -11.459 1.00 0.00 H new ATOM 0 HB2 LEU A 114 5.936 -0.812 -10.652 1.00 0.00 H new ATOM 0 HB3 LEU A 114 5.737 -0.170 -9.033 1.00 0.00 H new ATOM 0 HG LEU A 114 3.614 -1.797 -9.050 1.00 0.00 H new ATOM 0 HD11 LEU A 114 4.166 -3.894 -10.219 1.00 0.00 H new ATOM 0 HD12 LEU A 114 3.941 -2.544 -11.356 1.00 0.00 H new ATOM 0 HD13 LEU A 114 5.582 -3.106 -10.955 1.00 0.00 H new ATOM 0 HD21 LEU A 114 5.033 -3.483 -7.947 1.00 0.00 H new ATOM 0 HD22 LEU A 114 6.483 -2.678 -8.593 1.00 0.00 H new ATOM 0 HD23 LEU A 114 5.441 -1.832 -7.424 1.00 0.00 H new ATOM 1828 N MET A 115 2.898 0.362 -8.343 1.00 0.00 N ATOM 1829 CA MET A 115 1.696 0.233 -7.528 1.00 0.00 C ATOM 1830 C MET A 115 0.564 1.088 -8.090 1.00 0.00 C ATOM 1831 O MET A 115 -0.607 0.717 -8.007 1.00 0.00 O ATOM 1832 CB MET A 115 1.988 0.640 -6.082 1.00 0.00 C ATOM 1833 CG MET A 115 3.057 -0.212 -5.416 1.00 0.00 C ATOM 1834 SD MET A 115 3.454 0.351 -3.750 1.00 0.00 S ATOM 1835 CE MET A 115 3.677 2.106 -4.030 1.00 0.00 C ATOM 0 H MET A 115 3.748 0.556 -7.813 1.00 0.00 H new ATOM 0 HA MET A 115 1.384 -0.811 -7.548 1.00 0.00 H new ATOM 0 HB2 MET A 115 2.302 1.684 -6.063 1.00 0.00 H new ATOM 0 HB3 MET A 115 1.068 0.574 -5.501 1.00 0.00 H new ATOM 0 HG2 MET A 115 2.718 -1.247 -5.375 1.00 0.00 H new ATOM 0 HG3 MET A 115 3.960 -0.197 -6.026 1.00 0.00 H new ATOM 0 HE1 MET A 115 4.658 2.411 -3.666 1.00 0.00 H new ATOM 0 HE2 MET A 115 3.604 2.316 -5.097 1.00 0.00 H new ATOM 0 HE3 MET A 115 2.904 2.660 -3.497 1.00 0.00 H new ATOM 1845 N LYS A 116 0.920 2.233 -8.661 1.00 0.00 N ATOM 1846 CA LYS A 116 -0.065 3.140 -9.237 1.00 0.00 C ATOM 1847 C LYS A 116 -0.970 2.407 -10.222 1.00 0.00 C ATOM 1848 O LYS A 116 -2.194 2.506 -10.147 1.00 0.00 O ATOM 1849 CB LYS A 116 0.635 4.305 -9.941 1.00 0.00 C ATOM 1850 CG LYS A 116 1.446 3.884 -11.154 1.00 0.00 C ATOM 1851 CD LYS A 116 2.093 5.078 -11.835 1.00 0.00 C ATOM 1852 CE LYS A 116 1.116 5.790 -12.758 1.00 0.00 C ATOM 1853 NZ LYS A 116 0.987 5.096 -14.070 1.00 0.00 N ATOM 0 H LYS A 116 1.885 2.555 -8.737 1.00 0.00 H new ATOM 0 HA LYS A 116 -0.681 3.530 -8.426 1.00 0.00 H new ATOM 0 HB2 LYS A 116 -0.114 5.034 -10.250 1.00 0.00 H new ATOM 0 HB3 LYS A 116 1.293 4.805 -9.230 1.00 0.00 H new ATOM 0 HG2 LYS A 116 2.217 3.176 -10.849 1.00 0.00 H new ATOM 0 HG3 LYS A 116 0.800 3.366 -11.863 1.00 0.00 H new ATOM 0 HD2 LYS A 116 2.457 5.776 -11.081 1.00 0.00 H new ATOM 0 HD3 LYS A 116 2.960 4.747 -12.407 1.00 0.00 H new ATOM 0 HE2 LYS A 116 0.139 5.846 -12.279 1.00 0.00 H new ATOM 0 HE3 LYS A 116 1.450 6.815 -12.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 0.313 5.612 -14.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 1.915 5.065 -14.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 0.644 4.126 -13.917 1.00 0.00 H new ATOM 1867 N SER A 117 -0.359 1.669 -11.143 1.00 0.00 N ATOM 1868 CA SER A 117 -1.109 0.920 -12.144 1.00 0.00 C ATOM 1869 C SER A 117 -0.862 -0.579 -12.000 1.00 0.00 C ATOM 1870 O SER A 117 -1.175 -1.360 -12.899 1.00 0.00 O ATOM 1871 CB SER A 117 -0.723 1.379 -13.551 1.00 0.00 C ATOM 1872 OG SER A 117 -1.534 0.757 -14.532 1.00 0.00 O ATOM 0 H SER A 117 0.654 1.574 -11.217 1.00 0.00 H new ATOM 0 HA SER A 117 -2.170 1.112 -11.985 1.00 0.00 H new ATOM 0 HB2 SER A 117 -0.825 2.462 -13.624 1.00 0.00 H new ATOM 0 HB3 SER A 117 0.325 1.144 -13.739 1.00 0.00 H new ATOM 0 HG SER A 117 -1.743 -0.158 -14.251 1.00 0.00 H new ATOM 1878 N ASP A 118 -0.299 -0.972 -10.863 1.00 0.00 N ATOM 1879 CA ASP A 118 -0.009 -2.377 -10.599 1.00 0.00 C ATOM 1880 C ASP A 118 -1.046 -2.977 -9.654 1.00 0.00 C ATOM 1881 O ASP A 118 -1.738 -3.933 -10.002 1.00 0.00 O ATOM 1882 CB ASP A 118 1.391 -2.528 -10.003 1.00 0.00 C ATOM 1883 CG ASP A 118 1.664 -3.938 -9.516 1.00 0.00 C ATOM 1884 OD1 ASP A 118 1.893 -4.824 -10.365 1.00 0.00 O ATOM 1885 OD2 ASP A 118 1.648 -4.155 -8.286 1.00 0.00 O ATOM 0 H ASP A 118 -0.034 -0.338 -10.109 1.00 0.00 H new ATOM 0 HA ASP A 118 -0.052 -2.916 -11.546 1.00 0.00 H new ATOM 0 HB2 ASP A 118 2.133 -2.256 -10.753 1.00 0.00 H new ATOM 0 HB3 ASP A 118 1.506 -1.831 -9.173 1.00 0.00 H new ATOM 1890 N SER A 119 -1.146 -2.409 -8.456 1.00 0.00 N ATOM 1891 CA SER A 119 -2.094 -2.890 -7.459 1.00 0.00 C ATOM 1892 C SER A 119 -3.376 -2.063 -7.483 1.00 0.00 C ATOM 1893 O SER A 119 -4.476 -2.606 -7.587 1.00 0.00 O ATOM 1894 CB SER A 119 -1.468 -2.840 -6.063 1.00 0.00 C ATOM 1895 OG SER A 119 -0.470 -3.836 -5.916 1.00 0.00 O ATOM 0 H SER A 119 -0.582 -1.615 -8.153 1.00 0.00 H new ATOM 0 HA SER A 119 -2.344 -3.923 -7.701 1.00 0.00 H new ATOM 0 HB2 SER A 119 -1.032 -1.856 -5.891 1.00 0.00 H new ATOM 0 HB3 SER A 119 -2.242 -2.982 -5.309 1.00 0.00 H new ATOM 0 HG SER A 119 -0.817 -4.569 -5.365 1.00 0.00 H new ATOM 1901 N TYR A 120 -3.225 -0.747 -7.387 1.00 0.00 N ATOM 1902 CA TYR A 120 -4.369 0.156 -7.396 1.00 0.00 C ATOM 1903 C TYR A 120 -5.473 -0.371 -8.308 1.00 0.00 C ATOM 1904 O TYR A 120 -6.638 -0.466 -7.923 1.00 0.00 O ATOM 1905 CB TYR A 120 -3.940 1.552 -7.851 1.00 0.00 C ATOM 1906 CG TYR A 120 -4.657 2.671 -7.130 1.00 0.00 C ATOM 1907 CD1 TYR A 120 -4.373 2.964 -5.803 1.00 0.00 C ATOM 1908 CD2 TYR A 120 -5.619 3.437 -7.778 1.00 0.00 C ATOM 1909 CE1 TYR A 120 -5.026 3.985 -5.140 1.00 0.00 C ATOM 1910 CE2 TYR A 120 -6.277 4.460 -7.124 1.00 0.00 C ATOM 1911 CZ TYR A 120 -5.977 4.730 -5.805 1.00 0.00 C ATOM 1912 OH TYR A 120 -6.630 5.749 -5.149 1.00 0.00 O ATOM 0 H TYR A 120 -2.321 -0.282 -7.302 1.00 0.00 H new ATOM 0 HA TYR A 120 -4.760 0.216 -6.380 1.00 0.00 H new ATOM 0 HB2 TYR A 120 -2.866 1.661 -7.697 1.00 0.00 H new ATOM 0 HB3 TYR A 120 -4.120 1.647 -8.922 1.00 0.00 H new ATOM 0 HD1 TYR A 120 -3.628 2.383 -5.280 1.00 0.00 H new ATOM 0 HD2 TYR A 120 -5.856 3.229 -8.811 1.00 0.00 H new ATOM 0 HE1 TYR A 120 -4.793 4.198 -4.107 1.00 0.00 H new ATOM 0 HE2 TYR A 120 -7.022 5.045 -7.642 1.00 0.00 H new ATOM 0 HH TYR A 120 -6.247 6.610 -5.418 1.00 0.00 H new ATOM 1922 N PRO A 121 -5.097 -0.723 -9.546 1.00 0.00 N ATOM 1923 CA PRO A 121 -6.039 -1.249 -10.540 1.00 0.00 C ATOM 1924 C PRO A 121 -6.924 -2.353 -9.972 1.00 0.00 C ATOM 1925 O PRO A 121 -8.151 -2.258 -10.006 1.00 0.00 O ATOM 1926 CB PRO A 121 -5.125 -1.805 -11.635 1.00 0.00 C ATOM 1927 CG PRO A 121 -3.867 -1.018 -11.514 1.00 0.00 C ATOM 1928 CD PRO A 121 -3.725 -0.636 -10.073 1.00 0.00 C ATOM 0 HA PRO A 121 -6.731 -0.484 -10.892 1.00 0.00 H new ATOM 0 HB2 PRO A 121 -4.941 -2.870 -11.494 1.00 0.00 H new ATOM 0 HB3 PRO A 121 -5.572 -1.687 -12.622 1.00 0.00 H new ATOM 0 HG2 PRO A 121 -3.011 -1.607 -11.843 1.00 0.00 H new ATOM 0 HG3 PRO A 121 -3.905 -0.131 -12.146 1.00 0.00 H new ATOM 0 HD2 PRO A 121 -3.051 -1.311 -9.545 1.00 0.00 H new ATOM 0 HD3 PRO A 121 -3.318 0.370 -9.965 1.00 0.00 H new ATOM 1936 N ARG A 122 -6.293 -3.400 -9.450 1.00 0.00 N ATOM 1937 CA ARG A 122 -7.024 -4.524 -8.876 1.00 0.00 C ATOM 1938 C ARG A 122 -7.977 -4.050 -7.782 1.00 0.00 C ATOM 1939 O ARG A 122 -9.134 -4.468 -7.728 1.00 0.00 O ATOM 1940 CB ARG A 122 -6.050 -5.556 -8.306 1.00 0.00 C ATOM 1941 CG ARG A 122 -5.330 -6.367 -9.372 1.00 0.00 C ATOM 1942 CD ARG A 122 -4.457 -7.448 -8.754 1.00 0.00 C ATOM 1943 NE ARG A 122 -5.250 -8.507 -8.137 1.00 0.00 N ATOM 1944 CZ ARG A 122 -4.726 -9.497 -7.423 1.00 0.00 C ATOM 1945 NH1 ARG A 122 -3.415 -9.563 -7.237 1.00 0.00 N ATOM 1946 NH2 ARG A 122 -5.514 -10.424 -6.894 1.00 0.00 N ATOM 0 H ARG A 122 -5.278 -3.493 -9.413 1.00 0.00 H new ATOM 0 HA ARG A 122 -7.610 -4.987 -9.670 1.00 0.00 H new ATOM 0 HB2 ARG A 122 -5.311 -5.044 -7.690 1.00 0.00 H new ATOM 0 HB3 ARG A 122 -6.596 -6.235 -7.651 1.00 0.00 H new ATOM 0 HG2 ARG A 122 -6.061 -6.825 -10.038 1.00 0.00 H new ATOM 0 HG3 ARG A 122 -4.715 -5.705 -9.981 1.00 0.00 H new ATOM 0 HD2 ARG A 122 -3.814 -7.878 -9.522 1.00 0.00 H new ATOM 0 HD3 ARG A 122 -3.803 -7.001 -8.005 1.00 0.00 H new ATOM 0 HE ARG A 122 -6.262 -8.486 -8.261 1.00 0.00 H new ATOM 0 HH11 ARG A 122 -2.806 -8.852 -7.643 1.00 0.00 H new ATOM 0 HH12 ARG A 122 -3.015 -10.324 -6.688 1.00 0.00 H new ATOM 0 HH21 ARG A 122 -6.523 -10.377 -7.035 1.00 0.00 H new ATOM 0 HH22 ARG A 122 -5.111 -11.184 -6.346 1.00 0.00 H new ATOM 1960 N PHE A 123 -7.482 -3.176 -6.912 1.00 0.00 N ATOM 1961 CA PHE A 123 -8.289 -2.647 -5.818 1.00 0.00 C ATOM 1962 C PHE A 123 -9.693 -2.293 -6.299 1.00 0.00 C ATOM 1963 O PHE A 123 -10.682 -2.569 -5.619 1.00 0.00 O ATOM 1964 CB PHE A 123 -7.619 -1.411 -5.214 1.00 0.00 C ATOM 1965 CG PHE A 123 -8.049 -1.125 -3.804 1.00 0.00 C ATOM 1966 CD1 PHE A 123 -8.002 -2.115 -2.836 1.00 0.00 C ATOM 1967 CD2 PHE A 123 -8.503 0.135 -3.446 1.00 0.00 C ATOM 1968 CE1 PHE A 123 -8.397 -1.855 -1.537 1.00 0.00 C ATOM 1969 CE2 PHE A 123 -8.899 0.401 -2.149 1.00 0.00 C ATOM 1970 CZ PHE A 123 -8.847 -0.595 -1.194 1.00 0.00 C ATOM 0 H PHE A 123 -6.527 -2.819 -6.943 1.00 0.00 H new ATOM 0 HA PHE A 123 -8.370 -3.419 -5.053 1.00 0.00 H new ATOM 0 HB2 PHE A 123 -6.538 -1.547 -5.235 1.00 0.00 H new ATOM 0 HB3 PHE A 123 -7.844 -0.545 -5.837 1.00 0.00 H new ATOM 0 HD1 PHE A 123 -7.652 -3.102 -3.100 1.00 0.00 H new ATOM 0 HD2 PHE A 123 -8.548 0.917 -4.189 1.00 0.00 H new ATOM 0 HE1 PHE A 123 -8.354 -2.636 -0.792 1.00 0.00 H new ATOM 0 HE2 PHE A 123 -9.249 1.387 -1.882 1.00 0.00 H new ATOM 0 HZ PHE A 123 -9.158 -0.389 -0.180 1.00 0.00 H new ATOM 1980 N ILE A 124 -9.772 -1.680 -7.475 1.00 0.00 N ATOM 1981 CA ILE A 124 -11.054 -1.289 -8.048 1.00 0.00 C ATOM 1982 C ILE A 124 -11.852 -2.509 -8.494 1.00 0.00 C ATOM 1983 O ILE A 124 -13.075 -2.548 -8.357 1.00 0.00 O ATOM 1984 CB ILE A 124 -10.869 -0.343 -9.250 1.00 0.00 C ATOM 1985 CG1 ILE A 124 -10.114 0.918 -8.823 1.00 0.00 C ATOM 1986 CG2 ILE A 124 -12.218 0.019 -9.851 1.00 0.00 C ATOM 1987 CD1 ILE A 124 -8.619 0.827 -9.035 1.00 0.00 C ATOM 0 H ILE A 124 -8.963 -1.443 -8.050 1.00 0.00 H new ATOM 0 HA ILE A 124 -11.603 -0.765 -7.265 1.00 0.00 H new ATOM 0 HB ILE A 124 -10.280 -0.856 -10.010 1.00 0.00 H new ATOM 0 HG12 ILE A 124 -10.501 1.770 -9.382 1.00 0.00 H new ATOM 0 HG13 ILE A 124 -10.312 1.111 -7.769 1.00 0.00 H new ATOM 0 HG21 ILE A 124 -12.071 0.688 -10.699 1.00 0.00 H new ATOM 0 HG22 ILE A 124 -12.722 -0.887 -10.187 1.00 0.00 H new ATOM 0 HG23 ILE A 124 -12.830 0.517 -9.099 1.00 0.00 H new ATOM 0 HD11 ILE A 124 -8.148 1.755 -8.711 1.00 0.00 H new ATOM 0 HD12 ILE A 124 -8.219 -0.005 -8.455 1.00 0.00 H new ATOM 0 HD13 ILE A 124 -8.411 0.665 -10.093 1.00 0.00 H new ATOM 1999 N ARG A 125 -11.151 -3.505 -9.027 1.00 0.00 N ATOM 2000 CA ARG A 125 -11.794 -4.728 -9.492 1.00 0.00 C ATOM 2001 C ARG A 125 -12.546 -5.413 -8.355 1.00 0.00 C ATOM 2002 O ARG A 125 -13.751 -5.650 -8.449 1.00 0.00 O ATOM 2003 CB ARG A 125 -10.755 -5.684 -10.080 1.00 0.00 C ATOM 2004 CG ARG A 125 -9.801 -5.019 -11.059 1.00 0.00 C ATOM 2005 CD ARG A 125 -10.535 -4.493 -12.283 1.00 0.00 C ATOM 2006 NE ARG A 125 -9.888 -3.310 -12.843 1.00 0.00 N ATOM 2007 CZ ARG A 125 -10.252 -2.746 -13.989 1.00 0.00 C ATOM 2008 NH1 ARG A 125 -11.254 -3.254 -14.693 1.00 0.00 N ATOM 2009 NH2 ARG A 125 -9.614 -1.670 -14.433 1.00 0.00 N ATOM 0 H ARG A 125 -10.138 -3.489 -9.147 1.00 0.00 H new ATOM 0 HA ARG A 125 -12.511 -4.459 -10.268 1.00 0.00 H new ATOM 0 HB2 ARG A 125 -10.179 -6.125 -9.267 1.00 0.00 H new ATOM 0 HB3 ARG A 125 -11.270 -6.501 -10.586 1.00 0.00 H new ATOM 0 HG2 ARG A 125 -9.283 -4.198 -10.563 1.00 0.00 H new ATOM 0 HG3 ARG A 125 -9.040 -5.735 -11.370 1.00 0.00 H new ATOM 0 HD2 ARG A 125 -10.581 -5.274 -13.042 1.00 0.00 H new ATOM 0 HD3 ARG A 125 -11.563 -4.250 -12.013 1.00 0.00 H new ATOM 0 HE ARG A 125 -9.114 -2.894 -12.326 1.00 0.00 H new ATOM 0 HH11 ARG A 125 -11.748 -4.080 -14.355 1.00 0.00 H new ATOM 0 HH12 ARG A 125 -11.531 -2.819 -15.573 1.00 0.00 H new ATOM 0 HH21 ARG A 125 -8.843 -1.275 -13.894 1.00 0.00 H new ATOM 0 HH22 ARG A 125 -9.894 -1.238 -15.313 1.00 0.00 H new ATOM 2023 N SER A 126 -11.827 -5.730 -7.283 1.00 0.00 N ATOM 2024 CA SER A 126 -12.425 -6.393 -6.130 1.00 0.00 C ATOM 2025 C SER A 126 -13.521 -5.527 -5.514 1.00 0.00 C ATOM 2026 O SER A 126 -13.704 -4.372 -5.898 1.00 0.00 O ATOM 2027 CB SER A 126 -11.355 -6.703 -5.082 1.00 0.00 C ATOM 2028 OG SER A 126 -11.697 -7.854 -4.329 1.00 0.00 O ATOM 0 H SER A 126 -10.830 -5.538 -7.189 1.00 0.00 H new ATOM 0 HA SER A 126 -12.872 -7.327 -6.470 1.00 0.00 H new ATOM 0 HB2 SER A 126 -10.394 -6.858 -5.573 1.00 0.00 H new ATOM 0 HB3 SER A 126 -11.237 -5.849 -4.414 1.00 0.00 H new ATOM 0 HG SER A 126 -10.996 -8.032 -3.667 1.00 0.00 H new ATOM 2034 N SER A 127 -14.247 -6.096 -4.557 1.00 0.00 N ATOM 2035 CA SER A 127 -15.327 -5.379 -3.890 1.00 0.00 C ATOM 2036 C SER A 127 -14.815 -4.662 -2.644 1.00 0.00 C ATOM 2037 O SER A 127 -15.326 -3.607 -2.269 1.00 0.00 O ATOM 2038 CB SER A 127 -16.451 -6.346 -3.510 1.00 0.00 C ATOM 2039 OG SER A 127 -17.116 -6.833 -4.662 1.00 0.00 O ATOM 0 H SER A 127 -14.107 -7.051 -4.226 1.00 0.00 H new ATOM 0 HA SER A 127 -15.717 -4.633 -4.583 1.00 0.00 H new ATOM 0 HB2 SER A 127 -16.040 -7.181 -2.943 1.00 0.00 H new ATOM 0 HB3 SER A 127 -17.166 -5.841 -2.860 1.00 0.00 H new ATOM 0 HG SER A 127 -17.828 -7.450 -4.392 1.00 0.00 H new ATOM 2045 N ALA A 128 -13.803 -5.243 -2.009 1.00 0.00 N ATOM 2046 CA ALA A 128 -13.220 -4.659 -0.807 1.00 0.00 C ATOM 2047 C ALA A 128 -13.185 -3.137 -0.897 1.00 0.00 C ATOM 2048 O ALA A 128 -13.416 -2.442 0.092 1.00 0.00 O ATOM 2049 CB ALA A 128 -11.819 -5.208 -0.580 1.00 0.00 C ATOM 0 H ALA A 128 -13.370 -6.117 -2.306 1.00 0.00 H new ATOM 0 HA ALA A 128 -13.848 -4.932 0.041 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -11.396 -4.764 0.321 1.00 0.00 H new ATOM 0 HB2 ALA A 128 -11.867 -6.291 -0.462 1.00 0.00 H new ATOM 0 HB3 ALA A 128 -11.189 -4.964 -1.436 1.00 0.00 H new ATOM 2055 N TYR A 129 -12.895 -2.626 -2.088 1.00 0.00 N ATOM 2056 CA TYR A 129 -12.827 -1.186 -2.307 1.00 0.00 C ATOM 2057 C TYR A 129 -14.225 -0.586 -2.419 1.00 0.00 C ATOM 2058 O TYR A 129 -14.498 0.483 -1.873 1.00 0.00 O ATOM 2059 CB TYR A 129 -12.024 -0.878 -3.572 1.00 0.00 C ATOM 2060 CG TYR A 129 -12.338 0.473 -4.174 1.00 0.00 C ATOM 2061 CD1 TYR A 129 -13.393 0.630 -5.065 1.00 0.00 C ATOM 2062 CD2 TYR A 129 -11.580 1.592 -3.853 1.00 0.00 C ATOM 2063 CE1 TYR A 129 -13.683 1.862 -5.618 1.00 0.00 C ATOM 2064 CE2 TYR A 129 -11.863 2.828 -4.400 1.00 0.00 C ATOM 2065 CZ TYR A 129 -12.916 2.958 -5.282 1.00 0.00 C ATOM 2066 OH TYR A 129 -13.200 4.188 -5.831 1.00 0.00 O ATOM 0 H TYR A 129 -12.703 -3.188 -2.917 1.00 0.00 H new ATOM 0 HA TYR A 129 -12.326 -0.737 -1.449 1.00 0.00 H new ATOM 0 HB2 TYR A 129 -10.961 -0.924 -3.337 1.00 0.00 H new ATOM 0 HB3 TYR A 129 -12.220 -1.652 -4.314 1.00 0.00 H new ATOM 0 HD1 TYR A 129 -13.996 -0.226 -5.329 1.00 0.00 H new ATOM 0 HD2 TYR A 129 -10.755 1.494 -3.163 1.00 0.00 H new ATOM 0 HE1 TYR A 129 -14.506 1.967 -6.310 1.00 0.00 H new ATOM 0 HE2 TYR A 129 -11.264 3.688 -4.139 1.00 0.00 H new ATOM 0 HH TYR A 129 -12.566 4.853 -5.489 1.00 0.00 H new ATOM 2076 N GLN A 130 -15.106 -1.282 -3.131 1.00 0.00 N ATOM 2077 CA GLN A 130 -16.476 -0.818 -3.315 1.00 0.00 C ATOM 2078 C GLN A 130 -17.216 -0.762 -1.983 1.00 0.00 C ATOM 2079 O GLN A 130 -18.054 0.111 -1.764 1.00 0.00 O ATOM 2080 CB GLN A 130 -17.220 -1.734 -4.288 1.00 0.00 C ATOM 2081 CG GLN A 130 -16.544 -1.861 -5.643 1.00 0.00 C ATOM 2082 CD GLN A 130 -17.007 -0.804 -6.627 1.00 0.00 C ATOM 2083 OE1 GLN A 130 -18.029 -0.150 -6.418 1.00 0.00 O ATOM 2084 NE2 GLN A 130 -16.255 -0.632 -7.708 1.00 0.00 N ATOM 0 H GLN A 130 -14.895 -2.169 -3.589 1.00 0.00 H new ATOM 0 HA GLN A 130 -16.439 0.189 -3.731 1.00 0.00 H new ATOM 0 HB2 GLN A 130 -17.312 -2.725 -3.843 1.00 0.00 H new ATOM 0 HB3 GLN A 130 -18.232 -1.354 -4.430 1.00 0.00 H new ATOM 0 HG2 GLN A 130 -15.464 -1.785 -5.515 1.00 0.00 H new ATOM 0 HG3 GLN A 130 -16.747 -2.850 -6.055 1.00 0.00 H new ATOM 0 HE21 GLN A 130 -15.416 -1.196 -7.841 1.00 0.00 H new ATOM 0 HE22 GLN A 130 -16.517 0.065 -8.406 1.00 0.00 H new ATOM 2093 N GLU A 131 -16.900 -1.701 -1.096 1.00 0.00 N ATOM 2094 CA GLU A 131 -17.536 -1.759 0.214 1.00 0.00 C ATOM 2095 C GLU A 131 -17.814 -0.356 0.746 1.00 0.00 C ATOM 2096 O GLU A 131 -18.968 0.039 0.918 1.00 0.00 O ATOM 2097 CB GLU A 131 -16.654 -2.525 1.201 1.00 0.00 C ATOM 2098 CG GLU A 131 -16.294 -3.926 0.735 1.00 0.00 C ATOM 2099 CD GLU A 131 -17.467 -4.650 0.104 1.00 0.00 C ATOM 2100 OE1 GLU A 131 -17.668 -4.498 -1.119 1.00 0.00 O ATOM 2101 OE2 GLU A 131 -18.182 -5.369 0.832 1.00 0.00 O ATOM 0 H GLU A 131 -16.207 -2.431 -1.261 1.00 0.00 H new ATOM 0 HA GLU A 131 -18.486 -2.283 0.105 1.00 0.00 H new ATOM 0 HB2 GLU A 131 -15.737 -1.960 1.370 1.00 0.00 H new ATOM 0 HB3 GLU A 131 -17.169 -2.591 2.160 1.00 0.00 H new ATOM 0 HG2 GLU A 131 -15.478 -3.867 0.015 1.00 0.00 H new ATOM 0 HG3 GLU A 131 -15.929 -4.504 1.584 1.00 0.00 H new ATOM 2108 N LEU A 132 -16.748 0.393 1.006 1.00 0.00 N ATOM 2109 CA LEU A 132 -16.875 1.753 1.520 1.00 0.00 C ATOM 2110 C LEU A 132 -17.862 2.561 0.684 1.00 0.00 C ATOM 2111 O LEU A 132 -18.770 3.198 1.219 1.00 0.00 O ATOM 2112 CB LEU A 132 -15.511 2.445 1.529 1.00 0.00 C ATOM 2113 CG LEU A 132 -14.376 1.681 2.212 1.00 0.00 C ATOM 2114 CD1 LEU A 132 -14.900 0.902 3.408 1.00 0.00 C ATOM 2115 CD2 LEU A 132 -13.691 0.749 1.223 1.00 0.00 C ATOM 0 H LEU A 132 -15.786 0.082 0.870 1.00 0.00 H new ATOM 0 HA LEU A 132 -17.253 1.696 2.541 1.00 0.00 H new ATOM 0 HB2 LEU A 132 -15.220 2.643 0.498 1.00 0.00 H new ATOM 0 HB3 LEU A 132 -15.619 3.412 2.021 1.00 0.00 H new ATOM 0 HG LEU A 132 -13.641 2.402 2.570 1.00 0.00 H new ATOM 0 HD11 LEU A 132 -14.078 0.365 3.881 1.00 0.00 H new ATOM 0 HD12 LEU A 132 -15.343 1.592 4.126 1.00 0.00 H new ATOM 0 HD13 LEU A 132 -15.655 0.190 3.076 1.00 0.00 H new ATOM 0 HD21 LEU A 132 -12.886 0.213 1.726 1.00 0.00 H new ATOM 0 HD22 LEU A 132 -14.416 0.034 0.835 1.00 0.00 H new ATOM 0 HD23 LEU A 132 -13.280 1.332 0.399 1.00 0.00 H new ATOM 2127 N LEU A 133 -17.680 2.528 -0.632 1.00 0.00 N ATOM 2128 CA LEU A 133 -18.557 3.255 -1.544 1.00 0.00 C ATOM 2129 C LEU A 133 -20.021 2.926 -1.271 1.00 0.00 C ATOM 2130 O LEU A 133 -20.820 3.812 -0.967 1.00 0.00 O ATOM 2131 CB LEU A 133 -18.209 2.918 -2.995 1.00 0.00 C ATOM 2132 CG LEU A 133 -17.159 3.811 -3.658 1.00 0.00 C ATOM 2133 CD1 LEU A 133 -16.439 3.056 -4.764 1.00 0.00 C ATOM 2134 CD2 LEU A 133 -17.804 5.076 -4.206 1.00 0.00 C ATOM 0 H LEU A 133 -16.934 2.006 -1.091 1.00 0.00 H new ATOM 0 HA LEU A 133 -18.407 4.322 -1.379 1.00 0.00 H new ATOM 0 HB2 LEU A 133 -17.857 1.887 -3.033 1.00 0.00 H new ATOM 0 HB3 LEU A 133 -19.123 2.965 -3.587 1.00 0.00 H new ATOM 0 HG LEU A 133 -16.426 4.098 -2.905 1.00 0.00 H new ATOM 0 HD11 LEU A 133 -15.696 3.707 -5.225 1.00 0.00 H new ATOM 0 HD12 LEU A 133 -15.944 2.180 -4.344 1.00 0.00 H new ATOM 0 HD13 LEU A 133 -17.160 2.739 -5.517 1.00 0.00 H new ATOM 0 HD21 LEU A 133 -17.042 5.699 -4.674 1.00 0.00 H new ATOM 0 HD22 LEU A 133 -18.559 4.809 -4.946 1.00 0.00 H new ATOM 0 HD23 LEU A 133 -18.274 5.627 -3.391 1.00 0.00 H new ATOM 2146 N SER A 134 -20.365 1.647 -1.379 1.00 0.00 N ATOM 2147 CA SER A 134 -21.733 1.201 -1.145 1.00 0.00 C ATOM 2148 C SER A 134 -22.233 1.672 0.218 1.00 0.00 C ATOM 2149 O SER A 134 -23.256 2.348 0.316 1.00 0.00 O ATOM 2150 CB SER A 134 -21.817 -0.324 -1.231 1.00 0.00 C ATOM 2151 OG SER A 134 -23.040 -0.799 -0.697 1.00 0.00 O ATOM 0 H SER A 134 -19.715 0.901 -1.627 1.00 0.00 H new ATOM 0 HA SER A 134 -22.367 1.637 -1.917 1.00 0.00 H new ATOM 0 HB2 SER A 134 -21.724 -0.638 -2.271 1.00 0.00 H new ATOM 0 HB3 SER A 134 -20.983 -0.768 -0.688 1.00 0.00 H new ATOM 0 HG SER A 134 -23.069 -1.776 -0.765 1.00 0.00 H new ATOM 2157 N GLY A 135 -21.502 1.309 1.267 1.00 0.00 N ATOM 2158 CA GLY A 135 -21.885 1.703 2.610 1.00 0.00 C ATOM 2159 C GLY A 135 -23.233 1.140 3.017 1.00 0.00 C ATOM 2160 O GLY A 135 -24.285 1.644 2.622 1.00 0.00 O ATOM 0 H GLY A 135 -20.651 0.749 1.211 1.00 0.00 H new ATOM 0 HA2 GLY A 135 -21.126 1.365 3.315 1.00 0.00 H new ATOM 0 HA3 GLY A 135 -21.915 2.791 2.672 1.00 0.00 H new ATOM 2164 N PRO A 136 -23.212 0.069 3.824 1.00 0.00 N ATOM 2165 CA PRO A 136 -24.433 -0.587 4.301 1.00 0.00 C ATOM 2166 C PRO A 136 -25.201 0.273 5.299 1.00 0.00 C ATOM 2167 O PRO A 136 -26.064 -0.222 6.024 1.00 0.00 O ATOM 2168 CB PRO A 136 -23.912 -1.857 4.978 1.00 0.00 C ATOM 2169 CG PRO A 136 -22.518 -1.525 5.383 1.00 0.00 C ATOM 2170 CD PRO A 136 -21.994 -0.583 4.334 1.00 0.00 C ATOM 0 HA PRO A 136 -25.137 -0.778 3.491 1.00 0.00 H new ATOM 0 HB2 PRO A 136 -24.522 -2.124 5.841 1.00 0.00 H new ATOM 0 HB3 PRO A 136 -23.934 -2.707 4.296 1.00 0.00 H new ATOM 0 HG2 PRO A 136 -22.498 -1.061 6.369 1.00 0.00 H new ATOM 0 HG3 PRO A 136 -21.904 -2.424 5.442 1.00 0.00 H new ATOM 0 HD2 PRO A 136 -21.297 0.141 4.756 1.00 0.00 H new ATOM 0 HD3 PRO A 136 -21.462 -1.115 3.545 1.00 0.00 H new ATOM 2178 N SER A 137 -24.882 1.563 5.331 1.00 0.00 N ATOM 2179 CA SER A 137 -25.540 2.491 6.243 1.00 0.00 C ATOM 2180 C SER A 137 -26.997 2.096 6.462 1.00 0.00 C ATOM 2181 O SER A 137 -27.491 2.105 7.590 1.00 0.00 O ATOM 2182 CB SER A 137 -25.464 3.918 5.695 1.00 0.00 C ATOM 2183 OG SER A 137 -26.405 4.115 4.653 1.00 0.00 O ATOM 0 H SER A 137 -24.172 1.989 4.736 1.00 0.00 H new ATOM 0 HA SER A 137 -25.022 2.449 7.201 1.00 0.00 H new ATOM 0 HB2 SER A 137 -25.652 4.630 6.499 1.00 0.00 H new ATOM 0 HB3 SER A 137 -24.458 4.115 5.323 1.00 0.00 H new ATOM 0 HG SER A 137 -26.338 5.035 4.321 1.00 0.00 H new ATOM 2189 N SER A 138 -27.680 1.748 5.376 1.00 0.00 N ATOM 2190 CA SER A 138 -29.082 1.353 5.448 1.00 0.00 C ATOM 2191 C SER A 138 -29.258 -0.102 5.025 1.00 0.00 C ATOM 2192 O SER A 138 -28.409 -0.668 4.338 1.00 0.00 O ATOM 2193 CB SER A 138 -29.936 2.261 4.561 1.00 0.00 C ATOM 2194 OG SER A 138 -30.050 3.558 5.120 1.00 0.00 O ATOM 0 H SER A 138 -27.285 1.732 4.436 1.00 0.00 H new ATOM 0 HA SER A 138 -29.410 1.455 6.482 1.00 0.00 H new ATOM 0 HB2 SER A 138 -29.491 2.327 3.568 1.00 0.00 H new ATOM 0 HB3 SER A 138 -30.928 1.826 4.438 1.00 0.00 H new ATOM 0 HG SER A 138 -30.599 4.120 4.534 1.00 0.00 H new ATOM 2200 N GLY A 139 -30.369 -0.703 5.441 1.00 0.00 N ATOM 2201 CA GLY A 139 -30.638 -2.086 5.096 1.00 0.00 C ATOM 2202 C GLY A 139 -31.898 -2.243 4.268 1.00 0.00 C ATOM 2203 O GLY A 139 -32.785 -1.391 4.309 1.00 0.00 O ATOM 0 H GLY A 139 -31.087 -0.256 6.011 1.00 0.00 H new ATOM 0 HA2 GLY A 139 -29.791 -2.490 4.542 1.00 0.00 H new ATOM 0 HA3 GLY A 139 -30.732 -2.673 6.009 1.00 0.00 H new TER 2207 GLY A 139