USER MOD reduce.3.24.130724 H: found=0, std=0, add=1071, rem=0, adj=48 USER MOD reduce.3.24.130724 removed 1067 hydrogens (84 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 NoAdj-H: A 202 CHO HOT : A 202 CHO OT2 : A 202 CHO C27 :(short bond) USER MOD Set 1.1: A 8 MET CE :methyl 165:sc= -3.42 (180deg=-4.03!) USER MOD Set 1.2: A 201 GCH O4 : rot 14:sc= 0.0877 USER MOD Set 2.1: A 99 GLN : amide:sc= -1.26 K(o=1.2,f=-7.1!) USER MOD Set 2.2: A 101 SER OG : rot -36:sc= 1.21 USER MOD Set 2.3: A 201 GCH O : rot -7:sc= 0.164 USER MOD Set 2.4: A 201 GCH O1 : rot -90:sc= 1.2 USER MOD Set 2.5: A 202 CHO O3 : rot 10:sc= -0.0648 USER MOD Set 3.1: A 97 TYR OH : rot -32:sc= 0.0732 USER MOD Set 3.2: A 112 SER OG : rot 180:sc= 0.121 USER MOD Set 4.1: A 72 GLN : amide:sc= 0.821 K(o=1.5,f=0) USER MOD Set 4.2: A 78 THR OG1 : rot 180:sc= 0.725 USER MOD Set 5.1: A 51 GLN : amide:sc= -1.45 K(o=0.38,f=0.92) USER MOD Set 5.2: A 61 ASN : amide:sc= 0.627 K(o=0.38,f=-0.69) USER MOD Set 5.3: A 74 MET CE :methyl 160:sc= -0.64 (180deg=-1.96) USER MOD Set 5.4: A 201 GCH O3 : rot -46:sc= 2 USER MOD Set 5.5: A 202 CHO O7 : rot -135:sc= -0.153 USER MOD Set 6.1: A 60 THR OG1 : rot -100:sc= 0.532 USER MOD Set 6.2: A 62 LYS NZ :NH3+ 160:sc= 0.582 (180deg=0) USER MOD Set 7.1: A 50 SER OG : rot -167:sc= 0.208 USER MOD Set 7.2: A 52 HIS : no HE2:sc= -1.41 K(o=-1.1,f=-2.9!) USER MOD Set 7.3: A 58 THR OG1 : rot -106:sc= 0.0979 USER MOD Set 8.1: A 3 THR OG1 : rot 180:sc= 0.24 USER MOD Set 8.2: A 42 GLN : amide:sc= 0.49 K(o=0.73,f=-4.5!) USER MOD Single : A 1 ALA N :NH3+ -110:sc= 0.159 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ -164:sc= -0.21 (180deg=-0.431) USER MOD Single : A 10 SER OG : rot 41:sc= 1.28 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 ASN : amide:sc= -0.335 X(o=-0.33,f=-0.34) USER MOD Single : A 14 TYR OH : rot 100:sc= 0.00122 USER MOD Single : A 18 MET CE :methyl -175:sc= -1.41 (180deg=-1.83) USER MOD Single : A 19 LYS NZ :NH3+ 154:sc= 0.762 (180deg=-0.816!) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= -0.0214 USER MOD Single : A 30 LYS NZ :NH3+ -170:sc= 1.61 (180deg=1.25) USER MOD Single : A 33 ASN : amide:sc= 0.491 X(o=0.49,f=-0.0091) USER MOD Single : A 35 LYS NZ :NH3+ -138:sc= 1.93 (180deg=0.75) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 45 GLN : amide:sc= 0 K(o=0,f=-2.5!) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 TYR OH : rot 124:sc= 1.4 USER MOD Single : A 54 SER OG : rot 101:sc= 0.128 USER MOD Single : A 57 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 59 MET CE :methyl -163:sc= -0.36 (180deg=-1.04) USER MOD Single : A 64 THR OG1 : rot -88:sc= 1.26 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 ASN : amide:sc= 0.752 K(o=0.75,f=0) USER MOD Single : A 73 THR OG1 : rot 95:sc= 1.62 USER MOD Single : A 77 LYS NZ :NH3+ -130:sc= 1.21 (180deg=-0.185) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 GLN : amide:sc= 0.66 K(o=0.66,f=0) USER MOD Single : A 85 MET CE :methyl -159:sc= 0 (180deg=-0.35) USER MOD Single : A 89 LYS NZ :NH3+ -165:sc= 0.622 (180deg=-0.0458!) USER MOD Single : A 93 ASN : amide:sc= 0 X(o=0,f=-0.04) USER MOD Single : A 96 ASN : amide:sc=-0.00985 K(o=-0.0099,f=-3!) USER MOD Single : A 98 HIS : no HE2:sc= 0.432 K(o=0.43,f=-2.1!) USER MOD Single : A 100 THR OG1 : rot 51:sc= 0.92 USER MOD Single : A 107 LYS NZ :NH3+ -168:sc= 1.28 (180deg=1.21) USER MOD Single : A 113 THR OG1 : rot 180:sc= 0 USER MOD Single : A 118 THR OG1 : rot 180:sc= 0 USER MOD Single : A 119 TYR OH : rot -110:sc= 0.0301 USER MOD Single : A 123 SER OG : rot 180:sc= 0 USER MOD Single : A 124 LYS NZ :NH3+ 169:sc= 2.26 (180deg=1.93) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -23.392 11.205 13.066 1.00 0.66 N ATOM 2 CA ALA A 1 -24.087 12.128 13.988 1.00 0.48 C ATOM 3 C ALA A 1 -23.593 13.551 13.752 1.00 0.53 C ATOM 4 O ALA A 1 -22.528 13.712 13.166 1.00 1.01 O ATOM 5 CB ALA A 1 -23.886 11.709 15.451 1.00 0.50 C ATOM 0 H1 ALA A 1 -24.063 10.857 12.352 1.00 0.66 H new ATOM 0 H2 ALA A 1 -22.613 11.707 12.594 1.00 0.66 H new ATOM 0 H3 ALA A 1 -23.010 10.401 13.603 1.00 0.66 H new ATOM 0 HA ALA A 1 -25.157 12.086 13.786 1.00 0.48 H new ATOM 0 HB1 ALA A 1 -24.409 12.407 16.105 1.00 0.50 H new ATOM 0 HB2 ALA A 1 -24.284 10.705 15.600 1.00 0.50 H new ATOM 0 HB3 ALA A 1 -22.822 11.717 15.689 1.00 0.50 H new ATOM 13 N PHE A 2 -24.456 14.525 14.016 1.00 0.29 N ATOM 14 CA PHE A 2 -24.242 15.955 13.781 1.00 0.26 C ATOM 15 C PHE A 2 -23.785 16.672 15.068 1.00 0.27 C ATOM 16 O PHE A 2 -23.508 17.867 15.046 1.00 0.36 O ATOM 17 CB PHE A 2 -25.568 16.532 13.274 1.00 0.26 C ATOM 18 CG PHE A 2 -26.141 15.830 12.052 1.00 0.25 C ATOM 19 CD1 PHE A 2 -26.956 14.691 12.192 1.00 0.24 C ATOM 20 CD2 PHE A 2 -25.888 16.344 10.770 1.00 0.27 C ATOM 21 CE1 PHE A 2 -27.486 14.063 11.052 1.00 0.25 C ATOM 22 CE2 PHE A 2 -26.457 15.750 9.633 1.00 0.27 C ATOM 23 CZ PHE A 2 -27.262 14.612 9.778 1.00 0.25 C ATOM 0 H PHE A 2 -25.372 14.333 14.421 1.00 0.29 H new ATOM 0 HA PHE A 2 -23.451 16.104 13.046 1.00 0.26 H new ATOM 0 HB2 PHE A 2 -26.301 16.485 14.080 1.00 0.26 H new ATOM 0 HB3 PHE A 2 -25.423 17.586 13.036 1.00 0.26 H new ATOM 0 HD1 PHE A 2 -27.174 14.300 13.175 1.00 0.24 H new ATOM 0 HD2 PHE A 2 -25.248 17.207 10.658 1.00 0.27 H new ATOM 0 HE1 PHE A 2 -28.066 13.158 11.155 1.00 0.25 H new ATOM 0 HE2 PHE A 2 -26.276 16.167 8.653 1.00 0.27 H new ATOM 0 HZ PHE A 2 -27.711 14.156 8.908 1.00 0.25 H new ATOM 33 N THR A 3 -23.768 15.934 16.186 1.00 0.23 N ATOM 34 CA THR A 3 -23.340 16.276 17.533 1.00 0.22 C ATOM 35 C THR A 3 -22.144 17.206 17.565 1.00 0.23 C ATOM 36 O THR A 3 -21.255 17.065 16.730 1.00 0.27 O ATOM 37 CB THR A 3 -22.932 15.062 18.378 1.00 0.26 C ATOM 38 OG1 THR A 3 -24.034 14.142 18.339 1.00 0.27 O ATOM 39 CG2 THR A 3 -22.596 15.417 19.866 1.00 0.27 C ATOM 0 H THR A 3 -24.095 14.968 16.154 1.00 0.23 H new ATOM 0 HA THR A 3 -24.227 16.757 17.946 1.00 0.22 H new ATOM 0 HB THR A 3 -22.017 14.640 17.962 1.00 0.26 H new ATOM 0 HG1 THR A 3 -23.815 13.346 18.867 1.00 0.27 H new ATOM 0 HG21 THR A 3 -22.316 14.510 20.402 1.00 0.27 H new ATOM 0 HG22 THR A 3 -21.767 16.125 19.893 1.00 0.27 H new ATOM 0 HG23 THR A 3 -23.470 15.863 20.340 1.00 0.27 H new ATOM 47 N GLY A 4 -22.130 18.256 18.400 1.00 0.22 N ATOM 48 CA GLY A 4 -21.013 19.223 18.453 1.00 0.25 C ATOM 49 C GLY A 4 -21.422 20.666 18.760 1.00 0.26 C ATOM 50 O GLY A 4 -22.545 20.899 19.216 1.00 0.46 O ATOM 0 H GLY A 4 -22.885 18.462 19.055 1.00 0.22 H new ATOM 0 HA2 GLY A 4 -20.302 18.893 19.211 1.00 0.25 H new ATOM 0 HA3 GLY A 4 -20.490 19.205 17.497 1.00 0.25 H new ATOM 54 N LYS A 5 -20.580 21.661 18.465 1.00 0.24 N ATOM 55 CA LYS A 5 -20.894 23.103 18.564 1.00 0.23 C ATOM 56 C LYS A 5 -20.510 23.761 17.242 1.00 0.20 C ATOM 57 O LYS A 5 -19.408 23.523 16.735 1.00 0.22 O ATOM 58 CB LYS A 5 -20.178 23.756 19.772 1.00 0.30 C ATOM 59 CG LYS A 5 -21.048 24.738 20.589 1.00 0.36 C ATOM 60 CD LYS A 5 -21.455 26.070 19.922 1.00 0.38 C ATOM 61 CE LYS A 5 -20.344 27.097 19.696 1.00 0.41 C ATOM 62 NZ LYS A 5 -19.843 27.691 20.962 1.00 0.73 N ATOM 0 H LYS A 5 -19.629 21.487 18.140 1.00 0.24 H new ATOM 0 HA LYS A 5 -21.960 23.243 18.741 1.00 0.23 H new ATOM 0 HB2 LYS A 5 -19.824 22.967 20.436 1.00 0.30 H new ATOM 0 HB3 LYS A 5 -19.298 24.287 19.411 1.00 0.30 H new ATOM 0 HG2 LYS A 5 -21.960 24.216 20.877 1.00 0.36 H new ATOM 0 HG3 LYS A 5 -20.512 24.974 21.508 1.00 0.36 H new ATOM 0 HD2 LYS A 5 -21.908 25.842 18.957 1.00 0.38 H new ATOM 0 HD3 LYS A 5 -22.227 26.535 20.535 1.00 0.38 H new ATOM 0 HE2 LYS A 5 -19.516 26.620 19.171 1.00 0.41 H new ATOM 0 HE3 LYS A 5 -20.716 27.892 19.049 1.00 0.41 H new ATOM 0 HZ1 LYS A 5 -19.302 28.554 20.751 1.00 0.73 H new ATOM 0 HZ2 LYS A 5 -20.648 27.929 21.576 1.00 0.73 H new ATOM 0 HZ3 LYS A 5 -19.228 27.007 21.447 1.00 0.73 H new ATOM 76 N PHE A 6 -21.363 24.657 16.759 1.00 0.22 N ATOM 77 CA PHE A 6 -21.209 25.260 15.405 1.00 0.25 C ATOM 78 C PHE A 6 -21.657 26.692 15.474 1.00 0.23 C ATOM 79 O PHE A 6 -22.364 27.121 16.444 1.00 0.27 O ATOM 80 CB PHE A 6 -21.952 24.520 14.237 1.00 0.43 C ATOM 81 CG PHE A 6 -21.782 23.033 14.179 1.00 0.28 C ATOM 82 CD1 PHE A 6 -22.591 22.266 15.048 1.00 0.24 C ATOM 83 CD2 PHE A 6 -20.734 22.435 13.462 1.00 0.30 C ATOM 84 CE1 PHE A 6 -22.285 20.866 15.132 1.00 0.26 C ATOM 85 CE2 PHE A 6 -20.475 21.057 13.553 1.00 0.23 C ATOM 86 CZ PHE A 6 -21.210 20.315 14.384 1.00 0.24 C ATOM 0 H PHE A 6 -22.177 24.994 17.273 1.00 0.22 H new ATOM 0 HA PHE A 6 -20.153 25.167 15.151 1.00 0.25 H new ATOM 0 HB2 PHE A 6 -23.017 24.740 14.315 1.00 0.43 H new ATOM 0 HB3 PHE A 6 -21.608 24.941 13.292 1.00 0.43 H new ATOM 0 HD1 PHE A 6 -23.395 22.709 15.617 1.00 0.24 H new ATOM 0 HD2 PHE A 6 -20.113 23.048 12.826 1.00 0.30 H new ATOM 0 HE1 PHE A 6 -22.877 20.226 15.769 1.00 0.26 H new ATOM 0 HE2 PHE A 6 -19.694 20.605 12.960 1.00 0.23 H new ATOM 0 HZ PHE A 6 -20.981 19.265 14.491 1.00 0.24 H new ATOM 96 N GLU A 7 -21.145 27.459 14.566 1.00 0.25 N ATOM 97 CA GLU A 7 -21.632 28.820 14.417 1.00 0.32 C ATOM 98 C GLU A 7 -22.067 29.057 12.992 1.00 0.32 C ATOM 99 O GLU A 7 -21.156 29.038 12.146 1.00 0.37 O ATOM 100 CB GLU A 7 -20.463 29.747 14.809 1.00 0.44 C ATOM 101 CG GLU A 7 -20.688 31.310 14.700 1.00 1.10 C ATOM 102 CD GLU A 7 -19.401 32.002 15.145 1.00 1.18 C ATOM 103 OE1 GLU A 7 -18.458 31.971 14.293 1.00 1.98 O ATOM 104 OE2 GLU A 7 -19.413 32.578 16.314 1.00 1.10 O ATOM 0 H GLU A 7 -20.403 27.187 13.921 1.00 0.25 H new ATOM 0 HA GLU A 7 -22.498 29.012 15.050 1.00 0.32 H new ATOM 0 HB2 GLU A 7 -20.187 29.520 15.839 1.00 0.44 H new ATOM 0 HB3 GLU A 7 -19.607 29.488 14.185 1.00 0.44 H new ATOM 0 HG2 GLU A 7 -20.937 31.589 13.676 1.00 1.10 H new ATOM 0 HG3 GLU A 7 -21.524 31.620 15.327 1.00 1.10 H new ATOM 111 N MET A 8 -23.349 29.392 12.679 1.00 0.37 N ATOM 112 CA MET A 8 -23.642 29.910 11.381 1.00 0.35 C ATOM 113 C MET A 8 -23.433 31.341 11.205 1.00 0.42 C ATOM 114 O MET A 8 -23.711 32.135 12.068 1.00 0.67 O ATOM 115 CB MET A 8 -25.019 29.407 11.014 1.00 0.39 C ATOM 116 CG MET A 8 -25.185 29.359 9.497 1.00 0.51 C ATOM 117 SD MET A 8 -26.896 29.487 8.899 1.00 0.97 S ATOM 118 CE MET A 8 -27.407 31.024 9.682 1.00 0.35 C ATOM 0 H MET A 8 -24.148 29.305 13.307 1.00 0.37 H new ATOM 0 HA MET A 8 -22.907 29.535 10.668 1.00 0.35 H new ATOM 0 HB2 MET A 8 -25.173 28.413 11.434 1.00 0.39 H new ATOM 0 HB3 MET A 8 -25.778 30.058 11.448 1.00 0.39 H new ATOM 0 HG2 MET A 8 -24.603 30.169 9.058 1.00 0.51 H new ATOM 0 HG3 MET A 8 -24.758 28.425 9.131 1.00 0.51 H new ATOM 0 HE1 MET A 8 -28.324 31.383 9.215 1.00 0.35 H new ATOM 0 HE2 MET A 8 -27.585 30.850 10.743 1.00 0.35 H new ATOM 0 HE3 MET A 8 -26.622 31.771 9.563 1.00 0.35 H new ATOM 128 N GLU A 9 -22.987 31.759 10.029 1.00 0.45 N ATOM 129 CA GLU A 9 -22.743 33.166 9.763 1.00 0.55 C ATOM 130 C GLU A 9 -23.007 33.428 8.282 1.00 0.57 C ATOM 131 O GLU A 9 -22.055 33.709 7.556 1.00 1.27 O ATOM 132 CB GLU A 9 -21.308 33.492 10.231 1.00 1.10 C ATOM 133 CG GLU A 9 -20.933 34.983 10.209 1.00 1.63 C ATOM 134 CD GLU A 9 -19.410 35.216 10.242 1.00 2.20 C ATOM 135 OE1 GLU A 9 -18.630 34.233 10.330 1.00 2.75 O ATOM 136 OE2 GLU A 9 -19.017 36.400 10.122 1.00 2.52 O ATOM 0 H GLU A 9 -22.787 31.140 9.243 1.00 0.45 H new ATOM 0 HA GLU A 9 -23.410 33.831 10.312 1.00 0.55 H new ATOM 0 HB2 GLU A 9 -21.181 33.117 11.247 1.00 1.10 H new ATOM 0 HB3 GLU A 9 -20.605 32.948 9.600 1.00 1.10 H new ATOM 0 HG2 GLU A 9 -21.347 35.444 9.312 1.00 1.63 H new ATOM 0 HG3 GLU A 9 -21.391 35.481 11.064 1.00 1.63 H new ATOM 143 N SER A 10 -24.165 33.011 7.722 1.00 0.59 N ATOM 144 CA SER A 10 -24.391 33.232 6.317 1.00 0.94 C ATOM 145 C SER A 10 -25.829 33.213 6.042 1.00 0.68 C ATOM 146 O SER A 10 -26.568 32.574 6.864 1.00 1.26 O ATOM 147 CB SER A 10 -23.661 32.176 5.441 1.00 1.86 C ATOM 148 OG SER A 10 -22.356 32.577 5.194 1.00 2.52 O ATOM 0 H SER A 10 -24.920 32.538 8.219 1.00 0.59 H new ATOM 0 HA SER A 10 -23.981 34.208 6.058 1.00 0.94 H new ATOM 0 HB2 SER A 10 -23.663 31.210 5.946 1.00 1.86 H new ATOM 0 HB3 SER A 10 -24.193 32.044 4.499 1.00 1.86 H new ATOM 0 HG SER A 10 -21.974 32.966 6.008 1.00 2.52 H new ATOM 154 N GLU A 11 -26.261 33.737 4.905 1.00 0.49 N ATOM 155 CA GLU A 11 -27.666 33.721 4.527 1.00 0.37 C ATOM 156 C GLU A 11 -27.821 33.384 3.044 1.00 0.30 C ATOM 157 O GLU A 11 -26.900 33.552 2.225 1.00 0.40 O ATOM 158 CB GLU A 11 -28.360 35.066 4.817 1.00 0.77 C ATOM 159 CG GLU A 11 -27.871 35.905 6.007 1.00 0.96 C ATOM 160 CD GLU A 11 -26.614 36.738 5.711 1.00 1.37 C ATOM 161 OE1 GLU A 11 -25.899 36.446 4.723 1.00 1.92 O ATOM 162 OE2 GLU A 11 -26.286 37.560 6.595 1.00 1.76 O ATOM 0 H GLU A 11 -25.650 34.184 4.221 1.00 0.49 H new ATOM 0 HA GLU A 11 -28.146 32.952 5.132 1.00 0.37 H new ATOM 0 HB2 GLU A 11 -28.276 35.682 3.921 1.00 0.77 H new ATOM 0 HB3 GLU A 11 -29.421 34.865 4.967 1.00 0.77 H new ATOM 0 HG2 GLU A 11 -28.672 36.574 6.320 1.00 0.96 H new ATOM 0 HG3 GLU A 11 -27.665 35.241 6.846 1.00 0.96 H new ATOM 169 N LYS A 12 -29.025 32.935 2.668 1.00 0.24 N ATOM 170 CA LYS A 12 -29.411 32.799 1.258 1.00 0.23 C ATOM 171 C LYS A 12 -30.932 32.713 1.160 1.00 0.18 C ATOM 172 O LYS A 12 -31.491 31.730 1.621 1.00 0.19 O ATOM 173 CB LYS A 12 -28.726 31.551 0.658 1.00 0.32 C ATOM 174 CG LYS A 12 -29.031 31.287 -0.826 1.00 0.41 C ATOM 175 CD LYS A 12 -28.477 32.381 -1.750 1.00 0.53 C ATOM 176 CE LYS A 12 -28.728 31.994 -3.212 1.00 1.24 C ATOM 177 NZ LYS A 12 -28.217 33.025 -4.150 1.00 1.90 N ATOM 0 H LYS A 12 -29.753 32.658 3.326 1.00 0.24 H new ATOM 0 HA LYS A 12 -29.084 33.668 0.686 1.00 0.23 H new ATOM 0 HB2 LYS A 12 -27.648 31.655 0.778 1.00 0.32 H new ATOM 0 HB3 LYS A 12 -29.028 30.677 1.236 1.00 0.32 H new ATOM 0 HG2 LYS A 12 -28.607 30.325 -1.114 1.00 0.41 H new ATOM 0 HG3 LYS A 12 -30.110 31.214 -0.963 1.00 0.41 H new ATOM 0 HD2 LYS A 12 -28.955 33.335 -1.528 1.00 0.53 H new ATOM 0 HD3 LYS A 12 -27.409 32.512 -1.576 1.00 0.53 H new ATOM 0 HE2 LYS A 12 -28.246 31.039 -3.423 1.00 1.24 H new ATOM 0 HE3 LYS A 12 -29.797 31.854 -3.373 1.00 1.24 H new ATOM 0 HZ1 LYS A 12 -28.405 32.728 -5.129 1.00 1.90 H new ATOM 0 HZ2 LYS A 12 -28.695 33.930 -3.965 1.00 1.90 H new ATOM 0 HZ3 LYS A 12 -27.192 33.141 -4.014 1.00 1.90 H new ATOM 191 N ASN A 13 -31.584 33.733 0.590 1.00 0.18 N ATOM 192 CA ASN A 13 -33.051 33.817 0.478 1.00 0.16 C ATOM 193 C ASN A 13 -33.792 33.825 1.845 1.00 0.17 C ATOM 194 O ASN A 13 -34.979 33.541 1.905 1.00 0.19 O ATOM 195 CB ASN A 13 -33.504 32.699 -0.490 1.00 0.16 C ATOM 196 CG ASN A 13 -34.962 32.783 -0.881 1.00 0.18 C ATOM 197 OD1 ASN A 13 -35.402 33.763 -1.448 1.00 0.24 O ATOM 198 ND2 ASN A 13 -35.610 31.648 -0.969 1.00 0.18 N ATOM 0 H ASN A 13 -31.103 34.537 0.187 1.00 0.18 H new ATOM 0 HA ASN A 13 -33.334 34.786 0.066 1.00 0.16 H new ATOM 0 HB2 ASN A 13 -32.893 32.742 -1.391 1.00 0.16 H new ATOM 0 HB3 ASN A 13 -33.318 31.731 -0.025 1.00 0.16 H new ATOM 0 HD21 ASN A 13 -36.474 31.594 -1.509 1.00 0.18 H new ATOM 0 HD22 ASN A 13 -35.251 30.818 -0.498 1.00 0.18 H new ATOM 205 N TYR A 14 -33.072 34.048 2.952 1.00 0.20 N ATOM 206 CA TYR A 14 -33.480 33.764 4.341 1.00 0.22 C ATOM 207 C TYR A 14 -34.722 34.573 4.776 1.00 0.21 C ATOM 208 O TYR A 14 -35.567 34.072 5.512 1.00 0.24 O ATOM 209 CB TYR A 14 -32.320 34.134 5.258 1.00 0.00 C ATOM 210 CG TYR A 14 -32.040 35.612 5.144 1.00 0.00 C ATOM 211 CD1 TYR A 14 -31.129 36.080 4.191 1.00 0.00 C ATOM 212 CD2 TYR A 14 -32.691 36.516 5.993 1.00 0.00 C ATOM 213 CE1 TYR A 14 -30.868 37.452 4.084 1.00 0.00 C ATOM 214 CE2 TYR A 14 -32.431 37.888 5.887 1.00 0.00 C ATOM 215 CZ TYR A 14 -31.520 38.356 4.933 1.00 0.00 C ATOM 216 OH TYR A 14 -31.267 39.688 4.830 1.00 0.00 O ATOM 0 H TYR A 14 -32.137 34.454 2.904 1.00 0.20 H new ATOM 0 HA TYR A 14 -33.737 32.707 4.405 1.00 0.22 H new ATOM 0 HB2 TYR A 14 -32.562 33.877 6.289 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -31.432 33.563 4.987 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -30.626 35.383 3.537 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -33.394 36.155 6.729 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -30.165 37.813 3.348 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -32.933 38.585 6.541 1.00 0.00 H new ATOM 0 HH TYR A 14 -31.985 40.119 4.321 1.00 0.00 H new ATOM 226 N ASP A 15 -34.833 35.824 4.338 1.00 0.21 N ATOM 227 CA ASP A 15 -35.942 36.725 4.624 1.00 0.25 C ATOM 228 C ASP A 15 -37.269 36.299 4.005 1.00 0.22 C ATOM 229 O ASP A 15 -38.249 36.080 4.723 1.00 0.29 O ATOM 230 CB ASP A 15 -35.581 38.200 4.338 1.00 0.32 C ATOM 231 CG ASP A 15 -34.670 38.477 3.118 1.00 0.88 C ATOM 232 OD1 ASP A 15 -34.434 37.551 2.310 1.00 1.67 O ATOM 233 OD2 ASP A 15 -33.989 39.531 3.181 1.00 0.74 O ATOM 0 H ASP A 15 -34.121 36.255 3.749 1.00 0.21 H new ATOM 0 HA ASP A 15 -36.112 36.647 5.698 1.00 0.25 H new ATOM 0 HB2 ASP A 15 -36.509 38.755 4.201 1.00 0.32 H new ATOM 0 HB3 ASP A 15 -35.094 38.607 5.224 1.00 0.32 H new ATOM 238 N GLU A 16 -37.242 35.980 2.710 1.00 0.18 N ATOM 239 CA GLU A 16 -38.406 35.412 2.019 1.00 0.21 C ATOM 240 C GLU A 16 -38.710 33.974 2.452 1.00 0.20 C ATOM 241 O GLU A 16 -39.873 33.592 2.594 1.00 0.25 O ATOM 242 CB GLU A 16 -38.228 35.502 0.494 1.00 0.26 C ATOM 243 CG GLU A 16 -38.392 36.942 -0.026 1.00 0.30 C ATOM 244 CD GLU A 16 -39.793 37.525 0.232 1.00 0.64 C ATOM 245 OE1 GLU A 16 -40.748 36.757 0.479 1.00 0.77 O ATOM 246 OE2 GLU A 16 -39.877 38.723 0.578 1.00 1.00 O ATOM 0 H GLU A 16 -36.424 36.105 2.114 1.00 0.18 H new ATOM 0 HA GLU A 16 -39.269 36.011 2.309 1.00 0.21 H new ATOM 0 HB2 GLU A 16 -37.240 35.130 0.222 1.00 0.26 H new ATOM 0 HB3 GLU A 16 -38.958 34.856 0.006 1.00 0.26 H new ATOM 0 HG2 GLU A 16 -37.647 37.580 0.450 1.00 0.30 H new ATOM 0 HG3 GLU A 16 -38.190 36.960 -1.097 1.00 0.30 H new ATOM 253 N PHE A 17 -37.677 33.213 2.830 1.00 0.16 N ATOM 254 CA PHE A 17 -37.800 31.802 3.191 1.00 0.15 C ATOM 255 C PHE A 17 -38.379 31.637 4.607 1.00 0.16 C ATOM 256 O PHE A 17 -39.369 30.913 4.738 1.00 0.17 O ATOM 257 CB PHE A 17 -36.431 31.128 3.025 1.00 0.16 C ATOM 258 CG PHE A 17 -36.412 29.616 3.127 1.00 0.16 C ATOM 259 CD1 PHE A 17 -36.263 28.976 4.370 1.00 0.20 C ATOM 260 CD2 PHE A 17 -36.475 28.849 1.947 1.00 0.16 C ATOM 261 CE1 PHE A 17 -36.175 27.573 4.434 1.00 0.22 C ATOM 262 CE2 PHE A 17 -36.378 27.449 2.006 1.00 0.19 C ATOM 263 CZ PHE A 17 -36.230 26.814 3.252 1.00 0.18 C ATOM 0 H PHE A 17 -36.722 33.567 2.894 1.00 0.16 H new ATOM 0 HA PHE A 17 -38.507 31.308 2.525 1.00 0.15 H new ATOM 0 HB2 PHE A 17 -36.026 31.411 2.054 1.00 0.16 H new ATOM 0 HB3 PHE A 17 -35.757 31.531 3.781 1.00 0.16 H new ATOM 0 HD1 PHE A 17 -36.216 29.562 5.276 1.00 0.20 H new ATOM 0 HD2 PHE A 17 -36.598 29.340 0.993 1.00 0.16 H new ATOM 0 HE1 PHE A 17 -36.065 27.081 5.389 1.00 0.22 H new ATOM 0 HE2 PHE A 17 -36.417 26.863 1.099 1.00 0.19 H new ATOM 0 HZ PHE A 17 -36.158 25.738 3.301 1.00 0.18 H new ATOM 273 N MET A 18 -37.935 32.354 5.661 1.00 0.18 N ATOM 274 CA MET A 18 -38.612 32.327 6.951 1.00 0.19 C ATOM 275 C MET A 18 -39.970 33.133 6.962 1.00 0.20 C ATOM 276 O MET A 18 -40.868 32.645 7.688 1.00 0.22 O ATOM 277 CB MET A 18 -37.693 32.714 8.169 1.00 0.20 C ATOM 278 CG MET A 18 -36.635 31.636 8.435 1.00 0.39 C ATOM 279 SD MET A 18 -35.266 31.502 7.266 1.00 1.06 S ATOM 280 CE MET A 18 -34.865 29.807 7.789 1.00 0.36 C ATOM 0 H MET A 18 -37.111 32.954 5.632 1.00 0.18 H new ATOM 0 HA MET A 18 -38.868 31.277 7.093 1.00 0.19 H new ATOM 0 HB2 MET A 18 -37.202 33.666 7.968 1.00 0.20 H new ATOM 0 HB3 MET A 18 -38.306 32.853 9.060 1.00 0.20 H new ATOM 0 HG2 MET A 18 -36.215 31.814 9.425 1.00 0.39 H new ATOM 0 HG3 MET A 18 -37.141 30.671 8.472 1.00 0.39 H new ATOM 0 HE1 MET A 18 -33.963 29.472 7.277 1.00 0.36 H new ATOM 0 HE2 MET A 18 -34.699 29.788 8.866 1.00 0.36 H new ATOM 0 HE3 MET A 18 -35.692 29.143 7.538 1.00 0.36 H new ATOM 290 N LYS A 19 -40.172 34.176 6.151 1.00 0.20 N ATOM 291 CA LYS A 19 -41.500 34.746 5.910 1.00 0.23 C ATOM 292 C LYS A 19 -42.446 33.657 5.356 1.00 0.23 C ATOM 293 O LYS A 19 -43.646 33.600 5.824 1.00 0.29 O ATOM 294 CB LYS A 19 -41.501 35.873 4.882 1.00 0.25 C ATOM 295 CG LYS A 19 -41.201 37.167 5.569 1.00 0.32 C ATOM 296 CD LYS A 19 -40.677 38.284 4.605 1.00 0.87 C ATOM 297 CE LYS A 19 -41.779 38.866 3.705 1.00 1.40 C ATOM 298 NZ LYS A 19 -41.929 38.336 2.311 1.00 1.82 N ATOM 0 H LYS A 19 -39.422 34.647 5.645 1.00 0.20 H new ATOM 0 HA LYS A 19 -41.826 35.140 6.873 1.00 0.23 H new ATOM 0 HB2 LYS A 19 -40.757 35.677 4.109 1.00 0.25 H new ATOM 0 HB3 LYS A 19 -42.470 35.927 4.386 1.00 0.25 H new ATOM 0 HG2 LYS A 19 -42.104 37.522 6.066 1.00 0.32 H new ATOM 0 HG3 LYS A 19 -40.457 36.992 6.346 1.00 0.32 H new ATOM 0 HD2 LYS A 19 -40.235 39.087 5.195 1.00 0.87 H new ATOM 0 HD3 LYS A 19 -39.884 37.874 3.980 1.00 0.87 H new ATOM 0 HE2 LYS A 19 -42.731 38.724 4.216 1.00 1.40 H new ATOM 0 HE3 LYS A 19 -41.613 39.941 3.633 1.00 1.40 H new ATOM 0 HZ1 LYS A 19 -42.911 38.467 1.993 1.00 1.82 H new ATOM 0 HZ2 LYS A 19 -41.287 38.849 1.674 1.00 1.82 H new ATOM 0 HZ3 LYS A 19 -41.693 37.323 2.297 1.00 1.82 H new ATOM 312 N LEU A 20 -42.074 32.777 4.417 1.00 0.20 N ATOM 313 CA LEU A 20 -42.986 31.673 3.950 1.00 0.20 C ATOM 314 C LEU A 20 -43.232 30.547 5.028 1.00 0.21 C ATOM 315 O LEU A 20 -44.269 29.886 5.132 1.00 0.25 O ATOM 316 CB LEU A 20 -42.430 31.008 2.643 1.00 0.19 C ATOM 317 CG LEU A 20 -42.923 31.638 1.382 1.00 0.22 C ATOM 318 CD1 LEU A 20 -42.098 31.027 0.249 1.00 0.21 C ATOM 319 CD2 LEU A 20 -44.379 31.412 1.099 1.00 0.27 C ATOM 0 H LEU A 20 -41.163 32.790 3.958 1.00 0.20 H new ATOM 0 HA LEU A 20 -43.945 32.155 3.760 1.00 0.20 H new ATOM 0 HB2 LEU A 20 -41.341 31.055 2.659 1.00 0.19 H new ATOM 0 HB3 LEU A 20 -42.703 29.953 2.640 1.00 0.19 H new ATOM 0 HG LEU A 20 -42.811 32.718 1.477 1.00 0.22 H new ATOM 0 HD11 LEU A 20 -42.416 31.452 -0.703 1.00 0.21 H new ATOM 0 HD12 LEU A 20 -41.042 31.245 0.409 1.00 0.21 H new ATOM 0 HD13 LEU A 20 -42.247 29.947 0.232 1.00 0.21 H new ATOM 0 HD21 LEU A 20 -44.649 31.905 0.165 1.00 0.27 H new ATOM 0 HD22 LEU A 20 -44.571 30.342 1.014 1.00 0.27 H new ATOM 0 HD23 LEU A 20 -44.976 31.824 1.912 1.00 0.27 H new ATOM 331 N LEU A 21 -42.217 30.257 5.847 1.00 0.19 N ATOM 332 CA LEU A 21 -42.230 29.044 6.686 1.00 0.20 C ATOM 333 C LEU A 21 -42.920 29.216 8.070 1.00 0.23 C ATOM 334 O LEU A 21 -43.512 28.256 8.579 1.00 0.25 O ATOM 335 CB LEU A 21 -40.806 28.456 6.650 1.00 0.22 C ATOM 336 CG LEU A 21 -40.655 26.932 6.848 1.00 0.40 C ATOM 337 CD1 LEU A 21 -41.647 26.068 6.066 1.00 1.20 C ATOM 338 CD2 LEU A 21 -39.255 26.514 6.391 1.00 0.80 C ATOM 0 H LEU A 21 -41.383 30.835 5.950 1.00 0.19 H new ATOM 0 HA LEU A 21 -42.901 28.288 6.278 1.00 0.20 H new ATOM 0 HB2 LEU A 21 -40.360 28.716 5.690 1.00 0.22 H new ATOM 0 HB3 LEU A 21 -40.217 28.954 7.420 1.00 0.22 H new ATOM 0 HG LEU A 21 -40.845 26.763 7.908 1.00 0.40 H new ATOM 0 HD11 LEU A 21 -41.456 25.015 6.275 1.00 1.20 H new ATOM 0 HD12 LEU A 21 -42.664 26.319 6.367 1.00 1.20 H new ATOM 0 HD13 LEU A 21 -41.528 26.254 4.998 1.00 1.20 H new ATOM 0 HD21 LEU A 21 -39.134 25.439 6.525 1.00 0.80 H new ATOM 0 HD22 LEU A 21 -39.126 26.765 5.338 1.00 0.80 H new ATOM 0 HD23 LEU A 21 -38.507 27.040 6.984 1.00 0.80 H new ATOM 350 N GLY A 22 -43.068 30.467 8.546 1.00 0.30 N ATOM 351 CA GLY A 22 -44.117 30.846 9.513 1.00 0.36 C ATOM 352 C GLY A 22 -43.707 32.006 10.419 1.00 0.36 C ATOM 353 O GLY A 22 -44.295 32.141 11.531 1.00 0.40 O ATOM 0 H GLY A 22 -42.465 31.243 8.272 1.00 0.30 H new ATOM 0 HA2 GLY A 22 -45.022 31.119 8.970 1.00 0.36 H new ATOM 0 HA3 GLY A 22 -44.364 29.981 10.129 1.00 0.36 H new ATOM 357 N ILE A 23 -42.759 32.878 9.927 1.00 0.34 N ATOM 358 CA ILE A 23 -42.134 33.878 10.799 1.00 0.34 C ATOM 359 C ILE A 23 -42.269 35.312 10.221 1.00 0.33 C ATOM 360 O ILE A 23 -41.880 35.537 9.072 1.00 0.31 O ATOM 361 CB ILE A 23 -40.653 33.618 11.098 1.00 0.30 C ATOM 362 CG1 ILE A 23 -40.518 32.204 11.661 1.00 0.30 C ATOM 363 CG2 ILE A 23 -40.196 34.558 12.249 1.00 0.35 C ATOM 364 CD1 ILE A 23 -39.093 31.716 11.952 1.00 0.38 C ATOM 0 H ILE A 23 -42.436 32.891 8.960 1.00 0.34 H new ATOM 0 HA ILE A 23 -42.684 33.790 11.736 1.00 0.34 H new ATOM 0 HB ILE A 23 -40.072 33.769 10.188 1.00 0.30 H new ATOM 0 HG12 ILE A 23 -41.093 32.149 12.585 1.00 0.30 H new ATOM 0 HG13 ILE A 23 -40.979 31.511 10.957 1.00 0.30 H new ATOM 0 HG21 ILE A 23 -39.143 34.380 12.468 1.00 0.35 H new ATOM 0 HG22 ILE A 23 -40.333 35.596 11.947 1.00 0.35 H new ATOM 0 HG23 ILE A 23 -40.791 34.358 13.140 1.00 0.35 H new ATOM 0 HD11 ILE A 23 -39.130 30.701 12.347 1.00 0.38 H new ATOM 0 HD12 ILE A 23 -38.510 31.726 11.031 1.00 0.38 H new ATOM 0 HD13 ILE A 23 -38.626 32.374 12.685 1.00 0.38 H new ATOM 376 N SER A 24 -42.861 36.314 10.910 1.00 0.36 N ATOM 377 CA SER A 24 -42.861 37.703 10.413 1.00 0.37 C ATOM 378 C SER A 24 -41.493 38.464 10.525 1.00 0.35 C ATOM 379 O SER A 24 -40.917 38.874 9.477 1.00 0.33 O ATOM 380 CB SER A 24 -43.861 38.492 11.316 1.00 0.43 C ATOM 381 OG SER A 24 -45.129 37.906 11.513 1.00 0.71 O ATOM 0 H SER A 24 -43.339 36.186 11.802 1.00 0.36 H new ATOM 0 HA SER A 24 -43.109 37.651 9.353 1.00 0.37 H new ATOM 0 HB2 SER A 24 -43.397 38.638 12.292 1.00 0.43 H new ATOM 0 HB3 SER A 24 -44.006 39.481 10.881 1.00 0.43 H new ATOM 0 HG SER A 24 -45.669 38.482 12.093 1.00 0.71 H new ATOM 387 N SER A 25 -40.988 38.718 11.727 1.00 0.37 N ATOM 388 CA SER A 25 -39.829 39.603 11.856 1.00 0.37 C ATOM 389 C SER A 25 -38.924 39.167 12.981 1.00 0.36 C ATOM 390 O SER A 25 -37.715 39.230 12.803 1.00 0.37 O ATOM 391 CB SER A 25 -40.253 41.066 12.036 1.00 0.42 C ATOM 392 OG SER A 25 -41.111 41.460 10.981 1.00 1.04 O ATOM 0 H SER A 25 -41.347 38.339 12.603 1.00 0.37 H new ATOM 0 HA SER A 25 -39.267 39.531 10.925 1.00 0.37 H new ATOM 0 HB2 SER A 25 -40.760 41.190 12.993 1.00 0.42 H new ATOM 0 HB3 SER A 25 -39.372 41.708 12.057 1.00 0.42 H new ATOM 0 HG SER A 25 -41.376 42.395 11.107 1.00 1.04 H new ATOM 398 N ASP A 26 -39.463 38.448 13.964 1.00 0.40 N ATOM 399 CA ASP A 26 -38.730 38.101 15.167 1.00 0.44 C ATOM 400 C ASP A 26 -37.472 37.319 15.000 1.00 0.40 C ATOM 401 O ASP A 26 -36.376 37.772 15.232 1.00 0.43 O ATOM 402 CB ASP A 26 -39.740 37.526 16.223 1.00 0.49 C ATOM 403 CG ASP A 26 -39.326 37.736 17.639 1.00 0.85 C ATOM 404 OD1 ASP A 26 -38.154 37.412 17.993 1.00 1.29 O ATOM 405 OD2 ASP A 26 -40.089 38.295 18.447 1.00 0.94 O ATOM 0 H ASP A 26 -40.419 38.093 13.943 1.00 0.40 H new ATOM 0 HA ASP A 26 -38.298 39.026 15.549 1.00 0.44 H new ATOM 0 HB2 ASP A 26 -40.714 37.990 16.068 1.00 0.49 H new ATOM 0 HB3 ASP A 26 -39.864 36.458 16.047 1.00 0.49 H new ATOM 410 N VAL A 27 -37.515 36.118 14.408 1.00 0.36 N ATOM 411 CA VAL A 27 -36.254 35.397 14.092 1.00 0.35 C ATOM 412 C VAL A 27 -35.438 36.117 13.025 1.00 0.31 C ATOM 413 O VAL A 27 -34.232 36.288 13.165 1.00 0.31 O ATOM 414 CB VAL A 27 -36.484 33.951 13.645 1.00 0.37 C ATOM 415 CG1 VAL A 27 -35.174 33.203 13.367 1.00 0.46 C ATOM 416 CG2 VAL A 27 -37.200 33.197 14.757 1.00 0.58 C ATOM 0 H VAL A 27 -38.371 35.631 14.142 1.00 0.36 H new ATOM 0 HA VAL A 27 -35.697 35.382 15.029 1.00 0.35 H new ATOM 0 HB VAL A 27 -37.068 33.993 12.725 1.00 0.37 H new ATOM 0 HG11 VAL A 27 -35.397 32.183 13.054 1.00 0.46 H new ATOM 0 HG12 VAL A 27 -34.624 33.714 12.576 1.00 0.46 H new ATOM 0 HG13 VAL A 27 -34.569 33.180 14.273 1.00 0.46 H new ATOM 0 HG21 VAL A 27 -37.368 32.166 14.447 1.00 0.58 H new ATOM 0 HG22 VAL A 27 -36.587 33.210 15.658 1.00 0.58 H new ATOM 0 HG23 VAL A 27 -38.158 33.675 14.962 1.00 0.58 H new ATOM 426 N ILE A 28 -36.099 36.579 11.975 1.00 0.28 N ATOM 427 CA ILE A 28 -35.574 37.135 10.740 1.00 0.26 C ATOM 428 C ILE A 28 -34.671 38.408 10.902 1.00 0.27 C ATOM 429 O ILE A 28 -33.609 38.477 10.350 1.00 0.27 O ATOM 430 CB ILE A 28 -36.637 37.448 9.717 1.00 0.25 C ATOM 431 CG1 ILE A 28 -37.465 36.202 9.613 1.00 0.26 C ATOM 432 CG2 ILE A 28 -36.049 37.997 8.342 1.00 0.24 C ATOM 433 CD1 ILE A 28 -38.411 36.095 8.475 1.00 0.26 C ATOM 0 H ILE A 28 -37.119 36.573 11.967 1.00 0.28 H new ATOM 0 HA ILE A 28 -34.944 36.319 10.387 1.00 0.26 H new ATOM 0 HB ILE A 28 -37.266 38.284 10.023 1.00 0.25 H new ATOM 0 HG12 ILE A 28 -36.786 35.351 9.565 1.00 0.26 H new ATOM 0 HG13 ILE A 28 -38.037 36.102 10.535 1.00 0.26 H new ATOM 0 HG21 ILE A 28 -36.868 38.202 7.652 1.00 0.24 H new ATOM 0 HG22 ILE A 28 -35.491 38.915 8.526 1.00 0.24 H new ATOM 0 HG23 ILE A 28 -35.385 37.250 7.906 1.00 0.24 H new ATOM 0 HD11 ILE A 28 -38.940 35.143 8.530 1.00 0.26 H new ATOM 0 HD12 ILE A 28 -39.130 36.913 8.522 1.00 0.26 H new ATOM 0 HD13 ILE A 28 -37.859 36.150 7.537 1.00 0.26 H new ATOM 445 N GLU A 29 -35.108 39.325 11.823 1.00 0.30 N ATOM 446 CA GLU A 29 -34.347 40.578 12.130 1.00 0.32 C ATOM 447 C GLU A 29 -33.119 40.206 12.964 1.00 0.32 C ATOM 448 O GLU A 29 -32.036 40.746 12.819 1.00 0.36 O ATOM 449 CB GLU A 29 -35.289 41.626 12.774 1.00 0.38 C ATOM 450 CG GLU A 29 -35.728 41.363 14.181 1.00 0.79 C ATOM 451 CD GLU A 29 -36.821 42.233 14.694 1.00 1.14 C ATOM 452 OE1 GLU A 29 -37.357 43.172 14.001 1.00 1.48 O ATOM 453 OE2 GLU A 29 -37.206 41.995 15.860 1.00 1.29 O ATOM 0 H GLU A 29 -35.971 39.221 12.357 1.00 0.30 H new ATOM 0 HA GLU A 29 -33.972 41.060 11.227 1.00 0.32 H new ATOM 0 HB2 GLU A 29 -34.788 42.594 12.749 1.00 0.38 H new ATOM 0 HB3 GLU A 29 -36.179 41.712 12.151 1.00 0.38 H new ATOM 0 HG2 GLU A 29 -36.053 40.325 14.252 1.00 0.79 H new ATOM 0 HG3 GLU A 29 -34.864 41.472 14.837 1.00 0.79 H new ATOM 460 N LYS A 30 -33.254 39.259 13.902 1.00 0.33 N ATOM 461 CA LYS A 30 -32.138 38.898 14.789 1.00 0.37 C ATOM 462 C LYS A 30 -31.130 37.949 14.110 1.00 0.33 C ATOM 463 O LYS A 30 -29.933 38.099 14.336 1.00 0.37 O ATOM 464 CB LYS A 30 -32.681 38.466 16.159 1.00 0.45 C ATOM 465 CG LYS A 30 -33.210 37.032 16.270 1.00 0.52 C ATOM 466 CD LYS A 30 -33.713 36.705 17.688 1.00 0.76 C ATOM 467 CE LYS A 30 -35.211 36.938 17.946 1.00 0.88 C ATOM 468 NZ LYS A 30 -35.681 38.337 17.781 1.00 1.19 N ATOM 0 H LYS A 30 -34.113 38.734 14.066 1.00 0.33 H new ATOM 0 HA LYS A 30 -31.521 39.773 14.993 1.00 0.37 H new ATOM 0 HB2 LYS A 30 -31.887 38.593 16.895 1.00 0.45 H new ATOM 0 HB3 LYS A 30 -33.485 39.148 16.436 1.00 0.45 H new ATOM 0 HG2 LYS A 30 -34.022 36.890 15.557 1.00 0.52 H new ATOM 0 HG3 LYS A 30 -32.420 36.333 15.997 1.00 0.52 H new ATOM 0 HD2 LYS A 30 -33.487 35.660 17.899 1.00 0.76 H new ATOM 0 HD3 LYS A 30 -33.145 37.304 18.400 1.00 0.76 H new ATOM 0 HE2 LYS A 30 -35.781 36.300 17.271 1.00 0.88 H new ATOM 0 HE3 LYS A 30 -35.441 36.614 18.961 1.00 0.88 H new ATOM 0 HZ1 LYS A 30 -36.654 38.421 18.138 1.00 1.19 H new ATOM 0 HZ2 LYS A 30 -35.060 38.977 18.316 1.00 1.19 H new ATOM 0 HZ3 LYS A 30 -35.658 38.594 16.774 1.00 1.19 H new ATOM 482 N ALA A 31 -31.562 37.247 13.060 1.00 0.30 N ATOM 483 CA ALA A 31 -30.844 36.433 12.091 1.00 0.31 C ATOM 484 C ALA A 31 -30.039 37.306 11.171 1.00 0.32 C ATOM 485 O ALA A 31 -28.820 37.128 11.093 1.00 0.40 O ATOM 486 CB ALA A 31 -31.899 35.755 11.219 1.00 0.34 C ATOM 0 H ALA A 31 -32.559 37.240 12.847 1.00 0.30 H new ATOM 0 HA ALA A 31 -30.192 35.732 12.612 1.00 0.31 H new ATOM 0 HB1 ALA A 31 -31.408 35.130 10.473 1.00 0.34 H new ATOM 0 HB2 ALA A 31 -32.544 35.136 11.843 1.00 0.34 H new ATOM 0 HB3 ALA A 31 -32.500 36.514 10.718 1.00 0.34 H new ATOM 492 N ARG A 32 -30.665 38.338 10.585 1.00 0.28 N ATOM 493 CA ARG A 32 -30.028 39.199 9.674 1.00 0.31 C ATOM 494 C ARG A 32 -28.869 40.000 10.337 1.00 0.35 C ATOM 495 O ARG A 32 -27.790 40.214 9.762 1.00 0.43 O ATOM 496 CB ARG A 32 -31.018 40.143 8.915 1.00 0.35 C ATOM 497 CG ARG A 32 -31.489 41.435 9.594 1.00 0.34 C ATOM 498 CD ARG A 32 -32.411 42.216 8.658 1.00 0.45 C ATOM 499 NE ARG A 32 -33.335 43.074 9.395 1.00 1.13 N ATOM 500 CZ ARG A 32 -33.106 44.242 10.052 1.00 1.47 C ATOM 501 NH1 ARG A 32 -31.968 44.866 10.011 1.00 1.06 N ATOM 502 NH2 ARG A 32 -34.168 44.833 10.691 1.00 2.40 N ATOM 0 H ARG A 32 -31.643 38.571 10.757 1.00 0.28 H new ATOM 0 HA ARG A 32 -29.589 38.549 8.917 1.00 0.31 H new ATOM 0 HB2 ARG A 32 -30.548 40.421 7.971 1.00 0.35 H new ATOM 0 HB3 ARG A 32 -31.905 39.559 8.670 1.00 0.35 H new ATOM 0 HG2 ARG A 32 -32.014 41.198 10.519 1.00 0.34 H new ATOM 0 HG3 ARG A 32 -30.629 42.048 9.864 1.00 0.34 H new ATOM 0 HD2 ARG A 32 -31.811 42.825 7.982 1.00 0.45 H new ATOM 0 HD3 ARG A 32 -32.977 41.518 8.041 1.00 0.45 H new ATOM 0 HE ARG A 32 -34.301 42.747 9.421 1.00 1.13 H new ATOM 0 HH11 ARG A 32 -31.195 44.482 9.468 1.00 1.06 H new ATOM 0 HH12 ARG A 32 -31.847 45.740 10.522 1.00 1.06 H new ATOM 0 HH21 ARG A 32 -35.089 44.395 10.662 1.00 2.40 H new ATOM 0 HH22 ARG A 32 -34.036 45.710 11.195 1.00 2.40 H new ATOM 516 N ASN A 33 -29.081 40.352 11.609 1.00 0.35 N ATOM 517 CA ASN A 33 -28.075 40.940 12.491 1.00 0.42 C ATOM 518 C ASN A 33 -26.991 39.935 12.922 1.00 0.38 C ATOM 519 O ASN A 33 -25.902 39.956 12.355 1.00 0.47 O ATOM 520 CB ASN A 33 -28.760 41.635 13.682 1.00 0.53 C ATOM 521 CG ASN A 33 -29.432 42.943 13.299 1.00 0.68 C ATOM 522 OD1 ASN A 33 -28.801 43.920 12.949 1.00 1.09 O ATOM 523 ND2 ASN A 33 -30.713 43.073 13.531 1.00 0.61 N ATOM 0 H ASN A 33 -29.986 40.231 12.064 1.00 0.35 H new ATOM 0 HA ASN A 33 -27.535 41.699 11.925 1.00 0.42 H new ATOM 0 HB2 ASN A 33 -29.504 40.962 14.110 1.00 0.53 H new ATOM 0 HB3 ASN A 33 -28.020 41.827 14.459 1.00 0.53 H new ATOM 0 HD21 ASN A 33 -31.162 43.982 13.417 1.00 0.61 H new ATOM 0 HD22 ASN A 33 -31.262 42.266 13.826 1.00 0.61 H new ATOM 530 N PHE A 34 -27.223 39.116 13.956 1.00 0.35 N ATOM 531 CA PHE A 34 -26.139 38.392 14.641 1.00 0.42 C ATOM 532 C PHE A 34 -25.876 36.931 14.254 1.00 0.46 C ATOM 533 O PHE A 34 -24.847 36.390 14.650 1.00 0.78 O ATOM 534 CB PHE A 34 -26.208 38.582 16.163 1.00 0.52 C ATOM 535 CG PHE A 34 -27.556 38.293 16.800 1.00 0.94 C ATOM 536 CD1 PHE A 34 -28.075 36.985 16.757 1.00 0.75 C ATOM 537 CD2 PHE A 34 -28.260 39.296 17.491 1.00 1.98 C ATOM 538 CE1 PHE A 34 -29.283 36.674 17.396 1.00 1.54 C ATOM 539 CE2 PHE A 34 -29.462 38.983 18.148 1.00 2.84 C ATOM 540 CZ PHE A 34 -29.961 37.668 18.116 1.00 2.62 C ATOM 0 H PHE A 34 -28.151 38.937 14.338 1.00 0.35 H new ATOM 0 HA PHE A 34 -25.251 38.883 14.242 1.00 0.42 H new ATOM 0 HB2 PHE A 34 -25.462 37.936 16.626 1.00 0.52 H new ATOM 0 HB3 PHE A 34 -25.929 39.610 16.396 1.00 0.52 H new ATOM 0 HD1 PHE A 34 -27.537 36.214 16.226 1.00 0.75 H new ATOM 0 HD2 PHE A 34 -27.877 40.305 17.516 1.00 1.98 H new ATOM 0 HE1 PHE A 34 -29.689 35.675 17.334 1.00 1.54 H new ATOM 0 HE2 PHE A 34 -30.003 39.753 18.678 1.00 2.84 H new ATOM 0 HZ PHE A 34 -30.869 37.423 18.647 1.00 2.62 H new ATOM 550 N LYS A 35 -26.827 36.305 13.544 1.00 0.33 N ATOM 551 CA LYS A 35 -26.882 34.864 13.200 1.00 0.36 C ATOM 552 C LYS A 35 -26.892 33.892 14.395 1.00 0.37 C ATOM 553 O LYS A 35 -26.392 34.166 15.480 1.00 0.53 O ATOM 554 CB LYS A 35 -25.811 34.464 12.169 1.00 0.58 C ATOM 555 CG LYS A 35 -25.880 35.229 10.838 1.00 1.15 C ATOM 556 CD LYS A 35 -25.016 36.504 10.829 1.00 1.36 C ATOM 557 CE LYS A 35 -25.105 37.222 9.482 1.00 1.90 C ATOM 558 NZ LYS A 35 -26.449 37.791 9.247 1.00 2.56 N ATOM 0 H LYS A 35 -27.627 36.815 13.170 1.00 0.33 H new ATOM 0 HA LYS A 35 -27.865 34.754 12.742 1.00 0.36 H new ATOM 0 HB2 LYS A 35 -24.826 34.619 12.610 1.00 0.58 H new ATOM 0 HB3 LYS A 35 -25.904 33.398 11.964 1.00 0.58 H new ATOM 0 HG2 LYS A 35 -25.556 34.572 10.031 1.00 1.15 H new ATOM 0 HG3 LYS A 35 -26.916 35.498 10.634 1.00 1.15 H new ATOM 0 HD2 LYS A 35 -25.344 37.174 11.624 1.00 1.36 H new ATOM 0 HD3 LYS A 35 -23.978 36.245 11.038 1.00 1.36 H new ATOM 0 HE2 LYS A 35 -24.362 38.019 9.446 1.00 1.90 H new ATOM 0 HE3 LYS A 35 -24.862 36.523 8.682 1.00 1.90 H new ATOM 0 HZ1 LYS A 35 -26.731 37.620 8.260 1.00 2.56 H new ATOM 0 HZ2 LYS A 35 -27.134 37.339 9.886 1.00 2.56 H new ATOM 0 HZ3 LYS A 35 -26.429 38.815 9.429 1.00 2.56 H new ATOM 572 N ILE A 36 -27.633 32.804 14.220 1.00 0.35 N ATOM 573 CA ILE A 36 -27.952 31.822 15.262 1.00 0.35 C ATOM 574 C ILE A 36 -26.797 30.825 15.412 1.00 0.34 C ATOM 575 O ILE A 36 -26.377 30.244 14.409 1.00 0.43 O ATOM 576 CB ILE A 36 -29.277 31.132 14.870 1.00 0.37 C ATOM 577 CG1 ILE A 36 -30.405 32.174 14.722 1.00 0.44 C ATOM 578 CG2 ILE A 36 -29.666 30.037 15.875 1.00 0.36 C ATOM 579 CD1 ILE A 36 -31.750 31.601 14.273 1.00 0.41 C ATOM 0 H ILE A 36 -28.046 32.568 13.317 1.00 0.35 H new ATOM 0 HA ILE A 36 -28.079 32.301 16.233 1.00 0.35 H new ATOM 0 HB ILE A 36 -29.127 30.646 13.906 1.00 0.37 H new ATOM 0 HG12 ILE A 36 -30.542 32.679 15.678 1.00 0.44 H new ATOM 0 HG13 ILE A 36 -30.090 32.931 14.004 1.00 0.44 H new ATOM 0 HG21 ILE A 36 -30.603 29.575 15.565 1.00 0.36 H new ATOM 0 HG22 ILE A 36 -28.882 29.280 15.910 1.00 0.36 H new ATOM 0 HG23 ILE A 36 -29.789 30.478 16.864 1.00 0.36 H new ATOM 0 HD11 ILE A 36 -32.481 32.406 14.197 1.00 0.41 H new ATOM 0 HD12 ILE A 36 -31.635 31.122 13.301 1.00 0.41 H new ATOM 0 HD13 ILE A 36 -32.094 30.866 15.001 1.00 0.41 H new ATOM 591 N VAL A 37 -26.360 30.498 16.647 1.00 0.30 N ATOM 592 CA VAL A 37 -25.331 29.446 16.817 1.00 0.27 C ATOM 593 C VAL A 37 -26.024 28.170 17.282 1.00 0.25 C ATOM 594 O VAL A 37 -27.184 28.144 17.626 1.00 0.31 O ATOM 595 CB VAL A 37 -24.123 29.754 17.783 1.00 0.30 C ATOM 596 CG1 VAL A 37 -23.648 31.192 17.432 1.00 0.83 C ATOM 597 CG2 VAL A 37 -24.422 29.633 19.273 1.00 0.85 C ATOM 0 H VAL A 37 -26.688 30.928 17.512 1.00 0.30 H new ATOM 0 HA VAL A 37 -24.863 29.362 15.836 1.00 0.27 H new ATOM 0 HB VAL A 37 -23.357 28.995 17.621 1.00 0.30 H new ATOM 0 HG11 VAL A 37 -22.808 31.464 18.071 1.00 0.83 H new ATOM 0 HG12 VAL A 37 -23.336 31.227 16.388 1.00 0.83 H new ATOM 0 HG13 VAL A 37 -24.467 31.894 17.590 1.00 0.83 H new ATOM 0 HG21 VAL A 37 -23.524 29.866 19.844 1.00 0.85 H new ATOM 0 HG22 VAL A 37 -25.215 30.331 19.543 1.00 0.85 H new ATOM 0 HG23 VAL A 37 -24.742 28.616 19.498 1.00 0.85 H new ATOM 607 N THR A 38 -25.280 27.064 17.187 1.00 0.25 N ATOM 608 CA THR A 38 -25.768 25.689 17.356 1.00 0.25 C ATOM 609 C THR A 38 -25.166 24.886 18.503 1.00 0.23 C ATOM 610 O THR A 38 -23.945 24.774 18.592 1.00 0.24 O ATOM 611 CB THR A 38 -25.689 24.860 16.068 1.00 0.29 C ATOM 612 OG1 THR A 38 -25.780 25.645 14.900 1.00 0.39 O ATOM 613 CG2 THR A 38 -26.748 23.767 16.026 1.00 0.28 C ATOM 0 H THR A 38 -24.281 27.102 16.982 1.00 0.25 H new ATOM 0 HA THR A 38 -26.809 25.864 17.626 1.00 0.25 H new ATOM 0 HB THR A 38 -24.702 24.399 16.088 1.00 0.29 H new ATOM 0 HG1 THR A 38 -25.722 25.066 14.111 1.00 0.39 H new ATOM 0 HG21 THR A 38 -26.655 23.205 15.097 1.00 0.28 H new ATOM 0 HG22 THR A 38 -26.610 23.094 16.872 1.00 0.28 H new ATOM 0 HG23 THR A 38 -27.739 24.218 16.079 1.00 0.28 H new ATOM 621 N GLU A 39 -25.991 24.121 19.212 1.00 0.22 N ATOM 622 CA GLU A 39 -25.582 23.049 20.108 1.00 0.20 C ATOM 623 C GLU A 39 -26.288 21.753 19.658 1.00 0.18 C ATOM 624 O GLU A 39 -27.438 21.800 19.223 1.00 0.20 O ATOM 625 CB GLU A 39 -25.955 23.558 21.505 1.00 0.24 C ATOM 626 CG GLU A 39 -26.055 22.576 22.677 1.00 0.56 C ATOM 627 CD GLU A 39 -26.777 23.295 23.829 1.00 0.99 C ATOM 628 OE1 GLU A 39 -26.093 24.157 24.424 1.00 1.41 O ATOM 629 OE2 GLU A 39 -27.959 23.028 24.138 1.00 1.41 O ATOM 0 H GLU A 39 -27.004 24.238 19.175 1.00 0.22 H new ATOM 0 HA GLU A 39 -24.520 22.802 20.103 1.00 0.20 H new ATOM 0 HB2 GLU A 39 -25.222 24.317 21.780 1.00 0.24 H new ATOM 0 HB3 GLU A 39 -26.918 24.061 21.420 1.00 0.24 H new ATOM 0 HG2 GLU A 39 -26.603 21.682 22.381 1.00 0.56 H new ATOM 0 HG3 GLU A 39 -25.063 22.252 22.990 1.00 0.56 H new ATOM 636 N VAL A 40 -25.572 20.629 19.558 1.00 0.17 N ATOM 637 CA VAL A 40 -26.086 19.412 18.894 1.00 0.18 C ATOM 638 C VAL A 40 -25.808 18.145 19.675 1.00 0.19 C ATOM 639 O VAL A 40 -24.670 17.950 20.104 1.00 0.20 O ATOM 640 CB VAL A 40 -25.589 19.258 17.444 1.00 0.17 C ATOM 641 CG1 VAL A 40 -26.455 18.258 16.677 1.00 0.19 C ATOM 642 CG2 VAL A 40 -25.594 20.559 16.651 1.00 0.19 C ATOM 0 H VAL A 40 -24.627 20.530 19.929 1.00 0.17 H new ATOM 0 HA VAL A 40 -27.166 19.556 18.864 1.00 0.18 H new ATOM 0 HB VAL A 40 -24.560 18.912 17.537 1.00 0.17 H new ATOM 0 HG11 VAL A 40 -26.086 18.165 15.656 1.00 0.19 H new ATOM 0 HG12 VAL A 40 -26.411 17.286 17.169 1.00 0.19 H new ATOM 0 HG13 VAL A 40 -27.487 18.609 16.659 1.00 0.19 H new ATOM 0 HG21 VAL A 40 -25.231 20.371 15.640 1.00 0.19 H new ATOM 0 HG22 VAL A 40 -26.609 20.953 16.605 1.00 0.19 H new ATOM 0 HG23 VAL A 40 -24.945 21.286 17.140 1.00 0.19 H new ATOM 652 N GLN A 41 -26.782 17.232 19.725 1.00 0.22 N ATOM 653 CA GLN A 41 -26.645 15.887 20.292 1.00 0.27 C ATOM 654 C GLN A 41 -27.500 14.881 19.508 1.00 0.27 C ATOM 655 O GLN A 41 -28.683 15.112 19.284 1.00 0.31 O ATOM 656 CB GLN A 41 -27.042 15.870 21.783 1.00 0.41 C ATOM 657 CG GLN A 41 -26.232 16.838 22.666 1.00 0.37 C ATOM 658 CD GLN A 41 -26.668 16.852 24.127 1.00 1.30 C ATOM 659 OE1 GLN A 41 -27.574 16.168 24.564 1.00 2.15 O ATOM 660 NE2 GLN A 41 -26.116 17.735 24.931 1.00 2.00 N ATOM 0 H GLN A 41 -27.717 17.414 19.361 1.00 0.22 H new ATOM 0 HA GLN A 41 -25.597 15.597 20.212 1.00 0.27 H new ATOM 0 HB2 GLN A 41 -28.100 16.118 21.868 1.00 0.41 H new ATOM 0 HB3 GLN A 41 -26.920 14.857 22.168 1.00 0.41 H new ATOM 0 HG2 GLN A 41 -25.178 16.566 22.614 1.00 0.37 H new ATOM 0 HG3 GLN A 41 -26.322 17.846 22.260 1.00 0.37 H new ATOM 0 HE21 GLN A 41 -25.354 18.324 24.595 1.00 2.00 H new ATOM 0 HE22 GLN A 41 -26.450 17.830 25.890 1.00 2.00 H new ATOM 669 N GLN A 42 -26.933 13.720 19.196 1.00 0.27 N ATOM 670 CA GLN A 42 -27.657 12.492 18.875 1.00 0.30 C ATOM 671 C GLN A 42 -27.098 11.350 19.712 1.00 0.33 C ATOM 672 O GLN A 42 -25.872 11.239 19.804 1.00 0.42 O ATOM 673 CB GLN A 42 -27.538 12.107 17.391 1.00 0.43 C ATOM 674 CG GLN A 42 -28.292 13.016 16.423 1.00 0.51 C ATOM 675 CD GLN A 42 -27.641 14.372 16.222 1.00 0.77 C ATOM 676 OE1 GLN A 42 -26.449 14.472 15.978 1.00 1.16 O ATOM 677 NE2 GLN A 42 -28.420 15.412 16.021 1.00 0.73 N ATOM 0 H GLN A 42 -25.920 13.603 19.158 1.00 0.27 H new ATOM 0 HA GLN A 42 -28.710 12.671 19.094 1.00 0.30 H new ATOM 0 HB2 GLN A 42 -26.483 12.105 17.116 1.00 0.43 H new ATOM 0 HB3 GLN A 42 -27.902 11.087 17.266 1.00 0.43 H new ATOM 0 HG2 GLN A 42 -28.373 12.516 15.458 1.00 0.51 H new ATOM 0 HG3 GLN A 42 -29.307 13.162 16.792 1.00 0.51 H new ATOM 0 HE21 GLN A 42 -29.418 15.347 16.219 1.00 0.73 H new ATOM 0 HE22 GLN A 42 -28.026 16.284 15.667 1.00 0.73 H new ATOM 686 N ASP A 43 -27.963 10.379 19.984 1.00 0.31 N ATOM 687 CA ASP A 43 -27.556 8.989 20.180 1.00 0.36 C ATOM 688 C ASP A 43 -28.643 8.098 19.555 1.00 0.37 C ATOM 689 O ASP A 43 -29.831 8.406 19.592 1.00 0.38 O ATOM 690 CB ASP A 43 -27.345 8.670 21.668 1.00 0.43 C ATOM 691 CG ASP A 43 -26.613 7.337 21.860 1.00 0.97 C ATOM 692 OD1 ASP A 43 -26.228 6.729 20.831 1.00 1.01 O ATOM 693 OD2 ASP A 43 -26.257 7.048 23.021 1.00 1.68 O ATOM 0 H ASP A 43 -28.967 10.532 20.075 1.00 0.31 H new ATOM 0 HA ASP A 43 -26.597 8.803 19.696 1.00 0.36 H new ATOM 0 HB2 ASP A 43 -26.772 9.471 22.135 1.00 0.43 H new ATOM 0 HB3 ASP A 43 -28.310 8.632 22.173 1.00 0.43 H new ATOM 698 N GLY A 44 -28.205 7.085 18.814 1.00 0.43 N ATOM 699 CA GLY A 44 -29.095 6.171 18.012 1.00 0.50 C ATOM 700 C GLY A 44 -30.177 6.831 17.144 1.00 0.60 C ATOM 701 O GLY A 44 -29.972 7.338 16.041 1.00 1.24 O ATOM 0 H GLY A 44 -27.215 6.851 18.735 1.00 0.43 H new ATOM 0 HA2 GLY A 44 -28.462 5.567 17.362 1.00 0.50 H new ATOM 0 HA3 GLY A 44 -29.587 5.486 18.703 1.00 0.50 H new ATOM 705 N GLN A 45 -31.401 6.548 17.584 1.00 0.34 N ATOM 706 CA GLN A 45 -32.615 7.017 16.943 1.00 0.30 C ATOM 707 C GLN A 45 -32.980 8.434 17.410 1.00 0.29 C ATOM 708 O GLN A 45 -33.908 9.009 16.834 1.00 0.32 O ATOM 709 CB GLN A 45 -33.753 6.022 17.249 1.00 0.31 C ATOM 710 CG GLN A 45 -34.777 5.926 16.102 1.00 0.32 C ATOM 711 CD GLN A 45 -34.295 5.057 14.942 1.00 0.76 C ATOM 712 OE1 GLN A 45 -34.011 5.391 13.794 1.00 1.37 O ATOM 713 NE2 GLN A 45 -34.155 3.769 15.174 1.00 1.02 N ATOM 0 H GLN A 45 -31.574 5.976 18.411 1.00 0.34 H new ATOM 0 HA GLN A 45 -32.457 7.069 15.866 1.00 0.30 H new ATOM 0 HB2 GLN A 45 -33.328 5.036 17.436 1.00 0.31 H new ATOM 0 HB3 GLN A 45 -34.263 6.328 18.162 1.00 0.31 H new ATOM 0 HG2 GLN A 45 -35.711 5.519 16.490 1.00 0.32 H new ATOM 0 HG3 GLN A 45 -34.995 6.928 15.732 1.00 0.32 H new ATOM 0 HE21 GLN A 45 -34.366 3.391 16.098 1.00 1.02 H new ATOM 0 HE22 GLN A 45 -33.836 3.149 14.430 1.00 1.02 H new ATOM 722 N ASP A 46 -32.326 9.010 18.438 1.00 0.30 N ATOM 723 CA ASP A 46 -32.823 10.222 19.171 1.00 0.34 C ATOM 724 C ASP A 46 -31.975 11.452 18.939 1.00 0.35 C ATOM 725 O ASP A 46 -30.748 11.372 19.008 1.00 0.49 O ATOM 726 CB ASP A 46 -33.022 9.937 20.734 1.00 0.40 C ATOM 727 CG ASP A 46 -33.966 8.762 20.949 1.00 1.10 C ATOM 728 OD1 ASP A 46 -35.188 8.969 20.584 1.00 1.18 O ATOM 729 OD2 ASP A 46 -33.545 7.745 21.524 1.00 1.85 O ATOM 0 H ASP A 46 -31.437 8.658 18.794 1.00 0.30 H new ATOM 0 HA ASP A 46 -33.802 10.441 18.745 1.00 0.34 H new ATOM 0 HB2 ASP A 46 -32.058 9.725 21.196 1.00 0.40 H new ATOM 0 HB3 ASP A 46 -33.421 10.825 21.223 1.00 0.40 H new ATOM 734 N PHE A 47 -32.637 12.552 18.586 1.00 0.26 N ATOM 735 CA PHE A 47 -32.060 13.726 17.949 1.00 0.26 C ATOM 736 C PHE A 47 -32.355 15.038 18.669 1.00 0.19 C ATOM 737 O PHE A 47 -33.513 15.401 18.859 1.00 0.21 O ATOM 738 CB PHE A 47 -32.442 13.804 16.453 1.00 0.31 C ATOM 739 CG PHE A 47 -31.798 12.791 15.518 1.00 1.56 C ATOM 740 CD1 PHE A 47 -32.144 11.434 15.631 1.00 2.65 C ATOM 741 CD2 PHE A 47 -30.880 13.181 14.520 1.00 1.72 C ATOM 742 CE1 PHE A 47 -31.515 10.460 14.840 1.00 3.87 C ATOM 743 CE2 PHE A 47 -30.252 12.204 13.723 1.00 2.93 C ATOM 744 CZ PHE A 47 -30.558 10.843 13.892 1.00 3.99 C ATOM 0 H PHE A 47 -33.640 12.650 18.746 1.00 0.26 H new ATOM 0 HA PHE A 47 -30.981 13.592 18.024 1.00 0.26 H new ATOM 0 HB2 PHE A 47 -33.524 13.696 16.374 1.00 0.31 H new ATOM 0 HB3 PHE A 47 -32.194 14.802 16.092 1.00 0.31 H new ATOM 0 HD1 PHE A 47 -32.905 11.136 16.337 1.00 2.65 H new ATOM 0 HD2 PHE A 47 -30.659 14.227 14.367 1.00 1.72 H new ATOM 0 HE1 PHE A 47 -31.769 9.417 14.962 1.00 3.87 H new ATOM 0 HE2 PHE A 47 -29.530 12.503 12.977 1.00 2.93 H new ATOM 0 HZ PHE A 47 -30.058 10.096 13.294 1.00 3.99 H new ATOM 754 N THR A 48 -31.323 15.839 18.934 1.00 0.22 N ATOM 755 CA THR A 48 -31.424 17.166 19.479 1.00 0.23 C ATOM 756 C THR A 48 -30.672 18.069 18.624 1.00 0.21 C ATOM 757 O THR A 48 -29.520 17.799 18.250 1.00 0.21 O ATOM 758 CB THR A 48 -30.960 17.374 20.853 1.00 0.25 C ATOM 759 OG1 THR A 48 -31.668 16.464 21.689 1.00 0.27 O ATOM 760 CG2 THR A 48 -31.277 18.802 21.382 1.00 0.29 C ATOM 0 H THR A 48 -30.358 15.556 18.762 1.00 0.22 H new ATOM 0 HA THR A 48 -32.497 17.355 19.514 1.00 0.23 H new ATOM 0 HB THR A 48 -29.880 17.228 20.864 1.00 0.25 H new ATOM 0 HG1 THR A 48 -31.377 16.579 22.618 1.00 0.27 H new ATOM 0 HG21 THR A 48 -30.911 18.901 22.404 1.00 0.29 H new ATOM 0 HG22 THR A 48 -30.788 19.542 20.748 1.00 0.29 H new ATOM 0 HG23 THR A 48 -32.355 18.966 21.365 1.00 0.29 H new ATOM 768 N TRP A 49 -31.412 19.049 18.128 1.00 0.23 N ATOM 769 CA TRP A 49 -31.015 20.226 17.386 1.00 0.24 C ATOM 770 C TRP A 49 -31.282 21.421 18.317 1.00 0.25 C ATOM 771 O TRP A 49 -32.355 21.497 18.917 1.00 0.29 O ATOM 772 CB TRP A 49 -31.823 20.173 16.069 1.00 0.29 C ATOM 773 CG TRP A 49 -31.950 21.377 15.186 1.00 0.26 C ATOM 774 CD1 TRP A 49 -32.290 22.617 15.594 1.00 0.29 C ATOM 775 CD2 TRP A 49 -31.991 21.432 13.720 1.00 0.23 C ATOM 776 NE1 TRP A 49 -32.445 23.441 14.504 1.00 0.29 N ATOM 777 CE2 TRP A 49 -32.257 22.771 13.317 1.00 0.25 C ATOM 778 CE3 TRP A 49 -31.868 20.486 12.682 1.00 0.22 C ATOM 779 CZ2 TRP A 49 -32.290 23.171 11.974 1.00 0.24 C ATOM 780 CZ3 TRP A 49 -31.918 20.865 11.328 1.00 0.21 C ATOM 781 CH2 TRP A 49 -32.101 22.207 10.970 1.00 0.22 C ATOM 0 H TRP A 49 -32.424 19.031 18.254 1.00 0.23 H new ATOM 0 HA TRP A 49 -29.966 20.303 17.098 1.00 0.24 H new ATOM 0 HB2 TRP A 49 -31.390 19.378 15.462 1.00 0.29 H new ATOM 0 HB3 TRP A 49 -32.835 19.861 16.329 1.00 0.29 H new ATOM 0 HD1 TRP A 49 -32.421 22.918 16.623 1.00 0.29 H new ATOM 0 HE1 TRP A 49 -32.673 24.433 14.568 1.00 0.29 H new ATOM 0 HE3 TRP A 49 -31.732 19.444 12.932 1.00 0.22 H new ATOM 0 HZ2 TRP A 49 -32.458 24.206 11.715 1.00 0.24 H new ATOM 0 HZ3 TRP A 49 -31.814 20.115 10.558 1.00 0.21 H new ATOM 0 HH2 TRP A 49 -32.097 22.498 9.930 1.00 0.22 H new ATOM 792 N SER A 50 -30.268 22.221 18.650 1.00 0.23 N ATOM 793 CA SER A 50 -30.397 23.342 19.593 1.00 0.25 C ATOM 794 C SER A 50 -29.780 24.603 19.006 1.00 0.26 C ATOM 795 O SER A 50 -28.659 24.603 18.515 1.00 0.32 O ATOM 796 CB SER A 50 -29.833 22.977 20.973 1.00 0.26 C ATOM 797 OG SER A 50 -29.816 24.073 21.866 1.00 1.22 O ATOM 0 H SER A 50 -29.327 22.112 18.273 1.00 0.23 H new ATOM 0 HA SER A 50 -31.455 23.553 19.750 1.00 0.25 H new ATOM 0 HB2 SER A 50 -30.430 22.173 21.403 1.00 0.26 H new ATOM 0 HB3 SER A 50 -28.819 22.594 20.856 1.00 0.26 H new ATOM 0 HG SER A 50 -29.265 23.851 22.646 1.00 1.22 H new ATOM 803 N GLN A 51 -30.557 25.677 19.087 1.00 0.26 N ATOM 804 CA GLN A 51 -30.312 26.997 18.525 1.00 0.27 C ATOM 805 C GLN A 51 -30.091 27.992 19.660 1.00 0.28 C ATOM 806 O GLN A 51 -30.932 28.081 20.561 1.00 0.31 O ATOM 807 CB GLN A 51 -31.549 27.415 17.719 1.00 0.35 C ATOM 808 CG GLN A 51 -31.897 26.453 16.576 1.00 0.53 C ATOM 809 CD GLN A 51 -33.167 25.641 16.830 1.00 0.69 C ATOM 810 OE1 GLN A 51 -33.291 24.917 17.805 1.00 1.50 O ATOM 811 NE2 GLN A 51 -34.046 25.558 15.853 1.00 0.53 N ATOM 0 H GLN A 51 -31.445 25.643 19.588 1.00 0.26 H new ATOM 0 HA GLN A 51 -29.431 26.978 17.883 1.00 0.27 H new ATOM 0 HB2 GLN A 51 -32.403 27.488 18.393 1.00 0.35 H new ATOM 0 HB3 GLN A 51 -31.383 28.410 17.306 1.00 0.35 H new ATOM 0 HG2 GLN A 51 -32.018 27.024 15.655 1.00 0.53 H new ATOM 0 HG3 GLN A 51 -31.063 25.769 16.420 1.00 0.53 H new ATOM 0 HE21 GLN A 51 -33.955 26.157 15.032 1.00 0.53 H new ATOM 0 HE22 GLN A 51 -34.818 24.895 15.917 1.00 0.53 H new ATOM 820 N HIS A 52 -29.003 28.772 19.638 1.00 0.36 N ATOM 821 CA HIS A 52 -28.830 29.840 20.635 1.00 0.39 C ATOM 822 C HIS A 52 -28.751 31.172 19.889 1.00 0.41 C ATOM 823 O HIS A 52 -27.859 31.344 19.062 1.00 0.45 O ATOM 824 CB HIS A 52 -27.597 29.585 21.529 1.00 0.41 C ATOM 825 CG HIS A 52 -27.541 28.337 22.394 1.00 0.85 C ATOM 826 ND1 HIS A 52 -26.983 28.290 23.666 1.00 1.08 N ATOM 827 CD2 HIS A 52 -27.869 27.049 22.052 1.00 1.97 C ATOM 828 CE1 HIS A 52 -26.990 27.009 24.086 1.00 1.53 C ATOM 829 NE2 HIS A 52 -27.553 26.252 23.135 1.00 2.21 N ATOM 0 H HIS A 52 -28.246 28.689 18.960 1.00 0.36 H new ATOM 0 HA HIS A 52 -29.681 29.863 21.316 1.00 0.39 H new ATOM 0 HB2 HIS A 52 -26.721 29.571 20.880 1.00 0.41 H new ATOM 0 HB3 HIS A 52 -27.490 30.445 22.190 1.00 0.41 H new ATOM 0 HD1 HIS A 52 -26.629 29.089 24.192 1.00 1.08 H new ATOM 0 HD2 HIS A 52 -28.293 26.721 21.115 1.00 1.97 H new ATOM 0 HE1 HIS A 52 -26.606 26.653 25.031 1.00 1.53 H new ATOM 837 N TYR A 53 -29.776 32.016 20.009 1.00 0.42 N ATOM 838 CA TYR A 53 -29.713 33.367 19.450 1.00 0.45 C ATOM 839 C TYR A 53 -28.616 34.112 20.220 1.00 0.57 C ATOM 840 O TYR A 53 -28.650 34.109 21.450 1.00 0.67 O ATOM 841 CB TYR A 53 -31.061 34.090 19.625 1.00 0.00 C ATOM 842 CG TYR A 53 -32.278 33.390 19.047 1.00 0.00 C ATOM 843 CD1 TYR A 53 -32.422 33.266 17.656 1.00 0.00 C ATOM 844 CD2 TYR A 53 -33.314 32.943 19.888 1.00 0.00 C ATOM 845 CE1 TYR A 53 -33.563 32.647 17.112 1.00 0.00 C ATOM 846 CE2 TYR A 53 -34.476 32.360 19.346 1.00 0.00 C ATOM 847 CZ TYR A 53 -34.593 32.191 17.954 1.00 0.00 C ATOM 848 OH TYR A 53 -35.724 31.656 17.435 1.00 0.00 O ATOM 0 H TYR A 53 -30.651 31.792 20.483 1.00 0.42 H new ATOM 0 HA TYR A 53 -29.496 33.332 18.382 1.00 0.45 H new ATOM 0 HB2 TYR A 53 -31.230 34.247 20.690 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -30.983 35.076 19.166 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -31.653 33.647 17.000 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -33.217 33.048 20.959 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -33.648 32.522 16.043 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -35.276 32.043 19.998 1.00 0.00 H new ATOM 0 HH TYR A 53 -35.860 30.758 17.803 1.00 0.00 H new ATOM 858 N SER A 54 -27.715 34.814 19.533 1.00 0.99 N ATOM 859 CA SER A 54 -26.609 35.558 20.163 1.00 1.16 C ATOM 860 C SER A 54 -27.093 36.771 20.980 1.00 1.53 C ATOM 861 O SER A 54 -26.590 36.995 22.073 1.00 2.11 O ATOM 862 CB SER A 54 -25.603 35.976 19.084 1.00 1.49 C ATOM 863 OG SER A 54 -25.251 34.829 18.328 1.00 2.57 O ATOM 0 H SER A 54 -27.727 34.887 18.516 1.00 0.99 H new ATOM 0 HA SER A 54 -26.122 34.896 20.879 1.00 1.16 H new ATOM 0 HB2 SER A 54 -26.037 36.738 18.436 1.00 1.49 H new ATOM 0 HB3 SER A 54 -24.716 36.414 19.542 1.00 1.49 H new ATOM 0 HG SER A 54 -25.747 34.830 17.483 1.00 2.57 H new ATOM 869 N GLY A 55 -28.260 37.332 20.629 1.00 1.89 N ATOM 870 CA GLY A 55 -29.060 38.248 21.465 1.00 2.45 C ATOM 871 C GLY A 55 -29.734 37.613 22.693 1.00 1.85 C ATOM 872 O GLY A 55 -30.425 38.298 23.436 1.00 2.24 O ATOM 0 H GLY A 55 -28.691 37.155 19.722 1.00 1.89 H new ATOM 0 HA2 GLY A 55 -28.414 39.057 21.806 1.00 2.45 H new ATOM 0 HA3 GLY A 55 -29.833 38.698 20.842 1.00 2.45 H new ATOM 876 N GLY A 56 -29.558 36.306 22.896 1.00 1.21 N ATOM 877 CA GLY A 56 -29.674 35.678 24.208 1.00 1.54 C ATOM 878 C GLY A 56 -30.939 35.004 24.547 1.00 1.32 C ATOM 879 O GLY A 56 -31.497 35.230 25.600 1.00 1.56 O ATOM 0 H GLY A 56 -29.330 35.651 22.148 1.00 1.21 H new ATOM 0 HA2 GLY A 56 -28.872 34.946 24.299 1.00 1.54 H new ATOM 0 HA3 GLY A 56 -29.493 36.445 24.961 1.00 1.54 H new ATOM 883 N HIS A 57 -31.390 34.063 23.728 1.00 0.94 N ATOM 884 CA HIS A 57 -32.400 33.088 24.158 1.00 0.81 C ATOM 885 C HIS A 57 -32.113 31.761 23.485 1.00 0.66 C ATOM 886 O HIS A 57 -31.717 31.753 22.317 1.00 0.63 O ATOM 887 CB HIS A 57 -33.812 33.617 23.857 1.00 0.85 C ATOM 888 CG HIS A 57 -34.909 32.753 24.425 1.00 0.92 C ATOM 889 ND1 HIS A 57 -35.734 31.896 23.714 1.00 0.89 N ATOM 890 CD2 HIS A 57 -35.217 32.629 25.751 1.00 1.08 C ATOM 891 CE1 HIS A 57 -36.550 31.280 24.594 1.00 1.05 C ATOM 892 NE2 HIS A 57 -36.251 31.711 25.841 1.00 1.17 N ATOM 0 H HIS A 57 -31.077 33.949 22.764 1.00 0.94 H new ATOM 0 HA HIS A 57 -32.353 32.935 25.236 1.00 0.81 H new ATOM 0 HB2 HIS A 57 -33.908 34.625 24.261 1.00 0.85 H new ATOM 0 HB3 HIS A 57 -33.941 33.692 22.777 1.00 0.85 H new ATOM 0 HD2 HIS A 57 -34.744 33.148 26.572 1.00 1.08 H new ATOM 0 HE1 HIS A 57 -37.316 30.561 24.344 1.00 1.05 H new ATOM 0 HE2 HIS A 57 -36.709 31.411 26.702 1.00 1.17 H new ATOM 900 N THR A 58 -32.288 30.638 24.177 1.00 0.61 N ATOM 901 CA THR A 58 -31.964 29.337 23.566 1.00 0.54 C ATOM 902 C THR A 58 -33.289 28.626 23.327 1.00 0.53 C ATOM 903 O THR A 58 -34.239 28.713 24.122 1.00 0.64 O ATOM 904 CB THR A 58 -31.152 28.516 24.574 1.00 0.61 C ATOM 905 OG1 THR A 58 -29.926 29.192 24.929 1.00 0.73 O ATOM 906 CG2 THR A 58 -30.799 27.113 23.882 1.00 0.60 C ATOM 0 H THR A 58 -32.641 30.593 25.133 1.00 0.61 H new ATOM 0 HA THR A 58 -31.398 29.458 22.642 1.00 0.54 H new ATOM 0 HB THR A 58 -31.734 28.377 25.485 1.00 0.61 H new ATOM 0 HG1 THR A 58 -29.169 28.748 24.492 1.00 0.73 H new ATOM 0 HG21 THR A 58 -30.220 26.502 24.574 1.00 0.60 H new ATOM 0 HG22 THR A 58 -31.721 26.593 23.623 1.00 0.60 H new ATOM 0 HG23 THR A 58 -30.216 27.290 22.978 1.00 0.60 H new ATOM 914 N MET A 59 -33.361 27.855 22.238 1.00 0.47 N ATOM 915 CA MET A 59 -34.469 26.938 21.952 1.00 0.53 C ATOM 916 C MET A 59 -34.016 25.643 21.252 1.00 0.45 C ATOM 917 O MET A 59 -32.884 25.538 20.794 1.00 0.52 O ATOM 918 CB MET A 59 -35.563 27.670 21.167 1.00 0.70 C ATOM 919 CG MET A 59 -35.016 28.377 19.925 1.00 0.68 C ATOM 920 SD MET A 59 -36.304 28.910 18.790 1.00 1.13 S ATOM 921 CE MET A 59 -36.634 27.300 18.027 1.00 0.46 C ATOM 0 H MET A 59 -32.639 27.850 21.518 1.00 0.47 H new ATOM 0 HA MET A 59 -34.884 26.614 22.906 1.00 0.53 H new ATOM 0 HB2 MET A 59 -36.330 26.956 20.867 1.00 0.70 H new ATOM 0 HB3 MET A 59 -36.044 28.402 21.816 1.00 0.70 H new ATOM 0 HG2 MET A 59 -34.433 29.244 20.235 1.00 0.68 H new ATOM 0 HG3 MET A 59 -34.335 27.705 19.402 1.00 0.68 H new ATOM 0 HE1 MET A 59 -37.179 27.444 17.094 1.00 0.46 H new ATOM 0 HE2 MET A 59 -35.690 26.794 17.822 1.00 0.46 H new ATOM 0 HE3 MET A 59 -37.232 26.691 18.706 1.00 0.46 H new ATOM 931 N THR A 60 -34.845 24.606 21.410 1.00 0.42 N ATOM 932 CA THR A 60 -34.529 23.252 20.999 1.00 0.40 C ATOM 933 C THR A 60 -35.592 22.572 20.148 1.00 0.38 C ATOM 934 O THR A 60 -36.780 22.895 20.144 1.00 0.49 O ATOM 935 CB THR A 60 -34.289 22.320 22.151 1.00 0.54 C ATOM 936 OG1 THR A 60 -35.484 22.109 22.983 1.00 0.68 O ATOM 937 CG2 THR A 60 -33.198 22.971 23.068 1.00 0.53 C ATOM 0 H THR A 60 -35.768 24.695 21.835 1.00 0.42 H new ATOM 0 HA THR A 60 -33.625 23.412 20.411 1.00 0.40 H new ATOM 0 HB THR A 60 -33.991 21.356 21.737 1.00 0.54 H new ATOM 0 HG1 THR A 60 -35.427 22.668 23.786 1.00 0.68 H new ATOM 0 HG21 THR A 60 -32.999 22.317 23.917 1.00 0.53 H new ATOM 0 HG22 THR A 60 -32.280 23.113 22.497 1.00 0.53 H new ATOM 0 HG23 THR A 60 -33.554 23.936 23.428 1.00 0.53 H new ATOM 945 N ASN A 61 -35.095 21.624 19.356 1.00 0.30 N ATOM 946 CA ASN A 61 -35.929 20.819 18.516 1.00 0.29 C ATOM 947 C ASN A 61 -35.416 19.348 18.768 1.00 0.30 C ATOM 948 O ASN A 61 -34.278 19.010 18.455 1.00 0.52 O ATOM 949 CB ASN A 61 -35.779 21.181 16.962 1.00 0.32 C ATOM 950 CG ASN A 61 -36.241 22.591 16.556 1.00 0.45 C ATOM 951 OD1 ASN A 61 -35.834 23.037 15.478 1.00 0.84 O ATOM 952 ND2 ASN A 61 -36.946 23.390 17.416 1.00 0.47 N ATOM 0 H ASN A 61 -34.101 21.405 19.290 1.00 0.30 H new ATOM 0 HA ASN A 61 -36.983 20.970 18.751 1.00 0.29 H new ATOM 0 HB2 ASN A 61 -34.732 21.067 16.681 1.00 0.32 H new ATOM 0 HB3 ASN A 61 -36.346 20.452 16.382 1.00 0.32 H new ATOM 0 HD21 ASN A 61 -37.138 24.361 17.168 1.00 0.47 H new ATOM 0 HD22 ASN A 61 -37.279 23.015 18.304 1.00 0.47 H new ATOM 959 N LYS A 62 -36.282 18.522 19.382 1.00 0.29 N ATOM 960 CA LYS A 62 -35.963 17.301 20.134 1.00 0.29 C ATOM 961 C LYS A 62 -36.885 16.230 19.619 1.00 0.29 C ATOM 962 O LYS A 62 -38.046 16.235 19.836 1.00 0.39 O ATOM 963 CB LYS A 62 -36.207 17.450 21.621 1.00 0.28 C ATOM 964 CG LYS A 62 -35.247 18.408 22.318 1.00 0.31 C ATOM 965 CD LYS A 62 -34.990 18.095 23.777 1.00 0.43 C ATOM 966 CE LYS A 62 -33.986 19.080 24.409 1.00 0.46 C ATOM 967 NZ LYS A 62 -34.620 20.155 25.112 1.00 0.83 N ATOM 0 H LYS A 62 -37.286 18.703 19.363 1.00 0.29 H new ATOM 0 HA LYS A 62 -34.907 17.069 19.998 1.00 0.29 H new ATOM 0 HB2 LYS A 62 -37.228 17.798 21.777 1.00 0.28 H new ATOM 0 HB3 LYS A 62 -36.129 16.470 22.091 1.00 0.28 H new ATOM 0 HG2 LYS A 62 -34.296 18.399 21.785 1.00 0.31 H new ATOM 0 HG3 LYS A 62 -35.646 19.420 22.242 1.00 0.31 H new ATOM 0 HD2 LYS A 62 -35.930 18.132 24.327 1.00 0.43 H new ATOM 0 HD3 LYS A 62 -34.607 17.078 23.868 1.00 0.43 H new ATOM 0 HE2 LYS A 62 -33.337 18.537 25.096 1.00 0.46 H new ATOM 0 HE3 LYS A 62 -33.348 19.492 23.627 1.00 0.46 H new ATOM 0 HZ1 LYS A 62 -33.945 20.578 25.781 1.00 0.83 H new ATOM 0 HZ2 LYS A 62 -34.933 20.878 24.432 1.00 0.83 H new ATOM 0 HZ3 LYS A 62 -35.443 19.791 25.633 1.00 0.83 H new ATOM 981 N PHE A 63 -36.378 15.267 18.837 1.00 0.27 N ATOM 982 CA PHE A 63 -37.220 14.311 18.075 1.00 0.25 C ATOM 983 C PHE A 63 -36.557 12.924 17.938 1.00 0.22 C ATOM 984 O PHE A 63 -35.399 12.760 18.305 1.00 0.22 O ATOM 985 CB PHE A 63 -37.527 14.896 16.681 1.00 0.30 C ATOM 986 CG PHE A 63 -36.354 14.982 15.723 1.00 0.30 C ATOM 987 CD1 PHE A 63 -35.458 16.063 15.799 1.00 0.53 C ATOM 988 CD2 PHE A 63 -36.169 13.985 14.743 1.00 0.34 C ATOM 989 CE1 PHE A 63 -34.375 16.139 14.908 1.00 0.58 C ATOM 990 CE2 PHE A 63 -35.078 14.056 13.861 1.00 0.40 C ATOM 991 CZ PHE A 63 -34.185 15.139 13.937 1.00 0.42 C ATOM 0 H PHE A 63 -35.376 15.122 18.709 1.00 0.27 H new ATOM 0 HA PHE A 63 -38.146 14.166 18.631 1.00 0.25 H new ATOM 0 HB2 PHE A 63 -38.305 14.290 16.218 1.00 0.30 H new ATOM 0 HB3 PHE A 63 -37.938 15.897 16.811 1.00 0.30 H new ATOM 0 HD1 PHE A 63 -35.602 16.834 16.542 1.00 0.53 H new ATOM 0 HD2 PHE A 63 -36.868 13.165 14.670 1.00 0.34 H new ATOM 0 HE1 PHE A 63 -33.686 16.968 14.969 1.00 0.58 H new ATOM 0 HE2 PHE A 63 -34.926 13.280 13.126 1.00 0.40 H new ATOM 0 HZ PHE A 63 -33.354 15.203 13.250 1.00 0.42 H new ATOM 1001 N THR A 64 -37.251 11.975 17.292 1.00 0.21 N ATOM 1002 CA THR A 64 -36.807 10.648 17.079 1.00 0.19 C ATOM 1003 C THR A 64 -37.104 10.369 15.642 1.00 0.18 C ATOM 1004 O THR A 64 -38.236 10.539 15.213 1.00 0.21 O ATOM 1005 CB THR A 64 -37.509 9.598 18.030 1.00 0.22 C ATOM 1006 OG1 THR A 64 -37.382 9.907 19.378 1.00 0.29 O ATOM 1007 CG2 THR A 64 -36.927 8.194 17.879 1.00 0.21 C ATOM 0 H THR A 64 -38.175 12.151 16.898 1.00 0.21 H new ATOM 0 HA THR A 64 -35.747 10.552 17.312 1.00 0.19 H new ATOM 0 HB THR A 64 -38.554 9.635 17.722 1.00 0.22 H new ATOM 0 HG1 THR A 64 -36.552 9.520 19.726 1.00 0.29 H new ATOM 0 HG21 THR A 64 -37.444 7.511 18.554 1.00 0.21 H new ATOM 0 HG22 THR A 64 -37.056 7.855 16.851 1.00 0.21 H new ATOM 0 HG23 THR A 64 -35.865 8.212 18.124 1.00 0.21 H new ATOM 1015 N VAL A 65 -36.063 9.996 14.875 1.00 0.18 N ATOM 1016 CA VAL A 65 -36.106 9.884 13.417 1.00 0.19 C ATOM 1017 C VAL A 65 -37.030 8.677 12.995 1.00 0.18 C ATOM 1018 O VAL A 65 -37.027 7.669 13.687 1.00 0.25 O ATOM 1019 CB VAL A 65 -34.730 9.906 12.817 1.00 0.28 C ATOM 1020 CG1 VAL A 65 -33.984 8.560 13.041 1.00 0.60 C ATOM 1021 CG2 VAL A 65 -34.788 10.167 11.277 1.00 0.86 C ATOM 0 H VAL A 65 -35.151 9.760 15.267 1.00 0.18 H new ATOM 0 HA VAL A 65 -36.578 10.767 12.985 1.00 0.19 H new ATOM 0 HB VAL A 65 -34.194 10.713 13.317 1.00 0.28 H new ATOM 0 HG11 VAL A 65 -32.992 8.615 12.593 1.00 0.60 H new ATOM 0 HG12 VAL A 65 -33.889 8.370 14.110 1.00 0.60 H new ATOM 0 HG13 VAL A 65 -34.547 7.750 12.577 1.00 0.60 H new ATOM 0 HG21 VAL A 65 -33.776 10.177 10.871 1.00 0.86 H new ATOM 0 HG22 VAL A 65 -35.364 9.377 10.795 1.00 0.86 H new ATOM 0 HG23 VAL A 65 -35.264 11.129 11.089 1.00 0.86 H new ATOM 1031 N GLY A 66 -37.803 8.847 11.896 1.00 0.16 N ATOM 1032 CA GLY A 66 -38.763 7.818 11.441 1.00 0.19 C ATOM 1033 C GLY A 66 -40.072 7.940 12.205 1.00 0.20 C ATOM 1034 O GLY A 66 -41.080 7.240 11.888 1.00 0.26 O ATOM 0 H GLY A 66 -37.780 9.683 11.312 1.00 0.16 H new ATOM 0 HA2 GLY A 66 -38.946 7.930 10.372 1.00 0.19 H new ATOM 0 HA3 GLY A 66 -38.339 6.825 11.589 1.00 0.19 H new ATOM 1038 N LYS A 67 -40.218 8.922 13.116 1.00 0.18 N ATOM 1039 CA LYS A 67 -41.429 9.158 13.923 1.00 0.20 C ATOM 1040 C LYS A 67 -41.987 10.571 13.723 1.00 0.21 C ATOM 1041 O LYS A 67 -41.241 11.547 13.705 1.00 0.41 O ATOM 1042 CB LYS A 67 -41.073 8.857 15.387 1.00 0.35 C ATOM 1043 CG LYS A 67 -42.263 8.737 16.345 1.00 0.36 C ATOM 1044 CD LYS A 67 -41.711 8.330 17.718 1.00 0.65 C ATOM 1045 CE LYS A 67 -42.821 8.148 18.755 1.00 0.84 C ATOM 1046 NZ LYS A 67 -42.254 7.717 20.060 1.00 1.54 N ATOM 0 H LYS A 67 -39.475 9.591 13.316 1.00 0.18 H new ATOM 0 HA LYS A 67 -42.234 8.497 13.602 1.00 0.20 H new ATOM 0 HB2 LYS A 67 -40.507 7.926 15.421 1.00 0.35 H new ATOM 0 HB3 LYS A 67 -40.414 9.645 15.752 1.00 0.35 H new ATOM 0 HG2 LYS A 67 -42.798 9.684 16.412 1.00 0.36 H new ATOM 0 HG3 LYS A 67 -42.974 7.995 15.982 1.00 0.36 H new ATOM 0 HD2 LYS A 67 -41.150 7.400 17.621 1.00 0.65 H new ATOM 0 HD3 LYS A 67 -41.011 9.090 18.066 1.00 0.65 H new ATOM 0 HE2 LYS A 67 -43.366 9.084 18.881 1.00 0.84 H new ATOM 0 HE3 LYS A 67 -43.538 7.407 18.402 1.00 0.84 H new ATOM 0 HZ1 LYS A 67 -43.023 7.599 20.750 1.00 1.54 H new ATOM 0 HZ2 LYS A 67 -41.755 6.813 19.940 1.00 1.54 H new ATOM 0 HZ3 LYS A 67 -41.588 8.438 20.404 1.00 1.54 H new ATOM 1060 N GLU A 68 -43.312 10.692 13.626 1.00 0.20 N ATOM 1061 CA GLU A 68 -44.002 11.978 13.456 1.00 0.23 C ATOM 1062 C GLU A 68 -44.092 12.784 14.778 1.00 0.29 C ATOM 1063 O GLU A 68 -43.896 12.268 15.881 1.00 0.38 O ATOM 1064 CB GLU A 68 -45.391 11.736 12.813 1.00 0.28 C ATOM 1065 CG GLU A 68 -46.000 13.003 12.180 1.00 0.36 C ATOM 1066 CD GLU A 68 -47.298 12.745 11.408 1.00 0.49 C ATOM 1067 OE1 GLU A 68 -47.166 12.467 10.202 1.00 0.57 O ATOM 1068 OE2 GLU A 68 -48.349 13.221 11.914 1.00 0.62 O ATOM 0 H GLU A 68 -43.945 9.893 13.663 1.00 0.20 H new ATOM 0 HA GLU A 68 -43.412 12.601 12.783 1.00 0.23 H new ATOM 0 HB2 GLU A 68 -45.300 10.964 12.049 1.00 0.28 H new ATOM 0 HB3 GLU A 68 -46.073 11.354 13.572 1.00 0.28 H new ATOM 0 HG2 GLU A 68 -46.194 13.733 12.966 1.00 0.36 H new ATOM 0 HG3 GLU A 68 -45.269 13.448 11.505 1.00 0.36 H new ATOM 1075 N SER A 69 -44.483 14.056 14.663 1.00 0.29 N ATOM 1076 CA SER A 69 -45.114 14.897 15.761 1.00 0.34 C ATOM 1077 C SER A 69 -44.198 15.236 16.907 1.00 0.34 C ATOM 1078 O SER A 69 -44.669 15.552 18.016 1.00 0.40 O ATOM 1079 CB SER A 69 -46.515 14.274 16.241 1.00 0.43 C ATOM 1080 OG SER A 69 -47.576 14.498 15.290 1.00 1.30 O ATOM 0 H SER A 69 -44.379 14.572 13.789 1.00 0.29 H new ATOM 0 HA SER A 69 -45.319 15.865 15.304 1.00 0.34 H new ATOM 0 HB2 SER A 69 -46.396 13.202 16.401 1.00 0.43 H new ATOM 0 HB3 SER A 69 -46.793 14.711 17.200 1.00 0.43 H new ATOM 0 HG SER A 69 -48.406 14.100 15.626 1.00 1.30 H new ATOM 1086 N ASN A 70 -42.885 15.154 16.721 1.00 0.32 N ATOM 1087 CA ASN A 70 -41.896 15.583 17.714 1.00 0.38 C ATOM 1088 C ASN A 70 -41.058 16.779 17.212 1.00 0.34 C ATOM 1089 O ASN A 70 -39.990 17.070 17.738 1.00 0.37 O ATOM 1090 CB ASN A 70 -41.086 14.354 18.169 1.00 0.49 C ATOM 1091 CG ASN A 70 -41.917 13.390 19.003 1.00 0.63 C ATOM 1092 OD1 ASN A 70 -41.855 13.366 20.218 1.00 0.98 O ATOM 1093 ND2 ASN A 70 -42.653 12.478 18.410 1.00 0.85 N ATOM 0 H ASN A 70 -42.468 14.784 15.867 1.00 0.32 H new ATOM 0 HA ASN A 70 -42.390 15.979 18.601 1.00 0.38 H new ATOM 0 HB2 ASN A 70 -40.699 13.833 17.294 1.00 0.49 H new ATOM 0 HB3 ASN A 70 -40.225 14.684 18.750 1.00 0.49 H new ATOM 0 HD21 ASN A 70 -43.148 11.781 18.967 1.00 0.85 H new ATOM 0 HD22 ASN A 70 -42.729 12.466 17.393 1.00 0.85 H new ATOM 1100 N ILE A 71 -41.461 17.293 16.053 1.00 0.30 N ATOM 1101 CA ILE A 71 -40.702 18.193 15.217 1.00 0.28 C ATOM 1102 C ILE A 71 -41.119 19.615 15.576 1.00 0.29 C ATOM 1103 O ILE A 71 -42.294 19.973 15.450 1.00 0.30 O ATOM 1104 CB ILE A 71 -40.957 17.837 13.737 1.00 0.24 C ATOM 1105 CG1 ILE A 71 -40.300 16.513 13.276 1.00 0.24 C ATOM 1106 CG2 ILE A 71 -40.441 18.972 12.857 1.00 0.23 C ATOM 1107 CD1 ILE A 71 -40.920 15.231 13.846 1.00 0.24 C ATOM 0 H ILE A 71 -42.376 17.076 15.659 1.00 0.30 H new ATOM 0 HA ILE A 71 -39.628 18.105 15.378 1.00 0.28 H new ATOM 0 HB ILE A 71 -42.034 17.699 13.639 1.00 0.24 H new ATOM 0 HG12 ILE A 71 -40.346 16.465 12.188 1.00 0.24 H new ATOM 0 HG13 ILE A 71 -39.245 16.537 13.549 1.00 0.24 H new ATOM 0 HG21 ILE A 71 -40.617 18.729 11.809 1.00 0.23 H new ATOM 0 HG22 ILE A 71 -40.965 19.894 13.108 1.00 0.23 H new ATOM 0 HG23 ILE A 71 -39.372 19.105 13.024 1.00 0.23 H new ATOM 0 HD11 ILE A 71 -40.384 14.364 13.459 1.00 0.24 H new ATOM 0 HD12 ILE A 71 -40.849 15.245 14.934 1.00 0.24 H new ATOM 0 HD13 ILE A 71 -41.968 15.171 13.551 1.00 0.24 H new ATOM 1119 N GLN A 72 -40.145 20.460 15.891 1.00 0.29 N ATOM 1120 CA GLN A 72 -40.367 21.897 16.021 1.00 0.33 C ATOM 1121 C GLN A 72 -39.528 22.669 15.003 1.00 0.31 C ATOM 1122 O GLN A 72 -38.644 22.096 14.378 1.00 0.29 O ATOM 1123 CB GLN A 72 -40.110 22.357 17.462 1.00 0.38 C ATOM 1124 CG GLN A 72 -41.181 21.849 18.437 1.00 0.46 C ATOM 1125 CD GLN A 72 -41.265 22.727 19.681 1.00 0.95 C ATOM 1126 OE1 GLN A 72 -40.279 23.055 20.321 1.00 1.15 O ATOM 1127 NE2 GLN A 72 -42.443 23.148 20.076 1.00 1.96 N ATOM 0 H GLN A 72 -39.182 20.171 16.063 1.00 0.29 H new ATOM 0 HA GLN A 72 -41.412 22.113 15.799 1.00 0.33 H new ATOM 0 HB2 GLN A 72 -39.131 22.003 17.785 1.00 0.38 H new ATOM 0 HB3 GLN A 72 -40.081 23.446 17.493 1.00 0.38 H new ATOM 0 HG2 GLN A 72 -42.150 21.830 17.938 1.00 0.46 H new ATOM 0 HG3 GLN A 72 -40.952 20.824 18.729 1.00 0.46 H new ATOM 0 HE21 GLN A 72 -43.280 22.885 19.555 1.00 1.96 H new ATOM 0 HE22 GLN A 72 -42.522 23.738 20.904 1.00 1.96 H new ATOM 1136 N THR A 73 -39.886 23.918 14.736 1.00 0.36 N ATOM 1137 CA THR A 73 -39.233 24.768 13.735 1.00 0.38 C ATOM 1138 C THR A 73 -38.146 25.688 14.315 1.00 0.42 C ATOM 1139 O THR A 73 -37.920 25.732 15.527 1.00 0.43 O ATOM 1140 CB THR A 73 -40.288 25.580 12.993 1.00 0.42 C ATOM 1141 OG1 THR A 73 -40.887 26.499 13.864 1.00 0.48 O ATOM 1142 CG2 THR A 73 -41.359 24.774 12.266 1.00 0.40 C ATOM 0 H THR A 73 -40.655 24.384 15.217 1.00 0.36 H new ATOM 0 HA THR A 73 -38.714 24.103 13.044 1.00 0.38 H new ATOM 0 HB THR A 73 -39.739 26.088 12.200 1.00 0.42 H new ATOM 0 HG1 THR A 73 -40.438 27.366 13.784 1.00 0.48 H new ATOM 0 HG21 THR A 73 -42.055 25.454 11.774 1.00 0.40 H new ATOM 0 HG22 THR A 73 -40.889 24.134 11.520 1.00 0.40 H new ATOM 0 HG23 THR A 73 -41.900 24.157 12.984 1.00 0.40 H new ATOM 1150 N MET A 74 -37.501 26.489 13.456 1.00 0.45 N ATOM 1151 CA MET A 74 -36.439 27.442 13.827 1.00 0.51 C ATOM 1152 C MET A 74 -36.923 28.653 14.605 1.00 0.60 C ATOM 1153 O MET A 74 -36.192 29.151 15.463 1.00 0.78 O ATOM 1154 CB MET A 74 -35.712 27.917 12.570 1.00 0.63 C ATOM 1155 CG MET A 74 -34.620 28.973 12.756 1.00 0.69 C ATOM 1156 SD MET A 74 -33.231 28.450 13.792 1.00 1.11 S ATOM 1157 CE MET A 74 -32.654 26.976 12.911 1.00 0.59 C ATOM 0 H MET A 74 -37.707 26.494 12.457 1.00 0.45 H new ATOM 0 HA MET A 74 -35.772 26.895 14.493 1.00 0.51 H new ATOM 0 HB2 MET A 74 -35.264 27.048 12.089 1.00 0.63 H new ATOM 0 HB3 MET A 74 -36.455 28.316 11.879 1.00 0.63 H new ATOM 0 HG2 MET A 74 -34.238 29.257 11.776 1.00 0.69 H new ATOM 0 HG3 MET A 74 -35.067 29.865 13.195 1.00 0.69 H new ATOM 0 HE1 MET A 74 -31.627 26.756 13.204 1.00 0.59 H new ATOM 0 HE2 MET A 74 -33.293 26.129 13.162 1.00 0.59 H new ATOM 0 HE3 MET A 74 -32.694 27.155 11.837 1.00 0.59 H new ATOM 1167 N GLY A 75 -38.147 29.113 14.354 1.00 0.57 N ATOM 1168 CA GLY A 75 -38.773 30.065 15.240 1.00 0.65 C ATOM 1169 C GLY A 75 -39.553 29.392 16.358 1.00 0.64 C ATOM 1170 O GLY A 75 -40.184 30.075 17.156 1.00 0.73 O ATOM 0 H GLY A 75 -38.712 28.839 13.550 1.00 0.57 H new ATOM 0 HA2 GLY A 75 -38.009 30.712 15.672 1.00 0.65 H new ATOM 0 HA3 GLY A 75 -39.444 30.704 14.666 1.00 0.65 H new ATOM 1174 N GLY A 76 -39.644 28.047 16.427 1.00 0.56 N ATOM 1175 CA GLY A 76 -40.127 27.297 17.612 1.00 0.57 C ATOM 1176 C GLY A 76 -41.549 26.697 17.588 1.00 0.58 C ATOM 1177 O GLY A 76 -42.090 26.367 18.642 1.00 0.63 O ATOM 0 H GLY A 76 -39.381 27.440 15.651 1.00 0.56 H new ATOM 0 HA2 GLY A 76 -39.428 26.480 17.792 1.00 0.57 H new ATOM 0 HA3 GLY A 76 -40.066 27.964 18.472 1.00 0.57 H new ATOM 1181 N LYS A 77 -42.178 26.551 16.417 1.00 0.54 N ATOM 1182 CA LYS A 77 -43.554 26.047 16.196 1.00 0.56 C ATOM 1183 C LYS A 77 -43.591 24.525 15.938 1.00 0.49 C ATOM 1184 O LYS A 77 -42.709 24.025 15.251 1.00 0.43 O ATOM 1185 CB LYS A 77 -44.103 26.903 15.035 1.00 0.59 C ATOM 1186 CG LYS A 77 -45.470 26.534 14.445 1.00 0.67 C ATOM 1187 CD LYS A 77 -46.017 27.654 13.530 1.00 0.74 C ATOM 1188 CE LYS A 77 -45.029 28.248 12.504 1.00 1.17 C ATOM 1189 NZ LYS A 77 -44.559 27.282 11.480 1.00 1.76 N ATOM 0 H LYS A 77 -41.719 26.794 15.539 1.00 0.54 H new ATOM 0 HA LYS A 77 -44.184 26.151 17.080 1.00 0.56 H new ATOM 0 HB2 LYS A 77 -44.157 27.936 15.380 1.00 0.59 H new ATOM 0 HB3 LYS A 77 -43.373 26.875 14.226 1.00 0.59 H new ATOM 0 HG2 LYS A 77 -45.383 25.608 13.876 1.00 0.67 H new ATOM 0 HG3 LYS A 77 -46.177 26.346 15.253 1.00 0.67 H new ATOM 0 HD2 LYS A 77 -46.877 27.262 12.988 1.00 0.74 H new ATOM 0 HD3 LYS A 77 -46.381 28.464 14.162 1.00 0.74 H new ATOM 0 HE2 LYS A 77 -45.507 29.089 12.001 1.00 1.17 H new ATOM 0 HE3 LYS A 77 -44.165 28.645 13.037 1.00 1.17 H new ATOM 0 HZ1 LYS A 77 -43.521 27.316 11.421 1.00 1.76 H new ATOM 0 HZ2 LYS A 77 -44.859 26.322 11.745 1.00 1.76 H new ATOM 0 HZ3 LYS A 77 -44.967 27.530 10.556 1.00 1.76 H new ATOM 1203 N THR A 78 -44.582 23.764 16.435 1.00 0.50 N ATOM 1204 CA THR A 78 -44.668 22.361 16.247 1.00 0.45 C ATOM 1205 C THR A 78 -45.441 22.045 14.986 1.00 0.44 C ATOM 1206 O THR A 78 -46.511 22.547 14.827 1.00 0.51 O ATOM 1207 CB THR A 78 -45.366 21.747 17.436 1.00 0.50 C ATOM 1208 OG1 THR A 78 -44.840 22.297 18.647 1.00 0.54 O ATOM 1209 CG2 THR A 78 -45.225 20.195 17.356 1.00 0.45 C ATOM 0 H THR A 78 -45.349 24.146 16.988 1.00 0.50 H new ATOM 0 HA THR A 78 -43.663 21.950 16.152 1.00 0.45 H new ATOM 0 HB THR A 78 -46.430 21.982 17.427 1.00 0.50 H new ATOM 0 HG1 THR A 78 -45.298 21.896 19.415 1.00 0.54 H new ATOM 0 HG21 THR A 78 -45.726 19.740 18.210 1.00 0.45 H new ATOM 0 HG22 THR A 78 -45.681 19.835 16.434 1.00 0.45 H new ATOM 0 HG23 THR A 78 -44.169 19.924 17.368 1.00 0.45 H new ATOM 1217 N PHE A 79 -44.806 21.328 14.067 1.00 0.35 N ATOM 1218 CA PHE A 79 -45.486 20.706 12.938 1.00 0.32 C ATOM 1219 C PHE A 79 -45.172 19.216 12.853 1.00 0.30 C ATOM 1220 O PHE A 79 -44.441 18.686 13.687 1.00 0.32 O ATOM 1221 CB PHE A 79 -45.358 21.477 11.605 1.00 0.29 C ATOM 1222 CG PHE A 79 -43.994 21.799 11.006 1.00 0.26 C ATOM 1223 CD1 PHE A 79 -42.781 21.331 11.550 1.00 0.24 C ATOM 1224 CD2 PHE A 79 -43.969 22.508 9.786 1.00 0.27 C ATOM 1225 CE1 PHE A 79 -41.564 21.580 10.885 1.00 0.22 C ATOM 1226 CE2 PHE A 79 -42.755 22.750 9.120 1.00 0.26 C ATOM 1227 CZ PHE A 79 -41.552 22.281 9.667 1.00 0.23 C ATOM 0 H PHE A 79 -43.800 21.161 14.084 1.00 0.35 H new ATOM 0 HA PHE A 79 -46.554 20.778 13.141 1.00 0.32 H new ATOM 0 HB2 PHE A 79 -45.909 20.909 10.855 1.00 0.29 H new ATOM 0 HB3 PHE A 79 -45.880 22.425 11.734 1.00 0.29 H new ATOM 0 HD1 PHE A 79 -42.784 20.780 12.479 1.00 0.24 H new ATOM 0 HD2 PHE A 79 -44.893 22.869 9.359 1.00 0.27 H new ATOM 0 HE1 PHE A 79 -40.636 21.231 11.313 1.00 0.22 H new ATOM 0 HE2 PHE A 79 -42.749 23.296 8.188 1.00 0.26 H new ATOM 0 HZ PHE A 79 -40.619 22.458 9.154 1.00 0.23 H new ATOM 1237 N LYS A 80 -45.874 18.509 11.972 1.00 0.30 N ATOM 1238 CA LYS A 80 -45.922 17.078 11.998 1.00 0.31 C ATOM 1239 C LYS A 80 -45.537 16.467 10.647 1.00 0.27 C ATOM 1240 O LYS A 80 -46.252 16.503 9.641 1.00 0.27 O ATOM 1241 CB LYS A 80 -47.304 16.653 12.464 1.00 0.37 C ATOM 1242 CG LYS A 80 -48.431 17.288 11.582 1.00 0.76 C ATOM 1243 CD LYS A 80 -49.865 17.186 12.105 1.00 0.51 C ATOM 1244 CE LYS A 80 -50.810 17.642 11.028 1.00 1.43 C ATOM 1245 NZ LYS A 80 -52.200 17.781 11.656 1.00 1.96 N ATOM 0 H LYS A 80 -46.423 18.929 11.222 1.00 0.30 H new ATOM 0 HA LYS A 80 -45.181 16.698 12.701 1.00 0.31 H new ATOM 0 HB2 LYS A 80 -47.382 15.566 12.428 1.00 0.37 H new ATOM 0 HB3 LYS A 80 -47.445 16.949 13.504 1.00 0.37 H new ATOM 0 HG2 LYS A 80 -48.196 18.343 11.441 1.00 0.76 H new ATOM 0 HG3 LYS A 80 -48.395 16.820 10.598 1.00 0.76 H new ATOM 0 HD2 LYS A 80 -50.089 16.159 12.393 1.00 0.51 H new ATOM 0 HD3 LYS A 80 -49.985 17.801 12.997 1.00 0.51 H new ATOM 0 HE2 LYS A 80 -50.482 18.594 10.610 1.00 1.43 H new ATOM 0 HE3 LYS A 80 -50.831 16.924 10.208 1.00 1.43 H new ATOM 0 HZ1 LYS A 80 -52.878 18.096 10.933 1.00 1.96 H new ATOM 0 HZ2 LYS A 80 -52.502 16.862 12.037 1.00 1.96 H new ATOM 0 HZ3 LYS A 80 -52.165 18.480 12.426 1.00 1.96 H new ATOM 1259 N ALA A 81 -44.331 16.014 10.495 1.00 0.25 N ATOM 1260 CA ALA A 81 -43.830 15.190 9.405 1.00 0.21 C ATOM 1261 C ALA A 81 -42.965 14.142 9.968 1.00 0.20 C ATOM 1262 O ALA A 81 -42.628 14.174 11.138 1.00 0.22 O ATOM 1263 CB ALA A 81 -43.057 16.067 8.461 1.00 0.19 C ATOM 0 H ALA A 81 -43.602 16.220 11.178 1.00 0.25 H new ATOM 0 HA ALA A 81 -44.648 14.718 8.862 1.00 0.21 H new ATOM 0 HB1 ALA A 81 -42.674 15.465 7.637 1.00 0.19 H new ATOM 0 HB2 ALA A 81 -43.712 16.845 8.068 1.00 0.19 H new ATOM 0 HB3 ALA A 81 -42.224 16.528 8.992 1.00 0.19 H new ATOM 1269 N THR A 82 -42.583 13.195 9.052 1.00 0.19 N ATOM 1270 CA THR A 82 -41.711 12.057 9.442 1.00 0.18 C ATOM 1271 C THR A 82 -40.331 12.407 8.877 1.00 0.16 C ATOM 1272 O THR A 82 -40.122 12.470 7.661 1.00 0.18 O ATOM 1273 CB THR A 82 -42.150 10.814 8.712 1.00 0.23 C ATOM 1274 OG1 THR A 82 -43.490 10.377 9.142 1.00 0.28 O ATOM 1275 CG2 THR A 82 -41.114 9.705 9.109 1.00 0.24 C ATOM 0 H THR A 82 -42.860 13.202 8.070 1.00 0.19 H new ATOM 0 HA THR A 82 -41.733 11.893 10.519 1.00 0.18 H new ATOM 0 HB THR A 82 -42.194 11.000 7.639 1.00 0.23 H new ATOM 0 HG1 THR A 82 -43.745 9.570 8.648 1.00 0.28 H new ATOM 0 HG21 THR A 82 -41.373 8.770 8.612 1.00 0.24 H new ATOM 0 HG22 THR A 82 -40.115 10.014 8.802 1.00 0.24 H new ATOM 0 HG23 THR A 82 -41.133 9.559 10.189 1.00 0.24 H new ATOM 1283 N VAL A 83 -39.432 12.741 9.794 1.00 0.14 N ATOM 1284 CA VAL A 83 -38.015 12.869 9.477 1.00 0.14 C ATOM 1285 C VAL A 83 -37.456 11.533 9.033 1.00 0.15 C ATOM 1286 O VAL A 83 -37.664 10.546 9.729 1.00 0.18 O ATOM 1287 CB VAL A 83 -37.190 13.418 10.649 1.00 0.14 C ATOM 1288 CG1 VAL A 83 -35.800 13.825 10.153 1.00 0.17 C ATOM 1289 CG2 VAL A 83 -37.888 14.596 11.325 1.00 0.17 C ATOM 0 H VAL A 83 -39.661 12.929 10.770 1.00 0.14 H new ATOM 0 HA VAL A 83 -37.938 13.592 8.665 1.00 0.14 H new ATOM 0 HB VAL A 83 -37.090 12.631 11.396 1.00 0.14 H new ATOM 0 HG11 VAL A 83 -35.216 14.215 10.987 1.00 0.17 H new ATOM 0 HG12 VAL A 83 -35.295 12.956 9.731 1.00 0.17 H new ATOM 0 HG13 VAL A 83 -35.898 14.595 9.388 1.00 0.17 H new ATOM 0 HG21 VAL A 83 -37.274 14.958 12.150 1.00 0.17 H new ATOM 0 HG22 VAL A 83 -38.032 15.398 10.601 1.00 0.17 H new ATOM 0 HG23 VAL A 83 -38.857 14.274 11.708 1.00 0.17 H new ATOM 1299 N GLN A 84 -36.669 11.504 7.969 1.00 0.14 N ATOM 1300 CA GLN A 84 -35.976 10.291 7.526 1.00 0.15 C ATOM 1301 C GLN A 84 -34.495 10.585 7.268 1.00 0.15 C ATOM 1302 O GLN A 84 -34.104 11.752 7.252 1.00 0.16 O ATOM 1303 CB GLN A 84 -36.755 9.611 6.380 1.00 0.17 C ATOM 1304 CG GLN A 84 -37.171 10.499 5.186 1.00 0.19 C ATOM 1305 CD GLN A 84 -38.606 10.260 4.727 1.00 0.24 C ATOM 1306 OE1 GLN A 84 -38.890 9.369 3.948 1.00 0.51 O ATOM 1307 NE2 GLN A 84 -39.594 10.696 5.477 1.00 0.52 N ATOM 0 H GLN A 84 -36.488 12.319 7.383 1.00 0.14 H new ATOM 0 HA GLN A 84 -35.962 9.540 8.316 1.00 0.15 H new ATOM 0 HB2 GLN A 84 -36.146 8.793 5.996 1.00 0.17 H new ATOM 0 HB3 GLN A 84 -37.657 9.167 6.801 1.00 0.17 H new ATOM 0 HG2 GLN A 84 -37.056 11.547 5.464 1.00 0.19 H new ATOM 0 HG3 GLN A 84 -36.494 10.314 4.352 1.00 0.19 H new ATOM 0 HE21 GLN A 84 -39.430 11.442 6.153 1.00 0.52 H new ATOM 0 HE22 GLN A 84 -40.524 10.288 5.383 1.00 0.52 H new ATOM 1316 N MET A 85 -33.641 9.561 7.350 1.00 0.16 N ATOM 1317 CA MET A 85 -32.213 9.697 7.049 1.00 0.17 C ATOM 1318 C MET A 85 -31.931 9.125 5.664 1.00 0.20 C ATOM 1319 O MET A 85 -32.050 7.913 5.501 1.00 0.22 O ATOM 1320 CB MET A 85 -31.329 8.982 8.085 1.00 0.21 C ATOM 1321 CG MET A 85 -31.515 9.503 9.508 1.00 0.21 C ATOM 1322 SD MET A 85 -30.120 9.123 10.598 1.00 0.23 S ATOM 1323 CE MET A 85 -29.047 10.538 10.244 1.00 0.19 C ATOM 0 H MET A 85 -33.918 8.619 7.625 1.00 0.16 H new ATOM 0 HA MET A 85 -31.969 10.759 7.083 1.00 0.17 H new ATOM 0 HB2 MET A 85 -31.551 7.915 8.065 1.00 0.21 H new ATOM 0 HB3 MET A 85 -30.283 9.096 7.799 1.00 0.21 H new ATOM 0 HG2 MET A 85 -31.659 10.583 9.476 1.00 0.21 H new ATOM 0 HG3 MET A 85 -32.424 9.073 9.929 1.00 0.21 H new ATOM 0 HE1 MET A 85 -28.021 10.295 10.521 1.00 0.19 H new ATOM 0 HE2 MET A 85 -29.090 10.770 9.180 1.00 0.19 H new ATOM 0 HE3 MET A 85 -29.383 11.402 10.818 1.00 0.19 H new ATOM 1333 N GLU A 86 -31.314 9.902 4.772 1.00 0.26 N ATOM 1334 CA GLU A 86 -30.792 9.330 3.554 1.00 0.31 C ATOM 1335 C GLU A 86 -29.318 9.516 3.460 1.00 0.31 C ATOM 1336 O GLU A 86 -28.818 10.574 3.297 1.00 0.34 O ATOM 1337 CB GLU A 86 -31.490 10.022 2.313 1.00 0.40 C ATOM 1338 CG GLU A 86 -32.942 9.400 2.098 1.00 0.41 C ATOM 1339 CD GLU A 86 -33.575 9.804 0.806 1.00 0.95 C ATOM 1340 OE1 GLU A 86 -32.958 9.564 -0.234 1.00 1.53 O ATOM 1341 OE2 GLU A 86 -34.765 10.224 0.768 1.00 1.35 O ATOM 0 H GLU A 86 -31.171 10.907 4.876 1.00 0.26 H new ATOM 0 HA GLU A 86 -31.001 8.260 3.558 1.00 0.31 H new ATOM 0 HB2 GLU A 86 -31.565 11.097 2.478 1.00 0.40 H new ATOM 0 HB3 GLU A 86 -30.886 9.879 1.417 1.00 0.40 H new ATOM 0 HG2 GLU A 86 -32.873 8.313 2.136 1.00 0.41 H new ATOM 0 HG3 GLU A 86 -33.586 9.707 2.922 1.00 0.41 H new ATOM 1348 N GLY A 87 -28.549 8.424 3.697 1.00 0.36 N ATOM 1349 CA GLY A 87 -27.100 8.464 3.591 1.00 0.43 C ATOM 1350 C GLY A 87 -26.452 9.022 4.785 1.00 0.50 C ATOM 1351 O GLY A 87 -25.244 9.282 4.787 1.00 1.05 O ATOM 0 H GLY A 87 -28.924 7.513 3.962 1.00 0.36 H new ATOM 0 HA2 GLY A 87 -26.726 7.455 3.420 1.00 0.43 H new ATOM 0 HA3 GLY A 87 -26.821 9.059 2.721 1.00 0.43 H new ATOM 1355 N GLY A 88 -27.230 9.183 5.861 1.00 0.30 N ATOM 1356 CA GLY A 88 -26.870 9.954 7.037 1.00 0.25 C ATOM 1357 C GLY A 88 -27.334 11.411 6.996 1.00 0.24 C ATOM 1358 O GLY A 88 -26.852 12.161 7.834 1.00 0.36 O ATOM 0 H GLY A 88 -28.157 8.763 5.931 1.00 0.30 H new ATOM 0 HA2 GLY A 88 -27.296 9.473 7.918 1.00 0.25 H new ATOM 0 HA3 GLY A 88 -25.787 9.932 7.155 1.00 0.25 H new ATOM 1362 N LYS A 89 -28.267 11.821 6.109 1.00 0.19 N ATOM 1363 CA LYS A 89 -28.697 13.168 5.938 1.00 0.18 C ATOM 1364 C LYS A 89 -30.163 13.215 6.310 1.00 0.15 C ATOM 1365 O LYS A 89 -30.916 12.407 5.773 1.00 0.16 O ATOM 1366 CB LYS A 89 -28.667 13.586 4.426 1.00 0.22 C ATOM 1367 CG LYS A 89 -27.322 13.409 3.650 1.00 0.26 C ATOM 1368 CD LYS A 89 -27.489 13.577 2.132 1.00 0.60 C ATOM 1369 CE LYS A 89 -28.186 14.909 1.695 1.00 1.62 C ATOM 1370 NZ LYS A 89 -27.652 15.495 0.445 1.00 2.70 N ATOM 0 H LYS A 89 -28.742 11.172 5.481 1.00 0.19 H new ATOM 0 HA LYS A 89 -28.052 13.814 6.533 1.00 0.18 H new ATOM 0 HB2 LYS A 89 -29.433 13.013 3.904 1.00 0.22 H new ATOM 0 HB3 LYS A 89 -28.955 14.635 4.362 1.00 0.22 H new ATOM 0 HG2 LYS A 89 -26.598 14.137 4.015 1.00 0.26 H new ATOM 0 HG3 LYS A 89 -26.913 12.421 3.860 1.00 0.26 H new ATOM 0 HD2 LYS A 89 -26.506 13.527 1.664 1.00 0.60 H new ATOM 0 HD3 LYS A 89 -28.068 12.737 1.748 1.00 0.60 H new ATOM 0 HE2 LYS A 89 -29.252 14.723 1.568 1.00 1.62 H new ATOM 0 HE3 LYS A 89 -28.083 15.639 2.498 1.00 1.62 H new ATOM 0 HZ1 LYS A 89 -27.974 16.480 0.358 1.00 2.70 H new ATOM 0 HZ2 LYS A 89 -26.612 15.472 0.467 1.00 2.70 H new ATOM 0 HZ3 LYS A 89 -27.993 14.946 -0.369 1.00 2.70 H new ATOM 1384 N LEU A 90 -30.639 14.175 7.099 1.00 0.16 N ATOM 1385 CA LEU A 90 -31.959 14.253 7.675 1.00 0.15 C ATOM 1386 C LEU A 90 -32.815 15.122 6.891 1.00 0.15 C ATOM 1387 O LEU A 90 -32.483 16.234 6.396 1.00 0.19 O ATOM 1388 CB LEU A 90 -31.959 14.796 9.094 1.00 0.18 C ATOM 1389 CG LEU A 90 -31.280 13.957 10.187 1.00 0.19 C ATOM 1390 CD1 LEU A 90 -30.615 14.906 11.228 1.00 0.23 C ATOM 1391 CD2 LEU A 90 -32.299 12.977 10.749 1.00 0.18 C ATOM 0 H LEU A 90 -30.062 14.972 7.366 1.00 0.16 H new ATOM 0 HA LEU A 90 -32.328 13.227 7.682 1.00 0.15 H new ATOM 0 HB2 LEU A 90 -31.479 15.774 9.077 1.00 0.18 H new ATOM 0 HB3 LEU A 90 -32.996 14.955 9.391 1.00 0.18 H new ATOM 0 HG LEU A 90 -30.464 13.348 9.798 1.00 0.19 H new ATOM 0 HD11 LEU A 90 -30.132 14.313 12.005 1.00 0.23 H new ATOM 0 HD12 LEU A 90 -29.870 15.527 10.730 1.00 0.23 H new ATOM 0 HD13 LEU A 90 -31.376 15.543 11.678 1.00 0.23 H new ATOM 0 HD21 LEU A 90 -31.832 12.373 11.527 1.00 0.18 H new ATOM 0 HD22 LEU A 90 -33.139 13.528 11.172 1.00 0.18 H new ATOM 0 HD23 LEU A 90 -32.657 12.327 9.951 1.00 0.18 H new ATOM 1403 N VAL A 91 -33.987 14.559 6.599 1.00 0.15 N ATOM 1404 CA VAL A 91 -34.923 15.052 5.591 1.00 0.16 C ATOM 1405 C VAL A 91 -36.387 15.064 6.061 1.00 0.16 C ATOM 1406 O VAL A 91 -36.923 14.024 6.491 1.00 0.17 O ATOM 1407 CB VAL A 91 -34.871 14.431 4.202 1.00 0.18 C ATOM 1408 CG1 VAL A 91 -34.500 12.918 4.277 1.00 0.23 C ATOM 1409 CG2 VAL A 91 -36.191 14.507 3.396 1.00 0.23 C ATOM 0 H VAL A 91 -34.321 13.720 7.073 1.00 0.15 H new ATOM 0 HA VAL A 91 -34.541 16.067 5.477 1.00 0.16 H new ATOM 0 HB VAL A 91 -34.116 15.028 3.690 1.00 0.18 H new ATOM 0 HG11 VAL A 91 -34.470 12.500 3.271 1.00 0.23 H new ATOM 0 HG12 VAL A 91 -33.522 12.806 4.746 1.00 0.23 H new ATOM 0 HG13 VAL A 91 -35.248 12.389 4.867 1.00 0.23 H new ATOM 0 HG21 VAL A 91 -36.050 14.038 2.422 1.00 0.23 H new ATOM 0 HG22 VAL A 91 -36.979 13.986 3.939 1.00 0.23 H new ATOM 0 HG23 VAL A 91 -36.474 15.551 3.259 1.00 0.23 H new ATOM 1419 N VAL A 92 -37.175 16.109 5.752 1.00 0.16 N ATOM 1420 CA VAL A 92 -38.662 16.017 5.663 1.00 0.17 C ATOM 1421 C VAL A 92 -39.179 16.196 4.239 1.00 0.17 C ATOM 1422 O VAL A 92 -38.539 16.787 3.360 1.00 0.18 O ATOM 1423 CB VAL A 92 -39.403 17.031 6.559 1.00 0.18 C ATOM 1424 CG1 VAL A 92 -39.396 16.490 7.975 1.00 0.56 C ATOM 1425 CG2 VAL A 92 -38.850 18.458 6.504 1.00 0.65 C ATOM 0 H VAL A 92 -36.811 17.042 5.556 1.00 0.16 H new ATOM 0 HA VAL A 92 -38.876 15.008 6.017 1.00 0.17 H new ATOM 0 HB VAL A 92 -40.419 17.130 6.178 1.00 0.18 H new ATOM 0 HG11 VAL A 92 -39.914 17.187 8.633 1.00 0.56 H new ATOM 0 HG12 VAL A 92 -39.902 15.525 7.998 1.00 0.56 H new ATOM 0 HG13 VAL A 92 -38.367 16.368 8.313 1.00 0.56 H new ATOM 0 HG21 VAL A 92 -39.433 19.100 7.165 1.00 0.65 H new ATOM 0 HG22 VAL A 92 -37.808 18.457 6.825 1.00 0.65 H new ATOM 0 HG23 VAL A 92 -38.915 18.834 5.483 1.00 0.65 H new ATOM 1435 N ASN A 93 -40.446 15.814 4.086 1.00 0.20 N ATOM 1436 CA ASN A 93 -41.361 16.180 3.017 1.00 0.21 C ATOM 1437 C ASN A 93 -42.738 16.592 3.595 1.00 0.22 C ATOM 1438 O ASN A 93 -43.119 16.183 4.689 1.00 0.34 O ATOM 1439 CB ASN A 93 -41.423 15.038 1.981 1.00 0.30 C ATOM 1440 CG ASN A 93 -41.502 13.652 2.614 1.00 1.07 C ATOM 1441 OD1 ASN A 93 -42.428 13.331 3.333 1.00 1.89 O ATOM 1442 ND2 ASN A 93 -40.547 12.785 2.363 1.00 1.06 N ATOM 0 H ASN A 93 -40.890 15.192 4.762 1.00 0.20 H new ATOM 0 HA ASN A 93 -40.997 17.060 2.487 1.00 0.21 H new ATOM 0 HB2 ASN A 93 -42.291 15.186 1.339 1.00 0.30 H new ATOM 0 HB3 ASN A 93 -40.541 15.088 1.342 1.00 0.30 H new ATOM 0 HD21 ASN A 93 -40.586 11.851 2.770 1.00 1.06 H new ATOM 0 HD22 ASN A 93 -39.766 13.046 1.761 1.00 1.06 H new ATOM 1449 N PHE A 94 -43.410 17.501 2.891 1.00 0.17 N ATOM 1450 CA PHE A 94 -44.709 18.132 3.146 1.00 0.19 C ATOM 1451 C PHE A 94 -45.355 18.536 1.802 1.00 0.22 C ATOM 1452 O PHE A 94 -44.625 18.650 0.816 1.00 0.26 O ATOM 1453 CB PHE A 94 -44.566 19.384 4.038 1.00 0.20 C ATOM 1454 CG PHE A 94 -44.213 19.216 5.504 1.00 0.19 C ATOM 1455 CD1 PHE A 94 -45.240 19.099 6.461 1.00 0.21 C ATOM 1456 CD2 PHE A 94 -42.880 19.359 5.929 1.00 0.17 C ATOM 1457 CE1 PHE A 94 -44.940 19.153 7.834 1.00 0.21 C ATOM 1458 CE2 PHE A 94 -42.582 19.420 7.303 1.00 0.17 C ATOM 1459 CZ PHE A 94 -43.612 19.333 8.256 1.00 0.20 C ATOM 0 H PHE A 94 -43.010 17.857 2.023 1.00 0.17 H new ATOM 0 HA PHE A 94 -45.338 17.411 3.669 1.00 0.19 H new ATOM 0 HB2 PHE A 94 -43.804 20.021 3.589 1.00 0.20 H new ATOM 0 HB3 PHE A 94 -45.508 19.931 3.989 1.00 0.20 H new ATOM 0 HD1 PHE A 94 -46.262 18.967 6.139 1.00 0.21 H new ATOM 0 HD2 PHE A 94 -42.085 19.422 5.201 1.00 0.17 H new ATOM 0 HE1 PHE A 94 -45.730 19.056 8.564 1.00 0.21 H new ATOM 0 HE2 PHE A 94 -41.558 19.534 7.627 1.00 0.17 H new ATOM 0 HZ PHE A 94 -43.383 19.404 9.309 1.00 0.20 H new ATOM 1469 N PRO A 95 -46.637 18.956 1.755 1.00 0.25 N ATOM 1470 CA PRO A 95 -47.279 19.404 0.512 1.00 0.29 C ATOM 1471 C PRO A 95 -46.646 20.608 -0.216 1.00 0.30 C ATOM 1472 O PRO A 95 -46.910 20.774 -1.403 1.00 0.46 O ATOM 1473 CB PRO A 95 -48.740 19.669 0.885 1.00 0.38 C ATOM 1474 CG PRO A 95 -48.982 18.666 2.010 1.00 0.44 C ATOM 1475 CD PRO A 95 -47.656 18.702 2.766 1.00 0.32 C ATOM 0 HA PRO A 95 -47.150 18.620 -0.235 1.00 0.29 H new ATOM 0 HB2 PRO A 95 -48.894 20.696 1.217 1.00 0.38 H new ATOM 0 HB3 PRO A 95 -49.411 19.503 0.042 1.00 0.38 H new ATOM 0 HG2 PRO A 95 -49.820 18.959 2.643 1.00 0.44 H new ATOM 0 HG3 PRO A 95 -49.205 17.670 1.627 1.00 0.44 H new ATOM 0 HD2 PRO A 95 -47.659 19.484 3.525 1.00 0.32 H new ATOM 0 HD3 PRO A 95 -47.472 17.759 3.280 1.00 0.32 H new ATOM 1483 N ASN A 96 -45.865 21.446 0.459 1.00 0.33 N ATOM 1484 CA ASN A 96 -45.056 22.478 -0.193 1.00 0.45 C ATOM 1485 C ASN A 96 -43.598 22.470 0.284 1.00 0.50 C ATOM 1486 O ASN A 96 -42.731 22.981 -0.420 1.00 0.90 O ATOM 1487 CB ASN A 96 -45.717 23.856 0.003 1.00 0.63 C ATOM 1488 CG ASN A 96 -45.718 24.352 1.442 1.00 0.86 C ATOM 1489 OD1 ASN A 96 -45.636 23.598 2.401 1.00 1.89 O ATOM 1490 ND2 ASN A 96 -45.850 25.641 1.642 1.00 0.77 N ATOM 0 H ASN A 96 -45.773 21.431 1.475 1.00 0.33 H new ATOM 0 HA ASN A 96 -45.019 22.255 -1.259 1.00 0.45 H new ATOM 0 HB2 ASN A 96 -45.200 24.586 -0.620 1.00 0.63 H new ATOM 0 HB3 ASN A 96 -46.746 23.806 -0.352 1.00 0.63 H new ATOM 0 HD21 ASN A 96 -45.884 26.009 2.593 1.00 0.77 H new ATOM 0 HD22 ASN A 96 -45.919 26.276 0.847 1.00 0.77 H new ATOM 1497 N TYR A 97 -43.325 21.961 1.486 1.00 0.26 N ATOM 1498 CA TYR A 97 -41.989 21.994 2.110 1.00 0.23 C ATOM 1499 C TYR A 97 -41.181 20.682 2.026 1.00 0.20 C ATOM 1500 O TYR A 97 -41.708 19.609 2.303 1.00 0.22 O ATOM 1501 CB TYR A 97 -42.065 22.591 3.526 1.00 0.24 C ATOM 1502 CG TYR A 97 -40.719 22.705 4.212 1.00 0.22 C ATOM 1503 CD1 TYR A 97 -39.738 23.486 3.589 1.00 0.19 C ATOM 1504 CD2 TYR A 97 -40.449 22.116 5.466 1.00 0.26 C ATOM 1505 CE1 TYR A 97 -38.491 23.689 4.186 1.00 0.19 C ATOM 1506 CE2 TYR A 97 -39.196 22.332 6.081 1.00 0.27 C ATOM 1507 CZ TYR A 97 -38.220 23.129 5.442 1.00 0.23 C ATOM 1508 OH TYR A 97 -37.032 23.403 6.030 1.00 0.26 O ATOM 0 H TYR A 97 -44.030 21.507 2.066 1.00 0.26 H new ATOM 0 HA TYR A 97 -41.390 22.666 1.496 1.00 0.23 H new ATOM 0 HB2 TYR A 97 -42.519 23.580 3.470 1.00 0.24 H new ATOM 0 HB3 TYR A 97 -42.723 21.973 4.137 1.00 0.24 H new ATOM 0 HD1 TYR A 97 -39.949 23.939 2.631 1.00 0.19 H new ATOM 0 HD2 TYR A 97 -41.195 21.505 5.952 1.00 0.26 H new ATOM 0 HE1 TYR A 97 -37.738 24.276 3.681 1.00 0.19 H new ATOM 0 HE2 TYR A 97 -38.984 21.887 7.042 1.00 0.27 H new ATOM 0 HH TYR A 97 -36.345 23.519 5.341 1.00 0.26 H new ATOM 1518 N HIS A 98 -39.871 20.757 1.771 1.00 0.18 N ATOM 1519 CA HIS A 98 -38.880 19.666 1.829 1.00 0.18 C ATOM 1520 C HIS A 98 -37.520 20.240 2.256 1.00 0.19 C ATOM 1521 O HIS A 98 -37.264 21.395 1.973 1.00 0.18 O ATOM 1522 CB HIS A 98 -38.794 18.962 0.454 1.00 0.21 C ATOM 1523 CG HIS A 98 -37.527 18.155 0.238 1.00 0.25 C ATOM 1524 ND1 HIS A 98 -37.162 17.009 0.925 1.00 0.31 N ATOM 1525 CD2 HIS A 98 -36.487 18.488 -0.591 1.00 0.27 C ATOM 1526 CE1 HIS A 98 -35.904 16.684 0.557 1.00 0.36 C ATOM 1527 NE2 HIS A 98 -35.475 17.570 -0.364 1.00 0.34 N ATOM 0 H HIS A 98 -39.440 21.641 1.499 1.00 0.18 H new ATOM 0 HA HIS A 98 -39.184 18.921 2.565 1.00 0.18 H new ATOM 0 HB2 HIS A 98 -39.654 18.301 0.344 1.00 0.21 H new ATOM 0 HB3 HIS A 98 -38.868 19.715 -0.331 1.00 0.21 H new ATOM 0 HD1 HIS A 98 -37.742 16.500 1.592 1.00 0.31 H new ATOM 0 HD2 HIS A 98 -36.462 19.311 -1.290 1.00 0.27 H new ATOM 0 HE1 HIS A 98 -35.334 15.850 0.939 1.00 0.36 H new ATOM 1535 N GLN A 99 -36.654 19.468 2.913 1.00 0.22 N ATOM 1536 CA GLN A 99 -35.259 19.878 3.116 1.00 0.29 C ATOM 1537 C GLN A 99 -34.293 18.707 3.322 1.00 0.20 C ATOM 1538 O GLN A 99 -34.695 17.554 3.144 1.00 0.26 O ATOM 1539 CB GLN A 99 -35.177 20.925 4.231 1.00 0.55 C ATOM 1540 CG GLN A 99 -35.517 20.557 5.676 1.00 0.55 C ATOM 1541 CD GLN A 99 -34.812 19.346 6.264 1.00 0.64 C ATOM 1542 OE1 GLN A 99 -35.355 18.257 6.215 1.00 1.48 O ATOM 1543 NE2 GLN A 99 -33.515 19.398 6.455 1.00 0.42 N ATOM 0 H GLN A 99 -36.889 18.560 3.313 1.00 0.22 H new ATOM 0 HA GLN A 99 -34.918 20.339 2.189 1.00 0.29 H new ATOM 0 HB2 GLN A 99 -34.159 21.314 4.231 1.00 0.55 H new ATOM 0 HB3 GLN A 99 -35.833 21.748 3.947 1.00 0.55 H new ATOM 0 HG2 GLN A 99 -35.294 21.418 6.306 1.00 0.55 H new ATOM 0 HG3 GLN A 99 -36.592 20.387 5.738 1.00 0.55 H new ATOM 0 HE21 GLN A 99 -33.042 20.301 6.499 1.00 0.42 H new ATOM 0 HE22 GLN A 99 -32.980 18.536 6.559 1.00 0.42 H new ATOM 1552 N THR A 100 -33.006 19.014 3.526 1.00 0.22 N ATOM 1553 CA THR A 100 -31.932 18.012 3.581 1.00 0.21 C ATOM 1554 C THR A 100 -30.736 18.542 4.391 1.00 0.24 C ATOM 1555 O THR A 100 -29.986 19.387 3.905 1.00 0.40 O ATOM 1556 CB THR A 100 -31.458 17.614 2.157 1.00 0.22 C ATOM 1557 OG1 THR A 100 -32.118 18.322 1.119 1.00 0.26 O ATOM 1558 CG2 THR A 100 -31.727 16.131 1.901 1.00 0.21 C ATOM 0 H THR A 100 -32.678 19.971 3.658 1.00 0.22 H new ATOM 0 HA THR A 100 -32.336 17.127 4.073 1.00 0.21 H new ATOM 0 HB THR A 100 -30.395 17.855 2.136 1.00 0.22 H new ATOM 0 HG1 THR A 100 -32.074 19.284 1.300 1.00 0.26 H new ATOM 0 HG21 THR A 100 -31.389 15.868 0.899 1.00 0.21 H new ATOM 0 HG22 THR A 100 -31.188 15.532 2.635 1.00 0.21 H new ATOM 0 HG23 THR A 100 -32.796 15.935 1.987 1.00 0.21 H new ATOM 1566 N SER A 101 -30.525 17.991 5.592 1.00 0.21 N ATOM 1567 CA SER A 101 -29.431 18.297 6.446 1.00 0.27 C ATOM 1568 C SER A 101 -28.129 17.452 6.229 1.00 0.27 C ATOM 1569 O SER A 101 -28.175 16.232 6.361 1.00 0.46 O ATOM 1570 CB SER A 101 -29.843 18.043 7.913 1.00 0.42 C ATOM 1571 OG SER A 101 -31.000 18.759 8.255 1.00 1.24 O ATOM 0 H SER A 101 -31.154 17.293 5.989 1.00 0.21 H new ATOM 0 HA SER A 101 -29.199 19.335 6.208 1.00 0.27 H new ATOM 0 HB2 SER A 101 -30.016 16.977 8.064 1.00 0.42 H new ATOM 0 HB3 SER A 101 -29.027 18.331 8.576 1.00 0.42 H new ATOM 0 HG SER A 101 -30.992 19.629 7.803 1.00 1.24 H new ATOM 1577 N GLU A 102 -26.934 17.997 5.962 1.00 0.22 N ATOM 1578 CA GLU A 102 -25.756 17.127 5.675 1.00 0.27 C ATOM 1579 C GLU A 102 -24.390 17.636 6.150 1.00 0.20 C ATOM 1580 O GLU A 102 -24.183 18.830 6.347 1.00 0.20 O ATOM 1581 CB GLU A 102 -25.712 16.738 4.191 1.00 0.43 C ATOM 1582 CG GLU A 102 -25.313 17.810 3.168 1.00 0.81 C ATOM 1583 CD GLU A 102 -25.467 17.280 1.732 1.00 1.25 C ATOM 1584 OE1 GLU A 102 -25.204 16.071 1.530 1.00 1.67 O ATOM 1585 OE2 GLU A 102 -25.844 18.059 0.824 1.00 1.55 O ATOM 0 H GLU A 102 -26.747 18.999 5.936 1.00 0.22 H new ATOM 0 HA GLU A 102 -25.929 16.246 6.294 1.00 0.27 H new ATOM 0 HB2 GLU A 102 -25.018 15.904 4.087 1.00 0.43 H new ATOM 0 HB3 GLU A 102 -26.699 16.367 3.915 1.00 0.43 H new ATOM 0 HG2 GLU A 102 -25.934 18.696 3.302 1.00 0.81 H new ATOM 0 HG3 GLU A 102 -24.281 18.116 3.339 1.00 0.81 H new ATOM 1592 N ILE A 103 -23.426 16.741 6.381 1.00 0.19 N ATOM 1593 CA ILE A 103 -22.028 17.101 6.695 1.00 0.21 C ATOM 1594 C ILE A 103 -21.262 17.264 5.385 1.00 0.26 C ATOM 1595 O ILE A 103 -21.231 16.293 4.628 1.00 0.28 O ATOM 1596 CB ILE A 103 -21.355 16.027 7.598 1.00 0.23 C ATOM 1597 CG1 ILE A 103 -22.296 15.504 8.714 1.00 0.22 C ATOM 1598 CG2 ILE A 103 -20.027 16.570 8.161 1.00 0.27 C ATOM 1599 CD1 ILE A 103 -21.645 14.579 9.751 1.00 0.21 C ATOM 0 H ILE A 103 -23.589 15.734 6.357 1.00 0.19 H new ATOM 0 HA ILE A 103 -22.014 18.038 7.251 1.00 0.21 H new ATOM 0 HB ILE A 103 -21.136 15.159 6.976 1.00 0.23 H new ATOM 0 HG12 ILE A 103 -22.723 16.361 9.235 1.00 0.22 H new ATOM 0 HG13 ILE A 103 -23.123 14.970 8.246 1.00 0.22 H new ATOM 0 HG21 ILE A 103 -19.562 15.812 8.792 1.00 0.27 H new ATOM 0 HG22 ILE A 103 -19.357 16.817 7.338 1.00 0.27 H new ATOM 0 HG23 ILE A 103 -20.221 17.465 8.752 1.00 0.27 H new ATOM 0 HD11 ILE A 103 -22.391 14.272 10.484 1.00 0.21 H new ATOM 0 HD12 ILE A 103 -21.244 13.697 9.251 1.00 0.21 H new ATOM 0 HD13 ILE A 103 -20.837 15.109 10.255 1.00 0.21 H new ATOM 1611 N VAL A 104 -20.407 18.296 5.248 1.00 0.32 N ATOM 1612 CA VAL A 104 -19.344 18.182 4.314 1.00 0.41 C ATOM 1613 C VAL A 104 -18.060 18.434 5.069 1.00 0.48 C ATOM 1614 O VAL A 104 -17.710 19.548 5.391 1.00 0.47 O ATOM 1615 CB VAL A 104 -19.485 19.219 3.184 1.00 0.47 C ATOM 1616 CG1 VAL A 104 -18.284 19.061 2.206 1.00 0.60 C ATOM 1617 CG2 VAL A 104 -20.820 19.125 2.403 1.00 0.45 C ATOM 0 H VAL A 104 -20.452 19.174 5.765 1.00 0.32 H new ATOM 0 HA VAL A 104 -19.354 17.192 3.858 1.00 0.41 H new ATOM 0 HB VAL A 104 -19.487 20.203 3.653 1.00 0.47 H new ATOM 0 HG11 VAL A 104 -18.372 19.790 1.401 1.00 0.60 H new ATOM 0 HG12 VAL A 104 -17.351 19.227 2.745 1.00 0.60 H new ATOM 0 HG13 VAL A 104 -18.286 18.055 1.786 1.00 0.60 H new ATOM 0 HG21 VAL A 104 -20.841 19.888 1.625 1.00 0.45 H new ATOM 0 HG22 VAL A 104 -20.906 18.139 1.946 1.00 0.45 H new ATOM 0 HG23 VAL A 104 -21.654 19.281 3.088 1.00 0.45 H new ATOM 1627 N GLY A 105 -17.173 17.422 5.248 1.00 0.56 N ATOM 1628 CA GLY A 105 -15.823 17.623 5.800 1.00 0.63 C ATOM 1629 C GLY A 105 -15.758 18.097 7.247 1.00 0.59 C ATOM 1630 O GLY A 105 -15.912 17.332 8.202 1.00 0.68 O ATOM 0 H GLY A 105 -17.379 16.451 5.013 1.00 0.56 H new ATOM 0 HA2 GLY A 105 -15.276 16.684 5.721 1.00 0.63 H new ATOM 0 HA3 GLY A 105 -15.301 18.349 5.177 1.00 0.63 H new ATOM 1634 N ASP A 106 -15.383 19.354 7.503 1.00 0.52 N ATOM 1635 CA ASP A 106 -15.412 19.902 8.881 1.00 0.50 C ATOM 1636 C ASP A 106 -16.680 20.743 9.162 1.00 0.40 C ATOM 1637 O ASP A 106 -16.870 21.274 10.253 1.00 0.44 O ATOM 1638 CB ASP A 106 -14.087 20.610 9.183 1.00 0.58 C ATOM 1639 CG ASP A 106 -13.985 21.145 10.615 1.00 1.53 C ATOM 1640 OD1 ASP A 106 -14.146 20.371 11.577 1.00 2.30 O ATOM 1641 OD2 ASP A 106 -13.616 22.336 10.743 1.00 2.11 O ATOM 0 H ASP A 106 -15.059 20.010 6.793 1.00 0.52 H new ATOM 0 HA ASP A 106 -15.496 19.080 9.592 1.00 0.50 H new ATOM 0 HB2 ASP A 106 -13.266 19.916 9.005 1.00 0.58 H new ATOM 0 HB3 ASP A 106 -13.961 21.438 8.486 1.00 0.58 H new ATOM 1646 N LYS A 107 -17.534 20.957 8.150 1.00 0.32 N ATOM 1647 CA LYS A 107 -18.619 21.880 8.150 1.00 0.25 C ATOM 1648 C LYS A 107 -19.974 21.360 7.650 1.00 0.23 C ATOM 1649 O LYS A 107 -20.090 20.504 6.789 1.00 0.30 O ATOM 1650 CB LYS A 107 -18.275 23.009 7.177 1.00 0.28 C ATOM 1651 CG LYS A 107 -16.851 23.556 7.113 1.00 0.47 C ATOM 1652 CD LYS A 107 -16.275 24.074 8.465 1.00 1.21 C ATOM 1653 CE LYS A 107 -14.789 24.417 8.346 1.00 1.65 C ATOM 1654 NZ LYS A 107 -14.070 24.705 9.624 1.00 2.27 N ATOM 0 H LYS A 107 -17.459 20.448 7.270 1.00 0.32 H new ATOM 0 HA LYS A 107 -18.732 22.151 9.200 1.00 0.25 H new ATOM 0 HB2 LYS A 107 -18.535 22.664 6.176 1.00 0.28 H new ATOM 0 HB3 LYS A 107 -18.934 23.847 7.407 1.00 0.28 H new ATOM 0 HG2 LYS A 107 -16.195 22.772 6.734 1.00 0.47 H new ATOM 0 HG3 LYS A 107 -16.825 24.371 6.390 1.00 0.47 H new ATOM 0 HD2 LYS A 107 -16.829 24.957 8.783 1.00 1.21 H new ATOM 0 HD3 LYS A 107 -16.414 23.316 9.235 1.00 1.21 H new ATOM 0 HE2 LYS A 107 -14.285 23.587 7.850 1.00 1.65 H new ATOM 0 HE3 LYS A 107 -14.690 25.285 7.695 1.00 1.65 H new ATOM 0 HZ1 LYS A 107 -13.139 25.118 9.413 1.00 2.27 H new ATOM 0 HZ2 LYS A 107 -14.626 25.376 10.191 1.00 2.27 H new ATOM 0 HZ3 LYS A 107 -13.944 23.822 10.158 1.00 2.27 H new ATOM 1668 N LEU A 108 -21.071 21.898 8.135 1.00 0.20 N ATOM 1669 CA LEU A 108 -22.390 21.358 8.055 1.00 0.19 C ATOM 1670 C LEU A 108 -23.227 22.177 7.139 1.00 0.20 C ATOM 1671 O LEU A 108 -23.395 23.359 7.391 1.00 0.24 O ATOM 1672 CB LEU A 108 -23.101 21.448 9.467 1.00 0.22 C ATOM 1673 CG LEU A 108 -22.818 20.183 10.241 1.00 0.29 C ATOM 1674 CD1 LEU A 108 -23.526 18.895 9.719 1.00 0.57 C ATOM 1675 CD2 LEU A 108 -21.322 19.811 10.465 1.00 0.60 C ATOM 0 H LEU A 108 -21.052 22.790 8.630 1.00 0.20 H new ATOM 0 HA LEU A 108 -22.298 20.329 7.709 1.00 0.19 H new ATOM 0 HB2 LEU A 108 -22.737 22.316 10.017 1.00 0.22 H new ATOM 0 HB3 LEU A 108 -24.176 21.579 9.340 1.00 0.22 H new ATOM 0 HG LEU A 108 -23.250 20.490 11.194 1.00 0.29 H new ATOM 0 HD11 LEU A 108 -23.252 18.049 10.349 1.00 0.57 H new ATOM 0 HD12 LEU A 108 -24.606 19.036 9.750 1.00 0.57 H new ATOM 0 HD13 LEU A 108 -23.215 18.700 8.693 1.00 0.57 H new ATOM 0 HD21 LEU A 108 -21.259 18.883 11.033 1.00 0.60 H new ATOM 0 HD22 LEU A 108 -20.831 19.680 9.501 1.00 0.60 H new ATOM 0 HD23 LEU A 108 -20.827 20.609 11.018 1.00 0.60 H new ATOM 1687 N VAL A 109 -23.684 21.580 6.044 1.00 0.20 N ATOM 1688 CA VAL A 109 -24.447 22.222 4.975 1.00 0.22 C ATOM 1689 C VAL A 109 -25.912 21.832 5.047 1.00 0.22 C ATOM 1690 O VAL A 109 -26.238 20.657 5.192 1.00 0.29 O ATOM 1691 CB VAL A 109 -23.853 21.927 3.581 1.00 0.26 C ATOM 1692 CG1 VAL A 109 -24.435 22.870 2.521 1.00 0.80 C ATOM 1693 CG2 VAL A 109 -22.322 22.065 3.573 1.00 0.87 C ATOM 0 H VAL A 109 -23.526 20.588 5.867 1.00 0.20 H new ATOM 0 HA VAL A 109 -24.376 23.299 5.126 1.00 0.22 H new ATOM 0 HB VAL A 109 -24.119 20.897 3.344 1.00 0.26 H new ATOM 0 HG11 VAL A 109 -23.998 22.639 1.549 1.00 0.80 H new ATOM 0 HG12 VAL A 109 -25.516 22.740 2.473 1.00 0.80 H new ATOM 0 HG13 VAL A 109 -24.205 23.902 2.786 1.00 0.80 H new ATOM 0 HG21 VAL A 109 -21.942 21.849 2.574 1.00 0.87 H new ATOM 0 HG22 VAL A 109 -22.047 23.082 3.854 1.00 0.87 H new ATOM 0 HG23 VAL A 109 -21.890 21.362 4.285 1.00 0.87 H new ATOM 1703 N GLU A 110 -26.812 22.801 4.967 1.00 0.22 N ATOM 1704 CA GLU A 110 -28.179 22.593 4.812 1.00 0.25 C ATOM 1705 C GLU A 110 -28.538 22.914 3.361 1.00 0.28 C ATOM 1706 O GLU A 110 -28.091 23.895 2.791 1.00 0.52 O ATOM 1707 CB GLU A 110 -29.067 23.412 5.791 1.00 0.38 C ATOM 1708 CG GLU A 110 -30.613 23.280 5.695 1.00 0.52 C ATOM 1709 CD GLU A 110 -31.159 21.869 5.958 1.00 1.43 C ATOM 1710 OE1 GLU A 110 -30.625 21.133 6.800 1.00 2.06 O ATOM 1711 OE2 GLU A 110 -32.220 21.652 5.364 1.00 2.07 O ATOM 0 H GLU A 110 -26.560 23.788 5.014 1.00 0.22 H new ATOM 0 HA GLU A 110 -28.387 21.551 5.057 1.00 0.25 H new ATOM 0 HB2 GLU A 110 -28.776 23.140 6.806 1.00 0.38 H new ATOM 0 HB3 GLU A 110 -28.818 24.465 5.659 1.00 0.38 H new ATOM 0 HG2 GLU A 110 -31.067 23.968 6.408 1.00 0.52 H new ATOM 0 HG3 GLU A 110 -30.929 23.597 4.701 1.00 0.52 H new ATOM 1718 N VAL A 111 -29.459 22.137 2.777 1.00 0.23 N ATOM 1719 CA VAL A 111 -30.106 22.459 1.494 1.00 0.21 C ATOM 1720 C VAL A 111 -31.612 22.189 1.525 1.00 0.20 C ATOM 1721 O VAL A 111 -32.073 21.071 1.766 1.00 0.24 O ATOM 1722 CB VAL A 111 -29.352 21.848 0.295 1.00 0.24 C ATOM 1723 CG1 VAL A 111 -29.482 20.326 0.170 1.00 0.27 C ATOM 1724 CG2 VAL A 111 -29.837 22.480 -1.017 1.00 0.25 C ATOM 0 H VAL A 111 -29.781 21.259 3.184 1.00 0.23 H new ATOM 0 HA VAL A 111 -30.030 23.535 1.339 1.00 0.21 H new ATOM 0 HB VAL A 111 -28.301 22.067 0.483 1.00 0.24 H new ATOM 0 HG11 VAL A 111 -28.921 19.983 -0.699 1.00 0.27 H new ATOM 0 HG12 VAL A 111 -29.085 19.852 1.068 1.00 0.27 H new ATOM 0 HG13 VAL A 111 -30.532 20.059 0.052 1.00 0.27 H new ATOM 0 HG21 VAL A 111 -29.296 22.039 -1.855 1.00 0.25 H new ATOM 0 HG22 VAL A 111 -30.905 22.296 -1.137 1.00 0.25 H new ATOM 0 HG23 VAL A 111 -29.655 23.554 -0.992 1.00 0.25 H new ATOM 1734 N SER A 112 -32.401 23.254 1.377 1.00 0.19 N ATOM 1735 CA SER A 112 -33.782 23.358 1.906 1.00 0.20 C ATOM 1736 C SER A 112 -34.781 23.895 0.847 1.00 0.17 C ATOM 1737 O SER A 112 -34.379 24.734 0.052 1.00 0.17 O ATOM 1738 CB SER A 112 -33.680 24.291 3.130 1.00 0.27 C ATOM 1739 OG SER A 112 -34.519 23.912 4.201 1.00 0.87 O ATOM 0 H SER A 112 -32.102 24.091 0.877 1.00 0.19 H new ATOM 0 HA SER A 112 -34.175 22.379 2.179 1.00 0.20 H new ATOM 0 HB2 SER A 112 -32.647 24.309 3.477 1.00 0.27 H new ATOM 0 HB3 SER A 112 -33.931 25.307 2.824 1.00 0.27 H new ATOM 0 HG SER A 112 -34.406 24.541 4.944 1.00 0.87 H new ATOM 1745 N THR A 113 -36.062 23.460 0.776 1.00 0.17 N ATOM 1746 CA THR A 113 -36.994 23.767 -0.307 1.00 0.15 C ATOM 1747 C THR A 113 -38.437 24.092 0.063 1.00 0.13 C ATOM 1748 O THR A 113 -39.113 23.149 0.547 1.00 0.14 O ATOM 1749 CB THR A 113 -37.033 22.685 -1.400 1.00 0.19 C ATOM 1750 OG1 THR A 113 -35.706 22.330 -1.811 1.00 0.26 O ATOM 1751 CG2 THR A 113 -37.774 23.096 -2.660 1.00 0.17 C ATOM 0 H THR A 113 -36.476 22.869 1.497 1.00 0.17 H new ATOM 0 HA THR A 113 -36.551 24.695 -0.669 1.00 0.15 H new ATOM 0 HB THR A 113 -37.563 21.853 -0.935 1.00 0.19 H new ATOM 0 HG1 THR A 113 -35.752 21.640 -2.505 1.00 0.26 H new ATOM 0 HG21 THR A 113 -37.754 22.276 -3.378 1.00 0.17 H new ATOM 0 HG22 THR A 113 -38.808 23.336 -2.412 1.00 0.17 H new ATOM 0 HG23 THR A 113 -37.293 23.972 -3.096 1.00 0.17 H new ATOM 1759 N ILE A 114 -38.958 25.302 -0.173 1.00 0.12 N ATOM 1760 CA ILE A 114 -40.397 25.609 -0.009 1.00 0.12 C ATOM 1761 C ILE A 114 -40.979 25.960 -1.375 1.00 0.14 C ATOM 1762 O ILE A 114 -40.538 26.916 -1.997 1.00 0.15 O ATOM 1763 CB ILE A 114 -40.691 26.772 0.976 1.00 0.14 C ATOM 1764 CG1 ILE A 114 -39.865 26.797 2.280 1.00 0.17 C ATOM 1765 CG2 ILE A 114 -42.195 26.785 1.318 1.00 0.16 C ATOM 1766 CD1 ILE A 114 -39.764 28.208 2.874 1.00 0.27 C ATOM 0 H ILE A 114 -38.401 26.099 -0.483 1.00 0.12 H new ATOM 0 HA ILE A 114 -40.859 24.719 0.419 1.00 0.12 H new ATOM 0 HB ILE A 114 -40.381 27.670 0.441 1.00 0.14 H new ATOM 0 HG12 ILE A 114 -40.321 26.129 3.010 1.00 0.17 H new ATOM 0 HG13 ILE A 114 -38.863 26.416 2.081 1.00 0.17 H new ATOM 0 HG21 ILE A 114 -42.404 27.601 2.010 1.00 0.16 H new ATOM 0 HG22 ILE A 114 -42.774 26.926 0.406 1.00 0.16 H new ATOM 0 HG23 ILE A 114 -42.471 25.838 1.781 1.00 0.16 H new ATOM 0 HD11 ILE A 114 -39.174 28.176 3.790 1.00 0.27 H new ATOM 0 HD12 ILE A 114 -39.283 28.872 2.156 1.00 0.27 H new ATOM 0 HD13 ILE A 114 -40.763 28.580 3.099 1.00 0.27 H new ATOM 1778 N GLY A 115 -41.979 25.227 -1.867 1.00 0.16 N ATOM 1779 CA GLY A 115 -42.698 25.644 -3.083 1.00 0.19 C ATOM 1780 C GLY A 115 -41.921 25.555 -4.306 1.00 0.21 C ATOM 1781 O GLY A 115 -42.336 25.931 -5.435 1.00 0.29 O ATOM 0 H GLY A 115 -42.309 24.355 -1.454 1.00 0.16 H new ATOM 0 HA2 GLY A 115 -43.591 25.028 -3.190 1.00 0.19 H new ATOM 0 HA3 GLY A 115 -43.034 26.673 -2.956 1.00 0.19 H new ATOM 1785 N GLY A 116 -40.783 24.856 -4.222 1.00 0.17 N ATOM 1786 CA GLY A 116 -39.765 24.797 -5.264 1.00 0.19 C ATOM 1787 C GLY A 116 -38.707 25.893 -5.142 1.00 0.18 C ATOM 1788 O GLY A 116 -37.730 25.835 -5.884 1.00 0.21 O ATOM 0 H GLY A 116 -40.543 24.301 -3.400 1.00 0.17 H new ATOM 0 HA2 GLY A 116 -39.275 23.824 -5.228 1.00 0.19 H new ATOM 0 HA3 GLY A 116 -40.248 24.875 -6.238 1.00 0.19 H new ATOM 1792 N VAL A 117 -38.843 26.877 -4.235 1.00 0.15 N ATOM 1793 CA VAL A 117 -37.779 27.858 -3.951 1.00 0.15 C ATOM 1794 C VAL A 117 -36.764 27.387 -2.912 1.00 0.14 C ATOM 1795 O VAL A 117 -37.126 26.952 -1.814 1.00 0.17 O ATOM 1796 CB VAL A 117 -38.286 29.307 -3.752 1.00 0.14 C ATOM 1797 CG1 VAL A 117 -38.583 29.708 -2.300 1.00 0.14 C ATOM 1798 CG2 VAL A 117 -37.243 30.306 -4.276 1.00 0.16 C ATOM 0 H VAL A 117 -39.688 27.015 -3.681 1.00 0.15 H new ATOM 0 HA VAL A 117 -37.203 27.914 -4.875 1.00 0.15 H new ATOM 0 HB VAL A 117 -39.226 29.336 -4.303 1.00 0.14 H new ATOM 0 HG11 VAL A 117 -38.931 30.740 -2.272 1.00 0.14 H new ATOM 0 HG12 VAL A 117 -39.353 29.054 -1.892 1.00 0.14 H new ATOM 0 HG13 VAL A 117 -37.675 29.615 -1.704 1.00 0.14 H new ATOM 0 HG21 VAL A 117 -37.608 31.323 -4.132 1.00 0.16 H new ATOM 0 HG22 VAL A 117 -36.308 30.176 -3.731 1.00 0.16 H new ATOM 0 HG23 VAL A 117 -37.071 30.129 -5.338 1.00 0.16 H new ATOM 1808 N THR A 118 -35.490 27.413 -3.294 1.00 0.13 N ATOM 1809 CA THR A 118 -34.361 26.891 -2.516 1.00 0.14 C ATOM 1810 C THR A 118 -33.766 27.815 -1.454 1.00 0.18 C ATOM 1811 O THR A 118 -33.609 29.017 -1.678 1.00 0.26 O ATOM 1812 CB THR A 118 -33.259 26.279 -3.407 1.00 0.20 C ATOM 1813 OG1 THR A 118 -33.766 25.910 -4.672 1.00 0.26 O ATOM 1814 CG2 THR A 118 -32.589 25.040 -2.812 1.00 0.27 C ATOM 0 H THR A 118 -35.201 27.812 -4.187 1.00 0.13 H new ATOM 0 HA THR A 118 -34.831 26.097 -1.935 1.00 0.14 H new ATOM 0 HB THR A 118 -32.515 27.071 -3.490 1.00 0.20 H new ATOM 0 HG1 THR A 118 -33.045 25.527 -5.214 1.00 0.26 H new ATOM 0 HG21 THR A 118 -31.828 24.672 -3.500 1.00 0.27 H new ATOM 0 HG22 THR A 118 -32.124 25.299 -1.861 1.00 0.27 H new ATOM 0 HG23 THR A 118 -33.337 24.264 -2.650 1.00 0.27 H new ATOM 1822 N TYR A 119 -33.213 27.212 -0.407 1.00 0.18 N ATOM 1823 CA TYR A 119 -32.261 27.808 0.548 1.00 0.24 C ATOM 1824 C TYR A 119 -31.032 26.924 0.767 1.00 0.23 C ATOM 1825 O TYR A 119 -31.199 25.709 0.827 1.00 0.29 O ATOM 1826 CB TYR A 119 -32.980 28.238 1.842 1.00 0.43 C ATOM 1827 CG TYR A 119 -32.139 28.508 3.083 1.00 0.31 C ATOM 1828 CD1 TYR A 119 -31.493 27.458 3.773 1.00 0.44 C ATOM 1829 CD2 TYR A 119 -32.075 29.816 3.604 1.00 0.27 C ATOM 1830 CE1 TYR A 119 -30.742 27.725 4.931 1.00 0.51 C ATOM 1831 CE2 TYR A 119 -31.352 30.086 4.782 1.00 0.33 C ATOM 1832 CZ TYR A 119 -30.669 29.038 5.442 1.00 0.44 C ATOM 1833 OH TYR A 119 -29.950 29.282 6.562 1.00 0.60 O ATOM 0 H TYR A 119 -33.423 26.240 -0.182 1.00 0.18 H new ATOM 0 HA TYR A 119 -31.859 28.723 0.112 1.00 0.24 H new ATOM 0 HB2 TYR A 119 -33.547 29.143 1.622 1.00 0.43 H new ATOM 0 HB3 TYR A 119 -33.703 27.462 2.093 1.00 0.43 H new ATOM 0 HD1 TYR A 119 -31.577 26.445 3.409 1.00 0.44 H new ATOM 0 HD2 TYR A 119 -32.586 30.620 3.094 1.00 0.27 H new ATOM 0 HE1 TYR A 119 -30.219 26.923 5.431 1.00 0.51 H new ATOM 0 HE2 TYR A 119 -31.319 31.089 5.180 1.00 0.33 H new ATOM 0 HH TYR A 119 -30.557 29.502 7.299 1.00 0.60 H new ATOM 1843 N GLU A 120 -29.814 27.433 0.895 1.00 0.33 N ATOM 1844 CA GLU A 120 -28.625 26.568 0.928 1.00 0.38 C ATOM 1845 C GLU A 120 -27.504 27.275 1.681 1.00 0.55 C ATOM 1846 O GLU A 120 -27.042 28.290 1.159 1.00 0.78 O ATOM 1847 CB GLU A 120 -28.218 26.280 -0.530 1.00 0.46 C ATOM 1848 CG GLU A 120 -26.920 25.464 -0.691 1.00 0.57 C ATOM 1849 CD GLU A 120 -26.152 25.816 -1.981 1.00 0.68 C ATOM 1850 OE1 GLU A 120 -26.111 27.017 -2.349 1.00 0.88 O ATOM 1851 OE2 GLU A 120 -25.490 24.904 -2.517 1.00 0.73 O ATOM 0 H GLU A 120 -29.616 28.430 0.978 1.00 0.33 H new ATOM 0 HA GLU A 120 -28.832 25.630 1.443 1.00 0.38 H new ATOM 0 HB2 GLU A 120 -29.031 25.743 -1.020 1.00 0.46 H new ATOM 0 HB3 GLU A 120 -28.101 27.229 -1.054 1.00 0.46 H new ATOM 0 HG2 GLU A 120 -26.276 25.640 0.170 1.00 0.57 H new ATOM 0 HG3 GLU A 120 -27.162 24.401 -0.696 1.00 0.57 H new ATOM 1858 N ARG A 121 -27.071 26.812 2.876 1.00 0.54 N ATOM 1859 CA ARG A 121 -25.899 27.411 3.543 1.00 0.74 C ATOM 1860 C ARG A 121 -25.137 26.506 4.483 1.00 0.44 C ATOM 1861 O ARG A 121 -25.614 25.467 4.929 1.00 0.31 O ATOM 1862 CB ARG A 121 -26.257 28.737 4.252 1.00 1.17 C ATOM 1863 CG ARG A 121 -26.211 29.981 3.357 1.00 2.28 C ATOM 1864 CD ARG A 121 -24.970 30.099 2.445 1.00 3.33 C ATOM 1865 NE ARG A 121 -24.937 31.417 1.806 1.00 4.09 N ATOM 1866 CZ ARG A 121 -23.918 32.073 1.301 1.00 5.25 C ATOM 1867 NH1 ARG A 121 -22.759 31.516 1.102 1.00 5.79 N ATOM 1868 NH2 ARG A 121 -24.085 33.321 0.979 1.00 6.09 N ATOM 0 H ARG A 121 -27.506 26.043 3.386 1.00 0.54 H new ATOM 0 HA ARG A 121 -25.214 27.604 2.717 1.00 0.74 H new ATOM 0 HB2 ARG A 121 -27.258 28.648 4.674 1.00 1.17 H new ATOM 0 HB3 ARG A 121 -25.571 28.882 5.087 1.00 1.17 H new ATOM 0 HG2 ARG A 121 -27.103 29.989 2.730 1.00 2.28 H new ATOM 0 HG3 ARG A 121 -26.259 30.866 3.992 1.00 2.28 H new ATOM 0 HD2 ARG A 121 -24.063 29.948 3.031 1.00 3.33 H new ATOM 0 HD3 ARG A 121 -24.992 29.318 1.685 1.00 3.33 H new ATOM 0 HE ARG A 121 -25.836 31.894 1.745 1.00 4.09 H new ATOM 0 HH11 ARG A 121 -22.617 30.535 1.341 1.00 5.79 H new ATOM 0 HH12 ARG A 121 -21.992 32.061 0.707 1.00 5.79 H new ATOM 0 HH21 ARG A 121 -24.991 33.767 1.121 1.00 6.09 H new ATOM 0 HH22 ARG A 121 -23.310 33.854 0.585 1.00 6.09 H new ATOM 1882 N VAL A 122 -23.885 26.906 4.719 1.00 0.52 N ATOM 1883 CA VAL A 122 -22.875 26.227 5.541 1.00 0.38 C ATOM 1884 C VAL A 122 -22.775 26.810 6.952 1.00 0.34 C ATOM 1885 O VAL A 122 -22.627 28.021 7.102 1.00 0.42 O ATOM 1886 CB VAL A 122 -21.488 26.241 4.857 1.00 0.44 C ATOM 1887 CG1 VAL A 122 -20.524 25.252 5.521 1.00 0.86 C ATOM 1888 CG2 VAL A 122 -21.553 25.963 3.346 1.00 0.89 C ATOM 0 H VAL A 122 -23.524 27.770 4.315 1.00 0.52 H new ATOM 0 HA VAL A 122 -23.208 25.194 5.638 1.00 0.38 H new ATOM 0 HB VAL A 122 -21.111 27.256 4.987 1.00 0.44 H new ATOM 0 HG11 VAL A 122 -19.559 25.289 5.015 1.00 0.86 H new ATOM 0 HG12 VAL A 122 -20.394 25.519 6.570 1.00 0.86 H new ATOM 0 HG13 VAL A 122 -20.932 24.244 5.452 1.00 0.86 H new ATOM 0 HG21 VAL A 122 -20.547 25.987 2.928 1.00 0.89 H new ATOM 0 HG22 VAL A 122 -21.993 24.981 3.175 1.00 0.89 H new ATOM 0 HG23 VAL A 122 -22.165 26.724 2.862 1.00 0.89 H new ATOM 1898 N SER A 123 -22.630 25.949 7.959 1.00 0.27 N ATOM 1899 CA SER A 123 -22.374 26.290 9.345 1.00 0.28 C ATOM 1900 C SER A 123 -21.097 25.623 9.707 1.00 0.27 C ATOM 1901 O SER A 123 -20.785 24.468 9.332 1.00 0.36 O ATOM 1902 CB SER A 123 -23.579 25.745 10.176 1.00 0.31 C ATOM 1903 OG SER A 123 -23.468 25.985 11.569 1.00 1.13 O ATOM 0 H SER A 123 -22.693 24.941 7.814 1.00 0.27 H new ATOM 0 HA SER A 123 -22.282 27.360 9.531 1.00 0.28 H new ATOM 0 HB2 SER A 123 -24.498 26.203 9.810 1.00 0.31 H new ATOM 0 HB3 SER A 123 -23.669 24.672 10.008 1.00 0.31 H new ATOM 0 HG SER A 123 -24.254 25.621 12.027 1.00 1.13 H new ATOM 1909 N LYS A 124 -20.249 26.409 10.398 1.00 0.26 N ATOM 1910 CA LYS A 124 -18.831 26.125 10.677 1.00 0.28 C ATOM 1911 C LYS A 124 -18.601 25.596 12.094 1.00 0.25 C ATOM 1912 O LYS A 124 -19.105 26.136 13.072 1.00 0.28 O ATOM 1913 CB LYS A 124 -17.932 27.340 10.321 1.00 0.36 C ATOM 1914 CG LYS A 124 -18.367 28.716 10.877 1.00 0.44 C ATOM 1915 CD LYS A 124 -17.451 29.873 10.435 1.00 0.83 C ATOM 1916 CE LYS A 124 -18.145 31.251 10.495 1.00 1.29 C ATOM 1917 NZ LYS A 124 -17.847 32.077 11.692 1.00 1.76 N ATOM 0 H LYS A 124 -20.549 27.300 10.794 1.00 0.26 H new ATOM 0 HA LYS A 124 -18.529 25.310 10.020 1.00 0.28 H new ATOM 0 HB2 LYS A 124 -16.923 27.133 10.679 1.00 0.36 H new ATOM 0 HB3 LYS A 124 -17.876 27.415 9.235 1.00 0.36 H new ATOM 0 HG2 LYS A 124 -19.386 28.925 10.552 1.00 0.44 H new ATOM 0 HG3 LYS A 124 -18.383 28.671 11.966 1.00 0.44 H new ATOM 0 HD2 LYS A 124 -16.566 29.891 11.070 1.00 0.83 H new ATOM 0 HD3 LYS A 124 -17.109 29.689 9.417 1.00 0.83 H new ATOM 0 HE2 LYS A 124 -17.862 31.817 9.608 1.00 1.29 H new ATOM 0 HE3 LYS A 124 -19.223 31.096 10.444 1.00 1.29 H new ATOM 0 HZ1 LYS A 124 -18.207 33.042 11.547 1.00 1.76 H new ATOM 0 HZ2 LYS A 124 -18.306 31.658 12.526 1.00 1.76 H new ATOM 0 HZ3 LYS A 124 -16.819 32.111 11.843 1.00 1.76 H new ATOM 1931 N ARG A 125 -17.833 24.508 12.208 1.00 0.23 N ATOM 1932 CA ARG A 125 -17.544 23.816 13.473 1.00 0.21 C ATOM 1933 C ARG A 125 -16.526 24.569 14.322 1.00 0.23 C ATOM 1934 O ARG A 125 -15.467 24.944 13.828 1.00 0.26 O ATOM 1935 CB ARG A 125 -17.088 22.390 13.126 1.00 0.26 C ATOM 1936 CG ARG A 125 -16.970 21.414 14.305 1.00 0.40 C ATOM 1937 CD ARG A 125 -16.659 20.012 13.755 1.00 0.65 C ATOM 1938 NE ARG A 125 -16.642 18.981 14.809 1.00 1.02 N ATOM 1939 CZ ARG A 125 -15.619 18.694 15.593 1.00 1.53 C ATOM 1940 NH1 ARG A 125 -14.490 19.338 15.519 1.00 2.06 N ATOM 1941 NH2 ARG A 125 -15.739 17.787 16.523 1.00 2.00 N ATOM 0 H ARG A 125 -17.382 24.071 11.404 1.00 0.23 H new ATOM 0 HA ARG A 125 -18.441 23.773 14.091 1.00 0.21 H new ATOM 0 HB2 ARG A 125 -17.789 21.972 12.403 1.00 0.26 H new ATOM 0 HB3 ARG A 125 -16.118 22.450 12.632 1.00 0.26 H new ATOM 0 HG2 ARG A 125 -16.182 21.737 14.985 1.00 0.40 H new ATOM 0 HG3 ARG A 125 -17.898 21.398 14.877 1.00 0.40 H new ATOM 0 HD2 ARG A 125 -17.403 19.747 13.004 1.00 0.65 H new ATOM 0 HD3 ARG A 125 -15.692 20.029 13.253 1.00 0.65 H new ATOM 0 HE ARG A 125 -17.497 18.441 14.945 1.00 1.02 H new ATOM 0 HH11 ARG A 125 -14.376 20.090 14.840 1.00 2.06 H new ATOM 0 HH12 ARG A 125 -13.720 19.090 16.140 1.00 2.06 H new ATOM 0 HH21 ARG A 125 -16.625 17.297 16.646 1.00 2.00 H new ATOM 0 HH22 ARG A 125 -14.947 17.568 17.127 1.00 2.00 H new ATOM 1955 N LEU A 126 -16.770 24.580 15.633 1.00 0.25 N ATOM 1956 CA LEU A 126 -15.801 24.965 16.672 1.00 0.28 C ATOM 1957 C LEU A 126 -15.942 24.104 17.947 1.00 0.31 C ATOM 1958 O LEU A 126 -15.573 24.492 19.050 1.00 0.41 O ATOM 1959 CB LEU A 126 -15.754 26.506 16.847 1.00 0.30 C ATOM 1960 CG LEU A 126 -16.922 27.315 17.454 1.00 0.29 C ATOM 1961 CD1 LEU A 126 -18.279 27.046 16.804 1.00 0.28 C ATOM 1962 CD2 LEU A 126 -17.075 27.157 18.967 1.00 0.30 C ATOM 0 H LEU A 126 -17.676 24.313 16.018 1.00 0.25 H new ATOM 0 HA LEU A 126 -14.790 24.720 16.346 1.00 0.28 H new ATOM 0 HB2 LEU A 126 -14.877 26.723 17.456 1.00 0.30 H new ATOM 0 HB3 LEU A 126 -15.567 26.925 15.858 1.00 0.30 H new ATOM 0 HG LEU A 126 -16.626 28.341 17.235 1.00 0.29 H new ATOM 0 HD11 LEU A 126 -19.042 27.654 17.290 1.00 0.28 H new ATOM 0 HD12 LEU A 126 -18.232 27.300 15.745 1.00 0.28 H new ATOM 0 HD13 LEU A 126 -18.532 25.991 16.913 1.00 0.28 H new ATOM 0 HD21 LEU A 126 -17.917 27.757 19.312 1.00 0.30 H new ATOM 0 HD22 LEU A 126 -17.254 26.109 19.207 1.00 0.30 H new ATOM 0 HD23 LEU A 126 -16.163 27.492 19.462 1.00 0.30 H new ATOM 1974 N ALA A 127 -16.383 22.856 17.770 1.00 0.40 N ATOM 1975 CA ALA A 127 -16.367 21.817 18.798 1.00 0.44 C ATOM 1976 C ALA A 127 -14.930 21.344 19.110 1.00 0.71 C ATOM 1977 O ALA A 127 -14.413 20.434 18.452 1.00 1.34 O ATOM 1978 CB ALA A 127 -17.272 20.673 18.325 1.00 0.44 C ATOM 1979 OXT ALA A 127 -14.278 21.864 20.016 1.00 30.00 O ATOM 0 H ALA A 127 -16.771 22.534 16.883 1.00 0.40 H new ATOM 0 HA ALA A 127 -16.749 22.214 19.739 1.00 0.44 H new ATOM 0 HB1 ALA A 127 -17.279 19.881 19.074 1.00 0.44 H new ATOM 0 HB2 ALA A 127 -18.286 21.047 18.182 1.00 0.44 H new ATOM 0 HB3 ALA A 127 -16.895 20.277 17.382 1.00 0.44 H new TER 1985 ALA A 127 HETATM 1986 C GCH A 201 -28.763 18.214 12.663 1.00 0.06 C HETATM 1987 O GCH A 201 -30.043 17.564 12.581 1.00 -0.39 O HETATM 1988 C1 GCH A 201 -28.549 18.907 11.292 1.00 -0.02 C HETATM 1989 C2 GCH A 201 -27.269 19.815 11.114 1.00 -0.03 C HETATM 1990 C3 GCH A 201 -27.218 20.880 12.252 1.00 -0.03 C HETATM 1991 C4 GCH A 201 -27.478 20.196 13.635 1.00 -0.04 C HETATM 1992 C5 GCH A 201 -28.693 19.334 13.752 1.00 -0.03 C HETATM 1993 C6 GCH A 201 -25.745 21.342 12.365 1.00 -0.06 C HETATM 1994 C7 GCH A 201 -27.280 20.373 9.690 1.00 -0.02 C HETATM 1995 C8 GCH A 201 -28.188 21.619 9.536 1.00 0.06 C HETATM 1996 O1 GCH A 201 -29.518 21.260 9.229 1.00 -0.39 O HETATM 1997 C9 GCH A 201 -27.983 22.634 10.655 1.00 -0.01 C HETATM 1998 C10 GCH A 201 -28.258 22.023 11.998 1.00 -0.03 C HETATM 1999 C11 GCH A 201 -28.213 23.040 13.173 1.00 -0.02 C HETATM 2000 C12 GCH A 201 -28.667 24.472 12.968 1.00 0.06 C HETATM 2001 C13 GCH A 201 -28.364 25.016 11.515 1.00 0.00 C HETATM 2002 C14 GCH A 201 -28.842 23.896 10.573 1.00 -0.03 C HETATM 2003 C15 GCH A 201 -28.934 24.537 9.135 1.00 -0.05 C HETATM 2004 C16 GCH A 201 -29.030 26.013 9.430 1.00 -0.05 C HETATM 2005 C17 GCH A 201 -29.214 26.218 10.999 1.00 -0.03 C HETATM 2006 C18 GCH A 201 -28.788 27.631 11.472 1.00 -0.04 C HETATM 2007 C19 GCH A 201 -28.404 27.684 13.028 1.00 -0.06 C HETATM 2008 C20 GCH A 201 -29.792 28.712 11.380 1.00 -0.04 C HETATM 2009 C21 GCH A 201 -30.686 28.645 10.130 1.00 0.07 C HETATM 2010 C22 GCH A 201 -31.461 29.890 9.870 1.00 0.38 C HETATM 2011 N GCH A 201 -31.317 30.879 10.753 1.00 -0.21 N HETATM 2012 CA GCH A 201 -31.296 32.311 10.533 1.00 0.19 C HETATM 2013 O2 GCH A 201 -32.142 29.991 8.900 1.00 -0.22 O HETATM 2014 C23 GCH A 201 -26.824 25.273 11.293 1.00 -0.06 C HETATM 2015 O3 GCH A 201 -30.014 24.676 13.356 1.00 -0.39 O HETATM 2016 C24 GCH A 201 -29.822 32.739 10.635 1.00 0.12 C HETATM 2017 O4 GCH A 201 -29.178 32.435 11.674 1.00 -0.80 O HETATM 2018 O5 GCH A 201 -29.379 33.391 9.593 1.00 -0.31 O HETATM 0 H9 GCH A 201 -26.340 19.255 11.219 1.00 -0.03 H new HETATM 0 H8 GCH A 201 -25.113 20.487 12.606 1.00 -0.06 H new HETATM 0 H7 GCH A 201 -25.425 21.773 11.416 1.00 -0.06 H new HETATM 0 H6 GCH A 201 -25.658 22.091 13.152 1.00 -0.06 H new HETATM 0 H5 GCH A 201 -26.607 19.588 13.880 1.00 -0.04 H new HETATM 0 H43 GCH A 201 -29.677 31.763 12.184 1.00 -0.80 H new HETATM 0 H42 GCH A 201 -28.814 22.624 13.982 1.00 -0.02 H new HETATM 0 H41 GCH A 201 -27.183 23.077 13.528 1.00 -0.02 H new HETATM 0 H40 GCH A 201 -28.059 25.075 13.642 1.00 0.06 H new HETATM 0 H4 GCH A 201 -27.544 20.978 14.392 1.00 -0.04 H new HETATM 0 H39 GCH A 201 -30.571 23.954 12.996 1.00 -0.39 H new HETATM 0 H38 GCH A 201 -26.471 26.010 12.014 1.00 -0.06 H new HETATM 0 H37 GCH A 201 -26.276 24.341 11.429 1.00 -0.06 H new HETATM 0 H36 GCH A 201 -26.659 25.646 10.282 1.00 -0.06 H new HETATM 0 H35 GCH A 201 -29.823 23.524 10.870 1.00 -0.03 H new HETATM 0 H34 GCH A 201 -28.058 24.302 8.531 1.00 -0.05 H new HETATM 0 H33 GCH A 201 -29.805 24.177 8.587 1.00 -0.05 H new HETATM 0 H32 GCH A 201 -28.131 26.525 9.086 1.00 -0.05 H new HETATM 0 H31 GCH A 201 -29.871 26.450 8.892 1.00 -0.05 H new HETATM 0 H30 GCH A 201 -30.235 26.204 11.380 1.00 -0.03 H new HETATM 0 H3 GCH A 201 -29.583 19.960 13.678 1.00 -0.03 H new HETATM 0 H29 GCH A 201 -27.965 27.801 10.778 1.00 -0.04 H new HETATM 0 H28 GCH A 201 -30.425 28.679 12.267 1.00 -0.04 H new HETATM 0 H27 GCH A 201 -29.276 29.672 11.392 1.00 -0.04 H new HETATM 0 H26 GCH A 201 -30.063 28.430 9.262 1.00 0.07 H new HETATM 0 H25 GCH A 201 -31.381 27.813 10.238 1.00 0.07 H new HETATM 0 H24 GCH A 201 -31.206 30.585 11.723 1.00 -0.21 H new HETATM 0 H23 GCH A 201 -31.707 32.561 9.555 1.00 0.19 H new HETATM 0 H22 GCH A 201 -31.904 32.828 11.276 1.00 0.19 H new HETATM 0 H21 GCH A 201 -29.264 27.381 13.625 1.00 -0.06 H new HETATM 0 H20 GCH A 201 -27.572 27.007 13.221 1.00 -0.06 H new HETATM 0 H2 GCH A 201 -28.709 18.873 14.739 1.00 -0.03 H new HETATM 0 H19 GCH A 201 -28.115 28.700 13.297 1.00 -0.06 H new HETATM 0 H18 GCH A 201 -26.262 20.634 9.400 1.00 -0.02 H new HETATM 0 H17 GCH A 201 -27.618 19.597 9.004 1.00 -0.02 H new HETATM 0 H16 GCH A 201 -27.871 22.180 8.657 1.00 0.06 H new HETATM 0 H15 GCH A 201 -26.941 22.927 10.528 1.00 -0.01 H new HETATM 0 H14 GCH A 201 -29.277 21.638 11.971 1.00 -0.03 H new HETATM 0 H13 GCH A 201 -29.626 21.206 8.256 1.00 -0.39 H new HETATM 0 H12 GCH A 201 -28.016 17.463 12.921 1.00 0.06 H new HETATM 0 H11 GCH A 201 -28.518 18.131 10.527 1.00 -0.02 H new HETATM 0 H10 GCH A 201 -29.426 19.521 11.088 1.00 -0.02 H new HETATM 0 H1 GCH A 201 -30.483 17.813 11.742 1.00 -0.39 H new HETATM 2061 C1 CHO A 202 -35.940 17.505 9.617 1.00 -0.04 C HETATM 2062 C2 CHO A 202 -34.399 17.496 9.474 1.00 -0.03 C HETATM 2063 C3 CHO A 202 -33.746 17.186 10.858 1.00 0.06 C HETATM 2064 O3 CHO A 202 -32.325 17.460 10.695 1.00 -0.39 O HETATM 2065 C4 CHO A 202 -34.267 18.017 11.980 1.00 -0.02 C HETATM 2066 C5 CHO A 202 -35.807 17.907 12.063 1.00 -0.03 C HETATM 2067 C6 CHO A 202 -36.327 18.712 13.232 1.00 -0.02 C HETATM 2068 C7 CHO A 202 -36.214 20.133 13.117 1.00 0.06 C HETATM 2069 O7 CHO A 202 -34.927 20.451 13.656 1.00 -0.39 O HETATM 2070 C8 CHO A 202 -36.498 20.674 11.716 1.00 -0.01 C HETATM 2071 C9 CHO A 202 -36.098 19.745 10.564 1.00 -0.03 C HETATM 2072 C10 CHO A 202 -36.456 18.344 10.739 1.00 -0.03 C HETATM 2073 C11 CHO A 202 -36.567 20.315 9.195 1.00 -0.02 C HETATM 2074 C12 CHO A 202 -35.980 21.708 8.979 1.00 0.06 C HETATM 2075 C13 CHO A 202 -36.281 22.615 10.105 1.00 0.00 C HETATM 2076 C14 CHO A 202 -35.729 22.020 11.429 1.00 -0.03 C HETATM 2077 C15 CHO A 202 -35.790 23.197 12.365 1.00 -0.05 C HETATM 2078 C16 CHO A 202 -35.566 24.450 11.446 1.00 -0.05 C HETATM 2079 C17 CHO A 202 -35.358 23.932 10.062 1.00 -0.03 C HETATM 2080 C18 CHO A 202 -37.820 22.962 10.177 1.00 -0.06 C HETATM 2081 C19 CHO A 202 -37.985 18.217 10.841 1.00 -0.06 C HETATM 2082 C20 CHO A 202 -35.619 24.962 8.922 1.00 -0.04 C HETATM 2083 C21 CHO A 202 -34.533 24.576 7.817 1.00 -0.06 C HETATM 2084 C22 CHO A 202 -35.478 26.463 9.259 1.00 -0.04 C HETATM 2085 C23 CHO A 202 -36.722 27.326 9.146 1.00 0.07 C HETATM 2086 C24 CHO A 202 -37.964 27.058 9.993 1.00 0.38 C HETATM 2087 O24 CHO A 202 -38.339 25.994 10.405 1.00 -0.22 O HETATM 2088 N25 CHO A 202 -38.844 28.116 10.135 1.00 -0.21 N HETATM 2089 C26 CHO A 202 -40.199 27.963 10.201 1.00 0.19 C HETATM 2090 C27 CHO A 202 -40.890 28.311 11.562 1.00 0.12 C HETATM 2091 OT1 CHO A 202 -40.157 28.605 12.521 1.00 -0.80 O HETATM 2092 OT2 CHO A 202 -42.115 28.235 11.555 1.00 -0.31 O HETATM 0 H262 CHO A 202 -40.648 28.583 9.425 1.00 0.19 H new HETATM 0 H261 CHO A 202 -40.435 26.927 9.957 1.00 0.19 H new HETATM 0 H232 CHO A 202 -36.415 28.351 9.352 1.00 0.07 H new HETATM 0 H231 CHO A 202 -37.037 27.291 8.103 1.00 0.07 H new HETATM 0 H222 CHO A 202 -35.103 26.545 10.279 1.00 -0.04 H new HETATM 0 H221 CHO A 202 -34.715 26.885 8.604 1.00 -0.04 H new HETATM 0 H213 CHO A 202 -33.533 24.670 8.241 1.00 -0.06 H new HETATM 0 H212 CHO A 202 -34.694 23.548 7.492 1.00 -0.06 H new HETATM 0 H211 CHO A 202 -34.630 25.246 6.962 1.00 -0.06 H new HETATM 0 H193 CHO A 202 -38.441 18.551 9.909 1.00 -0.06 H new HETATM 0 H192 CHO A 202 -38.252 17.176 11.023 1.00 -0.06 H new HETATM 0 H191 CHO A 202 -38.347 18.834 11.663 1.00 -0.06 H new HETATM 0 H183 CHO A 202 -38.127 23.449 9.252 1.00 -0.06 H new HETATM 0 H182 CHO A 202 -38.394 22.045 10.312 1.00 -0.06 H new HETATM 0 H181 CHO A 202 -38.003 23.631 11.018 1.00 -0.06 H new HETATM 0 H162 CHO A 202 -36.427 25.118 11.485 1.00 -0.05 H new HETATM 0 H161 CHO A 202 -34.702 25.025 11.779 1.00 -0.05 H new HETATM 0 H152 CHO A 202 -36.752 23.247 12.876 1.00 -0.05 H new HETATM 0 H151 CHO A 202 -35.023 23.130 13.136 1.00 -0.05 H new HETATM 0 H122 CHO A 202 -34.900 21.631 8.854 1.00 0.06 H new HETATM 0 H121 CHO A 202 -36.378 22.130 8.057 1.00 0.06 H new HETATM 0 H112 CHO A 202 -36.254 19.651 8.389 1.00 -0.02 H new HETATM 0 H111 CHO A 202 -37.656 20.362 9.165 1.00 -0.02 H new HETATM 0 HO7 CHO A 202 -35.003 21.229 14.247 1.00 -0.39 H new HETATM 0 HO3 CHO A 202 -32.174 17.907 9.836 1.00 -0.39 H new HETATM 0 HN CHO A 202 -38.461 29.059 10.193 1.00 -0.21 H new HETATM 0 H9 CHO A 202 -35.008 19.731 10.576 1.00 -0.03 H new HETATM 0 H8 CHO A 202 -37.581 20.797 11.736 1.00 -0.01 H new HETATM 0 H7 CHO A 202 -36.993 20.646 13.681 1.00 0.06 H new HETATM 0 H62 CHO A 202 -37.378 18.462 13.380 1.00 -0.02 H new HETATM 0 H61 CHO A 202 -35.795 18.397 14.129 1.00 -0.02 H new HETATM 0 H5 CHO A 202 -36.077 16.864 12.229 1.00 -0.03 H new HETATM 0 H42 CHO A 202 -33.822 17.691 12.920 1.00 -0.02 H new HETATM 0 H41 CHO A 202 -33.978 19.058 11.835 1.00 -0.02 H new HETATM 0 H3 CHO A 202 -33.973 16.154 11.126 1.00 0.06 H new HETATM 0 H22 CHO A 202 -34.096 16.747 8.742 1.00 -0.03 H new HETATM 0 H21 CHO A 202 -34.052 18.461 9.105 1.00 -0.03 H new HETATM 0 H20 CHO A 202 -36.668 24.885 8.634 1.00 -0.04 H new HETATM 0 H17 CHO A 202 -34.324 23.709 9.800 1.00 -0.03 H new HETATM 0 H14 CHO A 202 -34.702 21.658 11.485 1.00 -0.03 H new HETATM 0 H12 CHO A 202 -36.376 17.862 8.684 1.00 -0.04 H new HETATM 0 H11 CHO A 202 -36.284 16.481 9.759 1.00 -0.04 H new