USER MOD reduce.3.24.130724 H: found=0, std=0, add=1068, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 1057 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 105 CYS SG : rot 172:sc= -3! USER MOD Set 1.2: B 108 CYS SG : rot -66:sc= -1.18 USER MOD Set 1.3: B 126 CYS SG : rot 118:sc= -2.67! USER MOD Set 1.4: B 129 HIS : no HD1:sc= -1.6 K(o=-8.4,f=-11) USER MOD Set 2.1: B 79 CYS SG : rot -174:sc= -5.13! USER MOD Set 2.2: B 82 CYS SG : rot -109:sc= -0.823 USER MOD Set 2.3: B 99 HIS : no HE2:sc= -4.84 K(o=-10,f=-14!) USER MOD Set 2.4: B 102 HIS : no HD1:sc= 0.464 K(o=-10,f=-13) USER MOD Set 3.1: A 48 ASN : amide:sc= -26.4! C(o=-27!,f=-20!) USER MOD Set 3.2: A 52 GLN : amide:sc= -0.978 K(o=-27,f=-25) USER MOD Set 4.1: A 31 MET CE :methyl -156:sc= -1.21 (180deg=-3.28!) USER MOD Set 4.2: A 46 CYS SG : rot 14:sc= 0.606 USER MOD Single : A 1 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 1 GLN N :NH3+ -174:sc= -0.349 (180deg=-0.511) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 7 HIS : no HE2:sc= -1.02 X(o=-1,f=-1.4) USER MOD Single : A 10 GLN : amide:sc=-0.00932 K(o=-0.0093,f=-0.89) USER MOD Single : A 11 THR OG1 : rot -123:sc= 1.2 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 160:sc= -2.55 USER MOD Single : A 19 THR OG1 : rot -160:sc= -0.951 USER MOD Single : A 24 ASN : amide:sc= -1.87 K(o=-1.9,f=-0.25) USER MOD Single : A 27 LYS NZ :NH3+ 162:sc= 0 (180deg=-0.149) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ -145:sc= -16.7! (180deg=-18.8!) USER MOD Single : A 39 ASN : amide:sc= -0.0572 K(o=-0.057,f=-2.1!) USER MOD Single : A 45 LYS NZ :NH3+ 162:sc= -0.0598 (180deg=-0.421) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 ASN : amide:sc= -0.0268 K(o=-0.027,f=-1.9!) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot -60:sc= -2.52 USER MOD Single : A 71 HIS : no HD1:sc= -0.648 K(o=-0.65,f=-1.8!) USER MOD Single : B 73 SER OG : rot 180:sc= 0 USER MOD Single : B 74 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 92 ASN : amide:sc= -4.27! K(o=-4.3!,f=-0.34) USER MOD Single : B 94 MET CE :methyl -159:sc= -1.21 (180deg=-3.21!) USER MOD Single : B 96 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0986) USER MOD Single : B 97 GLN : amide:sc= -7.08! K(o=-7.1!,f=-1.8) USER MOD Single : B 107 LYS NZ :NH3+ -154:sc= -1.11 (180deg=-2.72!) USER MOD Single : B 110 LYS NZ :NH3+ 162:sc= -0.166 (180deg=-0.938) USER MOD Single : B 115 HIS : no HD1:sc= -1.68 K(o=-1.7,f=-0.58) USER MOD Single : B 117 HIS : no HD1:sc= -0.458 K(o=-0.46,f=-0.98) USER MOD Single : B 118 TYR OH : rot 0:sc= -0.567 USER MOD Single : B 121 LYS NZ :NH3+ -164:sc=-0.00663 (180deg=-0.208) USER MOD Single : B 125 TYR OH : rot 150:sc= 0 USER MOD Single : B 128 THR OG1 : rot 180:sc= 0 USER MOD Single : B 130 TYR OH : rot -111:sc= 0.729 USER MOD Single : B 131 ASN : amide:sc= -0.58 K(o=-0.58,f=-5.5!) USER MOD Single : B 132 GLN : amide:sc= -0.576 K(o=-0.58,f=-3.6!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 -12.008 -10.607 -27.961 1.00 0.00 N ATOM 2 CA GLN A 1 -10.833 -10.164 -28.763 1.00 0.00 C ATOM 3 C GLN A 1 -9.875 -9.373 -27.870 1.00 0.00 C ATOM 4 O GLN A 1 -8.907 -8.802 -28.334 1.00 0.00 O ATOM 5 CB GLN A 1 -11.307 -9.273 -29.915 1.00 0.00 C ATOM 6 CG GLN A 1 -12.307 -10.047 -30.778 1.00 0.00 C ATOM 7 CD GLN A 1 -12.547 -9.286 -32.083 1.00 0.00 C ATOM 8 OE1 GLN A 1 -12.106 -9.706 -33.135 1.00 0.00 O ATOM 9 NE2 GLN A 1 -13.235 -8.176 -32.061 1.00 0.00 N ATOM 0 H1 GLN A 1 -12.608 -11.229 -28.539 1.00 0.00 H new ATOM 0 H2 GLN A 1 -11.680 -11.125 -27.121 1.00 0.00 H new ATOM 0 H3 GLN A 1 -12.557 -9.776 -27.662 1.00 0.00 H new ATOM 0 HA GLN A 1 -10.319 -11.037 -29.166 1.00 0.00 H new ATOM 0 HB2 GLN A 1 -11.772 -8.369 -29.522 1.00 0.00 H new ATOM 0 HB3 GLN A 1 -10.456 -8.957 -30.519 1.00 0.00 H new ATOM 0 HG2 GLN A 1 -11.924 -11.045 -30.991 1.00 0.00 H new ATOM 0 HG3 GLN A 1 -13.246 -10.174 -30.240 1.00 0.00 H new ATOM 0 HE21 GLN A 1 -13.605 -7.823 -31.179 1.00 0.00 H new ATOM 0 HE22 GLN A 1 -13.402 -7.662 -32.926 1.00 0.00 H new ATOM 20 N GLY A 2 -10.136 -9.333 -26.592 1.00 0.00 N ATOM 21 CA GLY A 2 -9.241 -8.580 -25.671 1.00 0.00 C ATOM 22 C GLY A 2 -9.588 -8.924 -24.223 1.00 0.00 C ATOM 23 O GLY A 2 -10.194 -8.139 -23.517 1.00 0.00 O ATOM 0 H GLY A 2 -10.931 -9.790 -26.146 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -8.200 -8.829 -25.875 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -9.350 -7.508 -25.837 1.00 0.00 H new ATOM 27 N SER A 3 -9.211 -10.087 -23.771 1.00 0.00 N ATOM 28 CA SER A 3 -9.521 -10.478 -22.368 1.00 0.00 C ATOM 29 C SER A 3 -8.619 -11.640 -21.948 1.00 0.00 C ATOM 30 O SER A 3 -9.021 -12.513 -21.207 1.00 0.00 O ATOM 31 CB SER A 3 -10.983 -10.910 -22.271 1.00 0.00 C ATOM 32 OG SER A 3 -11.191 -12.058 -23.080 1.00 0.00 O ATOM 0 H SER A 3 -8.701 -10.784 -24.313 1.00 0.00 H new ATOM 0 HA SER A 3 -9.347 -9.627 -21.709 1.00 0.00 H new ATOM 0 HB2 SER A 3 -11.240 -11.130 -21.235 1.00 0.00 H new ATOM 0 HB3 SER A 3 -11.635 -10.100 -22.596 1.00 0.00 H new ATOM 0 HG SER A 3 -12.128 -12.337 -23.017 1.00 0.00 H new ATOM 38 N ARG A 4 -7.400 -11.654 -22.413 1.00 0.00 N ATOM 39 CA ARG A 4 -6.472 -12.757 -22.034 1.00 0.00 C ATOM 40 C ARG A 4 -6.039 -12.569 -20.580 1.00 0.00 C ATOM 41 O ARG A 4 -5.938 -11.462 -20.090 1.00 0.00 O ATOM 42 CB ARG A 4 -5.241 -12.723 -22.944 1.00 0.00 C ATOM 43 CG ARG A 4 -4.299 -13.878 -22.577 1.00 0.00 C ATOM 44 CD ARG A 4 -3.115 -13.911 -23.546 1.00 0.00 C ATOM 45 NE ARG A 4 -3.599 -13.805 -24.965 1.00 0.00 N ATOM 46 CZ ARG A 4 -4.460 -14.654 -25.463 1.00 0.00 C ATOM 47 NH1 ARG A 4 -4.797 -15.724 -24.800 1.00 0.00 N ATOM 48 NH2 ARG A 4 -4.945 -14.455 -26.659 1.00 0.00 N ATOM 0 H ARG A 4 -7.007 -10.950 -23.038 1.00 0.00 H new ATOM 0 HA ARG A 4 -6.976 -13.717 -22.145 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -5.545 -12.806 -23.988 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -4.723 -11.770 -22.837 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -3.941 -13.756 -21.555 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -4.838 -14.825 -22.615 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -2.433 -13.090 -23.325 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -2.554 -14.836 -23.414 1.00 0.00 H new ATOM 0 HE ARG A 4 -3.247 -13.051 -25.555 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -4.388 -15.906 -23.883 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -5.470 -16.380 -25.198 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -4.652 -13.641 -27.199 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -5.617 -15.114 -27.053 1.00 0.00 H new ATOM 62 N VAL A 5 -5.781 -13.642 -19.881 1.00 0.00 N ATOM 63 CA VAL A 5 -5.355 -13.513 -18.460 1.00 0.00 C ATOM 64 C VAL A 5 -3.985 -12.833 -18.404 1.00 0.00 C ATOM 65 O VAL A 5 -2.958 -13.476 -18.485 1.00 0.00 O ATOM 66 CB VAL A 5 -5.266 -14.903 -17.830 1.00 0.00 C ATOM 67 CG1 VAL A 5 -4.970 -14.768 -16.334 1.00 0.00 C ATOM 68 CG2 VAL A 5 -6.595 -15.635 -18.019 1.00 0.00 C ATOM 0 H VAL A 5 -5.847 -14.598 -20.232 1.00 0.00 H new ATOM 0 HA VAL A 5 -6.080 -12.913 -17.910 1.00 0.00 H new ATOM 0 HB VAL A 5 -4.467 -15.468 -18.310 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -4.907 -15.759 -15.885 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -4.023 -14.246 -16.196 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -5.769 -14.203 -15.855 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -6.532 -16.626 -17.570 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -7.393 -15.069 -17.539 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -6.809 -15.732 -19.083 1.00 0.00 H new ATOM 78 N LEU A 6 -3.971 -11.531 -18.251 1.00 0.00 N ATOM 79 CA LEU A 6 -2.683 -10.773 -18.170 1.00 0.00 C ATOM 80 C LEU A 6 -2.652 -10.035 -16.837 1.00 0.00 C ATOM 81 O LEU A 6 -1.732 -10.171 -16.053 1.00 0.00 O ATOM 82 CB LEU A 6 -2.607 -9.755 -19.316 1.00 0.00 C ATOM 83 CG LEU A 6 -2.408 -10.483 -20.660 1.00 0.00 C ATOM 84 CD1 LEU A 6 -2.872 -9.579 -21.807 1.00 0.00 C ATOM 85 CD2 LEU A 6 -0.923 -10.822 -20.869 1.00 0.00 C ATOM 0 H LEU A 6 -4.809 -10.954 -18.178 1.00 0.00 H new ATOM 0 HA LEU A 6 -1.839 -11.458 -18.249 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -3.521 -9.162 -19.347 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -1.783 -9.062 -19.143 1.00 0.00 H new ATOM 0 HG LEU A 6 -2.992 -11.403 -20.646 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -2.731 -10.095 -22.757 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -3.927 -9.340 -21.677 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -2.288 -8.659 -21.804 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -0.798 -11.336 -21.822 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -0.337 -9.903 -20.872 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -0.580 -11.468 -20.061 1.00 0.00 H new ATOM 97 N HIS A 7 -3.669 -9.258 -16.575 1.00 0.00 N ATOM 98 CA HIS A 7 -3.739 -8.504 -15.297 1.00 0.00 C ATOM 99 C HIS A 7 -5.198 -8.420 -14.850 1.00 0.00 C ATOM 100 O HIS A 7 -5.821 -7.383 -14.929 1.00 0.00 O ATOM 101 CB HIS A 7 -3.186 -7.091 -15.506 1.00 0.00 C ATOM 102 CG HIS A 7 -1.776 -7.177 -16.021 1.00 0.00 C ATOM 103 ND1 HIS A 7 -0.715 -7.556 -15.212 1.00 0.00 N ATOM 104 CD2 HIS A 7 -1.236 -6.934 -17.260 1.00 0.00 C ATOM 105 CE1 HIS A 7 0.398 -7.531 -15.966 1.00 0.00 C ATOM 106 NE2 HIS A 7 0.138 -7.159 -17.224 1.00 0.00 N ATOM 0 H HIS A 7 -4.461 -9.114 -17.201 1.00 0.00 H new ATOM 0 HA HIS A 7 -3.148 -9.012 -14.535 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -3.810 -6.545 -16.213 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -3.209 -6.537 -14.567 1.00 0.00 H new ATOM 0 HD1 HIS A 7 -0.769 -7.808 -14.225 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -1.792 -6.617 -18.130 1.00 0.00 H new ATOM 0 HE1 HIS A 7 1.383 -7.781 -15.600 1.00 0.00 H new ATOM 114 N VAL A 8 -5.745 -9.500 -14.363 1.00 0.00 N ATOM 115 CA VAL A 8 -7.159 -9.464 -13.898 1.00 0.00 C ATOM 116 C VAL A 8 -7.187 -8.610 -12.638 1.00 0.00 C ATOM 117 O VAL A 8 -6.163 -8.437 -12.008 1.00 0.00 O ATOM 118 CB VAL A 8 -7.626 -10.888 -13.583 1.00 0.00 C ATOM 119 CG1 VAL A 8 -9.147 -10.909 -13.454 1.00 0.00 C ATOM 120 CG2 VAL A 8 -7.202 -11.830 -14.715 1.00 0.00 C ATOM 0 H VAL A 8 -5.276 -10.401 -14.268 1.00 0.00 H new ATOM 0 HA VAL A 8 -7.820 -9.049 -14.659 1.00 0.00 H new ATOM 0 HB VAL A 8 -7.174 -11.216 -12.647 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -9.479 -11.923 -13.230 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -9.453 -10.240 -12.649 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -9.596 -10.579 -14.391 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -7.535 -12.843 -14.489 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -7.653 -11.500 -15.651 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -6.116 -11.818 -14.811 1.00 0.00 H new ATOM 130 N VAL A 9 -8.314 -8.046 -12.250 1.00 0.00 N ATOM 131 CA VAL A 9 -8.293 -7.190 -11.020 1.00 0.00 C ATOM 132 C VAL A 9 -9.598 -7.309 -10.231 1.00 0.00 C ATOM 133 O VAL A 9 -10.683 -7.192 -10.763 1.00 0.00 O ATOM 134 CB VAL A 9 -8.057 -5.719 -11.419 1.00 0.00 C ATOM 135 CG1 VAL A 9 -6.937 -5.631 -12.462 1.00 0.00 C ATOM 136 CG2 VAL A 9 -9.336 -5.136 -12.024 1.00 0.00 C ATOM 0 H VAL A 9 -9.217 -8.138 -12.716 1.00 0.00 H new ATOM 0 HA VAL A 9 -7.482 -7.536 -10.380 1.00 0.00 H new ATOM 0 HB VAL A 9 -7.776 -5.157 -10.528 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -6.778 -4.589 -12.738 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -6.017 -6.041 -12.044 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -7.219 -6.201 -13.347 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -9.165 -4.097 -12.304 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -9.614 -5.709 -12.908 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -10.141 -5.186 -11.291 1.00 0.00 H new ATOM 146 N GLN A 10 -9.478 -7.520 -8.946 1.00 0.00 N ATOM 147 CA GLN A 10 -10.674 -7.630 -8.065 1.00 0.00 C ATOM 148 C GLN A 10 -10.888 -6.296 -7.345 1.00 0.00 C ATOM 149 O GLN A 10 -9.982 -5.746 -6.750 1.00 0.00 O ATOM 150 CB GLN A 10 -10.450 -8.736 -7.032 1.00 0.00 C ATOM 151 CG GLN A 10 -10.420 -10.096 -7.728 1.00 0.00 C ATOM 152 CD GLN A 10 -10.127 -11.191 -6.699 1.00 0.00 C ATOM 153 OE1 GLN A 10 -9.072 -11.207 -6.098 1.00 0.00 O ATOM 154 NE2 GLN A 10 -11.022 -12.111 -6.467 1.00 0.00 N ATOM 0 H GLN A 10 -8.585 -7.622 -8.464 1.00 0.00 H new ATOM 0 HA GLN A 10 -11.551 -7.871 -8.665 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -9.512 -8.567 -6.503 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -11.245 -8.716 -6.286 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -11.376 -10.288 -8.216 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -9.657 -10.101 -8.507 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -11.909 -12.099 -6.971 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -10.835 -12.843 -5.781 1.00 0.00 H new ATOM 163 N THR A 11 -12.079 -5.776 -7.399 1.00 0.00 N ATOM 164 CA THR A 11 -12.373 -4.478 -6.727 1.00 0.00 C ATOM 165 C THR A 11 -12.196 -4.601 -5.228 1.00 0.00 C ATOM 166 O THR A 11 -12.326 -5.657 -4.640 1.00 0.00 O ATOM 167 CB THR A 11 -13.809 -4.083 -7.018 1.00 0.00 C ATOM 168 OG1 THR A 11 -14.020 -4.081 -8.420 1.00 0.00 O ATOM 169 CG2 THR A 11 -14.120 -2.695 -6.440 1.00 0.00 C ATOM 0 H THR A 11 -12.871 -6.197 -7.884 1.00 0.00 H new ATOM 0 HA THR A 11 -11.683 -3.724 -7.106 1.00 0.00 H new ATOM 0 HB THR A 11 -14.475 -4.806 -6.547 1.00 0.00 H new ATOM 0 HG1 THR A 11 -14.338 -3.198 -8.702 1.00 0.00 H new ATOM 0 HG21 THR A 11 -15.155 -2.433 -6.661 1.00 0.00 H new ATOM 0 HG22 THR A 11 -13.971 -2.709 -5.360 1.00 0.00 H new ATOM 0 HG23 THR A 11 -13.455 -1.957 -6.888 1.00 0.00 H new ATOM 177 N LEU A 12 -11.914 -3.498 -4.617 1.00 5.40 N ATOM 178 CA LEU A 12 -11.725 -3.438 -3.140 1.00 9.02 C ATOM 179 C LEU A 12 -12.859 -2.584 -2.573 1.00 10.54 C ATOM 180 O LEU A 12 -13.137 -2.611 -1.390 1.00 10.21 O ATOM 181 CB LEU A 12 -10.374 -2.755 -2.802 1.00 7.97 C ATOM 182 CG LEU A 12 -9.097 -3.525 -3.308 1.00 7.96 C ATOM 183 CD1 LEU A 12 -7.870 -2.619 -3.183 1.00 6.40 C ATOM 184 CD2 LEU A 12 -8.790 -4.817 -2.532 1.00 6.66 C ATOM 0 H LEU A 12 -11.801 -2.601 -5.090 1.00 5.40 H new ATOM 0 HA LEU A 12 -11.727 -4.443 -2.718 1.00 9.02 H new ATOM 0 HB2 LEU A 12 -10.372 -1.754 -3.234 1.00 7.97 H new ATOM 0 HB3 LEU A 12 -10.304 -2.636 -1.721 1.00 7.97 H new ATOM 0 HG LEU A 12 -9.314 -3.799 -4.340 1.00 7.96 H new ATOM 0 HD11 LEU A 12 -6.986 -3.153 -3.533 1.00 6.40 H new ATOM 0 HD12 LEU A 12 -8.016 -1.723 -3.787 1.00 6.40 H new ATOM 0 HD13 LEU A 12 -7.732 -2.335 -2.140 1.00 6.40 H new ATOM 0 HD21 LEU A 12 -7.896 -5.285 -2.944 1.00 6.66 H new ATOM 0 HD22 LEU A 12 -8.624 -4.580 -1.481 1.00 6.66 H new ATOM 0 HD23 LEU A 12 -9.632 -5.503 -2.620 1.00 6.66 H new ATOM 196 N TYR A 13 -13.517 -1.815 -3.409 1.00 12.19 N ATOM 197 CA TYR A 13 -14.634 -0.953 -2.897 1.00 12.32 C ATOM 198 C TYR A 13 -15.714 -0.748 -3.990 1.00 14.17 C ATOM 199 O TYR A 13 -15.373 -0.638 -5.150 1.00 14.79 O ATOM 200 CB TYR A 13 -14.065 0.413 -2.500 1.00 14.83 C ATOM 201 CG TYR A 13 -12.769 0.223 -1.748 1.00 15.75 C ATOM 202 CD1 TYR A 13 -12.790 -0.156 -0.400 1.00 18.39 C ATOM 203 CD2 TYR A 13 -11.544 0.427 -2.397 1.00 10.85 C ATOM 204 CE1 TYR A 13 -11.588 -0.331 0.298 1.00 12.56 C ATOM 205 CE2 TYR A 13 -10.343 0.253 -1.700 1.00 10.94 C ATOM 206 CZ TYR A 13 -10.366 -0.126 -0.353 1.00 12.35 C ATOM 207 OH TYR A 13 -9.181 -0.296 0.336 1.00 12.20 O ATOM 0 H TYR A 13 -13.334 -1.746 -4.410 1.00 12.19 H new ATOM 0 HA TYR A 13 -15.091 -1.444 -2.038 1.00 12.32 H new ATOM 0 HB2 TYR A 13 -13.895 1.020 -3.389 1.00 14.83 H new ATOM 0 HB3 TYR A 13 -14.782 0.950 -1.879 1.00 14.83 H new ATOM 0 HD1 TYR A 13 -13.733 -0.313 0.102 1.00 18.39 H new ATOM 0 HD2 TYR A 13 -11.527 0.719 -3.437 1.00 10.85 H new ATOM 0 HE1 TYR A 13 -11.604 -0.624 1.337 1.00 12.56 H new ATOM 0 HE2 TYR A 13 -9.399 0.411 -2.201 1.00 10.94 H new ATOM 0 HH TYR A 13 -8.426 -0.116 -0.262 1.00 12.20 H new ATOM 217 N PRO A 14 -16.990 -0.670 -3.604 1.00 0.00 N ATOM 218 CA PRO A 14 -18.081 -0.439 -4.584 1.00 0.00 C ATOM 219 C PRO A 14 -18.028 1.021 -5.058 1.00 0.00 C ATOM 220 O PRO A 14 -18.748 1.868 -4.564 1.00 0.00 O ATOM 221 CB PRO A 14 -19.376 -0.703 -3.789 1.00 0.00 C ATOM 222 CG PRO A 14 -18.998 -0.658 -2.284 1.00 0.00 C ATOM 223 CD PRO A 14 -17.461 -0.805 -2.199 1.00 0.00 C ATOM 0 HA PRO A 14 -18.009 -1.074 -5.467 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -20.131 0.048 -4.020 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -19.800 -1.672 -4.052 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -19.321 0.280 -1.833 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -19.493 -1.461 -1.738 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -17.025 -0.038 -1.560 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -17.178 -1.770 -1.778 1.00 0.00 H new ATOM 231 N PHE A 15 -17.177 1.328 -5.991 1.00 0.00 N ATOM 232 CA PHE A 15 -17.074 2.740 -6.469 1.00 0.00 C ATOM 233 C PHE A 15 -18.296 3.124 -7.298 1.00 0.00 C ATOM 234 O PHE A 15 -19.110 2.297 -7.657 1.00 0.00 O ATOM 235 CB PHE A 15 -15.831 2.903 -7.337 1.00 0.00 C ATOM 236 CG PHE A 15 -15.570 4.375 -7.629 1.00 0.00 C ATOM 237 CD1 PHE A 15 -15.401 5.296 -6.581 1.00 0.00 C ATOM 238 CD2 PHE A 15 -15.492 4.819 -8.960 1.00 0.00 C ATOM 239 CE1 PHE A 15 -15.157 6.645 -6.865 1.00 0.00 C ATOM 240 CE2 PHE A 15 -15.248 6.169 -9.236 1.00 0.00 C ATOM 241 CZ PHE A 15 -15.080 7.081 -8.190 1.00 0.00 C ATOM 0 H PHE A 15 -16.547 0.667 -6.446 1.00 0.00 H new ATOM 0 HA PHE A 15 -17.014 3.387 -5.594 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -14.968 2.468 -6.832 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -15.960 2.358 -8.272 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -15.459 4.963 -5.555 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -15.621 4.117 -9.771 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -15.028 7.351 -6.058 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -15.189 6.507 -10.260 1.00 0.00 H new ATOM 0 HZ PHE A 15 -14.891 8.122 -8.406 1.00 0.00 H new ATOM 251 N SER A 16 -18.417 4.390 -7.606 1.00 0.00 N ATOM 252 CA SER A 16 -19.572 4.871 -8.423 1.00 0.00 C ATOM 253 C SER A 16 -19.076 5.879 -9.456 1.00 0.00 C ATOM 254 O SER A 16 -18.666 6.974 -9.137 1.00 0.00 O ATOM 255 CB SER A 16 -20.605 5.534 -7.512 1.00 0.00 C ATOM 256 OG SER A 16 -21.219 4.541 -6.699 1.00 0.00 O ATOM 0 H SER A 16 -17.760 5.117 -7.324 1.00 0.00 H new ATOM 0 HA SER A 16 -20.034 4.026 -8.933 1.00 0.00 H new ATOM 0 HB2 SER A 16 -20.126 6.287 -6.887 1.00 0.00 H new ATOM 0 HB3 SER A 16 -21.358 6.048 -8.110 1.00 0.00 H new ATOM 0 HG SER A 16 -21.881 4.962 -6.112 1.00 0.00 H new ATOM 262 N SER A 17 -19.116 5.497 -10.703 1.00 0.00 N ATOM 263 CA SER A 17 -18.658 6.392 -11.802 1.00 0.00 C ATOM 264 C SER A 17 -19.698 6.346 -12.920 1.00 0.00 C ATOM 265 O SER A 17 -19.864 5.336 -13.576 1.00 0.00 O ATOM 266 CB SER A 17 -17.291 5.891 -12.289 1.00 0.00 C ATOM 267 OG SER A 17 -16.489 7.004 -12.652 1.00 0.00 O ATOM 0 H SER A 17 -19.453 4.585 -11.011 1.00 0.00 H new ATOM 0 HA SER A 17 -18.553 7.424 -11.467 1.00 0.00 H new ATOM 0 HB2 SER A 17 -16.801 5.315 -11.504 1.00 0.00 H new ATOM 0 HB3 SER A 17 -17.417 5.225 -13.142 1.00 0.00 H new ATOM 0 HG SER A 17 -15.545 6.741 -12.653 1.00 0.00 H new ATOM 273 N VAL A 18 -20.398 7.431 -13.148 1.00 0.00 N ATOM 274 CA VAL A 18 -21.430 7.453 -14.215 1.00 0.00 C ATOM 275 C VAL A 18 -21.221 8.680 -15.086 1.00 0.00 C ATOM 276 O VAL A 18 -21.715 9.760 -14.837 1.00 0.00 O ATOM 277 CB VAL A 18 -22.821 7.510 -13.565 1.00 0.00 C ATOM 278 CG1 VAL A 18 -23.133 6.172 -12.889 1.00 0.00 C ATOM 279 CG2 VAL A 18 -22.850 8.625 -12.514 1.00 0.00 C ATOM 0 H VAL A 18 -20.293 8.305 -12.633 1.00 0.00 H new ATOM 0 HA VAL A 18 -21.352 6.556 -14.829 1.00 0.00 H new ATOM 0 HB VAL A 18 -23.567 7.710 -14.334 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -24.120 6.218 -12.430 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -23.116 5.376 -13.633 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -22.385 5.969 -12.122 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -23.837 8.665 -12.053 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -22.100 8.423 -11.749 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -22.633 9.581 -12.991 1.00 0.00 H new ATOM 289 N THR A 19 -20.513 8.469 -16.135 1.00 38.32 N ATOM 290 CA THR A 19 -20.235 9.540 -17.136 1.00 37.06 C ATOM 291 C THR A 19 -20.210 8.890 -18.509 1.00 36.60 C ATOM 292 O THR A 19 -20.821 7.866 -18.743 1.00 36.42 O ATOM 293 CB THR A 19 -18.870 10.213 -16.862 1.00 37.05 C ATOM 294 OG1 THR A 19 -18.644 10.263 -15.462 1.00 37.96 O ATOM 295 CG2 THR A 19 -18.864 11.641 -17.424 1.00 37.86 C ATOM 0 H THR A 19 -20.093 7.568 -16.361 1.00 38.32 H new ATOM 0 HA THR A 19 -21.006 10.308 -17.076 1.00 37.06 H new ATOM 0 HB THR A 19 -18.084 9.633 -17.346 1.00 37.05 H new ATOM 0 HG1 THR A 19 -17.969 10.945 -15.264 1.00 37.96 H new ATOM 0 HG21 THR A 19 -17.898 12.106 -17.226 1.00 37.86 H new ATOM 0 HG22 THR A 19 -19.038 11.609 -18.500 1.00 37.86 H new ATOM 0 HG23 THR A 19 -19.652 12.223 -16.946 1.00 37.86 H new ATOM 303 N GLU A 20 -19.477 9.462 -19.400 1.00 36.33 N ATOM 304 CA GLU A 20 -19.347 8.912 -20.726 1.00 36.39 C ATOM 305 C GLU A 20 -18.280 7.809 -20.650 1.00 30.94 C ATOM 306 O GLU A 20 -18.501 6.687 -21.065 1.00 31.73 O ATOM 307 CB GLU A 20 -18.965 10.096 -21.621 1.00 41.00 C ATOM 308 CG GLU A 20 -20.098 11.058 -21.656 1.00 49.07 C ATOM 309 CD GLU A 20 -21.322 10.415 -22.306 1.00 52.00 C ATOM 310 OE1 GLU A 20 -21.151 9.428 -23.001 1.00 54.38 O ATOM 311 OE2 GLU A 20 -22.414 10.921 -22.098 1.00 55.13 O ATOM 0 H GLU A 20 -18.949 10.320 -19.242 1.00 36.33 H new ATOM 0 HA GLU A 20 -20.247 8.452 -21.133 1.00 36.39 H new ATOM 0 HB2 GLU A 20 -18.068 10.584 -21.239 1.00 41.00 H new ATOM 0 HB3 GLU A 20 -18.734 9.748 -22.628 1.00 41.00 H new ATOM 0 HG2 GLU A 20 -20.342 11.379 -20.643 1.00 49.07 H new ATOM 0 HG3 GLU A 20 -19.809 11.950 -22.212 1.00 49.07 H new ATOM 318 N GLU A 21 -17.112 8.135 -20.155 1.00 0.00 N ATOM 319 CA GLU A 21 -16.008 7.166 -20.075 1.00 0.00 C ATOM 320 C GLU A 21 -15.738 6.763 -18.609 1.00 0.00 C ATOM 321 O GLU A 21 -14.623 6.442 -18.247 1.00 0.00 O ATOM 322 CB GLU A 21 -14.800 7.895 -20.668 1.00 0.00 C ATOM 323 CG GLU A 21 -15.045 8.145 -22.145 1.00 0.00 C ATOM 324 CD GLU A 21 -13.877 8.929 -22.750 1.00 0.00 C ATOM 325 OE1 GLU A 21 -13.406 9.847 -22.100 1.00 0.00 O ATOM 326 OE2 GLU A 21 -13.470 8.595 -23.849 1.00 0.00 O ATOM 0 H GLU A 21 -16.885 9.062 -19.796 1.00 0.00 H new ATOM 0 HA GLU A 21 -16.233 6.244 -20.611 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -14.639 8.840 -20.149 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -13.898 7.299 -20.532 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -15.164 7.196 -22.667 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -15.973 8.701 -22.278 1.00 0.00 H new ATOM 333 N GLU A 22 -16.737 6.787 -17.761 1.00 0.00 N ATOM 334 CA GLU A 22 -16.525 6.417 -16.318 1.00 0.00 C ATOM 335 C GLU A 22 -16.998 4.968 -16.074 1.00 0.00 C ATOM 336 O GLU A 22 -17.870 4.469 -16.756 1.00 0.00 O ATOM 337 CB GLU A 22 -17.318 7.417 -15.444 1.00 0.00 C ATOM 338 CG GLU A 22 -16.394 8.537 -14.922 1.00 0.00 C ATOM 339 CD GLU A 22 -15.814 9.317 -16.101 1.00 0.00 C ATOM 340 OE1 GLU A 22 -16.000 8.881 -17.225 1.00 0.00 O ATOM 341 OE2 GLU A 22 -15.194 10.340 -15.861 1.00 0.00 O ATOM 0 H GLU A 22 -17.693 7.047 -18.002 1.00 0.00 H new ATOM 0 HA GLU A 22 -15.468 6.468 -16.058 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -18.131 7.851 -16.026 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -17.772 6.892 -14.604 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -16.953 9.208 -14.269 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -15.589 8.109 -14.325 1.00 0.00 H new ATOM 348 N LEU A 23 -16.394 4.283 -15.119 1.00 11.68 N ATOM 349 CA LEU A 23 -16.763 2.848 -14.832 1.00 7.71 C ATOM 350 C LEU A 23 -17.462 2.727 -13.468 1.00 8.71 C ATOM 351 O LEU A 23 -16.839 2.873 -12.436 1.00 10.83 O ATOM 352 CB LEU A 23 -15.464 2.005 -14.787 1.00 7.16 C ATOM 353 CG LEU A 23 -15.723 0.480 -14.949 1.00 8.46 C ATOM 354 CD1 LEU A 23 -17.008 0.033 -14.247 1.00 6.77 C ATOM 355 CD2 LEU A 23 -15.811 0.108 -16.424 1.00 2.00 C ATOM 0 H LEU A 23 -15.657 4.659 -14.523 1.00 11.68 H new ATOM 0 HA LEU A 23 -17.438 2.496 -15.612 1.00 7.71 H new ATOM 0 HB2 LEU A 23 -14.793 2.340 -15.578 1.00 7.16 H new ATOM 0 HB3 LEU A 23 -14.955 2.183 -13.840 1.00 7.16 H new ATOM 0 HG LEU A 23 -14.882 -0.032 -14.482 1.00 8.46 H new ATOM 0 HD11 LEU A 23 -17.146 -1.039 -14.388 1.00 6.77 H new ATOM 0 HD12 LEU A 23 -16.936 0.252 -13.182 1.00 6.77 H new ATOM 0 HD13 LEU A 23 -17.859 0.567 -14.670 1.00 6.77 H new ATOM 0 HD21 LEU A 23 -15.992 -0.963 -16.519 1.00 2.00 H new ATOM 0 HD22 LEU A 23 -16.629 0.657 -16.890 1.00 2.00 H new ATOM 0 HD23 LEU A 23 -14.874 0.363 -16.920 1.00 2.00 H new ATOM 367 N ASN A 24 -18.730 2.414 -13.449 1.00 0.00 N ATOM 368 CA ASN A 24 -19.438 2.224 -12.143 1.00 0.00 C ATOM 369 C ASN A 24 -19.411 0.726 -11.850 1.00 0.00 C ATOM 370 O ASN A 24 -19.774 -0.069 -12.694 1.00 0.00 O ATOM 371 CB ASN A 24 -20.895 2.702 -12.256 1.00 0.00 C ATOM 372 CG ASN A 24 -21.715 2.178 -11.071 1.00 0.00 C ATOM 373 OD1 ASN A 24 -22.864 1.821 -11.224 1.00 0.00 O ATOM 374 ND2 ASN A 24 -21.164 2.115 -9.888 1.00 0.00 N ATOM 0 H ASN A 24 -19.308 2.281 -14.279 1.00 0.00 H new ATOM 0 HA ASN A 24 -18.957 2.796 -11.350 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -20.928 3.791 -12.278 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -21.329 2.351 -13.192 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -21.700 1.766 -9.094 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -20.198 2.415 -9.759 1.00 0.00 H new ATOM 381 N PHE A 25 -18.964 0.305 -10.691 1.00 6.72 N ATOM 382 CA PHE A 25 -18.912 -1.158 -10.445 1.00 6.82 C ATOM 383 C PHE A 25 -19.026 -1.461 -8.961 1.00 7.56 C ATOM 384 O PHE A 25 -18.495 -0.762 -8.121 1.00 6.07 O ATOM 385 CB PHE A 25 -17.610 -1.739 -11.016 1.00 9.59 C ATOM 386 CG PHE A 25 -16.364 -1.052 -10.450 1.00 9.18 C ATOM 387 CD1 PHE A 25 -16.142 0.330 -10.620 1.00 5.54 C ATOM 388 CD2 PHE A 25 -15.395 -1.818 -9.789 1.00 11.29 C ATOM 389 CE1 PHE A 25 -14.973 0.920 -10.125 1.00 5.32 C ATOM 390 CE2 PHE A 25 -14.228 -1.223 -9.304 1.00 11.14 C ATOM 391 CZ PHE A 25 -14.017 0.144 -9.468 1.00 12.44 C ATOM 0 H PHE A 25 -18.642 0.899 -9.927 1.00 6.72 H new ATOM 0 HA PHE A 25 -19.758 -1.626 -10.949 1.00 6.82 H new ATOM 0 HB2 PHE A 25 -17.565 -2.806 -10.796 1.00 9.59 H new ATOM 0 HB3 PHE A 25 -17.616 -1.637 -12.101 1.00 9.59 H new ATOM 0 HD1 PHE A 25 -16.875 0.935 -11.133 1.00 5.54 H new ATOM 0 HD2 PHE A 25 -15.552 -2.878 -9.653 1.00 11.29 H new ATOM 0 HE1 PHE A 25 -14.810 1.980 -10.252 1.00 5.32 H new ATOM 0 HE2 PHE A 25 -13.487 -1.825 -8.800 1.00 11.14 H new ATOM 0 HZ PHE A 25 -13.116 0.602 -9.088 1.00 12.44 H new ATOM 401 N GLU A 26 -19.724 -2.514 -8.642 1.00 0.00 N ATOM 402 CA GLU A 26 -19.892 -2.899 -7.218 1.00 0.00 C ATOM 403 C GLU A 26 -18.677 -3.715 -6.800 1.00 0.00 C ATOM 404 O GLU A 26 -18.007 -4.310 -7.621 1.00 0.00 O ATOM 405 CB GLU A 26 -21.181 -3.721 -7.047 1.00 0.00 C ATOM 406 CG GLU A 26 -21.002 -5.141 -7.604 1.00 0.00 C ATOM 407 CD GLU A 26 -20.414 -5.074 -9.015 1.00 0.00 C ATOM 408 OE1 GLU A 26 -20.909 -4.287 -9.805 1.00 0.00 O ATOM 409 OE2 GLU A 26 -19.478 -5.808 -9.282 1.00 0.00 O ATOM 0 H GLU A 26 -20.188 -3.127 -9.313 1.00 0.00 H new ATOM 0 HA GLU A 26 -19.972 -2.011 -6.591 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -21.448 -3.771 -5.991 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -22.004 -3.225 -7.561 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -20.344 -5.717 -6.953 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -21.962 -5.657 -7.624 1.00 0.00 H new ATOM 416 N LYS A 27 -18.381 -3.743 -5.543 1.00 8.66 N ATOM 417 CA LYS A 27 -17.206 -4.511 -5.091 1.00 8.68 C ATOM 418 C LYS A 27 -17.327 -5.959 -5.568 1.00 6.65 C ATOM 419 O LYS A 27 -18.410 -6.498 -5.682 1.00 10.38 O ATOM 420 CB LYS A 27 -17.135 -4.428 -3.569 1.00 12.96 C ATOM 421 CG LYS A 27 -18.228 -5.305 -2.916 1.00 12.48 C ATOM 422 CD LYS A 27 -17.645 -6.666 -2.490 1.00 20.52 C ATOM 423 CE LYS A 27 -16.971 -6.541 -1.119 1.00 28.24 C ATOM 424 NZ LYS A 27 -18.016 -6.487 -0.056 1.00 29.03 N ATOM 0 H LYS A 27 -18.903 -3.267 -4.807 1.00 8.66 H new ATOM 0 HA LYS A 27 -16.288 -4.100 -5.511 1.00 8.68 H new ATOM 0 HB2 LYS A 27 -16.152 -4.753 -3.229 1.00 12.96 H new ATOM 0 HB3 LYS A 27 -17.256 -3.392 -3.251 1.00 12.96 H new ATOM 0 HG2 LYS A 27 -18.643 -4.793 -2.048 1.00 12.48 H new ATOM 0 HG3 LYS A 27 -19.048 -5.458 -3.618 1.00 12.48 H new ATOM 0 HD2 LYS A 27 -18.437 -7.413 -2.448 1.00 20.52 H new ATOM 0 HD3 LYS A 27 -16.922 -7.009 -3.230 1.00 20.52 H new ATOM 0 HE2 LYS A 27 -16.307 -7.389 -0.949 1.00 28.24 H new ATOM 0 HE3 LYS A 27 -16.355 -5.642 -1.085 1.00 28.24 H new ATOM 0 HZ1 LYS A 27 -17.586 -6.708 0.865 1.00 29.03 H new ATOM 0 HZ2 LYS A 27 -18.431 -5.534 -0.025 1.00 29.03 H new ATOM 0 HZ3 LYS A 27 -18.761 -7.182 -0.266 1.00 29.03 H new ATOM 438 N GLY A 28 -16.221 -6.587 -5.866 1.00 5.06 N ATOM 439 CA GLY A 28 -16.270 -7.994 -6.359 1.00 4.39 C ATOM 440 C GLY A 28 -16.516 -7.992 -7.869 1.00 6.18 C ATOM 441 O GLY A 28 -17.320 -8.752 -8.370 1.00 5.61 O ATOM 0 H GLY A 28 -15.286 -6.187 -5.789 1.00 5.06 H new ATOM 0 HA2 GLY A 28 -15.334 -8.504 -6.132 1.00 4.39 H new ATOM 0 HA3 GLY A 28 -17.063 -8.542 -5.850 1.00 4.39 H new ATOM 445 N GLU A 29 -15.832 -7.138 -8.595 1.00 7.06 N ATOM 446 CA GLU A 29 -16.020 -7.069 -10.082 1.00 6.19 C ATOM 447 C GLU A 29 -14.694 -7.386 -10.778 1.00 6.67 C ATOM 448 O GLU A 29 -13.740 -6.640 -10.687 1.00 8.12 O ATOM 449 CB GLU A 29 -16.448 -5.637 -10.466 1.00 6.64 C ATOM 450 CG GLU A 29 -17.060 -5.541 -11.899 1.00 9.52 C ATOM 451 CD GLU A 29 -16.779 -6.797 -12.739 1.00 8.21 C ATOM 452 OE1 GLU A 29 -17.529 -7.751 -12.614 1.00 6.83 O ATOM 453 OE2 GLU A 29 -15.826 -6.777 -13.495 1.00 8.99 O ATOM 0 H GLU A 29 -15.147 -6.482 -8.219 1.00 7.06 H new ATOM 0 HA GLU A 29 -16.780 -7.788 -10.388 1.00 6.19 H new ATOM 0 HB2 GLU A 29 -17.178 -5.276 -9.741 1.00 6.64 H new ATOM 0 HB3 GLU A 29 -15.583 -4.977 -10.402 1.00 6.64 H new ATOM 0 HG2 GLU A 29 -18.137 -5.391 -11.822 1.00 9.52 H new ATOM 0 HG3 GLU A 29 -16.652 -4.668 -12.408 1.00 9.52 H new ATOM 460 N THR A 30 -14.633 -8.465 -11.498 1.00 0.00 N ATOM 461 CA THR A 30 -13.378 -8.805 -12.226 1.00 0.00 C ATOM 462 C THR A 30 -13.262 -7.849 -13.398 1.00 0.00 C ATOM 463 O THR A 30 -14.008 -7.963 -14.349 1.00 0.00 O ATOM 464 CB THR A 30 -13.504 -10.221 -12.792 1.00 0.00 C ATOM 465 OG1 THR A 30 -14.077 -11.076 -11.811 1.00 0.00 O ATOM 466 CG2 THR A 30 -12.124 -10.737 -13.185 1.00 0.00 C ATOM 0 H THR A 30 -15.397 -9.130 -11.616 1.00 0.00 H new ATOM 0 HA THR A 30 -12.517 -8.737 -11.562 1.00 0.00 H new ATOM 0 HB THR A 30 -14.146 -10.205 -13.673 1.00 0.00 H new ATOM 0 HG1 THR A 30 -14.159 -11.982 -12.175 1.00 0.00 H new ATOM 0 HG21 THR A 30 -12.214 -11.746 -13.588 1.00 0.00 H new ATOM 0 HG22 THR A 30 -11.692 -10.081 -13.941 1.00 0.00 H new ATOM 0 HG23 THR A 30 -11.478 -10.753 -12.307 1.00 0.00 H new ATOM 474 N MET A 31 -12.351 -6.915 -13.364 1.00 0.00 N ATOM 475 CA MET A 31 -12.240 -5.978 -14.518 1.00 0.00 C ATOM 476 C MET A 31 -11.024 -6.312 -15.356 1.00 0.00 C ATOM 477 O MET A 31 -9.936 -6.558 -14.880 1.00 0.00 O ATOM 478 CB MET A 31 -12.227 -4.524 -14.025 1.00 0.00 C ATOM 479 CG MET A 31 -13.653 -4.137 -13.537 1.00 0.00 C ATOM 480 SD MET A 31 -13.583 -3.550 -11.824 1.00 0.00 S ATOM 481 CE MET A 31 -12.970 -1.886 -12.190 1.00 0.00 C ATOM 0 H MET A 31 -11.690 -6.761 -12.603 1.00 0.00 H new ATOM 0 HA MET A 31 -13.113 -6.094 -15.160 1.00 0.00 H new ATOM 0 HB2 MET A 31 -11.508 -4.409 -13.214 1.00 0.00 H new ATOM 0 HB3 MET A 31 -11.911 -3.858 -14.828 1.00 0.00 H new ATOM 0 HG2 MET A 31 -14.068 -3.361 -14.180 1.00 0.00 H new ATOM 0 HG3 MET A 31 -14.317 -4.998 -13.608 1.00 0.00 H new ATOM 0 HE1 MET A 31 -12.455 -1.487 -11.316 1.00 0.00 H new ATOM 0 HE2 MET A 31 -12.277 -1.930 -13.030 1.00 0.00 H new ATOM 0 HE3 MET A 31 -13.808 -1.237 -12.445 1.00 0.00 H new ATOM 491 N GLU A 32 -11.261 -6.338 -16.626 1.00 0.00 N ATOM 492 CA GLU A 32 -10.227 -6.671 -17.622 1.00 0.00 C ATOM 493 C GLU A 32 -9.561 -5.360 -18.043 1.00 0.00 C ATOM 494 O GLU A 32 -10.122 -4.568 -18.773 1.00 0.00 O ATOM 495 CB GLU A 32 -10.932 -7.373 -18.811 1.00 0.00 C ATOM 496 CG GLU A 32 -12.472 -7.242 -18.672 1.00 0.00 C ATOM 497 CD GLU A 32 -13.138 -7.697 -19.971 1.00 0.00 C ATOM 498 OE1 GLU A 32 -12.442 -7.779 -20.971 1.00 0.00 O ATOM 499 OE2 GLU A 32 -14.329 -7.957 -19.946 1.00 0.00 O ATOM 0 H GLU A 32 -12.174 -6.132 -17.031 1.00 0.00 H new ATOM 0 HA GLU A 32 -9.461 -7.341 -17.233 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -10.605 -6.929 -19.751 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -10.650 -8.426 -18.841 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -12.826 -7.847 -17.837 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -12.742 -6.209 -18.454 1.00 0.00 H new ATOM 506 N VAL A 33 -8.388 -5.108 -17.539 1.00 0.00 N ATOM 507 CA VAL A 33 -7.701 -3.826 -17.856 1.00 0.00 C ATOM 508 C VAL A 33 -7.393 -3.709 -19.355 1.00 0.00 C ATOM 509 O VAL A 33 -6.352 -4.137 -19.813 1.00 0.00 O ATOM 510 CB VAL A 33 -6.395 -3.741 -17.058 1.00 0.00 C ATOM 511 CG1 VAL A 33 -5.947 -2.278 -16.961 1.00 0.00 C ATOM 512 CG2 VAL A 33 -6.621 -4.294 -15.648 1.00 0.00 C ATOM 0 H VAL A 33 -7.874 -5.735 -16.920 1.00 0.00 H new ATOM 0 HA VAL A 33 -8.365 -3.006 -17.583 1.00 0.00 H new ATOM 0 HB VAL A 33 -5.626 -4.326 -17.562 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -5.018 -2.219 -16.393 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -5.786 -1.880 -17.963 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -6.718 -1.694 -16.458 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -5.692 -4.234 -15.080 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -7.392 -3.708 -15.147 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -6.940 -5.334 -15.712 1.00 0.00 H new ATOM 522 N ILE A 34 -8.274 -3.115 -20.124 1.00 0.00 N ATOM 523 CA ILE A 34 -7.986 -2.963 -21.588 1.00 0.00 C ATOM 524 C ILE A 34 -6.697 -2.149 -21.798 1.00 0.00 C ATOM 525 O ILE A 34 -5.830 -2.534 -22.558 1.00 0.00 O ATOM 526 CB ILE A 34 -9.132 -2.219 -22.304 1.00 0.00 C ATOM 527 CG1 ILE A 34 -10.399 -3.091 -22.323 1.00 0.00 C ATOM 528 CG2 ILE A 34 -8.702 -1.904 -23.751 1.00 0.00 C ATOM 529 CD1 ILE A 34 -11.582 -2.302 -22.913 1.00 0.00 C ATOM 0 H ILE A 34 -9.166 -2.734 -19.809 1.00 0.00 H new ATOM 0 HA ILE A 34 -7.879 -3.966 -22.002 1.00 0.00 H new ATOM 0 HB ILE A 34 -9.349 -1.293 -21.771 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -10.221 -3.989 -22.914 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -10.639 -3.417 -21.311 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -9.507 -1.378 -24.264 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -7.810 -1.277 -23.737 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -8.484 -2.834 -24.276 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -12.472 -2.932 -22.920 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -11.769 -1.417 -22.305 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -11.344 -1.998 -23.932 1.00 0.00 H new ATOM 541 N GLU A 35 -6.583 -1.004 -21.165 1.00 0.00 N ATOM 542 CA GLU A 35 -5.369 -0.151 -21.375 1.00 0.00 C ATOM 543 C GLU A 35 -5.020 0.605 -20.111 1.00 0.00 C ATOM 544 O GLU A 35 -5.838 0.797 -19.231 1.00 0.00 O ATOM 545 CB GLU A 35 -5.646 0.853 -22.509 1.00 0.00 C ATOM 546 CG GLU A 35 -4.325 1.328 -23.127 1.00 0.00 C ATOM 547 CD GLU A 35 -3.759 0.234 -24.034 1.00 0.00 C ATOM 548 OE1 GLU A 35 -4.499 -0.252 -24.875 1.00 0.00 O ATOM 549 OE2 GLU A 35 -2.597 -0.099 -23.874 1.00 0.00 O ATOM 0 H GLU A 35 -7.273 -0.626 -20.516 1.00 0.00 H new ATOM 0 HA GLU A 35 -4.530 -0.795 -21.639 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -6.267 0.387 -23.274 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -6.203 1.706 -22.122 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -4.488 2.241 -23.700 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -3.610 1.568 -22.340 1.00 0.00 H new ATOM 556 N LYS A 36 -3.779 1.010 -20.007 1.00 0.00 N ATOM 557 CA LYS A 36 -3.313 1.731 -18.793 1.00 0.00 C ATOM 558 C LYS A 36 -2.461 2.957 -19.178 1.00 0.00 C ATOM 559 O LYS A 36 -1.289 3.006 -18.858 1.00 0.00 O ATOM 560 CB LYS A 36 -2.451 0.747 -17.973 1.00 0.00 C ATOM 561 CG LYS A 36 -3.052 -0.680 -18.030 1.00 0.00 C ATOM 562 CD LYS A 36 -2.439 -1.491 -19.185 1.00 0.00 C ATOM 563 CE LYS A 36 -3.308 -2.727 -19.478 1.00 0.00 C ATOM 564 NZ LYS A 36 -4.708 -2.319 -19.784 1.00 0.00 N ATOM 0 H LYS A 36 -3.065 0.868 -20.721 1.00 0.00 H new ATOM 0 HA LYS A 36 -4.170 2.082 -18.218 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -1.433 0.735 -18.362 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -2.392 1.082 -16.937 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -2.871 -1.193 -17.085 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -4.133 -0.618 -18.158 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -2.363 -0.869 -20.077 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -1.427 -1.801 -18.926 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -2.892 -3.280 -20.320 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -3.298 -3.398 -18.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -5.367 -3.032 -19.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -4.906 -1.399 -19.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -4.829 -2.240 -20.814 1.00 0.00 H new ATOM 578 N PRO A 37 -3.070 3.933 -19.819 1.00 0.00 N ATOM 579 CA PRO A 37 -2.365 5.166 -20.193 1.00 0.00 C ATOM 580 C PRO A 37 -2.168 6.022 -18.948 1.00 0.00 C ATOM 581 O PRO A 37 -2.789 5.814 -17.927 1.00 0.00 O ATOM 582 CB PRO A 37 -3.295 5.881 -21.185 1.00 0.00 C ATOM 583 CG PRO A 37 -4.674 5.194 -21.068 1.00 0.00 C ATOM 584 CD PRO A 37 -4.482 3.895 -20.245 1.00 0.00 C ATOM 0 HA PRO A 37 -1.385 4.974 -20.630 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -3.370 6.943 -20.950 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -2.909 5.806 -22.202 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -5.391 5.854 -20.580 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -5.073 4.966 -22.056 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -5.155 3.865 -19.388 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -4.692 3.010 -20.846 1.00 0.00 H new ATOM 592 N GLU A 38 -1.321 6.991 -19.042 1.00 0.00 N ATOM 593 CA GLU A 38 -1.084 7.891 -17.874 1.00 0.00 C ATOM 594 C GLU A 38 -2.032 9.087 -17.992 1.00 0.00 C ATOM 595 O GLU A 38 -2.691 9.453 -17.046 1.00 0.00 O ATOM 596 CB GLU A 38 0.370 8.379 -17.893 1.00 0.00 C ATOM 597 CG GLU A 38 0.711 9.088 -16.574 1.00 0.00 C ATOM 598 CD GLU A 38 0.159 10.518 -16.579 1.00 0.00 C ATOM 599 OE1 GLU A 38 -0.254 10.975 -17.631 1.00 0.00 O ATOM 600 OE2 GLU A 38 0.162 11.131 -15.525 1.00 0.00 O ATOM 0 H GLU A 38 -0.775 7.208 -19.876 1.00 0.00 H new ATOM 0 HA GLU A 38 -1.266 7.359 -16.940 1.00 0.00 H new ATOM 0 HB2 GLU A 38 1.042 7.534 -18.044 1.00 0.00 H new ATOM 0 HB3 GLU A 38 0.521 9.061 -18.730 1.00 0.00 H new ATOM 0 HG2 GLU A 38 0.291 8.532 -15.736 1.00 0.00 H new ATOM 0 HG3 GLU A 38 1.792 9.109 -16.434 1.00 0.00 H new ATOM 607 N ASN A 39 -2.104 9.662 -19.171 1.00 0.00 N ATOM 608 CA ASN A 39 -3.003 10.830 -19.435 1.00 0.00 C ATOM 609 C ASN A 39 -2.665 11.976 -18.483 1.00 0.00 C ATOM 610 O ASN A 39 -2.286 13.052 -18.899 1.00 0.00 O ATOM 611 CB ASN A 39 -4.471 10.406 -19.254 1.00 0.00 C ATOM 612 CG ASN A 39 -4.953 9.658 -20.500 1.00 0.00 C ATOM 613 OD1 ASN A 39 -4.212 9.493 -21.448 1.00 0.00 O ATOM 614 ND2 ASN A 39 -6.172 9.195 -20.535 1.00 0.00 N ATOM 0 H ASN A 39 -1.562 9.361 -19.981 1.00 0.00 H new ATOM 0 HA ASN A 39 -2.855 11.171 -20.460 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -4.569 9.768 -18.375 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -5.094 11.284 -19.082 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -6.504 8.694 -21.359 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -6.793 9.334 -19.738 1.00 0.00 H new ATOM 621 N ASP A 40 -2.771 11.725 -17.214 1.00 0.00 N ATOM 622 CA ASP A 40 -2.443 12.756 -16.183 1.00 0.00 C ATOM 623 C ASP A 40 -2.966 12.375 -14.772 1.00 0.00 C ATOM 624 O ASP A 40 -2.233 12.479 -13.808 1.00 0.00 O ATOM 625 CB ASP A 40 -2.928 14.184 -16.600 1.00 0.00 C ATOM 626 CG ASP A 40 -1.736 15.044 -17.044 1.00 0.00 C ATOM 627 OD1 ASP A 40 -0.818 14.493 -17.628 1.00 0.00 O ATOM 628 OD2 ASP A 40 -1.766 16.240 -16.795 1.00 0.00 O ATOM 0 H ASP A 40 -3.078 10.830 -16.833 1.00 0.00 H new ATOM 0 HA ASP A 40 -1.355 12.784 -16.123 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -3.652 14.107 -17.411 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -3.437 14.661 -15.763 1.00 0.00 H new ATOM 633 N PRO A 41 -4.193 11.963 -14.687 1.00 0.00 N ATOM 634 CA PRO A 41 -4.818 11.582 -13.410 1.00 0.00 C ATOM 635 C PRO A 41 -4.180 10.291 -12.879 1.00 0.00 C ATOM 636 O PRO A 41 -3.627 10.285 -11.800 1.00 0.00 O ATOM 637 CB PRO A 41 -6.310 11.367 -13.758 1.00 0.00 C ATOM 638 CG PRO A 41 -6.454 11.534 -15.298 1.00 0.00 C ATOM 639 CD PRO A 41 -5.047 11.847 -15.852 1.00 0.00 C ATOM 0 HA PRO A 41 -4.689 12.334 -12.632 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -6.638 10.375 -13.447 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -6.935 12.089 -13.233 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -6.852 10.625 -15.749 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -7.150 12.339 -15.535 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -4.701 11.055 -16.516 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -5.049 12.770 -16.431 1.00 0.00 H new ATOM 647 N GLU A 42 -4.275 9.224 -13.659 1.00 0.00 N ATOM 648 CA GLU A 42 -3.710 7.863 -13.302 1.00 0.00 C ATOM 649 C GLU A 42 -4.794 6.794 -13.550 1.00 0.00 C ATOM 650 O GLU A 42 -4.645 5.646 -13.189 1.00 0.00 O ATOM 651 CB GLU A 42 -3.241 7.791 -11.830 1.00 0.00 C ATOM 652 CG GLU A 42 -1.809 8.350 -11.689 1.00 0.00 C ATOM 653 CD GLU A 42 -1.448 8.498 -10.206 1.00 0.00 C ATOM 654 OE1 GLU A 42 -2.250 8.099 -9.378 1.00 0.00 O ATOM 655 OE2 GLU A 42 -0.375 9.006 -9.927 1.00 0.00 O ATOM 0 H GLU A 42 -4.741 9.243 -14.566 1.00 0.00 H new ATOM 0 HA GLU A 42 -2.837 7.684 -13.930 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -3.923 8.359 -11.197 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -3.270 6.758 -11.483 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -1.100 7.684 -12.180 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -1.736 9.316 -12.188 1.00 0.00 H new ATOM 662 N TRP A 43 -5.886 7.164 -14.171 1.00 14.29 N ATOM 663 CA TRP A 43 -6.975 6.174 -14.437 1.00 10.30 C ATOM 664 C TRP A 43 -6.548 5.186 -15.533 1.00 6.82 C ATOM 665 O TRP A 43 -5.577 5.403 -16.229 1.00 6.91 O ATOM 666 CB TRP A 43 -8.236 6.911 -14.877 1.00 13.39 C ATOM 667 CG TRP A 43 -8.495 8.078 -13.979 1.00 11.71 C ATOM 668 CD1 TRP A 43 -7.941 8.267 -12.761 1.00 13.93 C ATOM 669 CD2 TRP A 43 -9.377 9.215 -14.206 1.00 7.44 C ATOM 670 NE1 TRP A 43 -8.423 9.443 -12.229 1.00 6.63 N ATOM 671 CE2 TRP A 43 -9.308 10.065 -13.079 1.00 8.43 C ATOM 672 CE3 TRP A 43 -10.219 9.589 -15.268 1.00 6.37 C ATOM 673 CZ2 TRP A 43 -10.045 11.239 -13.004 1.00 11.15 C ATOM 674 CZ3 TRP A 43 -10.966 10.777 -15.198 1.00 2.36 C ATOM 675 CH2 TRP A 43 -10.879 11.600 -14.065 1.00 8.17 C ATOM 0 H TRP A 43 -6.071 8.110 -14.506 1.00 14.29 H new ATOM 0 HA TRP A 43 -7.174 5.617 -13.522 1.00 10.30 H new ATOM 0 HB2 TRP A 43 -8.125 7.253 -15.906 1.00 13.39 H new ATOM 0 HB3 TRP A 43 -9.088 6.232 -14.857 1.00 13.39 H new ATOM 0 HD1 TRP A 43 -7.235 7.604 -12.282 1.00 13.93 H new ATOM 0 HE1 TRP A 43 -8.156 9.808 -11.315 1.00 6.63 H new ATOM 0 HE3 TRP A 43 -10.292 8.960 -16.143 1.00 6.37 H new ATOM 0 HZ2 TRP A 43 -9.974 11.870 -12.130 1.00 11.15 H new ATOM 0 HZ3 TRP A 43 -11.609 11.058 -16.019 1.00 2.36 H new ATOM 0 HH2 TRP A 43 -11.456 12.511 -14.013 1.00 8.17 H new ATOM 686 N TRP A 44 -7.273 4.100 -15.673 1.00 6.17 N ATOM 687 CA TRP A 44 -6.936 3.057 -16.701 1.00 5.58 C ATOM 688 C TRP A 44 -8.188 2.729 -17.522 1.00 6.91 C ATOM 689 O TRP A 44 -9.279 2.658 -16.988 1.00 8.86 O ATOM 690 CB TRP A 44 -6.531 1.748 -15.979 1.00 2.99 C ATOM 691 CG TRP A 44 -5.106 1.726 -15.481 1.00 7.04 C ATOM 692 CD1 TRP A 44 -4.136 2.653 -15.701 1.00 5.83 C ATOM 693 CD2 TRP A 44 -4.484 0.683 -14.670 1.00 5.23 C ATOM 694 NE1 TRP A 44 -2.974 2.238 -15.071 1.00 4.61 N ATOM 695 CE2 TRP A 44 -3.139 1.034 -14.429 1.00 9.27 C ATOM 696 CE3 TRP A 44 -4.960 -0.525 -14.126 1.00 6.86 C ATOM 697 CZ2 TRP A 44 -2.292 0.220 -13.676 1.00 11.14 C ATOM 698 CZ3 TRP A 44 -4.111 -1.348 -13.367 1.00 11.80 C ATOM 699 CH2 TRP A 44 -2.780 -0.978 -13.144 1.00 11.72 C ATOM 0 H TRP A 44 -8.097 3.888 -15.110 1.00 6.17 H new ATOM 0 HA TRP A 44 -6.133 3.433 -17.334 1.00 5.58 H new ATOM 0 HB2 TRP A 44 -7.201 1.591 -15.134 1.00 2.99 H new ATOM 0 HB3 TRP A 44 -6.678 0.911 -16.661 1.00 2.99 H new ATOM 0 HD1 TRP A 44 -4.252 3.562 -16.272 1.00 5.83 H new ATOM 0 HE1 TRP A 44 -2.100 2.764 -15.082 1.00 4.61 H new ATOM 0 HE3 TRP A 44 -5.985 -0.821 -14.293 1.00 6.86 H new ATOM 0 HZ2 TRP A 44 -1.267 0.513 -13.505 1.00 11.14 H new ATOM 0 HZ3 TRP A 44 -4.488 -2.272 -12.953 1.00 11.80 H new ATOM 0 HH2 TRP A 44 -2.131 -1.616 -12.562 1.00 11.72 H new ATOM 710 N LYS A 45 -8.045 2.447 -18.794 1.00 0.00 N ATOM 711 CA LYS A 45 -9.244 2.037 -19.568 1.00 0.00 C ATOM 712 C LYS A 45 -9.472 0.584 -19.217 1.00 0.00 C ATOM 713 O LYS A 45 -8.831 -0.288 -19.765 1.00 0.00 O ATOM 714 CB LYS A 45 -9.017 2.136 -21.083 1.00 0.00 C ATOM 715 CG LYS A 45 -10.361 1.872 -21.821 1.00 0.00 C ATOM 716 CD LYS A 45 -10.169 2.022 -23.348 1.00 0.00 C ATOM 717 CE LYS A 45 -11.499 1.777 -24.075 1.00 0.00 C ATOM 718 NZ LYS A 45 -12.488 2.811 -23.660 1.00 0.00 N ATOM 0 H LYS A 45 -7.169 2.483 -19.315 1.00 0.00 H new ATOM 0 HA LYS A 45 -10.085 2.686 -19.324 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -8.634 3.123 -21.342 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -8.267 1.411 -21.398 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -10.721 0.870 -21.589 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -11.120 2.572 -21.472 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -9.798 3.021 -23.579 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -9.418 1.314 -23.699 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -11.349 1.814 -25.154 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -11.877 0.782 -23.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -13.265 2.845 -24.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -12.868 2.571 -22.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -12.022 3.740 -23.618 1.00 0.00 H new ATOM 732 N CYS A 46 -10.338 0.308 -18.289 1.00 0.00 N ATOM 733 CA CYS A 46 -10.564 -1.107 -17.884 1.00 0.00 C ATOM 734 C CYS A 46 -11.975 -1.529 -18.210 1.00 0.00 C ATOM 735 O CYS A 46 -12.939 -0.890 -17.835 1.00 0.00 O ATOM 736 CB CYS A 46 -10.323 -1.249 -16.379 1.00 0.00 C ATOM 737 SG CYS A 46 -11.702 -0.506 -15.470 1.00 0.00 S ATOM 0 H CYS A 46 -10.900 0.999 -17.792 1.00 0.00 H new ATOM 0 HA CYS A 46 -9.871 -1.746 -18.432 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -10.225 -2.302 -16.114 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -9.388 -0.762 -16.103 1.00 0.00 H new ATOM 0 HG CYS A 46 -12.692 -0.291 -16.284 1.00 0.00 H new ATOM 743 N LYS A 47 -12.105 -2.629 -18.880 1.00 0.00 N ATOM 744 CA LYS A 47 -13.450 -3.129 -19.204 1.00 0.00 C ATOM 745 C LYS A 47 -13.935 -3.880 -17.981 1.00 0.00 C ATOM 746 O LYS A 47 -13.128 -4.434 -17.265 1.00 0.00 O ATOM 747 CB LYS A 47 -13.368 -4.091 -20.392 1.00 0.00 C ATOM 748 CG LYS A 47 -14.672 -4.886 -20.529 1.00 0.00 C ATOM 749 CD LYS A 47 -14.727 -5.549 -21.908 1.00 0.00 C ATOM 750 CE LYS A 47 -16.066 -6.271 -22.070 1.00 0.00 C ATOM 751 NZ LYS A 47 -16.240 -6.688 -23.489 1.00 0.00 N ATOM 0 H LYS A 47 -11.332 -3.203 -19.217 1.00 0.00 H new ATOM 0 HA LYS A 47 -14.124 -2.313 -19.466 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -13.178 -3.532 -21.308 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -12.530 -4.775 -20.257 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -14.732 -5.644 -19.748 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -15.528 -4.225 -20.398 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -14.609 -4.799 -22.690 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -13.904 -6.256 -22.017 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -16.102 -7.143 -21.417 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -16.883 -5.615 -21.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -17.151 -7.179 -23.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -16.224 -5.848 -24.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -15.467 -7.329 -23.760 1.00 0.00 H new ATOM 765 N ASN A 48 -15.221 -3.941 -17.709 1.00 0.00 N ATOM 766 CA ASN A 48 -15.634 -4.742 -16.503 1.00 0.00 C ATOM 767 C ASN A 48 -16.033 -6.132 -16.995 1.00 0.00 C ATOM 768 O ASN A 48 -16.783 -6.244 -17.937 1.00 0.00 O ATOM 769 CB ASN A 48 -16.745 -4.038 -15.674 1.00 0.00 C ATOM 770 CG ASN A 48 -18.153 -4.089 -16.286 1.00 0.00 C ATOM 771 OD1 ASN A 48 -18.950 -3.214 -16.016 1.00 0.00 O ATOM 772 ND2 ASN A 48 -18.538 -5.076 -17.037 1.00 0.00 N ATOM 0 H ASN A 48 -15.971 -3.496 -18.238 1.00 0.00 H new ATOM 0 HA ASN A 48 -14.803 -4.831 -15.804 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -16.780 -4.493 -14.684 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -16.465 -2.994 -15.535 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -19.495 -5.106 -17.389 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -17.883 -5.821 -17.275 1.00 0.00 H new ATOM 779 N ALA A 49 -15.513 -7.216 -16.440 1.00 0.00 N ATOM 780 CA ALA A 49 -15.911 -8.539 -16.988 1.00 0.00 C ATOM 781 C ALA A 49 -17.434 -8.588 -17.038 1.00 0.00 C ATOM 782 O ALA A 49 -18.022 -9.368 -17.762 1.00 0.00 O ATOM 783 CB ALA A 49 -15.385 -9.669 -16.104 1.00 0.00 C ATOM 0 H ALA A 49 -14.855 -7.231 -15.660 1.00 0.00 H new ATOM 0 HA ALA A 49 -15.489 -8.668 -17.985 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -15.687 -10.629 -16.522 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -14.297 -9.619 -16.059 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -15.795 -9.566 -15.099 1.00 0.00 H new ATOM 789 N ARG A 50 -18.079 -7.721 -16.297 1.00 0.00 N ATOM 790 CA ARG A 50 -19.560 -7.686 -16.337 1.00 0.00 C ATOM 791 C ARG A 50 -19.940 -7.263 -17.753 1.00 0.00 C ATOM 792 O ARG A 50 -21.090 -7.263 -18.146 1.00 0.00 O ATOM 793 CB ARG A 50 -20.099 -6.701 -15.270 1.00 0.00 C ATOM 794 CG ARG A 50 -20.551 -7.477 -14.009 1.00 0.00 C ATOM 795 CD ARG A 50 -20.640 -6.549 -12.764 1.00 0.00 C ATOM 796 NE ARG A 50 -21.997 -6.647 -12.119 1.00 0.00 N ATOM 797 CZ ARG A 50 -23.101 -6.478 -12.801 1.00 0.00 C ATOM 798 NH1 ARG A 50 -23.058 -6.136 -14.057 1.00 0.00 N ATOM 799 NH2 ARG A 50 -24.256 -6.627 -12.211 1.00 0.00 N ATOM 0 H ARG A 50 -17.641 -7.043 -15.673 1.00 0.00 H new ATOM 0 HA ARG A 50 -19.999 -8.656 -16.106 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -19.325 -5.981 -15.005 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -20.936 -6.134 -15.677 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -21.523 -7.934 -14.192 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -19.850 -8.287 -13.810 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -19.870 -6.824 -12.044 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -20.446 -5.518 -13.059 1.00 0.00 H new ATOM 0 HE ARG A 50 -22.058 -6.851 -11.121 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -22.158 -5.998 -14.517 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -23.924 -6.007 -14.580 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -24.295 -6.874 -11.222 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -25.119 -6.496 -12.739 1.00 0.00 H new ATOM 813 N GLY A 51 -18.938 -6.953 -18.533 1.00 8.07 N ATOM 814 CA GLY A 51 -19.135 -6.576 -19.951 1.00 7.79 C ATOM 815 C GLY A 51 -19.255 -5.054 -20.137 1.00 9.08 C ATOM 816 O GLY A 51 -19.974 -4.607 -21.011 1.00 14.41 O ATOM 0 H GLY A 51 -17.964 -6.948 -18.230 1.00 8.07 H new ATOM 0 HA2 GLY A 51 -18.299 -6.948 -20.543 1.00 7.79 H new ATOM 0 HA3 GLY A 51 -20.035 -7.059 -20.332 1.00 7.79 H new ATOM 820 N GLN A 52 -18.564 -4.241 -19.355 1.00 0.00 N ATOM 821 CA GLN A 52 -18.675 -2.743 -19.561 1.00 0.00 C ATOM 822 C GLN A 52 -17.320 -2.054 -19.458 1.00 0.00 C ATOM 823 O GLN A 52 -16.372 -2.621 -19.005 1.00 0.00 O ATOM 824 CB GLN A 52 -19.739 -2.146 -18.593 1.00 0.00 C ATOM 825 CG GLN A 52 -19.158 -1.035 -17.702 1.00 0.00 C ATOM 826 CD GLN A 52 -20.190 -0.609 -16.677 1.00 0.00 C ATOM 827 OE1 GLN A 52 -20.640 -1.398 -15.871 1.00 0.00 O ATOM 828 NE2 GLN A 52 -20.588 0.628 -16.680 1.00 0.00 N ATOM 0 H GLN A 52 -17.943 -4.537 -18.602 1.00 0.00 H new ATOM 0 HA GLN A 52 -19.019 -2.555 -20.578 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -20.571 -1.746 -19.173 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -20.141 -2.940 -17.964 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -18.259 -1.391 -17.200 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -18.865 -0.181 -18.313 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -20.206 1.285 -17.360 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -21.283 0.942 -16.002 1.00 0.00 H new ATOM 837 N VAL A 53 -17.222 -0.823 -19.927 1.00 0.00 N ATOM 838 CA VAL A 53 -15.899 -0.115 -19.896 1.00 0.00 C ATOM 839 C VAL A 53 -16.013 1.310 -19.353 1.00 0.00 C ATOM 840 O VAL A 53 -17.043 1.950 -19.420 1.00 0.00 O ATOM 841 CB VAL A 53 -15.325 -0.053 -21.322 1.00 0.00 C ATOM 842 CG1 VAL A 53 -13.825 0.242 -21.267 1.00 0.00 C ATOM 843 CG2 VAL A 53 -15.564 -1.383 -22.048 1.00 0.00 C ATOM 0 H VAL A 53 -17.993 -0.287 -20.324 1.00 0.00 H new ATOM 0 HA VAL A 53 -15.244 -0.677 -19.230 1.00 0.00 H new ATOM 0 HB VAL A 53 -15.829 0.744 -21.868 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -13.425 0.284 -22.280 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -13.660 1.199 -20.771 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -13.319 -0.547 -20.710 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -15.153 -1.326 -23.056 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -15.074 -2.189 -21.501 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -16.635 -1.580 -22.103 1.00 0.00 H new ATOM 853 N GLY A 54 -14.920 1.792 -18.818 1.00 3.62 N ATOM 854 CA GLY A 54 -14.873 3.170 -18.251 1.00 3.70 C ATOM 855 C GLY A 54 -13.534 3.377 -17.528 1.00 4.69 C ATOM 856 O GLY A 54 -12.900 2.433 -17.098 1.00 7.25 O ATOM 0 H GLY A 54 -14.042 1.277 -18.750 1.00 3.62 H new ATOM 0 HA2 GLY A 54 -14.988 3.907 -19.046 1.00 3.70 H new ATOM 0 HA3 GLY A 54 -15.701 3.318 -17.557 1.00 3.70 H new ATOM 860 N LEU A 55 -13.111 4.602 -17.379 1.00 0.00 N ATOM 861 CA LEU A 55 -11.824 4.876 -16.668 1.00 0.00 C ATOM 862 C LEU A 55 -12.027 4.622 -15.169 1.00 0.00 C ATOM 863 O LEU A 55 -13.118 4.766 -14.655 1.00 0.00 O ATOM 864 CB LEU A 55 -11.434 6.345 -16.919 1.00 0.00 C ATOM 865 CG LEU A 55 -10.585 6.468 -18.198 1.00 0.00 C ATOM 866 CD1 LEU A 55 -9.222 5.746 -18.035 1.00 0.00 C ATOM 867 CD2 LEU A 55 -11.368 5.870 -19.375 1.00 0.00 C ATOM 0 H LEU A 55 -13.601 5.430 -17.719 1.00 0.00 H new ATOM 0 HA LEU A 55 -11.029 4.226 -17.032 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -12.333 6.955 -17.012 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -10.875 6.730 -16.066 1.00 0.00 H new ATOM 0 HG LEU A 55 -10.379 7.521 -18.388 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -8.644 5.849 -18.953 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -8.671 6.192 -17.207 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -9.392 4.689 -17.830 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -10.775 5.952 -20.286 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -11.581 4.820 -19.174 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -12.305 6.412 -19.502 1.00 0.00 H new ATOM 879 N VAL A 56 -10.992 4.236 -14.461 1.00 0.00 N ATOM 880 CA VAL A 56 -11.151 3.964 -12.998 1.00 0.00 C ATOM 881 C VAL A 56 -9.780 4.123 -12.296 1.00 0.00 C ATOM 882 O VAL A 56 -8.795 3.636 -12.814 1.00 0.00 O ATOM 883 CB VAL A 56 -11.664 2.517 -12.834 1.00 0.00 C ATOM 884 CG1 VAL A 56 -10.521 1.510 -13.029 1.00 0.00 C ATOM 885 CG2 VAL A 56 -12.260 2.322 -11.440 1.00 0.00 C ATOM 0 H VAL A 56 -10.051 4.099 -14.830 1.00 0.00 H new ATOM 0 HA VAL A 56 -11.857 4.663 -12.550 1.00 0.00 H new ATOM 0 HB VAL A 56 -12.429 2.345 -13.591 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -10.904 0.497 -12.909 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -10.103 1.624 -14.029 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -9.744 1.694 -12.287 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -12.618 1.298 -11.337 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -11.496 2.517 -10.687 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -13.092 3.013 -11.300 1.00 0.00 H new ATOM 895 N PRO A 57 -9.724 4.766 -11.135 1.00 3.33 N ATOM 896 CA PRO A 57 -8.439 4.912 -10.428 1.00 2.75 C ATOM 897 C PRO A 57 -7.777 3.533 -10.306 1.00 4.32 C ATOM 898 O PRO A 57 -8.277 2.646 -9.642 1.00 4.76 O ATOM 899 CB PRO A 57 -8.802 5.510 -9.051 1.00 2.92 C ATOM 900 CG PRO A 57 -10.315 5.877 -9.088 1.00 3.30 C ATOM 901 CD PRO A 57 -10.878 5.384 -10.444 1.00 2.53 C ATOM 0 HA PRO A 57 -7.727 5.555 -10.946 1.00 2.75 H new ATOM 0 HB2 PRO A 57 -8.600 4.793 -8.256 1.00 2.92 H new ATOM 0 HB3 PRO A 57 -8.198 6.393 -8.845 1.00 2.92 H new ATOM 0 HG2 PRO A 57 -10.844 5.407 -8.259 1.00 3.30 H new ATOM 0 HG3 PRO A 57 -10.452 6.953 -8.984 1.00 3.30 H new ATOM 0 HD2 PRO A 57 -11.683 4.664 -10.299 1.00 2.53 H new ATOM 0 HD3 PRO A 57 -11.290 6.210 -11.024 1.00 2.53 H new ATOM 909 N LYS A 58 -6.669 3.348 -10.966 1.00 0.00 N ATOM 910 CA LYS A 58 -5.975 2.030 -10.926 1.00 0.00 C ATOM 911 C LYS A 58 -5.572 1.673 -9.492 1.00 0.00 C ATOM 912 O LYS A 58 -4.948 0.659 -9.251 1.00 0.00 O ATOM 913 CB LYS A 58 -4.733 2.109 -11.821 1.00 0.00 C ATOM 914 CG LYS A 58 -3.665 3.061 -11.207 1.00 0.00 C ATOM 915 CD LYS A 58 -2.408 3.117 -12.097 1.00 0.00 C ATOM 916 CE LYS A 58 -1.372 4.065 -11.484 1.00 0.00 C ATOM 917 NZ LYS A 58 -0.159 4.099 -12.345 1.00 0.00 N ATOM 0 H LYS A 58 -6.210 4.059 -11.536 1.00 0.00 H new ATOM 0 HA LYS A 58 -6.648 1.252 -11.286 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -4.308 1.113 -11.949 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -5.016 2.464 -12.812 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -4.083 4.062 -11.097 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -3.395 2.717 -10.209 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -1.982 2.119 -12.202 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -2.676 3.456 -13.098 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -1.791 5.067 -11.389 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -1.109 3.733 -10.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 0.544 4.742 -11.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 0.245 3.143 -12.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -0.417 4.435 -13.295 1.00 0.00 H new ATOM 931 N ASN A 59 -5.929 2.492 -8.535 1.00 10.56 N ATOM 932 CA ASN A 59 -5.575 2.200 -7.106 1.00 9.74 C ATOM 933 C ASN A 59 -6.806 1.643 -6.380 1.00 9.95 C ATOM 934 O ASN A 59 -6.729 1.211 -5.248 1.00 8.95 O ATOM 935 CB ASN A 59 -5.109 3.500 -6.428 1.00 10.40 C ATOM 936 CG ASN A 59 -3.738 3.906 -6.978 1.00 12.58 C ATOM 937 OD1 ASN A 59 -3.048 3.102 -7.573 1.00 14.84 O ATOM 938 ND2 ASN A 59 -3.316 5.127 -6.808 1.00 14.09 N ATOM 0 H ASN A 59 -6.453 3.355 -8.680 1.00 10.56 H new ATOM 0 HA ASN A 59 -4.773 1.463 -7.064 1.00 9.74 H new ATOM 0 HB2 ASN A 59 -5.833 4.295 -6.607 1.00 10.40 H new ATOM 0 HB3 ASN A 59 -5.051 3.358 -5.349 1.00 10.40 H new ATOM 0 HD21 ASN A 59 -2.406 5.408 -7.174 1.00 14.09 H new ATOM 0 HD22 ASN A 59 -3.895 5.802 -6.309 1.00 14.09 H new ATOM 945 N TYR A 60 -7.944 1.658 -7.024 1.00 10.23 N ATOM 946 CA TYR A 60 -9.188 1.139 -6.377 1.00 5.50 C ATOM 947 C TYR A 60 -9.323 -0.364 -6.659 1.00 5.21 C ATOM 948 O TYR A 60 -10.337 -0.967 -6.366 1.00 7.16 O ATOM 949 CB TYR A 60 -10.403 1.878 -6.970 1.00 3.37 C ATOM 950 CG TYR A 60 -10.654 3.178 -6.230 1.00 2.00 C ATOM 951 CD1 TYR A 60 -9.580 3.952 -5.772 1.00 4.04 C ATOM 952 CD2 TYR A 60 -11.969 3.610 -6.017 1.00 2.00 C ATOM 953 CE1 TYR A 60 -9.823 5.154 -5.100 1.00 4.04 C ATOM 954 CE2 TYR A 60 -12.210 4.814 -5.346 1.00 2.69 C ATOM 955 CZ TYR A 60 -11.137 5.587 -4.887 1.00 4.45 C ATOM 956 OH TYR A 60 -11.376 6.775 -4.225 1.00 9.52 O ATOM 0 H TYR A 60 -8.067 2.009 -7.974 1.00 10.23 H new ATOM 0 HA TYR A 60 -9.140 1.303 -5.300 1.00 5.50 H new ATOM 0 HB2 TYR A 60 -10.230 2.083 -8.027 1.00 3.37 H new ATOM 0 HB3 TYR A 60 -11.287 1.243 -6.909 1.00 3.37 H new ATOM 0 HD1 TYR A 60 -8.565 3.621 -5.938 1.00 4.04 H new ATOM 0 HD2 TYR A 60 -12.797 3.014 -6.371 1.00 2.00 H new ATOM 0 HE1 TYR A 60 -8.995 5.750 -4.745 1.00 4.04 H new ATOM 0 HE2 TYR A 60 -13.224 5.147 -5.182 1.00 2.69 H new ATOM 0 HH TYR A 60 -12.342 6.927 -4.163 1.00 9.52 H new ATOM 966 N VAL A 61 -8.317 -0.971 -7.231 1.00 5.00 N ATOM 967 CA VAL A 61 -8.395 -2.431 -7.542 1.00 4.84 C ATOM 968 C VAL A 61 -7.001 -3.054 -7.419 1.00 5.03 C ATOM 969 O VAL A 61 -5.999 -2.379 -7.547 1.00 5.61 O ATOM 970 CB VAL A 61 -8.911 -2.618 -8.978 1.00 6.97 C ATOM 971 CG1 VAL A 61 -10.299 -1.986 -9.115 1.00 2.00 C ATOM 972 CG2 VAL A 61 -7.956 -1.939 -9.968 1.00 2.97 C ATOM 0 H VAL A 61 -7.442 -0.519 -7.497 1.00 5.00 H new ATOM 0 HA VAL A 61 -9.074 -2.917 -6.842 1.00 4.84 H new ATOM 0 HB VAL A 61 -8.968 -3.685 -9.196 1.00 6.97 H new ATOM 0 HG11 VAL A 61 -10.661 -2.121 -10.134 1.00 2.00 H new ATOM 0 HG12 VAL A 61 -10.987 -2.465 -8.419 1.00 2.00 H new ATOM 0 HG13 VAL A 61 -10.238 -0.921 -8.889 1.00 2.00 H new ATOM 0 HG21 VAL A 61 -8.327 -2.075 -10.984 1.00 2.97 H new ATOM 0 HG22 VAL A 61 -7.896 -0.874 -9.743 1.00 2.97 H new ATOM 0 HG23 VAL A 61 -6.965 -2.384 -9.881 1.00 2.97 H new ATOM 982 N VAL A 62 -6.931 -4.344 -7.190 1.00 0.00 N ATOM 983 CA VAL A 62 -5.598 -5.026 -7.080 1.00 0.00 C ATOM 984 C VAL A 62 -5.374 -5.852 -8.342 1.00 0.00 C ATOM 985 O VAL A 62 -6.303 -6.159 -9.045 1.00 0.00 O ATOM 986 CB VAL A 62 -5.582 -5.956 -5.864 1.00 0.00 C ATOM 987 CG1 VAL A 62 -6.785 -6.899 -5.923 1.00 0.00 C ATOM 988 CG2 VAL A 62 -4.295 -6.781 -5.867 1.00 0.00 C ATOM 0 H VAL A 62 -7.739 -4.956 -7.074 1.00 0.00 H new ATOM 0 HA VAL A 62 -4.813 -4.279 -6.965 1.00 0.00 H new ATOM 0 HB VAL A 62 -5.631 -5.358 -4.954 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -6.772 -7.560 -5.057 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -7.705 -6.315 -5.920 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -6.736 -7.495 -6.835 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -4.285 -7.443 -5.001 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -4.246 -7.376 -6.779 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -3.435 -6.113 -5.823 1.00 0.00 H new ATOM 998 N VAL A 63 -4.154 -6.212 -8.632 1.00 0.00 N ATOM 999 CA VAL A 63 -3.861 -7.023 -9.862 1.00 0.00 C ATOM 1000 C VAL A 63 -3.503 -8.457 -9.462 1.00 0.00 C ATOM 1001 O VAL A 63 -2.730 -8.686 -8.553 1.00 0.00 O ATOM 1002 CB VAL A 63 -2.688 -6.397 -10.617 1.00 0.00 C ATOM 1003 CG1 VAL A 63 -2.187 -7.364 -11.692 1.00 0.00 C ATOM 1004 CG2 VAL A 63 -3.149 -5.095 -11.278 1.00 0.00 C ATOM 0 H VAL A 63 -3.336 -5.980 -8.068 1.00 0.00 H new ATOM 0 HA VAL A 63 -4.742 -7.037 -10.503 1.00 0.00 H new ATOM 0 HB VAL A 63 -1.879 -6.188 -9.917 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -1.351 -6.912 -12.227 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -1.859 -8.292 -11.223 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -2.993 -7.578 -12.393 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -2.315 -4.646 -11.817 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -3.959 -5.308 -11.975 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -3.501 -4.403 -10.513 1.00 0.00 H new ATOM 1014 N LEU A 64 -4.070 -9.423 -10.142 1.00 0.00 N ATOM 1015 CA LEU A 64 -3.785 -10.856 -9.822 1.00 0.00 C ATOM 1016 C LEU A 64 -2.855 -11.438 -10.896 1.00 0.00 C ATOM 1017 O LEU A 64 -1.742 -11.834 -10.613 1.00 0.00 O ATOM 1018 CB LEU A 64 -5.111 -11.639 -9.798 1.00 0.00 C ATOM 1019 CG LEU A 64 -5.725 -11.624 -8.382 1.00 0.00 C ATOM 1020 CD1 LEU A 64 -6.216 -10.211 -8.009 1.00 0.00 C ATOM 1021 CD2 LEU A 64 -6.898 -12.612 -8.318 1.00 0.00 C ATOM 0 H LEU A 64 -4.724 -9.278 -10.912 1.00 0.00 H new ATOM 0 HA LEU A 64 -3.302 -10.933 -8.848 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -5.811 -11.200 -10.509 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -4.938 -12.668 -10.114 1.00 0.00 H new ATOM 0 HG LEU A 64 -4.955 -11.920 -7.669 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -6.644 -10.227 -7.007 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -5.377 -9.516 -8.034 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -6.975 -9.889 -8.723 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -7.330 -12.600 -7.317 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -7.657 -12.323 -9.045 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -6.541 -13.616 -8.547 1.00 0.00 H new ATOM 1033 N SER A 65 -3.302 -11.499 -12.125 1.00 0.00 N ATOM 1034 CA SER A 65 -2.431 -12.059 -13.201 1.00 0.00 C ATOM 1035 C SER A 65 -1.278 -11.093 -13.479 1.00 0.00 C ATOM 1036 O SER A 65 -1.394 -9.900 -13.287 1.00 0.00 O ATOM 1037 CB SER A 65 -3.251 -12.269 -14.480 1.00 0.00 C ATOM 1038 OG SER A 65 -4.264 -13.234 -14.226 1.00 0.00 O ATOM 0 H SER A 65 -4.225 -11.188 -12.428 1.00 0.00 H new ATOM 0 HA SER A 65 -2.029 -13.018 -12.875 1.00 0.00 H new ATOM 0 HB2 SER A 65 -3.699 -11.328 -14.799 1.00 0.00 H new ATOM 0 HB3 SER A 65 -2.605 -12.606 -15.291 1.00 0.00 H new ATOM 0 HG SER A 65 -3.849 -14.081 -13.958 1.00 0.00 H new ATOM 1044 N ASP A 66 -0.157 -11.602 -13.922 1.00 0.00 N ATOM 1045 CA ASP A 66 1.013 -10.717 -14.208 1.00 0.00 C ATOM 1046 C ASP A 66 1.800 -11.284 -15.391 1.00 0.00 C ATOM 1047 O ASP A 66 1.792 -12.473 -15.642 1.00 0.00 O ATOM 1048 CB ASP A 66 1.916 -10.658 -12.975 1.00 0.00 C ATOM 1049 CG ASP A 66 2.380 -12.069 -12.609 1.00 0.00 C ATOM 1050 OD1 ASP A 66 2.149 -12.970 -13.400 1.00 0.00 O ATOM 1051 OD2 ASP A 66 2.956 -12.225 -11.545 1.00 0.00 O ATOM 0 H ASP A 66 -0.001 -12.594 -14.098 1.00 0.00 H new ATOM 0 HA ASP A 66 0.663 -9.714 -14.451 1.00 0.00 H new ATOM 0 HB2 ASP A 66 2.778 -10.021 -13.174 1.00 0.00 H new ATOM 0 HB3 ASP A 66 1.377 -10.213 -12.138 1.00 0.00 H new ATOM 1056 N GLY A 67 2.482 -10.443 -16.123 1.00 0.00 N ATOM 1057 CA GLY A 67 3.271 -10.936 -17.290 1.00 0.00 C ATOM 1058 C GLY A 67 4.635 -11.453 -16.810 1.00 0.00 C ATOM 1059 O GLY A 67 4.893 -12.640 -16.880 1.00 0.00 O ATOM 0 H GLY A 67 2.527 -9.437 -15.963 1.00 0.00 H new ATOM 0 HA2 GLY A 67 2.728 -11.732 -17.799 1.00 0.00 H new ATOM 0 HA3 GLY A 67 3.410 -10.132 -18.013 1.00 0.00 H new ATOM 1063 N PRO A 68 5.474 -10.559 -16.330 1.00 0.00 N ATOM 1064 CA PRO A 68 6.808 -10.946 -15.836 1.00 0.00 C ATOM 1065 C PRO A 68 6.662 -11.954 -14.686 1.00 0.00 C ATOM 1066 O PRO A 68 6.536 -11.583 -13.537 1.00 0.00 O ATOM 1067 CB PRO A 68 7.456 -9.624 -15.355 1.00 0.00 C ATOM 1068 CG PRO A 68 6.410 -8.489 -15.561 1.00 0.00 C ATOM 1069 CD PRO A 68 5.170 -9.115 -16.239 1.00 0.00 C ATOM 0 HA PRO A 68 7.420 -11.430 -16.598 1.00 0.00 H new ATOM 0 HB2 PRO A 68 7.742 -9.696 -14.306 1.00 0.00 H new ATOM 0 HB3 PRO A 68 8.365 -9.415 -15.919 1.00 0.00 H new ATOM 0 HG2 PRO A 68 6.139 -8.040 -14.605 1.00 0.00 H new ATOM 0 HG3 PRO A 68 6.825 -7.694 -16.180 1.00 0.00 H new ATOM 0 HD2 PRO A 68 4.268 -8.937 -15.654 1.00 0.00 H new ATOM 0 HD3 PRO A 68 5.000 -8.684 -17.226 1.00 0.00 H new ATOM 1077 N ALA A 69 6.697 -13.228 -14.994 1.00 0.00 N ATOM 1078 CA ALA A 69 6.582 -14.277 -13.945 1.00 0.00 C ATOM 1079 C ALA A 69 7.896 -15.042 -13.898 1.00 0.00 C ATOM 1080 O ALA A 69 8.042 -16.102 -14.476 1.00 0.00 O ATOM 1081 CB ALA A 69 5.446 -15.237 -14.304 1.00 0.00 C ATOM 0 H ALA A 69 6.802 -13.586 -15.943 1.00 0.00 H new ATOM 0 HA ALA A 69 6.370 -13.824 -12.977 1.00 0.00 H new ATOM 0 HB1 ALA A 69 5.362 -16.005 -13.535 1.00 0.00 H new ATOM 0 HB2 ALA A 69 4.509 -14.684 -14.368 1.00 0.00 H new ATOM 0 HB3 ALA A 69 5.657 -15.707 -15.265 1.00 0.00 H new ATOM 1087 N LEU A 70 8.848 -14.506 -13.207 1.00 0.00 N ATOM 1088 CA LEU A 70 10.176 -15.175 -13.094 1.00 0.00 C ATOM 1089 C LEU A 70 10.130 -16.199 -11.960 1.00 0.00 C ATOM 1090 O LEU A 70 9.797 -15.881 -10.835 1.00 0.00 O ATOM 1091 CB LEU A 70 11.252 -14.122 -12.789 1.00 0.00 C ATOM 1092 CG LEU A 70 11.499 -13.238 -14.029 1.00 0.00 C ATOM 1093 CD1 LEU A 70 12.063 -11.881 -13.591 1.00 0.00 C ATOM 1094 CD2 LEU A 70 12.505 -13.911 -14.973 1.00 0.00 C ATOM 0 H LEU A 70 8.769 -13.621 -12.706 1.00 0.00 H new ATOM 0 HA LEU A 70 10.415 -15.678 -14.031 1.00 0.00 H new ATOM 0 HB2 LEU A 70 10.937 -13.503 -11.949 1.00 0.00 H new ATOM 0 HB3 LEU A 70 12.179 -14.614 -12.493 1.00 0.00 H new ATOM 0 HG LEU A 70 10.552 -13.099 -14.550 1.00 0.00 H new ATOM 0 HD11 LEU A 70 12.237 -11.259 -14.469 1.00 0.00 H new ATOM 0 HD12 LEU A 70 11.350 -11.387 -12.931 1.00 0.00 H new ATOM 0 HD13 LEU A 70 13.004 -12.032 -13.061 1.00 0.00 H new ATOM 0 HD21 LEU A 70 12.669 -13.275 -15.843 1.00 0.00 H new ATOM 0 HD22 LEU A 70 13.450 -14.062 -14.451 1.00 0.00 H new ATOM 0 HD23 LEU A 70 12.112 -14.875 -15.297 1.00 0.00 H new ATOM 1106 N HIS A 71 10.464 -17.428 -12.242 1.00 0.00 N ATOM 1107 CA HIS A 71 10.437 -18.471 -11.178 1.00 0.00 C ATOM 1108 C HIS A 71 9.092 -18.423 -10.449 1.00 0.00 C ATOM 1109 CB HIS A 71 11.568 -18.207 -10.181 1.00 0.00 C ATOM 1110 CG HIS A 71 11.723 -19.397 -9.272 1.00 0.00 C ATOM 1111 ND1 HIS A 71 10.791 -20.420 -9.226 1.00 0.00 N ATOM 1112 CD2 HIS A 71 12.699 -19.738 -8.368 1.00 0.00 C ATOM 1113 CE1 HIS A 71 11.220 -21.321 -8.324 1.00 0.00 C ATOM 1114 NE2 HIS A 71 12.378 -20.954 -7.772 1.00 0.00 N ATOM 0 H HIS A 71 10.755 -17.755 -13.163 1.00 0.00 H new ATOM 0 HA HIS A 71 10.569 -19.455 -11.628 1.00 0.00 H new ATOM 0 HB2 HIS A 71 12.500 -18.019 -10.714 1.00 0.00 H new ATOM 0 HB3 HIS A 71 11.350 -17.314 -9.595 1.00 0.00 H new ATOM 0 HD2 HIS A 71 13.580 -19.152 -8.153 1.00 0.00 H new ATOM 0 HE1 HIS A 71 10.692 -22.230 -8.077 1.00 0.00 H new ATOM 0 HE2 HIS A 71 12.913 -21.457 -7.064 1.00 0.00 H new ATOM 1123 N GLY B 72 -14.926 -12.965 6.630 1.00 0.00 N ATOM 1124 CA GLY B 72 -13.972 -13.157 5.502 1.00 0.00 C ATOM 1125 C GLY B 72 -13.470 -11.792 5.022 1.00 0.00 C ATOM 1126 O GLY B 72 -13.556 -11.465 3.855 1.00 0.00 O ATOM 0 HA2 GLY B 72 -13.132 -13.773 5.823 1.00 0.00 H new ATOM 0 HA3 GLY B 72 -14.461 -13.685 4.684 1.00 0.00 H new ATOM 1131 N SER B 73 -12.946 -10.997 5.913 1.00 0.00 N ATOM 1132 CA SER B 73 -12.439 -9.656 5.506 1.00 0.00 C ATOM 1133 C SER B 73 -11.065 -9.807 4.850 1.00 0.00 C ATOM 1134 O SER B 73 -10.355 -10.766 5.084 1.00 0.00 O ATOM 1135 CB SER B 73 -12.317 -8.762 6.739 1.00 0.00 C ATOM 1136 OG SER B 73 -13.491 -8.890 7.531 1.00 0.00 O ATOM 0 H SER B 73 -12.847 -11.217 6.904 1.00 0.00 H new ATOM 0 HA SER B 73 -13.133 -9.206 4.797 1.00 0.00 H new ATOM 0 HB2 SER B 73 -11.439 -9.044 7.321 1.00 0.00 H new ATOM 0 HB3 SER B 73 -12.180 -7.724 6.437 1.00 0.00 H new ATOM 0 HG SER B 73 -13.415 -8.319 8.324 1.00 0.00 H new ATOM 1142 N MET B 74 -10.685 -8.868 4.027 1.00 0.00 N ATOM 1143 CA MET B 74 -9.357 -8.959 3.355 1.00 0.00 C ATOM 1144 C MET B 74 -8.277 -9.250 4.400 1.00 0.00 C ATOM 1145 O MET B 74 -8.509 -9.157 5.589 1.00 0.00 O ATOM 1146 CB MET B 74 -9.046 -7.634 2.656 1.00 0.00 C ATOM 1147 CG MET B 74 -10.279 -7.166 1.880 1.00 0.00 C ATOM 1148 SD MET B 74 -9.820 -5.797 0.790 1.00 0.00 S ATOM 1149 CE MET B 74 -11.418 -4.949 0.802 1.00 0.00 C ATOM 0 H MET B 74 -11.236 -8.043 3.791 1.00 0.00 H new ATOM 0 HA MET B 74 -9.377 -9.762 2.618 1.00 0.00 H new ATOM 0 HB2 MET B 74 -8.758 -6.882 3.390 1.00 0.00 H new ATOM 0 HB3 MET B 74 -8.201 -7.757 1.978 1.00 0.00 H new ATOM 0 HG2 MET B 74 -10.688 -7.990 1.295 1.00 0.00 H new ATOM 0 HG3 MET B 74 -11.059 -6.848 2.572 1.00 0.00 H new ATOM 0 HE1 MET B 74 -11.361 -4.056 0.179 1.00 0.00 H new ATOM 0 HE2 MET B 74 -12.187 -5.616 0.411 1.00 0.00 H new ATOM 0 HE3 MET B 74 -11.671 -4.664 1.823 1.00 0.00 H new ATOM 1159 N GLY B 75 -7.098 -9.602 3.964 1.00 0.00 N ATOM 1160 CA GLY B 75 -6.004 -9.898 4.934 1.00 0.00 C ATOM 1161 C GLY B 75 -4.681 -10.046 4.183 1.00 0.00 C ATOM 1162 O GLY B 75 -3.930 -10.976 4.406 1.00 0.00 O ATOM 0 H GLY B 75 -6.845 -9.697 2.981 1.00 0.00 H new ATOM 0 HA2 GLY B 75 -5.929 -9.097 5.669 1.00 0.00 H new ATOM 0 HA3 GLY B 75 -6.227 -10.813 5.482 1.00 0.00 H new ATOM 1166 N VAL B 76 -4.387 -9.134 3.293 1.00 0.00 N ATOM 1167 CA VAL B 76 -3.109 -9.224 2.529 1.00 0.00 C ATOM 1168 C VAL B 76 -2.704 -7.824 2.050 1.00 0.00 C ATOM 1169 O VAL B 76 -3.501 -7.124 1.462 1.00 0.00 O ATOM 1170 CB VAL B 76 -3.307 -10.127 1.302 1.00 0.00 C ATOM 1171 CG1 VAL B 76 -2.381 -9.676 0.171 1.00 0.00 C ATOM 1172 CG2 VAL B 76 -2.975 -11.578 1.643 1.00 0.00 C ATOM 0 H VAL B 76 -4.975 -8.333 3.063 1.00 0.00 H new ATOM 0 HA VAL B 76 -2.333 -9.638 3.173 1.00 0.00 H new ATOM 0 HB VAL B 76 -4.349 -10.053 0.992 1.00 0.00 H new ATOM 0 HG11 VAL B 76 -2.526 -10.320 -0.696 1.00 0.00 H new ATOM 0 HG12 VAL B 76 -2.612 -8.646 -0.099 1.00 0.00 H new ATOM 0 HG13 VAL B 76 -1.344 -9.741 0.502 1.00 0.00 H new ATOM 0 HG21 VAL B 76 -3.121 -12.202 0.761 1.00 0.00 H new ATOM 0 HG22 VAL B 76 -1.937 -11.647 1.968 1.00 0.00 H new ATOM 0 HG23 VAL B 76 -3.629 -11.922 2.444 1.00 0.00 H new ATOM 1182 N PRO B 77 -1.465 -7.467 2.290 1.00 0.00 N ATOM 1183 CA PRO B 77 -0.935 -6.172 1.858 1.00 0.00 C ATOM 1184 C PRO B 77 -0.711 -6.210 0.363 1.00 0.00 C ATOM 1185 O PRO B 77 -0.676 -7.259 -0.244 1.00 0.00 O ATOM 1186 CB PRO B 77 0.403 -6.024 2.590 1.00 0.00 C ATOM 1187 CG PRO B 77 0.691 -7.374 3.288 1.00 0.00 C ATOM 1188 CD PRO B 77 -0.496 -8.303 3.016 1.00 0.00 C ATOM 0 HA PRO B 77 -1.608 -5.343 2.078 1.00 0.00 H new ATOM 0 HB2 PRO B 77 1.200 -5.775 1.889 1.00 0.00 H new ATOM 0 HB3 PRO B 77 0.356 -5.215 3.320 1.00 0.00 H new ATOM 0 HG2 PRO B 77 1.614 -7.812 2.908 1.00 0.00 H new ATOM 0 HG3 PRO B 77 0.825 -7.229 4.360 1.00 0.00 H new ATOM 0 HD2 PRO B 77 -0.195 -9.167 2.423 1.00 0.00 H new ATOM 0 HD3 PRO B 77 -0.920 -8.686 3.944 1.00 0.00 H new ATOM 1196 N ILE B 78 -0.561 -5.075 -0.232 1.00 0.00 N ATOM 1197 CA ILE B 78 -0.338 -5.042 -1.691 1.00 0.00 C ATOM 1198 C ILE B 78 0.779 -4.065 -2.009 1.00 0.00 C ATOM 1199 O ILE B 78 0.722 -2.893 -1.695 1.00 0.00 O ATOM 1200 CB ILE B 78 -1.636 -4.653 -2.387 1.00 0.00 C ATOM 1201 CG1 ILE B 78 -2.575 -5.855 -2.305 1.00 0.00 C ATOM 1202 CG2 ILE B 78 -1.343 -4.320 -3.844 1.00 0.00 C ATOM 1203 CD1 ILE B 78 -4.033 -5.424 -2.399 1.00 0.00 C ATOM 0 H ILE B 78 -0.583 -4.165 0.228 1.00 0.00 H new ATOM 0 HA ILE B 78 -0.038 -6.026 -2.052 1.00 0.00 H new ATOM 0 HB ILE B 78 -2.091 -3.782 -1.915 1.00 0.00 H new ATOM 0 HG12 ILE B 78 -2.347 -6.553 -3.110 1.00 0.00 H new ATOM 0 HG13 ILE B 78 -2.410 -6.385 -1.367 1.00 0.00 H new ATOM 0 HG21 ILE B 78 -2.269 -4.041 -4.347 1.00 0.00 H new ATOM 0 HG22 ILE B 78 -0.639 -3.489 -3.893 1.00 0.00 H new ATOM 0 HG23 ILE B 78 -0.911 -5.191 -4.337 1.00 0.00 H new ATOM 0 HD11 ILE B 78 -4.677 -6.302 -2.338 1.00 0.00 H new ATOM 0 HD12 ILE B 78 -4.265 -4.745 -1.578 1.00 0.00 H new ATOM 0 HD13 ILE B 78 -4.202 -4.916 -3.349 1.00 0.00 H new ATOM 1215 N CYS B 79 1.816 -4.567 -2.607 1.00 0.00 N ATOM 1216 CA CYS B 79 2.983 -3.718 -2.933 1.00 0.00 C ATOM 1217 C CYS B 79 2.550 -2.562 -3.823 1.00 0.00 C ATOM 1218 O CYS B 79 2.089 -2.746 -4.931 1.00 0.00 O ATOM 1219 CB CYS B 79 4.045 -4.564 -3.632 1.00 0.00 C ATOM 1220 SG CYS B 79 5.343 -3.496 -4.296 1.00 0.00 S ATOM 0 H CYS B 79 1.904 -5.544 -2.887 1.00 0.00 H new ATOM 0 HA CYS B 79 3.405 -3.307 -2.016 1.00 0.00 H new ATOM 0 HB2 CYS B 79 4.474 -5.278 -2.929 1.00 0.00 H new ATOM 0 HB3 CYS B 79 3.590 -5.142 -4.437 1.00 0.00 H new ATOM 0 HG CYS B 79 6.173 -4.208 -4.999 1.00 0.00 H new ATOM 1225 N GLY B 80 2.697 -1.369 -3.332 1.00 0.00 N ATOM 1226 CA GLY B 80 2.298 -0.178 -4.129 1.00 0.00 C ATOM 1227 C GLY B 80 3.184 -0.079 -5.366 1.00 0.00 C ATOM 1228 O GLY B 80 3.043 0.821 -6.172 1.00 0.00 O ATOM 0 H GLY B 80 3.078 -1.164 -2.408 1.00 0.00 H new ATOM 0 HA2 GLY B 80 1.251 -0.257 -4.423 1.00 0.00 H new ATOM 0 HA3 GLY B 80 2.393 0.725 -3.526 1.00 0.00 H new ATOM 1232 N ALA B 81 4.100 -0.991 -5.524 1.00 0.00 N ATOM 1233 CA ALA B 81 5.001 -0.948 -6.707 1.00 0.00 C ATOM 1234 C ALA B 81 4.335 -1.671 -7.876 1.00 0.00 C ATOM 1235 O ALA B 81 4.277 -1.167 -8.981 1.00 0.00 O ATOM 1236 CB ALA B 81 6.327 -1.629 -6.363 1.00 0.00 C ATOM 0 H ALA B 81 4.264 -1.767 -4.883 1.00 0.00 H new ATOM 0 HA ALA B 81 5.192 0.088 -6.986 1.00 0.00 H new ATOM 0 HB1 ALA B 81 6.988 -1.598 -7.229 1.00 0.00 H new ATOM 0 HB2 ALA B 81 6.798 -1.109 -5.529 1.00 0.00 H new ATOM 0 HB3 ALA B 81 6.142 -2.667 -6.085 1.00 0.00 H new ATOM 1242 N CYS B 82 3.837 -2.850 -7.638 1.00 0.00 N ATOM 1243 CA CYS B 82 3.171 -3.623 -8.723 1.00 0.00 C ATOM 1244 C CYS B 82 1.696 -3.812 -8.368 1.00 0.00 C ATOM 1245 O CYS B 82 0.966 -4.499 -9.058 1.00 0.00 O ATOM 1246 CB CYS B 82 3.842 -4.991 -8.852 1.00 0.00 C ATOM 1247 SG CYS B 82 4.252 -5.617 -7.205 1.00 0.00 S ATOM 0 H CYS B 82 3.862 -3.316 -6.731 1.00 0.00 H new ATOM 0 HA CYS B 82 3.256 -3.085 -9.667 1.00 0.00 H new ATOM 0 HB2 CYS B 82 3.177 -5.688 -9.363 1.00 0.00 H new ATOM 0 HB3 CYS B 82 4.745 -4.910 -9.457 1.00 0.00 H new ATOM 0 HG CYS B 82 5.540 -5.581 -7.035 1.00 0.00 H new ATOM 1252 N ARG B 83 1.252 -3.218 -7.292 1.00 0.00 N ATOM 1253 CA ARG B 83 -0.169 -3.374 -6.892 1.00 0.00 C ATOM 1254 C ARG B 83 -0.490 -4.865 -6.815 1.00 0.00 C ATOM 1255 O ARG B 83 -1.540 -5.309 -7.233 1.00 0.00 O ATOM 1256 CB ARG B 83 -1.077 -2.701 -7.928 1.00 0.00 C ATOM 1257 CG ARG B 83 -0.840 -1.183 -7.919 1.00 0.00 C ATOM 1258 CD ARG B 83 -1.716 -0.503 -8.980 1.00 0.00 C ATOM 1259 NE ARG B 83 -1.282 -0.912 -10.354 1.00 0.00 N ATOM 1260 CZ ARG B 83 -0.282 -0.325 -10.958 1.00 0.00 C ATOM 1261 NH1 ARG B 83 0.271 0.739 -10.445 1.00 0.00 N ATOM 1262 NH2 ARG B 83 0.136 -0.780 -12.108 1.00 0.00 N ATOM 0 H ARG B 83 1.815 -2.632 -6.675 1.00 0.00 H new ATOM 0 HA ARG B 83 -0.337 -2.905 -5.922 1.00 0.00 H new ATOM 0 HB2 ARG B 83 -0.874 -3.104 -8.920 1.00 0.00 H new ATOM 0 HB3 ARG B 83 -2.122 -2.917 -7.704 1.00 0.00 H new ATOM 0 HG2 ARG B 83 -1.069 -0.778 -6.933 1.00 0.00 H new ATOM 0 HG3 ARG B 83 0.211 -0.971 -8.114 1.00 0.00 H new ATOM 0 HD2 ARG B 83 -2.761 -0.773 -8.826 1.00 0.00 H new ATOM 0 HD3 ARG B 83 -1.648 0.580 -8.877 1.00 0.00 H new ATOM 0 HE ARG B 83 -1.778 -1.666 -10.829 1.00 0.00 H new ATOM 0 HH11 ARG B 83 -0.076 1.120 -9.565 1.00 0.00 H new ATOM 0 HH12 ARG B 83 1.051 1.190 -10.924 1.00 0.00 H new ATOM 0 HH21 ARG B 83 -0.317 -1.590 -12.531 1.00 0.00 H new ATOM 0 HH22 ARG B 83 0.916 -0.326 -12.583 1.00 0.00 H new ATOM 1276 N ARG B 84 0.419 -5.636 -6.279 1.00 0.00 N ATOM 1277 CA ARG B 84 0.189 -7.104 -6.159 1.00 0.00 C ATOM 1278 C ARG B 84 0.141 -7.471 -4.671 1.00 0.00 C ATOM 1279 O ARG B 84 0.868 -6.901 -3.884 1.00 0.00 O ATOM 1280 CB ARG B 84 1.346 -7.857 -6.829 1.00 0.00 C ATOM 1281 CG ARG B 84 0.901 -8.375 -8.198 1.00 0.00 C ATOM 1282 CD ARG B 84 2.025 -9.207 -8.818 1.00 0.00 C ATOM 1283 NE ARG B 84 1.449 -10.419 -9.462 1.00 0.00 N ATOM 1284 CZ ARG B 84 0.841 -11.318 -8.736 1.00 0.00 C ATOM 1285 NH1 ARG B 84 0.739 -11.153 -7.444 1.00 0.00 N ATOM 1286 NH2 ARG B 84 0.337 -12.382 -9.300 1.00 0.00 N ATOM 0 H ARG B 84 1.315 -5.309 -5.918 1.00 0.00 H new ATOM 0 HA ARG B 84 -0.749 -7.376 -6.644 1.00 0.00 H new ATOM 0 HB2 ARG B 84 2.206 -7.196 -6.941 1.00 0.00 H new ATOM 0 HB3 ARG B 84 1.663 -8.689 -6.200 1.00 0.00 H new ATOM 0 HG2 ARG B 84 0.000 -8.980 -8.095 1.00 0.00 H new ATOM 0 HG3 ARG B 84 0.650 -7.539 -8.851 1.00 0.00 H new ATOM 0 HD2 ARG B 84 2.567 -8.614 -9.554 1.00 0.00 H new ATOM 0 HD3 ARG B 84 2.743 -9.496 -8.051 1.00 0.00 H new ATOM 0 HE ARG B 84 1.529 -10.547 -10.471 1.00 0.00 H new ATOM 0 HH11 ARG B 84 1.134 -10.322 -7.003 1.00 0.00 H new ATOM 0 HH12 ARG B 84 0.264 -11.855 -6.876 1.00 0.00 H new ATOM 0 HH21 ARG B 84 0.418 -12.512 -10.308 1.00 0.00 H new ATOM 0 HH22 ARG B 84 -0.138 -13.084 -8.732 1.00 0.00 H new ATOM 1300 N PRO B 85 -0.710 -8.406 -4.318 1.00 0.00 N ATOM 1301 CA PRO B 85 -0.844 -8.832 -2.916 1.00 0.00 C ATOM 1302 C PRO B 85 0.504 -9.297 -2.365 1.00 0.00 C ATOM 1303 O PRO B 85 1.047 -10.299 -2.784 1.00 0.00 O ATOM 1304 CB PRO B 85 -1.868 -9.980 -2.950 1.00 0.00 C ATOM 1305 CG PRO B 85 -2.370 -10.121 -4.405 1.00 0.00 C ATOM 1306 CD PRO B 85 -1.592 -9.112 -5.268 1.00 0.00 C ATOM 0 HA PRO B 85 -1.171 -8.023 -2.263 1.00 0.00 H new ATOM 0 HB2 PRO B 85 -1.411 -10.910 -2.612 1.00 0.00 H new ATOM 0 HB3 PRO B 85 -2.700 -9.770 -2.277 1.00 0.00 H new ATOM 0 HG2 PRO B 85 -2.211 -11.137 -4.768 1.00 0.00 H new ATOM 0 HG3 PRO B 85 -3.441 -9.926 -4.461 1.00 0.00 H new ATOM 0 HD2 PRO B 85 -1.015 -9.616 -6.043 1.00 0.00 H new ATOM 0 HD3 PRO B 85 -2.266 -8.419 -5.772 1.00 0.00 H new ATOM 1314 N ILE B 86 1.045 -8.574 -1.419 1.00 0.00 N ATOM 1315 CA ILE B 86 2.358 -8.984 -0.836 1.00 0.00 C ATOM 1316 C ILE B 86 2.145 -10.240 0.009 1.00 0.00 C ATOM 1317 O ILE B 86 1.041 -10.531 0.425 1.00 0.00 O ATOM 1318 CB ILE B 86 2.930 -7.845 0.018 1.00 0.00 C ATOM 1319 CG1 ILE B 86 3.218 -6.635 -0.878 1.00 0.00 C ATOM 1320 CG2 ILE B 86 4.237 -8.301 0.674 1.00 0.00 C ATOM 1321 CD1 ILE B 86 3.070 -5.342 -0.065 1.00 0.00 C ATOM 0 H ILE B 86 0.639 -7.724 -1.027 1.00 0.00 H new ATOM 0 HA ILE B 86 3.072 -9.200 -1.631 1.00 0.00 H new ATOM 0 HB ILE B 86 2.208 -7.574 0.788 1.00 0.00 H new ATOM 0 HG12 ILE B 86 4.226 -6.705 -1.287 1.00 0.00 H new ATOM 0 HG13 ILE B 86 2.530 -6.625 -1.724 1.00 0.00 H new ATOM 0 HG21 ILE B 86 4.642 -7.491 1.280 1.00 0.00 H new ATOM 0 HG22 ILE B 86 4.043 -9.166 1.308 1.00 0.00 H new ATOM 0 HG23 ILE B 86 4.957 -8.571 -0.099 1.00 0.00 H new ATOM 0 HD11 ILE B 86 3.275 -4.484 -0.705 1.00 0.00 H new ATOM 0 HD12 ILE B 86 2.054 -5.270 0.323 1.00 0.00 H new ATOM 0 HD13 ILE B 86 3.775 -5.352 0.766 1.00 0.00 H new ATOM 1333 N GLU B 87 3.178 -11.006 0.253 1.00 0.00 N ATOM 1334 CA GLU B 87 2.984 -12.253 1.056 1.00 0.00 C ATOM 1335 C GLU B 87 4.317 -12.735 1.631 1.00 0.00 C ATOM 1336 O GLU B 87 4.776 -13.825 1.346 1.00 0.00 O ATOM 1337 CB GLU B 87 2.388 -13.343 0.161 1.00 0.00 C ATOM 1338 CG GLU B 87 3.038 -13.281 -1.223 1.00 0.00 C ATOM 1339 CD GLU B 87 2.760 -14.582 -1.980 1.00 0.00 C ATOM 1340 OE1 GLU B 87 1.682 -14.703 -2.537 1.00 0.00 O ATOM 1341 OE2 GLU B 87 3.632 -15.434 -1.985 1.00 0.00 O ATOM 0 H GLU B 87 4.132 -10.828 -0.062 1.00 0.00 H new ATOM 0 HA GLU B 87 2.306 -12.039 1.882 1.00 0.00 H new ATOM 0 HB2 GLU B 87 2.551 -14.324 0.607 1.00 0.00 H new ATOM 0 HB3 GLU B 87 1.310 -13.208 0.074 1.00 0.00 H new ATOM 0 HG2 GLU B 87 2.645 -12.432 -1.783 1.00 0.00 H new ATOM 0 HG3 GLU B 87 4.113 -13.128 -1.125 1.00 0.00 H new ATOM 1348 N GLY B 88 4.933 -11.934 2.449 1.00 0.00 N ATOM 1349 CA GLY B 88 6.227 -12.324 3.071 1.00 0.00 C ATOM 1350 C GLY B 88 6.625 -11.223 4.040 1.00 0.00 C ATOM 1351 O GLY B 88 6.084 -11.104 5.120 1.00 0.00 O ATOM 0 H GLY B 88 4.591 -11.012 2.718 1.00 0.00 H new ATOM 0 HA2 GLY B 88 6.129 -13.276 3.593 1.00 0.00 H new ATOM 0 HA3 GLY B 88 6.994 -12.457 2.308 1.00 0.00 H new ATOM 1355 N ARG B 89 7.536 -10.393 3.636 1.00 0.00 N ATOM 1356 CA ARG B 89 7.949 -9.255 4.498 1.00 0.00 C ATOM 1357 C ARG B 89 7.488 -7.981 3.801 1.00 0.00 C ATOM 1358 O ARG B 89 7.836 -7.720 2.666 1.00 0.00 O ATOM 1359 CB ARG B 89 9.462 -9.249 4.674 1.00 0.00 C ATOM 1360 CG ARG B 89 9.869 -10.371 5.631 1.00 0.00 C ATOM 1361 CD ARG B 89 11.320 -10.165 6.077 1.00 0.00 C ATOM 1362 NE ARG B 89 12.061 -11.463 6.029 1.00 0.00 N ATOM 1363 CZ ARG B 89 11.527 -12.561 6.497 1.00 0.00 C ATOM 1364 NH1 ARG B 89 10.367 -12.531 7.092 1.00 0.00 N ATOM 1365 NH2 ARG B 89 12.167 -13.693 6.387 1.00 0.00 N ATOM 0 H ARG B 89 8.018 -10.452 2.739 1.00 0.00 H new ATOM 0 HA ARG B 89 7.505 -9.335 5.490 1.00 0.00 H new ATOM 0 HB2 ARG B 89 9.951 -9.384 3.709 1.00 0.00 H new ATOM 0 HB3 ARG B 89 9.789 -8.286 5.066 1.00 0.00 H new ATOM 0 HG2 ARG B 89 9.209 -10.380 6.498 1.00 0.00 H new ATOM 0 HG3 ARG B 89 9.763 -11.338 5.140 1.00 0.00 H new ATOM 0 HD2 ARG B 89 11.807 -9.435 5.431 1.00 0.00 H new ATOM 0 HD3 ARG B 89 11.344 -9.761 7.089 1.00 0.00 H new ATOM 0 HE ARG B 89 12.997 -11.492 5.625 1.00 0.00 H new ATOM 0 HH11 ARG B 89 9.869 -11.647 7.195 1.00 0.00 H new ATOM 0 HH12 ARG B 89 9.957 -13.392 7.454 1.00 0.00 H new ATOM 0 HH21 ARG B 89 13.082 -13.720 5.937 1.00 0.00 H new ATOM 0 HH22 ARG B 89 11.752 -14.551 6.751 1.00 0.00 H new ATOM 1379 N VAL B 90 6.669 -7.217 4.452 1.00 0.00 N ATOM 1380 CA VAL B 90 6.128 -5.983 3.812 1.00 0.00 C ATOM 1381 C VAL B 90 6.900 -4.746 4.257 1.00 0.00 C ATOM 1382 O VAL B 90 7.523 -4.724 5.299 1.00 0.00 O ATOM 1383 CB VAL B 90 4.661 -5.818 4.217 1.00 0.00 C ATOM 1384 CG1 VAL B 90 4.046 -4.614 3.491 1.00 0.00 C ATOM 1385 CG2 VAL B 90 3.880 -7.084 3.847 1.00 0.00 C ATOM 0 H VAL B 90 6.346 -7.389 5.404 1.00 0.00 H new ATOM 0 HA VAL B 90 6.226 -6.084 2.731 1.00 0.00 H new ATOM 0 HB VAL B 90 4.608 -5.654 5.293 1.00 0.00 H new ATOM 0 HG11 VAL B 90 3.002 -4.505 3.786 1.00 0.00 H new ATOM 0 HG12 VAL B 90 4.594 -3.710 3.757 1.00 0.00 H new ATOM 0 HG13 VAL B 90 4.104 -4.770 2.414 1.00 0.00 H new ATOM 0 HG21 VAL B 90 2.836 -6.965 4.136 1.00 0.00 H new ATOM 0 HG22 VAL B 90 3.942 -7.249 2.771 1.00 0.00 H new ATOM 0 HG23 VAL B 90 4.306 -7.940 4.370 1.00 0.00 H new ATOM 1395 N VAL B 91 6.826 -3.701 3.475 1.00 0.00 N ATOM 1396 CA VAL B 91 7.505 -2.431 3.839 1.00 0.00 C ATOM 1397 C VAL B 91 6.440 -1.347 3.882 1.00 0.00 C ATOM 1398 O VAL B 91 5.817 -1.043 2.889 1.00 0.00 O ATOM 1399 CB VAL B 91 8.570 -2.078 2.795 1.00 0.00 C ATOM 1400 CG1 VAL B 91 8.871 -0.575 2.855 1.00 0.00 C ATOM 1401 CG2 VAL B 91 9.848 -2.858 3.099 1.00 0.00 C ATOM 0 H VAL B 91 6.318 -3.677 2.591 1.00 0.00 H new ATOM 0 HA VAL B 91 8.002 -2.526 4.804 1.00 0.00 H new ATOM 0 HB VAL B 91 8.205 -2.336 1.801 1.00 0.00 H new ATOM 0 HG11 VAL B 91 9.629 -0.326 2.112 1.00 0.00 H new ATOM 0 HG12 VAL B 91 7.960 -0.013 2.648 1.00 0.00 H new ATOM 0 HG13 VAL B 91 9.238 -0.317 3.848 1.00 0.00 H new ATOM 0 HG21 VAL B 91 10.610 -2.611 2.359 1.00 0.00 H new ATOM 0 HG22 VAL B 91 10.208 -2.593 4.093 1.00 0.00 H new ATOM 0 HG23 VAL B 91 9.639 -3.927 3.062 1.00 0.00 H new ATOM 1411 N ASN B 92 6.205 -0.776 5.024 1.00 0.00 N ATOM 1412 CA ASN B 92 5.156 0.271 5.111 1.00 0.00 C ATOM 1413 C ASN B 92 5.774 1.638 4.836 1.00 0.00 C ATOM 1414 O ASN B 92 6.480 2.194 5.657 1.00 0.00 O ATOM 1415 CB ASN B 92 4.537 0.253 6.504 1.00 0.00 C ATOM 1416 CG ASN B 92 3.740 -1.038 6.696 1.00 0.00 C ATOM 1417 OD1 ASN B 92 2.830 -1.092 7.498 1.00 0.00 O ATOM 1418 ND2 ASN B 92 4.047 -2.089 5.986 1.00 0.00 N ATOM 0 H ASN B 92 6.690 -0.986 5.897 1.00 0.00 H new ATOM 0 HA ASN B 92 4.381 0.074 4.370 1.00 0.00 H new ATOM 0 HB2 ASN B 92 5.318 0.326 7.261 1.00 0.00 H new ATOM 0 HB3 ASN B 92 3.885 1.117 6.634 1.00 0.00 H new ATOM 0 HD21 ASN B 92 3.522 -2.956 6.105 1.00 0.00 H new ATOM 0 HD22 ASN B 92 4.811 -2.044 5.312 1.00 0.00 H new ATOM 1425 N ALA B 93 5.513 2.183 3.683 1.00 0.00 N ATOM 1426 CA ALA B 93 6.079 3.514 3.335 1.00 0.00 C ATOM 1427 C ALA B 93 5.054 4.280 2.502 1.00 0.00 C ATOM 1428 O ALA B 93 4.159 3.698 1.922 1.00 0.00 O ATOM 1429 CB ALA B 93 7.358 3.325 2.519 1.00 0.00 C ATOM 0 H ALA B 93 4.928 1.761 2.962 1.00 0.00 H new ATOM 0 HA ALA B 93 6.310 4.069 4.244 1.00 0.00 H new ATOM 0 HB1 ALA B 93 7.774 4.300 2.263 1.00 0.00 H new ATOM 0 HB2 ALA B 93 8.085 2.763 3.106 1.00 0.00 H new ATOM 0 HB3 ALA B 93 7.129 2.777 1.605 1.00 0.00 H new ATOM 1435 N MET B 94 5.168 5.575 2.440 1.00 0.00 N ATOM 1436 CA MET B 94 4.186 6.362 1.646 1.00 0.00 C ATOM 1437 C MET B 94 2.800 6.073 2.195 1.00 0.00 C ATOM 1438 O MET B 94 1.791 6.307 1.556 1.00 0.00 O ATOM 1439 CB MET B 94 4.240 5.930 0.179 1.00 0.00 C ATOM 1440 CG MET B 94 5.697 5.799 -0.283 1.00 0.00 C ATOM 1441 SD MET B 94 6.383 7.447 -0.570 1.00 0.00 S ATOM 1442 CE MET B 94 8.059 7.120 0.030 1.00 0.00 C ATOM 0 H MET B 94 5.895 6.121 2.902 1.00 0.00 H new ATOM 0 HA MET B 94 4.417 7.425 1.713 1.00 0.00 H new ATOM 0 HB2 MET B 94 3.724 4.978 0.054 1.00 0.00 H new ATOM 0 HB3 MET B 94 3.719 6.659 -0.441 1.00 0.00 H new ATOM 0 HG2 MET B 94 6.284 5.274 0.471 1.00 0.00 H new ATOM 0 HG3 MET B 94 5.749 5.207 -1.197 1.00 0.00 H new ATOM 0 HE1 MET B 94 8.541 8.061 0.293 1.00 0.00 H new ATOM 0 HE2 MET B 94 8.012 6.478 0.910 1.00 0.00 H new ATOM 0 HE3 MET B 94 8.635 6.623 -0.751 1.00 0.00 H new ATOM 1452 N GLY B 95 2.755 5.544 3.376 1.00 0.00 N ATOM 1453 CA GLY B 95 1.447 5.203 3.990 1.00 0.00 C ATOM 1454 C GLY B 95 0.862 4.017 3.230 1.00 0.00 C ATOM 1455 O GLY B 95 -0.337 3.816 3.182 1.00 0.00 O ATOM 0 H GLY B 95 3.572 5.330 3.949 1.00 0.00 H new ATOM 0 HA2 GLY B 95 1.574 4.955 5.044 1.00 0.00 H new ATOM 0 HA3 GLY B 95 0.770 6.056 3.943 1.00 0.00 H new ATOM 1459 N LYS B 96 1.715 3.241 2.625 1.00 0.00 N ATOM 1460 CA LYS B 96 1.259 2.062 1.834 1.00 0.00 C ATOM 1461 C LYS B 96 2.050 0.823 2.251 1.00 0.00 C ATOM 1462 O LYS B 96 2.563 0.731 3.347 1.00 0.00 O ATOM 1463 CB LYS B 96 1.509 2.342 0.347 1.00 0.00 C ATOM 1464 CG LYS B 96 0.668 3.544 -0.113 1.00 0.00 C ATOM 1465 CD LYS B 96 -0.164 3.155 -1.341 1.00 0.00 C ATOM 1466 CE LYS B 96 -0.812 4.404 -1.937 1.00 0.00 C ATOM 1467 NZ LYS B 96 -1.843 4.927 -0.997 1.00 0.00 N ATOM 0 H LYS B 96 2.726 3.375 2.645 1.00 0.00 H new ATOM 0 HA LYS B 96 0.198 1.887 2.013 1.00 0.00 H new ATOM 0 HB2 LYS B 96 2.567 2.543 0.180 1.00 0.00 H new ATOM 0 HB3 LYS B 96 1.254 1.463 -0.244 1.00 0.00 H new ATOM 0 HG2 LYS B 96 0.012 3.871 0.694 1.00 0.00 H new ATOM 0 HG3 LYS B 96 1.319 4.384 -0.354 1.00 0.00 H new ATOM 0 HD2 LYS B 96 0.470 2.672 -2.084 1.00 0.00 H new ATOM 0 HD3 LYS B 96 -0.931 2.434 -1.060 1.00 0.00 H new ATOM 0 HE2 LYS B 96 -0.055 5.166 -2.123 1.00 0.00 H new ATOM 0 HE3 LYS B 96 -1.268 4.166 -2.898 1.00 0.00 H new ATOM 0 HZ1 LYS B 96 -2.376 5.692 -1.457 1.00 0.00 H new ATOM 0 HZ2 LYS B 96 -2.495 4.160 -0.735 1.00 0.00 H new ATOM 0 HZ3 LYS B 96 -1.379 5.294 -0.142 1.00 0.00 H new ATOM 1481 N GLN B 97 2.150 -0.123 1.365 1.00 0.00 N ATOM 1482 CA GLN B 97 2.900 -1.374 1.638 1.00 0.00 C ATOM 1483 C GLN B 97 3.747 -1.658 0.398 1.00 0.00 C ATOM 1484 O GLN B 97 3.330 -1.376 -0.707 1.00 0.00 O ATOM 1485 CB GLN B 97 1.892 -2.500 1.868 1.00 0.00 C ATOM 1486 CG GLN B 97 1.322 -2.384 3.294 1.00 0.00 C ATOM 1487 CD GLN B 97 -0.168 -2.751 3.318 1.00 0.00 C ATOM 1488 OE1 GLN B 97 -0.805 -2.676 4.349 1.00 0.00 O ATOM 1489 NE2 GLN B 97 -0.753 -3.153 2.224 1.00 0.00 N ATOM 0 H GLN B 97 1.730 -0.079 0.436 1.00 0.00 H new ATOM 0 HA GLN B 97 3.537 -1.291 2.519 1.00 0.00 H new ATOM 0 HB2 GLN B 97 1.087 -2.439 1.135 1.00 0.00 H new ATOM 0 HB3 GLN B 97 2.373 -3.469 1.733 1.00 0.00 H new ATOM 0 HG2 GLN B 97 1.874 -3.042 3.965 1.00 0.00 H new ATOM 0 HG3 GLN B 97 1.456 -1.367 3.662 1.00 0.00 H new ATOM 0 HE21 GLN B 97 -0.222 -3.217 1.356 1.00 0.00 H new ATOM 0 HE22 GLN B 97 -1.742 -3.403 2.237 1.00 0.00 H new ATOM 1498 N TRP B 98 4.939 -2.167 0.546 1.00 0.00 N ATOM 1499 CA TRP B 98 5.780 -2.400 -0.663 1.00 0.00 C ATOM 1500 C TRP B 98 6.563 -3.706 -0.532 1.00 0.00 C ATOM 1501 O TRP B 98 7.089 -4.015 0.516 1.00 0.00 O ATOM 1502 CB TRP B 98 6.762 -1.233 -0.794 1.00 0.00 C ATOM 1503 CG TRP B 98 5.999 0.053 -0.816 1.00 0.00 C ATOM 1504 CD1 TRP B 98 5.565 0.725 0.277 1.00 0.00 C ATOM 1505 CD2 TRP B 98 5.573 0.827 -1.967 1.00 0.00 C ATOM 1506 NE1 TRP B 98 4.891 1.863 -0.139 1.00 0.00 N ATOM 1507 CE2 TRP B 98 4.871 1.969 -1.515 1.00 0.00 C ATOM 1508 CE3 TRP B 98 5.727 0.646 -3.345 1.00 0.00 C ATOM 1509 CZ2 TRP B 98 4.340 2.898 -2.409 1.00 0.00 C ATOM 1510 CZ3 TRP B 98 5.198 1.575 -4.249 1.00 0.00 C ATOM 1511 CH2 TRP B 98 4.503 2.699 -3.783 1.00 0.00 C ATOM 0 H TRP B 98 5.363 -2.428 1.436 1.00 0.00 H new ATOM 0 HA TRP B 98 5.140 -2.470 -1.543 1.00 0.00 H new ATOM 0 HB2 TRP B 98 7.465 -1.238 0.039 1.00 0.00 H new ATOM 0 HB3 TRP B 98 7.349 -1.337 -1.707 1.00 0.00 H new ATOM 0 HD1 TRP B 98 5.719 0.424 1.303 1.00 0.00 H new ATOM 0 HE1 TRP B 98 4.463 2.539 0.494 1.00 0.00 H new ATOM 0 HE3 TRP B 98 6.259 -0.218 -3.715 1.00 0.00 H new ATOM 0 HZ2 TRP B 98 3.808 3.764 -2.043 1.00 0.00 H new ATOM 0 HZ3 TRP B 98 5.326 1.425 -5.311 1.00 0.00 H new ATOM 0 HH2 TRP B 98 4.094 3.411 -4.485 1.00 0.00 H new ATOM 1522 N HIS B 99 6.680 -4.464 -1.595 1.00 0.00 N ATOM 1523 CA HIS B 99 7.476 -5.720 -1.495 1.00 0.00 C ATOM 1524 C HIS B 99 8.868 -5.324 -1.012 1.00 0.00 C ATOM 1525 O HIS B 99 9.472 -4.408 -1.534 1.00 0.00 O ATOM 1526 CB HIS B 99 7.609 -6.400 -2.860 1.00 0.00 C ATOM 1527 CG HIS B 99 6.379 -7.206 -3.172 1.00 0.00 C ATOM 1528 ND1 HIS B 99 5.553 -6.900 -4.240 1.00 0.00 N ATOM 1529 CD2 HIS B 99 5.833 -8.315 -2.582 1.00 0.00 C ATOM 1530 CE1 HIS B 99 4.561 -7.807 -4.263 1.00 0.00 C ATOM 1531 NE2 HIS B 99 4.685 -8.696 -3.272 1.00 0.00 N ATOM 0 H HIS B 99 6.267 -4.271 -2.508 1.00 0.00 H new ATOM 0 HA HIS B 99 6.984 -6.416 -0.816 1.00 0.00 H new ATOM 0 HB2 HIS B 99 7.763 -5.648 -3.634 1.00 0.00 H new ATOM 0 HB3 HIS B 99 8.486 -7.048 -2.866 1.00 0.00 H new ATOM 0 HD1 HIS B 99 5.675 -6.125 -4.892 1.00 0.00 H new ATOM 0 HD2 HIS B 99 6.232 -8.818 -1.713 1.00 0.00 H new ATOM 0 HE1 HIS B 99 3.763 -7.816 -4.991 1.00 0.00 H new ATOM 1539 N VAL B 100 9.388 -5.991 -0.034 1.00 0.00 N ATOM 1540 CA VAL B 100 10.741 -5.628 0.450 1.00 0.00 C ATOM 1541 C VAL B 100 11.693 -5.622 -0.740 1.00 0.00 C ATOM 1542 O VAL B 100 12.798 -5.121 -0.674 1.00 0.00 O ATOM 1543 CB VAL B 100 11.192 -6.666 1.474 1.00 0.00 C ATOM 1544 CG1 VAL B 100 12.714 -6.628 1.611 1.00 0.00 C ATOM 1545 CG2 VAL B 100 10.541 -6.350 2.819 1.00 0.00 C ATOM 0 H VAL B 100 8.940 -6.768 0.451 1.00 0.00 H new ATOM 0 HA VAL B 100 10.733 -4.643 0.917 1.00 0.00 H new ATOM 0 HB VAL B 100 10.893 -7.662 1.147 1.00 0.00 H new ATOM 0 HG11 VAL B 100 13.032 -7.370 2.343 1.00 0.00 H new ATOM 0 HG12 VAL B 100 13.172 -6.850 0.647 1.00 0.00 H new ATOM 0 HG13 VAL B 100 13.025 -5.637 1.941 1.00 0.00 H new ATOM 0 HG21 VAL B 100 10.857 -7.086 3.558 1.00 0.00 H new ATOM 0 HG22 VAL B 100 10.844 -5.355 3.145 1.00 0.00 H new ATOM 0 HG23 VAL B 100 9.456 -6.383 2.715 1.00 0.00 H new ATOM 1555 N GLU B 101 11.265 -6.195 -1.825 1.00 0.00 N ATOM 1556 CA GLU B 101 12.127 -6.258 -3.034 1.00 0.00 C ATOM 1557 C GLU B 101 11.799 -5.106 -3.992 1.00 0.00 C ATOM 1558 O GLU B 101 12.635 -4.684 -4.767 1.00 0.00 O ATOM 1559 CB GLU B 101 11.888 -7.596 -3.741 1.00 0.00 C ATOM 1560 CG GLU B 101 12.579 -7.604 -5.107 1.00 0.00 C ATOM 1561 CD GLU B 101 14.052 -7.221 -4.941 1.00 0.00 C ATOM 1562 OE1 GLU B 101 14.769 -7.972 -4.298 1.00 0.00 O ATOM 1563 OE2 GLU B 101 14.435 -6.185 -5.458 1.00 0.00 O ATOM 0 H GLU B 101 10.347 -6.627 -1.928 1.00 0.00 H new ATOM 0 HA GLU B 101 13.171 -6.170 -2.734 1.00 0.00 H new ATOM 0 HB2 GLU B 101 12.269 -8.413 -3.128 1.00 0.00 H new ATOM 0 HB3 GLU B 101 10.818 -7.764 -3.866 1.00 0.00 H new ATOM 0 HG2 GLU B 101 12.499 -8.592 -5.560 1.00 0.00 H new ATOM 0 HG3 GLU B 101 12.084 -6.903 -5.780 1.00 0.00 H new ATOM 1570 N HIS B 102 10.588 -4.602 -3.966 1.00 0.00 N ATOM 1571 CA HIS B 102 10.227 -3.491 -4.904 1.00 0.00 C ATOM 1572 C HIS B 102 10.325 -2.136 -4.205 1.00 0.00 C ATOM 1573 O HIS B 102 10.218 -1.105 -4.836 1.00 0.00 O ATOM 1574 CB HIS B 102 8.805 -3.696 -5.434 1.00 0.00 C ATOM 1575 CG HIS B 102 8.749 -4.973 -6.232 1.00 0.00 C ATOM 1576 ND1 HIS B 102 7.595 -5.743 -6.349 1.00 0.00 N ATOM 1577 CD2 HIS B 102 9.707 -5.626 -6.971 1.00 0.00 C ATOM 1578 CE1 HIS B 102 7.896 -6.799 -7.131 1.00 0.00 C ATOM 1579 NE2 HIS B 102 9.167 -6.774 -7.534 1.00 0.00 N ATOM 0 H HIS B 102 9.841 -4.908 -3.343 1.00 0.00 H new ATOM 0 HA HIS B 102 10.931 -3.504 -5.736 1.00 0.00 H new ATOM 0 HB2 HIS B 102 8.099 -3.741 -4.605 1.00 0.00 H new ATOM 0 HB3 HIS B 102 8.512 -2.851 -6.057 1.00 0.00 H new ATOM 0 HD2 HIS B 102 10.728 -5.295 -7.095 1.00 0.00 H new ATOM 0 HE1 HIS B 102 7.192 -7.573 -7.399 1.00 0.00 H new ATOM 0 HE2 HIS B 102 9.641 -7.453 -8.129 1.00 0.00 H new ATOM 1587 N PHE B 103 10.561 -2.109 -2.923 1.00 0.00 N ATOM 1588 CA PHE B 103 10.696 -0.792 -2.252 1.00 0.00 C ATOM 1589 C PHE B 103 12.103 -0.298 -2.529 1.00 0.00 C ATOM 1590 O PHE B 103 13.069 -0.822 -2.008 1.00 0.00 O ATOM 1591 CB PHE B 103 10.468 -0.902 -0.746 1.00 0.00 C ATOM 1592 CG PHE B 103 10.276 0.492 -0.188 1.00 0.00 C ATOM 1593 CD1 PHE B 103 9.211 1.286 -0.635 1.00 0.00 C ATOM 1594 CD2 PHE B 103 11.172 1.001 0.761 1.00 0.00 C ATOM 1595 CE1 PHE B 103 9.042 2.579 -0.135 1.00 0.00 C ATOM 1596 CE2 PHE B 103 11.000 2.296 1.261 1.00 0.00 C ATOM 1597 CZ PHE B 103 9.937 3.087 0.813 1.00 0.00 C ATOM 0 H PHE B 103 10.664 -2.927 -2.322 1.00 0.00 H new ATOM 0 HA PHE B 103 9.946 -0.100 -2.636 1.00 0.00 H new ATOM 0 HB2 PHE B 103 9.592 -1.517 -0.539 1.00 0.00 H new ATOM 0 HB3 PHE B 103 11.319 -1.388 -0.268 1.00 0.00 H new ATOM 0 HD1 PHE B 103 8.519 0.897 -1.368 1.00 0.00 H new ATOM 0 HD2 PHE B 103 11.995 0.394 1.107 1.00 0.00 H new ATOM 0 HE1 PHE B 103 8.219 3.188 -0.481 1.00 0.00 H new ATOM 0 HE2 PHE B 103 11.690 2.686 1.995 1.00 0.00 H new ATOM 0 HZ PHE B 103 9.807 4.088 1.198 1.00 0.00 H new ATOM 1607 N VAL B 104 12.232 0.668 -3.386 1.00 0.00 N ATOM 1608 CA VAL B 104 13.583 1.163 -3.752 1.00 0.00 C ATOM 1609 C VAL B 104 13.636 2.682 -3.729 1.00 0.00 C ATOM 1610 O VAL B 104 12.644 3.364 -3.552 1.00 0.00 O ATOM 1611 CB VAL B 104 13.896 0.710 -5.177 1.00 0.00 C ATOM 1612 CG1 VAL B 104 13.829 -0.820 -5.286 1.00 0.00 C ATOM 1613 CG2 VAL B 104 12.878 1.342 -6.132 1.00 0.00 C ATOM 0 H VAL B 104 11.457 1.139 -3.852 1.00 0.00 H new ATOM 0 HA VAL B 104 14.301 0.767 -3.033 1.00 0.00 H new ATOM 0 HB VAL B 104 14.905 1.028 -5.441 1.00 0.00 H new ATOM 0 HG11 VAL B 104 14.055 -1.122 -6.309 1.00 0.00 H new ATOM 0 HG12 VAL B 104 14.556 -1.265 -4.607 1.00 0.00 H new ATOM 0 HG13 VAL B 104 12.828 -1.160 -5.020 1.00 0.00 H new ATOM 0 HG21 VAL B 104 13.092 1.026 -7.153 1.00 0.00 H new ATOM 0 HG22 VAL B 104 11.873 1.023 -5.856 1.00 0.00 H new ATOM 0 HG23 VAL B 104 12.944 2.428 -6.067 1.00 0.00 H new ATOM 1623 N CYS B 105 14.805 3.204 -3.944 1.00 0.00 N ATOM 1624 CA CYS B 105 14.988 4.675 -3.983 1.00 0.00 C ATOM 1625 C CYS B 105 14.177 5.254 -5.139 1.00 0.00 C ATOM 1626 O CYS B 105 13.982 4.615 -6.154 1.00 0.00 O ATOM 1627 CB CYS B 105 16.470 4.962 -4.196 1.00 0.00 C ATOM 1628 SG CYS B 105 16.698 6.633 -4.856 1.00 0.00 S ATOM 0 H CYS B 105 15.657 2.664 -4.097 1.00 0.00 H new ATOM 0 HA CYS B 105 14.649 5.129 -3.052 1.00 0.00 H new ATOM 0 HB2 CYS B 105 17.006 4.860 -3.253 1.00 0.00 H new ATOM 0 HB3 CYS B 105 16.894 4.231 -4.884 1.00 0.00 H new ATOM 0 HG CYS B 105 17.965 6.924 -4.873 1.00 0.00 H new ATOM 1633 N ALA B 106 13.699 6.456 -4.996 1.00 0.00 N ATOM 1634 CA ALA B 106 12.899 7.074 -6.086 1.00 0.00 C ATOM 1635 C ALA B 106 13.818 7.874 -7.014 1.00 0.00 C ATOM 1636 O ALA B 106 13.410 8.839 -7.628 1.00 0.00 O ATOM 1637 CB ALA B 106 11.857 7.996 -5.460 1.00 0.00 C ATOM 0 H ALA B 106 13.828 7.039 -4.169 1.00 0.00 H new ATOM 0 HA ALA B 106 12.403 6.300 -6.672 1.00 0.00 H new ATOM 0 HB1 ALA B 106 11.261 8.458 -6.247 1.00 0.00 H new ATOM 0 HB2 ALA B 106 11.207 7.418 -4.804 1.00 0.00 H new ATOM 0 HB3 ALA B 106 12.358 8.772 -4.881 1.00 0.00 H new ATOM 1643 N LYS B 107 15.060 7.475 -7.120 1.00 0.00 N ATOM 1644 CA LYS B 107 16.020 8.208 -8.011 1.00 0.00 C ATOM 1645 C LYS B 107 16.897 7.210 -8.771 1.00 0.00 C ATOM 1646 O LYS B 107 17.326 7.470 -9.879 1.00 0.00 O ATOM 1647 CB LYS B 107 16.925 9.108 -7.161 1.00 0.00 C ATOM 1648 CG LYS B 107 17.853 9.924 -8.068 1.00 0.00 C ATOM 1649 CD LYS B 107 17.023 10.814 -9.004 1.00 0.00 C ATOM 1650 CE LYS B 107 17.803 12.093 -9.332 1.00 0.00 C ATOM 1651 NZ LYS B 107 17.649 13.068 -8.213 1.00 0.00 N ATOM 0 H LYS B 107 15.454 6.673 -6.629 1.00 0.00 H new ATOM 0 HA LYS B 107 15.451 8.810 -8.719 1.00 0.00 H new ATOM 0 HB2 LYS B 107 16.317 9.777 -6.552 1.00 0.00 H new ATOM 0 HB3 LYS B 107 17.515 8.500 -6.475 1.00 0.00 H new ATOM 0 HG2 LYS B 107 18.518 10.540 -7.462 1.00 0.00 H new ATOM 0 HG3 LYS B 107 18.483 9.255 -8.653 1.00 0.00 H new ATOM 0 HD2 LYS B 107 16.790 10.274 -9.922 1.00 0.00 H new ATOM 0 HD3 LYS B 107 16.073 11.067 -8.533 1.00 0.00 H new ATOM 0 HE2 LYS B 107 18.857 11.860 -9.484 1.00 0.00 H new ATOM 0 HE3 LYS B 107 17.435 12.528 -10.261 1.00 0.00 H new ATOM 0 HZ1 LYS B 107 17.772 14.035 -8.576 1.00 0.00 H new ATOM 0 HZ2 LYS B 107 16.701 12.972 -7.797 1.00 0.00 H new ATOM 0 HZ3 LYS B 107 18.367 12.878 -7.485 1.00 0.00 H new ATOM 1665 N CYS B 108 17.188 6.085 -8.176 1.00 0.00 N ATOM 1666 CA CYS B 108 18.065 5.080 -8.854 1.00 0.00 C ATOM 1667 C CYS B 108 17.402 3.706 -8.838 1.00 0.00 C ATOM 1668 O CYS B 108 17.796 2.811 -9.558 1.00 0.00 O ATOM 1669 CB CYS B 108 19.391 5.007 -8.101 1.00 0.00 C ATOM 1670 SG CYS B 108 19.080 4.387 -6.434 1.00 0.00 S ATOM 0 H CYS B 108 16.858 5.816 -7.249 1.00 0.00 H new ATOM 0 HA CYS B 108 18.230 5.379 -9.889 1.00 0.00 H new ATOM 0 HB2 CYS B 108 20.086 4.351 -8.624 1.00 0.00 H new ATOM 0 HB3 CYS B 108 19.855 5.992 -8.057 1.00 0.00 H new ATOM 0 HG CYS B 108 18.367 5.252 -5.775 1.00 0.00 H new ATOM 1675 N GLU B 109 16.403 3.526 -8.019 1.00 0.00 N ATOM 1676 CA GLU B 109 15.713 2.215 -7.950 1.00 0.00 C ATOM 1677 C GLU B 109 16.610 1.184 -7.269 1.00 0.00 C ATOM 1678 O GLU B 109 16.754 0.073 -7.734 1.00 0.00 O ATOM 1679 CB GLU B 109 15.336 1.732 -9.356 1.00 0.00 C ATOM 1680 CG GLU B 109 14.842 2.914 -10.202 1.00 0.00 C ATOM 1681 CD GLU B 109 13.859 2.414 -11.262 1.00 0.00 C ATOM 1682 OE1 GLU B 109 12.703 2.219 -10.926 1.00 0.00 O ATOM 1683 OE2 GLU B 109 14.280 2.234 -12.394 1.00 0.00 O ATOM 0 H GLU B 109 16.035 4.240 -7.390 1.00 0.00 H new ATOM 0 HA GLU B 109 14.801 2.335 -7.365 1.00 0.00 H new ATOM 0 HB2 GLU B 109 16.199 1.268 -9.834 1.00 0.00 H new ATOM 0 HB3 GLU B 109 14.559 0.970 -9.292 1.00 0.00 H new ATOM 0 HG2 GLU B 109 14.358 3.654 -9.564 1.00 0.00 H new ATOM 0 HG3 GLU B 109 15.687 3.409 -10.680 1.00 0.00 H new ATOM 1690 N LYS B 110 17.189 1.536 -6.150 1.00 0.00 N ATOM 1691 CA LYS B 110 18.045 0.567 -5.410 1.00 0.00 C ATOM 1692 C LYS B 110 17.215 0.015 -4.239 1.00 0.00 C ATOM 1693 O LYS B 110 16.913 0.744 -3.314 1.00 0.00 O ATOM 1694 CB LYS B 110 19.289 1.278 -4.871 1.00 0.00 C ATOM 1695 CG LYS B 110 20.365 0.241 -4.515 1.00 0.00 C ATOM 1696 CD LYS B 110 20.282 -0.108 -3.028 1.00 0.00 C ATOM 1697 CE LYS B 110 21.372 -1.123 -2.678 1.00 0.00 C ATOM 1698 NZ LYS B 110 22.691 -0.617 -3.151 1.00 0.00 N ATOM 0 H LYS B 110 17.104 2.456 -5.717 1.00 0.00 H new ATOM 0 HA LYS B 110 18.367 -0.240 -6.068 1.00 0.00 H new ATOM 0 HB2 LYS B 110 19.674 1.974 -5.617 1.00 0.00 H new ATOM 0 HB3 LYS B 110 19.031 1.865 -3.990 1.00 0.00 H new ATOM 0 HG2 LYS B 110 20.229 -0.658 -5.116 1.00 0.00 H new ATOM 0 HG3 LYS B 110 21.354 0.635 -4.750 1.00 0.00 H new ATOM 0 HD2 LYS B 110 20.402 0.792 -2.425 1.00 0.00 H new ATOM 0 HD3 LYS B 110 19.300 -0.519 -2.795 1.00 0.00 H new ATOM 0 HE2 LYS B 110 21.398 -1.288 -1.601 1.00 0.00 H new ATOM 0 HE3 LYS B 110 21.151 -2.084 -3.142 1.00 0.00 H new ATOM 0 HZ1 LYS B 110 23.454 -1.129 -2.664 1.00 0.00 H new ATOM 0 HZ2 LYS B 110 22.773 -0.767 -4.177 1.00 0.00 H new ATOM 0 HZ3 LYS B 110 22.768 0.399 -2.943 1.00 0.00 H new ATOM 1712 N PRO B 111 16.829 -1.239 -4.321 1.00 0.00 N ATOM 1713 CA PRO B 111 15.988 -1.860 -3.282 1.00 0.00 C ATOM 1714 C PRO B 111 16.738 -2.044 -1.969 1.00 0.00 C ATOM 1715 O PRO B 111 17.877 -2.462 -1.931 1.00 0.00 O ATOM 1716 CB PRO B 111 15.605 -3.229 -3.851 1.00 0.00 C ATOM 1717 CG PRO B 111 16.418 -3.438 -5.146 1.00 0.00 C ATOM 1718 CD PRO B 111 17.189 -2.138 -5.434 1.00 0.00 C ATOM 0 HA PRO B 111 15.127 -1.231 -3.055 1.00 0.00 H new ATOM 0 HB2 PRO B 111 15.822 -4.018 -3.131 1.00 0.00 H new ATOM 0 HB3 PRO B 111 14.536 -3.272 -4.059 1.00 0.00 H new ATOM 0 HG2 PRO B 111 17.108 -4.274 -5.033 1.00 0.00 H new ATOM 0 HG3 PRO B 111 15.756 -3.681 -5.977 1.00 0.00 H new ATOM 0 HD2 PRO B 111 18.264 -2.314 -5.470 1.00 0.00 H new ATOM 0 HD3 PRO B 111 16.904 -1.712 -6.396 1.00 0.00 H new ATOM 1726 N PHE B 112 16.072 -1.760 -0.889 1.00 0.00 N ATOM 1727 CA PHE B 112 16.700 -1.944 0.453 1.00 0.00 C ATOM 1728 C PHE B 112 16.292 -3.307 1.010 1.00 0.00 C ATOM 1729 O PHE B 112 15.728 -3.399 2.081 1.00 0.00 O ATOM 1730 CB PHE B 112 16.985 -0.699 2.175 1.00 0.00 C ATOM 1731 CG PHE B 112 16.007 0.426 0.668 1.00 0.00 C ATOM 1732 CD1 PHE B 112 14.810 0.632 -0.023 1.00 0.00 C ATOM 1733 CD2 PHE B 112 16.993 1.416 0.675 1.00 0.00 C ATOM 1734 CE1 PHE B 112 14.598 1.835 -0.711 1.00 0.00 C ATOM 1735 CE2 PHE B 112 16.785 2.615 -0.012 1.00 0.00 C ATOM 1736 CZ PHE B 112 15.587 2.827 -0.706 1.00 0.00 C ATOM 0 H PHE B 112 15.115 -1.407 -0.874 1.00 0.00 H new ATOM 0 HA PHE B 112 17.638 -1.626 -0.002 1.00 0.00 H new ATOM 0 HB2 PHE B 112 16.445 -0.935 3.092 1.00 0.00 H new ATOM 0 HB3 PHE B 112 17.999 -0.423 2.465 1.00 0.00 H new ATOM 0 HD1 PHE B 112 14.049 -0.135 -0.027 1.00 0.00 H new ATOM 0 HD2 PHE B 112 17.916 1.255 1.212 1.00 0.00 H new ATOM 0 HE1 PHE B 112 13.673 1.997 -1.244 1.00 0.00 H new ATOM 0 HE2 PHE B 112 17.549 3.379 -0.008 1.00 0.00 H new ATOM 0 HZ PHE B 112 15.426 3.754 -1.236 1.00 0.00 H new ATOM 1745 N LEU B 113 16.564 -4.361 0.295 1.00 0.00 N ATOM 1746 CA LEU B 113 16.182 -5.718 0.793 1.00 0.00 C ATOM 1747 C LEU B 113 16.427 -5.781 2.300 1.00 0.00 C ATOM 1748 O LEU B 113 15.539 -6.079 3.077 1.00 0.00 O ATOM 1749 CB LEU B 113 17.045 -6.774 0.096 1.00 0.00 C ATOM 1750 CG LEU B 113 16.384 -7.188 -1.220 1.00 0.00 C ATOM 1751 CD1 LEU B 113 16.210 -5.958 -2.092 1.00 0.00 C ATOM 1752 CD2 LEU B 113 17.261 -8.204 -1.953 1.00 0.00 C ATOM 0 H LEU B 113 17.033 -4.346 -0.611 1.00 0.00 H new ATOM 0 HA LEU B 113 15.130 -5.908 0.580 1.00 0.00 H new ATOM 0 HB2 LEU B 113 18.042 -6.376 -0.095 1.00 0.00 H new ATOM 0 HB3 LEU B 113 17.168 -7.643 0.743 1.00 0.00 H new ATOM 0 HG LEU B 113 15.415 -7.641 -1.010 1.00 0.00 H new ATOM 0 HD11 LEU B 113 15.739 -6.243 -3.033 1.00 0.00 H new ATOM 0 HD12 LEU B 113 15.581 -5.233 -1.576 1.00 0.00 H new ATOM 0 HD13 LEU B 113 17.185 -5.514 -2.294 1.00 0.00 H new ATOM 0 HD21 LEU B 113 16.781 -8.492 -2.888 1.00 0.00 H new ATOM 0 HD22 LEU B 113 18.233 -7.759 -2.166 1.00 0.00 H new ATOM 0 HD23 LEU B 113 17.395 -9.087 -1.328 1.00 0.00 H new ATOM 1764 N GLY B 114 17.625 -5.487 2.713 1.00 0.00 N ATOM 1765 CA GLY B 114 17.953 -5.505 4.166 1.00 0.00 C ATOM 1766 C GLY B 114 18.761 -4.254 4.507 1.00 0.00 C ATOM 1767 O GLY B 114 19.599 -4.265 5.388 1.00 0.00 O ATOM 0 H GLY B 114 18.400 -5.232 2.101 1.00 0.00 H new ATOM 0 HA2 GLY B 114 17.039 -5.536 4.758 1.00 0.00 H new ATOM 0 HA3 GLY B 114 18.523 -6.401 4.413 1.00 0.00 H new ATOM 1771 N HIS B 115 18.517 -3.176 3.807 1.00 0.00 N ATOM 1772 CA HIS B 115 19.274 -1.914 4.077 1.00 0.00 C ATOM 1773 C HIS B 115 18.316 -0.825 4.568 1.00 0.00 C ATOM 1774 O HIS B 115 17.123 -1.032 4.674 1.00 0.00 O ATOM 1775 CB HIS B 115 19.962 -1.449 2.789 1.00 0.00 C ATOM 1776 CG HIS B 115 20.343 -2.641 1.957 1.00 0.00 C ATOM 1777 ND1 HIS B 115 20.223 -2.649 0.576 1.00 0.00 N ATOM 1778 CD2 HIS B 115 20.842 -3.873 2.297 1.00 0.00 C ATOM 1779 CE1 HIS B 115 20.642 -3.852 0.140 1.00 0.00 C ATOM 1780 NE2 HIS B 115 21.031 -4.637 1.148 1.00 0.00 N ATOM 0 H HIS B 115 17.826 -3.114 3.059 1.00 0.00 H new ATOM 0 HA HIS B 115 20.023 -2.102 4.846 1.00 0.00 H new ATOM 0 HB2 HIS B 115 19.295 -0.798 2.224 1.00 0.00 H new ATOM 0 HB3 HIS B 115 20.849 -0.864 3.031 1.00 0.00 H new ATOM 0 HD2 HIS B 115 21.056 -4.201 3.304 1.00 0.00 H new ATOM 0 HE1 HIS B 115 20.661 -4.146 -0.899 1.00 0.00 H new ATOM 0 HE2 HIS B 115 21.389 -5.590 1.089 1.00 0.00 H new ATOM 1788 N ARG B 116 18.836 0.337 4.865 1.00 0.00 N ATOM 1789 CA ARG B 116 17.971 1.453 5.350 1.00 0.00 C ATOM 1790 C ARG B 116 17.569 2.334 4.164 1.00 0.00 C ATOM 1791 O ARG B 116 18.338 2.536 3.244 1.00 0.00 O ATOM 1792 CB ARG B 116 18.753 2.292 6.369 1.00 0.00 C ATOM 1793 CG ARG B 116 18.075 3.654 6.563 1.00 0.00 C ATOM 1794 CD ARG B 116 18.642 4.336 7.809 1.00 0.00 C ATOM 1795 NE ARG B 116 17.834 5.550 8.120 1.00 0.00 N ATOM 1796 CZ ARG B 116 17.938 6.119 9.288 1.00 0.00 C ATOM 1797 NH1 ARG B 116 18.747 5.627 10.187 1.00 0.00 N ATOM 1798 NH2 ARG B 116 17.229 7.182 9.563 1.00 0.00 N ATOM 0 H ARG B 116 19.828 0.562 4.792 1.00 0.00 H new ATOM 0 HA ARG B 116 17.076 1.047 5.821 1.00 0.00 H new ATOM 0 HB2 ARG B 116 18.806 1.765 7.321 1.00 0.00 H new ATOM 0 HB3 ARG B 116 19.778 2.433 6.025 1.00 0.00 H new ATOM 0 HG2 ARG B 116 18.238 4.281 5.687 1.00 0.00 H new ATOM 0 HG3 ARG B 116 16.998 3.524 6.666 1.00 0.00 H new ATOM 0 HD2 ARG B 116 18.624 3.648 8.654 1.00 0.00 H new ATOM 0 HD3 ARG B 116 19.684 4.611 7.644 1.00 0.00 H new ATOM 0 HE ARG B 116 17.200 5.935 7.419 1.00 0.00 H new ATOM 0 HH11 ARG B 116 19.299 4.796 9.976 1.00 0.00 H new ATOM 0 HH12 ARG B 116 18.827 6.074 11.100 1.00 0.00 H new ATOM 0 HH21 ARG B 116 16.594 7.567 8.863 1.00 0.00 H new ATOM 0 HH22 ARG B 116 17.311 7.627 10.477 1.00 0.00 H new ATOM 1812 N HIS B 117 16.377 2.875 4.185 1.00 0.00 N ATOM 1813 CA HIS B 117 15.932 3.756 3.063 1.00 0.00 C ATOM 1814 C HIS B 117 15.696 5.165 3.587 1.00 0.00 C ATOM 1815 O HIS B 117 15.695 5.412 4.778 1.00 0.00 O ATOM 1816 CB HIS B 117 14.635 3.234 2.455 1.00 0.00 C ATOM 1817 CG HIS B 117 13.701 2.820 3.556 1.00 0.00 C ATOM 1818 ND1 HIS B 117 13.714 1.547 4.100 1.00 0.00 N ATOM 1819 CD2 HIS B 117 12.713 3.504 4.224 1.00 0.00 C ATOM 1820 CE1 HIS B 117 12.764 1.502 5.056 1.00 0.00 C ATOM 1821 NE2 HIS B 117 12.126 2.671 5.171 1.00 0.00 N ATOM 0 H HIS B 117 15.693 2.745 4.930 1.00 0.00 H new ATOM 0 HA HIS B 117 16.709 3.763 2.299 1.00 0.00 H new ATOM 0 HB2 HIS B 117 14.172 4.006 1.841 1.00 0.00 H new ATOM 0 HB3 HIS B 117 14.842 2.387 1.801 1.00 0.00 H new ATOM 0 HD2 HIS B 117 12.435 4.531 4.041 1.00 0.00 H new ATOM 0 HE1 HIS B 117 12.546 0.630 5.654 1.00 0.00 H new ATOM 0 HE2 HIS B 117 11.370 2.903 5.815 1.00 0.00 H new ATOM 1829 N TYR B 118 15.511 6.092 2.694 1.00 0.00 N ATOM 1830 CA TYR B 118 15.291 7.502 3.101 1.00 0.00 C ATOM 1831 C TYR B 118 14.087 8.059 2.330 1.00 0.00 C ATOM 1832 O TYR B 118 13.917 7.795 1.156 1.00 0.00 O ATOM 1833 CB TYR B 118 16.571 8.270 2.779 1.00 0.00 C ATOM 1834 CG TYR B 118 17.739 7.466 3.311 1.00 0.00 C ATOM 1835 CD1 TYR B 118 18.096 6.255 2.697 1.00 0.00 C ATOM 1836 CD2 TYR B 118 18.445 7.906 4.437 1.00 0.00 C ATOM 1837 CE1 TYR B 118 19.150 5.493 3.208 1.00 0.00 C ATOM 1838 CE2 TYR B 118 19.498 7.136 4.945 1.00 0.00 C ATOM 1839 CZ TYR B 118 19.848 5.933 4.332 1.00 0.00 C ATOM 1840 OH TYR B 118 20.882 5.175 4.847 1.00 0.00 O ATOM 0 H TYR B 118 15.503 5.930 1.687 1.00 0.00 H new ATOM 0 HA TYR B 118 15.074 7.593 4.165 1.00 0.00 H new ATOM 0 HB2 TYR B 118 16.667 8.418 1.703 1.00 0.00 H new ATOM 0 HB3 TYR B 118 16.548 9.259 3.236 1.00 0.00 H new ATOM 0 HD1 TYR B 118 17.555 5.912 1.828 1.00 0.00 H new ATOM 0 HD2 TYR B 118 18.178 8.838 4.913 1.00 0.00 H new ATOM 0 HE1 TYR B 118 19.424 4.563 2.732 1.00 0.00 H new ATOM 0 HE2 TYR B 118 20.041 7.475 5.815 1.00 0.00 H new ATOM 0 HH TYR B 118 20.993 4.364 4.308 1.00 0.00 H new ATOM 1850 N GLU B 119 13.230 8.795 2.992 1.00 0.00 N ATOM 1851 CA GLU B 119 12.007 9.332 2.312 1.00 0.00 C ATOM 1852 C GLU B 119 12.128 10.834 2.060 1.00 0.00 C ATOM 1853 O GLU B 119 12.735 11.563 2.819 1.00 0.00 O ATOM 1854 CB GLU B 119 10.790 9.073 3.204 1.00 0.00 C ATOM 1855 CG GLU B 119 10.292 7.643 2.991 1.00 0.00 C ATOM 1856 CD GLU B 119 9.252 7.299 4.058 1.00 0.00 C ATOM 1857 OE1 GLU B 119 8.086 7.572 3.829 1.00 0.00 O ATOM 1858 OE2 GLU B 119 9.640 6.767 5.085 1.00 0.00 O ATOM 0 H GLU B 119 13.323 9.049 3.976 1.00 0.00 H new ATOM 0 HA GLU B 119 11.896 8.830 1.351 1.00 0.00 H new ATOM 0 HB2 GLU B 119 11.055 9.224 4.250 1.00 0.00 H new ATOM 0 HB3 GLU B 119 9.997 9.783 2.970 1.00 0.00 H new ATOM 0 HG2 GLU B 119 9.855 7.543 1.997 1.00 0.00 H new ATOM 0 HG3 GLU B 119 11.127 6.944 3.044 1.00 0.00 H new ATOM 1865 N ARG B 120 11.528 11.300 0.995 1.00 0.00 N ATOM 1866 CA ARG B 120 11.578 12.757 0.681 1.00 0.00 C ATOM 1867 C ARG B 120 10.334 13.173 -0.111 1.00 0.00 C ATOM 1868 O ARG B 120 9.986 12.575 -1.109 1.00 0.00 O ATOM 1869 CB ARG B 120 12.819 13.071 -0.148 1.00 0.00 C ATOM 1870 CG ARG B 120 12.930 14.593 -0.357 1.00 0.00 C ATOM 1871 CD ARG B 120 12.973 14.913 -1.852 1.00 0.00 C ATOM 1872 NE ARG B 120 11.843 14.235 -2.544 1.00 0.00 N ATOM 1873 CZ ARG B 120 11.522 14.583 -3.762 1.00 0.00 C ATOM 1874 NH1 ARG B 120 12.193 15.522 -4.371 1.00 0.00 N ATOM 1875 NH2 ARG B 120 10.529 13.991 -4.370 1.00 0.00 N ATOM 0 H ARG B 120 11.005 10.732 0.329 1.00 0.00 H new ATOM 0 HA ARG B 120 11.613 13.309 1.620 1.00 0.00 H new ATOM 0 HB2 ARG B 120 13.710 12.697 0.357 1.00 0.00 H new ATOM 0 HB3 ARG B 120 12.763 12.565 -1.112 1.00 0.00 H new ATOM 0 HG2 ARG B 120 12.081 15.095 0.107 1.00 0.00 H new ATOM 0 HG3 ARG B 120 13.829 14.971 0.130 1.00 0.00 H new ATOM 0 HD2 ARG B 120 12.911 15.990 -2.005 1.00 0.00 H new ATOM 0 HD3 ARG B 120 13.922 14.585 -2.277 1.00 0.00 H new ATOM 0 HE ARG B 120 11.320 13.500 -2.068 1.00 0.00 H new ATOM 0 HH11 ARG B 120 12.968 15.985 -3.896 1.00 0.00 H new ATOM 0 HH12 ARG B 120 11.942 15.793 -5.322 1.00 0.00 H new ATOM 0 HH21 ARG B 120 10.004 13.257 -3.894 1.00 0.00 H new ATOM 0 HH22 ARG B 120 10.278 14.263 -5.321 1.00 0.00 H new ATOM 1889 N LYS B 121 9.676 14.208 0.331 1.00 0.00 N ATOM 1890 CA LYS B 121 8.461 14.700 -0.374 1.00 0.00 C ATOM 1891 C LYS B 121 7.503 13.543 -0.598 1.00 0.00 C ATOM 1892 O LYS B 121 6.659 13.581 -1.469 1.00 0.00 O ATOM 1893 CB LYS B 121 8.847 15.312 -1.721 1.00 0.00 C ATOM 1894 CG LYS B 121 9.629 16.608 -1.494 1.00 0.00 C ATOM 1895 CD LYS B 121 9.685 17.406 -2.798 1.00 0.00 C ATOM 1896 CE LYS B 121 10.419 18.726 -2.558 1.00 0.00 C ATOM 1897 NZ LYS B 121 9.554 19.635 -1.756 1.00 0.00 N ATOM 0 H LYS B 121 9.933 14.741 1.162 1.00 0.00 H new ATOM 0 HA LYS B 121 7.978 15.463 0.237 1.00 0.00 H new ATOM 0 HB2 LYS B 121 9.451 14.607 -2.292 1.00 0.00 H new ATOM 0 HB3 LYS B 121 7.952 15.514 -2.309 1.00 0.00 H new ATOM 0 HG2 LYS B 121 9.153 17.201 -0.713 1.00 0.00 H new ATOM 0 HG3 LYS B 121 10.638 16.381 -1.151 1.00 0.00 H new ATOM 0 HD2 LYS B 121 10.196 16.828 -3.568 1.00 0.00 H new ATOM 0 HD3 LYS B 121 8.676 17.600 -3.162 1.00 0.00 H new ATOM 0 HE2 LYS B 121 11.357 18.543 -2.034 1.00 0.00 H new ATOM 0 HE3 LYS B 121 10.671 19.193 -3.510 1.00 0.00 H new ATOM 0 HZ1 LYS B 121 9.919 20.607 -1.819 1.00 0.00 H new ATOM 0 HZ2 LYS B 121 8.582 19.606 -2.126 1.00 0.00 H new ATOM 0 HZ3 LYS B 121 9.555 19.328 -0.762 1.00 0.00 H new ATOM 1911 N GLY B 122 7.619 12.519 0.190 1.00 0.00 N ATOM 1912 CA GLY B 122 6.703 11.365 0.025 1.00 0.00 C ATOM 1913 C GLY B 122 7.265 10.407 -1.017 1.00 0.00 C ATOM 1914 O GLY B 122 6.539 9.734 -1.720 1.00 0.00 O ATOM 0 H GLY B 122 8.306 12.430 0.939 1.00 0.00 H new ATOM 0 HA2 GLY B 122 6.578 10.849 0.977 1.00 0.00 H new ATOM 0 HA3 GLY B 122 5.716 11.713 -0.281 1.00 0.00 H new ATOM 1918 N LEU B 123 8.559 10.340 -1.115 1.00 0.00 N ATOM 1919 CA LEU B 123 9.193 9.421 -2.098 1.00 0.00 C ATOM 1920 C LEU B 123 10.461 8.843 -1.482 1.00 0.00 C ATOM 1921 O LEU B 123 11.173 9.508 -0.756 1.00 0.00 O ATOM 1922 CB LEU B 123 9.543 10.176 -3.379 1.00 0.00 C ATOM 1923 CG LEU B 123 8.316 10.285 -4.284 1.00 0.00 C ATOM 1924 CD1 LEU B 123 8.694 11.083 -5.532 1.00 0.00 C ATOM 1925 CD2 LEU B 123 7.843 8.877 -4.690 1.00 0.00 C ATOM 0 H LEU B 123 9.211 10.886 -0.552 1.00 0.00 H new ATOM 0 HA LEU B 123 8.498 8.619 -2.346 1.00 0.00 H new ATOM 0 HB2 LEU B 123 9.911 11.172 -3.133 1.00 0.00 H new ATOM 0 HB3 LEU B 123 10.346 9.660 -3.905 1.00 0.00 H new ATOM 0 HG LEU B 123 7.508 10.789 -3.753 1.00 0.00 H new ATOM 0 HD11 LEU B 123 7.826 11.168 -6.186 1.00 0.00 H new ATOM 0 HD12 LEU B 123 9.027 12.079 -5.240 1.00 0.00 H new ATOM 0 HD13 LEU B 123 9.499 10.572 -6.061 1.00 0.00 H new ATOM 0 HD21 LEU B 123 6.968 8.959 -5.335 1.00 0.00 H new ATOM 0 HD22 LEU B 123 8.642 8.365 -5.226 1.00 0.00 H new ATOM 0 HD23 LEU B 123 7.583 8.309 -3.797 1.00 0.00 H new ATOM 1937 N ALA B 124 10.741 7.602 -1.748 1.00 0.00 N ATOM 1938 CA ALA B 124 11.952 6.975 -1.158 1.00 0.00 C ATOM 1939 C ALA B 124 13.207 7.442 -1.885 1.00 0.00 C ATOM 1940 O ALA B 124 13.183 7.775 -3.053 1.00 0.00 O ATOM 1941 CB ALA B 124 11.860 5.458 -1.286 1.00 0.00 C ATOM 0 H ALA B 124 10.184 6.994 -2.348 1.00 0.00 H new ATOM 0 HA ALA B 124 12.009 7.266 -0.109 1.00 0.00 H new ATOM 0 HB1 ALA B 124 12.750 5.002 -0.852 1.00 0.00 H new ATOM 0 HB2 ALA B 124 10.975 5.101 -0.758 1.00 0.00 H new ATOM 0 HB3 ALA B 124 11.789 5.185 -2.339 1.00 0.00 H new ATOM 1947 N TYR B 125 14.311 7.439 -1.195 1.00 0.00 N ATOM 1948 CA TYR B 125 15.586 7.847 -1.826 1.00 0.00 C ATOM 1949 C TYR B 125 16.730 7.172 -1.094 1.00 0.00 C ATOM 1950 O TYR B 125 16.713 7.063 0.111 1.00 0.00 O ATOM 1951 CB TYR B 125 15.752 9.357 -1.726 1.00 0.00 C ATOM 1952 CG TYR B 125 14.864 10.016 -2.734 1.00 0.00 C ATOM 1953 CD1 TYR B 125 15.274 10.125 -4.063 1.00 0.00 C ATOM 1954 CD2 TYR B 125 13.628 10.518 -2.337 1.00 0.00 C ATOM 1955 CE1 TYR B 125 14.431 10.740 -5.002 1.00 0.00 C ATOM 1956 CE2 TYR B 125 12.793 11.129 -3.263 1.00 0.00 C ATOM 1957 CZ TYR B 125 13.189 11.242 -4.598 1.00 0.00 C ATOM 1958 OH TYR B 125 12.358 11.849 -5.516 1.00 0.00 O ATOM 0 H TYR B 125 14.381 7.169 -0.214 1.00 0.00 H new ATOM 0 HA TYR B 125 15.584 7.555 -2.876 1.00 0.00 H new ATOM 0 HB2 TYR B 125 15.498 9.697 -0.722 1.00 0.00 H new ATOM 0 HB3 TYR B 125 16.791 9.633 -1.903 1.00 0.00 H new ATOM 0 HD1 TYR B 125 16.235 9.738 -4.368 1.00 0.00 H new ATOM 0 HD2 TYR B 125 13.318 10.432 -1.306 1.00 0.00 H new ATOM 0 HE1 TYR B 125 14.740 10.825 -6.033 1.00 0.00 H new ATOM 0 HE2 TYR B 125 11.835 11.518 -2.950 1.00 0.00 H new ATOM 0 HH TYR B 125 11.424 11.713 -5.252 1.00 0.00 H new ATOM 1968 N CYS B 126 17.724 6.717 -1.789 1.00 0.00 N ATOM 1969 CA CYS B 126 18.844 6.066 -1.070 1.00 0.00 C ATOM 1970 C CYS B 126 19.415 7.063 -0.056 1.00 0.00 C ATOM 1971 O CYS B 126 18.996 8.199 0.014 1.00 0.00 O ATOM 1972 CB CYS B 126 19.958 5.688 -2.045 1.00 0.00 C ATOM 1973 SG CYS B 126 19.399 4.366 -3.138 1.00 0.00 S ATOM 0 H CYS B 126 17.812 6.765 -2.804 1.00 0.00 H new ATOM 0 HA CYS B 126 18.475 5.167 -0.577 1.00 0.00 H new ATOM 0 HB2 CYS B 126 20.249 6.559 -2.633 1.00 0.00 H new ATOM 0 HB3 CYS B 126 20.841 5.366 -1.494 1.00 0.00 H new ATOM 0 HG CYS B 126 19.406 4.788 -4.368 1.00 0.00 H new ATOM 1978 N GLU B 127 20.380 6.649 0.710 1.00 0.00 N ATOM 1979 CA GLU B 127 21.000 7.576 1.703 1.00 0.00 C ATOM 1980 C GLU B 127 21.678 8.733 0.963 1.00 0.00 C ATOM 1981 O GLU B 127 21.705 9.855 1.429 1.00 0.00 O ATOM 1982 CB GLU B 127 22.072 6.828 2.502 1.00 0.00 C ATOM 1983 CG GLU B 127 22.555 7.704 3.663 1.00 0.00 C ATOM 1984 CD GLU B 127 23.313 6.838 4.672 1.00 0.00 C ATOM 1985 OE1 GLU B 127 23.784 5.783 4.284 1.00 0.00 O ATOM 1986 OE2 GLU B 127 23.410 7.247 5.817 1.00 0.00 O ATOM 0 H GLU B 127 20.770 5.707 0.695 1.00 0.00 H new ATOM 0 HA GLU B 127 20.225 7.953 2.371 1.00 0.00 H new ATOM 0 HB2 GLU B 127 21.667 5.891 2.885 1.00 0.00 H new ATOM 0 HB3 GLU B 127 22.910 6.572 1.854 1.00 0.00 H new ATOM 0 HG2 GLU B 127 23.202 8.498 3.290 1.00 0.00 H new ATOM 0 HG3 GLU B 127 21.706 8.187 4.147 1.00 0.00 H new ATOM 1993 N THR B 128 22.253 8.451 -0.172 1.00 0.00 N ATOM 1994 CA THR B 128 22.970 9.506 -0.943 1.00 0.00 C ATOM 1995 C THR B 128 22.016 10.269 -1.857 1.00 0.00 C ATOM 1996 O THR B 128 22.081 11.478 -1.946 1.00 0.00 O ATOM 1997 CB THR B 128 24.070 8.858 -1.787 1.00 0.00 C ATOM 1998 OG1 THR B 128 25.039 8.273 -0.927 1.00 0.00 O ATOM 1999 CG2 THR B 128 24.737 9.920 -2.662 1.00 0.00 C ATOM 0 H THR B 128 22.257 7.527 -0.603 1.00 0.00 H new ATOM 0 HA THR B 128 23.404 10.212 -0.235 1.00 0.00 H new ATOM 0 HB THR B 128 23.635 8.088 -2.424 1.00 0.00 H new ATOM 0 HG1 THR B 128 25.744 7.856 -1.465 1.00 0.00 H new ATOM 0 HG21 THR B 128 25.520 9.457 -3.263 1.00 0.00 H new ATOM 0 HG22 THR B 128 23.993 10.369 -3.320 1.00 0.00 H new ATOM 0 HG23 THR B 128 25.174 10.692 -2.028 1.00 0.00 H new ATOM 2007 N HIS B 129 21.142 9.598 -2.545 1.00 0.00 N ATOM 2008 CA HIS B 129 20.225 10.326 -3.442 1.00 0.00 C ATOM 2009 C HIS B 129 19.303 11.174 -2.590 1.00 0.00 C ATOM 2010 O HIS B 129 19.085 12.334 -2.864 1.00 0.00 O ATOM 2011 CB HIS B 129 19.432 9.330 -4.288 1.00 0.00 C ATOM 2012 CG HIS B 129 20.404 8.558 -5.152 1.00 0.00 C ATOM 2013 ND1 HIS B 129 20.301 7.188 -5.401 1.00 0.00 N ATOM 2014 CD2 HIS B 129 21.528 8.968 -5.828 1.00 0.00 C ATOM 2015 CE1 HIS B 129 21.335 6.842 -6.192 1.00 0.00 C ATOM 2016 NE2 HIS B 129 22.110 7.888 -6.482 1.00 0.00 N ATOM 0 H HIS B 129 21.026 8.585 -2.523 1.00 0.00 H new ATOM 0 HA HIS B 129 20.782 10.971 -4.122 1.00 0.00 H new ATOM 0 HB2 HIS B 129 18.871 8.650 -3.647 1.00 0.00 H new ATOM 0 HB3 HIS B 129 18.706 9.854 -4.909 1.00 0.00 H new ATOM 0 HD2 HIS B 129 21.904 9.980 -5.848 1.00 0.00 H new ATOM 0 HE1 HIS B 129 21.515 5.838 -6.548 1.00 0.00 H new ATOM 0 HE2 HIS B 129 22.950 7.894 -7.060 1.00 0.00 H new ATOM 2024 N TYR B 130 18.801 10.626 -1.526 1.00 0.00 N ATOM 2025 CA TYR B 130 17.940 11.423 -0.644 1.00 0.00 C ATOM 2026 C TYR B 130 18.688 12.693 -0.316 1.00 0.00 C ATOM 2027 O TYR B 130 18.226 13.793 -0.537 1.00 0.00 O ATOM 2028 CB TYR B 130 17.726 10.648 0.649 1.00 0.00 C ATOM 2029 CG TYR B 130 17.085 11.545 1.676 1.00 0.00 C ATOM 2030 CD1 TYR B 130 16.113 12.469 1.286 1.00 0.00 C ATOM 2031 CD2 TYR B 130 17.465 11.456 3.020 1.00 0.00 C ATOM 2032 CE1 TYR B 130 15.522 13.297 2.233 1.00 0.00 C ATOM 2033 CE2 TYR B 130 16.870 12.288 3.970 1.00 0.00 C ATOM 2034 CZ TYR B 130 15.895 13.209 3.578 1.00 0.00 C ATOM 2035 OH TYR B 130 15.306 14.034 4.516 1.00 0.00 O ATOM 0 H TYR B 130 18.954 9.660 -1.235 1.00 0.00 H new ATOM 0 HA TYR B 130 16.982 11.638 -1.118 1.00 0.00 H new ATOM 0 HB2 TYR B 130 17.093 9.780 0.464 1.00 0.00 H new ATOM 0 HB3 TYR B 130 18.679 10.274 1.023 1.00 0.00 H new ATOM 0 HD1 TYR B 130 15.821 12.540 0.249 1.00 0.00 H new ATOM 0 HD2 TYR B 130 18.218 10.744 3.322 1.00 0.00 H new ATOM 0 HE1 TYR B 130 14.771 14.012 1.929 1.00 0.00 H new ATOM 0 HE2 TYR B 130 17.163 12.220 5.007 1.00 0.00 H new ATOM 0 HH TYR B 130 15.967 14.679 4.846 1.00 0.00 H new ATOM 2045 N ASN B 131 19.853 12.520 0.217 1.00 0.00 N ATOM 2046 CA ASN B 131 20.669 13.689 0.574 1.00 0.00 C ATOM 2047 C ASN B 131 21.040 14.447 -0.694 1.00 0.00 C ATOM 2048 O ASN B 131 20.931 15.656 -0.755 1.00 0.00 O ATOM 2049 CB ASN B 131 21.935 13.239 1.303 1.00 0.00 C ATOM 2050 CG ASN B 131 21.599 12.899 2.756 1.00 0.00 C ATOM 2051 OD1 ASN B 131 21.564 13.769 3.603 1.00 0.00 O ATOM 2052 ND2 ASN B 131 21.351 11.660 3.083 1.00 0.00 N ATOM 0 H ASN B 131 20.275 11.614 0.421 1.00 0.00 H new ATOM 0 HA ASN B 131 20.099 14.342 1.234 1.00 0.00 H new ATOM 0 HB2 ASN B 131 22.363 12.369 0.805 1.00 0.00 H new ATOM 0 HB3 ASN B 131 22.686 14.028 1.268 1.00 0.00 H new ATOM 0 HD21 ASN B 131 21.128 11.423 4.050 1.00 0.00 H new ATOM 0 HD22 ASN B 131 21.380 10.929 2.372 1.00 0.00 H new ATOM 2059 N GLN B 132 21.450 13.756 -1.723 1.00 0.00 N ATOM 2060 CA GLN B 132 21.786 14.480 -2.982 1.00 0.00 C ATOM 2061 C GLN B 132 20.568 15.308 -3.350 1.00 0.00 C ATOM 2062 O GLN B 132 20.660 16.404 -3.865 1.00 0.00 O ATOM 2063 CB GLN B 132 22.095 13.489 -4.111 1.00 0.00 C ATOM 2064 CG GLN B 132 22.897 14.194 -5.207 1.00 0.00 C ATOM 2065 CD GLN B 132 24.343 14.379 -4.747 1.00 0.00 C ATOM 2066 OE1 GLN B 132 24.652 14.192 -3.586 1.00 0.00 O ATOM 2067 NE2 GLN B 132 25.251 14.735 -5.612 1.00 0.00 N ATOM 0 H GLN B 132 21.565 12.743 -1.748 1.00 0.00 H new ATOM 0 HA GLN B 132 22.667 15.105 -2.839 1.00 0.00 H new ATOM 0 HB2 GLN B 132 22.659 12.642 -3.721 1.00 0.00 H new ATOM 0 HB3 GLN B 132 21.168 13.091 -4.523 1.00 0.00 H new ATOM 0 HG2 GLN B 132 22.869 13.608 -6.126 1.00 0.00 H new ATOM 0 HG3 GLN B 132 22.450 15.162 -5.433 1.00 0.00 H new ATOM 0 HE21 GLN B 132 24.993 14.892 -6.586 1.00 0.00 H new ATOM 0 HE22 GLN B 132 26.219 14.856 -5.314 1.00 0.00 H new ATOM 2076 N LEU B 133 19.417 14.775 -3.057 1.00 0.00 N ATOM 2077 CA LEU B 133 18.151 15.495 -3.344 1.00 0.00 C ATOM 2078 C LEU B 133 17.915 16.553 -2.267 1.00 0.00 C ATOM 2079 O LEU B 133 17.386 17.617 -2.533 1.00 0.00 O ATOM 2080 CB LEU B 133 16.988 14.490 -3.325 1.00 0.00 C ATOM 2081 CG LEU B 133 16.727 13.938 -4.736 1.00 0.00 C ATOM 2082 CD1 LEU B 133 17.537 12.661 -4.970 1.00 0.00 C ATOM 2083 CD2 LEU B 133 15.244 13.614 -4.878 1.00 0.00 C ATOM 0 H LEU B 133 19.300 13.858 -2.625 1.00 0.00 H new ATOM 0 HA LEU B 133 18.213 15.974 -4.321 1.00 0.00 H new ATOM 0 HB2 LEU B 133 17.220 13.670 -2.645 1.00 0.00 H new ATOM 0 HB3 LEU B 133 16.088 14.974 -2.946 1.00 0.00 H new ATOM 0 HG LEU B 133 17.025 14.688 -5.468 1.00 0.00 H new ATOM 0 HD11 LEU B 133 17.340 12.284 -5.974 1.00 0.00 H new ATOM 0 HD12 LEU B 133 18.600 12.880 -4.867 1.00 0.00 H new ATOM 0 HD13 LEU B 133 17.249 11.908 -4.237 1.00 0.00 H new ATOM 0 HD21 LEU B 133 15.051 13.222 -5.877 1.00 0.00 H new ATOM 0 HD22 LEU B 133 14.962 12.868 -4.135 1.00 0.00 H new ATOM 0 HD23 LEU B 133 14.657 14.520 -4.724 1.00 0.00 H new ATOM 2095 N PHE B 134 18.290 16.268 -1.054 1.00 0.00 N ATOM 2096 CA PHE B 134 18.074 17.253 0.045 1.00 0.00 C ATOM 2097 C PHE B 134 19.025 16.960 1.205 1.00 0.00 C ATOM 2098 O PHE B 134 20.059 17.581 1.351 1.00 0.00 O ATOM 2099 CB PHE B 134 16.626 17.138 0.538 1.00 0.00 C ATOM 2100 CG PHE B 134 15.734 18.016 -0.305 1.00 0.00 C ATOM 2101 CD1 PHE B 134 15.597 19.377 -0.003 1.00 0.00 C ATOM 2102 CD2 PHE B 134 15.048 17.467 -1.391 1.00 0.00 C ATOM 2103 CE1 PHE B 134 14.771 20.187 -0.791 1.00 0.00 C ATOM 2104 CE2 PHE B 134 14.221 18.277 -2.182 1.00 0.00 C ATOM 2105 CZ PHE B 134 14.083 19.639 -1.879 1.00 0.00 C ATOM 0 H PHE B 134 18.737 15.395 -0.773 1.00 0.00 H new ATOM 0 HA PHE B 134 18.266 18.259 -0.328 1.00 0.00 H new ATOM 0 HB2 PHE B 134 16.293 16.102 0.481 1.00 0.00 H new ATOM 0 HB3 PHE B 134 16.563 17.436 1.585 1.00 0.00 H new ATOM 0 HD1 PHE B 134 16.128 19.801 0.837 1.00 0.00 H new ATOM 0 HD2 PHE B 134 15.155 16.417 -1.622 1.00 0.00 H new ATOM 0 HE1 PHE B 134 14.665 21.236 -0.559 1.00 0.00 H new ATOM 0 HE2 PHE B 134 13.692 17.853 -3.022 1.00 0.00 H new ATOM 0 HZ PHE B 134 13.446 20.265 -2.486 1.00 0.00 H new ATOM 2115 N GLY B 135 18.669 16.023 2.035 1.00 0.00 N ATOM 2116 CA GLY B 135 19.536 15.683 3.201 1.00 0.00 C ATOM 2117 C GLY B 135 19.179 16.583 4.383 1.00 0.00 C ATOM 2118 O GLY B 135 20.015 16.918 5.197 1.00 0.00 O ATOM 0 H GLY B 135 17.813 15.474 1.958 1.00 0.00 H new ATOM 0 HA2 GLY B 135 19.402 14.636 3.474 1.00 0.00 H new ATOM 0 HA3 GLY B 135 20.586 15.812 2.937 1.00 0.00 H new ATOM 2122 N ASP B 136 17.940 16.978 4.482 1.00 0.00 N ATOM 2123 CA ASP B 136 17.526 17.857 5.610 1.00 0.00 C ATOM 2124 C ASP B 136 18.508 19.023 5.738 1.00 0.00 C ATOM 2125 O ASP B 136 19.027 19.297 6.803 1.00 0.00 O ATOM 2126 CB ASP B 136 17.519 17.051 6.912 1.00 0.00 C ATOM 2127 CG ASP B 136 16.319 16.101 6.917 1.00 0.00 C ATOM 2128 OD1 ASP B 136 15.712 15.938 5.872 1.00 0.00 O ATOM 2129 OD2 ASP B 136 16.028 15.553 7.968 1.00 0.00 O ATOM 0 H ASP B 136 17.196 16.730 3.830 1.00 0.00 H new ATOM 0 HA ASP B 136 16.526 18.244 5.417 1.00 0.00 H new ATOM 0 HB2 ASP B 136 18.445 16.484 7.007 1.00 0.00 H new ATOM 0 HB3 ASP B 136 17.468 17.723 7.768 1.00 0.00 H new ATOM 2134 N VAL B 137 18.767 19.713 4.662 1.00 0.00 N ATOM 2135 CA VAL B 137 19.718 20.861 4.724 1.00 0.00 C ATOM 2136 C VAL B 137 19.517 21.755 3.498 1.00 0.00 C ATOM 2137 O VAL B 137 19.938 21.539 3.466 1.00 0.00 O ATOM 2138 CB VAL B 137 21.152 20.335 4.741 1.00 0.00 C ATOM 2139 CG1 VAL B 137 21.454 19.623 3.420 1.00 0.00 C ATOM 2140 CG2 VAL B 137 22.121 21.505 4.922 1.00 0.00 C ATOM 0 H VAL B 137 18.363 19.533 3.743 1.00 0.00 H new ATOM 0 HA VAL B 137 19.533 21.438 5.630 1.00 0.00 H new ATOM 0 HB VAL B 137 21.270 19.632 5.566 1.00 0.00 H new ATOM 0 HG11 VAL B 137 22.478 19.249 3.434 1.00 0.00 H new ATOM 0 HG12 VAL B 137 20.764 18.789 3.290 1.00 0.00 H new ATOM 0 HG13 VAL B 137 21.336 20.324 2.594 1.00 0.00 H new ATOM 0 HG21 VAL B 137 23.145 21.131 4.934 1.00 0.00 H new ATOM 0 HG22 VAL B 137 22.001 22.208 4.097 1.00 0.00 H new ATOM 0 HG23 VAL B 137 21.908 22.011 5.864 1.00 0.00 H new