USER MOD reduce.3.24.130724 H: found=0, std=0, add=1114, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 1109 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 61 HIS : no HD1:sc= -3.03 K(o=-2.3,f=-6.1!) USER MOD Set 1.2: A 98 SER OG : rot -16:sc= 0.773! USER MOD Set 2.1: A 13 MET CE :methyl -149:sc= 0 (180deg=-0.665) USER MOD Set 2.2: A 32 THR OG1 : rot 180:sc=-0.00361 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot -1:sc= 1.07 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 30:sc= -0.117 USER MOD Single : A 14 LYS NZ :NH3+ -128:sc= 1.16 (180deg=-0.076) USER MOD Single : A 15 SER OG : rot -106:sc= 0.858 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= -0.884 K(o=-0.88,f=-4.1!) USER MOD Single : A 20 ASN : amide:sc= -1.06 X(o=-1.1,f=-1.1) USER MOD Single : A 24 SER OG : rot 62:sc= 0.417 USER MOD Single : A 25 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot 39:sc= -0.658 USER MOD Single : A 33 THR OG1 : rot 180:sc= -1.07 USER MOD Single : A 35 SER OG : rot -34:sc= 0.0575 USER MOD Single : A 36 ASN : amide:sc= -8.36! C(o=-8.4!,f=-11!) USER MOD Single : A 39 LYS NZ :NH3+ -173:sc= 1.11 (180deg=1.05) USER MOD Single : A 41 ASN : amide:sc= -2.21 K(o=-2.2,f=-7.8!) USER MOD Single : A 47 SER OG : rot -109:sc= 1.09 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= -0.382 K(o=-0.38,f=-1.5) USER MOD Single : A 59 SER OG : rot -113:sc= 1.18 USER MOD Single : A 63 GLN :FLIP amide:sc= -1.07 F(o=-1.7,f=-1.1) USER MOD Single : A 66 SER OG : rot -118:sc= -1.49! USER MOD Single : A 68 MET CE :methyl -178:sc= -0.0638 (180deg=-0.0818) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot 180:sc=-0.000688 USER MOD Single : A 78 GLN : amide:sc= -0.244 K(o=-0.24,f=-0.79) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 GLN : amide:sc= -0.084 K(o=-0.084,f=-1.5!) USER MOD Single : A 105 HIS : no HE2:sc= 0.48 K(o=0.48,f=-4!) USER MOD Single : A 106 HIS : no HD1:sc= -4.35 K(o=-4.3,f=-7.5!) USER MOD Single : A 109 ASN : amide:sc= -3.13 X(o=-3.1,f=-3.1!) USER MOD Single : A 112 ASN : amide:sc= -0.63 K(o=-0.63,f=-1.2) USER MOD Single : A 114 ASN : amide:sc= -0.237 K(o=-0.24,f=-3.9!) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 LYS NZ :NH3+ -164:sc= -2.2! (180deg=-3.17!) USER MOD Single : A 118 GLN : amide:sc= -4.18! C(o=-4.2!,f=-6.5!) USER MOD Single : A 120 SER OG : rot 25:sc= 0.0449 USER MOD Single : A 124 GLN : amide:sc= -0.268 X(o=-0.27,f=-0.27) USER MOD Single : A 129 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 133 GLN : amide:sc= -2.31! X(o=-2.3!,f=-2) USER MOD Single : A 136 GLN : amide:sc= -2.24! C(o=-2.2!,f=-2.5!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -27.991 -17.250 11.862 1.00 0.00 N ATOM 2 CA GLY A 1 -26.789 -17.217 12.674 1.00 0.00 C ATOM 3 C GLY A 1 -25.532 -17.055 11.843 1.00 0.00 C ATOM 4 O GLY A 1 -25.186 -17.932 11.051 1.00 0.00 O ATOM 0 H1 GLY A 1 -28.822 -17.362 12.477 1.00 0.00 H new ATOM 0 H2 GLY A 1 -28.073 -16.362 11.327 1.00 0.00 H new ATOM 0 H3 GLY A 1 -27.940 -18.050 11.199 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -26.858 -16.395 13.387 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -26.721 -18.137 13.254 1.00 0.00 H new ATOM 8 N SER A 2 -24.848 -15.929 12.021 1.00 0.00 N ATOM 9 CA SER A 2 -23.625 -15.652 11.276 1.00 0.00 C ATOM 10 C SER A 2 -22.869 -14.479 11.892 1.00 0.00 C ATOM 11 O SER A 2 -23.461 -13.614 12.536 1.00 0.00 O ATOM 12 CB SER A 2 -23.951 -15.352 9.812 1.00 0.00 C ATOM 13 OG SER A 2 -22.781 -15.380 9.013 1.00 0.00 O ATOM 0 H SER A 2 -25.120 -15.194 12.674 1.00 0.00 H new ATOM 0 HA SER A 2 -22.990 -16.537 11.325 1.00 0.00 H new ATOM 0 HB2 SER A 2 -24.668 -16.083 9.439 1.00 0.00 H new ATOM 0 HB3 SER A 2 -24.425 -14.373 9.735 1.00 0.00 H new ATOM 0 HG SER A 2 -23.016 -15.187 8.081 1.00 0.00 H new ATOM 19 N SER A 3 -21.555 -14.458 11.688 1.00 0.00 N ATOM 20 CA SER A 3 -20.716 -13.393 12.225 1.00 0.00 C ATOM 21 C SER A 3 -19.388 -13.318 11.477 1.00 0.00 C ATOM 22 O SER A 3 -18.767 -14.340 11.187 1.00 0.00 O ATOM 23 CB SER A 3 -20.461 -13.620 13.717 1.00 0.00 C ATOM 24 OG SER A 3 -21.636 -13.395 14.475 1.00 0.00 O ATOM 0 H SER A 3 -21.049 -15.166 11.155 1.00 0.00 H new ATOM 0 HA SER A 3 -21.242 -12.448 12.092 1.00 0.00 H new ATOM 0 HB2 SER A 3 -20.110 -14.639 13.878 1.00 0.00 H new ATOM 0 HB3 SER A 3 -19.670 -12.953 14.060 1.00 0.00 H new ATOM 0 HG SER A 3 -22.365 -13.127 13.877 1.00 0.00 H new ATOM 30 N GLY A 4 -18.960 -12.098 11.166 1.00 0.00 N ATOM 31 CA GLY A 4 -17.710 -11.911 10.453 1.00 0.00 C ATOM 32 C GLY A 4 -17.890 -11.145 9.158 1.00 0.00 C ATOM 33 O GLY A 4 -18.614 -11.584 8.265 1.00 0.00 O ATOM 0 H GLY A 4 -19.456 -11.237 11.395 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -17.007 -11.377 11.092 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -17.269 -12.884 10.237 1.00 0.00 H new ATOM 37 N SER A 5 -17.231 -9.995 9.055 1.00 0.00 N ATOM 38 CA SER A 5 -17.326 -9.163 7.861 1.00 0.00 C ATOM 39 C SER A 5 -16.108 -9.359 6.964 1.00 0.00 C ATOM 40 O SER A 5 -14.968 -9.249 7.414 1.00 0.00 O ATOM 41 CB SER A 5 -17.455 -7.689 8.250 1.00 0.00 C ATOM 42 OG SER A 5 -18.677 -7.445 8.926 1.00 0.00 O ATOM 0 H SER A 5 -16.625 -9.618 9.784 1.00 0.00 H new ATOM 0 HA SER A 5 -18.215 -9.465 7.308 1.00 0.00 H new ATOM 0 HB2 SER A 5 -16.619 -7.404 8.889 1.00 0.00 H new ATOM 0 HB3 SER A 5 -17.400 -7.068 7.356 1.00 0.00 H new ATOM 0 HG SER A 5 -18.735 -6.496 9.165 1.00 0.00 H new ATOM 48 N SER A 6 -16.360 -9.650 5.691 1.00 0.00 N ATOM 49 CA SER A 6 -15.285 -9.866 4.730 1.00 0.00 C ATOM 50 C SER A 6 -15.103 -8.644 3.835 1.00 0.00 C ATOM 51 O SER A 6 -16.070 -7.972 3.479 1.00 0.00 O ATOM 52 CB SER A 6 -15.577 -11.100 3.874 1.00 0.00 C ATOM 53 OG SER A 6 -14.405 -11.559 3.223 1.00 0.00 O ATOM 0 H SER A 6 -17.298 -9.741 5.302 1.00 0.00 H new ATOM 0 HA SER A 6 -14.362 -10.029 5.286 1.00 0.00 H new ATOM 0 HB2 SER A 6 -15.983 -11.894 4.501 1.00 0.00 H new ATOM 0 HB3 SER A 6 -16.338 -10.860 3.132 1.00 0.00 H new ATOM 0 HG SER A 6 -14.618 -12.349 2.684 1.00 0.00 H new ATOM 59 N GLY A 7 -13.855 -8.362 3.474 1.00 0.00 N ATOM 60 CA GLY A 7 -13.567 -7.222 2.624 1.00 0.00 C ATOM 61 C GLY A 7 -12.108 -6.816 2.673 1.00 0.00 C ATOM 62 O GLY A 7 -11.458 -6.928 3.713 1.00 0.00 O ATOM 0 H GLY A 7 -13.038 -8.903 3.755 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -13.840 -7.461 1.596 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -14.186 -6.379 2.930 1.00 0.00 H new ATOM 66 N VAL A 8 -11.589 -6.343 1.544 1.00 0.00 N ATOM 67 CA VAL A 8 -10.196 -5.919 1.461 1.00 0.00 C ATOM 68 C VAL A 8 -10.009 -4.528 2.054 1.00 0.00 C ATOM 69 O VAL A 8 -10.868 -3.658 1.907 1.00 0.00 O ATOM 70 CB VAL A 8 -9.696 -5.916 0.004 1.00 0.00 C ATOM 71 CG1 VAL A 8 -10.646 -5.128 -0.885 1.00 0.00 C ATOM 72 CG2 VAL A 8 -8.286 -5.349 -0.073 1.00 0.00 C ATOM 0 H VAL A 8 -12.112 -6.244 0.674 1.00 0.00 H new ATOM 0 HA VAL A 8 -9.612 -6.637 2.036 1.00 0.00 H new ATOM 0 HB VAL A 8 -9.670 -6.945 -0.356 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -10.276 -5.137 -1.910 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -11.636 -5.582 -0.852 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -10.707 -4.099 -0.530 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -7.948 -5.354 -1.109 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -8.284 -4.326 0.304 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -7.615 -5.960 0.531 1.00 0.00 H new ATOM 82 N ARG A 9 -8.880 -4.323 2.726 1.00 0.00 N ATOM 83 CA ARG A 9 -8.580 -3.037 3.342 1.00 0.00 C ATOM 84 C ARG A 9 -7.548 -2.268 2.522 1.00 0.00 C ATOM 85 O ARG A 9 -7.100 -2.735 1.474 1.00 0.00 O ATOM 86 CB ARG A 9 -8.066 -3.239 4.769 1.00 0.00 C ATOM 87 CG ARG A 9 -9.116 -3.781 5.724 1.00 0.00 C ATOM 88 CD ARG A 9 -8.635 -3.734 7.166 1.00 0.00 C ATOM 89 NE ARG A 9 -9.646 -4.230 8.096 1.00 0.00 N ATOM 90 CZ ARG A 9 -9.502 -4.211 9.417 1.00 0.00 C ATOM 91 NH1 ARG A 9 -8.396 -3.721 9.959 1.00 0.00 N ATOM 92 NH2 ARG A 9 -10.467 -4.680 10.198 1.00 0.00 N ATOM 0 H ARG A 9 -8.158 -5.032 2.857 1.00 0.00 H new ATOM 0 HA ARG A 9 -9.500 -2.454 3.373 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -7.219 -3.924 4.747 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -7.696 -2.287 5.151 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -10.033 -3.200 5.626 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -9.359 -4.809 5.454 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -7.728 -4.330 7.265 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -8.373 -2.709 7.428 1.00 0.00 H new ATOM 0 HE ARG A 9 -10.510 -4.612 7.711 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -7.653 -3.357 9.362 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -8.288 -3.707 10.973 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -11.320 -5.056 9.785 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -10.355 -4.665 11.212 1.00 0.00 H new ATOM 106 N TYR A 10 -7.175 -1.089 3.006 1.00 0.00 N ATOM 107 CA TYR A 10 -6.198 -0.254 2.316 1.00 0.00 C ATOM 108 C TYR A 10 -5.195 0.337 3.302 1.00 0.00 C ATOM 109 O TYR A 10 -5.573 0.876 4.343 1.00 0.00 O ATOM 110 CB TYR A 10 -6.904 0.869 1.554 1.00 0.00 C ATOM 111 CG TYR A 10 -7.863 0.372 0.496 1.00 0.00 C ATOM 112 CD1 TYR A 10 -8.965 -0.402 0.837 1.00 0.00 C ATOM 113 CD2 TYR A 10 -7.668 0.679 -0.846 1.00 0.00 C ATOM 114 CE1 TYR A 10 -9.843 -0.858 -0.127 1.00 0.00 C ATOM 115 CE2 TYR A 10 -8.542 0.228 -1.816 1.00 0.00 C ATOM 116 CZ TYR A 10 -9.628 -0.541 -1.452 1.00 0.00 C ATOM 117 OH TYR A 10 -10.501 -0.992 -2.414 1.00 0.00 O ATOM 0 H TYR A 10 -7.534 -0.689 3.873 1.00 0.00 H new ATOM 0 HA TYR A 10 -5.657 -0.881 1.607 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -7.449 1.491 2.264 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -6.154 1.505 1.083 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -9.138 -0.651 1.873 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -6.819 1.280 -1.135 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -10.694 -1.460 0.156 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -8.376 0.476 -2.854 1.00 0.00 H new ATOM 0 HH TYR A 10 -11.397 -1.080 -2.027 1.00 0.00 H new ATOM 127 N PHE A 11 -3.914 0.234 2.965 1.00 0.00 N ATOM 128 CA PHE A 11 -2.854 0.758 3.819 1.00 0.00 C ATOM 129 C PHE A 11 -1.810 1.504 2.994 1.00 0.00 C ATOM 130 O PHE A 11 -1.407 1.048 1.924 1.00 0.00 O ATOM 131 CB PHE A 11 -2.188 -0.379 4.597 1.00 0.00 C ATOM 132 CG PHE A 11 -3.165 -1.268 5.313 1.00 0.00 C ATOM 133 CD1 PHE A 11 -3.608 -0.949 6.586 1.00 0.00 C ATOM 134 CD2 PHE A 11 -3.639 -2.423 4.712 1.00 0.00 C ATOM 135 CE1 PHE A 11 -4.507 -1.765 7.247 1.00 0.00 C ATOM 136 CE2 PHE A 11 -4.538 -3.242 5.368 1.00 0.00 C ATOM 137 CZ PHE A 11 -4.972 -2.914 6.637 1.00 0.00 C ATOM 0 H PHE A 11 -3.584 -0.208 2.107 1.00 0.00 H new ATOM 0 HA PHE A 11 -3.302 1.458 4.524 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -1.597 -0.983 3.908 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -1.495 0.046 5.324 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -3.247 -0.052 7.068 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -3.302 -2.686 3.720 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -4.845 -1.505 8.239 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -4.901 -4.139 4.888 1.00 0.00 H new ATOM 0 HZ PHE A 11 -5.673 -3.554 7.152 1.00 0.00 H new ATOM 147 N ILE A 12 -1.377 2.655 3.500 1.00 0.00 N ATOM 148 CA ILE A 12 -0.380 3.464 2.810 1.00 0.00 C ATOM 149 C ILE A 12 1.031 3.094 3.255 1.00 0.00 C ATOM 150 O ILE A 12 1.374 3.215 4.430 1.00 0.00 O ATOM 151 CB ILE A 12 -0.607 4.967 3.058 1.00 0.00 C ATOM 152 CG1 ILE A 12 -1.926 5.417 2.427 1.00 0.00 C ATOM 153 CG2 ILE A 12 0.556 5.777 2.503 1.00 0.00 C ATOM 154 CD1 ILE A 12 -1.899 5.429 0.914 1.00 0.00 C ATOM 0 H ILE A 12 -1.701 3.047 4.384 1.00 0.00 H new ATOM 0 HA ILE A 12 -0.488 3.259 1.745 1.00 0.00 H new ATOM 0 HB ILE A 12 -0.663 5.138 4.133 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -2.724 4.755 2.763 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -2.169 6.417 2.786 1.00 0.00 H new ATOM 0 HG21 ILE A 12 0.381 6.837 2.686 1.00 0.00 H new ATOM 0 HG22 ILE A 12 1.480 5.472 2.995 1.00 0.00 H new ATOM 0 HG23 ILE A 12 0.641 5.603 1.430 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -2.867 5.758 0.535 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -1.123 6.113 0.569 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -1.688 4.425 0.546 1.00 0.00 H new ATOM 166 N MET A 13 1.845 2.645 2.306 1.00 0.00 N ATOM 167 CA MET A 13 3.221 2.260 2.599 1.00 0.00 C ATOM 168 C MET A 13 4.206 3.146 1.843 1.00 0.00 C ATOM 169 O MET A 13 4.345 3.038 0.624 1.00 0.00 O ATOM 170 CB MET A 13 3.452 0.792 2.233 1.00 0.00 C ATOM 171 CG MET A 13 2.272 -0.108 2.561 1.00 0.00 C ATOM 172 SD MET A 13 1.499 0.305 4.137 1.00 0.00 S ATOM 173 CE MET A 13 2.665 -0.421 5.286 1.00 0.00 C ATOM 0 H MET A 13 1.576 2.539 1.328 1.00 0.00 H new ATOM 0 HA MET A 13 3.389 2.391 3.668 1.00 0.00 H new ATOM 0 HB2 MET A 13 3.667 0.721 1.167 1.00 0.00 H new ATOM 0 HB3 MET A 13 4.334 0.429 2.761 1.00 0.00 H new ATOM 0 HG2 MET A 13 1.530 -0.032 1.766 1.00 0.00 H new ATOM 0 HG3 MET A 13 2.607 -1.145 2.586 1.00 0.00 H new ATOM 0 HE1 MET A 13 2.137 -0.749 6.181 1.00 0.00 H new ATOM 0 HE2 MET A 13 3.153 -1.276 4.818 1.00 0.00 H new ATOM 0 HE3 MET A 13 3.416 0.320 5.559 1.00 0.00 H new ATOM 183 N LYS A 14 4.888 4.021 2.573 1.00 0.00 N ATOM 184 CA LYS A 14 5.862 4.926 1.972 1.00 0.00 C ATOM 185 C LYS A 14 7.250 4.294 1.951 1.00 0.00 C ATOM 186 O LYS A 14 7.628 3.571 2.872 1.00 0.00 O ATOM 187 CB LYS A 14 5.903 6.248 2.742 1.00 0.00 C ATOM 188 CG LYS A 14 4.547 6.691 3.262 1.00 0.00 C ATOM 189 CD LYS A 14 3.748 7.414 2.190 1.00 0.00 C ATOM 190 CE LYS A 14 4.186 8.864 2.051 1.00 0.00 C ATOM 191 NZ LYS A 14 3.495 9.749 3.028 1.00 0.00 N ATOM 0 H LYS A 14 4.785 4.123 3.583 1.00 0.00 H new ATOM 0 HA LYS A 14 5.555 5.121 0.944 1.00 0.00 H new ATOM 0 HB2 LYS A 14 6.590 6.148 3.582 1.00 0.00 H new ATOM 0 HB3 LYS A 14 6.305 7.025 2.092 1.00 0.00 H new ATOM 0 HG2 LYS A 14 3.988 5.822 3.610 1.00 0.00 H new ATOM 0 HG3 LYS A 14 4.683 7.348 4.121 1.00 0.00 H new ATOM 0 HD2 LYS A 14 3.872 6.902 1.235 1.00 0.00 H new ATOM 0 HD3 LYS A 14 2.687 7.375 2.437 1.00 0.00 H new ATOM 0 HE2 LYS A 14 5.264 8.933 2.198 1.00 0.00 H new ATOM 0 HE3 LYS A 14 3.979 9.210 1.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 3.067 10.553 2.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 2.751 9.212 3.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 4.183 10.101 3.724 1.00 0.00 H new ATOM 205 N SER A 15 8.006 4.573 0.893 1.00 0.00 N ATOM 206 CA SER A 15 9.352 4.031 0.751 1.00 0.00 C ATOM 207 C SER A 15 10.384 5.151 0.670 1.00 0.00 C ATOM 208 O SER A 15 10.265 6.062 -0.150 1.00 0.00 O ATOM 209 CB SER A 15 9.440 3.149 -0.496 1.00 0.00 C ATOM 210 OG SER A 15 10.763 2.683 -0.699 1.00 0.00 O ATOM 0 H SER A 15 7.709 5.171 0.122 1.00 0.00 H new ATOM 0 HA SER A 15 9.568 3.426 1.632 1.00 0.00 H new ATOM 0 HB2 SER A 15 8.764 2.300 -0.393 1.00 0.00 H new ATOM 0 HB3 SER A 15 9.112 3.714 -1.369 1.00 0.00 H new ATOM 0 HG SER A 15 11.168 3.166 -1.449 1.00 0.00 H new ATOM 216 N SER A 16 11.397 5.078 1.527 1.00 0.00 N ATOM 217 CA SER A 16 12.449 6.087 1.557 1.00 0.00 C ATOM 218 C SER A 16 12.844 6.501 0.142 1.00 0.00 C ATOM 219 O SER A 16 12.807 7.681 -0.204 1.00 0.00 O ATOM 220 CB SER A 16 13.673 5.557 2.306 1.00 0.00 C ATOM 221 OG SER A 16 13.460 5.575 3.707 1.00 0.00 O ATOM 0 H SER A 16 11.512 4.330 2.211 1.00 0.00 H new ATOM 0 HA SER A 16 12.064 6.963 2.080 1.00 0.00 H new ATOM 0 HB2 SER A 16 13.890 4.539 1.981 1.00 0.00 H new ATOM 0 HB3 SER A 16 14.545 6.163 2.060 1.00 0.00 H new ATOM 0 HG SER A 16 14.256 5.230 4.163 1.00 0.00 H new ATOM 227 N ASN A 17 13.222 5.520 -0.670 1.00 0.00 N ATOM 228 CA ASN A 17 13.626 5.781 -2.048 1.00 0.00 C ATOM 229 C ASN A 17 12.908 4.841 -3.012 1.00 0.00 C ATOM 230 O ASN A 17 12.131 3.981 -2.595 1.00 0.00 O ATOM 231 CB ASN A 17 15.140 5.623 -2.196 1.00 0.00 C ATOM 232 CG ASN A 17 15.684 6.370 -3.398 1.00 0.00 C ATOM 233 OD1 ASN A 17 15.022 7.251 -3.947 1.00 0.00 O ATOM 234 ND2 ASN A 17 16.897 6.021 -3.813 1.00 0.00 N ATOM 0 H ASN A 17 13.257 4.537 -0.399 1.00 0.00 H new ATOM 0 HA ASN A 17 13.349 6.806 -2.294 1.00 0.00 H new ATOM 0 HB2 ASN A 17 15.631 5.987 -1.293 1.00 0.00 H new ATOM 0 HB3 ASN A 17 15.385 4.565 -2.288 1.00 0.00 H new ATOM 0 HD21 ASN A 17 17.315 6.489 -4.617 1.00 0.00 H new ATOM 0 HD22 ASN A 17 17.410 5.285 -3.328 1.00 0.00 H new ATOM 241 N LEU A 18 13.173 5.012 -4.302 1.00 0.00 N ATOM 242 CA LEU A 18 12.553 4.179 -5.327 1.00 0.00 C ATOM 243 C LEU A 18 13.197 2.797 -5.369 1.00 0.00 C ATOM 244 O LEU A 18 12.506 1.780 -5.426 1.00 0.00 O ATOM 245 CB LEU A 18 12.669 4.850 -6.697 1.00 0.00 C ATOM 246 CG LEU A 18 11.716 4.339 -7.778 1.00 0.00 C ATOM 247 CD1 LEU A 18 11.312 2.900 -7.497 1.00 0.00 C ATOM 248 CD2 LEU A 18 10.487 5.232 -7.870 1.00 0.00 C ATOM 0 H LEU A 18 13.813 5.719 -4.663 1.00 0.00 H new ATOM 0 HA LEU A 18 11.499 4.061 -5.075 1.00 0.00 H new ATOM 0 HB2 LEU A 18 12.503 5.920 -6.570 1.00 0.00 H new ATOM 0 HB3 LEU A 18 13.691 4.726 -7.054 1.00 0.00 H new ATOM 0 HG LEU A 18 12.235 4.368 -8.736 1.00 0.00 H new ATOM 0 HD11 LEU A 18 10.634 2.554 -8.277 1.00 0.00 H new ATOM 0 HD12 LEU A 18 12.201 2.269 -7.482 1.00 0.00 H new ATOM 0 HD13 LEU A 18 10.812 2.845 -6.530 1.00 0.00 H new ATOM 0 HD21 LEU A 18 9.820 4.854 -8.644 1.00 0.00 H new ATOM 0 HD22 LEU A 18 9.967 5.235 -6.912 1.00 0.00 H new ATOM 0 HD23 LEU A 18 10.793 6.248 -8.120 1.00 0.00 H new ATOM 260 N ARG A 19 14.526 2.768 -5.338 1.00 0.00 N ATOM 261 CA ARG A 19 15.264 1.511 -5.371 1.00 0.00 C ATOM 262 C ARG A 19 14.617 0.477 -4.455 1.00 0.00 C ATOM 263 O ARG A 19 14.267 -0.620 -4.889 1.00 0.00 O ATOM 264 CB ARG A 19 16.718 1.738 -4.956 1.00 0.00 C ATOM 265 CG ARG A 19 17.477 0.452 -4.668 1.00 0.00 C ATOM 266 CD ARG A 19 17.379 -0.525 -5.829 1.00 0.00 C ATOM 267 NE ARG A 19 18.541 -1.405 -5.903 1.00 0.00 N ATOM 268 CZ ARG A 19 19.768 -0.981 -6.183 1.00 0.00 C ATOM 269 NH1 ARG A 19 19.991 0.306 -6.414 1.00 0.00 N ATOM 270 NH2 ARG A 19 20.775 -1.843 -6.232 1.00 0.00 N ATOM 0 H ARG A 19 15.113 3.601 -5.290 1.00 0.00 H new ATOM 0 HA ARG A 19 15.240 1.131 -6.392 1.00 0.00 H new ATOM 0 HB2 ARG A 19 17.232 2.284 -5.747 1.00 0.00 H new ATOM 0 HB3 ARG A 19 16.739 2.369 -4.068 1.00 0.00 H new ATOM 0 HG2 ARG A 19 18.524 0.682 -4.472 1.00 0.00 H new ATOM 0 HG3 ARG A 19 17.079 -0.012 -3.766 1.00 0.00 H new ATOM 0 HD2 ARG A 19 16.476 -1.126 -5.722 1.00 0.00 H new ATOM 0 HD3 ARG A 19 17.284 0.030 -6.763 1.00 0.00 H new ATOM 0 HE ARG A 19 18.403 -2.401 -5.730 1.00 0.00 H new ATOM 0 HH11 ARG A 19 19.219 0.972 -6.377 1.00 0.00 H new ATOM 0 HH12 ARG A 19 20.934 0.630 -6.629 1.00 0.00 H new ATOM 0 HH21 ARG A 19 20.608 -2.833 -6.054 1.00 0.00 H new ATOM 0 HH22 ARG A 19 21.717 -1.515 -6.447 1.00 0.00 H new ATOM 284 N ASN A 20 14.462 0.834 -3.184 1.00 0.00 N ATOM 285 CA ASN A 20 13.858 -0.063 -2.205 1.00 0.00 C ATOM 286 C ASN A 20 12.591 -0.703 -2.763 1.00 0.00 C ATOM 287 O ASN A 20 12.248 -1.834 -2.416 1.00 0.00 O ATOM 288 CB ASN A 20 13.535 0.696 -0.917 1.00 0.00 C ATOM 289 CG ASN A 20 14.676 1.590 -0.471 1.00 0.00 C ATOM 290 OD1 ASN A 20 15.840 1.330 -0.778 1.00 0.00 O ATOM 291 ND2 ASN A 20 14.347 2.650 0.257 1.00 0.00 N ATOM 0 H ASN A 20 14.746 1.738 -2.808 1.00 0.00 H new ATOM 0 HA ASN A 20 14.575 -0.853 -1.982 1.00 0.00 H new ATOM 0 HB2 ASN A 20 12.641 1.301 -1.069 1.00 0.00 H new ATOM 0 HB3 ASN A 20 13.306 -0.018 -0.126 1.00 0.00 H new ATOM 0 HD21 ASN A 20 15.072 3.288 0.586 1.00 0.00 H new ATOM 0 HD22 ASN A 20 13.369 2.827 0.488 1.00 0.00 H new ATOM 298 N LEU A 21 11.899 0.027 -3.631 1.00 0.00 N ATOM 299 CA LEU A 21 10.669 -0.469 -4.239 1.00 0.00 C ATOM 300 C LEU A 21 10.976 -1.449 -5.367 1.00 0.00 C ATOM 301 O LEU A 21 10.266 -2.437 -5.554 1.00 0.00 O ATOM 302 CB LEU A 21 9.835 0.696 -4.773 1.00 0.00 C ATOM 303 CG LEU A 21 8.363 0.393 -5.058 1.00 0.00 C ATOM 304 CD1 LEU A 21 7.565 0.363 -3.764 1.00 0.00 C ATOM 305 CD2 LEU A 21 7.784 1.420 -6.020 1.00 0.00 C ATOM 0 H LEU A 21 12.169 0.964 -3.930 1.00 0.00 H new ATOM 0 HA LEU A 21 10.099 -0.994 -3.472 1.00 0.00 H new ATOM 0 HB2 LEU A 21 9.884 1.512 -4.052 1.00 0.00 H new ATOM 0 HB3 LEU A 21 10.296 1.055 -5.693 1.00 0.00 H new ATOM 0 HG LEU A 21 8.297 -0.590 -5.525 1.00 0.00 H new ATOM 0 HD11 LEU A 21 6.520 0.146 -3.986 1.00 0.00 H new ATOM 0 HD12 LEU A 21 7.965 -0.410 -3.108 1.00 0.00 H new ATOM 0 HD13 LEU A 21 7.637 1.332 -3.269 1.00 0.00 H new ATOM 0 HD21 LEU A 21 6.736 1.189 -6.212 1.00 0.00 H new ATOM 0 HD22 LEU A 21 7.862 2.415 -5.581 1.00 0.00 H new ATOM 0 HD23 LEU A 21 8.339 1.393 -6.958 1.00 0.00 H new ATOM 317 N GLU A 22 12.039 -1.169 -6.114 1.00 0.00 N ATOM 318 CA GLU A 22 12.440 -2.028 -7.223 1.00 0.00 C ATOM 319 C GLU A 22 12.498 -3.489 -6.786 1.00 0.00 C ATOM 320 O GLU A 22 12.232 -4.395 -7.576 1.00 0.00 O ATOM 321 CB GLU A 22 13.801 -1.592 -7.768 1.00 0.00 C ATOM 322 CG GLU A 22 13.748 -0.314 -8.589 1.00 0.00 C ATOM 323 CD GLU A 22 13.336 -0.562 -10.027 1.00 0.00 C ATOM 324 OE1 GLU A 22 13.795 -1.567 -10.610 1.00 0.00 O ATOM 325 OE2 GLU A 22 12.556 0.248 -10.569 1.00 0.00 O ATOM 0 H GLU A 22 12.638 -0.355 -5.972 1.00 0.00 H new ATOM 0 HA GLU A 22 11.694 -1.933 -8.012 1.00 0.00 H new ATOM 0 HB2 GLU A 22 14.488 -1.450 -6.934 1.00 0.00 H new ATOM 0 HB3 GLU A 22 14.209 -2.393 -8.384 1.00 0.00 H new ATOM 0 HG2 GLU A 22 13.046 0.381 -8.128 1.00 0.00 H new ATOM 0 HG3 GLU A 22 14.727 0.165 -8.573 1.00 0.00 H new ATOM 332 N ILE A 23 12.849 -3.709 -5.524 1.00 0.00 N ATOM 333 CA ILE A 23 12.942 -5.059 -4.982 1.00 0.00 C ATOM 334 C ILE A 23 11.584 -5.751 -4.994 1.00 0.00 C ATOM 335 O ILE A 23 11.490 -6.954 -5.238 1.00 0.00 O ATOM 336 CB ILE A 23 13.489 -5.051 -3.542 1.00 0.00 C ATOM 337 CG1 ILE A 23 14.919 -4.508 -3.520 1.00 0.00 C ATOM 338 CG2 ILE A 23 13.439 -6.451 -2.949 1.00 0.00 C ATOM 339 CD1 ILE A 23 15.001 -3.012 -3.731 1.00 0.00 C ATOM 0 H ILE A 23 13.074 -2.970 -4.858 1.00 0.00 H new ATOM 0 HA ILE A 23 13.633 -5.609 -5.621 1.00 0.00 H new ATOM 0 HB ILE A 23 12.863 -4.398 -2.934 1.00 0.00 H new ATOM 0 HG12 ILE A 23 15.379 -4.758 -2.564 1.00 0.00 H new ATOM 0 HG13 ILE A 23 15.501 -5.008 -4.294 1.00 0.00 H new ATOM 0 HG21 ILE A 23 13.829 -6.429 -1.931 1.00 0.00 H new ATOM 0 HG22 ILE A 23 12.408 -6.804 -2.935 1.00 0.00 H new ATOM 0 HG23 ILE A 23 14.045 -7.125 -3.555 1.00 0.00 H new ATOM 0 HD11 ILE A 23 16.044 -2.697 -3.703 1.00 0.00 H new ATOM 0 HD12 ILE A 23 14.571 -2.757 -4.700 1.00 0.00 H new ATOM 0 HD13 ILE A 23 14.447 -2.502 -2.943 1.00 0.00 H new ATOM 351 N SER A 24 10.532 -4.983 -4.730 1.00 0.00 N ATOM 352 CA SER A 24 9.177 -5.522 -4.708 1.00 0.00 C ATOM 353 C SER A 24 8.677 -5.791 -6.124 1.00 0.00 C ATOM 354 O SER A 24 7.767 -6.594 -6.329 1.00 0.00 O ATOM 355 CB SER A 24 8.231 -4.553 -3.996 1.00 0.00 C ATOM 356 OG SER A 24 7.034 -5.203 -3.607 1.00 0.00 O ATOM 0 H SER A 24 10.592 -3.985 -4.528 1.00 0.00 H new ATOM 0 HA SER A 24 9.196 -6.465 -4.163 1.00 0.00 H new ATOM 0 HB2 SER A 24 8.725 -4.137 -3.118 1.00 0.00 H new ATOM 0 HB3 SER A 24 7.997 -3.717 -4.656 1.00 0.00 H new ATOM 0 HG SER A 24 7.242 -5.918 -2.970 1.00 0.00 H new ATOM 362 N GLN A 25 9.279 -5.115 -7.096 1.00 0.00 N ATOM 363 CA GLN A 25 8.895 -5.280 -8.493 1.00 0.00 C ATOM 364 C GLN A 25 9.605 -6.478 -9.115 1.00 0.00 C ATOM 365 O GLN A 25 9.068 -7.136 -10.005 1.00 0.00 O ATOM 366 CB GLN A 25 9.217 -4.013 -9.286 1.00 0.00 C ATOM 367 CG GLN A 25 8.272 -2.858 -8.998 1.00 0.00 C ATOM 368 CD GLN A 25 8.530 -1.656 -9.886 1.00 0.00 C ATOM 369 OE1 GLN A 25 9.299 -1.733 -10.845 1.00 0.00 O ATOM 370 NE2 GLN A 25 7.888 -0.538 -9.571 1.00 0.00 N ATOM 0 H GLN A 25 10.035 -4.448 -6.942 1.00 0.00 H new ATOM 0 HA GLN A 25 7.820 -5.459 -8.529 1.00 0.00 H new ATOM 0 HB2 GLN A 25 10.237 -3.702 -9.060 1.00 0.00 H new ATOM 0 HB3 GLN A 25 9.183 -4.243 -10.351 1.00 0.00 H new ATOM 0 HG2 GLN A 25 7.244 -3.192 -9.136 1.00 0.00 H new ATOM 0 HG3 GLN A 25 8.374 -2.562 -7.954 1.00 0.00 H new ATOM 0 HE21 GLN A 25 7.260 -0.520 -8.767 1.00 0.00 H new ATOM 0 HE22 GLN A 25 8.023 0.303 -10.133 1.00 0.00 H new ATOM 379 N GLN A 26 10.816 -6.754 -8.640 1.00 0.00 N ATOM 380 CA GLN A 26 11.600 -7.872 -9.151 1.00 0.00 C ATOM 381 C GLN A 26 11.422 -9.107 -8.274 1.00 0.00 C ATOM 382 O GLN A 26 10.990 -10.160 -8.746 1.00 0.00 O ATOM 383 CB GLN A 26 13.080 -7.493 -9.225 1.00 0.00 C ATOM 384 CG GLN A 26 13.339 -6.193 -9.969 1.00 0.00 C ATOM 385 CD GLN A 26 13.459 -6.392 -11.467 1.00 0.00 C ATOM 386 OE1 GLN A 26 14.479 -6.872 -11.961 1.00 0.00 O ATOM 387 NE2 GLN A 26 12.414 -6.023 -12.199 1.00 0.00 N ATOM 0 H GLN A 26 11.275 -6.219 -7.903 1.00 0.00 H new ATOM 0 HA GLN A 26 11.242 -8.106 -10.154 1.00 0.00 H new ATOM 0 HB2 GLN A 26 13.476 -7.408 -8.213 1.00 0.00 H new ATOM 0 HB3 GLN A 26 13.628 -8.298 -9.715 1.00 0.00 H new ATOM 0 HG2 GLN A 26 12.529 -5.493 -9.763 1.00 0.00 H new ATOM 0 HG3 GLN A 26 14.256 -5.739 -9.592 1.00 0.00 H new ATOM 0 HE21 GLN A 26 11.588 -5.629 -11.747 1.00 0.00 H new ATOM 0 HE22 GLN A 26 12.437 -6.133 -13.213 1.00 0.00 H new ATOM 396 N LYS A 27 11.757 -8.972 -6.996 1.00 0.00 N ATOM 397 CA LYS A 27 11.634 -10.076 -6.051 1.00 0.00 C ATOM 398 C LYS A 27 10.170 -10.442 -5.829 1.00 0.00 C ATOM 399 O LYS A 27 9.830 -11.613 -5.672 1.00 0.00 O ATOM 400 CB LYS A 27 12.287 -9.709 -4.717 1.00 0.00 C ATOM 401 CG LYS A 27 13.616 -8.988 -4.868 1.00 0.00 C ATOM 402 CD LYS A 27 14.519 -9.688 -5.870 1.00 0.00 C ATOM 403 CE LYS A 27 15.950 -9.181 -5.778 1.00 0.00 C ATOM 404 NZ LYS A 27 16.705 -9.845 -4.680 1.00 0.00 N ATOM 0 H LYS A 27 12.116 -8.108 -6.590 1.00 0.00 H new ATOM 0 HA LYS A 27 12.146 -10.941 -6.473 1.00 0.00 H new ATOM 0 HB2 LYS A 27 11.603 -9.078 -4.149 1.00 0.00 H new ATOM 0 HB3 LYS A 27 12.440 -10.618 -4.135 1.00 0.00 H new ATOM 0 HG2 LYS A 27 13.440 -7.962 -5.190 1.00 0.00 H new ATOM 0 HG3 LYS A 27 14.115 -8.937 -3.900 1.00 0.00 H new ATOM 0 HD2 LYS A 27 14.500 -10.763 -5.690 1.00 0.00 H new ATOM 0 HD3 LYS A 27 14.139 -9.527 -6.879 1.00 0.00 H new ATOM 0 HE2 LYS A 27 16.459 -9.356 -6.726 1.00 0.00 H new ATOM 0 HE3 LYS A 27 15.943 -8.103 -5.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 17.675 -9.472 -4.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 16.234 -9.657 -3.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 16.734 -10.871 -4.849 1.00 0.00 H new ATOM 418 N GLY A 28 9.307 -9.430 -5.820 1.00 0.00 N ATOM 419 CA GLY A 28 7.890 -9.666 -5.618 1.00 0.00 C ATOM 420 C GLY A 28 7.512 -9.709 -4.150 1.00 0.00 C ATOM 421 O GLY A 28 6.526 -10.343 -3.774 1.00 0.00 O ATOM 0 H GLY A 28 9.564 -8.451 -5.949 1.00 0.00 H new ATOM 0 HA2 GLY A 28 7.320 -8.880 -6.114 1.00 0.00 H new ATOM 0 HA3 GLY A 28 7.611 -10.608 -6.089 1.00 0.00 H new ATOM 425 N ILE A 29 8.300 -9.035 -3.319 1.00 0.00 N ATOM 426 CA ILE A 29 8.043 -8.999 -1.884 1.00 0.00 C ATOM 427 C ILE A 29 8.279 -7.603 -1.318 1.00 0.00 C ATOM 428 O ILE A 29 8.793 -6.722 -2.007 1.00 0.00 O ATOM 429 CB ILE A 29 8.931 -10.005 -1.128 1.00 0.00 C ATOM 430 CG1 ILE A 29 10.349 -9.998 -1.702 1.00 0.00 C ATOM 431 CG2 ILE A 29 8.330 -11.401 -1.201 1.00 0.00 C ATOM 432 CD1 ILE A 29 11.182 -8.822 -1.243 1.00 0.00 C ATOM 0 H ILE A 29 9.121 -8.507 -3.614 1.00 0.00 H new ATOM 0 HA ILE A 29 6.997 -9.273 -1.743 1.00 0.00 H new ATOM 0 HB ILE A 29 8.982 -9.707 -0.081 1.00 0.00 H new ATOM 0 HG12 ILE A 29 10.852 -10.922 -1.417 1.00 0.00 H new ATOM 0 HG13 ILE A 29 10.291 -9.989 -2.790 1.00 0.00 H new ATOM 0 HG21 ILE A 29 8.969 -12.101 -0.662 1.00 0.00 H new ATOM 0 HG22 ILE A 29 7.338 -11.394 -0.750 1.00 0.00 H new ATOM 0 HG23 ILE A 29 8.252 -11.710 -2.244 1.00 0.00 H new ATOM 0 HD11 ILE A 29 12.175 -8.883 -1.689 1.00 0.00 H new ATOM 0 HD12 ILE A 29 10.702 -7.893 -1.551 1.00 0.00 H new ATOM 0 HD13 ILE A 29 11.271 -8.841 -0.157 1.00 0.00 H new ATOM 444 N TRP A 30 7.902 -7.410 -0.059 1.00 0.00 N ATOM 445 CA TRP A 30 8.075 -6.121 0.601 1.00 0.00 C ATOM 446 C TRP A 30 8.301 -6.302 2.098 1.00 0.00 C ATOM 447 O TRP A 30 7.665 -7.143 2.733 1.00 0.00 O ATOM 448 CB TRP A 30 6.853 -5.233 0.360 1.00 0.00 C ATOM 449 CG TRP A 30 7.002 -3.852 0.922 1.00 0.00 C ATOM 450 CD1 TRP A 30 6.322 -3.320 1.980 1.00 0.00 C ATOM 451 CD2 TRP A 30 7.885 -2.827 0.454 1.00 0.00 C ATOM 452 NE1 TRP A 30 6.729 -2.026 2.198 1.00 0.00 N ATOM 453 CE2 TRP A 30 7.688 -1.700 1.276 1.00 0.00 C ATOM 454 CE3 TRP A 30 8.825 -2.752 -0.577 1.00 0.00 C ATOM 455 CZ2 TRP A 30 8.395 -0.515 1.096 1.00 0.00 C ATOM 456 CZ3 TRP A 30 9.526 -1.574 -0.755 1.00 0.00 C ATOM 457 CH2 TRP A 30 9.309 -0.469 0.078 1.00 0.00 C ATOM 0 H TRP A 30 7.475 -8.129 0.525 1.00 0.00 H new ATOM 0 HA TRP A 30 8.955 -5.638 0.176 1.00 0.00 H new ATOM 0 HB2 TRP A 30 6.669 -5.163 -0.712 1.00 0.00 H new ATOM 0 HB3 TRP A 30 5.976 -5.705 0.804 1.00 0.00 H new ATOM 0 HD1 TRP A 30 5.574 -3.840 2.560 1.00 0.00 H new ATOM 0 HE1 TRP A 30 6.374 -1.408 2.928 1.00 0.00 H new ATOM 0 HE3 TRP A 30 9.001 -3.599 -1.223 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 8.228 0.338 1.737 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 10.254 -1.504 -1.550 1.00 0.00 H new ATOM 0 HH2 TRP A 30 9.874 0.437 -0.086 1.00 0.00 H new ATOM 468 N SER A 31 9.209 -5.507 2.655 1.00 0.00 N ATOM 469 CA SER A 31 9.520 -5.583 4.078 1.00 0.00 C ATOM 470 C SER A 31 9.246 -4.249 4.766 1.00 0.00 C ATOM 471 O SER A 31 9.958 -3.268 4.551 1.00 0.00 O ATOM 472 CB SER A 31 10.983 -5.983 4.281 1.00 0.00 C ATOM 473 OG SER A 31 11.210 -6.428 5.607 1.00 0.00 O ATOM 0 H SER A 31 9.742 -4.804 2.143 1.00 0.00 H new ATOM 0 HA SER A 31 8.878 -6.342 4.525 1.00 0.00 H new ATOM 0 HB2 SER A 31 11.248 -6.773 3.578 1.00 0.00 H new ATOM 0 HB3 SER A 31 11.629 -5.133 4.064 1.00 0.00 H new ATOM 0 HG SER A 31 10.445 -6.961 5.909 1.00 0.00 H new ATOM 479 N THR A 32 8.206 -4.221 5.595 1.00 0.00 N ATOM 480 CA THR A 32 7.835 -3.008 6.314 1.00 0.00 C ATOM 481 C THR A 32 8.122 -3.144 7.805 1.00 0.00 C ATOM 482 O THR A 32 8.450 -4.228 8.289 1.00 0.00 O ATOM 483 CB THR A 32 6.345 -2.672 6.117 1.00 0.00 C ATOM 484 OG1 THR A 32 6.106 -1.298 6.439 1.00 0.00 O ATOM 485 CG2 THR A 32 5.470 -3.562 6.987 1.00 0.00 C ATOM 0 H THR A 32 7.606 -5.024 5.785 1.00 0.00 H new ATOM 0 HA THR A 32 8.439 -2.199 5.903 1.00 0.00 H new ATOM 0 HB THR A 32 6.090 -2.849 5.072 1.00 0.00 H new ATOM 0 HG1 THR A 32 5.157 -1.092 6.309 1.00 0.00 H new ATOM 0 HG21 THR A 32 4.422 -3.306 6.831 1.00 0.00 H new ATOM 0 HG22 THR A 32 5.633 -4.606 6.719 1.00 0.00 H new ATOM 0 HG23 THR A 32 5.728 -3.412 8.035 1.00 0.00 H new ATOM 493 N THR A 33 7.994 -2.038 8.530 1.00 0.00 N ATOM 494 CA THR A 33 8.240 -2.033 9.967 1.00 0.00 C ATOM 495 C THR A 33 7.332 -3.027 10.683 1.00 0.00 C ATOM 496 O THR A 33 6.158 -3.184 10.348 1.00 0.00 O ATOM 497 CB THR A 33 8.024 -0.632 10.569 1.00 0.00 C ATOM 498 OG1 THR A 33 8.625 -0.559 11.867 1.00 0.00 O ATOM 499 CG2 THR A 33 6.541 -0.310 10.672 1.00 0.00 C ATOM 0 H THR A 33 7.721 -1.133 8.146 1.00 0.00 H new ATOM 0 HA THR A 33 9.280 -2.326 10.111 1.00 0.00 H new ATOM 0 HB THR A 33 8.493 0.099 9.910 1.00 0.00 H new ATOM 0 HG1 THR A 33 8.485 0.335 12.243 1.00 0.00 H new ATOM 0 HG21 THR A 33 6.413 0.684 11.100 1.00 0.00 H new ATOM 0 HG22 THR A 33 6.093 -0.338 9.679 1.00 0.00 H new ATOM 0 HG23 THR A 33 6.053 -1.045 11.311 1.00 0.00 H new ATOM 507 N PRO A 34 7.886 -3.714 11.693 1.00 0.00 N ATOM 508 CA PRO A 34 7.142 -4.704 12.478 1.00 0.00 C ATOM 509 C PRO A 34 6.082 -4.062 13.367 1.00 0.00 C ATOM 510 O PRO A 34 5.378 -4.750 14.105 1.00 0.00 O ATOM 511 CB PRO A 34 8.226 -5.366 13.332 1.00 0.00 C ATOM 512 CG PRO A 34 9.301 -4.340 13.442 1.00 0.00 C ATOM 513 CD PRO A 34 9.280 -3.577 12.147 1.00 0.00 C ATOM 0 HA PRO A 34 6.595 -5.401 11.842 1.00 0.00 H new ATOM 0 HB2 PRO A 34 7.842 -5.644 14.314 1.00 0.00 H new ATOM 0 HB3 PRO A 34 8.596 -6.279 12.865 1.00 0.00 H new ATOM 0 HG2 PRO A 34 9.122 -3.677 14.288 1.00 0.00 H new ATOM 0 HG3 PRO A 34 10.272 -4.808 13.603 1.00 0.00 H new ATOM 0 HD2 PRO A 34 9.555 -2.532 12.292 1.00 0.00 H new ATOM 0 HD3 PRO A 34 9.981 -3.994 11.424 1.00 0.00 H new ATOM 521 N SER A 35 5.975 -2.739 13.290 1.00 0.00 N ATOM 522 CA SER A 35 5.003 -2.003 14.090 1.00 0.00 C ATOM 523 C SER A 35 3.703 -1.802 13.316 1.00 0.00 C ATOM 524 O SER A 35 2.689 -1.395 13.880 1.00 0.00 O ATOM 525 CB SER A 35 5.576 -0.648 14.508 1.00 0.00 C ATOM 526 OG SER A 35 4.818 -0.077 15.561 1.00 0.00 O ATOM 0 H SER A 35 6.549 -2.155 12.682 1.00 0.00 H new ATOM 0 HA SER A 35 4.787 -2.589 14.983 1.00 0.00 H new ATOM 0 HB2 SER A 35 6.612 -0.770 14.826 1.00 0.00 H new ATOM 0 HB3 SER A 35 5.582 0.027 13.652 1.00 0.00 H new ATOM 0 HG SER A 35 3.874 -0.316 15.452 1.00 0.00 H new ATOM 532 N ASN A 36 3.744 -2.090 12.019 1.00 0.00 N ATOM 533 CA ASN A 36 2.570 -1.941 11.166 1.00 0.00 C ATOM 534 C ASN A 36 2.295 -3.224 10.389 1.00 0.00 C ATOM 535 O ASN A 36 1.513 -3.231 9.439 1.00 0.00 O ATOM 536 CB ASN A 36 2.766 -0.775 10.195 1.00 0.00 C ATOM 537 CG ASN A 36 3.580 0.352 10.800 1.00 0.00 C ATOM 538 OD1 ASN A 36 3.720 0.446 12.020 1.00 0.00 O ATOM 539 ND2 ASN A 36 4.122 1.214 9.948 1.00 0.00 N ATOM 0 H ASN A 36 4.577 -2.428 11.536 1.00 0.00 H new ATOM 0 HA ASN A 36 1.711 -1.734 11.804 1.00 0.00 H new ATOM 0 HB2 ASN A 36 3.263 -1.136 9.295 1.00 0.00 H new ATOM 0 HB3 ASN A 36 1.792 -0.393 9.890 1.00 0.00 H new ATOM 0 HD21 ASN A 36 4.681 1.993 10.297 1.00 0.00 H new ATOM 0 HD22 ASN A 36 3.980 1.097 8.945 1.00 0.00 H new ATOM 546 N GLU A 37 2.944 -4.310 10.801 1.00 0.00 N ATOM 547 CA GLU A 37 2.769 -5.599 10.143 1.00 0.00 C ATOM 548 C GLU A 37 1.570 -6.346 10.720 1.00 0.00 C ATOM 549 O GLU A 37 0.754 -6.897 9.980 1.00 0.00 O ATOM 550 CB GLU A 37 4.033 -6.448 10.292 1.00 0.00 C ATOM 551 CG GLU A 37 5.140 -6.066 9.325 1.00 0.00 C ATOM 552 CD GLU A 37 6.420 -6.843 9.567 1.00 0.00 C ATOM 553 OE1 GLU A 37 6.496 -7.556 10.589 1.00 0.00 O ATOM 554 OE2 GLU A 37 7.344 -6.739 8.734 1.00 0.00 O ATOM 0 H GLU A 37 3.595 -4.322 11.586 1.00 0.00 H new ATOM 0 HA GLU A 37 2.586 -5.416 9.084 1.00 0.00 H new ATOM 0 HB2 GLU A 37 4.405 -6.355 11.312 1.00 0.00 H new ATOM 0 HB3 GLU A 37 3.776 -7.497 10.141 1.00 0.00 H new ATOM 0 HG2 GLU A 37 4.801 -6.240 8.304 1.00 0.00 H new ATOM 0 HG3 GLU A 37 5.344 -4.999 9.416 1.00 0.00 H new ATOM 561 N ARG A 38 1.471 -6.360 12.045 1.00 0.00 N ATOM 562 CA ARG A 38 0.373 -7.041 12.722 1.00 0.00 C ATOM 563 C ARG A 38 -0.910 -6.953 11.901 1.00 0.00 C ATOM 564 O ARG A 38 -1.634 -7.938 11.754 1.00 0.00 O ATOM 565 CB ARG A 38 0.147 -6.435 14.108 1.00 0.00 C ATOM 566 CG ARG A 38 -1.191 -6.809 14.725 1.00 0.00 C ATOM 567 CD ARG A 38 -2.269 -5.796 14.373 1.00 0.00 C ATOM 568 NE ARG A 38 -2.351 -4.720 15.357 1.00 0.00 N ATOM 569 CZ ARG A 38 -2.814 -4.885 16.591 1.00 0.00 C ATOM 570 NH1 ARG A 38 -3.235 -6.077 16.990 1.00 0.00 N ATOM 571 NH2 ARG A 38 -2.857 -3.856 17.428 1.00 0.00 N ATOM 0 H ARG A 38 2.137 -5.908 12.671 1.00 0.00 H new ATOM 0 HA ARG A 38 0.642 -8.092 12.832 1.00 0.00 H new ATOM 0 HB2 ARG A 38 0.948 -6.760 14.772 1.00 0.00 H new ATOM 0 HB3 ARG A 38 0.214 -5.349 14.036 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -1.491 -7.797 14.376 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -1.089 -6.871 15.808 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -2.062 -5.373 13.390 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -3.233 -6.301 14.306 1.00 0.00 H new ATOM 0 HE ARG A 38 -2.035 -3.790 15.081 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -3.204 -6.870 16.349 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -3.590 -6.201 17.938 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -2.534 -2.937 17.124 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -3.213 -3.984 18.375 1.00 0.00 H new ATOM 585 N LYS A 39 -1.185 -5.768 11.368 1.00 0.00 N ATOM 586 CA LYS A 39 -2.380 -5.550 10.561 1.00 0.00 C ATOM 587 C LYS A 39 -2.262 -6.254 9.213 1.00 0.00 C ATOM 588 O LYS A 39 -3.152 -7.006 8.814 1.00 0.00 O ATOM 589 CB LYS A 39 -2.610 -4.052 10.347 1.00 0.00 C ATOM 590 CG LYS A 39 -1.417 -3.334 9.739 1.00 0.00 C ATOM 591 CD LYS A 39 -1.339 -1.890 10.203 1.00 0.00 C ATOM 592 CE LYS A 39 -2.263 -0.993 9.392 1.00 0.00 C ATOM 593 NZ LYS A 39 -2.243 0.413 9.882 1.00 0.00 N ATOM 0 H LYS A 39 -0.596 -4.943 11.480 1.00 0.00 H new ATOM 0 HA LYS A 39 -3.231 -5.969 11.097 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -3.475 -3.915 9.698 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -2.853 -3.590 11.304 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -0.500 -3.855 10.013 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -1.488 -3.364 8.652 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -1.606 -1.831 11.258 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -0.313 -1.533 10.114 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -1.964 -1.016 8.344 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -3.281 -1.380 9.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -2.970 0.965 9.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -2.437 0.427 10.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -1.308 0.830 9.702 1.00 0.00 H new ATOM 607 N LEU A 40 -1.158 -6.008 8.517 1.00 0.00 N ATOM 608 CA LEU A 40 -0.923 -6.620 7.214 1.00 0.00 C ATOM 609 C LEU A 40 -1.067 -8.137 7.291 1.00 0.00 C ATOM 610 O LEU A 40 -1.686 -8.756 6.426 1.00 0.00 O ATOM 611 CB LEU A 40 0.471 -6.255 6.700 1.00 0.00 C ATOM 612 CG LEU A 40 0.790 -4.761 6.631 1.00 0.00 C ATOM 613 CD1 LEU A 40 2.167 -4.537 6.025 1.00 0.00 C ATOM 614 CD2 LEU A 40 -0.273 -4.025 5.828 1.00 0.00 C ATOM 0 H LEU A 40 -0.411 -5.389 8.833 1.00 0.00 H new ATOM 0 HA LEU A 40 -1.671 -6.236 6.520 1.00 0.00 H new ATOM 0 HB2 LEU A 40 1.210 -6.735 7.341 1.00 0.00 H new ATOM 0 HB3 LEU A 40 0.591 -6.678 5.703 1.00 0.00 H new ATOM 0 HG LEU A 40 0.792 -4.362 7.645 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.377 -3.468 5.984 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.920 -5.031 6.639 1.00 0.00 H new ATOM 0 HD13 LEU A 40 2.193 -4.951 5.017 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -0.030 -2.963 5.789 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -0.307 -4.427 4.815 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -1.245 -4.157 6.303 1.00 0.00 H new ATOM 626 N ASN A 41 -0.494 -8.729 8.333 1.00 0.00 N ATOM 627 CA ASN A 41 -0.560 -10.173 8.524 1.00 0.00 C ATOM 628 C ASN A 41 -1.965 -10.604 8.933 1.00 0.00 C ATOM 629 O ASN A 41 -2.643 -11.324 8.200 1.00 0.00 O ATOM 630 CB ASN A 41 0.450 -10.615 9.586 1.00 0.00 C ATOM 631 CG ASN A 41 0.897 -12.052 9.395 1.00 0.00 C ATOM 632 OD1 ASN A 41 0.637 -12.662 8.358 1.00 0.00 O ATOM 633 ND2 ASN A 41 1.573 -12.598 10.399 1.00 0.00 N ATOM 0 H ASN A 41 0.022 -8.231 9.059 1.00 0.00 H new ATOM 0 HA ASN A 41 -0.314 -10.651 7.576 1.00 0.00 H new ATOM 0 HB2 ASN A 41 1.320 -9.959 9.552 1.00 0.00 H new ATOM 0 HB3 ASN A 41 0.006 -10.504 10.575 1.00 0.00 H new ATOM 0 HD21 ASN A 41 1.900 -13.562 10.329 1.00 0.00 H new ATOM 0 HD22 ASN A 41 1.765 -12.054 11.240 1.00 0.00 H new ATOM 640 N ARG A 42 -2.397 -10.157 10.108 1.00 0.00 N ATOM 641 CA ARG A 42 -3.721 -10.496 10.615 1.00 0.00 C ATOM 642 C ARG A 42 -4.795 -10.196 9.574 1.00 0.00 C ATOM 643 O ARG A 42 -5.555 -11.079 9.178 1.00 0.00 O ATOM 644 CB ARG A 42 -4.012 -9.721 11.901 1.00 0.00 C ATOM 645 CG ARG A 42 -5.263 -10.191 12.626 1.00 0.00 C ATOM 646 CD ARG A 42 -5.013 -11.482 13.390 1.00 0.00 C ATOM 647 NE ARG A 42 -6.137 -11.833 14.254 1.00 0.00 N ATOM 648 CZ ARG A 42 -6.320 -13.046 14.765 1.00 0.00 C ATOM 649 NH1 ARG A 42 -5.458 -14.017 14.500 1.00 0.00 N ATOM 650 NH2 ARG A 42 -7.368 -13.288 15.543 1.00 0.00 N ATOM 0 H ARG A 42 -1.849 -9.559 10.727 1.00 0.00 H new ATOM 0 HA ARG A 42 -3.737 -11.564 10.831 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -3.158 -9.813 12.572 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -4.117 -8.663 11.662 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -5.597 -9.417 13.317 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -6.067 -10.343 11.906 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -4.832 -12.292 12.684 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -4.111 -11.378 13.993 1.00 0.00 H new ATOM 0 HE ARG A 42 -6.819 -11.108 14.477 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -4.652 -13.834 13.903 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -5.601 -14.947 14.894 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -8.033 -12.543 15.749 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -7.508 -14.219 15.935 1.00 0.00 H new ATOM 664 N ALA A 43 -4.852 -8.943 9.134 1.00 0.00 N ATOM 665 CA ALA A 43 -5.832 -8.526 8.138 1.00 0.00 C ATOM 666 C ALA A 43 -5.851 -9.485 6.953 1.00 0.00 C ATOM 667 O ALA A 43 -6.916 -9.859 6.462 1.00 0.00 O ATOM 668 CB ALA A 43 -5.537 -7.109 7.669 1.00 0.00 C ATOM 0 H ALA A 43 -4.231 -8.199 9.452 1.00 0.00 H new ATOM 0 HA ALA A 43 -6.818 -8.545 8.603 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -6.276 -6.810 6.926 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -5.581 -6.428 8.519 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -4.542 -7.072 7.226 1.00 0.00 H new ATOM 674 N PHE A 44 -4.667 -9.878 6.497 1.00 0.00 N ATOM 675 CA PHE A 44 -4.548 -10.793 5.367 1.00 0.00 C ATOM 676 C PHE A 44 -5.429 -12.022 5.567 1.00 0.00 C ATOM 677 O PHE A 44 -5.907 -12.620 4.603 1.00 0.00 O ATOM 678 CB PHE A 44 -3.091 -11.220 5.181 1.00 0.00 C ATOM 679 CG PHE A 44 -2.863 -12.057 3.954 1.00 0.00 C ATOM 680 CD1 PHE A 44 -3.058 -11.524 2.690 1.00 0.00 C ATOM 681 CD2 PHE A 44 -2.456 -13.377 4.065 1.00 0.00 C ATOM 682 CE1 PHE A 44 -2.849 -12.291 1.559 1.00 0.00 C ATOM 683 CE2 PHE A 44 -2.246 -14.148 2.938 1.00 0.00 C ATOM 684 CZ PHE A 44 -2.444 -13.605 1.683 1.00 0.00 C ATOM 0 H PHE A 44 -3.776 -9.578 6.892 1.00 0.00 H new ATOM 0 HA PHE A 44 -4.883 -10.270 4.471 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -2.464 -10.330 5.125 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -2.770 -11.781 6.059 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -3.377 -10.497 2.587 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -2.301 -13.808 5.043 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -3.002 -11.863 0.579 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -1.927 -15.175 3.038 1.00 0.00 H new ATOM 0 HZ PHE A 44 -2.282 -14.207 0.801 1.00 0.00 H new ATOM 694 N TRP A 45 -5.639 -12.393 6.825 1.00 0.00 N ATOM 695 CA TRP A 45 -6.462 -13.552 7.153 1.00 0.00 C ATOM 696 C TRP A 45 -7.899 -13.134 7.443 1.00 0.00 C ATOM 697 O TRP A 45 -8.838 -13.649 6.837 1.00 0.00 O ATOM 698 CB TRP A 45 -5.879 -14.292 8.358 1.00 0.00 C ATOM 699 CG TRP A 45 -4.382 -14.347 8.354 1.00 0.00 C ATOM 700 CD1 TRP A 45 -3.564 -14.336 7.260 1.00 0.00 C ATOM 701 CD2 TRP A 45 -3.524 -14.424 9.498 1.00 0.00 C ATOM 702 NE1 TRP A 45 -2.249 -14.401 7.656 1.00 0.00 N ATOM 703 CE2 TRP A 45 -2.198 -14.455 9.024 1.00 0.00 C ATOM 704 CE3 TRP A 45 -3.747 -14.468 10.877 1.00 0.00 C ATOM 705 CZ2 TRP A 45 -1.103 -14.529 9.880 1.00 0.00 C ATOM 706 CZ3 TRP A 45 -2.659 -14.542 11.726 1.00 0.00 C ATOM 707 CH2 TRP A 45 -1.351 -14.571 11.225 1.00 0.00 C ATOM 0 H TRP A 45 -5.251 -11.908 7.634 1.00 0.00 H new ATOM 0 HA TRP A 45 -6.465 -14.221 6.292 1.00 0.00 H new ATOM 0 HB2 TRP A 45 -6.215 -13.803 9.273 1.00 0.00 H new ATOM 0 HB3 TRP A 45 -6.273 -15.308 8.376 1.00 0.00 H new ATOM 0 HD1 TRP A 45 -3.901 -14.284 6.235 1.00 0.00 H new ATOM 0 HE1 TRP A 45 -1.442 -14.408 7.032 1.00 0.00 H new ATOM 0 HE3 TRP A 45 -4.752 -14.445 11.272 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 -0.094 -14.552 9.496 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 -2.820 -14.578 12.793 1.00 0.00 H new ATOM 0 HH2 TRP A 45 -0.522 -14.628 11.914 1.00 0.00 H new ATOM 718 N GLU A 46 -8.062 -12.198 8.373 1.00 0.00 N ATOM 719 CA GLU A 46 -9.387 -11.713 8.743 1.00 0.00 C ATOM 720 C GLU A 46 -10.122 -11.159 7.526 1.00 0.00 C ATOM 721 O GLU A 46 -11.349 -11.058 7.522 1.00 0.00 O ATOM 722 CB GLU A 46 -9.276 -10.632 9.821 1.00 0.00 C ATOM 723 CG GLU A 46 -8.633 -11.121 11.108 1.00 0.00 C ATOM 724 CD GLU A 46 -9.629 -11.778 12.044 1.00 0.00 C ATOM 725 OE1 GLU A 46 -10.400 -11.045 12.699 1.00 0.00 O ATOM 726 OE2 GLU A 46 -9.638 -13.024 12.122 1.00 0.00 O ATOM 0 H GLU A 46 -7.295 -11.761 8.883 1.00 0.00 H new ATOM 0 HA GLU A 46 -9.957 -12.554 9.139 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -8.695 -9.797 9.429 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -10.272 -10.250 10.045 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -7.842 -11.832 10.868 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -8.162 -10.280 11.617 1.00 0.00 H new ATOM 733 N SER A 47 -9.363 -10.801 6.495 1.00 0.00 N ATOM 734 CA SER A 47 -9.942 -10.253 5.274 1.00 0.00 C ATOM 735 C SER A 47 -9.575 -11.110 4.067 1.00 0.00 C ATOM 736 O SER A 47 -8.728 -11.999 4.157 1.00 0.00 O ATOM 737 CB SER A 47 -9.463 -8.816 5.058 1.00 0.00 C ATOM 738 OG SER A 47 -10.171 -7.912 5.888 1.00 0.00 O ATOM 0 H SER A 47 -8.346 -10.881 6.481 1.00 0.00 H new ATOM 0 HA SER A 47 -11.027 -10.255 5.383 1.00 0.00 H new ATOM 0 HB2 SER A 47 -8.396 -8.749 5.270 1.00 0.00 H new ATOM 0 HB3 SER A 47 -9.599 -8.537 4.013 1.00 0.00 H new ATOM 0 HG SER A 47 -10.772 -7.366 5.339 1.00 0.00 H new ATOM 744 N SER A 48 -10.219 -10.837 2.937 1.00 0.00 N ATOM 745 CA SER A 48 -9.964 -11.585 1.711 1.00 0.00 C ATOM 746 C SER A 48 -8.650 -11.148 1.071 1.00 0.00 C ATOM 747 O SER A 48 -7.783 -11.973 0.784 1.00 0.00 O ATOM 748 CB SER A 48 -11.116 -11.393 0.722 1.00 0.00 C ATOM 749 OG SER A 48 -11.256 -12.521 -0.124 1.00 0.00 O ATOM 0 H SER A 48 -10.921 -10.103 2.845 1.00 0.00 H new ATOM 0 HA SER A 48 -9.888 -12.641 1.968 1.00 0.00 H new ATOM 0 HB2 SER A 48 -12.044 -11.227 1.268 1.00 0.00 H new ATOM 0 HB3 SER A 48 -10.937 -10.503 0.119 1.00 0.00 H new ATOM 0 HG SER A 48 -12.000 -12.374 -0.745 1.00 0.00 H new ATOM 755 N ILE A 49 -8.512 -9.845 0.850 1.00 0.00 N ATOM 756 CA ILE A 49 -7.305 -9.297 0.245 1.00 0.00 C ATOM 757 C ILE A 49 -6.780 -8.108 1.043 1.00 0.00 C ATOM 758 O ILE A 49 -7.471 -7.578 1.913 1.00 0.00 O ATOM 759 CB ILE A 49 -7.554 -8.855 -1.209 1.00 0.00 C ATOM 760 CG1 ILE A 49 -8.306 -9.946 -1.975 1.00 0.00 C ATOM 761 CG2 ILE A 49 -6.237 -8.529 -1.897 1.00 0.00 C ATOM 762 CD1 ILE A 49 -8.889 -9.470 -3.287 1.00 0.00 C ATOM 0 H ILE A 49 -9.221 -9.149 1.081 1.00 0.00 H new ATOM 0 HA ILE A 49 -6.560 -10.093 0.252 1.00 0.00 H new ATOM 0 HB ILE A 49 -8.168 -7.955 -1.199 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -7.627 -10.777 -2.168 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -9.110 -10.331 -1.348 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -6.430 -8.218 -2.924 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -5.737 -7.722 -1.362 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -5.599 -9.413 -1.899 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -9.407 -10.295 -3.775 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -9.593 -8.659 -3.099 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -8.087 -9.112 -3.933 1.00 0.00 H new ATOM 774 N VAL A 50 -5.554 -7.693 0.740 1.00 0.00 N ATOM 775 CA VAL A 50 -4.938 -6.565 1.427 1.00 0.00 C ATOM 776 C VAL A 50 -4.280 -5.611 0.436 1.00 0.00 C ATOM 777 O VAL A 50 -3.197 -5.886 -0.081 1.00 0.00 O ATOM 778 CB VAL A 50 -3.883 -7.036 2.446 1.00 0.00 C ATOM 779 CG1 VAL A 50 -3.099 -5.852 2.989 1.00 0.00 C ATOM 780 CG2 VAL A 50 -4.544 -7.812 3.575 1.00 0.00 C ATOM 0 H VAL A 50 -4.968 -8.121 0.023 1.00 0.00 H new ATOM 0 HA VAL A 50 -5.735 -6.043 1.956 1.00 0.00 H new ATOM 0 HB VAL A 50 -3.184 -7.701 1.939 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -2.359 -6.204 3.707 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -2.594 -5.342 2.168 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -3.781 -5.159 3.482 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -3.785 -8.137 4.286 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -5.266 -7.172 4.082 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -5.056 -8.683 3.167 1.00 0.00 H new ATOM 790 N TYR A 51 -4.942 -4.489 0.176 1.00 0.00 N ATOM 791 CA TYR A 51 -4.423 -3.494 -0.755 1.00 0.00 C ATOM 792 C TYR A 51 -3.399 -2.592 -0.073 1.00 0.00 C ATOM 793 O TYR A 51 -3.634 -2.083 1.023 1.00 0.00 O ATOM 794 CB TYR A 51 -5.565 -2.650 -1.322 1.00 0.00 C ATOM 795 CG TYR A 51 -6.346 -3.343 -2.416 1.00 0.00 C ATOM 796 CD1 TYR A 51 -5.694 -4.000 -3.452 1.00 0.00 C ATOM 797 CD2 TYR A 51 -7.735 -3.342 -2.412 1.00 0.00 C ATOM 798 CE1 TYR A 51 -6.403 -4.633 -4.454 1.00 0.00 C ATOM 799 CE2 TYR A 51 -8.452 -3.975 -3.409 1.00 0.00 C ATOM 800 CZ TYR A 51 -7.782 -4.619 -4.428 1.00 0.00 C ATOM 801 OH TYR A 51 -8.491 -5.250 -5.424 1.00 0.00 O ATOM 0 H TYR A 51 -5.839 -4.246 0.597 1.00 0.00 H new ATOM 0 HA TYR A 51 -3.930 -4.021 -1.572 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -6.246 -2.385 -0.513 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -5.157 -1.718 -1.713 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -4.614 -4.016 -3.474 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -8.263 -2.838 -1.616 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -5.880 -5.136 -5.254 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -9.532 -3.966 -3.390 1.00 0.00 H new ATOM 0 HH TYR A 51 -9.451 -5.148 -5.257 1.00 0.00 H new ATOM 811 N LEU A 52 -2.261 -2.397 -0.731 1.00 0.00 N ATOM 812 CA LEU A 52 -1.199 -1.556 -0.190 1.00 0.00 C ATOM 813 C LEU A 52 -0.715 -0.552 -1.232 1.00 0.00 C ATOM 814 O LEU A 52 -0.057 -0.921 -2.206 1.00 0.00 O ATOM 815 CB LEU A 52 -0.029 -2.419 0.285 1.00 0.00 C ATOM 816 CG LEU A 52 -0.400 -3.689 1.052 1.00 0.00 C ATOM 817 CD1 LEU A 52 0.754 -4.679 1.034 1.00 0.00 C ATOM 818 CD2 LEU A 52 -0.794 -3.352 2.482 1.00 0.00 C ATOM 0 H LEU A 52 -2.050 -2.810 -1.640 1.00 0.00 H new ATOM 0 HA LEU A 52 -1.603 -1.005 0.659 1.00 0.00 H new ATOM 0 HB2 LEU A 52 0.563 -2.704 -0.585 1.00 0.00 H new ATOM 0 HB3 LEU A 52 0.612 -1.809 0.921 1.00 0.00 H new ATOM 0 HG LEU A 52 -1.256 -4.151 0.560 1.00 0.00 H new ATOM 0 HD11 LEU A 52 0.472 -5.577 1.585 1.00 0.00 H new ATOM 0 HD12 LEU A 52 0.990 -4.944 0.003 1.00 0.00 H new ATOM 0 HD13 LEU A 52 1.629 -4.227 1.501 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -1.055 -4.268 3.013 1.00 0.00 H new ATOM 0 HD22 LEU A 52 0.042 -2.867 2.985 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -1.652 -2.680 2.474 1.00 0.00 H new ATOM 830 N VAL A 53 -1.044 0.718 -1.021 1.00 0.00 N ATOM 831 CA VAL A 53 -0.640 1.776 -1.940 1.00 0.00 C ATOM 832 C VAL A 53 0.775 2.255 -1.638 1.00 0.00 C ATOM 833 O VAL A 53 1.008 2.958 -0.654 1.00 0.00 O ATOM 834 CB VAL A 53 -1.603 2.976 -1.871 1.00 0.00 C ATOM 835 CG1 VAL A 53 -1.151 4.078 -2.818 1.00 0.00 C ATOM 836 CG2 VAL A 53 -3.024 2.538 -2.190 1.00 0.00 C ATOM 0 H VAL A 53 -1.589 1.040 -0.221 1.00 0.00 H new ATOM 0 HA VAL A 53 -0.670 1.353 -2.944 1.00 0.00 H new ATOM 0 HB VAL A 53 -1.589 3.373 -0.856 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -1.843 4.918 -2.756 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -0.151 4.410 -2.539 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -1.134 3.696 -3.839 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -3.691 3.399 -2.137 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -3.058 2.115 -3.194 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -3.344 1.786 -1.468 1.00 0.00 H new ATOM 846 N PHE A 54 1.718 1.871 -2.492 1.00 0.00 N ATOM 847 CA PHE A 54 3.112 2.261 -2.317 1.00 0.00 C ATOM 848 C PHE A 54 3.388 3.606 -2.983 1.00 0.00 C ATOM 849 O PHE A 54 2.969 3.848 -4.115 1.00 0.00 O ATOM 850 CB PHE A 54 4.040 1.192 -2.898 1.00 0.00 C ATOM 851 CG PHE A 54 3.899 -0.148 -2.234 1.00 0.00 C ATOM 852 CD1 PHE A 54 2.887 -1.018 -2.607 1.00 0.00 C ATOM 853 CD2 PHE A 54 4.779 -0.538 -1.237 1.00 0.00 C ATOM 854 CE1 PHE A 54 2.755 -2.252 -1.999 1.00 0.00 C ATOM 855 CE2 PHE A 54 4.652 -1.771 -0.625 1.00 0.00 C ATOM 856 CZ PHE A 54 3.638 -2.628 -1.006 1.00 0.00 C ATOM 0 H PHE A 54 1.542 1.290 -3.312 1.00 0.00 H new ATOM 0 HA PHE A 54 3.305 2.358 -1.249 1.00 0.00 H new ATOM 0 HB2 PHE A 54 3.835 1.084 -3.963 1.00 0.00 H new ATOM 0 HB3 PHE A 54 5.073 1.528 -2.804 1.00 0.00 H new ATOM 0 HD1 PHE A 54 2.193 -0.728 -3.382 1.00 0.00 H new ATOM 0 HD2 PHE A 54 5.573 0.129 -0.935 1.00 0.00 H new ATOM 0 HE1 PHE A 54 1.963 -2.921 -2.300 1.00 0.00 H new ATOM 0 HE2 PHE A 54 5.345 -2.064 0.150 1.00 0.00 H new ATOM 0 HZ PHE A 54 3.536 -3.591 -0.528 1.00 0.00 H new ATOM 866 N SER A 55 4.096 4.478 -2.272 1.00 0.00 N ATOM 867 CA SER A 55 4.425 5.800 -2.791 1.00 0.00 C ATOM 868 C SER A 55 5.702 6.334 -2.149 1.00 0.00 C ATOM 869 O SER A 55 5.757 6.555 -0.940 1.00 0.00 O ATOM 870 CB SER A 55 3.270 6.772 -2.540 1.00 0.00 C ATOM 871 OG SER A 55 3.365 7.906 -3.384 1.00 0.00 O ATOM 0 H SER A 55 4.453 4.292 -1.335 1.00 0.00 H new ATOM 0 HA SER A 55 4.589 5.711 -3.865 1.00 0.00 H new ATOM 0 HB2 SER A 55 2.320 6.265 -2.712 1.00 0.00 H new ATOM 0 HB3 SER A 55 3.278 7.089 -1.497 1.00 0.00 H new ATOM 0 HG SER A 55 2.615 8.511 -3.205 1.00 0.00 H new ATOM 877 N VAL A 56 6.728 6.539 -2.969 1.00 0.00 N ATOM 878 CA VAL A 56 8.005 7.048 -2.483 1.00 0.00 C ATOM 879 C VAL A 56 7.857 8.458 -1.923 1.00 0.00 C ATOM 880 O VAL A 56 7.217 9.314 -2.532 1.00 0.00 O ATOM 881 CB VAL A 56 9.066 7.060 -3.600 1.00 0.00 C ATOM 882 CG1 VAL A 56 10.342 7.732 -3.117 1.00 0.00 C ATOM 883 CG2 VAL A 56 9.348 5.645 -4.082 1.00 0.00 C ATOM 0 H VAL A 56 6.700 6.360 -3.973 1.00 0.00 H new ATOM 0 HA VAL A 56 8.332 6.377 -1.689 1.00 0.00 H new ATOM 0 HB VAL A 56 8.677 7.635 -4.441 1.00 0.00 H new ATOM 0 HG11 VAL A 56 11.080 7.731 -3.919 1.00 0.00 H new ATOM 0 HG12 VAL A 56 10.124 8.759 -2.825 1.00 0.00 H new ATOM 0 HG13 VAL A 56 10.738 7.188 -2.260 1.00 0.00 H new ATOM 0 HG21 VAL A 56 10.100 5.672 -4.871 1.00 0.00 H new ATOM 0 HG22 VAL A 56 9.716 5.044 -3.251 1.00 0.00 H new ATOM 0 HG23 VAL A 56 8.430 5.203 -4.470 1.00 0.00 H new ATOM 893 N GLN A 57 8.454 8.691 -0.758 1.00 0.00 N ATOM 894 CA GLN A 57 8.389 9.998 -0.115 1.00 0.00 C ATOM 895 C GLN A 57 8.785 11.104 -1.088 1.00 0.00 C ATOM 896 O GLN A 57 9.927 11.168 -1.540 1.00 0.00 O ATOM 897 CB GLN A 57 9.300 10.032 1.113 1.00 0.00 C ATOM 898 CG GLN A 57 8.614 9.585 2.393 1.00 0.00 C ATOM 899 CD GLN A 57 9.595 9.117 3.449 1.00 0.00 C ATOM 900 OE1 GLN A 57 10.415 8.232 3.203 1.00 0.00 O ATOM 901 NE2 GLN A 57 9.517 9.711 4.635 1.00 0.00 N ATOM 0 H GLN A 57 8.988 7.992 -0.241 1.00 0.00 H new ATOM 0 HA GLN A 57 7.360 10.169 0.201 1.00 0.00 H new ATOM 0 HB2 GLN A 57 10.164 9.393 0.932 1.00 0.00 H new ATOM 0 HB3 GLN A 57 9.676 11.046 1.248 1.00 0.00 H new ATOM 0 HG2 GLN A 57 8.024 10.410 2.791 1.00 0.00 H new ATOM 0 HG3 GLN A 57 7.919 8.777 2.165 1.00 0.00 H new ATOM 0 HE21 GLN A 57 8.822 10.440 4.795 1.00 0.00 H new ATOM 0 HE22 GLN A 57 10.152 9.438 5.385 1.00 0.00 H new ATOM 910 N GLY A 58 7.831 11.975 -1.407 1.00 0.00 N ATOM 911 CA GLY A 58 8.100 13.066 -2.324 1.00 0.00 C ATOM 912 C GLY A 58 7.523 12.819 -3.704 1.00 0.00 C ATOM 913 O GLY A 58 6.987 13.731 -4.333 1.00 0.00 O ATOM 0 H GLY A 58 6.877 11.944 -1.046 1.00 0.00 H new ATOM 0 HA2 GLY A 58 7.683 13.988 -1.919 1.00 0.00 H new ATOM 0 HA3 GLY A 58 9.177 13.212 -2.405 1.00 0.00 H new ATOM 917 N SER A 59 7.635 11.582 -4.178 1.00 0.00 N ATOM 918 CA SER A 59 7.125 11.219 -5.495 1.00 0.00 C ATOM 919 C SER A 59 5.799 11.919 -5.776 1.00 0.00 C ATOM 920 O SER A 59 4.774 11.596 -5.177 1.00 0.00 O ATOM 921 CB SER A 59 6.945 9.703 -5.595 1.00 0.00 C ATOM 922 OG SER A 59 6.200 9.353 -6.748 1.00 0.00 O ATOM 0 H SER A 59 8.074 10.815 -3.670 1.00 0.00 H new ATOM 0 HA SER A 59 7.852 11.542 -6.240 1.00 0.00 H new ATOM 0 HB2 SER A 59 7.921 9.219 -5.628 1.00 0.00 H new ATOM 0 HB3 SER A 59 6.437 9.334 -4.704 1.00 0.00 H new ATOM 0 HG SER A 59 5.335 8.979 -6.478 1.00 0.00 H new ATOM 928 N GLY A 60 5.828 12.882 -6.692 1.00 0.00 N ATOM 929 CA GLY A 60 4.623 13.614 -7.038 1.00 0.00 C ATOM 930 C GLY A 60 3.461 12.697 -7.364 1.00 0.00 C ATOM 931 O GLY A 60 2.305 13.031 -7.101 1.00 0.00 O ATOM 0 H GLY A 60 6.664 13.169 -7.201 1.00 0.00 H new ATOM 0 HA2 GLY A 60 4.346 14.265 -6.209 1.00 0.00 H new ATOM 0 HA3 GLY A 60 4.826 14.257 -7.894 1.00 0.00 H new ATOM 935 N HIS A 61 3.766 11.538 -7.938 1.00 0.00 N ATOM 936 CA HIS A 61 2.737 10.570 -8.301 1.00 0.00 C ATOM 937 C HIS A 61 2.772 9.364 -7.367 1.00 0.00 C ATOM 938 O HIS A 61 3.649 9.255 -6.510 1.00 0.00 O ATOM 939 CB HIS A 61 2.925 10.114 -9.749 1.00 0.00 C ATOM 940 CG HIS A 61 2.806 11.224 -10.747 1.00 0.00 C ATOM 941 ND1 HIS A 61 3.176 12.524 -10.474 1.00 0.00 N ATOM 942 CD2 HIS A 61 2.358 11.222 -12.024 1.00 0.00 C ATOM 943 CE1 HIS A 61 2.958 13.274 -11.539 1.00 0.00 C ATOM 944 NE2 HIS A 61 2.462 12.508 -12.494 1.00 0.00 N ATOM 0 H HIS A 61 4.717 11.246 -8.162 1.00 0.00 H new ATOM 0 HA HIS A 61 1.766 11.055 -8.203 1.00 0.00 H new ATOM 0 HB2 HIS A 61 3.906 9.649 -9.850 1.00 0.00 H new ATOM 0 HB3 HIS A 61 2.184 9.349 -9.979 1.00 0.00 H new ATOM 0 HD2 HIS A 61 1.988 10.368 -12.572 1.00 0.00 H new ATOM 0 HE1 HIS A 61 3.152 14.334 -11.616 1.00 0.00 H new ATOM 0 HE2 HIS A 61 2.199 12.821 -13.429 1.00 0.00 H new ATOM 952 N PHE A 62 1.811 8.462 -7.537 1.00 0.00 N ATOM 953 CA PHE A 62 1.730 7.266 -6.708 1.00 0.00 C ATOM 954 C PHE A 62 2.408 6.083 -7.393 1.00 0.00 C ATOM 955 O PHE A 62 1.903 5.553 -8.382 1.00 0.00 O ATOM 956 CB PHE A 62 0.268 6.926 -6.407 1.00 0.00 C ATOM 957 CG PHE A 62 -0.260 7.597 -5.171 1.00 0.00 C ATOM 958 CD1 PHE A 62 -0.041 7.046 -3.919 1.00 0.00 C ATOM 959 CD2 PHE A 62 -0.977 8.780 -5.262 1.00 0.00 C ATOM 960 CE1 PHE A 62 -0.526 7.661 -2.781 1.00 0.00 C ATOM 961 CE2 PHE A 62 -1.464 9.400 -4.127 1.00 0.00 C ATOM 962 CZ PHE A 62 -1.239 8.839 -2.885 1.00 0.00 C ATOM 0 H PHE A 62 1.077 8.537 -8.242 1.00 0.00 H new ATOM 0 HA PHE A 62 2.249 7.468 -5.771 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -0.347 7.215 -7.259 1.00 0.00 H new ATOM 0 HB3 PHE A 62 0.170 5.846 -6.295 1.00 0.00 H new ATOM 0 HD1 PHE A 62 0.516 6.125 -3.832 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -1.157 9.222 -6.231 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -0.348 7.221 -1.811 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -2.020 10.322 -4.211 1.00 0.00 H new ATOM 0 HZ PHE A 62 -1.620 9.321 -1.997 1.00 0.00 H new ATOM 972 N GLN A 63 3.554 5.674 -6.858 1.00 0.00 N ATOM 973 CA GLN A 63 4.302 4.555 -7.418 1.00 0.00 C ATOM 974 C GLN A 63 3.366 3.415 -7.806 1.00 0.00 C ATOM 975 O GLN A 63 3.684 2.607 -8.678 1.00 0.00 O ATOM 976 CB GLN A 63 5.344 4.057 -6.415 1.00 0.00 C ATOM 977 CG GLN A 63 6.676 4.782 -6.511 1.00 0.00 C ATOM 978 CD GLN A 63 7.239 4.783 -7.919 1.00 0.00 C ATOM 979 OE1 GLN A 63 7.592 5.964 -8.415 1.00 0.00 O flip ATOM 980 NE2 GLN A 63 7.356 3.735 -8.554 1.00 0.00 N flip ATOM 0 H GLN A 63 3.984 6.101 -6.038 1.00 0.00 H new ATOM 0 HA GLN A 63 4.811 4.904 -8.316 1.00 0.00 H new ATOM 0 HB2 GLN A 63 4.949 4.173 -5.406 1.00 0.00 H new ATOM 0 HB3 GLN A 63 5.508 2.991 -6.573 1.00 0.00 H new ATOM 0 HG2 GLN A 63 6.551 5.811 -6.173 1.00 0.00 H new ATOM 0 HG3 GLN A 63 7.392 4.310 -5.838 1.00 0.00 H new ATOM 0 HE21 GLN A 63 7.072 2.850 -8.134 1.00 0.00 H new ATOM 0 HE22 GLN A 63 7.737 3.752 -9.500 1.00 0.00 H new ATOM 989 N GLY A 64 2.211 3.355 -7.151 1.00 0.00 N ATOM 990 CA GLY A 64 1.247 2.310 -7.441 1.00 0.00 C ATOM 991 C GLY A 64 0.878 1.504 -6.211 1.00 0.00 C ATOM 992 O GLY A 64 1.508 1.636 -5.161 1.00 0.00 O ATOM 0 H GLY A 64 1.926 4.012 -6.424 1.00 0.00 H new ATOM 0 HA2 GLY A 64 0.347 2.757 -7.862 1.00 0.00 H new ATOM 0 HA3 GLY A 64 1.656 1.643 -8.200 1.00 0.00 H new ATOM 996 N PHE A 65 -0.147 0.668 -6.339 1.00 0.00 N ATOM 997 CA PHE A 65 -0.601 -0.160 -5.228 1.00 0.00 C ATOM 998 C PHE A 65 -0.369 -1.640 -5.522 1.00 0.00 C ATOM 999 O PHE A 65 -0.095 -2.022 -6.660 1.00 0.00 O ATOM 1000 CB PHE A 65 -2.085 0.090 -4.950 1.00 0.00 C ATOM 1001 CG PHE A 65 -3.002 -0.681 -5.856 1.00 0.00 C ATOM 1002 CD1 PHE A 65 -3.231 -0.257 -7.156 1.00 0.00 C ATOM 1003 CD2 PHE A 65 -3.635 -1.830 -5.409 1.00 0.00 C ATOM 1004 CE1 PHE A 65 -4.075 -0.964 -7.991 1.00 0.00 C ATOM 1005 CE2 PHE A 65 -4.480 -2.541 -6.240 1.00 0.00 C ATOM 1006 CZ PHE A 65 -4.699 -2.108 -7.533 1.00 0.00 C ATOM 0 H PHE A 65 -0.679 0.546 -7.201 1.00 0.00 H new ATOM 0 HA PHE A 65 -0.023 0.112 -4.345 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -2.302 -0.175 -3.915 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -2.292 1.155 -5.057 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -2.744 0.636 -7.520 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -3.466 -2.174 -4.399 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -4.247 -0.622 -9.001 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -4.968 -3.434 -5.879 1.00 0.00 H new ATOM 0 HZ PHE A 65 -5.357 -2.663 -8.185 1.00 0.00 H new ATOM 1016 N SER A 66 -0.481 -2.467 -4.488 1.00 0.00 N ATOM 1017 CA SER A 66 -0.279 -3.904 -4.634 1.00 0.00 C ATOM 1018 C SER A 66 -1.056 -4.672 -3.569 1.00 0.00 C ATOM 1019 O SER A 66 -1.058 -4.299 -2.396 1.00 0.00 O ATOM 1020 CB SER A 66 1.210 -4.244 -4.539 1.00 0.00 C ATOM 1021 OG SER A 66 2.008 -3.177 -5.022 1.00 0.00 O ATOM 0 H SER A 66 -0.710 -2.167 -3.540 1.00 0.00 H new ATOM 0 HA SER A 66 -0.650 -4.200 -5.615 1.00 0.00 H new ATOM 0 HB2 SER A 66 1.472 -4.458 -3.503 1.00 0.00 H new ATOM 0 HB3 SER A 66 1.418 -5.147 -5.114 1.00 0.00 H new ATOM 0 HG SER A 66 2.527 -3.481 -5.796 1.00 0.00 H new ATOM 1027 N ARG A 67 -1.716 -5.748 -3.988 1.00 0.00 N ATOM 1028 CA ARG A 67 -2.498 -6.569 -3.072 1.00 0.00 C ATOM 1029 C ARG A 67 -1.660 -7.718 -2.520 1.00 0.00 C ATOM 1030 O ARG A 67 -1.121 -8.525 -3.276 1.00 0.00 O ATOM 1031 CB ARG A 67 -3.737 -7.121 -3.780 1.00 0.00 C ATOM 1032 CG ARG A 67 -3.412 -8.034 -4.951 1.00 0.00 C ATOM 1033 CD ARG A 67 -4.676 -8.556 -5.617 1.00 0.00 C ATOM 1034 NE ARG A 67 -4.455 -9.838 -6.281 1.00 0.00 N ATOM 1035 CZ ARG A 67 -5.437 -10.629 -6.696 1.00 0.00 C ATOM 1036 NH1 ARG A 67 -6.701 -10.272 -6.516 1.00 0.00 N ATOM 1037 NH2 ARG A 67 -5.156 -11.781 -7.292 1.00 0.00 N ATOM 0 H ARG A 67 -1.724 -6.071 -4.956 1.00 0.00 H new ATOM 0 HA ARG A 67 -2.813 -5.940 -2.239 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -4.343 -7.670 -3.059 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -4.343 -6.288 -4.137 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -2.812 -7.491 -5.681 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -2.809 -8.873 -4.603 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -5.461 -8.666 -4.869 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -5.030 -7.827 -6.346 1.00 0.00 H new ATOM 0 HE ARG A 67 -3.494 -10.142 -6.434 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -6.921 -9.388 -6.058 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -7.454 -10.882 -6.836 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -4.185 -12.059 -7.432 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -5.911 -12.388 -7.610 1.00 0.00 H new ATOM 1051 N MET A 68 -1.554 -7.783 -1.196 1.00 0.00 N ATOM 1052 CA MET A 68 -0.781 -8.834 -0.544 1.00 0.00 C ATOM 1053 C MET A 68 -1.137 -10.204 -1.112 1.00 0.00 C ATOM 1054 O MET A 68 -2.311 -10.518 -1.309 1.00 0.00 O ATOM 1055 CB MET A 68 -1.029 -8.815 0.966 1.00 0.00 C ATOM 1056 CG MET A 68 0.181 -9.234 1.785 1.00 0.00 C ATOM 1057 SD MET A 68 0.242 -8.428 3.397 1.00 0.00 S ATOM 1058 CE MET A 68 0.646 -9.816 4.455 1.00 0.00 C ATOM 0 H MET A 68 -1.993 -7.122 -0.555 1.00 0.00 H new ATOM 0 HA MET A 68 0.275 -8.645 -0.735 1.00 0.00 H new ATOM 0 HB2 MET A 68 -1.329 -7.810 1.264 1.00 0.00 H new ATOM 0 HB3 MET A 68 -1.862 -9.479 1.198 1.00 0.00 H new ATOM 0 HG2 MET A 68 0.164 -10.315 1.924 1.00 0.00 H new ATOM 0 HG3 MET A 68 1.089 -8.998 1.231 1.00 0.00 H new ATOM 0 HE1 MET A 68 0.684 -9.484 5.492 1.00 0.00 H new ATOM 0 HE2 MET A 68 -0.116 -10.588 4.349 1.00 0.00 H new ATOM 0 HE3 MET A 68 1.616 -10.222 4.168 1.00 0.00 H new ATOM 1068 N SER A 69 -0.117 -11.015 -1.373 1.00 0.00 N ATOM 1069 CA SER A 69 -0.323 -12.350 -1.923 1.00 0.00 C ATOM 1070 C SER A 69 0.014 -13.420 -0.890 1.00 0.00 C ATOM 1071 O SER A 69 -0.571 -14.504 -0.889 1.00 0.00 O ATOM 1072 CB SER A 69 0.533 -12.546 -3.176 1.00 0.00 C ATOM 1073 OG SER A 69 0.322 -13.828 -3.742 1.00 0.00 O ATOM 0 H SER A 69 0.860 -10.771 -1.213 1.00 0.00 H new ATOM 0 HA SER A 69 -1.375 -12.448 -2.192 1.00 0.00 H new ATOM 0 HB2 SER A 69 0.291 -11.777 -3.909 1.00 0.00 H new ATOM 0 HB3 SER A 69 1.586 -12.425 -2.923 1.00 0.00 H new ATOM 0 HG SER A 69 0.879 -13.928 -4.542 1.00 0.00 H new ATOM 1079 N SER A 70 0.961 -13.109 -0.011 1.00 0.00 N ATOM 1080 CA SER A 70 1.381 -14.045 1.025 1.00 0.00 C ATOM 1081 C SER A 70 1.456 -13.353 2.383 1.00 0.00 C ATOM 1082 O SER A 70 1.532 -12.128 2.464 1.00 0.00 O ATOM 1083 CB SER A 70 2.740 -14.653 0.674 1.00 0.00 C ATOM 1084 OG SER A 70 2.973 -15.841 1.411 1.00 0.00 O ATOM 0 H SER A 70 1.452 -12.215 0.004 1.00 0.00 H new ATOM 0 HA SER A 70 0.639 -14.842 1.082 1.00 0.00 H new ATOM 0 HB2 SER A 70 2.780 -14.870 -0.393 1.00 0.00 H new ATOM 0 HB3 SER A 70 3.530 -13.931 0.883 1.00 0.00 H new ATOM 0 HG SER A 70 3.847 -16.211 1.167 1.00 0.00 H new ATOM 1090 N GLU A 71 1.434 -14.149 3.448 1.00 0.00 N ATOM 1091 CA GLU A 71 1.499 -13.614 4.802 1.00 0.00 C ATOM 1092 C GLU A 71 2.935 -13.259 5.179 1.00 0.00 C ATOM 1093 O GLU A 71 3.878 -13.608 4.468 1.00 0.00 O ATOM 1094 CB GLU A 71 0.933 -14.625 5.802 1.00 0.00 C ATOM 1095 CG GLU A 71 1.731 -15.916 5.880 1.00 0.00 C ATOM 1096 CD GLU A 71 2.826 -15.862 6.927 1.00 0.00 C ATOM 1097 OE1 GLU A 71 3.941 -15.407 6.596 1.00 0.00 O ATOM 1098 OE2 GLU A 71 2.568 -16.275 8.076 1.00 0.00 O ATOM 0 H GLU A 71 1.372 -15.166 3.399 1.00 0.00 H new ATOM 0 HA GLU A 71 0.898 -12.705 4.835 1.00 0.00 H new ATOM 0 HB2 GLU A 71 0.902 -14.167 6.791 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -0.095 -14.859 5.526 1.00 0.00 H new ATOM 0 HG2 GLU A 71 1.057 -16.742 6.107 1.00 0.00 H new ATOM 0 HG3 GLU A 71 2.174 -16.124 4.906 1.00 0.00 H new ATOM 1105 N ILE A 72 3.091 -12.564 6.301 1.00 0.00 N ATOM 1106 CA ILE A 72 4.411 -12.163 6.772 1.00 0.00 C ATOM 1107 C ILE A 72 5.025 -13.235 7.665 1.00 0.00 C ATOM 1108 O ILE A 72 4.364 -13.771 8.554 1.00 0.00 O ATOM 1109 CB ILE A 72 4.351 -10.835 7.550 1.00 0.00 C ATOM 1110 CG1 ILE A 72 3.604 -9.776 6.737 1.00 0.00 C ATOM 1111 CG2 ILE A 72 5.754 -10.356 7.890 1.00 0.00 C ATOM 1112 CD1 ILE A 72 3.105 -8.615 7.569 1.00 0.00 C ATOM 0 H ILE A 72 2.321 -12.267 6.900 1.00 0.00 H new ATOM 0 HA ILE A 72 5.035 -12.029 5.888 1.00 0.00 H new ATOM 0 HB ILE A 72 3.809 -11.001 8.481 1.00 0.00 H new ATOM 0 HG12 ILE A 72 4.264 -9.396 5.957 1.00 0.00 H new ATOM 0 HG13 ILE A 72 2.756 -10.245 6.237 1.00 0.00 H new ATOM 0 HG21 ILE A 72 5.695 -9.417 8.440 1.00 0.00 H new ATOM 0 HG22 ILE A 72 6.255 -11.104 8.504 1.00 0.00 H new ATOM 0 HG23 ILE A 72 6.319 -10.203 6.971 1.00 0.00 H new ATOM 0 HD11 ILE A 72 2.586 -7.904 6.927 1.00 0.00 H new ATOM 0 HD12 ILE A 72 2.419 -8.983 8.332 1.00 0.00 H new ATOM 0 HD13 ILE A 72 3.950 -8.121 8.048 1.00 0.00 H new ATOM 1124 N GLY A 73 6.296 -13.542 7.424 1.00 0.00 N ATOM 1125 CA GLY A 73 6.979 -14.548 8.216 1.00 0.00 C ATOM 1126 C GLY A 73 7.981 -15.344 7.403 1.00 0.00 C ATOM 1127 O GLY A 73 9.004 -14.812 6.973 1.00 0.00 O ATOM 0 H GLY A 73 6.865 -13.112 6.695 1.00 0.00 H new ATOM 0 HA2 GLY A 73 7.492 -14.065 9.047 1.00 0.00 H new ATOM 0 HA3 GLY A 73 6.244 -15.228 8.647 1.00 0.00 H new ATOM 1131 N ARG A 74 7.688 -16.623 7.194 1.00 0.00 N ATOM 1132 CA ARG A 74 8.572 -17.495 6.430 1.00 0.00 C ATOM 1133 C ARG A 74 9.274 -16.719 5.319 1.00 0.00 C ATOM 1134 O ARG A 74 10.487 -16.828 5.144 1.00 0.00 O ATOM 1135 CB ARG A 74 7.782 -18.661 5.832 1.00 0.00 C ATOM 1136 CG ARG A 74 6.383 -18.278 5.377 1.00 0.00 C ATOM 1137 CD ARG A 74 5.376 -19.373 5.695 1.00 0.00 C ATOM 1138 NE ARG A 74 5.219 -20.310 4.586 1.00 0.00 N ATOM 1139 CZ ARG A 74 4.589 -20.012 3.455 1.00 0.00 C ATOM 1140 NH1 ARG A 74 4.062 -18.808 3.284 1.00 0.00 N ATOM 1141 NH2 ARG A 74 4.487 -20.919 2.492 1.00 0.00 N ATOM 0 H ARG A 74 6.845 -17.079 7.543 1.00 0.00 H new ATOM 0 HA ARG A 74 9.329 -17.888 7.109 1.00 0.00 H new ATOM 0 HB2 ARG A 74 8.333 -19.065 4.983 1.00 0.00 H new ATOM 0 HB3 ARG A 74 7.709 -19.457 6.573 1.00 0.00 H new ATOM 0 HG2 ARG A 74 6.081 -17.351 5.865 1.00 0.00 H new ATOM 0 HG3 ARG A 74 6.388 -18.086 4.304 1.00 0.00 H new ATOM 0 HD2 ARG A 74 5.698 -19.915 6.584 1.00 0.00 H new ATOM 0 HD3 ARG A 74 4.411 -18.922 5.928 1.00 0.00 H new ATOM 0 HE ARG A 74 5.615 -21.245 4.685 1.00 0.00 H new ATOM 0 HH11 ARG A 74 4.140 -18.108 4.022 1.00 0.00 H new ATOM 0 HH12 ARG A 74 3.579 -18.582 2.415 1.00 0.00 H new ATOM 0 HH21 ARG A 74 4.893 -21.846 2.620 1.00 0.00 H new ATOM 0 HH22 ARG A 74 4.003 -20.689 1.624 1.00 0.00 H new ATOM 1155 N GLU A 75 8.502 -15.936 4.572 1.00 0.00 N ATOM 1156 CA GLU A 75 9.050 -15.143 3.478 1.00 0.00 C ATOM 1157 C GLU A 75 10.189 -14.254 3.968 1.00 0.00 C ATOM 1158 O GLU A 75 10.056 -13.547 4.967 1.00 0.00 O ATOM 1159 CB GLU A 75 7.955 -14.283 2.843 1.00 0.00 C ATOM 1160 CG GLU A 75 7.197 -14.987 1.730 1.00 0.00 C ATOM 1161 CD GLU A 75 8.105 -15.447 0.606 1.00 0.00 C ATOM 1162 OE1 GLU A 75 8.837 -14.601 0.050 1.00 0.00 O ATOM 1163 OE2 GLU A 75 8.084 -16.653 0.282 1.00 0.00 O ATOM 0 H GLU A 75 7.496 -15.834 4.704 1.00 0.00 H new ATOM 0 HA GLU A 75 9.444 -15.829 2.728 1.00 0.00 H new ATOM 0 HB2 GLU A 75 7.249 -13.979 3.616 1.00 0.00 H new ATOM 0 HB3 GLU A 75 8.404 -13.373 2.446 1.00 0.00 H new ATOM 0 HG2 GLU A 75 6.671 -15.848 2.142 1.00 0.00 H new ATOM 0 HG3 GLU A 75 6.440 -14.313 1.328 1.00 0.00 H new ATOM 1170 N LYS A 76 11.311 -14.296 3.258 1.00 0.00 N ATOM 1171 CA LYS A 76 12.475 -13.495 3.617 1.00 0.00 C ATOM 1172 C LYS A 76 13.254 -13.078 2.374 1.00 0.00 C ATOM 1173 O LYS A 76 12.963 -13.530 1.267 1.00 0.00 O ATOM 1174 CB LYS A 76 13.387 -14.279 4.564 1.00 0.00 C ATOM 1175 CG LYS A 76 13.034 -14.106 6.031 1.00 0.00 C ATOM 1176 CD LYS A 76 13.517 -12.769 6.567 1.00 0.00 C ATOM 1177 CE LYS A 76 13.205 -12.616 8.047 1.00 0.00 C ATOM 1178 NZ LYS A 76 14.263 -13.221 8.903 1.00 0.00 N ATOM 0 H LYS A 76 11.439 -14.877 2.430 1.00 0.00 H new ATOM 0 HA LYS A 76 12.123 -12.595 4.122 1.00 0.00 H new ATOM 0 HB2 LYS A 76 13.337 -15.338 4.309 1.00 0.00 H new ATOM 0 HB3 LYS A 76 14.418 -13.962 4.407 1.00 0.00 H new ATOM 0 HG2 LYS A 76 11.954 -14.181 6.158 1.00 0.00 H new ATOM 0 HG3 LYS A 76 13.480 -14.914 6.611 1.00 0.00 H new ATOM 0 HD2 LYS A 76 14.592 -12.680 6.410 1.00 0.00 H new ATOM 0 HD3 LYS A 76 13.045 -11.960 6.009 1.00 0.00 H new ATOM 0 HE2 LYS A 76 13.103 -11.558 8.289 1.00 0.00 H new ATOM 0 HE3 LYS A 76 12.247 -13.087 8.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 14.013 -13.096 9.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 14.343 -14.236 8.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 15.173 -12.754 8.712 1.00 0.00 H new ATOM 1192 N SER A 77 14.247 -12.215 2.565 1.00 0.00 N ATOM 1193 CA SER A 77 15.067 -11.735 1.458 1.00 0.00 C ATOM 1194 C SER A 77 16.324 -11.042 1.974 1.00 0.00 C ATOM 1195 O SER A 77 16.486 -10.843 3.177 1.00 0.00 O ATOM 1196 CB SER A 77 14.264 -10.773 0.581 1.00 0.00 C ATOM 1197 OG SER A 77 14.855 -10.636 -0.700 1.00 0.00 O ATOM 0 H SER A 77 14.503 -11.834 3.476 1.00 0.00 H new ATOM 0 HA SER A 77 15.367 -12.596 0.860 1.00 0.00 H new ATOM 0 HB2 SER A 77 13.242 -11.138 0.476 1.00 0.00 H new ATOM 0 HB3 SER A 77 14.206 -9.798 1.064 1.00 0.00 H new ATOM 0 HG SER A 77 14.322 -10.017 -1.242 1.00 0.00 H new ATOM 1203 N GLN A 78 17.211 -10.677 1.053 1.00 0.00 N ATOM 1204 CA GLN A 78 18.454 -10.007 1.414 1.00 0.00 C ATOM 1205 C GLN A 78 18.466 -8.570 0.904 1.00 0.00 C ATOM 1206 O GLN A 78 18.480 -7.622 1.690 1.00 0.00 O ATOM 1207 CB GLN A 78 19.653 -10.771 0.849 1.00 0.00 C ATOM 1208 CG GLN A 78 20.916 -10.623 1.681 1.00 0.00 C ATOM 1209 CD GLN A 78 21.613 -9.296 1.452 1.00 0.00 C ATOM 1210 OE1 GLN A 78 21.241 -8.277 2.034 1.00 0.00 O ATOM 1211 NE2 GLN A 78 22.632 -9.302 0.600 1.00 0.00 N ATOM 0 H GLN A 78 17.091 -10.834 0.052 1.00 0.00 H new ATOM 0 HA GLN A 78 18.524 -9.988 2.502 1.00 0.00 H new ATOM 0 HB2 GLN A 78 19.398 -11.828 0.776 1.00 0.00 H new ATOM 0 HB3 GLN A 78 19.852 -10.421 -0.164 1.00 0.00 H new ATOM 0 HG2 GLN A 78 20.664 -10.719 2.737 1.00 0.00 H new ATOM 0 HG3 GLN A 78 21.602 -11.436 1.441 1.00 0.00 H new ATOM 0 HE21 GLN A 78 22.907 -10.170 0.140 1.00 0.00 H new ATOM 0 HE22 GLN A 78 23.140 -8.439 0.406 1.00 0.00 H new ATOM 1220 N ASP A 79 18.461 -8.416 -0.415 1.00 0.00 N ATOM 1221 CA ASP A 79 18.471 -7.094 -1.031 1.00 0.00 C ATOM 1222 C ASP A 79 17.523 -6.147 -0.300 1.00 0.00 C ATOM 1223 O ASP A 79 16.303 -6.255 -0.426 1.00 0.00 O ATOM 1224 CB ASP A 79 18.077 -7.191 -2.505 1.00 0.00 C ATOM 1225 CG ASP A 79 19.264 -7.477 -3.404 1.00 0.00 C ATOM 1226 OD1 ASP A 79 20.193 -8.180 -2.954 1.00 0.00 O ATOM 1227 OD2 ASP A 79 19.263 -6.999 -4.557 1.00 0.00 O ATOM 0 H ASP A 79 18.450 -9.190 -1.079 1.00 0.00 H new ATOM 0 HA ASP A 79 19.483 -6.695 -0.959 1.00 0.00 H new ATOM 0 HB2 ASP A 79 17.334 -7.978 -2.628 1.00 0.00 H new ATOM 0 HB3 ASP A 79 17.607 -6.258 -2.815 1.00 0.00 H new ATOM 1232 N TRP A 80 18.092 -5.223 0.465 1.00 0.00 N ATOM 1233 CA TRP A 80 17.298 -4.258 1.217 1.00 0.00 C ATOM 1234 C TRP A 80 18.145 -3.059 1.629 1.00 0.00 C ATOM 1235 O TRP A 80 19.363 -3.059 1.458 1.00 0.00 O ATOM 1236 CB TRP A 80 16.693 -4.921 2.456 1.00 0.00 C ATOM 1237 CG TRP A 80 15.492 -5.765 2.151 1.00 0.00 C ATOM 1238 CD1 TRP A 80 15.283 -7.060 2.532 1.00 0.00 C ATOM 1239 CD2 TRP A 80 14.338 -5.374 1.400 1.00 0.00 C ATOM 1240 NE1 TRP A 80 14.067 -7.497 2.063 1.00 0.00 N ATOM 1241 CE2 TRP A 80 13.468 -6.481 1.367 1.00 0.00 C ATOM 1242 CE3 TRP A 80 13.953 -4.196 0.755 1.00 0.00 C ATOM 1243 CZ2 TRP A 80 12.239 -6.443 0.712 1.00 0.00 C ATOM 1244 CZ3 TRP A 80 12.734 -4.159 0.106 1.00 0.00 C ATOM 1245 CH2 TRP A 80 11.888 -5.277 0.089 1.00 0.00 C ATOM 0 H TRP A 80 19.100 -5.121 0.581 1.00 0.00 H new ATOM 0 HA TRP A 80 16.493 -3.905 0.572 1.00 0.00 H new ATOM 0 HB2 TRP A 80 17.451 -5.540 2.935 1.00 0.00 H new ATOM 0 HB3 TRP A 80 16.413 -4.149 3.173 1.00 0.00 H new ATOM 0 HD1 TRP A 80 15.972 -7.653 3.116 1.00 0.00 H new ATOM 0 HE1 TRP A 80 13.675 -8.427 2.210 1.00 0.00 H new ATOM 0 HE3 TRP A 80 14.597 -3.329 0.764 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 11.587 -7.304 0.697 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 12.428 -3.254 -0.397 1.00 0.00 H new ATOM 0 HH2 TRP A 80 10.941 -5.216 -0.426 1.00 0.00 H new ATOM 1256 N GLY A 81 17.491 -2.037 2.174 1.00 0.00 N ATOM 1257 CA GLY A 81 18.201 -0.846 2.602 1.00 0.00 C ATOM 1258 C GLY A 81 18.534 -0.870 4.080 1.00 0.00 C ATOM 1259 O GLY A 81 19.573 -0.359 4.497 1.00 0.00 O ATOM 0 H GLY A 81 16.483 -2.013 2.326 1.00 0.00 H new ATOM 0 HA2 GLY A 81 19.122 -0.749 2.027 1.00 0.00 H new ATOM 0 HA3 GLY A 81 17.595 0.033 2.383 1.00 0.00 H new ATOM 1263 N SER A 82 17.650 -1.464 4.876 1.00 0.00 N ATOM 1264 CA SER A 82 17.853 -1.547 6.317 1.00 0.00 C ATOM 1265 C SER A 82 17.555 -2.954 6.828 1.00 0.00 C ATOM 1266 O SER A 82 16.439 -3.452 6.689 1.00 0.00 O ATOM 1267 CB SER A 82 16.965 -0.532 7.038 1.00 0.00 C ATOM 1268 OG SER A 82 17.251 0.789 6.613 1.00 0.00 O ATOM 0 H SER A 82 16.786 -1.895 4.547 1.00 0.00 H new ATOM 0 HA SER A 82 18.898 -1.317 6.525 1.00 0.00 H new ATOM 0 HB2 SER A 82 15.917 -0.760 6.846 1.00 0.00 H new ATOM 0 HB3 SER A 82 17.116 -0.612 8.114 1.00 0.00 H new ATOM 0 HG SER A 82 16.669 1.419 7.088 1.00 0.00 H new ATOM 1274 N ALA A 83 18.563 -3.588 7.418 1.00 0.00 N ATOM 1275 CA ALA A 83 18.410 -4.936 7.951 1.00 0.00 C ATOM 1276 C ALA A 83 17.442 -4.954 9.129 1.00 0.00 C ATOM 1277 O ALA A 83 16.741 -5.940 9.354 1.00 0.00 O ATOM 1278 CB ALA A 83 19.762 -5.495 8.368 1.00 0.00 C ATOM 0 H ALA A 83 19.494 -3.190 7.539 1.00 0.00 H new ATOM 0 HA ALA A 83 17.995 -5.566 7.164 1.00 0.00 H new ATOM 0 HB1 ALA A 83 19.633 -6.502 8.764 1.00 0.00 H new ATOM 0 HB2 ALA A 83 20.425 -5.528 7.503 1.00 0.00 H new ATOM 0 HB3 ALA A 83 20.199 -4.856 9.136 1.00 0.00 H new ATOM 1284 N GLY A 84 17.408 -3.856 9.878 1.00 0.00 N ATOM 1285 CA GLY A 84 16.523 -3.767 11.025 1.00 0.00 C ATOM 1286 C GLY A 84 15.186 -4.436 10.778 1.00 0.00 C ATOM 1287 O GLY A 84 14.556 -4.945 11.707 1.00 0.00 O ATOM 0 H GLY A 84 17.978 -3.026 9.711 1.00 0.00 H new ATOM 0 HA2 GLY A 84 17.003 -4.229 11.887 1.00 0.00 H new ATOM 0 HA3 GLY A 84 16.361 -2.718 11.274 1.00 0.00 H new ATOM 1291 N LEU A 85 14.748 -4.436 9.523 1.00 0.00 N ATOM 1292 CA LEU A 85 13.475 -5.046 9.156 1.00 0.00 C ATOM 1293 C LEU A 85 13.314 -6.410 9.821 1.00 0.00 C ATOM 1294 O LEU A 85 14.292 -7.029 10.237 1.00 0.00 O ATOM 1295 CB LEU A 85 13.376 -5.192 7.637 1.00 0.00 C ATOM 1296 CG LEU A 85 13.499 -3.899 6.830 1.00 0.00 C ATOM 1297 CD1 LEU A 85 13.866 -4.205 5.385 1.00 0.00 C ATOM 1298 CD2 LEU A 85 12.204 -3.103 6.896 1.00 0.00 C ATOM 0 H LEU A 85 15.256 -4.020 8.743 1.00 0.00 H new ATOM 0 HA LEU A 85 12.674 -4.395 9.505 1.00 0.00 H new ATOM 0 HB2 LEU A 85 14.155 -5.879 7.306 1.00 0.00 H new ATOM 0 HB3 LEU A 85 12.419 -5.656 7.398 1.00 0.00 H new ATOM 0 HG LEU A 85 14.295 -3.295 7.266 1.00 0.00 H new ATOM 0 HD11 LEU A 85 13.949 -3.273 4.826 1.00 0.00 H new ATOM 0 HD12 LEU A 85 14.820 -4.732 5.356 1.00 0.00 H new ATOM 0 HD13 LEU A 85 13.092 -4.829 4.937 1.00 0.00 H new ATOM 0 HD21 LEU A 85 12.310 -2.186 6.316 1.00 0.00 H new ATOM 0 HD22 LEU A 85 11.389 -3.699 6.486 1.00 0.00 H new ATOM 0 HD23 LEU A 85 11.984 -2.852 7.934 1.00 0.00 H new ATOM 1310 N GLY A 86 12.071 -6.874 9.915 1.00 0.00 N ATOM 1311 CA GLY A 86 11.805 -8.162 10.528 1.00 0.00 C ATOM 1312 C GLY A 86 10.500 -8.771 10.052 1.00 0.00 C ATOM 1313 O GLY A 86 9.504 -8.762 10.773 1.00 0.00 O ATOM 0 H GLY A 86 11.244 -6.381 9.578 1.00 0.00 H new ATOM 0 HA2 GLY A 86 12.625 -8.844 10.303 1.00 0.00 H new ATOM 0 HA3 GLY A 86 11.775 -8.046 11.611 1.00 0.00 H new ATOM 1317 N GLY A 87 10.506 -9.301 8.833 1.00 0.00 N ATOM 1318 CA GLY A 87 9.308 -9.908 8.282 1.00 0.00 C ATOM 1319 C GLY A 87 9.000 -9.416 6.882 1.00 0.00 C ATOM 1320 O GLY A 87 8.643 -8.254 6.689 1.00 0.00 O ATOM 0 H GLY A 87 11.319 -9.321 8.217 1.00 0.00 H new ATOM 0 HA2 GLY A 87 9.428 -10.991 8.265 1.00 0.00 H new ATOM 0 HA3 GLY A 87 8.462 -9.692 8.934 1.00 0.00 H new ATOM 1324 N VAL A 88 9.140 -10.302 5.901 1.00 0.00 N ATOM 1325 CA VAL A 88 8.875 -9.952 4.511 1.00 0.00 C ATOM 1326 C VAL A 88 7.673 -10.718 3.971 1.00 0.00 C ATOM 1327 O VAL A 88 7.461 -11.883 4.311 1.00 0.00 O ATOM 1328 CB VAL A 88 10.096 -10.238 3.617 1.00 0.00 C ATOM 1329 CG1 VAL A 88 9.765 -9.966 2.157 1.00 0.00 C ATOM 1330 CG2 VAL A 88 11.290 -9.408 4.065 1.00 0.00 C ATOM 0 H VAL A 88 9.436 -11.268 6.044 1.00 0.00 H new ATOM 0 HA VAL A 88 8.661 -8.883 4.489 1.00 0.00 H new ATOM 0 HB VAL A 88 10.357 -11.292 3.715 1.00 0.00 H new ATOM 0 HG11 VAL A 88 10.640 -10.174 1.541 1.00 0.00 H new ATOM 0 HG12 VAL A 88 8.941 -10.608 1.845 1.00 0.00 H new ATOM 0 HG13 VAL A 88 9.477 -8.922 2.038 1.00 0.00 H new ATOM 0 HG21 VAL A 88 12.144 -9.623 3.422 1.00 0.00 H new ATOM 0 HG22 VAL A 88 11.042 -8.349 3.998 1.00 0.00 H new ATOM 0 HG23 VAL A 88 11.540 -9.657 5.096 1.00 0.00 H new ATOM 1340 N PHE A 89 6.888 -10.058 3.126 1.00 0.00 N ATOM 1341 CA PHE A 89 5.706 -10.677 2.538 1.00 0.00 C ATOM 1342 C PHE A 89 5.640 -10.408 1.037 1.00 0.00 C ATOM 1343 O PHE A 89 6.238 -9.454 0.539 1.00 0.00 O ATOM 1344 CB PHE A 89 4.438 -10.154 3.218 1.00 0.00 C ATOM 1345 CG PHE A 89 4.280 -8.664 3.124 1.00 0.00 C ATOM 1346 CD1 PHE A 89 4.884 -7.830 4.051 1.00 0.00 C ATOM 1347 CD2 PHE A 89 3.527 -8.096 2.108 1.00 0.00 C ATOM 1348 CE1 PHE A 89 4.738 -6.458 3.968 1.00 0.00 C ATOM 1349 CE2 PHE A 89 3.379 -6.725 2.019 1.00 0.00 C ATOM 1350 CZ PHE A 89 3.986 -5.905 2.950 1.00 0.00 C ATOM 0 H PHE A 89 7.049 -9.094 2.833 1.00 0.00 H new ATOM 0 HA PHE A 89 5.776 -11.754 2.693 1.00 0.00 H new ATOM 0 HB2 PHE A 89 3.569 -10.633 2.767 1.00 0.00 H new ATOM 0 HB3 PHE A 89 4.452 -10.445 4.268 1.00 0.00 H new ATOM 0 HD1 PHE A 89 5.476 -8.257 4.847 1.00 0.00 H new ATOM 0 HD2 PHE A 89 3.050 -8.733 1.377 1.00 0.00 H new ATOM 0 HE1 PHE A 89 5.212 -5.819 4.699 1.00 0.00 H new ATOM 0 HE2 PHE A 89 2.790 -6.295 1.223 1.00 0.00 H new ATOM 0 HZ PHE A 89 3.873 -4.833 2.882 1.00 0.00 H new ATOM 1360 N LYS A 90 4.909 -11.256 0.322 1.00 0.00 N ATOM 1361 CA LYS A 90 4.763 -11.111 -1.122 1.00 0.00 C ATOM 1362 C LYS A 90 3.692 -10.078 -1.459 1.00 0.00 C ATOM 1363 O LYS A 90 2.898 -9.689 -0.603 1.00 0.00 O ATOM 1364 CB LYS A 90 4.406 -12.457 -1.757 1.00 0.00 C ATOM 1365 CG LYS A 90 5.616 -13.257 -2.205 1.00 0.00 C ATOM 1366 CD LYS A 90 5.209 -14.585 -2.823 1.00 0.00 C ATOM 1367 CE LYS A 90 6.289 -15.640 -2.639 1.00 0.00 C ATOM 1368 NZ LYS A 90 5.771 -17.014 -2.886 1.00 0.00 N ATOM 0 H LYS A 90 4.408 -12.051 0.719 1.00 0.00 H new ATOM 0 HA LYS A 90 5.715 -10.767 -1.526 1.00 0.00 H new ATOM 0 HB2 LYS A 90 3.835 -13.048 -1.040 1.00 0.00 H new ATOM 0 HB3 LYS A 90 3.757 -12.284 -2.616 1.00 0.00 H new ATOM 0 HG2 LYS A 90 6.188 -12.678 -2.929 1.00 0.00 H new ATOM 0 HG3 LYS A 90 6.271 -13.437 -1.352 1.00 0.00 H new ATOM 0 HD2 LYS A 90 4.281 -14.930 -2.368 1.00 0.00 H new ATOM 0 HD3 LYS A 90 5.011 -14.447 -3.886 1.00 0.00 H new ATOM 0 HE2 LYS A 90 7.116 -15.436 -3.320 1.00 0.00 H new ATOM 0 HE3 LYS A 90 6.687 -15.579 -1.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 6.538 -17.704 -2.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 4.999 -17.219 -2.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 5.414 -17.080 -3.861 1.00 0.00 H new ATOM 1382 N VAL A 91 3.675 -9.638 -2.714 1.00 0.00 N ATOM 1383 CA VAL A 91 2.700 -8.652 -3.165 1.00 0.00 C ATOM 1384 C VAL A 91 2.330 -8.875 -4.627 1.00 0.00 C ATOM 1385 O VAL A 91 3.194 -9.141 -5.462 1.00 0.00 O ATOM 1386 CB VAL A 91 3.233 -7.217 -2.995 1.00 0.00 C ATOM 1387 CG1 VAL A 91 3.161 -6.790 -1.537 1.00 0.00 C ATOM 1388 CG2 VAL A 91 4.657 -7.112 -3.519 1.00 0.00 C ATOM 0 H VAL A 91 4.325 -9.949 -3.436 1.00 0.00 H new ATOM 0 HA VAL A 91 1.812 -8.778 -2.545 1.00 0.00 H new ATOM 0 HB VAL A 91 2.605 -6.544 -3.578 1.00 0.00 H new ATOM 0 HG11 VAL A 91 3.542 -5.774 -1.436 1.00 0.00 H new ATOM 0 HG12 VAL A 91 2.126 -6.825 -1.198 1.00 0.00 H new ATOM 0 HG13 VAL A 91 3.764 -7.465 -0.930 1.00 0.00 H new ATOM 0 HG21 VAL A 91 5.017 -6.091 -3.391 1.00 0.00 H new ATOM 0 HG22 VAL A 91 5.300 -7.796 -2.965 1.00 0.00 H new ATOM 0 HG23 VAL A 91 4.676 -7.373 -4.577 1.00 0.00 H new ATOM 1398 N GLU A 92 1.040 -8.764 -4.928 1.00 0.00 N ATOM 1399 CA GLU A 92 0.556 -8.954 -6.291 1.00 0.00 C ATOM 1400 C GLU A 92 0.383 -7.613 -6.998 1.00 0.00 C ATOM 1401 O GLU A 92 -0.734 -7.212 -7.327 1.00 0.00 O ATOM 1402 CB GLU A 92 -0.772 -9.714 -6.282 1.00 0.00 C ATOM 1403 CG GLU A 92 -1.035 -10.495 -7.559 1.00 0.00 C ATOM 1404 CD GLU A 92 -1.952 -11.683 -7.338 1.00 0.00 C ATOM 1405 OE1 GLU A 92 -1.991 -12.200 -6.202 1.00 0.00 O ATOM 1406 OE2 GLU A 92 -2.630 -12.095 -8.302 1.00 0.00 O ATOM 0 H GLU A 92 0.312 -8.544 -4.248 1.00 0.00 H new ATOM 0 HA GLU A 92 1.297 -9.539 -6.835 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -0.781 -10.402 -5.437 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -1.585 -9.006 -6.125 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -1.479 -9.832 -8.301 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -0.087 -10.844 -7.969 1.00 0.00 H new ATOM 1413 N TRP A 93 1.495 -6.926 -7.230 1.00 0.00 N ATOM 1414 CA TRP A 93 1.467 -5.629 -7.898 1.00 0.00 C ATOM 1415 C TRP A 93 0.471 -5.634 -9.052 1.00 0.00 C ATOM 1416 O TRP A 93 0.657 -6.343 -10.042 1.00 0.00 O ATOM 1417 CB TRP A 93 2.861 -5.267 -8.412 1.00 0.00 C ATOM 1418 CG TRP A 93 3.800 -4.833 -7.327 1.00 0.00 C ATOM 1419 CD1 TRP A 93 4.686 -5.619 -6.647 1.00 0.00 C ATOM 1420 CD2 TRP A 93 3.945 -3.511 -6.798 1.00 0.00 C ATOM 1421 NE1 TRP A 93 5.372 -4.865 -5.726 1.00 0.00 N ATOM 1422 CE2 TRP A 93 4.937 -3.568 -5.799 1.00 0.00 C ATOM 1423 CE3 TRP A 93 3.335 -2.284 -7.071 1.00 0.00 C ATOM 1424 CZ2 TRP A 93 5.329 -2.446 -5.075 1.00 0.00 C ATOM 1425 CZ3 TRP A 93 3.725 -1.171 -6.351 1.00 0.00 C ATOM 1426 CH2 TRP A 93 4.715 -1.257 -5.363 1.00 0.00 C ATOM 0 H TRP A 93 2.427 -7.245 -6.966 1.00 0.00 H new ATOM 0 HA TRP A 93 1.150 -4.880 -7.172 1.00 0.00 H new ATOM 0 HB2 TRP A 93 3.286 -6.129 -8.927 1.00 0.00 H new ATOM 0 HB3 TRP A 93 2.773 -4.468 -9.148 1.00 0.00 H new ATOM 0 HD1 TRP A 93 4.827 -6.677 -6.809 1.00 0.00 H new ATOM 0 HE1 TRP A 93 6.089 -5.214 -5.091 1.00 0.00 H new ATOM 0 HE3 TRP A 93 2.572 -2.207 -7.831 1.00 0.00 H new ATOM 0 HZ2 TRP A 93 6.091 -2.511 -4.313 1.00 0.00 H new ATOM 0 HZ3 TRP A 93 3.259 -0.218 -6.553 1.00 0.00 H new ATOM 0 HH2 TRP A 93 4.999 -0.369 -4.819 1.00 0.00 H new ATOM 1437 N ILE A 94 -0.585 -4.838 -8.920 1.00 0.00 N ATOM 1438 CA ILE A 94 -1.609 -4.750 -9.954 1.00 0.00 C ATOM 1439 C ILE A 94 -1.199 -3.773 -11.051 1.00 0.00 C ATOM 1440 O ILE A 94 -0.991 -4.166 -12.200 1.00 0.00 O ATOM 1441 CB ILE A 94 -2.963 -4.309 -9.369 1.00 0.00 C ATOM 1442 CG1 ILE A 94 -3.358 -5.215 -8.201 1.00 0.00 C ATOM 1443 CG2 ILE A 94 -4.037 -4.326 -10.447 1.00 0.00 C ATOM 1444 CD1 ILE A 94 -2.677 -4.856 -6.900 1.00 0.00 C ATOM 0 H ILE A 94 -0.754 -4.245 -8.107 1.00 0.00 H new ATOM 0 HA ILE A 94 -1.715 -5.748 -10.380 1.00 0.00 H new ATOM 0 HB ILE A 94 -2.866 -3.289 -8.996 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -4.438 -5.165 -8.062 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -3.117 -6.247 -8.455 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -4.988 -4.012 -10.018 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -3.758 -3.643 -11.249 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -4.135 -5.335 -10.847 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -3.005 -5.540 -6.117 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -1.597 -4.934 -7.021 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -2.938 -3.835 -6.622 1.00 0.00 H new ATOM 1456 N ARG A 95 -1.085 -2.500 -10.690 1.00 0.00 N ATOM 1457 CA ARG A 95 -0.699 -1.466 -11.643 1.00 0.00 C ATOM 1458 C ARG A 95 0.654 -0.865 -11.276 1.00 0.00 C ATOM 1459 O ARG A 95 0.906 -0.536 -10.117 1.00 0.00 O ATOM 1460 CB ARG A 95 -1.761 -0.366 -11.693 1.00 0.00 C ATOM 1461 CG ARG A 95 -3.151 -0.876 -12.038 1.00 0.00 C ATOM 1462 CD ARG A 95 -3.243 -1.297 -13.496 1.00 0.00 C ATOM 1463 NE ARG A 95 -2.672 -2.623 -13.720 1.00 0.00 N ATOM 1464 CZ ARG A 95 -2.843 -3.317 -14.840 1.00 0.00 C ATOM 1465 NH1 ARG A 95 -3.564 -2.814 -15.833 1.00 0.00 N ATOM 1466 NH2 ARG A 95 -2.292 -4.517 -14.969 1.00 0.00 N ATOM 0 H ARG A 95 -1.254 -2.159 -9.744 1.00 0.00 H new ATOM 0 HA ARG A 95 -0.617 -1.927 -12.627 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -1.797 0.136 -10.726 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -1.464 0.381 -12.429 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -3.399 -1.722 -11.397 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -3.886 -0.097 -11.836 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -4.287 -1.294 -13.809 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -2.722 -0.568 -14.117 1.00 0.00 H new ATOM 0 HE ARG A 95 -2.112 -3.039 -12.976 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -3.989 -1.892 -15.738 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -3.693 -3.349 -16.691 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -1.737 -4.908 -14.208 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -2.424 -5.049 -15.829 1.00 0.00 H new ATOM 1480 N LYS A 96 1.523 -0.725 -12.272 1.00 0.00 N ATOM 1481 CA LYS A 96 2.851 -0.163 -12.056 1.00 0.00 C ATOM 1482 C LYS A 96 2.976 1.207 -12.714 1.00 0.00 C ATOM 1483 O LYS A 96 4.079 1.662 -13.015 1.00 0.00 O ATOM 1484 CB LYS A 96 3.922 -1.106 -12.608 1.00 0.00 C ATOM 1485 CG LYS A 96 4.201 -2.302 -11.714 1.00 0.00 C ATOM 1486 CD LYS A 96 4.866 -3.431 -12.483 1.00 0.00 C ATOM 1487 CE LYS A 96 5.401 -4.503 -11.546 1.00 0.00 C ATOM 1488 NZ LYS A 96 5.811 -5.730 -12.285 1.00 0.00 N ATOM 0 H LYS A 96 1.331 -0.993 -13.237 1.00 0.00 H new ATOM 0 HA LYS A 96 2.998 -0.045 -10.982 1.00 0.00 H new ATOM 0 HB2 LYS A 96 3.609 -1.462 -13.589 1.00 0.00 H new ATOM 0 HB3 LYS A 96 4.847 -0.547 -12.752 1.00 0.00 H new ATOM 0 HG2 LYS A 96 4.842 -1.997 -10.887 1.00 0.00 H new ATOM 0 HG3 LYS A 96 3.267 -2.658 -11.279 1.00 0.00 H new ATOM 0 HD2 LYS A 96 4.149 -3.875 -13.173 1.00 0.00 H new ATOM 0 HD3 LYS A 96 5.682 -3.032 -13.085 1.00 0.00 H new ATOM 0 HE2 LYS A 96 6.254 -4.110 -10.993 1.00 0.00 H new ATOM 0 HE3 LYS A 96 4.636 -4.759 -10.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 6.170 -6.437 -11.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 4.991 -6.120 -12.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 6.559 -5.491 -12.967 1.00 0.00 H new ATOM 1502 N GLU A 97 1.839 1.859 -12.934 1.00 0.00 N ATOM 1503 CA GLU A 97 1.823 3.178 -13.556 1.00 0.00 C ATOM 1504 C GLU A 97 1.965 4.276 -12.507 1.00 0.00 C ATOM 1505 O GLU A 97 1.857 4.022 -11.307 1.00 0.00 O ATOM 1506 CB GLU A 97 0.528 3.377 -14.347 1.00 0.00 C ATOM 1507 CG GLU A 97 0.660 4.369 -15.490 1.00 0.00 C ATOM 1508 CD GLU A 97 1.856 4.080 -16.377 1.00 0.00 C ATOM 1509 OE1 GLU A 97 2.128 2.890 -16.639 1.00 0.00 O ATOM 1510 OE2 GLU A 97 2.519 5.046 -16.809 1.00 0.00 O ATOM 0 H GLU A 97 0.917 1.496 -12.691 1.00 0.00 H new ATOM 0 HA GLU A 97 2.671 3.240 -14.238 1.00 0.00 H new ATOM 0 HB2 GLU A 97 0.205 2.416 -14.747 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -0.253 3.719 -13.668 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -0.248 4.347 -16.092 1.00 0.00 H new ATOM 0 HG3 GLU A 97 0.749 5.377 -15.084 1.00 0.00 H new ATOM 1517 N SER A 98 2.210 5.499 -12.968 1.00 0.00 N ATOM 1518 CA SER A 98 2.372 6.636 -12.070 1.00 0.00 C ATOM 1519 C SER A 98 1.154 7.553 -12.129 1.00 0.00 C ATOM 1520 O SER A 98 0.800 8.066 -13.192 1.00 0.00 O ATOM 1521 CB SER A 98 3.634 7.422 -12.431 1.00 0.00 C ATOM 1522 OG SER A 98 3.346 8.451 -13.362 1.00 0.00 O ATOM 0 H SER A 98 2.301 5.727 -13.958 1.00 0.00 H new ATOM 0 HA SER A 98 2.468 6.254 -11.054 1.00 0.00 H new ATOM 0 HB2 SER A 98 4.067 7.854 -11.529 1.00 0.00 H new ATOM 0 HB3 SER A 98 4.379 6.746 -12.850 1.00 0.00 H new ATOM 0 HG SER A 98 2.474 8.283 -13.776 1.00 0.00 H new ATOM 1528 N LEU A 99 0.518 7.756 -10.981 1.00 0.00 N ATOM 1529 CA LEU A 99 -0.661 8.611 -10.900 1.00 0.00 C ATOM 1530 C LEU A 99 -0.350 9.897 -10.141 1.00 0.00 C ATOM 1531 O LEU A 99 0.085 9.877 -8.990 1.00 0.00 O ATOM 1532 CB LEU A 99 -1.810 7.867 -10.217 1.00 0.00 C ATOM 1533 CG LEU A 99 -3.052 8.699 -9.896 1.00 0.00 C ATOM 1534 CD1 LEU A 99 -3.917 8.866 -11.134 1.00 0.00 C ATOM 1535 CD2 LEU A 99 -3.848 8.056 -8.769 1.00 0.00 C ATOM 0 H LEU A 99 0.799 7.340 -10.093 1.00 0.00 H new ATOM 0 HA LEU A 99 -0.959 8.873 -11.915 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -2.109 7.036 -10.856 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -1.436 7.436 -9.288 1.00 0.00 H new ATOM 0 HG LEU A 99 -2.729 9.687 -9.568 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -4.796 9.461 -10.886 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -3.345 9.371 -11.912 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -4.231 7.886 -11.493 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -4.728 8.662 -8.554 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -4.160 7.056 -9.069 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -3.226 7.990 -7.876 1.00 0.00 H new ATOM 1547 N PRO A 100 -0.580 11.043 -10.799 1.00 0.00 N ATOM 1548 CA PRO A 100 -0.334 12.360 -10.204 1.00 0.00 C ATOM 1549 C PRO A 100 -1.322 12.687 -9.090 1.00 0.00 C ATOM 1550 O PRO A 100 -2.523 12.453 -9.224 1.00 0.00 O ATOM 1551 CB PRO A 100 -0.518 13.321 -11.381 1.00 0.00 C ATOM 1552 CG PRO A 100 -1.425 12.602 -12.318 1.00 0.00 C ATOM 1553 CD PRO A 100 -1.098 11.142 -12.173 1.00 0.00 C ATOM 0 HA PRO A 100 0.649 12.419 -9.737 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -0.953 14.266 -11.056 1.00 0.00 H new ATOM 0 HB3 PRO A 100 0.436 13.555 -11.854 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -2.470 12.794 -12.074 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -1.271 12.936 -13.344 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -1.979 10.517 -12.316 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -0.357 10.821 -12.906 1.00 0.00 H new ATOM 1561 N PHE A 101 -0.809 13.229 -7.990 1.00 0.00 N ATOM 1562 CA PHE A 101 -1.647 13.588 -6.852 1.00 0.00 C ATOM 1563 C PHE A 101 -2.876 14.370 -7.307 1.00 0.00 C ATOM 1564 O PHE A 101 -3.980 14.157 -6.805 1.00 0.00 O ATOM 1565 CB PHE A 101 -0.847 14.414 -5.843 1.00 0.00 C ATOM 1566 CG PHE A 101 0.031 13.584 -4.951 1.00 0.00 C ATOM 1567 CD1 PHE A 101 -0.502 12.546 -4.203 1.00 0.00 C ATOM 1568 CD2 PHE A 101 1.389 13.840 -4.860 1.00 0.00 C ATOM 1569 CE1 PHE A 101 0.303 11.782 -3.381 1.00 0.00 C ATOM 1570 CE2 PHE A 101 2.200 13.079 -4.040 1.00 0.00 C ATOM 1571 CZ PHE A 101 1.657 12.047 -3.300 1.00 0.00 C ATOM 0 H PHE A 101 0.183 13.429 -7.863 1.00 0.00 H new ATOM 0 HA PHE A 101 -1.981 12.667 -6.373 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -0.229 15.132 -6.382 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -1.538 14.988 -5.226 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -1.559 12.332 -4.264 1.00 0.00 H new ATOM 0 HD2 PHE A 101 1.820 14.645 -5.437 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -0.126 10.978 -2.802 1.00 0.00 H new ATOM 0 HE2 PHE A 101 3.257 13.291 -3.978 1.00 0.00 H new ATOM 0 HZ PHE A 101 2.289 11.449 -2.660 1.00 0.00 H new ATOM 1581 N GLN A 102 -2.675 15.276 -8.258 1.00 0.00 N ATOM 1582 CA GLN A 102 -3.766 16.091 -8.780 1.00 0.00 C ATOM 1583 C GLN A 102 -5.030 15.257 -8.959 1.00 0.00 C ATOM 1584 O GLN A 102 -6.144 15.771 -8.856 1.00 0.00 O ATOM 1585 CB GLN A 102 -3.365 16.724 -10.113 1.00 0.00 C ATOM 1586 CG GLN A 102 -4.523 17.381 -10.847 1.00 0.00 C ATOM 1587 CD GLN A 102 -4.073 18.509 -11.755 1.00 0.00 C ATOM 1588 OE1 GLN A 102 -2.877 18.726 -11.949 1.00 0.00 O ATOM 1589 NE2 GLN A 102 -5.033 19.233 -12.319 1.00 0.00 N ATOM 0 H GLN A 102 -1.767 15.464 -8.683 1.00 0.00 H new ATOM 0 HA GLN A 102 -3.973 16.882 -8.059 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -2.590 17.469 -9.933 1.00 0.00 H new ATOM 0 HB3 GLN A 102 -2.928 15.957 -10.753 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -5.046 16.630 -11.439 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -5.237 17.768 -10.120 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -6.012 19.018 -12.130 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -4.791 20.004 -12.941 1.00 0.00 H new ATOM 1598 N PHE A 103 -4.850 13.968 -9.228 1.00 0.00 N ATOM 1599 CA PHE A 103 -5.977 13.064 -9.423 1.00 0.00 C ATOM 1600 C PHE A 103 -6.592 12.664 -8.085 1.00 0.00 C ATOM 1601 O PHE A 103 -7.813 12.616 -7.941 1.00 0.00 O ATOM 1602 CB PHE A 103 -5.529 11.814 -10.185 1.00 0.00 C ATOM 1603 CG PHE A 103 -5.500 11.999 -11.675 1.00 0.00 C ATOM 1604 CD1 PHE A 103 -4.785 13.040 -12.244 1.00 0.00 C ATOM 1605 CD2 PHE A 103 -6.190 11.131 -12.507 1.00 0.00 C ATOM 1606 CE1 PHE A 103 -4.755 13.212 -13.615 1.00 0.00 C ATOM 1607 CE2 PHE A 103 -6.164 11.298 -13.879 1.00 0.00 C ATOM 1608 CZ PHE A 103 -5.447 12.341 -14.433 1.00 0.00 C ATOM 0 H PHE A 103 -3.935 13.526 -9.316 1.00 0.00 H new ATOM 0 HA PHE A 103 -6.733 13.587 -10.008 1.00 0.00 H new ATOM 0 HB2 PHE A 103 -4.535 11.527 -9.843 1.00 0.00 H new ATOM 0 HB3 PHE A 103 -6.200 10.990 -9.942 1.00 0.00 H new ATOM 0 HD1 PHE A 103 -4.244 13.726 -11.608 1.00 0.00 H new ATOM 0 HD2 PHE A 103 -6.754 10.316 -12.079 1.00 0.00 H new ATOM 0 HE1 PHE A 103 -4.191 14.026 -14.046 1.00 0.00 H new ATOM 0 HE2 PHE A 103 -6.704 10.614 -14.517 1.00 0.00 H new ATOM 0 HZ PHE A 103 -5.428 12.475 -15.504 1.00 0.00 H new ATOM 1618 N ALA A 104 -5.736 12.378 -7.109 1.00 0.00 N ATOM 1619 CA ALA A 104 -6.194 11.984 -5.783 1.00 0.00 C ATOM 1620 C ALA A 104 -6.186 13.170 -4.825 1.00 0.00 C ATOM 1621 O ALA A 104 -6.145 12.997 -3.606 1.00 0.00 O ATOM 1622 CB ALA A 104 -5.329 10.857 -5.239 1.00 0.00 C ATOM 0 H ALA A 104 -4.722 12.412 -7.212 1.00 0.00 H new ATOM 0 HA ALA A 104 -7.221 11.629 -5.871 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -5.683 10.573 -4.248 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -5.390 9.997 -5.906 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -4.294 11.192 -5.173 1.00 0.00 H new ATOM 1628 N HIS A 105 -6.223 14.376 -5.383 1.00 0.00 N ATOM 1629 CA HIS A 105 -6.220 15.592 -4.577 1.00 0.00 C ATOM 1630 C HIS A 105 -7.587 15.827 -3.942 1.00 0.00 C ATOM 1631 O HIS A 105 -7.708 16.555 -2.956 1.00 0.00 O ATOM 1632 CB HIS A 105 -5.829 16.796 -5.434 1.00 0.00 C ATOM 1633 CG HIS A 105 -5.383 17.982 -4.634 1.00 0.00 C ATOM 1634 ND1 HIS A 105 -5.608 18.102 -3.279 1.00 0.00 N ATOM 1635 CD2 HIS A 105 -4.721 19.102 -5.005 1.00 0.00 C ATOM 1636 CE1 HIS A 105 -5.105 19.247 -2.851 1.00 0.00 C ATOM 1637 NE2 HIS A 105 -4.561 19.872 -3.879 1.00 0.00 N ATOM 0 H HIS A 105 -6.255 14.537 -6.390 1.00 0.00 H new ATOM 0 HA HIS A 105 -5.486 15.468 -3.781 1.00 0.00 H new ATOM 0 HB2 HIS A 105 -5.028 16.504 -6.112 1.00 0.00 H new ATOM 0 HB3 HIS A 105 -6.680 17.084 -6.051 1.00 0.00 H new ATOM 0 HD1 HIS A 105 -6.088 17.415 -2.698 1.00 0.00 H new ATOM 0 HD2 HIS A 105 -4.382 19.345 -6.001 1.00 0.00 H new ATOM 0 HE1 HIS A 105 -5.134 19.609 -1.834 1.00 0.00 H new ATOM 1645 N HIS A 106 -8.614 15.207 -4.514 1.00 0.00 N ATOM 1646 CA HIS A 106 -9.974 15.349 -4.004 1.00 0.00 C ATOM 1647 C HIS A 106 -10.272 14.288 -2.950 1.00 0.00 C ATOM 1648 O HIS A 106 -11.121 14.483 -2.079 1.00 0.00 O ATOM 1649 CB HIS A 106 -10.983 15.247 -5.148 1.00 0.00 C ATOM 1650 CG HIS A 106 -11.088 13.873 -5.733 1.00 0.00 C ATOM 1651 ND1 HIS A 106 -10.086 13.296 -6.483 1.00 0.00 N ATOM 1652 CD2 HIS A 106 -12.085 12.959 -5.673 1.00 0.00 C ATOM 1653 CE1 HIS A 106 -10.462 12.087 -6.861 1.00 0.00 C ATOM 1654 NE2 HIS A 106 -11.671 11.858 -6.382 1.00 0.00 N ATOM 0 H HIS A 106 -8.531 14.602 -5.331 1.00 0.00 H new ATOM 0 HA HIS A 106 -10.061 16.331 -3.540 1.00 0.00 H new ATOM 0 HB2 HIS A 106 -11.964 15.554 -4.785 1.00 0.00 H new ATOM 0 HB3 HIS A 106 -10.700 15.947 -5.934 1.00 0.00 H new ATOM 0 HD2 HIS A 106 -13.030 13.074 -5.163 1.00 0.00 H new ATOM 0 HE1 HIS A 106 -9.880 11.403 -7.460 1.00 0.00 H new ATOM 0 HE2 HIS A 106 -12.210 11.002 -6.517 1.00 0.00 H new ATOM 1662 N LEU A 107 -9.569 13.164 -3.034 1.00 0.00 N ATOM 1663 CA LEU A 107 -9.759 12.070 -2.088 1.00 0.00 C ATOM 1664 C LEU A 107 -9.088 12.381 -0.754 1.00 0.00 C ATOM 1665 O LEU A 107 -8.008 12.972 -0.713 1.00 0.00 O ATOM 1666 CB LEU A 107 -9.198 10.768 -2.663 1.00 0.00 C ATOM 1667 CG LEU A 107 -9.679 10.391 -4.064 1.00 0.00 C ATOM 1668 CD1 LEU A 107 -8.970 9.137 -4.552 1.00 0.00 C ATOM 1669 CD2 LEU A 107 -11.188 10.191 -4.074 1.00 0.00 C ATOM 0 H LEU A 107 -8.862 12.986 -3.748 1.00 0.00 H new ATOM 0 HA LEU A 107 -10.829 11.953 -1.917 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -8.111 10.841 -2.681 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -9.451 9.955 -1.983 1.00 0.00 H new ATOM 0 HG LEU A 107 -9.436 11.208 -4.743 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -9.325 8.884 -5.551 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -7.895 9.316 -4.583 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -9.181 8.312 -3.872 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -11.513 9.923 -5.079 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -11.454 9.392 -3.382 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -11.679 11.115 -3.768 1.00 0.00 H new ATOM 1681 N LEU A 108 -9.733 11.978 0.335 1.00 0.00 N ATOM 1682 CA LEU A 108 -9.198 12.211 1.672 1.00 0.00 C ATOM 1683 C LEU A 108 -9.461 11.015 2.581 1.00 0.00 C ATOM 1684 O LEU A 108 -10.083 10.036 2.170 1.00 0.00 O ATOM 1685 CB LEU A 108 -9.817 13.472 2.278 1.00 0.00 C ATOM 1686 CG LEU A 108 -9.909 14.686 1.352 1.00 0.00 C ATOM 1687 CD1 LEU A 108 -10.947 15.672 1.865 1.00 0.00 C ATOM 1688 CD2 LEU A 108 -8.551 15.360 1.218 1.00 0.00 C ATOM 0 H LEU A 108 -10.628 11.488 0.319 1.00 0.00 H new ATOM 0 HA LEU A 108 -8.120 12.348 1.586 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -10.821 13.229 2.626 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -9.235 13.753 3.156 1.00 0.00 H new ATOM 0 HG LEU A 108 -10.220 14.343 0.366 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -10.998 16.529 1.193 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -11.921 15.185 1.907 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -10.666 16.009 2.863 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -8.636 16.221 0.556 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -8.210 15.689 2.199 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -7.833 14.653 0.803 1.00 0.00 H new ATOM 1700 N ASN A 109 -8.985 11.103 3.819 1.00 0.00 N ATOM 1701 CA ASN A 109 -9.171 10.028 4.787 1.00 0.00 C ATOM 1702 C ASN A 109 -9.824 10.551 6.062 1.00 0.00 C ATOM 1703 O ASN A 109 -9.204 11.249 6.865 1.00 0.00 O ATOM 1704 CB ASN A 109 -7.828 9.375 5.119 1.00 0.00 C ATOM 1705 CG ASN A 109 -7.983 8.146 5.994 1.00 0.00 C ATOM 1706 OD1 ASN A 109 -7.315 8.013 7.020 1.00 0.00 O ATOM 1707 ND2 ASN A 109 -8.867 7.241 5.592 1.00 0.00 N ATOM 0 H ASN A 109 -8.468 11.907 4.175 1.00 0.00 H new ATOM 0 HA ASN A 109 -9.830 9.282 4.342 1.00 0.00 H new ATOM 0 HB2 ASN A 109 -7.323 9.097 4.194 1.00 0.00 H new ATOM 0 HB3 ASN A 109 -7.190 10.100 5.625 1.00 0.00 H new ATOM 0 HD21 ASN A 109 -9.015 6.394 6.140 1.00 0.00 H new ATOM 0 HD22 ASN A 109 -9.399 7.393 4.735 1.00 0.00 H new ATOM 1714 N PRO A 110 -11.106 10.207 6.255 1.00 0.00 N ATOM 1715 CA PRO A 110 -11.871 10.630 7.431 1.00 0.00 C ATOM 1716 C PRO A 110 -11.394 9.949 8.709 1.00 0.00 C ATOM 1717 O PRO A 110 -11.960 10.156 9.783 1.00 0.00 O ATOM 1718 CB PRO A 110 -13.302 10.200 7.098 1.00 0.00 C ATOM 1719 CG PRO A 110 -13.144 9.072 6.138 1.00 0.00 C ATOM 1720 CD PRO A 110 -11.907 9.378 5.339 1.00 0.00 C ATOM 0 HA PRO A 110 -11.766 11.698 7.622 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -13.840 9.886 7.993 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -13.869 11.019 6.656 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -13.044 8.123 6.664 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -14.016 8.986 5.490 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -11.378 8.469 5.053 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -12.145 9.911 4.418 1.00 0.00 H new ATOM 1728 N TRP A 111 -10.352 9.135 8.586 1.00 0.00 N ATOM 1729 CA TRP A 111 -9.799 8.423 9.733 1.00 0.00 C ATOM 1730 C TRP A 111 -8.555 9.129 10.263 1.00 0.00 C ATOM 1731 O TRP A 111 -8.145 8.910 11.402 1.00 0.00 O ATOM 1732 CB TRP A 111 -9.458 6.983 9.348 1.00 0.00 C ATOM 1733 CG TRP A 111 -10.667 6.119 9.149 1.00 0.00 C ATOM 1734 CD1 TRP A 111 -11.926 6.535 8.821 1.00 0.00 C ATOM 1735 CD2 TRP A 111 -10.730 4.694 9.266 1.00 0.00 C ATOM 1736 NE1 TRP A 111 -12.768 5.454 8.728 1.00 0.00 N ATOM 1737 CE2 TRP A 111 -12.059 4.313 8.995 1.00 0.00 C ATOM 1738 CE3 TRP A 111 -9.794 3.702 9.570 1.00 0.00 C ATOM 1739 CZ2 TRP A 111 -12.472 2.983 9.022 1.00 0.00 C ATOM 1740 CZ3 TRP A 111 -10.205 2.383 9.597 1.00 0.00 C ATOM 1741 CH2 TRP A 111 -11.534 2.033 9.323 1.00 0.00 C ATOM 0 H TRP A 111 -9.873 8.951 7.704 1.00 0.00 H new ATOM 0 HA TRP A 111 -10.552 8.413 10.521 1.00 0.00 H new ATOM 0 HB2 TRP A 111 -8.870 6.989 8.430 1.00 0.00 H new ATOM 0 HB3 TRP A 111 -8.831 6.545 10.125 1.00 0.00 H new ATOM 0 HD1 TRP A 111 -12.216 7.562 8.659 1.00 0.00 H new ATOM 0 HE1 TRP A 111 -13.761 5.494 8.497 1.00 0.00 H new ATOM 0 HE3 TRP A 111 -8.767 3.962 9.780 1.00 0.00 H new ATOM 0 HZ2 TRP A 111 -13.496 2.711 8.813 1.00 0.00 H new ATOM 0 HZ3 TRP A 111 -9.490 1.609 9.833 1.00 0.00 H new ATOM 0 HH2 TRP A 111 -11.824 0.993 9.350 1.00 0.00 H new ATOM 1752 N ASN A 112 -7.960 9.976 9.431 1.00 0.00 N ATOM 1753 CA ASN A 112 -6.763 10.714 9.817 1.00 0.00 C ATOM 1754 C ASN A 112 -7.020 12.217 9.801 1.00 0.00 C ATOM 1755 O ASN A 112 -6.390 12.957 9.046 1.00 0.00 O ATOM 1756 CB ASN A 112 -5.603 10.373 8.878 1.00 0.00 C ATOM 1757 CG ASN A 112 -4.348 11.161 9.200 1.00 0.00 C ATOM 1758 OD1 ASN A 112 -4.116 11.537 10.349 1.00 0.00 O ATOM 1759 ND2 ASN A 112 -3.532 11.415 8.184 1.00 0.00 N ATOM 0 H ASN A 112 -8.287 10.169 8.484 1.00 0.00 H new ATOM 0 HA ASN A 112 -6.498 10.420 10.833 1.00 0.00 H new ATOM 0 HB2 ASN A 112 -5.386 9.307 8.945 1.00 0.00 H new ATOM 0 HB3 ASN A 112 -5.901 10.574 7.849 1.00 0.00 H new ATOM 0 HD21 ASN A 112 -2.672 11.942 8.340 1.00 0.00 H new ATOM 0 HD22 ASN A 112 -3.765 11.084 7.248 1.00 0.00 H new ATOM 1766 N ASP A 113 -7.951 12.661 10.638 1.00 0.00 N ATOM 1767 CA ASP A 113 -8.291 14.077 10.722 1.00 0.00 C ATOM 1768 C ASP A 113 -8.684 14.623 9.353 1.00 0.00 C ATOM 1769 O ASP A 113 -8.224 15.688 8.944 1.00 0.00 O ATOM 1770 CB ASP A 113 -7.114 14.874 11.285 1.00 0.00 C ATOM 1771 CG ASP A 113 -6.350 14.108 12.346 1.00 0.00 C ATOM 1772 OD1 ASP A 113 -6.950 13.786 13.394 1.00 0.00 O ATOM 1773 OD2 ASP A 113 -5.153 13.828 12.129 1.00 0.00 O ATOM 0 H ASP A 113 -8.484 12.061 11.268 1.00 0.00 H new ATOM 0 HA ASP A 113 -9.143 14.182 11.393 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -6.436 15.138 10.473 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -7.482 15.808 11.710 1.00 0.00 H new ATOM 1778 N ASN A 114 -9.536 13.885 8.649 1.00 0.00 N ATOM 1779 CA ASN A 114 -9.989 14.295 7.325 1.00 0.00 C ATOM 1780 C ASN A 114 -8.825 14.822 6.491 1.00 0.00 C ATOM 1781 O ASN A 114 -8.952 15.828 5.793 1.00 0.00 O ATOM 1782 CB ASN A 114 -11.073 15.368 7.443 1.00 0.00 C ATOM 1783 CG ASN A 114 -12.332 14.847 8.108 1.00 0.00 C ATOM 1784 OD1 ASN A 114 -12.313 13.812 8.774 1.00 0.00 O ATOM 1785 ND2 ASN A 114 -13.436 15.564 7.930 1.00 0.00 N ATOM 0 H ASN A 114 -9.926 13.000 8.973 1.00 0.00 H new ATOM 0 HA ASN A 114 -10.406 13.421 6.824 1.00 0.00 H new ATOM 0 HB2 ASN A 114 -10.685 16.211 8.015 1.00 0.00 H new ATOM 0 HB3 ASN A 114 -11.319 15.743 6.450 1.00 0.00 H new ATOM 0 HD21 ASN A 114 -14.314 15.263 8.353 1.00 0.00 H new ATOM 0 HD22 ASN A 114 -13.406 16.416 7.370 1.00 0.00 H new ATOM 1792 N LYS A 115 -7.691 14.134 6.567 1.00 0.00 N ATOM 1793 CA LYS A 115 -6.504 14.529 5.818 1.00 0.00 C ATOM 1794 C LYS A 115 -6.449 13.818 4.470 1.00 0.00 C ATOM 1795 O LYS A 115 -6.881 12.673 4.342 1.00 0.00 O ATOM 1796 CB LYS A 115 -5.241 14.217 6.623 1.00 0.00 C ATOM 1797 CG LYS A 115 -4.909 15.269 7.667 1.00 0.00 C ATOM 1798 CD LYS A 115 -4.428 16.559 7.025 1.00 0.00 C ATOM 1799 CE LYS A 115 -4.329 17.685 8.043 1.00 0.00 C ATOM 1800 NZ LYS A 115 -3.658 18.888 7.477 1.00 0.00 N ATOM 0 H LYS A 115 -7.569 13.299 7.140 1.00 0.00 H new ATOM 0 HA LYS A 115 -6.558 15.603 5.640 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -5.364 13.253 7.117 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -4.399 14.119 5.938 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -5.791 15.471 8.275 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -4.140 14.887 8.338 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -3.453 16.396 6.565 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -5.113 16.847 6.228 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -5.328 17.954 8.385 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -3.776 17.338 8.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -3.610 19.632 8.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -2.695 18.638 7.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -4.199 19.235 6.660 1.00 0.00 H new ATOM 1814 N LYS A 116 -5.914 14.505 3.466 1.00 0.00 N ATOM 1815 CA LYS A 116 -5.800 13.939 2.127 1.00 0.00 C ATOM 1816 C LYS A 116 -5.112 12.578 2.168 1.00 0.00 C ATOM 1817 O LYS A 116 -4.238 12.338 3.001 1.00 0.00 O ATOM 1818 CB LYS A 116 -5.020 14.889 1.214 1.00 0.00 C ATOM 1819 CG LYS A 116 -4.531 14.236 -0.067 1.00 0.00 C ATOM 1820 CD LYS A 116 -4.640 15.181 -1.251 1.00 0.00 C ATOM 1821 CE LYS A 116 -3.406 16.060 -1.379 1.00 0.00 C ATOM 1822 NZ LYS A 116 -2.382 15.452 -2.273 1.00 0.00 N ATOM 0 H LYS A 116 -5.553 15.455 3.554 1.00 0.00 H new ATOM 0 HA LYS A 116 -6.806 13.806 1.729 1.00 0.00 H new ATOM 0 HB2 LYS A 116 -5.655 15.738 0.960 1.00 0.00 H new ATOM 0 HB3 LYS A 116 -4.164 15.284 1.761 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -3.494 13.923 0.056 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -5.114 13.336 -0.263 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -4.774 14.605 -2.166 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -5.524 15.808 -1.137 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -3.694 17.036 -1.769 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -2.974 16.226 -0.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -1.468 15.927 -2.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -2.286 14.440 -2.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -2.676 15.564 -3.264 1.00 0.00 H new ATOM 1836 N VAL A 117 -5.511 11.690 1.263 1.00 0.00 N ATOM 1837 CA VAL A 117 -4.931 10.354 1.194 1.00 0.00 C ATOM 1838 C VAL A 117 -3.408 10.414 1.228 1.00 0.00 C ATOM 1839 O VAL A 117 -2.765 9.677 1.975 1.00 0.00 O ATOM 1840 CB VAL A 117 -5.377 9.614 -0.080 1.00 0.00 C ATOM 1841 CG1 VAL A 117 -5.132 8.119 0.057 1.00 0.00 C ATOM 1842 CG2 VAL A 117 -6.842 9.897 -0.376 1.00 0.00 C ATOM 0 H VAL A 117 -6.234 11.872 0.567 1.00 0.00 H new ATOM 0 HA VAL A 117 -5.289 9.807 2.066 1.00 0.00 H new ATOM 0 HB VAL A 117 -4.784 9.980 -0.918 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -5.453 7.613 -0.853 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -4.069 7.938 0.217 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -5.698 7.734 0.905 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -7.140 9.366 -1.280 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -7.454 9.560 0.461 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -6.984 10.968 -0.521 1.00 0.00 H new ATOM 1852 N GLN A 118 -2.838 11.296 0.413 1.00 0.00 N ATOM 1853 CA GLN A 118 -1.390 11.451 0.350 1.00 0.00 C ATOM 1854 C GLN A 118 -0.810 11.719 1.735 1.00 0.00 C ATOM 1855 O GLN A 118 0.300 11.285 2.048 1.00 0.00 O ATOM 1856 CB GLN A 118 -1.019 12.591 -0.600 1.00 0.00 C ATOM 1857 CG GLN A 118 -0.857 13.934 0.095 1.00 0.00 C ATOM 1858 CD GLN A 118 0.494 14.085 0.766 1.00 0.00 C ATOM 1859 OE1 GLN A 118 1.264 13.128 0.859 1.00 0.00 O ATOM 1860 NE2 GLN A 118 0.789 15.290 1.238 1.00 0.00 N ATOM 0 H GLN A 118 -3.356 11.913 -0.212 1.00 0.00 H new ATOM 0 HA GLN A 118 -0.967 10.520 -0.027 1.00 0.00 H new ATOM 0 HB2 GLN A 118 -0.088 12.340 -1.109 1.00 0.00 H new ATOM 0 HB3 GLN A 118 -1.788 12.679 -1.367 1.00 0.00 H new ATOM 0 HG2 GLN A 118 -0.988 14.734 -0.634 1.00 0.00 H new ATOM 0 HG3 GLN A 118 -1.644 14.050 0.841 1.00 0.00 H new ATOM 0 HE21 GLN A 118 0.121 16.054 1.139 1.00 0.00 H new ATOM 0 HE22 GLN A 118 1.684 15.452 1.700 1.00 0.00 H new ATOM 1869 N ILE A 119 -1.567 12.434 2.560 1.00 0.00 N ATOM 1870 CA ILE A 119 -1.128 12.759 3.911 1.00 0.00 C ATOM 1871 C ILE A 119 -1.265 11.555 4.838 1.00 0.00 C ATOM 1872 O ILE A 119 -2.038 11.581 5.795 1.00 0.00 O ATOM 1873 CB ILE A 119 -1.929 13.936 4.496 1.00 0.00 C ATOM 1874 CG1 ILE A 119 -2.044 15.064 3.469 1.00 0.00 C ATOM 1875 CG2 ILE A 119 -1.273 14.441 5.773 1.00 0.00 C ATOM 1876 CD1 ILE A 119 -2.957 16.188 3.905 1.00 0.00 C ATOM 0 H ILE A 119 -2.488 12.799 2.316 1.00 0.00 H new ATOM 0 HA ILE A 119 -0.078 13.044 3.841 1.00 0.00 H new ATOM 0 HB ILE A 119 -2.933 13.587 4.739 1.00 0.00 H new ATOM 0 HG12 ILE A 119 -1.051 15.469 3.273 1.00 0.00 H new ATOM 0 HG13 ILE A 119 -2.411 14.652 2.529 1.00 0.00 H new ATOM 0 HG21 ILE A 119 -1.851 15.273 6.174 1.00 0.00 H new ATOM 0 HG22 ILE A 119 -1.238 13.636 6.507 1.00 0.00 H new ATOM 0 HG23 ILE A 119 -0.259 14.776 5.553 1.00 0.00 H new ATOM 0 HD11 ILE A 119 -2.990 16.952 3.128 1.00 0.00 H new ATOM 0 HD12 ILE A 119 -3.961 15.797 4.073 1.00 0.00 H new ATOM 0 HD13 ILE A 119 -2.579 16.626 4.829 1.00 0.00 H new ATOM 1888 N SER A 120 -0.508 10.502 4.546 1.00 0.00 N ATOM 1889 CA SER A 120 -0.547 9.287 5.352 1.00 0.00 C ATOM 1890 C SER A 120 0.828 8.627 5.406 1.00 0.00 C ATOM 1891 O SER A 120 1.430 8.337 4.372 1.00 0.00 O ATOM 1892 CB SER A 120 -1.574 8.306 4.784 1.00 0.00 C ATOM 1893 OG SER A 120 -2.862 8.547 5.324 1.00 0.00 O ATOM 0 H SER A 120 0.139 10.466 3.758 1.00 0.00 H new ATOM 0 HA SER A 120 -0.839 9.562 6.366 1.00 0.00 H new ATOM 0 HB2 SER A 120 -1.608 8.398 3.698 1.00 0.00 H new ATOM 0 HB3 SER A 120 -1.268 7.284 5.008 1.00 0.00 H new ATOM 0 HG SER A 120 -2.928 9.483 5.608 1.00 0.00 H new ATOM 1899 N ARG A 121 1.318 8.393 6.619 1.00 0.00 N ATOM 1900 CA ARG A 121 2.621 7.768 6.808 1.00 0.00 C ATOM 1901 C ARG A 121 2.572 6.286 6.449 1.00 0.00 C ATOM 1902 O ARG A 121 1.508 5.746 6.146 1.00 0.00 O ATOM 1903 CB ARG A 121 3.085 7.937 8.256 1.00 0.00 C ATOM 1904 CG ARG A 121 3.453 9.368 8.615 1.00 0.00 C ATOM 1905 CD ARG A 121 2.220 10.195 8.942 1.00 0.00 C ATOM 1906 NE ARG A 121 2.566 11.477 9.550 1.00 0.00 N ATOM 1907 CZ ARG A 121 2.835 11.628 10.842 1.00 0.00 C ATOM 1908 NH1 ARG A 121 2.799 10.583 11.657 1.00 0.00 N ATOM 1909 NH2 ARG A 121 3.141 12.827 11.321 1.00 0.00 N ATOM 0 H ARG A 121 0.832 8.627 7.485 1.00 0.00 H new ATOM 0 HA ARG A 121 3.332 8.261 6.145 1.00 0.00 H new ATOM 0 HB2 ARG A 121 2.294 7.596 8.924 1.00 0.00 H new ATOM 0 HB3 ARG A 121 3.948 7.294 8.429 1.00 0.00 H new ATOM 0 HG2 ARG A 121 4.129 9.367 9.470 1.00 0.00 H new ATOM 0 HG3 ARG A 121 3.990 9.826 7.784 1.00 0.00 H new ATOM 0 HD2 ARG A 121 1.648 10.369 8.031 1.00 0.00 H new ATOM 0 HD3 ARG A 121 1.577 9.634 9.620 1.00 0.00 H new ATOM 0 HE ARG A 121 2.603 12.301 8.950 1.00 0.00 H new ATOM 0 HH11 ARG A 121 2.564 9.660 11.292 1.00 0.00 H new ATOM 0 HH12 ARG A 121 3.006 10.702 12.649 1.00 0.00 H new ATOM 0 HH21 ARG A 121 3.170 13.633 10.697 1.00 0.00 H new ATOM 0 HH22 ARG A 121 3.347 12.942 12.313 1.00 0.00 H new ATOM 1923 N ASP A 122 3.729 5.635 6.484 1.00 0.00 N ATOM 1924 CA ASP A 122 3.819 4.216 6.162 1.00 0.00 C ATOM 1925 C ASP A 122 3.251 3.365 7.294 1.00 0.00 C ATOM 1926 O ASP A 122 3.841 3.271 8.370 1.00 0.00 O ATOM 1927 CB ASP A 122 5.272 3.822 5.892 1.00 0.00 C ATOM 1928 CG ASP A 122 6.072 3.652 7.168 1.00 0.00 C ATOM 1929 OD1 ASP A 122 6.485 4.676 7.750 1.00 0.00 O ATOM 1930 OD2 ASP A 122 6.287 2.493 7.583 1.00 0.00 O ATOM 0 H ASP A 122 4.619 6.068 6.732 1.00 0.00 H new ATOM 0 HA ASP A 122 3.229 4.035 5.263 1.00 0.00 H new ATOM 0 HB2 ASP A 122 5.294 2.891 5.326 1.00 0.00 H new ATOM 0 HB3 ASP A 122 5.742 4.584 5.270 1.00 0.00 H new ATOM 1935 N GLY A 123 2.100 2.748 7.044 1.00 0.00 N ATOM 1936 CA GLY A 123 1.471 1.915 8.052 1.00 0.00 C ATOM 1937 C GLY A 123 0.226 2.552 8.636 1.00 0.00 C ATOM 1938 O GLY A 123 -0.168 2.242 9.760 1.00 0.00 O ATOM 0 H GLY A 123 1.592 2.810 6.162 1.00 0.00 H new ATOM 0 HA2 GLY A 123 1.211 0.952 7.612 1.00 0.00 H new ATOM 0 HA3 GLY A 123 2.184 1.718 8.852 1.00 0.00 H new ATOM 1942 N GLN A 124 -0.394 3.445 7.872 1.00 0.00 N ATOM 1943 CA GLN A 124 -1.601 4.129 8.323 1.00 0.00 C ATOM 1944 C GLN A 124 -2.850 3.452 7.769 1.00 0.00 C ATOM 1945 O GLN A 124 -2.931 3.160 6.576 1.00 0.00 O ATOM 1946 CB GLN A 124 -1.570 5.598 7.895 1.00 0.00 C ATOM 1947 CG GLN A 124 -0.802 6.494 8.853 1.00 0.00 C ATOM 1948 CD GLN A 124 -1.352 6.446 10.265 1.00 0.00 C ATOM 1949 OE1 GLN A 124 -0.651 6.064 11.203 1.00 0.00 O ATOM 1950 NE2 GLN A 124 -2.611 6.835 10.424 1.00 0.00 N ATOM 0 H GLN A 124 -0.081 3.712 6.939 1.00 0.00 H new ATOM 0 HA GLN A 124 -1.634 4.075 9.411 1.00 0.00 H new ATOM 0 HB2 GLN A 124 -1.121 5.670 6.904 1.00 0.00 H new ATOM 0 HB3 GLN A 124 -2.593 5.964 7.809 1.00 0.00 H new ATOM 0 HG2 GLN A 124 0.246 6.193 8.865 1.00 0.00 H new ATOM 0 HG3 GLN A 124 -0.835 7.521 8.489 1.00 0.00 H new ATOM 0 HE21 GLN A 124 -3.155 7.144 9.618 1.00 0.00 H new ATOM 0 HE22 GLN A 124 -3.035 6.825 11.352 1.00 0.00 H new ATOM 1959 N GLU A 125 -3.820 3.204 8.643 1.00 0.00 N ATOM 1960 CA GLU A 125 -5.064 2.559 8.240 1.00 0.00 C ATOM 1961 C GLU A 125 -5.887 3.478 7.341 1.00 0.00 C ATOM 1962 O GLU A 125 -6.242 4.592 7.731 1.00 0.00 O ATOM 1963 CB GLU A 125 -5.883 2.166 9.471 1.00 0.00 C ATOM 1964 CG GLU A 125 -6.783 0.963 9.245 1.00 0.00 C ATOM 1965 CD GLU A 125 -7.037 0.177 10.517 1.00 0.00 C ATOM 1966 OE1 GLU A 125 -6.133 -0.570 10.944 1.00 0.00 O ATOM 1967 OE2 GLU A 125 -8.141 0.310 11.085 1.00 0.00 O ATOM 0 H GLU A 125 -3.769 3.440 9.634 1.00 0.00 H new ATOM 0 HA GLU A 125 -4.811 1.660 7.678 1.00 0.00 H new ATOM 0 HB2 GLU A 125 -5.203 1.951 10.295 1.00 0.00 H new ATOM 0 HB3 GLU A 125 -6.495 3.015 9.776 1.00 0.00 H new ATOM 0 HG2 GLU A 125 -7.735 1.298 8.833 1.00 0.00 H new ATOM 0 HG3 GLU A 125 -6.328 0.308 8.502 1.00 0.00 H new ATOM 1974 N LEU A 126 -6.186 3.005 6.137 1.00 0.00 N ATOM 1975 CA LEU A 126 -6.966 3.783 5.181 1.00 0.00 C ATOM 1976 C LEU A 126 -8.386 3.238 5.066 1.00 0.00 C ATOM 1977 O LEU A 126 -8.599 2.027 5.082 1.00 0.00 O ATOM 1978 CB LEU A 126 -6.289 3.769 3.809 1.00 0.00 C ATOM 1979 CG LEU A 126 -6.868 4.725 2.765 1.00 0.00 C ATOM 1980 CD1 LEU A 126 -6.714 6.168 3.220 1.00 0.00 C ATOM 1981 CD2 LEU A 126 -6.195 4.514 1.417 1.00 0.00 C ATOM 0 H LEU A 126 -5.900 2.086 5.799 1.00 0.00 H new ATOM 0 HA LEU A 126 -7.019 4.810 5.542 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -5.234 4.006 3.944 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -6.339 2.755 3.412 1.00 0.00 H new ATOM 0 HG LEU A 126 -7.931 4.512 2.655 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -7.131 6.834 2.465 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -7.243 6.311 4.162 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -5.657 6.395 3.359 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -6.620 5.203 0.687 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -5.125 4.700 1.511 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -6.357 3.488 1.086 1.00 0.00 H new ATOM 1993 N GLU A 127 -9.353 4.142 4.947 1.00 0.00 N ATOM 1994 CA GLU A 127 -10.753 3.752 4.827 1.00 0.00 C ATOM 1995 C GLU A 127 -11.009 3.046 3.499 1.00 0.00 C ATOM 1996 O GLU A 127 -10.491 3.433 2.451 1.00 0.00 O ATOM 1997 CB GLU A 127 -11.660 4.977 4.950 1.00 0.00 C ATOM 1998 CG GLU A 127 -13.069 4.648 5.413 1.00 0.00 C ATOM 1999 CD GLU A 127 -13.872 5.886 5.765 1.00 0.00 C ATOM 2000 OE1 GLU A 127 -13.956 6.799 4.918 1.00 0.00 O ATOM 2001 OE2 GLU A 127 -14.417 5.939 6.887 1.00 0.00 O ATOM 0 H GLU A 127 -9.193 5.149 4.931 1.00 0.00 H new ATOM 0 HA GLU A 127 -10.981 3.059 5.637 1.00 0.00 H new ATOM 0 HB2 GLU A 127 -11.212 5.681 5.651 1.00 0.00 H new ATOM 0 HB3 GLU A 127 -11.712 5.478 3.984 1.00 0.00 H new ATOM 0 HG2 GLU A 127 -13.586 4.096 4.628 1.00 0.00 H new ATOM 0 HG3 GLU A 127 -13.018 3.993 6.283 1.00 0.00 H new ATOM 2008 N PRO A 128 -11.829 1.985 3.541 1.00 0.00 N ATOM 2009 CA PRO A 128 -12.173 1.203 2.350 1.00 0.00 C ATOM 2010 C PRO A 128 -13.065 1.977 1.386 1.00 0.00 C ATOM 2011 O PRO A 128 -13.333 1.523 0.274 1.00 0.00 O ATOM 2012 CB PRO A 128 -12.923 -0.003 2.922 1.00 0.00 C ATOM 2013 CG PRO A 128 -13.479 0.477 4.218 1.00 0.00 C ATOM 2014 CD PRO A 128 -12.483 1.468 4.755 1.00 0.00 C ATOM 0 HA PRO A 128 -11.290 0.937 1.768 1.00 0.00 H new ATOM 0 HB2 PRO A 128 -13.715 -0.332 2.249 1.00 0.00 H new ATOM 0 HB3 PRO A 128 -12.255 -0.852 3.068 1.00 0.00 H new ATOM 0 HG2 PRO A 128 -14.454 0.942 4.076 1.00 0.00 H new ATOM 0 HG3 PRO A 128 -13.619 -0.351 4.913 1.00 0.00 H new ATOM 0 HD2 PRO A 128 -12.971 2.263 5.318 1.00 0.00 H new ATOM 0 HD3 PRO A 128 -11.767 0.995 5.427 1.00 0.00 H new ATOM 2022 N GLN A 129 -13.523 3.147 1.820 1.00 0.00 N ATOM 2023 CA GLN A 129 -14.386 3.983 0.994 1.00 0.00 C ATOM 2024 C GLN A 129 -13.559 4.889 0.087 1.00 0.00 C ATOM 2025 O GLN A 129 -13.858 5.039 -1.097 1.00 0.00 O ATOM 2026 CB GLN A 129 -15.308 4.828 1.875 1.00 0.00 C ATOM 2027 CG GLN A 129 -16.621 5.196 1.204 1.00 0.00 C ATOM 2028 CD GLN A 129 -17.446 6.165 2.028 1.00 0.00 C ATOM 2029 OE1 GLN A 129 -18.431 5.780 2.658 1.00 0.00 O ATOM 2030 NE2 GLN A 129 -17.047 7.432 2.028 1.00 0.00 N ATOM 0 H GLN A 129 -13.311 3.537 2.738 1.00 0.00 H new ATOM 0 HA GLN A 129 -14.993 3.329 0.368 1.00 0.00 H new ATOM 0 HB2 GLN A 129 -15.520 4.281 2.794 1.00 0.00 H new ATOM 0 HB3 GLN A 129 -14.787 5.742 2.161 1.00 0.00 H new ATOM 0 HG2 GLN A 129 -16.415 5.638 0.229 1.00 0.00 H new ATOM 0 HG3 GLN A 129 -17.201 4.290 1.027 1.00 0.00 H new ATOM 0 HE21 GLN A 129 -16.224 7.708 1.491 1.00 0.00 H new ATOM 0 HE22 GLN A 129 -17.563 8.129 2.565 1.00 0.00 H new ATOM 2039 N VAL A 130 -12.518 5.493 0.652 1.00 0.00 N ATOM 2040 CA VAL A 130 -11.648 6.384 -0.106 1.00 0.00 C ATOM 2041 C VAL A 130 -10.486 5.619 -0.729 1.00 0.00 C ATOM 2042 O VAL A 130 -9.913 6.047 -1.730 1.00 0.00 O ATOM 2043 CB VAL A 130 -11.088 7.511 0.783 1.00 0.00 C ATOM 2044 CG1 VAL A 130 -12.220 8.312 1.407 1.00 0.00 C ATOM 2045 CG2 VAL A 130 -10.174 6.938 1.855 1.00 0.00 C ATOM 0 H VAL A 130 -12.257 5.381 1.632 1.00 0.00 H new ATOM 0 HA VAL A 130 -12.256 6.823 -0.897 1.00 0.00 H new ATOM 0 HB VAL A 130 -10.501 8.185 0.159 1.00 0.00 H new ATOM 0 HG11 VAL A 130 -11.805 9.103 2.031 1.00 0.00 H new ATOM 0 HG12 VAL A 130 -12.830 8.754 0.619 1.00 0.00 H new ATOM 0 HG13 VAL A 130 -12.837 7.654 2.018 1.00 0.00 H new ATOM 0 HG21 VAL A 130 -9.787 7.747 2.474 1.00 0.00 H new ATOM 0 HG22 VAL A 130 -10.736 6.242 2.478 1.00 0.00 H new ATOM 0 HG23 VAL A 130 -9.343 6.414 1.383 1.00 0.00 H new ATOM 2055 N GLY A 131 -10.144 4.482 -0.130 1.00 0.00 N ATOM 2056 CA GLY A 131 -9.052 3.674 -0.641 1.00 0.00 C ATOM 2057 C GLY A 131 -9.413 2.959 -1.928 1.00 0.00 C ATOM 2058 O GLY A 131 -8.543 2.668 -2.748 1.00 0.00 O ATOM 0 H GLY A 131 -10.604 4.106 0.700 1.00 0.00 H new ATOM 0 HA2 GLY A 131 -8.183 4.310 -0.813 1.00 0.00 H new ATOM 0 HA3 GLY A 131 -8.765 2.939 0.111 1.00 0.00 H new ATOM 2062 N GLU A 132 -10.699 2.674 -2.105 1.00 0.00 N ATOM 2063 CA GLU A 132 -11.171 1.986 -3.301 1.00 0.00 C ATOM 2064 C GLU A 132 -11.239 2.943 -4.488 1.00 0.00 C ATOM 2065 O GLU A 132 -10.707 2.656 -5.559 1.00 0.00 O ATOM 2066 CB GLU A 132 -12.549 1.368 -3.050 1.00 0.00 C ATOM 2067 CG GLU A 132 -13.675 2.387 -3.009 1.00 0.00 C ATOM 2068 CD GLU A 132 -15.001 1.774 -2.604 1.00 0.00 C ATOM 2069 OE1 GLU A 132 -15.245 0.601 -2.954 1.00 0.00 O ATOM 2070 OE2 GLU A 132 -15.796 2.470 -1.937 1.00 0.00 O ATOM 0 H GLU A 132 -11.432 2.909 -1.436 1.00 0.00 H new ATOM 0 HA GLU A 132 -10.462 1.192 -3.537 1.00 0.00 H new ATOM 0 HB2 GLU A 132 -12.759 0.639 -3.832 1.00 0.00 H new ATOM 0 HB3 GLU A 132 -12.528 0.825 -2.105 1.00 0.00 H new ATOM 0 HG2 GLU A 132 -13.417 3.181 -2.308 1.00 0.00 H new ATOM 0 HG3 GLU A 132 -13.777 2.850 -3.991 1.00 0.00 H new ATOM 2077 N GLN A 133 -11.898 4.079 -4.287 1.00 0.00 N ATOM 2078 CA GLN A 133 -12.037 5.078 -5.340 1.00 0.00 C ATOM 2079 C GLN A 133 -10.686 5.694 -5.688 1.00 0.00 C ATOM 2080 O GLN A 133 -10.558 6.419 -6.675 1.00 0.00 O ATOM 2081 CB GLN A 133 -13.015 6.173 -4.909 1.00 0.00 C ATOM 2082 CG GLN A 133 -12.608 6.880 -3.627 1.00 0.00 C ATOM 2083 CD GLN A 133 -13.642 7.888 -3.163 1.00 0.00 C ATOM 2084 OE1 GLN A 133 -14.756 7.935 -3.685 1.00 0.00 O ATOM 2085 NE2 GLN A 133 -13.277 8.700 -2.178 1.00 0.00 N ATOM 0 H GLN A 133 -12.344 4.331 -3.405 1.00 0.00 H new ATOM 0 HA GLN A 133 -12.428 4.581 -6.228 1.00 0.00 H new ATOM 0 HB2 GLN A 133 -13.100 6.909 -5.709 1.00 0.00 H new ATOM 0 HB3 GLN A 133 -14.003 5.734 -4.774 1.00 0.00 H new ATOM 0 HG2 GLN A 133 -12.450 6.140 -2.843 1.00 0.00 H new ATOM 0 HG3 GLN A 133 -11.656 7.387 -3.783 1.00 0.00 H new ATOM 0 HE21 GLN A 133 -12.343 8.625 -1.775 1.00 0.00 H new ATOM 0 HE22 GLN A 133 -13.931 9.399 -1.824 1.00 0.00 H new ATOM 2094 N LEU A 134 -9.680 5.401 -4.871 1.00 0.00 N ATOM 2095 CA LEU A 134 -8.338 5.927 -5.092 1.00 0.00 C ATOM 2096 C LEU A 134 -7.578 5.073 -6.102 1.00 0.00 C ATOM 2097 O LEU A 134 -6.765 5.583 -6.875 1.00 0.00 O ATOM 2098 CB LEU A 134 -7.567 5.981 -3.772 1.00 0.00 C ATOM 2099 CG LEU A 134 -6.047 6.111 -3.886 1.00 0.00 C ATOM 2100 CD1 LEU A 134 -5.658 7.540 -4.228 1.00 0.00 C ATOM 2101 CD2 LEU A 134 -5.375 5.667 -2.595 1.00 0.00 C ATOM 0 H LEU A 134 -9.768 4.802 -4.050 1.00 0.00 H new ATOM 0 HA LEU A 134 -8.431 6.936 -5.494 1.00 0.00 H new ATOM 0 HB2 LEU A 134 -7.941 6.824 -3.190 1.00 0.00 H new ATOM 0 HB3 LEU A 134 -7.793 5.078 -3.205 1.00 0.00 H new ATOM 0 HG LEU A 134 -5.705 5.461 -4.691 1.00 0.00 H new ATOM 0 HD11 LEU A 134 -4.573 7.613 -4.305 1.00 0.00 H new ATOM 0 HD12 LEU A 134 -6.109 7.822 -5.179 1.00 0.00 H new ATOM 0 HD13 LEU A 134 -6.012 8.211 -3.445 1.00 0.00 H new ATOM 0 HD21 LEU A 134 -4.294 5.766 -2.695 1.00 0.00 H new ATOM 0 HD22 LEU A 134 -5.722 6.290 -1.771 1.00 0.00 H new ATOM 0 HD23 LEU A 134 -5.627 4.626 -2.393 1.00 0.00 H new ATOM 2113 N LEU A 135 -7.849 3.773 -6.093 1.00 0.00 N ATOM 2114 CA LEU A 135 -7.193 2.848 -7.011 1.00 0.00 C ATOM 2115 C LEU A 135 -7.764 2.982 -8.419 1.00 0.00 C ATOM 2116 O LEU A 135 -7.019 3.049 -9.396 1.00 0.00 O ATOM 2117 CB LEU A 135 -7.354 1.409 -6.517 1.00 0.00 C ATOM 2118 CG LEU A 135 -6.832 1.120 -5.110 1.00 0.00 C ATOM 2119 CD1 LEU A 135 -6.838 -0.376 -4.835 1.00 0.00 C ATOM 2120 CD2 LEU A 135 -5.433 1.691 -4.932 1.00 0.00 C ATOM 0 H LEU A 135 -8.519 3.335 -5.460 1.00 0.00 H new ATOM 0 HA LEU A 135 -6.132 3.098 -7.044 1.00 0.00 H new ATOM 0 HB2 LEU A 135 -8.413 1.151 -6.550 1.00 0.00 H new ATOM 0 HB3 LEU A 135 -6.843 0.747 -7.216 1.00 0.00 H new ATOM 0 HG LEU A 135 -7.494 1.603 -4.392 1.00 0.00 H new ATOM 0 HD11 LEU A 135 -6.463 -0.562 -3.829 1.00 0.00 H new ATOM 0 HD12 LEU A 135 -7.856 -0.757 -4.920 1.00 0.00 H new ATOM 0 HD13 LEU A 135 -6.200 -0.882 -5.559 1.00 0.00 H new ATOM 0 HD21 LEU A 135 -5.078 1.476 -3.924 1.00 0.00 H new ATOM 0 HD22 LEU A 135 -4.760 1.237 -5.659 1.00 0.00 H new ATOM 0 HD23 LEU A 135 -5.458 2.770 -5.085 1.00 0.00 H new ATOM 2132 N GLN A 136 -9.089 3.021 -8.514 1.00 0.00 N ATOM 2133 CA GLN A 136 -9.759 3.149 -9.802 1.00 0.00 C ATOM 2134 C GLN A 136 -9.154 4.285 -10.621 1.00 0.00 C ATOM 2135 O GLN A 136 -9.195 4.268 -11.852 1.00 0.00 O ATOM 2136 CB GLN A 136 -11.256 3.390 -9.601 1.00 0.00 C ATOM 2137 CG GLN A 136 -11.565 4.560 -8.681 1.00 0.00 C ATOM 2138 CD GLN A 136 -13.054 4.773 -8.487 1.00 0.00 C ATOM 2139 OE1 GLN A 136 -13.811 3.818 -8.307 1.00 0.00 O ATOM 2140 NE2 GLN A 136 -13.482 6.029 -8.522 1.00 0.00 N ATOM 0 H GLN A 136 -9.720 2.966 -7.714 1.00 0.00 H new ATOM 0 HA GLN A 136 -9.619 2.217 -10.349 1.00 0.00 H new ATOM 0 HB2 GLN A 136 -11.720 3.569 -10.571 1.00 0.00 H new ATOM 0 HB3 GLN A 136 -11.709 2.487 -9.192 1.00 0.00 H new ATOM 0 HG2 GLN A 136 -11.097 4.388 -7.712 1.00 0.00 H new ATOM 0 HG3 GLN A 136 -11.123 5.467 -9.092 1.00 0.00 H new ATOM 0 HE21 GLN A 136 -12.819 6.790 -8.674 1.00 0.00 H new ATOM 0 HE22 GLN A 136 -14.473 6.234 -8.397 1.00 0.00 H new ATOM 2149 N LEU A 137 -8.593 5.271 -9.930 1.00 0.00 N ATOM 2150 CA LEU A 137 -7.979 6.417 -10.592 1.00 0.00 C ATOM 2151 C LEU A 137 -6.980 5.962 -11.652 1.00 0.00 C ATOM 2152 O LEU A 137 -6.884 6.558 -12.724 1.00 0.00 O ATOM 2153 CB LEU A 137 -7.281 7.310 -9.566 1.00 0.00 C ATOM 2154 CG LEU A 137 -8.193 8.186 -8.707 1.00 0.00 C ATOM 2155 CD1 LEU A 137 -7.408 8.821 -7.570 1.00 0.00 C ATOM 2156 CD2 LEU A 137 -8.862 9.256 -9.559 1.00 0.00 C ATOM 0 H LEU A 137 -8.550 5.300 -8.911 1.00 0.00 H new ATOM 0 HA LEU A 137 -8.767 6.987 -11.083 1.00 0.00 H new ATOM 0 HB2 LEU A 137 -6.691 6.676 -8.904 1.00 0.00 H new ATOM 0 HB3 LEU A 137 -6.581 7.958 -10.094 1.00 0.00 H new ATOM 0 HG LEU A 137 -8.970 7.555 -8.276 1.00 0.00 H new ATOM 0 HD11 LEU A 137 -8.074 9.441 -6.970 1.00 0.00 H new ATOM 0 HD12 LEU A 137 -6.977 8.039 -6.944 1.00 0.00 H new ATOM 0 HD13 LEU A 137 -6.609 9.439 -7.980 1.00 0.00 H new ATOM 0 HD21 LEU A 137 -9.507 9.870 -8.931 1.00 0.00 H new ATOM 0 HD22 LEU A 137 -8.099 9.884 -10.019 1.00 0.00 H new ATOM 0 HD23 LEU A 137 -9.459 8.781 -10.337 1.00 0.00 H new ATOM 2168 N TRP A 138 -6.241 4.903 -11.344 1.00 0.00 N ATOM 2169 CA TRP A 138 -5.251 4.367 -12.270 1.00 0.00 C ATOM 2170 C TRP A 138 -5.895 3.998 -13.602 1.00 0.00 C ATOM 2171 O TRP A 138 -5.234 3.992 -14.640 1.00 0.00 O ATOM 2172 CB TRP A 138 -4.566 3.141 -11.664 1.00 0.00 C ATOM 2173 CG TRP A 138 -3.312 3.472 -10.913 1.00 0.00 C ATOM 2174 CD1 TRP A 138 -2.030 3.372 -11.374 1.00 0.00 C ATOM 2175 CD2 TRP A 138 -3.221 3.953 -9.568 1.00 0.00 C ATOM 2176 NE1 TRP A 138 -1.148 3.763 -10.396 1.00 0.00 N ATOM 2177 CE2 TRP A 138 -1.853 4.125 -9.279 1.00 0.00 C ATOM 2178 CE3 TRP A 138 -4.161 4.258 -8.580 1.00 0.00 C ATOM 2179 CZ2 TRP A 138 -1.406 4.587 -8.044 1.00 0.00 C ATOM 2180 CZ3 TRP A 138 -3.716 4.716 -7.355 1.00 0.00 C ATOM 2181 CH2 TRP A 138 -2.348 4.877 -7.095 1.00 0.00 C ATOM 0 H TRP A 138 -6.309 4.398 -10.460 1.00 0.00 H new ATOM 0 HA TRP A 138 -4.504 5.140 -12.451 1.00 0.00 H new ATOM 0 HB2 TRP A 138 -5.262 2.640 -10.991 1.00 0.00 H new ATOM 0 HB3 TRP A 138 -4.329 2.436 -12.460 1.00 0.00 H new ATOM 0 HD1 TRP A 138 -1.751 3.035 -12.362 1.00 0.00 H new ATOM 0 HE1 TRP A 138 -0.132 3.781 -10.487 1.00 0.00 H new ATOM 0 HE3 TRP A 138 -5.217 4.138 -8.771 1.00 0.00 H new ATOM 0 HZ2 TRP A 138 -0.352 4.712 -7.842 1.00 0.00 H new ATOM 0 HZ3 TRP A 138 -4.434 4.954 -6.584 1.00 0.00 H new ATOM 0 HH2 TRP A 138 -2.032 5.237 -6.127 1.00 0.00 H new ATOM 2192 N GLU A 139 -7.188 3.691 -13.565 1.00 0.00 N ATOM 2193 CA GLU A 139 -7.920 3.320 -14.770 1.00 0.00 C ATOM 2194 C GLU A 139 -8.210 4.547 -15.630 1.00 0.00 C ATOM 2195 O GLU A 139 -8.527 4.429 -16.813 1.00 0.00 O ATOM 2196 CB GLU A 139 -9.230 2.620 -14.403 1.00 0.00 C ATOM 2197 CG GLU A 139 -9.050 1.457 -13.443 1.00 0.00 C ATOM 2198 CD GLU A 139 -10.221 0.493 -13.468 1.00 0.00 C ATOM 2199 OE1 GLU A 139 -10.242 -0.391 -14.351 1.00 0.00 O ATOM 2200 OE2 GLU A 139 -11.115 0.622 -12.606 1.00 0.00 O ATOM 0 H GLU A 139 -7.750 3.692 -12.714 1.00 0.00 H new ATOM 0 HA GLU A 139 -7.298 2.633 -15.345 1.00 0.00 H new ATOM 0 HB2 GLU A 139 -9.908 3.347 -13.956 1.00 0.00 H new ATOM 0 HB3 GLU A 139 -9.706 2.258 -15.314 1.00 0.00 H new ATOM 0 HG2 GLU A 139 -8.136 0.920 -13.697 1.00 0.00 H new ATOM 0 HG3 GLU A 139 -8.923 1.842 -12.431 1.00 0.00 H new ATOM 2207 N ARG A 140 -8.098 5.726 -15.025 1.00 0.00 N ATOM 2208 CA ARG A 140 -8.350 6.975 -15.733 1.00 0.00 C ATOM 2209 C ARG A 140 -7.121 7.406 -16.528 1.00 0.00 C ATOM 2210 O ARG A 140 -7.215 8.231 -17.438 1.00 0.00 O ATOM 2211 CB ARG A 140 -8.744 8.075 -14.746 1.00 0.00 C ATOM 2212 CG ARG A 140 -10.164 7.943 -14.221 1.00 0.00 C ATOM 2213 CD ARG A 140 -10.553 9.135 -13.361 1.00 0.00 C ATOM 2214 NE ARG A 140 -11.032 10.257 -14.165 1.00 0.00 N ATOM 2215 CZ ARG A 140 -11.774 11.245 -13.678 1.00 0.00 C ATOM 2216 NH1 ARG A 140 -12.121 11.250 -12.399 1.00 0.00 N ATOM 2217 NH2 ARG A 140 -12.171 12.231 -14.473 1.00 0.00 N ATOM 0 H ARG A 140 -7.834 5.842 -14.046 1.00 0.00 H new ATOM 0 HA ARG A 140 -9.172 6.810 -16.429 1.00 0.00 H new ATOM 0 HB2 ARG A 140 -8.052 8.061 -13.904 1.00 0.00 H new ATOM 0 HB3 ARG A 140 -8.634 9.044 -15.233 1.00 0.00 H new ATOM 0 HG2 ARG A 140 -10.856 7.856 -15.059 1.00 0.00 H new ATOM 0 HG3 ARG A 140 -10.253 7.027 -13.637 1.00 0.00 H new ATOM 0 HD2 ARG A 140 -11.329 8.836 -12.657 1.00 0.00 H new ATOM 0 HD3 ARG A 140 -9.693 9.453 -12.771 1.00 0.00 H new ATOM 0 HE ARG A 140 -10.783 10.283 -15.154 1.00 0.00 H new ATOM 0 HH11 ARG A 140 -11.818 10.494 -11.785 1.00 0.00 H new ATOM 0 HH12 ARG A 140 -12.691 12.010 -12.028 1.00 0.00 H new ATOM 0 HH21 ARG A 140 -11.906 12.230 -15.458 1.00 0.00 H new ATOM 0 HH22 ARG A 140 -12.741 12.990 -14.099 1.00 0.00 H new ATOM 2231 N LEU A 141 -5.970 6.842 -16.180 1.00 0.00 N ATOM 2232 CA LEU A 141 -4.721 7.168 -16.860 1.00 0.00 C ATOM 2233 C LEU A 141 -4.722 6.628 -18.287 1.00 0.00 C ATOM 2234 O LEU A 141 -4.586 5.425 -18.506 1.00 0.00 O ATOM 2235 CB LEU A 141 -3.532 6.597 -16.087 1.00 0.00 C ATOM 2236 CG LEU A 141 -3.553 6.806 -14.572 1.00 0.00 C ATOM 2237 CD1 LEU A 141 -2.456 5.991 -13.905 1.00 0.00 C ATOM 2238 CD2 LEU A 141 -3.402 8.283 -14.236 1.00 0.00 C ATOM 0 H LEU A 141 -5.875 6.156 -15.431 1.00 0.00 H new ATOM 0 HA LEU A 141 -4.631 8.253 -16.902 1.00 0.00 H new ATOM 0 HB2 LEU A 141 -3.476 5.527 -16.285 1.00 0.00 H new ATOM 0 HB3 LEU A 141 -2.619 7.043 -16.482 1.00 0.00 H new ATOM 0 HG LEU A 141 -4.515 6.463 -14.190 1.00 0.00 H new ATOM 0 HD11 LEU A 141 -2.487 6.153 -12.827 1.00 0.00 H new ATOM 0 HD12 LEU A 141 -2.608 4.933 -14.118 1.00 0.00 H new ATOM 0 HD13 LEU A 141 -1.485 6.303 -14.291 1.00 0.00 H new ATOM 0 HD21 LEU A 141 -3.419 8.414 -13.154 1.00 0.00 H new ATOM 0 HD22 LEU A 141 -2.455 8.651 -14.631 1.00 0.00 H new ATOM 0 HD23 LEU A 141 -4.224 8.843 -14.682 1.00 0.00 H new TER 2250 LEU A 141