USER MOD reduce.3.24.130724 H: found=0, std=0, add=1095, rem=0, adj=40 USER MOD reduce.3.24.130724 removed 857 hydrogens (66 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 102 THR OG1 : rot 120:sc= -0.0264 USER MOD Set 1.2: A 111 ASN : amide:sc= -3.2! C(o=-3.2!,f=-2!) USER MOD Set 2.1: A 89 ASN : amide:sc= -1.43 K(o=-3.9,f=1.3) USER MOD Set 2.2: A 105 ASN : amide:sc= -2.52! K(o=-3.9!,f=1.3) USER MOD Set 3.1: A 73 THR OG1 : rot -69:sc= 0.76 USER MOD Set 3.2: A 75 THR OG1 : rot -47:sc= 0.471 USER MOD Set 4.1: A 31 LYS NZ :NH3+ -163:sc= 0.0707 (180deg=0) USER MOD Set 4.2: A 128 OLA O2 : rot 30:sc= 0.07 USER MOD Set 5.1: A 1 MET CE :methyl 169:sc= -0.109 (180deg=-0.0853) USER MOD Set 5.2: A 2 ASN : amide:sc= -0.851 K(o=-2.4,f=-7.6!) USER MOD Set 5.3: A 85 MET CE :methyl -158:sc= -0.171 (180deg=-0.734) USER MOD Set 5.4: A 91 MET CE :methyl 162:sc= -1.27 (180deg=-0.272) USER MOD Single : A 1 MET N :NH3+ -107:sc= -1.51 (180deg=-3.2) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 TYR OH : rot 141:sc= 0.0991 USER MOD Single : A 8 GLN : amide:sc= -8.01! K(o=-8!,f=-0.8) USER MOD Single : A 10 GLN : amide:sc= -0.357 K(o=-0.36,f=-1.9) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -8.63! K(o=-8.6!,f=-5.1) USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 MET CE :methyl -176:sc= -4.46! (180deg=-4.6) USER MOD Single : A 20 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.056) USER MOD Single : A 22 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 30 GLN : amide:sc= -1.44 K(o=-1.4,f=-0.49) USER MOD Single : A 33 LYS NZ :NH3+ -163:sc= -0.065 (180deg=-0.439) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 43 HIS : no HD1:sc= -0.433 X(o=-0.43,f=-0.042) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 162:sc= -0.0439 (180deg=-0.343) USER MOD Single : A 49 LYS NZ :NH3+ -142:sc= -1.94! (180deg=-4.13!) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot -42:sc= 0.967 USER MOD Single : A 57 LYS NZ :NH3+ -159:sc= -0.132 (180deg=-0.598) USER MOD Single : A 60 HIS : no HD1:sc= -0.0414 X(o=-0.041,f=-0.16) USER MOD Single : A 61 ASN : amide:sc= -3.42! C(o=-3.4!,f=-4!) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 CYS SG : rot 53:sc= 0.697 USER MOD Single : A 74 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 165:sc= -0.0571 (180deg=-0.316) USER MOD Single : A 80 LYS NZ :NH3+ -166:sc= -0.0472 (180deg=-0.28) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ -164:sc= -0.0717 (180deg=-0.357) USER MOD Single : A 93 THR OG1 : rot -150:sc= 0 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 LYS NZ :NH3+ -165:sc= -0.0394 (180deg=-0.263) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 THR OG1 : rot 180:sc= 0 USER MOD Single : A 112 THR OG1 : rot 74:sc= 0.465 USER MOD Single : A 113 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 114 THR OG1 : rot 180:sc= 0 USER MOD Single : A 120 TYR OH : rot 180:sc= 0 USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 SER OG : rot 180:sc= -0.0144 USER MOD Single : A 125 LYS NZ :NH3+ 153:sc= -1.53 (180deg=-2.19) USER MOD Single : A 129 OLA O2 : rot 140:sc= -0.0921 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 8.247 9.642 -3.175 1.00 4.30 N ATOM 2 CA MET A 1 8.780 10.781 -2.383 1.00 3.84 C ATOM 3 C MET A 1 10.289 10.659 -2.207 1.00 2.89 C ATOM 4 O MET A 1 11.020 11.639 -2.335 1.00 2.87 O ATOM 5 CB MET A 1 8.094 10.842 -1.016 1.00 4.46 C ATOM 6 CG MET A 1 8.131 9.530 -0.252 1.00 5.10 C ATOM 7 SD MET A 1 7.222 9.606 1.303 1.00 6.04 S ATOM 8 CE MET A 1 7.334 7.905 1.847 1.00 6.91 C ATOM 0 H1 MET A 1 7.990 9.972 -4.127 1.00 4.30 H new ATOM 0 H2 MET A 1 8.973 8.901 -3.250 1.00 4.30 H new ATOM 0 H3 MET A 1 7.405 9.255 -2.703 1.00 4.30 H new ATOM 0 HA MET A 1 8.571 11.702 -2.926 1.00 3.84 H new ATOM 0 HB2 MET A 1 8.572 11.615 -0.415 1.00 4.46 H new ATOM 0 HB3 MET A 1 7.055 11.142 -1.154 1.00 4.46 H new ATOM 0 HG2 MET A 1 7.712 8.739 -0.875 1.00 5.10 H new ATOM 0 HG3 MET A 1 9.168 9.261 -0.050 1.00 5.10 H new ATOM 0 HE1 MET A 1 6.993 7.830 2.879 1.00 6.91 H new ATOM 0 HE2 MET A 1 6.709 7.278 1.212 1.00 6.91 H new ATOM 0 HE3 MET A 1 8.369 7.570 1.782 1.00 6.91 H new ATOM 20 N ASN A 2 10.747 9.449 -1.910 1.00 2.46 N ATOM 21 CA ASN A 2 12.170 9.194 -1.723 1.00 1.86 C ATOM 22 C ASN A 2 12.732 8.364 -2.871 1.00 1.11 C ATOM 23 O ASN A 2 12.199 7.302 -3.195 1.00 1.62 O ATOM 24 CB ASN A 2 12.413 8.480 -0.393 1.00 2.52 C ATOM 25 CG ASN A 2 12.136 9.370 0.804 1.00 2.76 C ATOM 26 OD1 ASN A 2 11.265 10.239 0.759 1.00 3.46 O ATOM 27 ND2 ASN A 2 12.883 9.159 1.881 1.00 2.73 N ATOM 0 H ASN A 2 10.153 8.628 -1.793 1.00 2.46 H new ATOM 0 HA ASN A 2 12.685 10.155 -1.710 1.00 1.86 H new ATOM 0 HB2 ASN A 2 11.779 7.595 -0.338 1.00 2.52 H new ATOM 0 HB3 ASN A 2 13.446 8.135 -0.353 1.00 2.52 H new ATOM 0 HD21 ASN A 2 12.746 9.729 2.716 1.00 2.73 H new ATOM 0 HD22 ASN A 2 13.594 8.427 1.873 1.00 2.73 H new ATOM 32 N PHE A 3 13.807 8.866 -3.481 1.00 0.84 N ATOM 33 CA PHE A 3 14.473 8.190 -4.597 1.00 1.21 C ATOM 34 C PHE A 3 13.657 8.265 -5.887 1.00 1.09 C ATOM 35 O PHE A 3 14.226 8.359 -6.975 1.00 1.86 O ATOM 36 CB PHE A 3 14.773 6.726 -4.254 1.00 2.02 C ATOM 37 CG PHE A 3 15.615 6.560 -3.021 1.00 2.36 C ATOM 38 CD1 PHE A 3 16.993 6.693 -3.085 1.00 2.79 C ATOM 39 CD2 PHE A 3 15.031 6.269 -1.799 1.00 2.57 C ATOM 40 CE1 PHE A 3 17.772 6.539 -1.954 1.00 3.29 C ATOM 41 CE2 PHE A 3 15.804 6.116 -0.664 1.00 3.08 C ATOM 42 CZ PHE A 3 17.176 6.251 -0.741 1.00 3.40 C ATOM 0 H PHE A 3 14.240 9.751 -3.216 1.00 0.84 H new ATOM 0 HA PHE A 3 15.413 8.716 -4.765 1.00 1.21 H new ATOM 0 HB2 PHE A 3 13.832 6.193 -4.116 1.00 2.02 H new ATOM 0 HB3 PHE A 3 15.282 6.260 -5.098 1.00 2.02 H new ATOM 0 HD1 PHE A 3 17.464 6.920 -4.030 1.00 2.79 H new ATOM 0 HD2 PHE A 3 13.959 6.160 -1.733 1.00 2.57 H new ATOM 0 HE1 PHE A 3 18.845 6.644 -2.018 1.00 3.29 H new ATOM 0 HE2 PHE A 3 15.335 5.891 0.283 1.00 3.08 H new ATOM 0 HZ PHE A 3 17.782 6.132 0.145 1.00 3.40 H new ATOM 52 N SER A 4 12.333 8.229 -5.767 1.00 0.64 N ATOM 53 CA SER A 4 11.457 8.283 -6.934 1.00 0.56 C ATOM 54 C SER A 4 11.796 7.157 -7.907 1.00 0.52 C ATOM 55 O SER A 4 12.684 7.294 -8.749 1.00 0.75 O ATOM 56 CB SER A 4 11.581 9.640 -7.634 1.00 0.69 C ATOM 57 OG SER A 4 10.706 9.723 -8.746 1.00 1.53 O ATOM 0 H SER A 4 11.843 8.163 -4.875 1.00 0.64 H new ATOM 0 HA SER A 4 10.428 8.156 -6.598 1.00 0.56 H new ATOM 0 HB2 SER A 4 11.354 10.439 -6.928 1.00 0.69 H new ATOM 0 HB3 SER A 4 12.609 9.790 -7.964 1.00 0.69 H new ATOM 0 HG SER A 4 10.803 10.599 -9.174 1.00 1.53 H new ATOM 63 N GLY A 5 11.081 6.044 -7.783 1.00 0.43 N ATOM 64 CA GLY A 5 11.329 4.902 -8.649 1.00 0.45 C ATOM 65 C GLY A 5 10.212 3.880 -8.601 1.00 0.40 C ATOM 66 O GLY A 5 9.257 4.032 -7.843 1.00 0.54 O ATOM 0 H GLY A 5 10.335 5.911 -7.100 1.00 0.43 H new ATOM 0 HA2 GLY A 5 11.455 5.249 -9.675 1.00 0.45 H new ATOM 0 HA3 GLY A 5 12.265 4.426 -8.357 1.00 0.45 H new ATOM 70 N LYS A 6 10.335 2.828 -9.408 1.00 0.36 N ATOM 71 CA LYS A 6 9.319 1.781 -9.463 1.00 0.35 C ATOM 72 C LYS A 6 9.814 0.486 -8.820 1.00 0.30 C ATOM 73 O LYS A 6 10.901 0.000 -9.131 1.00 0.36 O ATOM 74 CB LYS A 6 8.912 1.518 -10.915 1.00 0.47 C ATOM 75 CG LYS A 6 7.706 0.604 -11.055 1.00 1.02 C ATOM 76 CD LYS A 6 7.333 0.387 -12.513 1.00 1.43 C ATOM 77 CE LYS A 6 8.351 -0.490 -13.226 1.00 1.75 C ATOM 78 NZ LYS A 6 8.001 -0.696 -14.657 1.00 2.38 N ATOM 0 H LYS A 6 11.128 2.679 -10.032 1.00 0.36 H new ATOM 0 HA LYS A 6 8.453 2.128 -8.900 1.00 0.35 H new ATOM 0 HB2 LYS A 6 8.694 2.469 -11.400 1.00 0.47 H new ATOM 0 HB3 LYS A 6 9.756 1.076 -11.445 1.00 0.47 H new ATOM 0 HG2 LYS A 6 7.921 -0.357 -10.587 1.00 1.02 H new ATOM 0 HG3 LYS A 6 6.858 1.035 -10.523 1.00 1.02 H new ATOM 0 HD2 LYS A 6 6.348 -0.076 -12.572 1.00 1.43 H new ATOM 0 HD3 LYS A 6 7.264 1.350 -13.019 1.00 1.43 H new ATOM 0 HE2 LYS A 6 9.337 -0.031 -13.156 1.00 1.75 H new ATOM 0 HE3 LYS A 6 8.412 -1.456 -12.725 1.00 1.75 H new ATOM 0 HZ1 LYS A 6 8.719 -1.299 -15.107 1.00 2.38 H new ATOM 0 HZ2 LYS A 6 7.071 -1.157 -14.724 1.00 2.38 H new ATOM 0 HZ3 LYS A 6 7.968 0.223 -15.142 1.00 2.38 H new ATOM 92 N TYR A 7 9.001 -0.063 -7.923 1.00 0.30 N ATOM 93 CA TYR A 7 9.333 -1.307 -7.233 1.00 0.29 C ATOM 94 C TYR A 7 8.302 -2.385 -7.567 1.00 0.30 C ATOM 95 O TYR A 7 7.138 -2.078 -7.823 1.00 0.42 O ATOM 96 CB TYR A 7 9.405 -1.071 -5.723 1.00 0.34 C ATOM 97 CG TYR A 7 10.488 -0.087 -5.323 1.00 0.49 C ATOM 98 CD1 TYR A 7 10.355 1.269 -5.591 1.00 0.77 C ATOM 99 CD2 TYR A 7 11.643 -0.519 -4.683 1.00 0.70 C ATOM 100 CE1 TYR A 7 11.343 2.168 -5.235 1.00 0.93 C ATOM 101 CE2 TYR A 7 12.635 0.374 -4.322 1.00 0.89 C ATOM 102 CZ TYR A 7 12.479 1.716 -4.601 1.00 0.91 C ATOM 103 OH TYR A 7 13.466 2.609 -4.246 1.00 1.13 O ATOM 0 H TYR A 7 8.102 0.336 -7.655 1.00 0.30 H new ATOM 0 HA TYR A 7 10.310 -1.651 -7.572 1.00 0.29 H new ATOM 0 HB2 TYR A 7 8.441 -0.702 -5.373 1.00 0.34 H new ATOM 0 HB3 TYR A 7 9.584 -2.022 -5.221 1.00 0.34 H new ATOM 0 HD1 TYR A 7 9.465 1.627 -6.086 1.00 0.77 H new ATOM 0 HD2 TYR A 7 11.768 -1.569 -4.464 1.00 0.70 H new ATOM 0 HE1 TYR A 7 11.225 3.219 -5.453 1.00 0.93 H new ATOM 0 HE2 TYR A 7 13.527 0.023 -3.824 1.00 0.89 H new ATOM 0 HH TYR A 7 13.828 2.365 -3.368 1.00 1.13 H new ATOM 113 N GLN A 8 8.731 -3.644 -7.562 1.00 0.31 N ATOM 114 CA GLN A 8 7.841 -4.755 -7.896 1.00 0.35 C ATOM 115 C GLN A 8 7.661 -5.716 -6.724 1.00 0.35 C ATOM 116 O GLN A 8 8.635 -6.194 -6.144 1.00 0.38 O ATOM 117 CB GLN A 8 8.395 -5.515 -9.107 1.00 0.44 C ATOM 118 CG GLN A 8 7.525 -6.680 -9.556 1.00 0.41 C ATOM 119 CD GLN A 8 6.387 -6.258 -10.468 1.00 0.92 C ATOM 120 OE1 GLN A 8 5.933 -7.034 -11.307 1.00 1.39 O ATOM 121 NE2 GLN A 8 5.921 -5.024 -10.314 1.00 1.23 N ATOM 0 H GLN A 8 9.685 -3.921 -7.332 1.00 0.31 H new ATOM 0 HA GLN A 8 6.863 -4.336 -8.133 1.00 0.35 H new ATOM 0 HB2 GLN A 8 8.510 -4.819 -9.938 1.00 0.44 H new ATOM 0 HB3 GLN A 8 9.389 -5.890 -8.864 1.00 0.44 H new ATOM 0 HG2 GLN A 8 8.146 -7.411 -10.074 1.00 0.41 H new ATOM 0 HG3 GLN A 8 7.113 -7.178 -8.678 1.00 0.41 H new ATOM 0 HE21 GLN A 8 6.325 -4.411 -9.606 1.00 1.23 H new ATOM 0 HE22 GLN A 8 5.159 -4.689 -10.904 1.00 1.23 H new ATOM 128 N VAL A 9 6.402 -5.998 -6.390 1.00 0.40 N ATOM 129 CA VAL A 9 6.082 -6.917 -5.301 1.00 0.45 C ATOM 130 C VAL A 9 6.335 -8.358 -5.737 1.00 0.52 C ATOM 131 O VAL A 9 5.698 -8.853 -6.666 1.00 0.67 O ATOM 132 CB VAL A 9 4.612 -6.775 -4.867 1.00 0.56 C ATOM 133 CG1 VAL A 9 4.323 -7.641 -3.651 1.00 1.18 C ATOM 134 CG2 VAL A 9 4.277 -5.317 -4.586 1.00 1.24 C ATOM 0 H VAL A 9 5.587 -5.602 -6.859 1.00 0.40 H new ATOM 0 HA VAL A 9 6.724 -6.666 -4.457 1.00 0.45 H new ATOM 0 HB VAL A 9 3.978 -7.119 -5.684 1.00 0.56 H new ATOM 0 HG11 VAL A 9 3.279 -7.525 -3.362 1.00 1.18 H new ATOM 0 HG12 VAL A 9 4.519 -8.686 -3.893 1.00 1.18 H new ATOM 0 HG13 VAL A 9 4.965 -7.334 -2.825 1.00 1.18 H new ATOM 0 HG21 VAL A 9 3.234 -5.236 -4.281 1.00 1.24 H new ATOM 0 HG22 VAL A 9 4.919 -4.943 -3.788 1.00 1.24 H new ATOM 0 HG23 VAL A 9 4.438 -4.726 -5.488 1.00 1.24 H new ATOM 138 N GLN A 10 7.263 -9.026 -5.060 1.00 0.50 N ATOM 139 CA GLN A 10 7.606 -10.403 -5.396 1.00 0.61 C ATOM 140 C GLN A 10 6.803 -11.412 -4.576 1.00 0.72 C ATOM 141 O GLN A 10 6.448 -12.479 -5.074 1.00 1.01 O ATOM 142 CB GLN A 10 9.102 -10.633 -5.193 1.00 0.71 C ATOM 143 CG GLN A 10 9.963 -9.915 -6.217 1.00 0.90 C ATOM 144 CD GLN A 10 9.657 -10.337 -7.642 1.00 1.52 C ATOM 145 OE1 GLN A 10 9.253 -11.472 -7.893 1.00 2.20 O ATOM 146 NE2 GLN A 10 9.846 -9.420 -8.584 1.00 2.11 N ATOM 0 H GLN A 10 7.790 -8.638 -4.278 1.00 0.50 H new ATOM 0 HA GLN A 10 7.351 -10.558 -6.444 1.00 0.61 H new ATOM 0 HB2 GLN A 10 9.382 -10.298 -4.194 1.00 0.71 H new ATOM 0 HB3 GLN A 10 9.308 -11.702 -5.240 1.00 0.71 H new ATOM 0 HG2 GLN A 10 9.813 -8.840 -6.121 1.00 0.90 H new ATOM 0 HG3 GLN A 10 11.014 -10.111 -6.003 1.00 0.90 H new ATOM 0 HE21 GLN A 10 10.182 -8.491 -8.331 1.00 2.11 H new ATOM 0 HE22 GLN A 10 9.655 -9.645 -9.560 1.00 2.11 H new ATOM 153 N SER A 11 6.516 -11.074 -3.320 1.00 0.56 N ATOM 154 CA SER A 11 5.760 -11.974 -2.450 1.00 0.70 C ATOM 155 C SER A 11 5.250 -11.253 -1.204 1.00 0.54 C ATOM 156 O SER A 11 5.653 -10.125 -0.915 1.00 0.54 O ATOM 157 CB SER A 11 6.627 -13.166 -2.040 1.00 0.97 C ATOM 158 OG SER A 11 7.774 -12.744 -1.324 1.00 1.72 O ATOM 0 H SER A 11 6.792 -10.193 -2.885 1.00 0.56 H new ATOM 0 HA SER A 11 4.897 -12.329 -3.013 1.00 0.70 H new ATOM 0 HB2 SER A 11 6.042 -13.850 -1.424 1.00 0.97 H new ATOM 0 HB3 SER A 11 6.933 -13.719 -2.928 1.00 0.97 H new ATOM 0 HG SER A 11 8.309 -13.526 -1.073 1.00 1.72 H new ATOM 164 N GLN A 12 4.357 -11.918 -0.472 1.00 0.56 N ATOM 165 CA GLN A 12 3.779 -11.353 0.742 1.00 0.50 C ATOM 166 C GLN A 12 3.572 -12.442 1.796 1.00 0.46 C ATOM 167 O GLN A 12 3.177 -13.563 1.470 1.00 0.59 O ATOM 168 CB GLN A 12 2.448 -10.670 0.414 1.00 0.70 C ATOM 169 CG GLN A 12 1.998 -9.651 1.450 1.00 0.85 C ATOM 170 CD GLN A 12 1.496 -10.290 2.729 1.00 0.99 C ATOM 171 OE1 GLN A 12 0.955 -11.397 2.712 1.00 2.01 O ATOM 172 NE2 GLN A 12 1.670 -9.591 3.844 1.00 0.82 N ATOM 0 H GLN A 12 4.018 -12.852 -0.702 1.00 0.56 H new ATOM 0 HA GLN A 12 4.468 -10.612 1.147 1.00 0.50 H new ATOM 0 HB2 GLN A 12 2.535 -10.174 -0.553 1.00 0.70 H new ATOM 0 HB3 GLN A 12 1.676 -11.433 0.312 1.00 0.70 H new ATOM 0 HG2 GLN A 12 2.830 -8.987 1.684 1.00 0.85 H new ATOM 0 HG3 GLN A 12 1.207 -9.033 1.024 1.00 0.85 H new ATOM 0 HE21 GLN A 12 2.124 -8.678 3.808 1.00 0.82 H new ATOM 0 HE22 GLN A 12 1.350 -9.967 4.737 1.00 0.82 H new ATOM 179 N GLU A 13 3.840 -12.108 3.056 1.00 0.47 N ATOM 180 CA GLU A 13 3.692 -13.062 4.154 1.00 0.52 C ATOM 181 C GLU A 13 2.329 -12.929 4.829 1.00 0.45 C ATOM 182 O GLU A 13 1.904 -11.828 5.172 1.00 0.47 O ATOM 183 CB GLU A 13 4.802 -12.854 5.185 1.00 0.71 C ATOM 184 CG GLU A 13 6.196 -13.112 4.637 1.00 1.16 C ATOM 185 CD GLU A 13 6.396 -14.555 4.215 1.00 1.72 C ATOM 186 OE1 GLU A 13 6.115 -14.875 3.041 1.00 2.39 O ATOM 187 OE2 GLU A 13 6.830 -15.366 5.061 1.00 2.07 O ATOM 0 H GLU A 13 4.161 -11.183 3.343 1.00 0.47 H new ATOM 0 HA GLU A 13 3.767 -14.066 3.735 1.00 0.52 H new ATOM 0 HB2 GLU A 13 4.751 -11.832 5.560 1.00 0.71 H new ATOM 0 HB3 GLU A 13 4.626 -13.514 6.034 1.00 0.71 H new ATOM 0 HG2 GLU A 13 6.374 -12.459 3.783 1.00 1.16 H new ATOM 0 HG3 GLU A 13 6.935 -12.853 5.395 1.00 1.16 H new ATOM 194 N ASN A 14 1.656 -14.063 5.025 1.00 0.47 N ATOM 195 CA ASN A 14 0.338 -14.082 5.655 1.00 0.52 C ATOM 196 C ASN A 14 -0.681 -13.329 4.807 1.00 0.56 C ATOM 197 O ASN A 14 -0.765 -12.102 4.862 1.00 0.92 O ATOM 198 CB ASN A 14 0.397 -13.476 7.060 1.00 0.62 C ATOM 199 CG ASN A 14 1.221 -14.316 8.018 1.00 1.26 C ATOM 200 OD1 ASN A 14 0.698 -15.210 8.684 1.00 1.88 O ATOM 201 ND2 ASN A 14 2.515 -14.033 8.093 1.00 1.78 N ATOM 0 H ASN A 14 2.004 -14.983 4.755 1.00 0.47 H new ATOM 0 HA ASN A 14 0.024 -15.123 5.736 1.00 0.52 H new ATOM 0 HB2 ASN A 14 0.821 -12.474 7.003 1.00 0.62 H new ATOM 0 HB3 ASN A 14 -0.615 -13.372 7.451 1.00 0.62 H new ATOM 0 HD21 ASN A 14 3.118 -14.565 8.721 1.00 1.78 H new ATOM 0 HD22 ASN A 14 2.907 -13.284 7.523 1.00 1.78 H new ATOM 206 N PHE A 15 -1.453 -14.072 4.019 1.00 0.52 N ATOM 207 CA PHE A 15 -2.462 -13.473 3.154 1.00 0.59 C ATOM 208 C PHE A 15 -3.862 -13.940 3.537 1.00 0.59 C ATOM 209 O PHE A 15 -4.740 -13.127 3.809 1.00 0.66 O ATOM 210 CB PHE A 15 -2.182 -13.824 1.692 1.00 0.73 C ATOM 211 CG PHE A 15 -2.075 -12.625 0.792 1.00 1.40 C ATOM 212 CD1 PHE A 15 -3.155 -11.775 0.620 1.00 1.85 C ATOM 213 CD2 PHE A 15 -0.894 -12.347 0.120 1.00 2.40 C ATOM 214 CE1 PHE A 15 -3.060 -10.670 -0.205 1.00 2.66 C ATOM 215 CE2 PHE A 15 -0.794 -11.244 -0.707 1.00 3.26 C ATOM 216 CZ PHE A 15 -1.877 -10.410 -0.877 1.00 3.24 C ATOM 0 H PHE A 15 -1.398 -15.089 3.962 1.00 0.52 H new ATOM 0 HA PHE A 15 -2.413 -12.392 3.281 1.00 0.59 H new ATOM 0 HB2 PHE A 15 -1.254 -14.393 1.636 1.00 0.73 H new ATOM 0 HB3 PHE A 15 -2.977 -14.473 1.325 1.00 0.73 H new ATOM 0 HD1 PHE A 15 -4.082 -11.978 1.136 1.00 1.85 H new ATOM 0 HD2 PHE A 15 -0.043 -13.000 0.244 1.00 2.40 H new ATOM 0 HE1 PHE A 15 -3.907 -10.010 -0.325 1.00 2.66 H new ATOM 0 HE2 PHE A 15 0.133 -11.036 -1.220 1.00 3.26 H new ATOM 0 HZ PHE A 15 -1.804 -9.555 -1.533 1.00 3.24 H new ATOM 226 N GLU A 16 -4.058 -15.255 3.557 1.00 0.65 N ATOM 227 CA GLU A 16 -5.353 -15.842 3.899 1.00 0.72 C ATOM 228 C GLU A 16 -5.918 -15.282 5.213 1.00 0.62 C ATOM 229 O GLU A 16 -7.075 -14.874 5.258 1.00 0.68 O ATOM 230 CB GLU A 16 -5.243 -17.368 3.982 1.00 0.86 C ATOM 231 CG GLU A 16 -5.022 -18.036 2.634 1.00 1.03 C ATOM 232 CD GLU A 16 -5.047 -19.548 2.722 1.00 1.53 C ATOM 233 OE1 GLU A 16 -6.144 -20.133 2.595 1.00 1.92 O ATOM 234 OE2 GLU A 16 -3.970 -20.150 2.921 1.00 1.96 O ATOM 0 H GLU A 16 -3.333 -15.939 3.339 1.00 0.65 H new ATOM 0 HA GLU A 16 -6.047 -15.571 3.103 1.00 0.72 H new ATOM 0 HB2 GLU A 16 -4.420 -17.629 4.647 1.00 0.86 H new ATOM 0 HB3 GLU A 16 -6.153 -17.766 4.430 1.00 0.86 H new ATOM 0 HG2 GLU A 16 -5.792 -17.704 1.937 1.00 1.03 H new ATOM 0 HG3 GLU A 16 -4.063 -17.715 2.227 1.00 1.03 H new ATOM 241 N PRO A 17 -5.126 -15.258 6.306 1.00 0.54 N ATOM 242 CA PRO A 17 -5.601 -14.742 7.600 1.00 0.52 C ATOM 243 C PRO A 17 -5.972 -13.260 7.552 1.00 0.45 C ATOM 244 O PRO A 17 -6.966 -12.842 8.142 1.00 0.50 O ATOM 245 CB PRO A 17 -4.412 -14.966 8.542 1.00 0.59 C ATOM 246 CG PRO A 17 -3.226 -15.102 7.650 1.00 0.72 C ATOM 247 CD PRO A 17 -3.730 -15.730 6.384 1.00 0.59 C ATOM 0 HA PRO A 17 -6.514 -15.247 7.916 1.00 0.52 H new ATOM 0 HB2 PRO A 17 -4.293 -14.130 9.231 1.00 0.59 H new ATOM 0 HB3 PRO A 17 -4.553 -15.861 9.148 1.00 0.59 H new ATOM 0 HG2 PRO A 17 -2.774 -14.130 7.450 1.00 0.72 H new ATOM 0 HG3 PRO A 17 -2.458 -15.721 8.114 1.00 0.72 H new ATOM 0 HD2 PRO A 17 -3.149 -15.413 5.518 1.00 0.59 H new ATOM 0 HD3 PRO A 17 -3.674 -16.818 6.424 1.00 0.59 H new ATOM 255 N PHE A 18 -5.169 -12.472 6.845 1.00 0.44 N ATOM 256 CA PHE A 18 -5.405 -11.035 6.719 1.00 0.54 C ATOM 257 C PHE A 18 -6.668 -10.742 5.909 1.00 0.62 C ATOM 258 O PHE A 18 -7.544 -9.997 6.348 1.00 0.68 O ATOM 259 CB PHE A 18 -4.188 -10.376 6.058 1.00 0.65 C ATOM 260 CG PHE A 18 -4.497 -9.088 5.344 1.00 0.90 C ATOM 261 CD1 PHE A 18 -4.790 -7.936 6.053 1.00 1.08 C ATOM 262 CD2 PHE A 18 -4.494 -9.037 3.959 1.00 1.08 C ATOM 263 CE1 PHE A 18 -5.073 -6.754 5.395 1.00 1.36 C ATOM 264 CE2 PHE A 18 -4.777 -7.859 3.297 1.00 1.35 C ATOM 265 CZ PHE A 18 -5.068 -6.716 4.014 1.00 1.46 C ATOM 0 H PHE A 18 -4.344 -12.805 6.347 1.00 0.44 H new ATOM 0 HA PHE A 18 -5.552 -10.622 7.717 1.00 0.54 H new ATOM 0 HB2 PHE A 18 -3.434 -10.184 6.821 1.00 0.65 H new ATOM 0 HB3 PHE A 18 -3.751 -11.077 5.347 1.00 0.65 H new ATOM 0 HD1 PHE A 18 -4.798 -7.961 7.133 1.00 1.08 H new ATOM 0 HD2 PHE A 18 -4.268 -9.928 3.392 1.00 1.08 H new ATOM 0 HE1 PHE A 18 -5.298 -5.861 5.960 1.00 1.36 H new ATOM 0 HE2 PHE A 18 -4.771 -7.832 2.217 1.00 1.35 H new ATOM 0 HZ PHE A 18 -5.291 -5.795 3.497 1.00 1.46 H new ATOM 275 N MET A 19 -6.748 -11.335 4.727 1.00 0.68 N ATOM 276 CA MET A 19 -7.880 -11.138 3.827 1.00 0.83 C ATOM 277 C MET A 19 -9.192 -11.635 4.429 1.00 0.81 C ATOM 278 O MET A 19 -10.220 -10.964 4.337 1.00 0.90 O ATOM 279 CB MET A 19 -7.609 -11.859 2.507 1.00 0.96 C ATOM 280 CG MET A 19 -7.459 -13.372 2.644 1.00 1.91 C ATOM 281 SD MET A 19 -9.045 -14.238 2.650 1.00 3.37 S ATOM 282 CE MET A 19 -8.518 -15.946 2.735 1.00 4.48 C ATOM 0 H MET A 19 -6.033 -11.965 4.363 1.00 0.68 H new ATOM 0 HA MET A 19 -7.987 -10.067 3.658 1.00 0.83 H new ATOM 0 HB2 MET A 19 -8.424 -11.646 1.815 1.00 0.96 H new ATOM 0 HB3 MET A 19 -6.700 -11.453 2.063 1.00 0.96 H new ATOM 0 HG2 MET A 19 -6.849 -13.747 1.822 1.00 1.91 H new ATOM 0 HG3 MET A 19 -6.924 -13.597 3.567 1.00 1.91 H new ATOM 0 HE1 MET A 19 -9.389 -16.599 2.674 1.00 4.48 H new ATOM 0 HE2 MET A 19 -7.845 -16.161 1.905 1.00 4.48 H new ATOM 0 HE3 MET A 19 -7.999 -16.120 3.678 1.00 4.48 H new ATOM 292 N LYS A 20 -9.149 -12.810 5.040 1.00 0.73 N ATOM 293 CA LYS A 20 -10.341 -13.413 5.621 1.00 0.79 C ATOM 294 C LYS A 20 -10.804 -12.663 6.867 1.00 0.72 C ATOM 295 O LYS A 20 -12.004 -12.502 7.090 1.00 0.79 O ATOM 296 CB LYS A 20 -10.069 -14.881 5.943 1.00 0.85 C ATOM 297 CG LYS A 20 -11.210 -15.806 5.562 1.00 1.02 C ATOM 298 CD LYS A 20 -10.974 -17.220 6.068 1.00 1.37 C ATOM 299 CE LYS A 20 -11.947 -18.206 5.439 1.00 1.63 C ATOM 300 NZ LYS A 20 -13.364 -17.844 5.716 1.00 2.27 N ATOM 0 H LYS A 20 -8.301 -13.366 5.147 1.00 0.73 H new ATOM 0 HA LYS A 20 -11.147 -13.348 4.890 1.00 0.79 H new ATOM 0 HB2 LYS A 20 -9.166 -15.198 5.422 1.00 0.85 H new ATOM 0 HB3 LYS A 20 -9.872 -14.980 7.011 1.00 0.85 H new ATOM 0 HG2 LYS A 20 -12.144 -15.422 5.973 1.00 1.02 H new ATOM 0 HG3 LYS A 20 -11.322 -15.820 4.478 1.00 1.02 H new ATOM 0 HD2 LYS A 20 -9.951 -17.522 5.843 1.00 1.37 H new ATOM 0 HD3 LYS A 20 -11.082 -17.242 7.152 1.00 1.37 H new ATOM 0 HE2 LYS A 20 -11.785 -18.238 4.362 1.00 1.63 H new ATOM 0 HE3 LYS A 20 -11.747 -19.207 5.821 1.00 1.63 H new ATOM 0 HZ1 LYS A 20 -13.987 -18.616 5.404 1.00 2.27 H new ATOM 0 HZ2 LYS A 20 -13.490 -17.689 6.737 1.00 2.27 H new ATOM 0 HZ3 LYS A 20 -13.607 -16.974 5.201 1.00 2.27 H new ATOM 314 N ALA A 21 -9.854 -12.207 7.677 1.00 0.64 N ATOM 315 CA ALA A 21 -10.181 -11.469 8.892 1.00 0.64 C ATOM 316 C ALA A 21 -10.857 -10.142 8.556 1.00 0.65 C ATOM 317 O ALA A 21 -11.362 -9.448 9.440 1.00 0.85 O ATOM 318 CB ALA A 21 -8.931 -11.233 9.725 1.00 0.67 C ATOM 0 H ALA A 21 -8.855 -12.335 7.515 1.00 0.64 H new ATOM 0 HA ALA A 21 -10.879 -12.069 9.476 1.00 0.64 H new ATOM 0 HB1 ALA A 21 -9.194 -10.681 10.627 1.00 0.67 H new ATOM 0 HB2 ALA A 21 -8.491 -12.191 10.001 1.00 0.67 H new ATOM 0 HB3 ALA A 21 -8.210 -10.657 9.145 1.00 0.67 H new ATOM 324 N MET A 22 -10.860 -9.798 7.272 1.00 0.66 N ATOM 325 CA MET A 22 -11.474 -8.558 6.807 1.00 0.72 C ATOM 326 C MET A 22 -12.812 -8.837 6.127 1.00 0.74 C ATOM 327 O MET A 22 -13.868 -8.466 6.638 1.00 0.90 O ATOM 328 CB MET A 22 -10.534 -7.838 5.835 1.00 0.75 C ATOM 329 CG MET A 22 -11.135 -6.586 5.219 1.00 0.88 C ATOM 330 SD MET A 22 -11.329 -5.247 6.414 1.00 1.45 S ATOM 331 CE MET A 22 -11.983 -3.949 5.367 1.00 2.05 C ATOM 0 H MET A 22 -10.443 -10.363 6.532 1.00 0.66 H new ATOM 0 HA MET A 22 -11.653 -7.919 7.672 1.00 0.72 H new ATOM 0 HB2 MET A 22 -9.618 -7.570 6.361 1.00 0.75 H new ATOM 0 HB3 MET A 22 -10.254 -8.526 5.037 1.00 0.75 H new ATOM 0 HG2 MET A 22 -10.500 -6.248 4.400 1.00 0.88 H new ATOM 0 HG3 MET A 22 -12.107 -6.828 4.789 1.00 0.88 H new ATOM 0 HE1 MET A 22 -12.156 -3.053 5.963 1.00 2.05 H new ATOM 0 HE2 MET A 22 -11.268 -3.726 4.575 1.00 2.05 H new ATOM 0 HE3 MET A 22 -12.924 -4.277 4.925 1.00 2.05 H new ATOM 341 N GLY A 23 -12.754 -9.496 4.973 1.00 0.79 N ATOM 342 CA GLY A 23 -13.962 -9.815 4.234 1.00 0.85 C ATOM 343 C GLY A 23 -13.671 -10.201 2.798 1.00 0.84 C ATOM 344 O GLY A 23 -14.587 -10.385 1.995 1.00 0.97 O ATOM 0 H GLY A 23 -11.889 -9.815 4.536 1.00 0.79 H new ATOM 0 HA2 GLY A 23 -14.483 -10.634 4.730 1.00 0.85 H new ATOM 0 HA3 GLY A 23 -14.632 -8.955 4.248 1.00 0.85 H new ATOM 348 N LEU A 24 -12.387 -10.324 2.477 1.00 0.77 N ATOM 349 CA LEU A 24 -11.961 -10.688 1.132 1.00 0.78 C ATOM 350 C LEU A 24 -12.003 -12.207 0.947 1.00 0.71 C ATOM 351 O LEU A 24 -11.468 -12.948 1.770 1.00 0.68 O ATOM 352 CB LEU A 24 -10.545 -10.159 0.883 1.00 0.78 C ATOM 353 CG LEU A 24 -10.090 -10.121 -0.580 1.00 0.89 C ATOM 354 CD1 LEU A 24 -10.984 -9.200 -1.398 1.00 1.45 C ATOM 355 CD2 LEU A 24 -8.640 -9.666 -0.667 1.00 1.26 C ATOM 0 H LEU A 24 -11.621 -10.176 3.134 1.00 0.77 H new ATOM 0 HA LEU A 24 -12.643 -10.240 0.410 1.00 0.78 H new ATOM 0 HB2 LEU A 24 -10.479 -9.150 1.290 1.00 0.78 H new ATOM 0 HB3 LEU A 24 -9.844 -10.776 1.445 1.00 0.78 H new ATOM 0 HG LEU A 24 -10.168 -11.127 -0.992 1.00 0.89 H new ATOM 0 HD11 LEU A 24 -10.643 -9.188 -2.433 1.00 1.45 H new ATOM 0 HD12 LEU A 24 -12.012 -9.561 -1.358 1.00 1.45 H new ATOM 0 HD13 LEU A 24 -10.938 -8.191 -0.989 1.00 1.45 H new ATOM 0 HD21 LEU A 24 -8.328 -9.643 -1.711 1.00 1.26 H new ATOM 0 HD22 LEU A 24 -8.545 -8.669 -0.238 1.00 1.26 H new ATOM 0 HD23 LEU A 24 -8.007 -10.360 -0.114 1.00 1.26 H new ATOM 361 N PRO A 25 -12.650 -12.697 -0.130 1.00 0.76 N ATOM 362 CA PRO A 25 -12.748 -14.136 -0.402 1.00 0.74 C ATOM 363 C PRO A 25 -11.439 -14.712 -0.929 1.00 0.67 C ATOM 364 O PRO A 25 -10.883 -14.206 -1.901 1.00 0.67 O ATOM 365 CB PRO A 25 -13.834 -14.211 -1.474 1.00 0.85 C ATOM 366 CG PRO A 25 -13.719 -12.919 -2.199 1.00 0.94 C ATOM 367 CD PRO A 25 -13.330 -11.897 -1.168 1.00 0.89 C ATOM 0 HA PRO A 25 -12.972 -14.712 0.496 1.00 0.74 H new ATOM 0 HB2 PRO A 25 -13.677 -15.058 -2.142 1.00 0.85 H new ATOM 0 HB3 PRO A 25 -14.823 -14.333 -1.032 1.00 0.85 H new ATOM 0 HG2 PRO A 25 -12.970 -12.980 -2.989 1.00 0.94 H new ATOM 0 HG3 PRO A 25 -14.663 -12.653 -2.675 1.00 0.94 H new ATOM 0 HD2 PRO A 25 -12.670 -11.137 -1.585 1.00 0.89 H new ATOM 0 HD3 PRO A 25 -14.201 -11.378 -0.768 1.00 0.89 H new ATOM 375 N GLU A 26 -10.986 -15.801 -0.310 1.00 0.64 N ATOM 376 CA GLU A 26 -9.730 -16.448 -0.688 1.00 0.60 C ATOM 377 C GLU A 26 -9.634 -16.675 -2.194 1.00 0.60 C ATOM 378 O GLU A 26 -8.535 -16.756 -2.742 1.00 0.59 O ATOM 379 CB GLU A 26 -9.592 -17.788 0.040 1.00 0.64 C ATOM 380 CG GLU A 26 -10.648 -18.808 -0.352 1.00 1.42 C ATOM 381 CD GLU A 26 -10.509 -20.114 0.409 1.00 1.61 C ATOM 382 OE1 GLU A 26 -9.640 -20.930 0.033 1.00 1.74 O ATOM 383 OE2 GLU A 26 -11.271 -20.319 1.376 1.00 1.99 O ATOM 0 H GLU A 26 -11.474 -16.257 0.461 1.00 0.64 H new ATOM 0 HA GLU A 26 -8.919 -15.780 -0.397 1.00 0.60 H new ATOM 0 HB2 GLU A 26 -8.605 -18.203 -0.165 1.00 0.64 H new ATOM 0 HB3 GLU A 26 -9.648 -17.615 1.115 1.00 0.64 H new ATOM 0 HG2 GLU A 26 -11.638 -18.389 -0.170 1.00 1.42 H new ATOM 0 HG3 GLU A 26 -10.578 -19.006 -1.422 1.00 1.42 H new ATOM 390 N ASP A 27 -10.775 -16.781 -2.862 1.00 0.65 N ATOM 391 CA ASP A 27 -10.787 -16.989 -4.304 1.00 0.70 C ATOM 392 C ASP A 27 -10.057 -15.853 -5.021 1.00 0.70 C ATOM 393 O ASP A 27 -9.220 -16.092 -5.892 1.00 0.71 O ATOM 394 CB ASP A 27 -12.225 -17.088 -4.817 1.00 0.80 C ATOM 395 CG ASP A 27 -12.893 -18.388 -4.417 1.00 1.44 C ATOM 396 OD1 ASP A 27 -13.439 -18.453 -3.294 1.00 2.29 O ATOM 397 OD2 ASP A 27 -12.872 -19.342 -5.222 1.00 1.62 O ATOM 0 H ASP A 27 -11.698 -16.727 -2.432 1.00 0.65 H new ATOM 0 HA ASP A 27 -10.269 -17.925 -4.515 1.00 0.70 H new ATOM 0 HB2 ASP A 27 -12.805 -16.250 -4.429 1.00 0.80 H new ATOM 0 HB3 ASP A 27 -12.227 -17.001 -5.904 1.00 0.80 H new ATOM 402 N LEU A 28 -10.380 -14.618 -4.645 1.00 0.73 N ATOM 403 CA LEU A 28 -9.757 -13.441 -5.246 1.00 0.78 C ATOM 404 C LEU A 28 -8.289 -13.314 -4.845 1.00 0.74 C ATOM 405 O LEU A 28 -7.453 -12.908 -5.651 1.00 0.77 O ATOM 406 CB LEU A 28 -10.519 -12.173 -4.851 1.00 0.90 C ATOM 407 CG LEU A 28 -11.694 -11.808 -5.763 1.00 1.08 C ATOM 408 CD1 LEU A 28 -12.762 -12.888 -5.725 1.00 1.65 C ATOM 409 CD2 LEU A 28 -12.277 -10.461 -5.361 1.00 1.60 C ATOM 0 H LEU A 28 -11.071 -14.406 -3.925 1.00 0.73 H new ATOM 0 HA LEU A 28 -9.800 -13.564 -6.328 1.00 0.78 H new ATOM 0 HB2 LEU A 28 -10.893 -12.295 -3.834 1.00 0.90 H new ATOM 0 HB3 LEU A 28 -9.819 -11.338 -4.835 1.00 0.90 H new ATOM 0 HG LEU A 28 -11.325 -11.734 -6.786 1.00 1.08 H new ATOM 0 HD11 LEU A 28 -13.587 -12.607 -6.380 1.00 1.65 H new ATOM 0 HD12 LEU A 28 -12.336 -13.833 -6.062 1.00 1.65 H new ATOM 0 HD13 LEU A 28 -13.130 -13.000 -4.705 1.00 1.65 H new ATOM 0 HD21 LEU A 28 -13.111 -10.215 -6.018 1.00 1.60 H new ATOM 0 HD22 LEU A 28 -12.629 -10.510 -4.331 1.00 1.60 H new ATOM 0 HD23 LEU A 28 -11.509 -9.692 -5.446 1.00 1.60 H new ATOM 415 N ILE A 29 -7.982 -13.648 -3.596 1.00 0.70 N ATOM 416 CA ILE A 29 -6.610 -13.558 -3.101 1.00 0.72 C ATOM 417 C ILE A 29 -5.681 -14.489 -3.873 1.00 0.66 C ATOM 418 O ILE A 29 -4.567 -14.109 -4.228 1.00 0.70 O ATOM 419 CB ILE A 29 -6.526 -13.887 -1.597 1.00 0.76 C ATOM 420 CG1 ILE A 29 -7.251 -12.818 -0.777 1.00 1.01 C ATOM 421 CG2 ILE A 29 -5.075 -14.007 -1.152 1.00 0.90 C ATOM 422 CD1 ILE A 29 -8.644 -13.222 -0.363 1.00 1.27 C ATOM 0 H ILE A 29 -8.659 -13.982 -2.910 1.00 0.70 H new ATOM 0 HA ILE A 29 -6.290 -12.527 -3.253 1.00 0.72 H new ATOM 0 HB ILE A 29 -7.015 -14.846 -1.428 1.00 0.76 H new ATOM 0 HG12 ILE A 29 -6.665 -12.596 0.115 1.00 1.01 H new ATOM 0 HG13 ILE A 29 -7.306 -11.899 -1.360 1.00 1.01 H new ATOM 0 HG21 ILE A 29 -5.039 -14.239 -0.088 1.00 0.90 H new ATOM 0 HG22 ILE A 29 -4.587 -14.803 -1.714 1.00 0.90 H new ATOM 0 HG23 ILE A 29 -4.559 -13.064 -1.335 1.00 0.90 H new ATOM 0 HD11 ILE A 29 -9.099 -12.418 0.215 1.00 1.27 H new ATOM 0 HD12 ILE A 29 -9.245 -13.416 -1.251 1.00 1.27 H new ATOM 0 HD13 ILE A 29 -8.595 -14.124 0.247 1.00 1.27 H new ATOM 426 N GLN A 30 -6.145 -15.708 -4.123 1.00 0.61 N ATOM 427 CA GLN A 30 -5.350 -16.696 -4.848 1.00 0.62 C ATOM 428 C GLN A 30 -5.005 -16.211 -6.253 1.00 0.62 C ATOM 429 O GLN A 30 -3.858 -16.312 -6.690 1.00 0.64 O ATOM 430 CB GLN A 30 -6.102 -18.025 -4.927 1.00 0.68 C ATOM 431 CG GLN A 30 -6.251 -18.723 -3.585 1.00 0.73 C ATOM 432 CD GLN A 30 -4.924 -19.191 -3.023 1.00 0.99 C ATOM 433 OE1 GLN A 30 -4.481 -20.308 -3.291 1.00 1.44 O ATOM 434 NE2 GLN A 30 -4.280 -18.336 -2.236 1.00 1.08 N ATOM 0 H GLN A 30 -7.067 -16.037 -3.835 1.00 0.61 H new ATOM 0 HA GLN A 30 -4.419 -16.840 -4.300 1.00 0.62 H new ATOM 0 HB2 GLN A 30 -7.092 -17.848 -5.346 1.00 0.68 H new ATOM 0 HB3 GLN A 30 -5.578 -18.688 -5.615 1.00 0.68 H new ATOM 0 HG2 GLN A 30 -6.722 -18.043 -2.876 1.00 0.73 H new ATOM 0 HG3 GLN A 30 -6.917 -19.579 -3.696 1.00 0.73 H new ATOM 0 HE21 GLN A 30 -4.684 -17.420 -2.040 1.00 1.08 H new ATOM 0 HE22 GLN A 30 -3.382 -18.596 -1.828 1.00 1.08 H new ATOM 441 N LYS A 31 -6.002 -15.688 -6.960 1.00 0.65 N ATOM 442 CA LYS A 31 -5.798 -15.198 -8.320 1.00 0.72 C ATOM 443 C LYS A 31 -4.931 -13.939 -8.337 1.00 0.72 C ATOM 444 O LYS A 31 -4.187 -13.700 -9.289 1.00 0.76 O ATOM 445 CB LYS A 31 -7.146 -14.928 -9.001 1.00 0.86 C ATOM 446 CG LYS A 31 -7.810 -13.631 -8.568 1.00 1.19 C ATOM 447 CD LYS A 31 -9.001 -13.288 -9.453 1.00 1.49 C ATOM 448 CE LYS A 31 -8.571 -12.964 -10.875 1.00 2.17 C ATOM 449 NZ LYS A 31 -9.732 -12.636 -11.749 1.00 2.84 N ATOM 0 H LYS A 31 -6.957 -15.592 -6.615 1.00 0.65 H new ATOM 0 HA LYS A 31 -5.271 -15.973 -8.876 1.00 0.72 H new ATOM 0 HB2 LYS A 31 -6.998 -14.905 -10.081 1.00 0.86 H new ATOM 0 HB3 LYS A 31 -7.821 -15.758 -8.789 1.00 0.86 H new ATOM 0 HG2 LYS A 31 -8.139 -13.718 -7.532 1.00 1.19 H new ATOM 0 HG3 LYS A 31 -7.083 -12.820 -8.605 1.00 1.19 H new ATOM 0 HD2 LYS A 31 -9.698 -14.126 -9.466 1.00 1.49 H new ATOM 0 HD3 LYS A 31 -9.534 -12.436 -9.031 1.00 1.49 H new ATOM 0 HE2 LYS A 31 -7.879 -12.122 -10.861 1.00 2.17 H new ATOM 0 HE3 LYS A 31 -8.031 -13.814 -11.293 1.00 2.17 H new ATOM 0 HZ1 LYS A 31 -9.446 -12.704 -12.747 1.00 2.84 H new ATOM 0 HZ2 LYS A 31 -10.506 -13.306 -11.564 1.00 2.84 H new ATOM 0 HZ3 LYS A 31 -10.056 -11.669 -11.547 1.00 2.84 H new ATOM 463 N GLY A 32 -5.031 -13.138 -7.279 1.00 0.73 N ATOM 464 CA GLY A 32 -4.262 -11.907 -7.201 1.00 0.81 C ATOM 465 C GLY A 32 -2.816 -12.123 -6.786 1.00 0.76 C ATOM 466 O GLY A 32 -1.922 -11.414 -7.251 1.00 0.83 O ATOM 0 H GLY A 32 -5.631 -13.319 -6.474 1.00 0.73 H new ATOM 0 HA2 GLY A 32 -4.283 -11.412 -8.172 1.00 0.81 H new ATOM 0 HA3 GLY A 32 -4.740 -11.234 -6.489 1.00 0.81 H new ATOM 470 N LYS A 33 -2.580 -13.096 -5.911 1.00 0.72 N ATOM 471 CA LYS A 33 -1.228 -13.382 -5.435 1.00 0.76 C ATOM 472 C LYS A 33 -0.390 -14.037 -6.527 1.00 0.70 C ATOM 473 O LYS A 33 0.838 -13.945 -6.516 1.00 0.77 O ATOM 474 CB LYS A 33 -1.271 -14.283 -4.197 1.00 0.83 C ATOM 475 CG LYS A 33 -1.854 -15.662 -4.462 1.00 0.79 C ATOM 476 CD LYS A 33 -1.837 -16.529 -3.212 1.00 0.92 C ATOM 477 CE LYS A 33 -0.421 -16.923 -2.820 1.00 1.16 C ATOM 478 NZ LYS A 33 0.270 -17.671 -3.907 1.00 1.82 N ATOM 0 H LYS A 33 -3.303 -13.698 -5.518 1.00 0.72 H new ATOM 0 HA LYS A 33 -0.763 -12.434 -5.165 1.00 0.76 H new ATOM 0 HB2 LYS A 33 -0.260 -14.395 -3.805 1.00 0.83 H new ATOM 0 HB3 LYS A 33 -1.860 -13.792 -3.422 1.00 0.83 H new ATOM 0 HG2 LYS A 33 -2.878 -15.561 -4.821 1.00 0.79 H new ATOM 0 HG3 LYS A 33 -1.286 -16.152 -5.253 1.00 0.79 H new ATOM 0 HD2 LYS A 33 -2.306 -15.990 -2.389 1.00 0.92 H new ATOM 0 HD3 LYS A 33 -2.430 -17.427 -3.384 1.00 0.92 H new ATOM 0 HE2 LYS A 33 0.150 -16.027 -2.576 1.00 1.16 H new ATOM 0 HE3 LYS A 33 -0.451 -17.537 -1.920 1.00 1.16 H new ATOM 0 HZ1 LYS A 33 1.098 -18.164 -3.517 1.00 1.82 H new ATOM 0 HZ2 LYS A 33 -0.384 -18.366 -4.320 1.00 1.82 H new ATOM 0 HZ3 LYS A 33 0.579 -17.006 -4.644 1.00 1.82 H new ATOM 492 N ASP A 34 -1.059 -14.698 -7.466 1.00 0.64 N ATOM 493 CA ASP A 34 -0.370 -15.369 -8.563 1.00 0.65 C ATOM 494 C ASP A 34 0.368 -14.361 -9.436 1.00 0.57 C ATOM 495 O ASP A 34 1.399 -14.679 -10.032 1.00 0.60 O ATOM 496 CB ASP A 34 -1.367 -16.162 -9.412 1.00 0.74 C ATOM 497 CG ASP A 34 -0.681 -16.983 -10.486 1.00 1.17 C ATOM 498 OD1 ASP A 34 -0.482 -16.453 -11.601 1.00 1.89 O ATOM 499 OD2 ASP A 34 -0.342 -18.153 -10.213 1.00 1.17 O ATOM 0 H ASP A 34 -2.075 -14.783 -7.490 1.00 0.64 H new ATOM 0 HA ASP A 34 0.359 -16.057 -8.135 1.00 0.65 H new ATOM 0 HB2 ASP A 34 -1.946 -16.823 -8.767 1.00 0.74 H new ATOM 0 HB3 ASP A 34 -2.072 -15.474 -9.878 1.00 0.74 H new ATOM 504 N ILE A 35 -0.165 -13.146 -9.507 1.00 0.52 N ATOM 505 CA ILE A 35 0.443 -12.089 -10.305 1.00 0.48 C ATOM 506 C ILE A 35 1.202 -11.105 -9.420 1.00 0.43 C ATOM 507 O ILE A 35 0.631 -10.513 -8.502 1.00 0.46 O ATOM 508 CB ILE A 35 -0.616 -11.323 -11.124 1.00 0.52 C ATOM 509 CG1 ILE A 35 -1.433 -12.299 -11.977 1.00 0.61 C ATOM 510 CG2 ILE A 35 0.053 -10.275 -12.002 1.00 0.55 C ATOM 511 CD1 ILE A 35 -2.570 -11.642 -12.735 1.00 1.28 C ATOM 0 H ILE A 35 -1.018 -12.869 -9.021 1.00 0.52 H new ATOM 0 HA ILE A 35 1.141 -12.568 -10.992 1.00 0.48 H new ATOM 0 HB ILE A 35 -1.292 -10.815 -10.437 1.00 0.52 H new ATOM 0 HG12 ILE A 35 -0.769 -12.789 -12.689 1.00 0.61 H new ATOM 0 HG13 ILE A 35 -1.840 -13.078 -11.332 1.00 0.61 H new ATOM 0 HG21 ILE A 35 -0.706 -9.742 -12.575 1.00 0.55 H new ATOM 0 HG22 ILE A 35 0.597 -9.569 -11.375 1.00 0.55 H new ATOM 0 HG23 ILE A 35 0.747 -10.763 -12.686 1.00 0.55 H new ATOM 0 HD11 ILE A 35 -3.103 -12.395 -13.316 1.00 1.28 H new ATOM 0 HD12 ILE A 35 -3.257 -11.176 -12.029 1.00 1.28 H new ATOM 0 HD13 ILE A 35 -2.169 -10.882 -13.406 1.00 1.28 H new ATOM 515 N LYS A 36 2.491 -10.938 -9.698 1.00 0.40 N ATOM 516 CA LYS A 36 3.330 -10.023 -8.930 1.00 0.38 C ATOM 517 C LYS A 36 2.788 -8.600 -9.001 1.00 0.38 C ATOM 518 O LYS A 36 2.635 -8.036 -10.084 1.00 0.51 O ATOM 519 CB LYS A 36 4.767 -10.060 -9.452 1.00 0.41 C ATOM 520 CG LYS A 36 5.397 -11.443 -9.405 1.00 1.03 C ATOM 521 CD LYS A 36 6.831 -11.427 -9.915 1.00 1.53 C ATOM 522 CE LYS A 36 6.900 -11.073 -11.392 1.00 2.02 C ATOM 523 NZ LYS A 36 8.301 -11.078 -11.898 1.00 2.58 N ATOM 0 H LYS A 36 2.978 -11.425 -10.450 1.00 0.40 H new ATOM 0 HA LYS A 36 3.319 -10.345 -7.889 1.00 0.38 H new ATOM 0 HB2 LYS A 36 4.780 -9.699 -10.480 1.00 0.41 H new ATOM 0 HB3 LYS A 36 5.376 -9.373 -8.865 1.00 0.41 H new ATOM 0 HG2 LYS A 36 5.379 -11.816 -8.381 1.00 1.03 H new ATOM 0 HG3 LYS A 36 4.805 -12.133 -10.006 1.00 1.03 H new ATOM 0 HD2 LYS A 36 7.413 -10.706 -9.341 1.00 1.53 H new ATOM 0 HD3 LYS A 36 7.285 -12.405 -9.754 1.00 1.53 H new ATOM 0 HE2 LYS A 36 6.304 -11.784 -11.964 1.00 2.02 H new ATOM 0 HE3 LYS A 36 6.460 -10.088 -11.551 1.00 2.02 H new ATOM 0 HZ1 LYS A 36 8.306 -10.832 -12.908 1.00 2.58 H new ATOM 0 HZ2 LYS A 36 8.864 -10.381 -11.369 1.00 2.58 H new ATOM 0 HZ3 LYS A 36 8.713 -12.024 -11.770 1.00 2.58 H new ATOM 537 N GLY A 37 2.496 -8.026 -7.838 1.00 0.45 N ATOM 538 CA GLY A 37 1.972 -6.672 -7.787 1.00 0.49 C ATOM 539 C GLY A 37 2.947 -5.651 -8.339 1.00 0.40 C ATOM 540 O GLY A 37 4.150 -5.908 -8.414 1.00 0.39 O ATOM 0 H GLY A 37 2.613 -8.474 -6.929 1.00 0.45 H new ATOM 0 HA2 GLY A 37 1.042 -6.624 -8.353 1.00 0.49 H new ATOM 0 HA3 GLY A 37 1.730 -6.418 -6.755 1.00 0.49 H new ATOM 544 N VAL A 38 2.428 -4.491 -8.726 1.00 0.42 N ATOM 545 CA VAL A 38 3.258 -3.425 -9.276 1.00 0.40 C ATOM 546 C VAL A 38 3.112 -2.149 -8.456 1.00 0.40 C ATOM 547 O VAL A 38 2.000 -1.743 -8.117 1.00 0.48 O ATOM 548 CB VAL A 38 2.891 -3.122 -10.742 1.00 0.51 C ATOM 549 CG1 VAL A 38 3.885 -2.147 -11.354 1.00 0.67 C ATOM 550 CG2 VAL A 38 2.821 -4.406 -11.557 1.00 0.80 C ATOM 0 H VAL A 38 1.435 -4.265 -8.669 1.00 0.42 H new ATOM 0 HA VAL A 38 4.291 -3.772 -9.235 1.00 0.40 H new ATOM 0 HB VAL A 38 1.905 -2.657 -10.758 1.00 0.51 H new ATOM 0 HG11 VAL A 38 3.608 -1.946 -12.389 1.00 0.67 H new ATOM 0 HG12 VAL A 38 3.876 -1.215 -10.789 1.00 0.67 H new ATOM 0 HG13 VAL A 38 4.885 -2.580 -11.324 1.00 0.67 H new ATOM 0 HG21 VAL A 38 2.561 -4.169 -12.588 1.00 0.80 H new ATOM 0 HG22 VAL A 38 3.790 -4.905 -11.533 1.00 0.80 H new ATOM 0 HG23 VAL A 38 2.063 -5.065 -11.134 1.00 0.80 H new ATOM 554 N SER A 39 4.240 -1.521 -8.135 1.00 0.37 N ATOM 555 CA SER A 39 4.234 -0.289 -7.352 1.00 0.40 C ATOM 556 C SER A 39 5.182 0.745 -7.952 1.00 0.39 C ATOM 557 O SER A 39 6.305 0.423 -8.335 1.00 0.44 O ATOM 558 CB SER A 39 4.630 -0.580 -5.903 1.00 0.47 C ATOM 559 OG SER A 39 3.728 -1.489 -5.298 1.00 1.40 O ATOM 0 H SER A 39 5.169 -1.845 -8.405 1.00 0.37 H new ATOM 0 HA SER A 39 3.223 0.118 -7.372 1.00 0.40 H new ATOM 0 HB2 SER A 39 5.639 -0.992 -5.875 1.00 0.47 H new ATOM 0 HB3 SER A 39 4.649 0.350 -5.335 1.00 0.47 H new ATOM 0 HG SER A 39 4.005 -1.659 -4.373 1.00 1.40 H new ATOM 565 N GLU A 40 4.722 1.991 -8.030 1.00 0.38 N ATOM 566 CA GLU A 40 5.532 3.074 -8.576 1.00 0.39 C ATOM 567 C GLU A 40 5.444 4.314 -7.693 1.00 0.39 C ATOM 568 O GLU A 40 4.351 4.756 -7.339 1.00 0.45 O ATOM 569 CB GLU A 40 5.077 3.413 -9.998 1.00 0.43 C ATOM 570 CG GLU A 40 5.941 4.458 -10.679 1.00 1.21 C ATOM 571 CD GLU A 40 5.348 4.946 -11.987 1.00 1.54 C ATOM 572 OE1 GLU A 40 5.551 4.274 -13.019 1.00 1.57 O ATOM 573 OE2 GLU A 40 4.677 6.001 -11.977 1.00 2.16 O ATOM 0 H GLU A 40 3.792 2.275 -7.722 1.00 0.38 H new ATOM 0 HA GLU A 40 6.570 2.741 -8.604 1.00 0.39 H new ATOM 0 HB2 GLU A 40 5.081 2.503 -10.598 1.00 0.43 H new ATOM 0 HB3 GLU A 40 4.047 3.770 -9.966 1.00 0.43 H new ATOM 0 HG2 GLU A 40 6.076 5.306 -10.007 1.00 1.21 H new ATOM 0 HG3 GLU A 40 6.930 4.040 -10.867 1.00 1.21 H new ATOM 580 N ILE A 41 6.598 4.871 -7.336 1.00 0.39 N ATOM 581 CA ILE A 41 6.634 6.060 -6.492 1.00 0.41 C ATOM 582 C ILE A 41 7.113 7.278 -7.270 1.00 0.40 C ATOM 583 O ILE A 41 8.243 7.309 -7.767 1.00 0.43 O ATOM 584 CB ILE A 41 7.566 5.868 -5.276 1.00 0.48 C ATOM 585 CG1 ILE A 41 7.534 4.415 -4.788 1.00 0.57 C ATOM 586 CG2 ILE A 41 7.170 6.821 -4.158 1.00 0.55 C ATOM 587 CD1 ILE A 41 6.175 3.959 -4.300 1.00 1.16 C ATOM 0 H ILE A 41 7.514 4.521 -7.616 1.00 0.39 H new ATOM 0 HA ILE A 41 5.613 6.220 -6.147 1.00 0.41 H new ATOM 0 HB ILE A 41 8.587 6.095 -5.582 1.00 0.48 H new ATOM 0 HG12 ILE A 41 7.855 3.763 -5.600 1.00 0.57 H new ATOM 0 HG13 ILE A 41 8.257 4.298 -3.981 1.00 0.57 H new ATOM 0 HG21 ILE A 41 7.834 6.677 -3.305 1.00 0.55 H new ATOM 0 HG22 ILE A 41 7.250 7.849 -4.511 1.00 0.55 H new ATOM 0 HG23 ILE A 41 6.142 6.620 -3.856 1.00 0.55 H new ATOM 0 HD11 ILE A 41 6.236 2.921 -3.972 1.00 1.16 H new ATOM 0 HD12 ILE A 41 5.859 4.585 -3.466 1.00 1.16 H new ATOM 0 HD13 ILE A 41 5.451 4.042 -5.110 1.00 1.16 H new ATOM 591 N VAL A 42 6.246 8.282 -7.360 1.00 0.39 N ATOM 592 CA VAL A 42 6.564 9.521 -8.059 1.00 0.41 C ATOM 593 C VAL A 42 6.771 10.653 -7.058 1.00 0.41 C ATOM 594 O VAL A 42 5.887 10.948 -6.254 1.00 0.42 O ATOM 595 CB VAL A 42 5.449 9.913 -9.048 1.00 0.45 C ATOM 596 CG1 VAL A 42 5.832 11.162 -9.825 1.00 0.52 C ATOM 597 CG2 VAL A 42 5.145 8.761 -9.995 1.00 0.50 C ATOM 0 H VAL A 42 5.311 8.260 -6.954 1.00 0.39 H new ATOM 0 HA VAL A 42 7.482 9.354 -8.622 1.00 0.41 H new ATOM 0 HB VAL A 42 4.547 10.133 -8.477 1.00 0.45 H new ATOM 0 HG11 VAL A 42 5.030 11.420 -10.517 1.00 0.52 H new ATOM 0 HG12 VAL A 42 5.992 11.987 -9.131 1.00 0.52 H new ATOM 0 HG13 VAL A 42 6.748 10.975 -10.385 1.00 0.52 H new ATOM 0 HG21 VAL A 42 4.355 9.057 -10.686 1.00 0.50 H new ATOM 0 HG22 VAL A 42 6.043 8.506 -10.558 1.00 0.50 H new ATOM 0 HG23 VAL A 42 4.819 7.894 -9.420 1.00 0.50 H new ATOM 601 N HIS A 43 7.939 11.283 -7.107 1.00 0.45 N ATOM 602 CA HIS A 43 8.250 12.373 -6.190 1.00 0.48 C ATOM 603 C HIS A 43 8.239 13.725 -6.899 1.00 0.51 C ATOM 604 O HIS A 43 9.050 13.978 -7.791 1.00 0.58 O ATOM 605 CB HIS A 43 9.612 12.131 -5.533 1.00 0.57 C ATOM 606 CG HIS A 43 10.147 13.323 -4.798 1.00 0.72 C ATOM 607 ND1 HIS A 43 11.322 13.956 -5.145 1.00 1.30 N ATOM 608 CD2 HIS A 43 9.662 13.997 -3.727 1.00 0.78 C ATOM 609 CE1 HIS A 43 11.537 14.965 -4.321 1.00 1.31 C ATOM 610 NE2 HIS A 43 10.543 15.012 -3.453 1.00 0.87 N ATOM 0 H HIS A 43 8.683 11.059 -7.768 1.00 0.45 H new ATOM 0 HA HIS A 43 7.477 12.396 -5.422 1.00 0.48 H new ATOM 0 HB2 HIS A 43 9.527 11.295 -4.839 1.00 0.57 H new ATOM 0 HB3 HIS A 43 10.328 11.837 -6.300 1.00 0.57 H new ATOM 0 HD2 HIS A 43 8.752 13.776 -3.189 1.00 0.78 H new ATOM 0 HE1 HIS A 43 12.382 15.637 -4.352 1.00 1.31 H new ATOM 0 HE2 HIS A 43 10.446 15.693 -2.700 1.00 0.87 H new ATOM 619 N GLU A 44 7.313 14.590 -6.491 1.00 0.51 N ATOM 620 CA GLU A 44 7.197 15.924 -7.071 1.00 0.58 C ATOM 621 C GLU A 44 6.953 16.958 -5.977 1.00 0.61 C ATOM 622 O GLU A 44 5.835 17.094 -5.477 1.00 0.64 O ATOM 623 CB GLU A 44 6.058 15.965 -8.091 1.00 0.63 C ATOM 624 CG GLU A 44 6.229 14.976 -9.232 1.00 1.32 C ATOM 625 CD GLU A 44 5.132 15.093 -10.273 1.00 1.93 C ATOM 626 OE1 GLU A 44 4.057 14.489 -10.072 1.00 2.45 O ATOM 627 OE2 GLU A 44 5.348 15.789 -11.287 1.00 2.53 O ATOM 0 H GLU A 44 6.631 14.389 -5.759 1.00 0.51 H new ATOM 0 HA GLU A 44 8.132 16.161 -7.579 1.00 0.58 H new ATOM 0 HB2 GLU A 44 5.117 15.760 -7.581 1.00 0.63 H new ATOM 0 HB3 GLU A 44 5.985 16.972 -8.502 1.00 0.63 H new ATOM 0 HG2 GLU A 44 7.196 15.139 -9.708 1.00 1.32 H new ATOM 0 HG3 GLU A 44 6.238 13.962 -8.831 1.00 1.32 H new ATOM 634 N GLY A 45 8.004 17.687 -5.611 1.00 0.65 N ATOM 635 CA GLY A 45 7.882 18.690 -4.568 1.00 0.70 C ATOM 636 C GLY A 45 7.456 18.085 -3.246 1.00 0.81 C ATOM 637 O GLY A 45 8.254 17.438 -2.565 1.00 1.77 O ATOM 0 H GLY A 45 8.936 17.601 -6.017 1.00 0.65 H new ATOM 0 HA2 GLY A 45 8.837 19.200 -4.442 1.00 0.70 H new ATOM 0 HA3 GLY A 45 7.156 19.443 -4.873 1.00 0.70 H new ATOM 641 N LYS A 46 6.196 18.293 -2.880 1.00 0.68 N ATOM 642 CA LYS A 46 5.659 17.751 -1.636 1.00 0.64 C ATOM 643 C LYS A 46 4.507 16.798 -1.924 1.00 0.57 C ATOM 644 O LYS A 46 4.012 16.116 -1.025 1.00 0.60 O ATOM 645 CB LYS A 46 5.195 18.879 -0.713 1.00 0.69 C ATOM 646 CG LYS A 46 4.348 19.932 -1.412 1.00 1.50 C ATOM 647 CD LYS A 46 4.007 21.087 -0.483 1.00 1.65 C ATOM 648 CE LYS A 46 5.254 21.857 -0.069 1.00 2.57 C ATOM 649 NZ LYS A 46 4.926 23.031 0.785 1.00 3.15 N ATOM 0 H LYS A 46 5.526 18.834 -3.427 1.00 0.68 H new ATOM 0 HA LYS A 46 6.452 17.197 -1.134 1.00 0.64 H new ATOM 0 HB2 LYS A 46 4.621 18.451 0.109 1.00 0.69 H new ATOM 0 HB3 LYS A 46 6.069 19.361 -0.275 1.00 0.69 H new ATOM 0 HG2 LYS A 46 4.884 20.311 -2.282 1.00 1.50 H new ATOM 0 HG3 LYS A 46 3.428 19.475 -1.778 1.00 1.50 H new ATOM 0 HD2 LYS A 46 3.310 21.762 -0.980 1.00 1.65 H new ATOM 0 HD3 LYS A 46 3.503 20.705 0.405 1.00 1.65 H new ATOM 0 HE2 LYS A 46 5.928 21.192 0.472 1.00 2.57 H new ATOM 0 HE3 LYS A 46 5.785 22.193 -0.960 1.00 2.57 H new ATOM 0 HZ1 LYS A 46 5.802 23.527 1.045 1.00 3.15 H new ATOM 0 HZ2 LYS A 46 4.304 23.679 0.261 1.00 3.15 H new ATOM 0 HZ3 LYS A 46 4.442 22.709 1.647 1.00 3.15 H new ATOM 663 N LYS A 47 4.088 16.755 -3.183 1.00 0.55 N ATOM 664 CA LYS A 47 3.001 15.879 -3.601 1.00 0.52 C ATOM 665 C LYS A 47 3.555 14.584 -4.183 1.00 0.47 C ATOM 666 O LYS A 47 4.239 14.595 -5.207 1.00 0.53 O ATOM 667 CB LYS A 47 2.111 16.571 -4.637 1.00 0.61 C ATOM 668 CG LYS A 47 1.355 17.776 -4.098 1.00 1.25 C ATOM 669 CD LYS A 47 2.241 19.011 -4.014 1.00 1.65 C ATOM 670 CE LYS A 47 2.635 19.514 -5.394 1.00 2.25 C ATOM 671 NZ LYS A 47 1.447 19.903 -6.203 1.00 2.71 N ATOM 0 H LYS A 47 4.486 17.319 -3.934 1.00 0.55 H new ATOM 0 HA LYS A 47 2.399 15.647 -2.722 1.00 0.52 H new ATOM 0 HB2 LYS A 47 2.729 16.889 -5.477 1.00 0.61 H new ATOM 0 HB3 LYS A 47 1.393 15.848 -5.025 1.00 0.61 H new ATOM 0 HG2 LYS A 47 0.500 17.986 -4.741 1.00 1.25 H new ATOM 0 HG3 LYS A 47 0.960 17.544 -3.109 1.00 1.25 H new ATOM 0 HD2 LYS A 47 1.716 19.800 -3.475 1.00 1.65 H new ATOM 0 HD3 LYS A 47 3.139 18.777 -3.442 1.00 1.65 H new ATOM 0 HE2 LYS A 47 3.301 20.371 -5.292 1.00 2.25 H new ATOM 0 HE3 LYS A 47 3.193 18.738 -5.918 1.00 2.25 H new ATOM 0 HZ1 LYS A 47 1.748 20.511 -6.992 1.00 2.71 H new ATOM 0 HZ2 LYS A 47 0.988 19.049 -6.579 1.00 2.71 H new ATOM 0 HZ3 LYS A 47 0.774 20.422 -5.604 1.00 2.71 H new ATOM 685 N VAL A 48 3.260 13.471 -3.521 1.00 0.44 N ATOM 686 CA VAL A 48 3.726 12.171 -3.979 1.00 0.44 C ATOM 687 C VAL A 48 2.592 11.373 -4.608 1.00 0.43 C ATOM 688 O VAL A 48 1.478 11.347 -4.088 1.00 0.52 O ATOM 689 CB VAL A 48 4.342 11.353 -2.825 1.00 0.50 C ATOM 690 CG1 VAL A 48 3.321 11.095 -1.732 1.00 1.36 C ATOM 691 CG2 VAL A 48 4.919 10.044 -3.344 1.00 1.31 C ATOM 0 H VAL A 48 2.702 13.444 -2.668 1.00 0.44 H new ATOM 0 HA VAL A 48 4.495 12.357 -4.729 1.00 0.44 H new ATOM 0 HB VAL A 48 5.153 11.939 -2.393 1.00 0.50 H new ATOM 0 HG11 VAL A 48 3.783 10.517 -0.932 1.00 1.36 H new ATOM 0 HG12 VAL A 48 2.966 12.046 -1.334 1.00 1.36 H new ATOM 0 HG13 VAL A 48 2.480 10.537 -2.144 1.00 1.36 H new ATOM 0 HG21 VAL A 48 5.349 9.482 -2.515 1.00 1.31 H new ATOM 0 HG22 VAL A 48 4.127 9.457 -3.809 1.00 1.31 H new ATOM 0 HG23 VAL A 48 5.695 10.255 -4.080 1.00 1.31 H new ATOM 695 N LYS A 49 2.882 10.731 -5.732 1.00 0.43 N ATOM 696 CA LYS A 49 1.885 9.931 -6.425 1.00 0.44 C ATOM 697 C LYS A 49 2.205 8.448 -6.300 1.00 0.42 C ATOM 698 O LYS A 49 3.291 8.003 -6.668 1.00 0.44 O ATOM 699 CB LYS A 49 1.810 10.330 -7.898 1.00 0.51 C ATOM 700 CG LYS A 49 1.467 11.797 -8.108 1.00 1.22 C ATOM 701 CD LYS A 49 1.106 12.091 -9.556 1.00 1.35 C ATOM 702 CE LYS A 49 -0.310 11.639 -9.887 1.00 1.95 C ATOM 703 NZ LYS A 49 -0.407 10.160 -10.042 1.00 2.54 N ATOM 0 H LYS A 49 3.798 10.749 -6.181 1.00 0.43 H new ATOM 0 HA LYS A 49 0.916 10.117 -5.961 1.00 0.44 H new ATOM 0 HB2 LYS A 49 2.767 10.116 -8.374 1.00 0.51 H new ATOM 0 HB3 LYS A 49 1.061 9.714 -8.396 1.00 0.51 H new ATOM 0 HG2 LYS A 49 0.633 12.071 -7.463 1.00 1.22 H new ATOM 0 HG3 LYS A 49 2.315 12.415 -7.812 1.00 1.22 H new ATOM 0 HD2 LYS A 49 1.200 13.160 -9.744 1.00 1.35 H new ATOM 0 HD3 LYS A 49 1.812 11.588 -10.216 1.00 1.35 H new ATOM 0 HE2 LYS A 49 -0.987 11.965 -9.098 1.00 1.95 H new ATOM 0 HE3 LYS A 49 -0.638 12.121 -10.808 1.00 1.95 H new ATOM 0 HZ1 LYS A 49 -1.064 9.934 -10.816 1.00 2.54 H new ATOM 0 HZ2 LYS A 49 0.532 9.772 -10.261 1.00 2.54 H new ATOM 0 HZ3 LYS A 49 -0.757 9.740 -9.157 1.00 2.54 H new ATOM 717 N LEU A 50 1.249 7.692 -5.777 1.00 0.40 N ATOM 718 CA LEU A 50 1.418 6.258 -5.600 1.00 0.40 C ATOM 719 C LEU A 50 0.476 5.494 -6.520 1.00 0.36 C ATOM 720 O LEU A 50 -0.738 5.688 -6.477 1.00 0.38 O ATOM 721 CB LEU A 50 1.152 5.868 -4.144 1.00 0.48 C ATOM 722 CG LEU A 50 2.313 5.171 -3.429 1.00 0.74 C ATOM 723 CD1 LEU A 50 2.656 3.858 -4.115 1.00 1.34 C ATOM 724 CD2 LEU A 50 3.532 6.081 -3.377 1.00 1.69 C ATOM 0 H LEU A 50 0.346 8.051 -5.467 1.00 0.40 H new ATOM 0 HA LEU A 50 2.446 5.999 -5.855 1.00 0.40 H new ATOM 0 HB2 LEU A 50 0.891 6.768 -3.586 1.00 0.48 H new ATOM 0 HB3 LEU A 50 0.282 5.211 -4.114 1.00 0.48 H new ATOM 0 HG LEU A 50 2.003 4.952 -2.407 1.00 0.74 H new ATOM 0 HD11 LEU A 50 3.483 3.379 -3.591 1.00 1.34 H new ATOM 0 HD12 LEU A 50 1.787 3.201 -4.098 1.00 1.34 H new ATOM 0 HD13 LEU A 50 2.944 4.052 -5.148 1.00 1.34 H new ATOM 0 HD21 LEU A 50 4.347 5.569 -2.865 1.00 1.69 H new ATOM 0 HD22 LEU A 50 3.842 6.333 -4.391 1.00 1.69 H new ATOM 0 HD23 LEU A 50 3.282 6.994 -2.837 1.00 1.69 H new ATOM 730 N THR A 51 1.040 4.626 -7.350 1.00 0.36 N ATOM 731 CA THR A 51 0.239 3.839 -8.277 1.00 0.37 C ATOM 732 C THR A 51 0.511 2.349 -8.114 1.00 0.39 C ATOM 733 O THR A 51 1.660 1.907 -8.154 1.00 0.45 O ATOM 734 CB THR A 51 0.506 4.244 -9.740 1.00 0.47 C ATOM 735 OG1 THR A 51 0.275 5.647 -9.910 1.00 0.61 O ATOM 736 CG2 THR A 51 -0.391 3.462 -10.689 1.00 0.63 C ATOM 0 H THR A 51 2.043 4.450 -7.400 1.00 0.36 H new ATOM 0 HA THR A 51 -0.805 4.041 -8.039 1.00 0.37 H new ATOM 0 HB THR A 51 1.546 4.015 -9.973 1.00 0.47 H new ATOM 0 HG1 THR A 51 0.448 5.897 -10.842 1.00 0.61 H new ATOM 0 HG21 THR A 51 -0.185 3.764 -11.716 1.00 0.63 H new ATOM 0 HG22 THR A 51 -0.195 2.395 -10.578 1.00 0.63 H new ATOM 0 HG23 THR A 51 -1.435 3.666 -10.453 1.00 0.63 H new ATOM 741 N ILE A 52 -0.558 1.582 -7.926 1.00 0.41 N ATOM 742 CA ILE A 52 -0.451 0.140 -7.768 1.00 0.47 C ATOM 743 C ILE A 52 -1.406 -0.565 -8.723 1.00 0.56 C ATOM 744 O ILE A 52 -2.610 -0.311 -8.707 1.00 0.63 O ATOM 745 CB ILE A 52 -0.767 -0.293 -6.323 1.00 0.55 C ATOM 746 CG1 ILE A 52 0.103 0.486 -5.332 1.00 1.02 C ATOM 747 CG2 ILE A 52 -0.553 -1.792 -6.160 1.00 1.10 C ATOM 748 CD1 ILE A 52 -0.260 0.244 -3.881 1.00 1.76 C ATOM 0 H ILE A 52 -1.512 1.940 -7.880 1.00 0.41 H new ATOM 0 HA ILE A 52 0.577 -0.141 -7.997 1.00 0.47 H new ATOM 0 HB ILE A 52 -1.813 -0.070 -6.113 1.00 0.55 H new ATOM 0 HG12 ILE A 52 1.147 0.213 -5.486 1.00 1.02 H new ATOM 0 HG13 ILE A 52 0.017 1.551 -5.546 1.00 1.02 H new ATOM 0 HG21 ILE A 52 -0.780 -2.083 -5.134 1.00 1.10 H new ATOM 0 HG22 ILE A 52 -1.210 -2.330 -6.843 1.00 1.10 H new ATOM 0 HG23 ILE A 52 0.485 -2.038 -6.385 1.00 1.10 H new ATOM 0 HD11 ILE A 52 0.399 0.829 -3.239 1.00 1.76 H new ATOM 0 HD12 ILE A 52 -1.294 0.544 -3.710 1.00 1.76 H new ATOM 0 HD13 ILE A 52 -0.146 -0.815 -3.649 1.00 1.76 H new ATOM 752 N THR A 53 -0.869 -1.453 -9.555 1.00 0.63 N ATOM 753 CA THR A 53 -1.690 -2.173 -10.522 1.00 0.76 C ATOM 754 C THR A 53 -1.794 -3.655 -10.183 1.00 0.81 C ATOM 755 O THR A 53 -0.788 -4.323 -9.945 1.00 0.80 O ATOM 756 CB THR A 53 -1.123 -2.022 -11.947 1.00 0.85 C ATOM 757 OG1 THR A 53 -0.942 -0.636 -12.258 1.00 0.87 O ATOM 758 CG2 THR A 53 -2.051 -2.657 -12.973 1.00 1.00 C ATOM 0 H THR A 53 0.123 -1.690 -9.579 1.00 0.63 H new ATOM 0 HA THR A 53 -2.686 -1.733 -10.477 1.00 0.76 H new ATOM 0 HB THR A 53 -0.161 -2.534 -11.985 1.00 0.85 H new ATOM 0 HG1 THR A 53 -0.580 -0.549 -13.164 1.00 0.87 H new ATOM 0 HG21 THR A 53 -1.628 -2.537 -13.970 1.00 1.00 H new ATOM 0 HG22 THR A 53 -2.165 -3.718 -12.753 1.00 1.00 H new ATOM 0 HG23 THR A 53 -3.026 -2.171 -12.932 1.00 1.00 H new ATOM 763 N TYR A 54 -3.024 -4.157 -10.163 1.00 0.93 N ATOM 764 CA TYR A 54 -3.280 -5.563 -9.874 1.00 1.04 C ATOM 765 C TYR A 54 -4.021 -6.226 -11.029 1.00 1.18 C ATOM 766 O TYR A 54 -5.200 -5.953 -11.259 1.00 1.53 O ATOM 767 CB TYR A 54 -4.090 -5.708 -8.584 1.00 1.11 C ATOM 768 CG TYR A 54 -3.270 -5.547 -7.324 1.00 1.63 C ATOM 769 CD1 TYR A 54 -2.324 -6.498 -6.965 1.00 1.53 C ATOM 770 CD2 TYR A 54 -3.445 -4.448 -6.491 1.00 2.57 C ATOM 771 CE1 TYR A 54 -1.574 -6.359 -5.813 1.00 2.31 C ATOM 772 CE2 TYR A 54 -2.699 -4.303 -5.337 1.00 3.42 C ATOM 773 CZ TYR A 54 -1.765 -5.261 -5.003 1.00 3.28 C ATOM 774 OH TYR A 54 -1.021 -5.120 -3.855 1.00 4.18 O ATOM 0 H TYR A 54 -3.864 -3.607 -10.345 1.00 0.93 H new ATOM 0 HA TYR A 54 -2.319 -6.060 -9.745 1.00 1.04 H new ATOM 0 HB2 TYR A 54 -4.889 -4.966 -8.583 1.00 1.11 H new ATOM 0 HB3 TYR A 54 -4.565 -6.689 -8.573 1.00 1.11 H new ATOM 0 HD1 TYR A 54 -2.172 -7.361 -7.597 1.00 1.53 H new ATOM 0 HD2 TYR A 54 -4.175 -3.696 -6.750 1.00 2.57 H new ATOM 0 HE1 TYR A 54 -0.842 -7.107 -5.549 1.00 2.31 H new ATOM 0 HE2 TYR A 54 -2.847 -3.444 -4.700 1.00 3.42 H new ATOM 0 HH TYR A 54 -1.277 -4.292 -3.399 1.00 4.18 H new ATOM 784 N GLY A 55 -3.328 -7.097 -11.754 1.00 1.09 N ATOM 785 CA GLY A 55 -3.943 -7.788 -12.875 1.00 1.20 C ATOM 786 C GLY A 55 -4.284 -6.855 -14.024 1.00 1.22 C ATOM 787 O GLY A 55 -3.512 -6.729 -14.975 1.00 2.00 O ATOM 0 H GLY A 55 -2.351 -7.338 -11.586 1.00 1.09 H new ATOM 0 HA2 GLY A 55 -3.267 -8.565 -13.232 1.00 1.20 H new ATOM 0 HA3 GLY A 55 -4.851 -8.286 -12.535 1.00 1.20 H new ATOM 791 N SER A 56 -5.441 -6.202 -13.938 1.00 0.89 N ATOM 792 CA SER A 56 -5.879 -5.285 -14.986 1.00 1.23 C ATOM 793 C SER A 56 -6.511 -4.029 -14.390 1.00 1.14 C ATOM 794 O SER A 56 -7.201 -3.281 -15.083 1.00 1.30 O ATOM 795 CB SER A 56 -6.877 -5.984 -15.914 1.00 1.66 C ATOM 796 OG SER A 56 -7.255 -5.139 -16.988 1.00 2.20 O ATOM 0 H SER A 56 -6.090 -6.291 -13.156 1.00 0.89 H new ATOM 0 HA SER A 56 -5.003 -4.985 -15.561 1.00 1.23 H new ATOM 0 HB2 SER A 56 -6.434 -6.899 -16.306 1.00 1.66 H new ATOM 0 HB3 SER A 56 -7.762 -6.275 -15.348 1.00 1.66 H new ATOM 0 HG SER A 56 -7.404 -4.230 -16.653 1.00 2.20 H new ATOM 802 N LYS A 57 -6.268 -3.799 -13.103 1.00 0.92 N ATOM 803 CA LYS A 57 -6.812 -2.629 -12.421 1.00 0.86 C ATOM 804 C LYS A 57 -5.696 -1.696 -11.968 1.00 0.77 C ATOM 805 O LYS A 57 -4.706 -2.134 -11.384 1.00 0.77 O ATOM 806 CB LYS A 57 -7.649 -3.047 -11.215 1.00 0.89 C ATOM 807 CG LYS A 57 -8.178 -1.871 -10.408 1.00 0.91 C ATOM 808 CD LYS A 57 -9.091 -2.341 -9.291 1.00 1.02 C ATOM 809 CE LYS A 57 -10.464 -2.730 -9.817 1.00 1.79 C ATOM 810 NZ LYS A 57 -11.159 -1.586 -10.466 1.00 2.51 N ATOM 0 H LYS A 57 -5.699 -4.406 -12.512 1.00 0.92 H new ATOM 0 HA LYS A 57 -7.449 -2.100 -13.130 1.00 0.86 H new ATOM 0 HB2 LYS A 57 -8.490 -3.650 -11.558 1.00 0.89 H new ATOM 0 HB3 LYS A 57 -7.045 -3.681 -10.566 1.00 0.89 H new ATOM 0 HG2 LYS A 57 -7.343 -1.310 -9.988 1.00 0.91 H new ATOM 0 HG3 LYS A 57 -8.721 -1.191 -11.064 1.00 0.91 H new ATOM 0 HD2 LYS A 57 -8.639 -3.194 -8.786 1.00 1.02 H new ATOM 0 HD3 LYS A 57 -9.196 -1.550 -8.549 1.00 1.02 H new ATOM 0 HE2 LYS A 57 -10.360 -3.544 -10.534 1.00 1.79 H new ATOM 0 HE3 LYS A 57 -11.074 -3.105 -8.995 1.00 1.79 H new ATOM 0 HZ1 LYS A 57 -12.183 -1.769 -10.488 1.00 2.51 H new ATOM 0 HZ2 LYS A 57 -10.975 -0.716 -9.926 1.00 2.51 H new ATOM 0 HZ3 LYS A 57 -10.806 -1.472 -11.438 1.00 2.51 H new ATOM 824 N VAL A 58 -5.862 -0.406 -12.240 1.00 0.75 N ATOM 825 CA VAL A 58 -4.872 0.589 -11.851 1.00 0.70 C ATOM 826 C VAL A 58 -5.404 1.463 -10.721 1.00 0.63 C ATOM 827 O VAL A 58 -6.484 2.044 -10.828 1.00 0.66 O ATOM 828 CB VAL A 58 -4.470 1.481 -13.041 1.00 0.76 C ATOM 829 CG1 VAL A 58 -3.433 2.511 -12.618 1.00 1.38 C ATOM 830 CG2 VAL A 58 -3.946 0.633 -14.188 1.00 1.31 C ATOM 0 H VAL A 58 -6.673 -0.026 -12.728 1.00 0.75 H new ATOM 0 HA VAL A 58 -3.989 0.049 -11.508 1.00 0.70 H new ATOM 0 HB VAL A 58 -5.357 2.014 -13.384 1.00 0.76 H new ATOM 0 HG11 VAL A 58 -3.164 3.130 -13.474 1.00 1.38 H new ATOM 0 HG12 VAL A 58 -3.846 3.141 -11.831 1.00 1.38 H new ATOM 0 HG13 VAL A 58 -2.545 2.001 -12.246 1.00 1.38 H new ATOM 0 HG21 VAL A 58 -3.667 1.279 -15.020 1.00 1.31 H new ATOM 0 HG22 VAL A 58 -3.073 0.071 -13.856 1.00 1.31 H new ATOM 0 HG23 VAL A 58 -4.722 -0.061 -14.512 1.00 1.31 H new ATOM 834 N ILE A 59 -4.638 1.552 -9.639 1.00 0.59 N ATOM 835 CA ILE A 59 -5.029 2.352 -8.488 1.00 0.56 C ATOM 836 C ILE A 59 -4.097 3.545 -8.311 1.00 0.50 C ATOM 837 O ILE A 59 -2.902 3.380 -8.067 1.00 0.48 O ATOM 838 CB ILE A 59 -5.030 1.510 -7.194 1.00 0.62 C ATOM 839 CG1 ILE A 59 -5.982 0.317 -7.331 1.00 0.89 C ATOM 840 CG2 ILE A 59 -5.413 2.369 -5.996 1.00 0.79 C ATOM 841 CD1 ILE A 59 -7.426 0.708 -7.570 1.00 1.60 C ATOM 0 H ILE A 59 -3.741 1.078 -9.537 1.00 0.59 H new ATOM 0 HA ILE A 59 -6.041 2.711 -8.676 1.00 0.56 H new ATOM 0 HB ILE A 59 -4.022 1.128 -7.031 1.00 0.62 H new ATOM 0 HG12 ILE A 59 -5.645 -0.311 -8.155 1.00 0.89 H new ATOM 0 HG13 ILE A 59 -5.925 -0.287 -6.425 1.00 0.89 H new ATOM 0 HG21 ILE A 59 -5.408 1.758 -5.094 1.00 0.79 H new ATOM 0 HG22 ILE A 59 -4.696 3.182 -5.887 1.00 0.79 H new ATOM 0 HG23 ILE A 59 -6.410 2.783 -6.149 1.00 0.79 H new ATOM 0 HD11 ILE A 59 -8.037 -0.191 -7.656 1.00 1.60 H new ATOM 0 HD12 ILE A 59 -7.783 1.311 -6.735 1.00 1.60 H new ATOM 0 HD13 ILE A 59 -7.499 1.286 -8.491 1.00 1.60 H new ATOM 845 N HIS A 60 -4.650 4.744 -8.440 1.00 0.50 N ATOM 846 CA HIS A 60 -3.866 5.966 -8.296 1.00 0.48 C ATOM 847 C HIS A 60 -4.282 6.750 -7.054 1.00 0.49 C ATOM 848 O HIS A 60 -5.469 6.970 -6.816 1.00 0.57 O ATOM 849 CB HIS A 60 -4.016 6.846 -9.540 1.00 0.55 C ATOM 850 CG HIS A 60 -5.430 7.250 -9.825 1.00 1.14 C ATOM 851 ND1 HIS A 60 -5.978 8.434 -9.378 1.00 1.39 N ATOM 852 CD2 HIS A 60 -6.410 6.622 -10.518 1.00 2.15 C ATOM 853 CE1 HIS A 60 -7.234 8.515 -9.784 1.00 2.24 C ATOM 854 NE2 HIS A 60 -7.519 7.430 -10.477 1.00 2.74 N ATOM 0 H HIS A 60 -5.638 4.898 -8.644 1.00 0.50 H new ATOM 0 HA HIS A 60 -2.821 5.677 -8.184 1.00 0.48 H new ATOM 0 HB2 HIS A 60 -3.409 7.743 -9.415 1.00 0.55 H new ATOM 0 HB3 HIS A 60 -3.619 6.311 -10.403 1.00 0.55 H new ATOM 0 HD2 HIS A 60 -6.333 5.664 -11.011 1.00 2.15 H new ATOM 0 HE1 HIS A 60 -7.912 9.331 -9.582 1.00 2.24 H new ATOM 0 HE2 HIS A 60 -8.418 7.224 -10.912 1.00 2.74 H new ATOM 863 N ASN A 61 -3.294 7.166 -6.267 1.00 0.45 N ATOM 864 CA ASN A 61 -3.548 7.929 -5.049 1.00 0.50 C ATOM 865 C ASN A 61 -2.361 8.827 -4.718 1.00 0.47 C ATOM 866 O ASN A 61 -1.241 8.352 -4.552 1.00 0.69 O ATOM 867 CB ASN A 61 -3.832 6.993 -3.874 1.00 0.58 C ATOM 868 CG ASN A 61 -5.091 6.171 -4.077 1.00 0.86 C ATOM 869 OD1 ASN A 61 -5.043 5.063 -4.609 1.00 1.79 O ATOM 870 ND2 ASN A 61 -6.227 6.714 -3.655 1.00 1.01 N ATOM 0 H ASN A 61 -2.307 6.987 -6.452 1.00 0.45 H new ATOM 0 HA ASN A 61 -4.425 8.553 -5.222 1.00 0.50 H new ATOM 0 HB2 ASN A 61 -2.983 6.323 -3.734 1.00 0.58 H new ATOM 0 HB3 ASN A 61 -3.929 7.580 -2.961 1.00 0.58 H new ATOM 0 HD21 ASN A 61 -7.106 6.209 -3.767 1.00 1.01 H new ATOM 0 HD22 ASN A 61 -6.220 7.636 -3.219 1.00 1.01 H new ATOM 875 N GLU A 62 -2.620 10.127 -4.618 1.00 0.49 N ATOM 876 CA GLU A 62 -1.572 11.097 -4.312 1.00 0.50 C ATOM 877 C GLU A 62 -1.831 11.764 -2.964 1.00 0.49 C ATOM 878 O GLU A 62 -2.979 12.026 -2.605 1.00 0.57 O ATOM 879 CB GLU A 62 -1.493 12.154 -5.414 1.00 0.69 C ATOM 880 CG GLU A 62 -2.809 12.875 -5.661 1.00 1.45 C ATOM 881 CD GLU A 62 -2.777 13.739 -6.907 1.00 1.63 C ATOM 882 OE1 GLU A 62 -2.330 14.902 -6.811 1.00 1.80 O ATOM 883 OE2 GLU A 62 -3.198 13.254 -7.977 1.00 2.01 O ATOM 0 H GLU A 62 -3.547 10.534 -4.744 1.00 0.49 H new ATOM 0 HA GLU A 62 -0.620 10.568 -4.259 1.00 0.50 H new ATOM 0 HB2 GLU A 62 -0.731 12.887 -5.149 1.00 0.69 H new ATOM 0 HB3 GLU A 62 -1.170 11.678 -6.340 1.00 0.69 H new ATOM 0 HG2 GLU A 62 -3.609 12.141 -5.753 1.00 1.45 H new ATOM 0 HG3 GLU A 62 -3.045 13.497 -4.798 1.00 1.45 H new ATOM 890 N PHE A 63 -0.760 12.036 -2.218 1.00 0.44 N ATOM 891 CA PHE A 63 -0.894 12.670 -0.910 1.00 0.45 C ATOM 892 C PHE A 63 0.293 13.576 -0.611 1.00 0.44 C ATOM 893 O PHE A 63 1.403 13.347 -1.089 1.00 0.45 O ATOM 894 CB PHE A 63 -1.048 11.609 0.187 1.00 0.49 C ATOM 895 CG PHE A 63 -0.405 10.289 -0.139 1.00 0.70 C ATOM 896 CD1 PHE A 63 -1.086 9.334 -0.879 1.00 1.10 C ATOM 897 CD2 PHE A 63 0.879 10.002 0.294 1.00 0.98 C ATOM 898 CE1 PHE A 63 -0.498 8.119 -1.179 1.00 1.54 C ATOM 899 CE2 PHE A 63 1.472 8.790 -0.003 1.00 1.45 C ATOM 900 CZ PHE A 63 0.783 7.849 -0.741 1.00 1.66 C ATOM 0 H PHE A 63 0.200 11.829 -2.495 1.00 0.44 H new ATOM 0 HA PHE A 63 -1.791 13.288 -0.928 1.00 0.45 H new ATOM 0 HB2 PHE A 63 -0.616 11.993 1.111 1.00 0.49 H new ATOM 0 HB3 PHE A 63 -2.110 11.447 0.374 1.00 0.49 H new ATOM 0 HD1 PHE A 63 -2.088 9.542 -1.225 1.00 1.10 H new ATOM 0 HD2 PHE A 63 1.423 10.735 0.871 1.00 0.98 H new ATOM 0 HE1 PHE A 63 -1.040 7.383 -1.755 1.00 1.54 H new ATOM 0 HE2 PHE A 63 2.473 8.579 0.342 1.00 1.45 H new ATOM 0 HZ PHE A 63 1.246 6.902 -0.976 1.00 1.66 H new ATOM 910 N THR A 64 0.046 14.615 0.181 1.00 0.47 N ATOM 911 CA THR A 64 1.085 15.570 0.545 1.00 0.49 C ATOM 912 C THR A 64 1.682 15.243 1.910 1.00 0.49 C ATOM 913 O THR A 64 0.954 15.019 2.878 1.00 0.55 O ATOM 914 CB THR A 64 0.541 17.010 0.564 1.00 0.57 C ATOM 915 OG1 THR A 64 -0.067 17.320 -0.695 1.00 0.62 O ATOM 916 CG2 THR A 64 1.652 18.008 0.854 1.00 0.62 C ATOM 0 H THR A 64 -0.869 14.817 0.584 1.00 0.47 H new ATOM 0 HA THR A 64 1.864 15.494 -0.214 1.00 0.49 H new ATOM 0 HB THR A 64 -0.204 17.081 1.356 1.00 0.57 H new ATOM 0 HG1 THR A 64 -0.412 18.237 -0.675 1.00 0.62 H new ATOM 0 HG21 THR A 64 1.241 19.018 0.862 1.00 0.62 H new ATOM 0 HG22 THR A 64 2.094 17.788 1.826 1.00 0.62 H new ATOM 0 HG23 THR A 64 2.418 17.934 0.082 1.00 0.62 H new ATOM 921 N LEU A 65 3.008 15.213 1.976 1.00 0.47 N ATOM 922 CA LEU A 65 3.709 14.915 3.220 1.00 0.50 C ATOM 923 C LEU A 65 3.312 15.898 4.318 1.00 0.53 C ATOM 924 O LEU A 65 3.151 17.092 4.068 1.00 0.99 O ATOM 925 CB LEU A 65 5.222 14.960 3.000 1.00 0.72 C ATOM 926 CG LEU A 65 5.749 14.007 1.922 1.00 1.05 C ATOM 927 CD1 LEU A 65 7.228 14.256 1.670 1.00 1.57 C ATOM 928 CD2 LEU A 65 5.514 12.560 2.329 1.00 1.42 C ATOM 0 H LEU A 65 3.621 15.392 1.181 1.00 0.47 H new ATOM 0 HA LEU A 65 3.425 13.912 3.537 1.00 0.50 H new ATOM 0 HB2 LEU A 65 5.505 15.978 2.733 1.00 0.72 H new ATOM 0 HB3 LEU A 65 5.718 14.728 3.942 1.00 0.72 H new ATOM 0 HG LEU A 65 5.204 14.197 0.997 1.00 1.05 H new ATOM 0 HD11 LEU A 65 7.587 13.571 0.902 1.00 1.57 H new ATOM 0 HD12 LEU A 65 7.372 15.283 1.336 1.00 1.57 H new ATOM 0 HD13 LEU A 65 7.787 14.092 2.592 1.00 1.57 H new ATOM 0 HD21 LEU A 65 5.894 11.897 1.552 1.00 1.42 H new ATOM 0 HD22 LEU A 65 6.033 12.357 3.266 1.00 1.42 H new ATOM 0 HD23 LEU A 65 4.446 12.388 2.462 1.00 1.42 H new ATOM 934 N GLY A 66 3.158 15.385 5.535 1.00 0.46 N ATOM 935 CA GLY A 66 2.779 16.226 6.654 1.00 0.60 C ATOM 936 C GLY A 66 1.439 16.904 6.448 1.00 0.61 C ATOM 937 O GLY A 66 1.312 18.112 6.649 1.00 0.80 O ATOM 0 H GLY A 66 3.289 14.400 5.765 1.00 0.46 H new ATOM 0 HA2 GLY A 66 2.741 15.622 7.561 1.00 0.60 H new ATOM 0 HA3 GLY A 66 3.546 16.985 6.809 1.00 0.60 H new ATOM 941 N GLU A 67 0.436 16.127 6.045 1.00 0.54 N ATOM 942 CA GLU A 67 -0.901 16.663 5.814 1.00 0.57 C ATOM 943 C GLU A 67 -1.926 15.540 5.669 1.00 0.55 C ATOM 944 O GLU A 67 -1.631 14.486 5.105 1.00 0.55 O ATOM 945 CB GLU A 67 -0.912 17.541 4.560 1.00 0.60 C ATOM 946 CG GLU A 67 -2.256 18.196 4.284 1.00 1.30 C ATOM 947 CD GLU A 67 -2.657 19.183 5.362 1.00 1.85 C ATOM 948 OE1 GLU A 67 -2.302 20.373 5.240 1.00 2.14 O ATOM 949 OE2 GLU A 67 -3.328 18.763 6.330 1.00 2.66 O ATOM 0 H GLU A 67 0.525 15.126 5.872 1.00 0.54 H new ATOM 0 HA GLU A 67 -1.173 17.268 6.679 1.00 0.57 H new ATOM 0 HB2 GLU A 67 -0.154 18.317 4.664 1.00 0.60 H new ATOM 0 HB3 GLU A 67 -0.630 16.934 3.700 1.00 0.60 H new ATOM 0 HG2 GLU A 67 -2.215 18.710 3.324 1.00 1.30 H new ATOM 0 HG3 GLU A 67 -3.021 17.424 4.200 1.00 1.30 H new ATOM 956 N GLU A 68 -3.131 15.776 6.179 1.00 0.60 N ATOM 957 CA GLU A 68 -4.204 14.788 6.108 1.00 0.61 C ATOM 958 C GLU A 68 -4.834 14.766 4.717 1.00 0.63 C ATOM 959 O GLU A 68 -5.367 15.772 4.253 1.00 0.71 O ATOM 960 CB GLU A 68 -5.275 15.094 7.156 1.00 0.71 C ATOM 961 CG GLU A 68 -6.357 14.028 7.249 1.00 0.74 C ATOM 962 CD GLU A 68 -7.345 14.296 8.368 1.00 1.01 C ATOM 963 OE1 GLU A 68 -8.256 15.126 8.170 1.00 1.05 O ATOM 964 OE2 GLU A 68 -7.208 13.673 9.442 1.00 1.32 O ATOM 0 H GLU A 68 -3.390 16.645 6.647 1.00 0.60 H new ATOM 0 HA GLU A 68 -3.774 13.807 6.309 1.00 0.61 H new ATOM 0 HB2 GLU A 68 -4.798 15.202 8.130 1.00 0.71 H new ATOM 0 HB3 GLU A 68 -5.739 16.052 6.920 1.00 0.71 H new ATOM 0 HG2 GLU A 68 -6.893 13.976 6.301 1.00 0.74 H new ATOM 0 HG3 GLU A 68 -5.891 13.055 7.406 1.00 0.74 H new ATOM 971 N CYS A 69 -4.767 13.612 4.058 1.00 0.61 N ATOM 972 CA CYS A 69 -5.334 13.459 2.723 1.00 0.67 C ATOM 973 C CYS A 69 -6.432 12.401 2.721 1.00 0.67 C ATOM 974 O CYS A 69 -6.469 11.534 3.591 1.00 0.64 O ATOM 975 CB CYS A 69 -4.245 13.079 1.720 1.00 0.73 C ATOM 976 SG CYS A 69 -2.826 14.198 1.713 1.00 1.86 S ATOM 0 H CYS A 69 -4.326 12.770 4.427 1.00 0.61 H new ATOM 0 HA CYS A 69 -5.769 14.414 2.429 1.00 0.67 H new ATOM 0 HB2 CYS A 69 -3.897 12.070 1.942 1.00 0.73 H new ATOM 0 HB3 CYS A 69 -4.679 13.054 0.721 1.00 0.73 H new ATOM 0 HG CYS A 69 -2.370 14.328 2.923 1.00 1.86 H new ATOM 982 N GLU A 70 -7.323 12.480 1.741 1.00 0.75 N ATOM 983 CA GLU A 70 -8.422 11.526 1.635 1.00 0.77 C ATOM 984 C GLU A 70 -8.320 10.709 0.351 1.00 0.81 C ATOM 985 O GLU A 70 -8.337 11.257 -0.751 1.00 0.87 O ATOM 986 CB GLU A 70 -9.766 12.256 1.681 1.00 0.84 C ATOM 987 CG GLU A 70 -10.964 11.322 1.751 1.00 0.91 C ATOM 988 CD GLU A 70 -12.281 12.069 1.833 1.00 1.22 C ATOM 989 OE1 GLU A 70 -12.651 12.497 2.947 1.00 1.25 O ATOM 990 OE2 GLU A 70 -12.940 12.227 0.785 1.00 1.71 O ATOM 0 H GLU A 70 -7.308 13.191 1.010 1.00 0.75 H new ATOM 0 HA GLU A 70 -8.355 10.844 2.482 1.00 0.77 H new ATOM 0 HB2 GLU A 70 -9.781 12.918 2.547 1.00 0.84 H new ATOM 0 HB3 GLU A 70 -9.858 12.886 0.796 1.00 0.84 H new ATOM 0 HG2 GLU A 70 -10.970 10.678 0.872 1.00 0.91 H new ATOM 0 HG3 GLU A 70 -10.864 10.673 2.621 1.00 0.91 H new ATOM 997 N LEU A 71 -8.210 9.392 0.504 1.00 0.83 N ATOM 998 CA LEU A 71 -8.115 8.490 -0.636 1.00 0.91 C ATOM 999 C LEU A 71 -9.265 7.494 -0.636 1.00 0.94 C ATOM 1000 O LEU A 71 -9.728 7.060 0.418 1.00 0.96 O ATOM 1001 CB LEU A 71 -6.781 7.743 -0.619 1.00 0.99 C ATOM 1002 CG LEU A 71 -6.485 6.962 0.661 1.00 1.28 C ATOM 1003 CD1 LEU A 71 -5.576 5.780 0.367 1.00 1.90 C ATOM 1004 CD2 LEU A 71 -5.850 7.874 1.702 1.00 1.91 C ATOM 0 H LEU A 71 -8.185 8.926 1.411 1.00 0.83 H new ATOM 0 HA LEU A 71 -8.174 9.090 -1.544 1.00 0.91 H new ATOM 0 HB2 LEU A 71 -6.761 7.050 -1.460 1.00 0.99 H new ATOM 0 HB3 LEU A 71 -5.978 8.463 -0.779 1.00 0.99 H new ATOM 0 HG LEU A 71 -7.426 6.582 1.059 1.00 1.28 H new ATOM 0 HD11 LEU A 71 -5.376 5.236 1.290 1.00 1.90 H new ATOM 0 HD12 LEU A 71 -6.062 5.116 -0.348 1.00 1.90 H new ATOM 0 HD13 LEU A 71 -4.636 6.139 -0.053 1.00 1.90 H new ATOM 0 HD21 LEU A 71 -5.645 7.304 2.608 1.00 1.91 H new ATOM 0 HD22 LEU A 71 -4.918 8.280 1.310 1.00 1.91 H new ATOM 0 HD23 LEU A 71 -6.532 8.692 1.934 1.00 1.91 H new ATOM 1010 N GLU A 72 -9.716 7.134 -1.830 1.00 0.99 N ATOM 1011 CA GLU A 72 -10.813 6.190 -1.983 1.00 1.05 C ATOM 1012 C GLU A 72 -10.298 4.753 -1.953 1.00 1.11 C ATOM 1013 O GLU A 72 -9.377 4.395 -2.688 1.00 1.19 O ATOM 1014 CB GLU A 72 -11.561 6.474 -3.293 1.00 1.13 C ATOM 1015 CG GLU A 72 -12.069 5.230 -4.001 1.00 1.52 C ATOM 1016 CD GLU A 72 -12.887 5.551 -5.236 1.00 1.73 C ATOM 1017 OE1 GLU A 72 -12.289 5.952 -6.258 1.00 1.82 O ATOM 1018 OE2 GLU A 72 -14.127 5.406 -5.182 1.00 2.11 O ATOM 0 H GLU A 72 -9.337 7.484 -2.710 1.00 0.99 H new ATOM 0 HA GLU A 72 -11.504 6.313 -1.149 1.00 1.05 H new ATOM 0 HB2 GLU A 72 -12.406 7.129 -3.081 1.00 1.13 H new ATOM 0 HB3 GLU A 72 -10.898 7.017 -3.967 1.00 1.13 H new ATOM 0 HG2 GLU A 72 -11.221 4.607 -4.284 1.00 1.52 H new ATOM 0 HG3 GLU A 72 -12.677 4.646 -3.310 1.00 1.52 H new ATOM 1025 N THR A 73 -10.898 3.935 -1.091 1.00 1.12 N ATOM 1026 CA THR A 73 -10.505 2.536 -0.960 1.00 1.22 C ATOM 1027 C THR A 73 -11.210 1.667 -1.995 1.00 1.35 C ATOM 1028 O THR A 73 -12.021 2.156 -2.781 1.00 1.38 O ATOM 1029 CB THR A 73 -10.821 1.989 0.446 1.00 1.24 C ATOM 1030 OG1 THR A 73 -12.213 2.159 0.738 1.00 1.76 O ATOM 1031 CG2 THR A 73 -9.986 2.698 1.501 1.00 1.63 C ATOM 0 H THR A 73 -11.658 4.218 -0.473 1.00 1.12 H new ATOM 0 HA THR A 73 -9.428 2.497 -1.125 1.00 1.22 H new ATOM 0 HB THR A 73 -10.575 0.927 0.463 1.00 1.24 H new ATOM 0 HG1 THR A 73 -12.410 3.113 0.848 1.00 1.76 H new ATOM 0 HG21 THR A 73 -10.226 2.296 2.485 1.00 1.63 H new ATOM 0 HG22 THR A 73 -8.928 2.542 1.293 1.00 1.63 H new ATOM 0 HG23 THR A 73 -10.206 3.765 1.482 1.00 1.63 H new ATOM 1036 N MET A 74 -10.892 0.376 -1.990 1.00 1.45 N ATOM 1037 CA MET A 74 -11.498 -0.564 -2.926 1.00 1.60 C ATOM 1038 C MET A 74 -13.002 -0.653 -2.695 1.00 1.65 C ATOM 1039 O MET A 74 -13.781 -0.769 -3.641 1.00 1.81 O ATOM 1040 CB MET A 74 -10.855 -1.947 -2.778 1.00 1.70 C ATOM 1041 CG MET A 74 -11.245 -2.930 -3.873 1.00 2.32 C ATOM 1042 SD MET A 74 -12.876 -3.655 -3.617 1.00 3.10 S ATOM 1043 CE MET A 74 -12.988 -4.753 -5.030 1.00 3.79 C ATOM 0 H MET A 74 -10.218 -0.043 -1.348 1.00 1.45 H new ATOM 0 HA MET A 74 -11.325 -0.203 -3.940 1.00 1.60 H new ATOM 0 HB2 MET A 74 -9.771 -1.834 -2.774 1.00 1.70 H new ATOM 0 HB3 MET A 74 -11.135 -2.365 -1.811 1.00 1.70 H new ATOM 0 HG2 MET A 74 -11.227 -2.419 -4.836 1.00 2.32 H new ATOM 0 HG3 MET A 74 -10.502 -3.726 -3.921 1.00 2.32 H new ATOM 0 HE1 MET A 74 -13.945 -5.274 -5.011 1.00 3.79 H new ATOM 0 HE2 MET A 74 -12.910 -4.172 -5.949 1.00 3.79 H new ATOM 0 HE3 MET A 74 -12.178 -5.481 -4.990 1.00 3.79 H new ATOM 1053 N THR A 75 -13.403 -0.590 -1.427 1.00 1.57 N ATOM 1054 CA THR A 75 -14.814 -0.659 -1.065 1.00 1.67 C ATOM 1055 C THR A 75 -15.575 0.544 -1.606 1.00 1.56 C ATOM 1056 O THR A 75 -16.803 0.522 -1.710 1.00 1.74 O ATOM 1057 CB THR A 75 -14.999 -0.716 0.463 1.00 1.89 C ATOM 1058 OG1 THR A 75 -14.535 0.501 1.060 1.00 2.23 O ATOM 1059 CG2 THR A 75 -14.245 -1.895 1.061 1.00 2.00 C ATOM 0 H THR A 75 -12.769 -0.491 -0.634 1.00 1.57 H new ATOM 0 HA THR A 75 -15.211 -1.572 -1.508 1.00 1.67 H new ATOM 0 HB THR A 75 -16.062 -0.842 0.669 1.00 1.89 H new ATOM 0 HG1 THR A 75 -13.657 0.732 0.691 1.00 2.23 H new ATOM 0 HG21 THR A 75 -14.393 -1.911 2.141 1.00 2.00 H new ATOM 0 HG22 THR A 75 -14.620 -2.823 0.629 1.00 2.00 H new ATOM 0 HG23 THR A 75 -13.182 -1.796 0.842 1.00 2.00 H new ATOM 1064 N GLY A 76 -14.836 1.593 -1.953 1.00 1.40 N ATOM 1065 CA GLY A 76 -15.451 2.800 -2.474 1.00 1.47 C ATOM 1066 C GLY A 76 -15.633 3.852 -1.399 1.00 1.35 C ATOM 1067 O GLY A 76 -16.070 4.969 -1.681 1.00 1.39 O ATOM 0 H GLY A 76 -13.819 1.628 -1.882 1.00 1.40 H new ATOM 0 HA2 GLY A 76 -14.834 3.204 -3.276 1.00 1.47 H new ATOM 0 HA3 GLY A 76 -16.420 2.555 -2.909 1.00 1.47 H new ATOM 1071 N GLU A 77 -15.292 3.494 -0.166 1.00 1.28 N ATOM 1072 CA GLU A 77 -15.418 4.407 0.962 1.00 1.22 C ATOM 1073 C GLU A 77 -14.245 5.381 1.005 1.00 1.12 C ATOM 1074 O GLU A 77 -13.112 5.019 0.686 1.00 1.11 O ATOM 1075 CB GLU A 77 -15.494 3.617 2.273 1.00 1.28 C ATOM 1076 CG GLU A 77 -15.604 4.495 3.508 1.00 1.30 C ATOM 1077 CD GLU A 77 -15.750 3.688 4.784 1.00 1.60 C ATOM 1078 OE1 GLU A 77 -16.880 3.250 5.083 1.00 1.66 O ATOM 1079 OE2 GLU A 77 -14.732 3.493 5.483 1.00 1.94 O ATOM 0 H GLU A 77 -14.925 2.574 0.077 1.00 1.28 H new ATOM 0 HA GLU A 77 -16.336 4.981 0.838 1.00 1.22 H new ATOM 0 HB2 GLU A 77 -16.354 2.949 2.235 1.00 1.28 H new ATOM 0 HB3 GLU A 77 -14.607 2.990 2.361 1.00 1.28 H new ATOM 0 HG2 GLU A 77 -14.719 5.126 3.581 1.00 1.30 H new ATOM 0 HG3 GLU A 77 -16.462 5.159 3.402 1.00 1.30 H new ATOM 1086 N LYS A 78 -14.526 6.619 1.399 1.00 1.12 N ATOM 1087 CA LYS A 78 -13.497 7.647 1.482 1.00 1.06 C ATOM 1088 C LYS A 78 -12.893 7.703 2.882 1.00 0.97 C ATOM 1089 O LYS A 78 -13.597 7.958 3.860 1.00 1.03 O ATOM 1090 CB LYS A 78 -14.084 9.012 1.116 1.00 1.19 C ATOM 1091 CG LYS A 78 -14.837 9.021 -0.205 1.00 1.29 C ATOM 1092 CD LYS A 78 -13.919 8.720 -1.378 1.00 1.78 C ATOM 1093 CE LYS A 78 -14.660 8.807 -2.702 1.00 2.39 C ATOM 1094 NZ LYS A 78 -15.203 10.171 -2.946 1.00 2.94 N ATOM 0 H LYS A 78 -15.459 6.934 1.666 1.00 1.12 H new ATOM 0 HA LYS A 78 -12.707 7.393 0.775 1.00 1.06 H new ATOM 0 HB2 LYS A 78 -14.758 9.332 1.910 1.00 1.19 H new ATOM 0 HB3 LYS A 78 -13.277 9.743 1.069 1.00 1.19 H new ATOM 0 HG2 LYS A 78 -15.639 8.283 -0.172 1.00 1.29 H new ATOM 0 HG3 LYS A 78 -15.305 9.994 -0.350 1.00 1.29 H new ATOM 0 HD2 LYS A 78 -13.086 9.423 -1.379 1.00 1.78 H new ATOM 0 HD3 LYS A 78 -13.494 7.723 -1.262 1.00 1.78 H new ATOM 0 HE2 LYS A 78 -13.986 8.534 -3.514 1.00 2.39 H new ATOM 0 HE3 LYS A 78 -15.476 8.085 -2.709 1.00 2.39 H new ATOM 0 HZ1 LYS A 78 -15.473 10.264 -3.946 1.00 2.94 H new ATOM 0 HZ2 LYS A 78 -16.039 10.324 -2.347 1.00 2.94 H new ATOM 0 HZ3 LYS A 78 -14.477 10.880 -2.716 1.00 2.94 H new ATOM 1108 N VAL A 79 -11.588 7.463 2.973 1.00 0.89 N ATOM 1109 CA VAL A 79 -10.895 7.491 4.257 1.00 0.86 C ATOM 1110 C VAL A 79 -9.809 8.563 4.282 1.00 0.81 C ATOM 1111 O VAL A 79 -9.088 8.753 3.302 1.00 0.84 O ATOM 1112 CB VAL A 79 -10.264 6.123 4.587 1.00 0.90 C ATOM 1113 CG1 VAL A 79 -11.343 5.063 4.748 1.00 1.06 C ATOM 1114 CG2 VAL A 79 -9.267 5.719 3.512 1.00 1.05 C ATOM 0 H VAL A 79 -10.990 7.247 2.175 1.00 0.89 H new ATOM 0 HA VAL A 79 -11.645 7.728 5.011 1.00 0.86 H new ATOM 0 HB VAL A 79 -9.727 6.211 5.532 1.00 0.90 H new ATOM 0 HG11 VAL A 79 -10.879 4.104 4.981 1.00 1.06 H new ATOM 0 HG12 VAL A 79 -12.014 5.347 5.558 1.00 1.06 H new ATOM 0 HG13 VAL A 79 -11.909 4.977 3.821 1.00 1.06 H new ATOM 0 HG21 VAL A 79 -8.833 4.751 3.763 1.00 1.05 H new ATOM 0 HG22 VAL A 79 -9.776 5.650 2.551 1.00 1.05 H new ATOM 0 HG23 VAL A 79 -8.476 6.466 3.450 1.00 1.05 H new ATOM 1118 N LYS A 80 -9.702 9.264 5.407 1.00 0.79 N ATOM 1119 CA LYS A 80 -8.706 10.319 5.564 1.00 0.76 C ATOM 1120 C LYS A 80 -7.592 9.879 6.511 1.00 0.68 C ATOM 1121 O LYS A 80 -7.856 9.349 7.590 1.00 0.72 O ATOM 1122 CB LYS A 80 -9.367 11.600 6.080 1.00 0.84 C ATOM 1123 CG LYS A 80 -10.149 11.410 7.369 1.00 1.48 C ATOM 1124 CD LYS A 80 -10.850 12.691 7.788 1.00 1.82 C ATOM 1125 CE LYS A 80 -11.639 12.503 9.074 1.00 2.54 C ATOM 1126 NZ LYS A 80 -12.673 11.440 8.941 1.00 3.13 N ATOM 0 H LYS A 80 -10.294 9.120 6.225 1.00 0.79 H new ATOM 0 HA LYS A 80 -8.264 10.519 4.588 1.00 0.76 H new ATOM 0 HB2 LYS A 80 -8.598 12.355 6.241 1.00 0.84 H new ATOM 0 HB3 LYS A 80 -10.038 11.986 5.313 1.00 0.84 H new ATOM 0 HG2 LYS A 80 -10.886 10.618 7.236 1.00 1.48 H new ATOM 0 HG3 LYS A 80 -9.474 11.087 8.161 1.00 1.48 H new ATOM 0 HD2 LYS A 80 -10.112 13.482 7.925 1.00 1.82 H new ATOM 0 HD3 LYS A 80 -11.521 13.016 6.993 1.00 1.82 H new ATOM 0 HE2 LYS A 80 -10.957 12.246 9.884 1.00 2.54 H new ATOM 0 HE3 LYS A 80 -12.118 13.443 9.347 1.00 2.54 H new ATOM 0 HZ1 LYS A 80 -13.338 11.501 9.739 1.00 3.13 H new ATOM 0 HZ2 LYS A 80 -13.191 11.569 8.048 1.00 3.13 H new ATOM 0 HZ3 LYS A 80 -12.214 10.507 8.943 1.00 3.13 H new ATOM 1140 N ALA A 81 -6.346 10.103 6.101 1.00 0.64 N ATOM 1141 CA ALA A 81 -5.196 9.718 6.910 1.00 0.62 C ATOM 1142 C ALA A 81 -4.031 10.688 6.743 1.00 0.58 C ATOM 1143 O ALA A 81 -3.827 11.253 5.668 1.00 0.60 O ATOM 1144 CB ALA A 81 -4.754 8.312 6.543 1.00 0.69 C ATOM 0 H ALA A 81 -6.109 10.548 5.215 1.00 0.64 H new ATOM 0 HA ALA A 81 -5.503 9.748 7.955 1.00 0.62 H new ATOM 0 HB1 ALA A 81 -3.894 8.030 7.151 1.00 0.69 H new ATOM 0 HB2 ALA A 81 -5.571 7.614 6.725 1.00 0.69 H new ATOM 0 HB3 ALA A 81 -4.479 8.281 5.489 1.00 0.69 H new ATOM 1150 N VAL A 82 -3.270 10.874 7.818 1.00 0.58 N ATOM 1151 CA VAL A 82 -2.111 11.757 7.796 1.00 0.56 C ATOM 1152 C VAL A 82 -0.848 10.974 7.448 1.00 0.50 C ATOM 1153 O VAL A 82 -0.471 10.040 8.159 1.00 0.48 O ATOM 1154 CB VAL A 82 -1.906 12.457 9.155 1.00 0.59 C ATOM 1155 CG1 VAL A 82 -0.731 13.421 9.089 1.00 1.40 C ATOM 1156 CG2 VAL A 82 -3.173 13.181 9.582 1.00 1.34 C ATOM 0 H VAL A 82 -3.437 10.423 8.717 1.00 0.58 H new ATOM 0 HA VAL A 82 -2.299 12.514 7.035 1.00 0.56 H new ATOM 0 HB VAL A 82 -1.681 11.696 9.902 1.00 0.59 H new ATOM 0 HG11 VAL A 82 -0.603 13.905 10.057 1.00 1.40 H new ATOM 0 HG12 VAL A 82 0.176 12.872 8.834 1.00 1.40 H new ATOM 0 HG13 VAL A 82 -0.923 14.177 8.328 1.00 1.40 H new ATOM 0 HG21 VAL A 82 -3.007 13.668 10.543 1.00 1.34 H new ATOM 0 HG22 VAL A 82 -3.433 13.931 8.835 1.00 1.34 H new ATOM 0 HG23 VAL A 82 -3.988 12.464 9.675 1.00 1.34 H new ATOM 1160 N VAL A 83 -0.206 11.355 6.351 1.00 0.50 N ATOM 1161 CA VAL A 83 1.011 10.687 5.907 1.00 0.47 C ATOM 1162 C VAL A 83 2.234 11.579 6.106 1.00 0.45 C ATOM 1163 O VAL A 83 2.294 12.696 5.590 1.00 0.53 O ATOM 1164 CB VAL A 83 0.911 10.275 4.424 1.00 0.55 C ATOM 1165 CG1 VAL A 83 0.536 11.468 3.559 1.00 1.26 C ATOM 1166 CG2 VAL A 83 2.214 9.645 3.947 1.00 1.11 C ATOM 0 H VAL A 83 -0.508 12.123 5.752 1.00 0.50 H new ATOM 0 HA VAL A 83 1.125 9.790 6.516 1.00 0.47 H new ATOM 0 HB VAL A 83 0.123 9.528 4.331 1.00 0.55 H new ATOM 0 HG11 VAL A 83 0.471 11.156 2.517 1.00 1.26 H new ATOM 0 HG12 VAL A 83 -0.428 11.862 3.881 1.00 1.26 H new ATOM 0 HG13 VAL A 83 1.296 12.243 3.659 1.00 1.26 H new ATOM 0 HG21 VAL A 83 2.119 9.363 2.898 1.00 1.11 H new ATOM 0 HG22 VAL A 83 3.027 10.363 4.057 1.00 1.11 H new ATOM 0 HG23 VAL A 83 2.429 8.758 4.543 1.00 1.11 H new ATOM 1170 N LYS A 84 3.208 11.080 6.864 1.00 0.41 N ATOM 1171 CA LYS A 84 4.431 11.832 7.131 1.00 0.43 C ATOM 1172 C LYS A 84 5.658 10.943 6.961 1.00 0.42 C ATOM 1173 O LYS A 84 5.590 9.730 7.162 1.00 0.44 O ATOM 1174 CB LYS A 84 4.410 12.405 8.549 1.00 0.48 C ATOM 1175 CG LYS A 84 3.118 13.126 8.900 1.00 0.78 C ATOM 1176 CD LYS A 84 3.194 13.777 10.274 1.00 0.91 C ATOM 1177 CE LYS A 84 4.153 14.957 10.282 1.00 1.51 C ATOM 1178 NZ LYS A 84 4.236 15.596 11.624 1.00 2.11 N ATOM 0 H LYS A 84 3.174 10.160 7.303 1.00 0.41 H new ATOM 0 HA LYS A 84 4.484 12.651 6.414 1.00 0.43 H new ATOM 0 HB2 LYS A 84 4.568 11.595 9.261 1.00 0.48 H new ATOM 0 HB3 LYS A 84 5.244 13.097 8.664 1.00 0.48 H new ATOM 0 HG2 LYS A 84 2.909 13.887 8.148 1.00 0.78 H new ATOM 0 HG3 LYS A 84 2.289 12.419 8.877 1.00 0.78 H new ATOM 0 HD2 LYS A 84 2.201 14.112 10.574 1.00 0.91 H new ATOM 0 HD3 LYS A 84 3.517 13.040 11.009 1.00 0.91 H new ATOM 0 HE2 LYS A 84 5.144 14.621 9.978 1.00 1.51 H new ATOM 0 HE3 LYS A 84 3.827 15.694 9.548 1.00 1.51 H new ATOM 0 HZ1 LYS A 84 4.900 16.396 11.587 1.00 2.11 H new ATOM 0 HZ2 LYS A 84 3.295 15.940 11.904 1.00 2.11 H new ATOM 0 HZ3 LYS A 84 4.571 14.900 12.320 1.00 2.11 H new ATOM 1192 N MET A 85 6.778 11.553 6.590 1.00 0.48 N ATOM 1193 CA MET A 85 8.020 10.816 6.400 1.00 0.52 C ATOM 1194 C MET A 85 8.943 10.992 7.604 1.00 0.57 C ATOM 1195 O MET A 85 9.105 12.101 8.116 1.00 0.67 O ATOM 1196 CB MET A 85 8.729 11.279 5.125 1.00 0.68 C ATOM 1197 CG MET A 85 9.071 12.761 5.121 1.00 1.26 C ATOM 1198 SD MET A 85 9.981 13.261 3.646 1.00 1.83 S ATOM 1199 CE MET A 85 11.496 12.328 3.843 1.00 2.62 C ATOM 0 H MET A 85 6.851 12.555 6.415 1.00 0.48 H new ATOM 0 HA MET A 85 7.774 9.759 6.302 1.00 0.52 H new ATOM 0 HB2 MET A 85 9.646 10.703 5.000 1.00 0.68 H new ATOM 0 HB3 MET A 85 8.095 11.059 4.266 1.00 0.68 H new ATOM 0 HG2 MET A 85 8.151 13.342 5.190 1.00 1.26 H new ATOM 0 HG3 MET A 85 9.663 12.995 6.005 1.00 1.26 H new ATOM 0 HE1 MET A 85 12.291 12.798 3.264 1.00 2.62 H new ATOM 0 HE2 MET A 85 11.777 12.309 4.896 1.00 2.62 H new ATOM 0 HE3 MET A 85 11.344 11.308 3.489 1.00 2.62 H new ATOM 1209 N GLU A 86 9.542 9.893 8.054 1.00 0.60 N ATOM 1210 CA GLU A 86 10.445 9.933 9.199 1.00 0.73 C ATOM 1211 C GLU A 86 11.878 10.191 8.751 1.00 0.84 C ATOM 1212 O GLU A 86 12.739 10.549 9.556 1.00 1.00 O ATOM 1213 CB GLU A 86 10.365 8.623 9.990 1.00 0.77 C ATOM 1214 CG GLU A 86 11.206 8.619 11.256 1.00 1.07 C ATOM 1215 CD GLU A 86 10.824 9.728 12.215 1.00 1.44 C ATOM 1216 OE1 GLU A 86 9.820 9.566 12.939 1.00 1.48 O ATOM 1217 OE2 GLU A 86 11.528 10.758 12.241 1.00 2.06 O ATOM 0 H GLU A 86 9.419 8.967 7.645 1.00 0.60 H new ATOM 0 HA GLU A 86 10.135 10.753 9.846 1.00 0.73 H new ATOM 0 HB2 GLU A 86 9.325 8.432 10.255 1.00 0.77 H new ATOM 0 HB3 GLU A 86 10.686 7.802 9.349 1.00 0.77 H new ATOM 0 HG2 GLU A 86 11.096 7.657 11.757 1.00 1.07 H new ATOM 0 HG3 GLU A 86 12.258 8.721 10.989 1.00 1.07 H new ATOM 1224 N GLY A 87 12.124 10.017 7.460 1.00 0.80 N ATOM 1225 CA GLY A 87 13.452 10.240 6.922 1.00 0.95 C ATOM 1226 C GLY A 87 13.911 9.133 5.995 1.00 0.81 C ATOM 1227 O GLY A 87 13.291 8.881 4.961 1.00 1.62 O ATOM 0 H GLY A 87 11.427 9.725 6.775 1.00 0.80 H new ATOM 0 HA2 GLY A 87 13.464 11.187 6.382 1.00 0.95 H new ATOM 0 HA3 GLY A 87 14.160 10.333 7.745 1.00 0.95 H new ATOM 1231 N ASP A 88 15.000 8.471 6.369 1.00 0.89 N ATOM 1232 CA ASP A 88 15.557 7.395 5.564 1.00 1.05 C ATOM 1233 C ASP A 88 15.224 6.030 6.151 1.00 0.98 C ATOM 1234 O ASP A 88 15.526 5.747 7.310 1.00 1.56 O ATOM 1235 CB ASP A 88 17.073 7.555 5.453 1.00 1.46 C ATOM 1236 CG ASP A 88 17.472 8.925 4.934 1.00 2.14 C ATOM 1237 OD1 ASP A 88 17.563 9.088 3.699 1.00 2.57 O ATOM 1238 OD2 ASP A 88 17.690 9.834 5.764 1.00 2.84 O ATOM 0 H ASP A 88 15.515 8.663 7.228 1.00 0.89 H new ATOM 0 HA ASP A 88 15.110 7.455 4.572 1.00 1.05 H new ATOM 0 HB2 ASP A 88 17.526 7.394 6.431 1.00 1.46 H new ATOM 0 HB3 ASP A 88 17.469 6.788 4.788 1.00 1.46 H new ATOM 1243 N ASN A 89 14.583 5.204 5.330 1.00 0.54 N ATOM 1244 CA ASN A 89 14.202 3.843 5.710 1.00 0.51 C ATOM 1245 C ASN A 89 13.036 3.816 6.689 1.00 0.46 C ATOM 1246 O ASN A 89 12.552 2.744 7.038 1.00 0.55 O ATOM 1247 CB ASN A 89 15.397 3.091 6.304 1.00 0.61 C ATOM 1248 CG ASN A 89 16.566 3.012 5.343 1.00 1.42 C ATOM 1249 OD1 ASN A 89 16.687 2.061 4.571 1.00 2.19 O ATOM 1250 ND2 ASN A 89 17.437 4.015 5.384 1.00 2.22 N ATOM 0 H ASN A 89 14.311 5.458 4.380 1.00 0.54 H new ATOM 0 HA ASN A 89 13.877 3.344 4.797 1.00 0.51 H new ATOM 0 HB2 ASN A 89 15.716 3.588 7.220 1.00 0.61 H new ATOM 0 HB3 ASN A 89 15.088 2.083 6.579 1.00 0.61 H new ATOM 0 HD21 ASN A 89 18.244 4.016 4.760 1.00 2.22 H new ATOM 0 HD22 ASN A 89 17.299 4.784 6.040 1.00 2.22 H new ATOM 1255 N LYS A 90 12.570 4.982 7.123 1.00 0.46 N ATOM 1256 CA LYS A 90 11.460 5.031 8.068 1.00 0.49 C ATOM 1257 C LYS A 90 10.354 5.979 7.614 1.00 0.46 C ATOM 1258 O LYS A 90 10.604 7.130 7.258 1.00 0.53 O ATOM 1259 CB LYS A 90 11.959 5.437 9.455 1.00 0.70 C ATOM 1260 CG LYS A 90 12.778 4.359 10.140 1.00 0.64 C ATOM 1261 CD LYS A 90 14.256 4.478 9.807 1.00 1.25 C ATOM 1262 CE LYS A 90 15.079 3.432 10.541 1.00 1.43 C ATOM 1263 NZ LYS A 90 14.958 3.567 12.019 1.00 2.05 N ATOM 0 H LYS A 90 12.936 5.892 6.842 1.00 0.46 H new ATOM 0 HA LYS A 90 11.034 4.029 8.113 1.00 0.49 H new ATOM 0 HB2 LYS A 90 12.563 6.340 9.366 1.00 0.70 H new ATOM 0 HB3 LYS A 90 11.103 5.686 10.082 1.00 0.70 H new ATOM 0 HG2 LYS A 90 12.641 4.429 11.219 1.00 0.64 H new ATOM 0 HG3 LYS A 90 12.414 3.377 9.836 1.00 0.64 H new ATOM 0 HD2 LYS A 90 14.398 4.365 8.732 1.00 1.25 H new ATOM 0 HD3 LYS A 90 14.611 5.474 10.073 1.00 1.25 H new ATOM 0 HE2 LYS A 90 14.753 2.437 10.240 1.00 1.43 H new ATOM 0 HE3 LYS A 90 16.126 3.526 10.252 1.00 1.43 H new ATOM 0 HZ1 LYS A 90 15.722 3.033 12.480 1.00 2.05 H new ATOM 0 HZ2 LYS A 90 15.029 4.570 12.283 1.00 2.05 H new ATOM 0 HZ3 LYS A 90 14.039 3.192 12.328 1.00 2.05 H new ATOM 1277 N MET A 91 9.124 5.468 7.637 1.00 0.42 N ATOM 1278 CA MET A 91 7.945 6.239 7.253 1.00 0.45 C ATOM 1279 C MET A 91 6.790 5.908 8.195 1.00 0.42 C ATOM 1280 O MET A 91 6.568 4.741 8.520 1.00 0.46 O ATOM 1281 CB MET A 91 7.545 5.933 5.807 1.00 0.49 C ATOM 1282 CG MET A 91 8.666 6.146 4.803 1.00 1.03 C ATOM 1283 SD MET A 91 9.224 7.858 4.732 1.00 1.51 S ATOM 1284 CE MET A 91 10.610 7.718 3.607 1.00 1.96 C ATOM 0 H MET A 91 8.918 4.510 7.922 1.00 0.42 H new ATOM 0 HA MET A 91 8.181 7.301 7.325 1.00 0.45 H new ATOM 0 HB2 MET A 91 7.205 4.899 5.745 1.00 0.49 H new ATOM 0 HB3 MET A 91 6.699 6.563 5.533 1.00 0.49 H new ATOM 0 HG2 MET A 91 9.508 5.505 5.064 1.00 1.03 H new ATOM 0 HG3 MET A 91 8.325 5.838 3.814 1.00 1.03 H new ATOM 0 HE1 MET A 91 10.859 8.703 3.212 1.00 1.96 H new ATOM 0 HE2 MET A 91 11.470 7.312 4.139 1.00 1.96 H new ATOM 0 HE3 MET A 91 10.345 7.054 2.784 1.00 1.96 H new ATOM 1294 N VAL A 92 6.058 6.928 8.632 1.00 0.40 N ATOM 1295 CA VAL A 92 4.941 6.712 9.549 1.00 0.39 C ATOM 1296 C VAL A 92 3.630 7.273 9.006 1.00 0.38 C ATOM 1297 O VAL A 92 3.508 8.470 8.745 1.00 0.42 O ATOM 1298 CB VAL A 92 5.225 7.331 10.932 1.00 0.45 C ATOM 1299 CG1 VAL A 92 6.301 6.541 11.658 1.00 1.46 C ATOM 1300 CG2 VAL A 92 5.630 8.793 10.798 1.00 1.45 C ATOM 0 H VAL A 92 6.214 7.902 8.371 1.00 0.40 H new ATOM 0 HA VAL A 92 4.836 5.632 9.651 1.00 0.39 H new ATOM 0 HB VAL A 92 4.309 7.286 11.521 1.00 0.45 H new ATOM 0 HG11 VAL A 92 6.489 6.992 12.632 1.00 1.46 H new ATOM 0 HG12 VAL A 92 5.968 5.512 11.793 1.00 1.46 H new ATOM 0 HG13 VAL A 92 7.219 6.552 11.070 1.00 1.46 H new ATOM 0 HG21 VAL A 92 5.825 9.209 11.787 1.00 1.45 H new ATOM 0 HG22 VAL A 92 6.531 8.867 10.189 1.00 1.45 H new ATOM 0 HG23 VAL A 92 4.824 9.352 10.322 1.00 1.45 H new ATOM 1304 N THR A 93 2.654 6.386 8.832 1.00 0.37 N ATOM 1305 CA THR A 93 1.336 6.772 8.340 1.00 0.40 C ATOM 1306 C THR A 93 0.240 6.128 9.185 1.00 0.41 C ATOM 1307 O THR A 93 0.290 4.931 9.471 1.00 0.44 O ATOM 1308 CB THR A 93 1.146 6.374 6.862 1.00 0.44 C ATOM 1309 OG1 THR A 93 -0.194 6.661 6.445 1.00 0.52 O ATOM 1310 CG2 THR A 93 1.443 4.896 6.652 1.00 0.47 C ATOM 0 H THR A 93 2.753 5.389 9.026 1.00 0.37 H new ATOM 0 HA THR A 93 1.264 7.857 8.417 1.00 0.40 H new ATOM 0 HB THR A 93 1.846 6.955 6.262 1.00 0.44 H new ATOM 0 HG1 THR A 93 -0.463 6.026 5.748 1.00 0.52 H new ATOM 0 HG21 THR A 93 1.301 4.642 5.601 1.00 0.47 H new ATOM 0 HG22 THR A 93 2.473 4.687 6.940 1.00 0.47 H new ATOM 0 HG23 THR A 93 0.767 4.299 7.264 1.00 0.47 H new ATOM 1315 N THR A 94 -0.748 6.923 9.590 1.00 0.42 N ATOM 1316 CA THR A 94 -1.844 6.414 10.412 1.00 0.46 C ATOM 1317 C THR A 94 -3.196 6.627 9.735 1.00 0.51 C ATOM 1318 O THR A 94 -3.535 7.746 9.348 1.00 0.57 O ATOM 1319 CB THR A 94 -1.866 7.091 11.796 1.00 0.52 C ATOM 1320 OG1 THR A 94 -0.613 6.890 12.460 1.00 1.23 O ATOM 1321 CG2 THR A 94 -2.993 6.539 12.656 1.00 1.12 C ATOM 0 H THR A 94 -0.813 7.916 9.364 1.00 0.42 H new ATOM 0 HA THR A 94 -1.671 5.345 10.536 1.00 0.46 H new ATOM 0 HB THR A 94 -2.034 8.158 11.648 1.00 0.52 H new ATOM 0 HG1 THR A 94 -0.635 7.325 13.338 1.00 1.23 H new ATOM 0 HG21 THR A 94 -2.986 7.034 13.627 1.00 1.12 H new ATOM 0 HG22 THR A 94 -3.948 6.720 12.164 1.00 1.12 H new ATOM 0 HG23 THR A 94 -2.854 5.467 12.794 1.00 1.12 H new ATOM 1326 N PHE A 95 -3.964 5.546 9.599 1.00 0.53 N ATOM 1327 CA PHE A 95 -5.283 5.617 8.974 1.00 0.61 C ATOM 1328 C PHE A 95 -6.296 4.764 9.733 1.00 0.67 C ATOM 1329 O PHE A 95 -6.001 3.635 10.127 1.00 0.76 O ATOM 1330 CB PHE A 95 -5.207 5.172 7.510 1.00 0.73 C ATOM 1331 CG PHE A 95 -4.874 3.719 7.328 1.00 0.58 C ATOM 1332 CD1 PHE A 95 -3.572 3.268 7.476 1.00 0.58 C ATOM 1333 CD2 PHE A 95 -5.862 2.804 7.002 1.00 0.73 C ATOM 1334 CE1 PHE A 95 -3.262 1.932 7.304 1.00 0.75 C ATOM 1335 CE2 PHE A 95 -5.559 1.467 6.829 1.00 0.94 C ATOM 1336 CZ PHE A 95 -4.258 1.031 6.979 1.00 0.96 C ATOM 0 H PHE A 95 -3.696 4.613 9.913 1.00 0.53 H new ATOM 0 HA PHE A 95 -5.616 6.654 9.009 1.00 0.61 H new ATOM 0 HB2 PHE A 95 -6.163 5.378 7.029 1.00 0.73 H new ATOM 0 HB3 PHE A 95 -4.456 5.773 6.997 1.00 0.73 H new ATOM 0 HD1 PHE A 95 -2.790 3.969 7.729 1.00 0.58 H new ATOM 0 HD2 PHE A 95 -6.881 3.140 6.882 1.00 0.73 H new ATOM 0 HE1 PHE A 95 -2.244 1.593 7.423 1.00 0.75 H new ATOM 0 HE2 PHE A 95 -6.339 0.764 6.577 1.00 0.94 H new ATOM 0 HZ PHE A 95 -4.019 -0.013 6.842 1.00 0.96 H new ATOM 1346 N LYS A 96 -7.494 5.314 9.931 1.00 0.74 N ATOM 1347 CA LYS A 96 -8.564 4.615 10.642 1.00 0.83 C ATOM 1348 C LYS A 96 -8.089 4.111 12.005 1.00 0.85 C ATOM 1349 O LYS A 96 -8.126 4.844 12.994 1.00 1.43 O ATOM 1350 CB LYS A 96 -9.095 3.447 9.805 1.00 0.91 C ATOM 1351 CG LYS A 96 -9.735 3.876 8.494 1.00 1.27 C ATOM 1352 CD LYS A 96 -10.322 2.690 7.742 1.00 1.53 C ATOM 1353 CE LYS A 96 -9.237 1.737 7.263 1.00 1.76 C ATOM 1354 NZ LYS A 96 -9.809 0.528 6.610 1.00 2.52 N ATOM 0 H LYS A 96 -7.748 6.247 9.607 1.00 0.74 H new ATOM 0 HA LYS A 96 -9.372 5.328 10.806 1.00 0.83 H new ATOM 0 HB2 LYS A 96 -8.274 2.762 9.592 1.00 0.91 H new ATOM 0 HB3 LYS A 96 -9.827 2.894 10.393 1.00 0.91 H new ATOM 0 HG2 LYS A 96 -10.520 4.606 8.693 1.00 1.27 H new ATOM 0 HG3 LYS A 96 -8.991 4.371 7.870 1.00 1.27 H new ATOM 0 HD2 LYS A 96 -11.016 2.155 8.390 1.00 1.53 H new ATOM 0 HD3 LYS A 96 -10.895 3.048 6.887 1.00 1.53 H new ATOM 0 HE2 LYS A 96 -8.584 2.254 6.560 1.00 1.76 H new ATOM 0 HE3 LYS A 96 -8.620 1.435 8.109 1.00 1.76 H new ATOM 0 HZ1 LYS A 96 -9.038 -0.096 6.298 1.00 2.52 H new ATOM 0 HZ2 LYS A 96 -10.412 0.020 7.288 1.00 2.52 H new ATOM 0 HZ3 LYS A 96 -10.377 0.814 5.787 1.00 2.52 H new ATOM 1368 N GLY A 97 -7.646 2.857 12.049 1.00 0.78 N ATOM 1369 CA GLY A 97 -7.171 2.276 13.291 1.00 0.80 C ATOM 1370 C GLY A 97 -6.013 1.325 13.070 1.00 0.70 C ATOM 1371 O GLY A 97 -5.410 0.834 14.025 1.00 0.83 O ATOM 0 H GLY A 97 -7.608 2.232 11.244 1.00 0.78 H new ATOM 0 HA2 GLY A 97 -6.861 3.072 13.968 1.00 0.80 H new ATOM 0 HA3 GLY A 97 -7.988 1.744 13.778 1.00 0.80 H new ATOM 1375 N ILE A 98 -5.702 1.068 11.804 1.00 0.57 N ATOM 1376 CA ILE A 98 -4.607 0.176 11.449 1.00 0.50 C ATOM 1377 C ILE A 98 -3.302 0.951 11.322 1.00 0.45 C ATOM 1378 O ILE A 98 -3.274 2.050 10.767 1.00 0.48 O ATOM 1379 CB ILE A 98 -4.892 -0.558 10.121 1.00 0.52 C ATOM 1380 CG1 ILE A 98 -6.184 -1.373 10.233 1.00 0.71 C ATOM 1381 CG2 ILE A 98 -3.722 -1.457 9.746 1.00 0.59 C ATOM 1382 CD1 ILE A 98 -6.649 -1.958 8.916 1.00 1.45 C ATOM 0 H ILE A 98 -6.195 1.467 11.005 1.00 0.57 H new ATOM 0 HA ILE A 98 -4.516 -0.561 12.247 1.00 0.50 H new ATOM 0 HB ILE A 98 -5.018 0.184 9.333 1.00 0.52 H new ATOM 0 HG12 ILE A 98 -6.032 -2.183 10.947 1.00 0.71 H new ATOM 0 HG13 ILE A 98 -6.971 -0.736 10.636 1.00 0.71 H new ATOM 0 HG21 ILE A 98 -3.941 -1.966 8.807 1.00 0.59 H new ATOM 0 HG22 ILE A 98 -2.822 -0.853 9.630 1.00 0.59 H new ATOM 0 HG23 ILE A 98 -3.565 -2.196 10.532 1.00 0.59 H new ATOM 0 HD11 ILE A 98 -7.569 -2.522 9.073 1.00 1.45 H new ATOM 0 HD12 ILE A 98 -6.834 -1.153 8.205 1.00 1.45 H new ATOM 0 HD13 ILE A 98 -5.880 -2.621 8.521 1.00 1.45 H new ATOM 1386 N LYS A 99 -2.222 0.382 11.846 1.00 0.41 N ATOM 1387 CA LYS A 99 -0.919 1.030 11.791 1.00 0.39 C ATOM 1388 C LYS A 99 -0.097 0.501 10.624 1.00 0.37 C ATOM 1389 O LYS A 99 0.086 -0.710 10.478 1.00 0.40 O ATOM 1390 CB LYS A 99 -0.156 0.814 13.095 1.00 0.42 C ATOM 1391 CG LYS A 99 0.814 1.940 13.421 1.00 0.95 C ATOM 1392 CD LYS A 99 1.519 1.710 14.748 1.00 1.46 C ATOM 1393 CE LYS A 99 0.556 1.809 15.922 1.00 2.05 C ATOM 1394 NZ LYS A 99 -0.009 3.179 16.067 1.00 2.71 N ATOM 0 H LYS A 99 -2.224 -0.525 12.313 1.00 0.41 H new ATOM 0 HA LYS A 99 -1.085 2.098 11.647 1.00 0.39 H new ATOM 0 HB2 LYS A 99 -0.870 0.711 13.912 1.00 0.42 H new ATOM 0 HB3 LYS A 99 0.395 -0.124 13.034 1.00 0.42 H new ATOM 0 HG2 LYS A 99 1.554 2.024 12.626 1.00 0.95 H new ATOM 0 HG3 LYS A 99 0.274 2.886 13.455 1.00 0.95 H new ATOM 0 HD2 LYS A 99 1.989 0.726 14.745 1.00 1.46 H new ATOM 0 HD3 LYS A 99 2.316 2.444 14.868 1.00 1.46 H new ATOM 0 HE2 LYS A 99 -0.256 1.095 15.786 1.00 2.05 H new ATOM 0 HE3 LYS A 99 1.074 1.532 16.840 1.00 2.05 H new ATOM 0 HZ1 LYS A 99 -0.449 3.276 17.004 1.00 2.71 H new ATOM 0 HZ2 LYS A 99 0.752 3.881 15.968 1.00 2.71 H new ATOM 0 HZ3 LYS A 99 -0.725 3.339 15.330 1.00 2.71 H new ATOM 1408 N SER A 100 0.397 1.415 9.796 1.00 0.36 N ATOM 1409 CA SER A 100 1.203 1.040 8.647 1.00 0.36 C ATOM 1410 C SER A 100 2.579 1.692 8.706 1.00 0.34 C ATOM 1411 O SER A 100 2.696 2.917 8.733 1.00 0.34 O ATOM 1412 CB SER A 100 0.495 1.439 7.349 1.00 0.40 C ATOM 1413 OG SER A 100 1.250 1.049 6.215 1.00 1.23 O ATOM 0 H SER A 100 0.252 2.419 9.901 1.00 0.36 H new ATOM 0 HA SER A 100 1.333 -0.042 8.668 1.00 0.36 H new ATOM 0 HB2 SER A 100 -0.490 0.974 7.311 1.00 0.40 H new ATOM 0 HB3 SER A 100 0.340 2.518 7.333 1.00 0.40 H new ATOM 0 HG SER A 100 0.776 1.314 5.399 1.00 1.23 H new ATOM 1419 N VAL A 101 3.618 0.864 8.725 1.00 0.34 N ATOM 1420 CA VAL A 101 4.990 1.356 8.761 1.00 0.33 C ATOM 1421 C VAL A 101 5.720 0.944 7.490 1.00 0.33 C ATOM 1422 O VAL A 101 5.805 -0.240 7.171 1.00 0.36 O ATOM 1423 CB VAL A 101 5.754 0.825 9.990 1.00 0.37 C ATOM 1424 CG1 VAL A 101 7.198 1.304 9.972 1.00 0.49 C ATOM 1425 CG2 VAL A 101 5.059 1.254 11.273 1.00 0.59 C ATOM 0 H VAL A 101 3.536 -0.153 8.716 1.00 0.34 H new ATOM 0 HA VAL A 101 4.951 2.443 8.832 1.00 0.33 H new ATOM 0 HB VAL A 101 5.758 -0.264 9.950 1.00 0.37 H new ATOM 0 HG11 VAL A 101 7.720 0.918 10.848 1.00 0.49 H new ATOM 0 HG12 VAL A 101 7.690 0.944 9.068 1.00 0.49 H new ATOM 0 HG13 VAL A 101 7.220 2.394 9.987 1.00 0.49 H new ATOM 0 HG21 VAL A 101 5.611 0.871 12.131 1.00 0.59 H new ATOM 0 HG22 VAL A 101 5.023 2.342 11.321 1.00 0.59 H new ATOM 0 HG23 VAL A 101 4.044 0.856 11.287 1.00 0.59 H new ATOM 1429 N THR A 102 6.246 1.926 6.769 1.00 0.35 N ATOM 1430 CA THR A 102 6.946 1.657 5.524 1.00 0.40 C ATOM 1431 C THR A 102 8.432 1.987 5.619 1.00 0.37 C ATOM 1432 O THR A 102 8.812 3.085 6.024 1.00 0.39 O ATOM 1433 CB THR A 102 6.333 2.457 4.356 1.00 0.50 C ATOM 1434 OG1 THR A 102 4.953 2.105 4.193 1.00 0.55 O ATOM 1435 CG2 THR A 102 7.083 2.193 3.058 1.00 0.59 C ATOM 0 H THR A 102 6.200 2.912 7.026 1.00 0.35 H new ATOM 0 HA THR A 102 6.835 0.589 5.336 1.00 0.40 H new ATOM 0 HB THR A 102 6.415 3.518 4.593 1.00 0.50 H new ATOM 0 HG1 THR A 102 4.396 2.902 4.312 1.00 0.55 H new ATOM 0 HG21 THR A 102 6.629 2.770 2.252 1.00 0.59 H new ATOM 0 HG22 THR A 102 8.126 2.489 3.174 1.00 0.59 H new ATOM 0 HG23 THR A 102 7.032 1.131 2.818 1.00 0.59 H new ATOM 1440 N GLU A 103 9.262 1.021 5.242 1.00 0.37 N ATOM 1441 CA GLU A 103 10.707 1.202 5.245 1.00 0.38 C ATOM 1442 C GLU A 103 11.154 1.597 3.842 1.00 0.41 C ATOM 1443 O GLU A 103 10.897 0.874 2.880 1.00 0.47 O ATOM 1444 CB GLU A 103 11.407 -0.087 5.680 1.00 0.43 C ATOM 1445 CG GLU A 103 12.923 0.023 5.742 1.00 1.12 C ATOM 1446 CD GLU A 103 13.593 -1.310 6.010 1.00 1.63 C ATOM 1447 OE1 GLU A 103 13.797 -1.642 7.196 1.00 2.08 O ATOM 1448 OE2 GLU A 103 13.914 -2.019 5.034 1.00 2.10 O ATOM 0 H GLU A 103 8.956 0.100 4.929 1.00 0.37 H new ATOM 0 HA GLU A 103 10.975 1.987 5.952 1.00 0.38 H new ATOM 0 HB2 GLU A 103 11.034 -0.378 6.662 1.00 0.43 H new ATOM 0 HB3 GLU A 103 11.139 -0.885 4.988 1.00 0.43 H new ATOM 0 HG2 GLU A 103 13.293 0.429 4.800 1.00 1.12 H new ATOM 0 HG3 GLU A 103 13.201 0.729 6.525 1.00 1.12 H new ATOM 1455 N PHE A 104 11.821 2.740 3.722 1.00 0.43 N ATOM 1456 CA PHE A 104 12.254 3.211 2.407 1.00 0.49 C ATOM 1457 C PHE A 104 13.754 3.042 2.196 1.00 0.52 C ATOM 1458 O PHE A 104 14.566 3.658 2.882 1.00 0.62 O ATOM 1459 CB PHE A 104 11.871 4.679 2.220 1.00 0.64 C ATOM 1460 CG PHE A 104 10.987 4.920 1.029 1.00 0.56 C ATOM 1461 CD1 PHE A 104 11.532 5.049 -0.237 1.00 0.69 C ATOM 1462 CD2 PHE A 104 9.613 5.018 1.179 1.00 0.61 C ATOM 1463 CE1 PHE A 104 10.723 5.272 -1.335 1.00 0.78 C ATOM 1464 CE2 PHE A 104 8.799 5.241 0.084 1.00 0.79 C ATOM 1465 CZ PHE A 104 9.352 5.367 -1.173 1.00 0.83 C ATOM 0 H PHE A 104 12.071 3.349 4.501 1.00 0.43 H new ATOM 0 HA PHE A 104 11.745 2.597 1.664 1.00 0.49 H new ATOM 0 HB2 PHE A 104 11.362 5.031 3.117 1.00 0.64 H new ATOM 0 HB3 PHE A 104 12.779 5.273 2.115 1.00 0.64 H new ATOM 0 HD1 PHE A 104 12.601 4.975 -0.368 1.00 0.69 H new ATOM 0 HD2 PHE A 104 9.174 4.919 2.161 1.00 0.61 H new ATOM 0 HE1 PHE A 104 11.160 5.372 -2.318 1.00 0.78 H new ATOM 0 HE2 PHE A 104 7.729 5.317 0.213 1.00 0.79 H new ATOM 0 HZ PHE A 104 8.717 5.539 -2.029 1.00 0.83 H new ATOM 1475 N ASN A 105 14.111 2.221 1.217 1.00 0.53 N ATOM 1476 CA ASN A 105 15.508 1.978 0.896 1.00 0.62 C ATOM 1477 C ASN A 105 15.765 2.252 -0.581 1.00 0.67 C ATOM 1478 O ASN A 105 14.855 2.156 -1.404 1.00 0.81 O ATOM 1479 CB ASN A 105 15.902 0.544 1.247 1.00 0.69 C ATOM 1480 CG ASN A 105 17.367 0.425 1.621 1.00 1.24 C ATOM 1481 OD1 ASN A 105 18.008 -0.593 1.356 1.00 1.72 O ATOM 1482 ND2 ASN A 105 17.905 1.467 2.251 1.00 1.53 N ATOM 0 H ASN A 105 13.449 1.712 0.631 1.00 0.53 H new ATOM 0 HA ASN A 105 16.120 2.656 1.490 1.00 0.62 H new ATOM 0 HB2 ASN A 105 15.288 0.193 2.077 1.00 0.69 H new ATOM 0 HB3 ASN A 105 15.692 -0.106 0.398 1.00 0.69 H new ATOM 0 HD21 ASN A 105 18.885 1.442 2.534 1.00 1.53 H new ATOM 0 HD22 ASN A 105 17.338 2.291 2.451 1.00 1.53 H new ATOM 1487 N GLY A 106 17.003 2.599 -0.911 1.00 0.78 N ATOM 1488 CA GLY A 106 17.348 2.882 -2.292 1.00 0.82 C ATOM 1489 C GLY A 106 17.518 1.626 -3.127 1.00 0.94 C ATOM 1490 O GLY A 106 18.423 1.549 -3.959 1.00 1.44 O ATOM 0 H GLY A 106 17.773 2.690 -0.249 1.00 0.78 H new ATOM 0 HA2 GLY A 106 16.571 3.505 -2.735 1.00 0.82 H new ATOM 0 HA3 GLY A 106 18.273 3.459 -2.320 1.00 0.82 H new ATOM 1494 N ASP A 107 16.646 0.642 -2.911 1.00 0.74 N ATOM 1495 CA ASP A 107 16.712 -0.611 -3.657 1.00 0.93 C ATOM 1496 C ASP A 107 15.490 -1.486 -3.384 1.00 0.75 C ATOM 1497 O ASP A 107 15.013 -2.191 -4.271 1.00 0.67 O ATOM 1498 CB ASP A 107 17.988 -1.377 -3.300 1.00 1.22 C ATOM 1499 CG ASP A 107 18.146 -2.646 -4.114 1.00 1.91 C ATOM 1500 OD1 ASP A 107 18.659 -2.565 -5.249 1.00 2.43 O ATOM 1501 OD2 ASP A 107 17.760 -3.723 -3.613 1.00 2.55 O ATOM 0 H ASP A 107 15.889 0.689 -2.229 1.00 0.74 H new ATOM 0 HA ASP A 107 16.725 -0.364 -4.719 1.00 0.93 H new ATOM 0 HB2 ASP A 107 18.853 -0.734 -3.463 1.00 1.22 H new ATOM 0 HB3 ASP A 107 17.973 -1.628 -2.239 1.00 1.22 H new ATOM 1506 N THR A 108 14.989 -1.442 -2.152 1.00 0.74 N ATOM 1507 CA THR A 108 13.830 -2.245 -1.771 1.00 0.63 C ATOM 1508 C THR A 108 12.895 -1.476 -0.845 1.00 0.59 C ATOM 1509 O THR A 108 13.340 -0.673 -0.024 1.00 0.77 O ATOM 1510 CB THR A 108 14.255 -3.550 -1.069 1.00 0.75 C ATOM 1511 OG1 THR A 108 15.075 -3.253 0.067 1.00 1.39 O ATOM 1512 CG2 THR A 108 15.013 -4.461 -2.023 1.00 1.53 C ATOM 0 H THR A 108 15.366 -0.861 -1.403 1.00 0.74 H new ATOM 0 HA THR A 108 13.305 -2.485 -2.696 1.00 0.63 H new ATOM 0 HB THR A 108 13.353 -4.066 -0.741 1.00 0.75 H new ATOM 0 HG1 THR A 108 15.339 -4.088 0.507 1.00 1.39 H new ATOM 0 HG21 THR A 108 15.301 -5.374 -1.502 1.00 1.53 H new ATOM 0 HG22 THR A 108 14.375 -4.712 -2.870 1.00 1.53 H new ATOM 0 HG23 THR A 108 15.907 -3.950 -2.381 1.00 1.53 H new ATOM 1517 N ILE A 109 11.597 -1.728 -0.983 1.00 0.45 N ATOM 1518 CA ILE A 109 10.595 -1.075 -0.152 1.00 0.44 C ATOM 1519 C ILE A 109 9.729 -2.109 0.564 1.00 0.37 C ATOM 1520 O ILE A 109 9.111 -2.964 -0.071 1.00 0.36 O ATOM 1521 CB ILE A 109 9.693 -0.140 -0.983 1.00 0.51 C ATOM 1522 CG1 ILE A 109 10.485 1.083 -1.452 1.00 0.72 C ATOM 1523 CG2 ILE A 109 8.471 0.287 -0.178 1.00 0.70 C ATOM 1524 CD1 ILE A 109 9.671 2.058 -2.276 1.00 1.54 C ATOM 0 H ILE A 109 11.215 -2.383 -1.666 1.00 0.45 H new ATOM 0 HA ILE A 109 11.130 -0.477 0.586 1.00 0.44 H new ATOM 0 HB ILE A 109 9.346 -0.686 -1.861 1.00 0.51 H new ATOM 0 HG12 ILE A 109 10.884 1.602 -0.581 1.00 0.72 H new ATOM 0 HG13 ILE A 109 11.339 0.748 -2.041 1.00 0.72 H new ATOM 0 HG21 ILE A 109 7.849 0.946 -0.783 1.00 0.70 H new ATOM 0 HG22 ILE A 109 7.896 -0.595 0.106 1.00 0.70 H new ATOM 0 HG23 ILE A 109 8.793 0.815 0.719 1.00 0.70 H new ATOM 0 HD11 ILE A 109 10.300 2.898 -2.572 1.00 1.54 H new ATOM 0 HD12 ILE A 109 9.294 1.556 -3.167 1.00 1.54 H new ATOM 0 HD13 ILE A 109 8.832 2.424 -1.683 1.00 1.54 H new ATOM 1528 N THR A 110 9.692 -2.026 1.890 1.00 0.37 N ATOM 1529 CA THR A 110 8.903 -2.954 2.694 1.00 0.34 C ATOM 1530 C THR A 110 7.744 -2.238 3.378 1.00 0.32 C ATOM 1531 O THR A 110 7.899 -1.123 3.875 1.00 0.37 O ATOM 1532 CB THR A 110 9.769 -3.645 3.765 1.00 0.39 C ATOM 1533 OG1 THR A 110 10.898 -4.277 3.151 1.00 0.44 O ATOM 1534 CG2 THR A 110 8.963 -4.681 4.533 1.00 0.41 C ATOM 0 H THR A 110 10.199 -1.326 2.431 1.00 0.37 H new ATOM 0 HA THR A 110 8.510 -3.709 2.013 1.00 0.34 H new ATOM 0 HB THR A 110 10.112 -2.883 4.465 1.00 0.39 H new ATOM 0 HG1 THR A 110 11.444 -4.712 3.839 1.00 0.44 H new ATOM 0 HG21 THR A 110 9.598 -5.154 5.282 1.00 0.41 H new ATOM 0 HG22 THR A 110 8.121 -4.195 5.025 1.00 0.41 H new ATOM 0 HG23 THR A 110 8.592 -5.438 3.842 1.00 0.41 H new ATOM 1539 N ASN A 111 6.584 -2.884 3.400 1.00 0.31 N ATOM 1540 CA ASN A 111 5.399 -2.306 4.026 1.00 0.33 C ATOM 1541 C ASN A 111 4.875 -3.213 5.133 1.00 0.31 C ATOM 1542 O ASN A 111 4.777 -4.428 4.956 1.00 0.32 O ATOM 1543 CB ASN A 111 4.312 -2.066 2.979 1.00 0.39 C ATOM 1544 CG ASN A 111 4.749 -1.085 1.909 1.00 1.15 C ATOM 1545 OD1 ASN A 111 5.316 -1.474 0.887 1.00 1.89 O ATOM 1546 ND2 ASN A 111 4.490 0.196 2.140 1.00 1.95 N ATOM 0 H ASN A 111 6.438 -3.807 2.992 1.00 0.31 H new ATOM 0 HA ASN A 111 5.678 -1.350 4.470 1.00 0.33 H new ATOM 0 HB2 ASN A 111 4.045 -3.014 2.512 1.00 0.39 H new ATOM 0 HB3 ASN A 111 3.415 -1.689 3.470 1.00 0.39 H new ATOM 0 HD21 ASN A 111 4.763 0.903 1.457 1.00 1.95 H new ATOM 0 HD22 ASN A 111 4.018 0.474 3.001 1.00 1.95 H new ATOM 1551 N THR A 112 4.538 -2.618 6.274 1.00 0.31 N ATOM 1552 CA THR A 112 4.032 -3.381 7.411 1.00 0.30 C ATOM 1553 C THR A 112 2.628 -2.939 7.800 1.00 0.30 C ATOM 1554 O THR A 112 2.413 -1.790 8.188 1.00 0.32 O ATOM 1555 CB THR A 112 4.944 -3.238 8.643 1.00 0.32 C ATOM 1556 OG1 THR A 112 6.289 -2.964 8.231 1.00 0.47 O ATOM 1557 CG2 THR A 112 4.920 -4.511 9.477 1.00 0.57 C ATOM 0 H THR A 112 4.606 -1.613 6.436 1.00 0.31 H new ATOM 0 HA THR A 112 4.013 -4.423 7.092 1.00 0.30 H new ATOM 0 HB THR A 112 4.574 -2.411 9.248 1.00 0.32 H new ATOM 0 HG1 THR A 112 6.351 -2.040 7.909 1.00 0.47 H new ATOM 0 HG21 THR A 112 5.571 -4.391 10.343 1.00 0.57 H new ATOM 0 HG22 THR A 112 3.902 -4.707 9.812 1.00 0.57 H new ATOM 0 HG23 THR A 112 5.271 -5.348 8.873 1.00 0.57 H new ATOM 1562 N MET A 113 1.675 -3.856 7.693 1.00 0.31 N ATOM 1563 CA MET A 113 0.293 -3.572 8.054 1.00 0.33 C ATOM 1564 C MET A 113 -0.183 -4.570 9.102 1.00 0.33 C ATOM 1565 O MET A 113 -0.182 -5.778 8.863 1.00 0.35 O ATOM 1566 CB MET A 113 -0.609 -3.632 6.819 1.00 0.36 C ATOM 1567 CG MET A 113 -0.215 -2.650 5.726 1.00 0.45 C ATOM 1568 SD MET A 113 -1.288 -2.753 4.281 1.00 0.55 S ATOM 1569 CE MET A 113 -0.568 -1.488 3.235 1.00 1.51 C ATOM 0 H MET A 113 1.835 -4.806 7.358 1.00 0.31 H new ATOM 0 HA MET A 113 0.240 -2.566 8.469 1.00 0.33 H new ATOM 0 HB2 MET A 113 -0.586 -4.643 6.412 1.00 0.36 H new ATOM 0 HB3 MET A 113 -1.637 -3.433 7.121 1.00 0.36 H new ATOM 0 HG2 MET A 113 -0.246 -1.636 6.125 1.00 0.45 H new ATOM 0 HG3 MET A 113 0.814 -2.842 5.424 1.00 0.45 H new ATOM 0 HE1 MET A 113 -1.124 -1.430 2.299 1.00 1.51 H new ATOM 0 HE2 MET A 113 -0.614 -0.525 3.744 1.00 1.51 H new ATOM 0 HE3 MET A 113 0.472 -1.738 3.025 1.00 1.51 H new ATOM 1579 N THR A 114 -0.587 -4.064 10.259 1.00 0.34 N ATOM 1580 CA THR A 114 -1.052 -4.925 11.339 1.00 0.35 C ATOM 1581 C THR A 114 -2.480 -4.584 11.746 1.00 0.39 C ATOM 1582 O THR A 114 -2.773 -3.453 12.135 1.00 0.43 O ATOM 1583 CB THR A 114 -0.134 -4.821 12.572 1.00 0.42 C ATOM 1584 OG1 THR A 114 1.195 -5.233 12.229 1.00 0.54 O ATOM 1585 CG2 THR A 114 -0.654 -5.680 13.716 1.00 0.56 C ATOM 0 H THR A 114 -0.603 -3.067 10.474 1.00 0.34 H new ATOM 0 HA THR A 114 -1.026 -5.947 10.961 1.00 0.35 H new ATOM 0 HB THR A 114 -0.123 -3.781 12.898 1.00 0.42 H new ATOM 0 HG1 THR A 114 1.773 -5.163 13.017 1.00 0.54 H new ATOM 0 HG21 THR A 114 0.013 -5.587 14.573 1.00 0.56 H new ATOM 0 HG22 THR A 114 -1.653 -5.347 13.996 1.00 0.56 H new ATOM 0 HG23 THR A 114 -0.695 -6.722 13.399 1.00 0.56 H new ATOM 1590 N LEU A 115 -3.361 -5.574 11.657 1.00 0.42 N ATOM 1591 CA LEU A 115 -4.759 -5.392 12.020 1.00 0.50 C ATOM 1592 C LEU A 115 -5.229 -6.530 12.916 1.00 0.60 C ATOM 1593 O LEU A 115 -5.258 -7.688 12.501 1.00 0.67 O ATOM 1594 CB LEU A 115 -5.628 -5.313 10.763 1.00 0.56 C ATOM 1595 CG LEU A 115 -5.362 -6.396 9.714 1.00 1.04 C ATOM 1596 CD1 LEU A 115 -6.596 -6.614 8.852 1.00 1.80 C ATOM 1597 CD2 LEU A 115 -4.171 -6.014 8.846 1.00 1.85 C ATOM 0 H LEU A 115 -3.129 -6.514 11.335 1.00 0.42 H new ATOM 0 HA LEU A 115 -4.855 -4.456 12.570 1.00 0.50 H new ATOM 0 HB2 LEU A 115 -6.675 -5.369 11.061 1.00 0.56 H new ATOM 0 HB3 LEU A 115 -5.480 -4.338 10.300 1.00 0.56 H new ATOM 0 HG LEU A 115 -5.130 -7.328 10.230 1.00 1.04 H new ATOM 0 HD11 LEU A 115 -6.391 -7.387 8.111 1.00 1.80 H new ATOM 0 HD12 LEU A 115 -7.429 -6.927 9.482 1.00 1.80 H new ATOM 0 HD13 LEU A 115 -6.854 -5.685 8.344 1.00 1.80 H new ATOM 0 HD21 LEU A 115 -3.995 -6.794 8.106 1.00 1.85 H new ATOM 0 HD22 LEU A 115 -4.378 -5.072 8.338 1.00 1.85 H new ATOM 0 HD23 LEU A 115 -3.286 -5.902 9.472 1.00 1.85 H new ATOM 1603 N GLY A 116 -5.595 -6.191 14.147 1.00 0.69 N ATOM 1604 CA GLY A 116 -6.042 -7.199 15.089 1.00 0.84 C ATOM 1605 C GLY A 116 -4.890 -8.035 15.604 1.00 0.93 C ATOM 1606 O GLY A 116 -4.422 -7.839 16.725 1.00 1.80 O ATOM 0 H GLY A 116 -5.590 -5.237 14.509 1.00 0.69 H new ATOM 0 HA2 GLY A 116 -6.544 -6.716 15.927 1.00 0.84 H new ATOM 0 HA3 GLY A 116 -6.775 -7.847 14.608 1.00 0.84 H new ATOM 1610 N ASP A 117 -4.430 -8.968 14.778 1.00 0.53 N ATOM 1611 CA ASP A 117 -3.316 -9.836 15.143 1.00 0.54 C ATOM 1612 C ASP A 117 -2.606 -10.374 13.898 1.00 0.50 C ATOM 1613 O ASP A 117 -1.694 -11.193 13.998 1.00 0.56 O ATOM 1614 CB ASP A 117 -3.815 -10.996 16.007 1.00 0.61 C ATOM 1615 CG ASP A 117 -2.686 -11.860 16.537 1.00 1.52 C ATOM 1616 OD1 ASP A 117 -2.058 -11.464 17.543 1.00 2.23 O ATOM 1617 OD2 ASP A 117 -2.427 -12.928 15.946 1.00 2.14 O ATOM 0 H ASP A 117 -4.812 -9.143 13.849 1.00 0.53 H new ATOM 0 HA ASP A 117 -2.599 -9.247 15.714 1.00 0.54 H new ATOM 0 HB2 ASP A 117 -4.387 -10.599 16.845 1.00 0.61 H new ATOM 0 HB3 ASP A 117 -4.495 -11.614 15.421 1.00 0.61 H new ATOM 1622 N ILE A 118 -3.027 -9.904 12.724 1.00 0.45 N ATOM 1623 CA ILE A 118 -2.435 -10.346 11.469 1.00 0.45 C ATOM 1624 C ILE A 118 -1.245 -9.483 11.067 1.00 0.38 C ATOM 1625 O ILE A 118 -1.290 -8.255 11.176 1.00 0.37 O ATOM 1626 CB ILE A 118 -3.461 -10.320 10.330 1.00 0.50 C ATOM 1627 CG1 ILE A 118 -4.844 -10.716 10.855 1.00 0.53 C ATOM 1628 CG2 ILE A 118 -3.015 -11.244 9.206 1.00 0.61 C ATOM 1629 CD1 ILE A 118 -4.990 -12.187 11.180 1.00 0.83 C ATOM 0 H ILE A 118 -3.775 -9.218 12.619 1.00 0.45 H new ATOM 0 HA ILE A 118 -2.095 -11.368 11.636 1.00 0.45 H new ATOM 0 HB ILE A 118 -3.529 -9.308 9.932 1.00 0.50 H new ATOM 0 HG12 ILE A 118 -5.059 -10.135 11.752 1.00 0.53 H new ATOM 0 HG13 ILE A 118 -5.593 -10.444 10.112 1.00 0.53 H new ATOM 0 HG21 ILE A 118 -3.750 -11.219 8.401 1.00 0.61 H new ATOM 0 HG22 ILE A 118 -2.049 -10.914 8.825 1.00 0.61 H new ATOM 0 HG23 ILE A 118 -2.927 -12.262 9.585 1.00 0.61 H new ATOM 0 HD11 ILE A 118 -5.999 -12.381 11.545 1.00 0.83 H new ATOM 0 HD12 ILE A 118 -4.809 -12.778 10.282 1.00 0.83 H new ATOM 0 HD13 ILE A 118 -4.267 -12.464 11.948 1.00 0.83 H new ATOM 1633 N VAL A 119 -0.185 -10.136 10.595 1.00 0.40 N ATOM 1634 CA VAL A 119 1.023 -9.441 10.162 1.00 0.36 C ATOM 1635 C VAL A 119 1.127 -9.422 8.641 1.00 0.35 C ATOM 1636 O VAL A 119 1.169 -10.472 7.999 1.00 0.38 O ATOM 1637 CB VAL A 119 2.287 -10.100 10.746 1.00 0.40 C ATOM 1638 CG1 VAL A 119 3.541 -9.372 10.280 1.00 1.35 C ATOM 1639 CG2 VAL A 119 2.219 -10.131 12.266 1.00 1.31 C ATOM 0 H VAL A 119 -0.140 -11.151 10.503 1.00 0.40 H new ATOM 0 HA VAL A 119 0.953 -8.418 10.531 1.00 0.36 H new ATOM 0 HB VAL A 119 2.336 -11.126 10.382 1.00 0.40 H new ATOM 0 HG11 VAL A 119 4.421 -9.855 10.705 1.00 1.35 H new ATOM 0 HG12 VAL A 119 3.598 -9.406 9.192 1.00 1.35 H new ATOM 0 HG13 VAL A 119 3.502 -8.334 10.609 1.00 1.35 H new ATOM 0 HG21 VAL A 119 3.120 -10.600 12.661 1.00 1.31 H new ATOM 0 HG22 VAL A 119 2.143 -9.113 12.648 1.00 1.31 H new ATOM 0 HG23 VAL A 119 1.345 -10.702 12.580 1.00 1.31 H new ATOM 1643 N TYR A 120 1.168 -8.221 8.071 1.00 0.38 N ATOM 1644 CA TYR A 120 1.264 -8.065 6.624 1.00 0.38 C ATOM 1645 C TYR A 120 2.599 -7.430 6.235 1.00 0.37 C ATOM 1646 O TYR A 120 2.903 -6.309 6.642 1.00 0.41 O ATOM 1647 CB TYR A 120 0.104 -7.197 6.127 1.00 0.43 C ATOM 1648 CG TYR A 120 0.015 -7.074 4.621 1.00 0.67 C ATOM 1649 CD1 TYR A 120 0.766 -6.127 3.934 1.00 0.96 C ATOM 1650 CD2 TYR A 120 -0.825 -7.902 3.885 1.00 0.77 C ATOM 1651 CE1 TYR A 120 0.683 -6.010 2.559 1.00 1.28 C ATOM 1652 CE2 TYR A 120 -0.915 -7.789 2.511 1.00 1.08 C ATOM 1653 CZ TYR A 120 -0.159 -6.844 1.853 1.00 1.32 C ATOM 1654 OH TYR A 120 -0.246 -6.729 0.484 1.00 1.67 O ATOM 0 H TYR A 120 1.136 -7.343 8.589 1.00 0.38 H new ATOM 0 HA TYR A 120 1.208 -9.049 6.159 1.00 0.38 H new ATOM 0 HB2 TYR A 120 -0.831 -7.613 6.501 1.00 0.43 H new ATOM 0 HB3 TYR A 120 0.203 -6.200 6.555 1.00 0.43 H new ATOM 0 HD1 TYR A 120 1.425 -5.472 4.484 1.00 0.96 H new ATOM 0 HD2 TYR A 120 -1.417 -8.646 4.396 1.00 0.77 H new ATOM 0 HE1 TYR A 120 1.274 -5.270 2.040 1.00 1.28 H new ATOM 0 HE2 TYR A 120 -1.575 -8.439 1.955 1.00 1.08 H new ATOM 0 HH TYR A 120 -0.882 -7.390 0.140 1.00 1.67 H new ATOM 1664 N LYS A 121 3.390 -8.154 5.448 1.00 0.35 N ATOM 1665 CA LYS A 121 4.686 -7.654 4.999 1.00 0.36 C ATOM 1666 C LYS A 121 4.830 -7.793 3.485 1.00 0.35 C ATOM 1667 O LYS A 121 4.699 -8.889 2.940 1.00 0.36 O ATOM 1668 CB LYS A 121 5.819 -8.401 5.707 1.00 0.39 C ATOM 1669 CG LYS A 121 7.207 -7.930 5.298 1.00 0.91 C ATOM 1670 CD LYS A 121 8.296 -8.595 6.129 1.00 1.08 C ATOM 1671 CE LYS A 121 8.359 -10.094 5.883 1.00 1.35 C ATOM 1672 NZ LYS A 121 9.437 -10.743 6.680 1.00 2.05 N ATOM 0 H LYS A 121 3.157 -9.087 5.108 1.00 0.35 H new ATOM 0 HA LYS A 121 4.747 -6.596 5.253 1.00 0.36 H new ATOM 0 HB2 LYS A 121 5.706 -8.279 6.784 1.00 0.39 H new ATOM 0 HB3 LYS A 121 5.729 -9.466 5.495 1.00 0.39 H new ATOM 0 HG2 LYS A 121 7.369 -8.150 4.243 1.00 0.91 H new ATOM 0 HG3 LYS A 121 7.272 -6.848 5.412 1.00 0.91 H new ATOM 0 HD2 LYS A 121 9.260 -8.147 5.890 1.00 1.08 H new ATOM 0 HD3 LYS A 121 8.111 -8.408 7.187 1.00 1.08 H new ATOM 0 HE2 LYS A 121 7.399 -10.544 6.136 1.00 1.35 H new ATOM 0 HE3 LYS A 121 8.529 -10.281 4.823 1.00 1.35 H new ATOM 0 HZ1 LYS A 121 9.447 -11.764 6.484 1.00 2.05 H new ATOM 0 HZ2 LYS A 121 10.356 -10.332 6.420 1.00 2.05 H new ATOM 0 HZ3 LYS A 121 9.262 -10.587 7.693 1.00 2.05 H new ATOM 1686 N ARG A 122 5.106 -6.680 2.812 1.00 0.35 N ATOM 1687 CA ARG A 122 5.272 -6.685 1.361 1.00 0.36 C ATOM 1688 C ARG A 122 6.734 -6.485 0.977 1.00 0.34 C ATOM 1689 O ARG A 122 7.392 -5.559 1.452 1.00 0.36 O ATOM 1690 CB ARG A 122 4.401 -5.599 0.716 1.00 0.39 C ATOM 1691 CG ARG A 122 4.913 -5.112 -0.631 1.00 0.73 C ATOM 1692 CD ARG A 122 3.919 -4.176 -1.304 1.00 0.64 C ATOM 1693 NE ARG A 122 3.482 -3.105 -0.411 1.00 1.23 N ATOM 1694 CZ ARG A 122 2.532 -2.227 -0.722 1.00 1.44 C ATOM 1695 NH1 ARG A 122 1.928 -2.288 -1.902 1.00 1.14 N ATOM 1696 NH2 ARG A 122 2.186 -1.286 0.145 1.00 2.32 N ATOM 0 H ARG A 122 5.219 -5.764 3.247 1.00 0.35 H new ATOM 0 HA ARG A 122 4.951 -7.658 0.990 1.00 0.36 H new ATOM 0 HB2 ARG A 122 3.390 -5.986 0.590 1.00 0.39 H new ATOM 0 HB3 ARG A 122 4.335 -4.750 1.396 1.00 0.39 H new ATOM 0 HG2 ARG A 122 5.864 -4.597 -0.495 1.00 0.73 H new ATOM 0 HG3 ARG A 122 5.104 -5.967 -1.279 1.00 0.73 H new ATOM 0 HD2 ARG A 122 4.375 -3.742 -2.194 1.00 0.64 H new ATOM 0 HD3 ARG A 122 3.052 -4.747 -1.636 1.00 0.64 H new ATOM 0 HE ARG A 122 3.930 -3.026 0.502 1.00 1.23 H new ATOM 0 HH11 ARG A 122 2.192 -3.009 -2.573 1.00 1.14 H new ATOM 0 HH12 ARG A 122 1.200 -1.614 -2.138 1.00 1.14 H new ATOM 0 HH21 ARG A 122 2.648 -1.234 1.053 1.00 2.32 H new ATOM 0 HH22 ARG A 122 1.457 -0.614 -0.096 1.00 2.32 H new ATOM 1710 N VAL A 123 7.232 -7.365 0.114 1.00 0.32 N ATOM 1711 CA VAL A 123 8.611 -7.292 -0.352 1.00 0.32 C ATOM 1712 C VAL A 123 8.660 -6.801 -1.794 1.00 0.30 C ATOM 1713 O VAL A 123 8.099 -7.429 -2.692 1.00 0.33 O ATOM 1714 CB VAL A 123 9.310 -8.662 -0.265 1.00 0.36 C ATOM 1715 CG1 VAL A 123 10.753 -8.560 -0.733 1.00 0.41 C ATOM 1716 CG2 VAL A 123 9.242 -9.207 1.155 1.00 0.40 C ATOM 0 H VAL A 123 6.697 -8.140 -0.278 1.00 0.32 H new ATOM 0 HA VAL A 123 9.135 -6.590 0.296 1.00 0.32 H new ATOM 0 HB VAL A 123 8.788 -9.356 -0.924 1.00 0.36 H new ATOM 0 HG11 VAL A 123 11.228 -9.539 -0.663 1.00 0.41 H new ATOM 0 HG12 VAL A 123 10.777 -8.218 -1.768 1.00 0.41 H new ATOM 0 HG13 VAL A 123 11.290 -7.850 -0.104 1.00 0.41 H new ATOM 0 HG21 VAL A 123 9.741 -10.175 1.197 1.00 0.40 H new ATOM 0 HG22 VAL A 123 9.737 -8.514 1.835 1.00 0.40 H new ATOM 0 HG23 VAL A 123 8.199 -9.323 1.451 1.00 0.40 H new ATOM 1720 N SER A 124 9.331 -5.674 -2.013 1.00 0.30 N ATOM 1721 CA SER A 124 9.440 -5.104 -3.351 1.00 0.31 C ATOM 1722 C SER A 124 10.883 -4.744 -3.686 1.00 0.32 C ATOM 1723 O SER A 124 11.666 -4.390 -2.804 1.00 0.36 O ATOM 1724 CB SER A 124 8.554 -3.863 -3.470 1.00 0.35 C ATOM 1725 OG SER A 124 7.219 -4.149 -3.092 1.00 1.14 O ATOM 0 H SER A 124 9.805 -5.140 -1.285 1.00 0.30 H new ATOM 0 HA SER A 124 9.104 -5.858 -4.063 1.00 0.31 H new ATOM 0 HB2 SER A 124 8.951 -3.068 -2.839 1.00 0.35 H new ATOM 0 HB3 SER A 124 8.574 -3.496 -4.496 1.00 0.35 H new ATOM 0 HG SER A 124 6.675 -3.338 -3.176 1.00 1.14 H new ATOM 1731 N LYS A 125 11.225 -4.844 -4.968 1.00 0.35 N ATOM 1732 CA LYS A 125 12.572 -4.525 -5.431 1.00 0.39 C ATOM 1733 C LYS A 125 12.523 -3.544 -6.599 1.00 0.35 C ATOM 1734 O LYS A 125 11.605 -3.583 -7.418 1.00 0.38 O ATOM 1735 CB LYS A 125 13.308 -5.801 -5.847 1.00 0.52 C ATOM 1736 CG LYS A 125 12.599 -6.588 -6.928 1.00 0.88 C ATOM 1737 CD LYS A 125 13.577 -7.400 -7.765 1.00 1.37 C ATOM 1738 CE LYS A 125 14.202 -8.531 -6.962 1.00 1.37 C ATOM 1739 NZ LYS A 125 13.188 -9.533 -6.534 1.00 2.04 N ATOM 0 H LYS A 125 10.587 -5.144 -5.705 1.00 0.35 H new ATOM 0 HA LYS A 125 13.114 -4.057 -4.609 1.00 0.39 H new ATOM 0 HB2 LYS A 125 14.306 -5.536 -6.198 1.00 0.52 H new ATOM 0 HB3 LYS A 125 13.436 -6.438 -4.972 1.00 0.52 H new ATOM 0 HG2 LYS A 125 11.868 -7.256 -6.472 1.00 0.88 H new ATOM 0 HG3 LYS A 125 12.047 -5.905 -7.574 1.00 0.88 H new ATOM 0 HD2 LYS A 125 13.060 -7.812 -8.631 1.00 1.37 H new ATOM 0 HD3 LYS A 125 14.362 -6.746 -8.144 1.00 1.37 H new ATOM 0 HE2 LYS A 125 14.968 -9.023 -7.562 1.00 1.37 H new ATOM 0 HE3 LYS A 125 14.700 -8.121 -6.084 1.00 1.37 H new ATOM 0 HZ1 LYS A 125 13.645 -10.460 -6.414 1.00 2.04 H new ATOM 0 HZ2 LYS A 125 12.765 -9.236 -5.632 1.00 2.04 H new ATOM 0 HZ3 LYS A 125 12.444 -9.605 -7.257 1.00 2.04 H new ATOM 1753 N ARG A 126 13.518 -2.664 -6.673 1.00 0.37 N ATOM 1754 CA ARG A 126 13.586 -1.673 -7.740 1.00 0.40 C ATOM 1755 C ARG A 126 13.951 -2.324 -9.070 1.00 0.44 C ATOM 1756 O ARG A 126 14.856 -3.156 -9.138 1.00 0.52 O ATOM 1757 CB ARG A 126 14.605 -0.584 -7.394 1.00 0.51 C ATOM 1758 CG ARG A 126 14.710 0.506 -8.448 1.00 0.63 C ATOM 1759 CD ARG A 126 15.715 1.575 -8.051 1.00 1.14 C ATOM 1760 NE ARG A 126 15.855 2.604 -9.079 1.00 1.70 N ATOM 1761 CZ ARG A 126 16.735 3.600 -9.016 1.00 2.27 C ATOM 1762 NH1 ARG A 126 17.553 3.700 -7.977 1.00 2.51 N ATOM 1763 NH2 ARG A 126 16.796 4.496 -9.990 1.00 3.09 N ATOM 0 H ARG A 126 14.288 -2.618 -6.006 1.00 0.37 H new ATOM 0 HA ARG A 126 12.600 -1.219 -7.839 1.00 0.40 H new ATOM 0 HB2 ARG A 126 14.331 -0.131 -6.441 1.00 0.51 H new ATOM 0 HB3 ARG A 126 15.584 -1.044 -7.259 1.00 0.51 H new ATOM 0 HG2 ARG A 126 15.005 0.065 -9.400 1.00 0.63 H new ATOM 0 HG3 ARG A 126 13.732 0.963 -8.598 1.00 0.63 H new ATOM 0 HD2 ARG A 126 15.401 2.038 -7.115 1.00 1.14 H new ATOM 0 HD3 ARG A 126 16.684 1.111 -7.868 1.00 1.14 H new ATOM 0 HE ARG A 126 15.242 2.556 -9.893 1.00 1.70 H new ATOM 0 HH11 ARG A 126 17.508 3.013 -7.225 1.00 2.51 H new ATOM 0 HH12 ARG A 126 18.227 4.464 -7.930 1.00 2.51 H new ATOM 0 HH21 ARG A 126 16.168 4.423 -10.790 1.00 3.09 H new ATOM 0 HH22 ARG A 126 17.471 5.259 -9.940 1.00 3.09 H new ATOM 1777 N ILE A 127 13.240 -1.938 -10.126 1.00 0.48 N ATOM 1778 CA ILE A 127 13.488 -2.480 -11.457 1.00 0.58 C ATOM 1779 C ILE A 127 13.513 -1.371 -12.504 1.00 0.75 C ATOM 1780 O ILE A 127 13.135 -0.233 -12.227 1.00 1.31 O ATOM 1781 CB ILE A 127 12.424 -3.520 -11.854 1.00 0.76 C ATOM 1782 CG1 ILE A 127 11.017 -2.930 -11.707 1.00 0.82 C ATOM 1783 CG2 ILE A 127 12.571 -4.777 -11.009 1.00 1.23 C ATOM 1784 CD1 ILE A 127 9.921 -3.839 -12.223 1.00 1.21 C ATOM 0 H ILE A 127 12.487 -1.251 -10.085 1.00 0.48 H new ATOM 0 HA ILE A 127 14.462 -2.968 -11.421 1.00 0.58 H new ATOM 0 HB ILE A 127 12.574 -3.789 -12.899 1.00 0.76 H new ATOM 0 HG12 ILE A 127 10.832 -2.712 -10.655 1.00 0.82 H new ATOM 0 HG13 ILE A 127 10.972 -1.981 -12.242 1.00 0.82 H new ATOM 0 HG21 ILE A 127 11.812 -5.503 -11.301 1.00 1.23 H new ATOM 0 HG22 ILE A 127 13.561 -5.205 -11.163 1.00 1.23 H new ATOM 0 HG23 ILE A 127 12.445 -4.524 -9.956 1.00 1.23 H new ATOM 0 HD11 ILE A 127 8.953 -3.356 -12.086 1.00 1.21 H new ATOM 0 HD12 ILE A 127 10.081 -4.037 -13.283 1.00 1.21 H new ATOM 0 HD13 ILE A 127 9.938 -4.779 -11.672 1.00 1.21 H new TER 1788 ILE A 127 HETATM 1789 C1 OLA A 128 -10.306 -9.168 -12.465 1.00 4.80 C HETATM 1790 O1 OLA A 128 -10.502 -8.816 -13.647 1.00 5.27 O HETATM 1791 O2 OLA A 128 -11.175 -9.723 -11.762 1.00 5.34 O HETATM 1792 C2 OLA A 128 -8.954 -8.877 -11.842 1.00 3.99 C HETATM 1793 C3 OLA A 128 -9.070 -8.222 -10.475 1.00 2.99 C HETATM 1794 C4 OLA A 128 -7.893 -7.303 -10.196 1.00 2.27 C HETATM 1795 C5 OLA A 128 -6.993 -7.860 -9.104 1.00 1.37 C HETATM 1796 C6 OLA A 128 -7.584 -7.631 -7.721 1.00 1.21 C HETATM 1797 C7 OLA A 128 -6.681 -8.184 -6.630 1.00 1.40 C HETATM 1798 C8 OLA A 128 -6.239 -7.096 -5.667 1.00 1.72 C HETATM 1799 C9 OLA A 128 -6.978 -7.201 -4.439 1.00 2.12 C HETATM 1800 C10 OLA A 128 -6.640 -6.424 -3.339 1.00 2.24 C HETATM 1801 C11 OLA A 128 -5.542 -5.498 -3.404 1.00 1.95 C HETATM 1802 C12 OLA A 128 -5.366 -4.813 -2.058 1.00 1.93 C HETATM 1803 C13 OLA A 128 -5.864 -3.377 -2.092 1.00 2.05 C HETATM 1804 C14 OLA A 128 -4.735 -2.400 -2.377 1.00 2.14 C HETATM 1805 C15 OLA A 128 -4.922 -1.093 -1.624 1.00 2.46 C HETATM 1806 C16 OLA A 128 -5.256 0.051 -2.568 1.00 2.76 C HETATM 1807 C17 OLA A 128 -6.754 0.292 -2.646 1.00 3.48 C HETATM 1808 C18 OLA A 128 -7.055 1.770 -2.528 1.00 4.18 C HETATM 0 H183 OLA A 128 -6.684 2.142 -1.573 1.00 4.18 H new HETATM 0 H182 OLA A 128 -6.566 2.307 -3.341 1.00 4.18 H new HETATM 0 H181 OLA A 128 -8.132 1.928 -2.586 1.00 4.18 H new HETATM 0 H172 OLA A 128 -7.142 -0.091 -3.590 1.00 3.48 H new HETATM 0 H171 OLA A 128 -7.259 -0.254 -1.849 1.00 3.48 H new HETATM 0 H162 OLA A 128 -4.758 0.960 -2.230 1.00 2.76 H new HETATM 0 H161 OLA A 128 -4.871 -0.173 -3.563 1.00 2.76 H new HETATM 0 H152 OLA A 128 -5.720 -1.206 -0.890 1.00 2.46 H new HETATM 0 H151 OLA A 128 -4.012 -0.857 -1.072 1.00 2.46 H new HETATM 0 H142 OLA A 128 -3.783 -2.850 -2.094 1.00 2.14 H new HETATM 0 H141 OLA A 128 -4.688 -2.200 -3.447 1.00 2.14 H new HETATM 0 H132 OLA A 128 -6.635 -3.277 -2.856 1.00 2.05 H new HETATM 0 H131 OLA A 128 -6.328 -3.129 -1.137 1.00 2.05 H new HETATM 0 H122 OLA A 128 -5.908 -5.369 -1.293 1.00 1.93 H new HETATM 0 H121 OLA A 128 -4.313 -4.827 -1.777 1.00 1.93 H new HETATM 0 H112 OLA A 128 -4.627 -6.023 -3.677 1.00 1.95 H new HETATM 0 H111 OLA A 128 -5.727 -4.755 -4.179 1.00 1.95 H new HETATM 0 HO2 OLA A 128 -11.775 -10.245 -12.335 1.00 5.34 H new HETATM 0 H9 OLA A 128 -7.813 -7.898 -4.370 1.00 2.12 H new HETATM 0 H82 OLA A 128 -5.171 -7.186 -5.468 1.00 1.72 H new HETATM 0 H81 OLA A 128 -6.398 -6.115 -6.115 1.00 1.72 H new HETATM 0 H72 OLA A 128 -7.208 -8.965 -6.081 1.00 1.40 H new HETATM 0 H71 OLA A 128 -5.805 -8.648 -7.082 1.00 1.40 H new HETATM 0 H62 OLA A 128 -7.737 -6.564 -7.562 1.00 1.21 H new HETATM 0 H61 OLA A 128 -8.563 -8.106 -7.660 1.00 1.21 H new HETATM 0 H52 OLA A 128 -6.843 -8.928 -9.264 1.00 1.37 H new HETATM 0 H51 OLA A 128 -6.012 -7.388 -9.164 1.00 1.37 H new HETATM 0 H42 OLA A 128 -7.314 -7.165 -11.109 1.00 2.27 H new HETATM 0 H41 OLA A 128 -8.260 -6.321 -9.899 1.00 2.27 H new HETATM 0 H32 OLA A 128 -9.998 -7.653 -10.421 1.00 2.99 H new HETATM 0 H31 OLA A 128 -9.123 -8.992 -9.705 1.00 2.99 H new HETATM 0 H22 OLA A 128 -8.393 -9.807 -11.749 1.00 3.99 H new HETATM 0 H21 OLA A 128 -8.385 -8.226 -12.506 1.00 3.99 H new HETATM 0 H10 OLA A 128 -7.213 -6.517 -2.416 1.00 2.24 H new HETATM 1842 C1 OLA A 129 5.231 2.557 -0.902 1.00 2.32 C HETATM 1843 O1 OLA A 129 6.349 2.799 -1.402 1.00 2.82 O HETATM 1844 O2 OLA A 129 4.434 1.722 -1.381 1.00 2.88 O HETATM 1845 C2 OLA A 129 4.849 3.265 0.383 1.00 1.83 C HETATM 1846 C3 OLA A 129 3.410 3.755 0.379 1.00 1.51 C HETATM 1847 C4 OLA A 129 2.812 3.737 1.777 1.00 1.30 C HETATM 1848 C5 OLA A 129 3.074 5.041 2.513 1.00 1.27 C HETATM 1849 C6 OLA A 129 2.001 6.077 2.218 1.00 1.29 C HETATM 1850 C7 OLA A 129 0.723 5.793 2.993 1.00 1.40 C HETATM 1851 C8 OLA A 129 -0.330 6.863 2.749 1.00 1.59 C HETATM 1852 C9 OLA A 129 -1.309 6.380 1.813 1.00 1.46 C HETATM 1853 C10 OLA A 129 -2.403 5.633 2.237 1.00 1.19 C HETATM 1854 C11 OLA A 129 -2.591 5.318 3.627 1.00 1.04 C HETATM 1855 C12 OLA A 129 -3.536 4.134 3.760 1.00 1.25 C HETATM 1856 C13 OLA A 129 -2.807 2.815 3.559 1.00 1.80 C HETATM 1857 C14 OLA A 129 -3.572 1.889 2.627 1.00 2.20 C HETATM 1858 C15 OLA A 129 -3.381 2.278 1.170 1.00 2.16 C HETATM 1859 C16 OLA A 129 -2.178 1.578 0.559 1.00 2.10 C HETATM 1860 C17 OLA A 129 -1.616 2.361 -0.616 1.00 1.84 C HETATM 1861 C18 OLA A 129 -0.137 2.606 -0.421 1.00 2.46 C HETATM 0 H183 OLA A 129 0.020 3.176 0.495 1.00 2.46 H new HETATM 0 H182 OLA A 129 0.383 1.651 -0.348 1.00 2.46 H new HETATM 0 H181 OLA A 129 0.254 3.168 -1.269 1.00 2.46 H new HETATM 0 H172 OLA A 129 -1.782 1.810 -1.542 1.00 1.84 H new HETATM 0 H171 OLA A 129 -2.140 3.312 -0.713 1.00 1.84 H new HETATM 0 H162 OLA A 129 -1.405 1.452 1.317 1.00 2.10 H new HETATM 0 H161 OLA A 129 -2.465 0.580 0.228 1.00 2.10 H new HETATM 0 H152 OLA A 129 -4.277 2.024 0.604 1.00 2.16 H new HETATM 0 H151 OLA A 129 -3.252 3.358 1.095 1.00 2.16 H new HETATM 0 H142 OLA A 129 -3.237 0.863 2.777 1.00 2.20 H new HETATM 0 H141 OLA A 129 -4.633 1.917 2.876 1.00 2.20 H new HETATM 0 H132 OLA A 129 -1.815 3.006 3.150 1.00 1.80 H new HETATM 0 H131 OLA A 129 -2.666 2.326 4.523 1.00 1.80 H new HETATM 0 H122 OLA A 129 -4.001 4.147 4.746 1.00 1.25 H new HETATM 0 H121 OLA A 129 -4.338 4.223 3.027 1.00 1.25 H new HETATM 0 H112 OLA A 129 -1.632 5.084 4.090 1.00 1.04 H new HETATM 0 H111 OLA A 129 -2.997 6.181 4.154 1.00 1.04 H new HETATM 0 HO2 OLA A 129 4.007 1.223 -0.654 1.00 2.88 H new HETATM 0 H9 OLA A 129 -1.192 6.603 0.753 1.00 1.46 H new HETATM 0 H82 OLA A 129 -0.813 7.131 3.688 1.00 1.59 H new HETATM 0 H81 OLA A 129 0.140 7.767 2.363 1.00 1.59 H new HETATM 0 H72 OLA A 129 0.328 4.820 2.701 1.00 1.40 H new HETATM 0 H71 OLA A 129 0.947 5.739 4.058 1.00 1.40 H new HETATM 0 H62 OLA A 129 2.371 7.069 2.476 1.00 1.29 H new HETATM 0 H61 OLA A 129 1.786 6.085 1.150 1.00 1.29 H new HETATM 0 H52 OLA A 129 3.113 4.852 3.586 1.00 1.27 H new HETATM 0 H51 OLA A 129 4.049 5.433 2.223 1.00 1.27 H new HETATM 0 H42 OLA A 129 1.738 3.564 1.712 1.00 1.30 H new HETATM 0 H41 OLA A 129 3.234 2.907 2.344 1.00 1.30 H new HETATM 0 H32 OLA A 129 3.370 4.768 -0.022 1.00 1.51 H new HETATM 0 H31 OLA A 129 2.812 3.127 -0.282 1.00 1.51 H new HETATM 0 H22 OLA A 129 4.995 2.587 1.224 1.00 1.83 H new HETATM 0 H21 OLA A 129 5.516 4.113 0.538 1.00 1.83 H new HETATM 0 H10 OLA A 129 -3.129 5.281 1.504 1.00 1.19 H new