USER MOD reduce.3.24.130724 H: found=0, std=0, add=590, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 588 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 31 ASN : amide:sc= -0.302 K(o=-0.3,f=-2.1!) USER MOD Set 1.2: A 76 SER OG : rot 170:sc= 0 USER MOD Set 2.1: A 21 HIS : no HE2:sc= -14.5! C(o=-20!,f=-20!) USER MOD Set 2.2: A 53 ASN : amide:sc= -5.22! C(o=-20!,f=-25!) USER MOD Single : A 7 ASN : amide:sc= -0.0167 K(o=-0.017,f=-1.1) USER MOD Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= -3.72! K(o=-3.7!,f=-1.5) USER MOD Single : A 18 HIS : no HD1:sc= 0 X(o=0,f=-0.0084) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 HIS : no HD1:sc= -0.113 X(o=-0.11,f=-0.21) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= -0.415 X(o=-0.41,f=-0.12) USER MOD Single : A 36 LYS NZ :NH3+ -157:sc= 0 (180deg=-0.00168) USER MOD Single : A 38 GLN : amide:sc= -0.342 X(o=-0.34,f=-0.34) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ -150:sc= 0 (180deg=-0.0123) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 62 GLN : amide:sc=-0.00912 X(o=-0.0091,f=-0.2) USER MOD Single : A 65 GLN : amide:sc= -0.274 K(o=-0.27,f=-2.1!) USER MOD Single : A 66 GLN : amide:sc= -0.288 X(o=-0.29,f=-0.066) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 6 -12.729 -10.552 -0.157 1.00 6.51 N ATOM 2 CA ILE A 6 -14.127 -10.142 -0.196 1.00 5.95 C ATOM 3 C ILE A 6 -14.740 -10.202 1.198 1.00 5.14 C ATOM 4 O ILE A 6 -15.510 -9.324 1.586 1.00 5.46 O ATOM 5 CB ILE A 6 -14.910 -11.043 -1.145 1.00 6.67 C ATOM 6 CG1 ILE A 6 -14.137 -11.252 -2.446 1.00 7.44 C ATOM 7 CG2 ILE A 6 -16.291 -10.463 -1.431 1.00 6.84 C ATOM 8 CD1 ILE A 6 -14.027 -9.958 -3.247 1.00 8.10 C ATOM 0 HA ILE A 6 -14.176 -9.114 -0.556 1.00 5.95 H new ATOM 0 HB ILE A 6 -15.042 -12.011 -0.661 1.00 6.67 H new ATOM 0 HG12 ILE A 6 -13.139 -11.627 -2.221 1.00 7.44 H new ATOM 0 HG13 ILE A 6 -14.635 -12.012 -3.048 1.00 7.44 H new ATOM 0 HG21 ILE A 6 -16.830 -11.124 -2.110 1.00 6.84 H new ATOM 0 HG22 ILE A 6 -16.847 -10.370 -0.498 1.00 6.84 H new ATOM 0 HG23 ILE A 6 -16.185 -9.480 -1.890 1.00 6.84 H new ATOM 0 HD11 ILE A 6 -13.471 -10.145 -4.166 1.00 8.10 H new ATOM 0 HD12 ILE A 6 -15.025 -9.597 -3.494 1.00 8.10 H new ATOM 0 HD13 ILE A 6 -13.506 -9.206 -2.654 1.00 8.10 H new ATOM 20 N ASN A 7 -14.393 -11.244 1.947 1.00 4.48 N ATOM 21 CA ASN A 7 -14.909 -11.422 3.299 1.00 4.06 C ATOM 22 C ASN A 7 -14.337 -10.364 4.235 1.00 3.11 C ATOM 23 O ASN A 7 -13.160 -10.409 4.595 1.00 3.46 O ATOM 24 CB ASN A 7 -14.556 -12.814 3.814 1.00 4.82 C ATOM 25 CG ASN A 7 -15.410 -13.866 3.120 1.00 5.60 C ATOM 26 OD1 ASN A 7 -15.420 -13.961 1.892 1.00 5.87 O ATOM 27 ND2 ASN A 7 -16.130 -14.659 3.906 1.00 6.34 N ATOM 0 H ASN A 7 -13.756 -11.979 1.640 1.00 4.48 H new ATOM 0 HA ASN A 7 -15.993 -11.314 3.271 1.00 4.06 H new ATOM 0 HB2 ASN A 7 -13.500 -13.018 3.637 1.00 4.82 H new ATOM 0 HB3 ASN A 7 -14.713 -12.861 4.892 1.00 4.82 H new ATOM 0 HD21 ASN A 7 -16.722 -15.382 3.497 1.00 6.34 H new ATOM 0 HD22 ASN A 7 -16.091 -14.545 4.919 1.00 6.34 H new ATOM 34 N ARG A 8 -15.178 -9.412 4.627 1.00 2.49 N ATOM 35 CA ARG A 8 -14.763 -8.341 5.524 1.00 2.11 C ATOM 36 C ARG A 8 -13.585 -7.573 4.939 1.00 1.69 C ATOM 37 O ARG A 8 -12.468 -8.086 4.872 1.00 2.38 O ATOM 38 CB ARG A 8 -14.383 -8.918 6.884 1.00 2.95 C ATOM 39 CG ARG A 8 -15.475 -8.674 7.921 1.00 3.61 C ATOM 40 CD ARG A 8 -15.206 -7.413 8.735 1.00 4.57 C ATOM 41 NE ARG A 8 -15.108 -7.733 10.154 1.00 5.39 N ATOM 42 CZ ARG A 8 -14.670 -6.845 11.041 1.00 6.19 C ATOM 43 NH1 ARG A 8 -15.136 -5.604 11.022 1.00 6.74 N ATOM 44 NH2 ARG A 8 -13.767 -7.198 11.945 1.00 6.68 N ATOM 0 H ARG A 8 -16.154 -9.361 4.336 1.00 2.49 H new ATOM 0 HA ARG A 8 -15.598 -7.652 5.646 1.00 2.11 H new ATOM 0 HB2 ARG A 8 -14.203 -9.989 6.789 1.00 2.95 H new ATOM 0 HB3 ARG A 8 -13.450 -8.467 7.224 1.00 2.95 H new ATOM 0 HG2 ARG A 8 -16.439 -8.586 7.421 1.00 3.61 H new ATOM 0 HG3 ARG A 8 -15.540 -9.532 8.590 1.00 3.61 H new ATOM 0 HD2 ARG A 8 -14.281 -6.945 8.397 1.00 4.57 H new ATOM 0 HD3 ARG A 8 -16.006 -6.691 8.573 1.00 4.57 H new ATOM 0 HE ARG A 8 -15.382 -8.662 10.474 1.00 5.39 H new ATOM 0 HH11 ARG A 8 -15.831 -5.331 10.327 1.00 6.74 H new ATOM 0 HH12 ARG A 8 -14.800 -4.923 11.703 1.00 6.74 H new ATOM 0 HH21 ARG A 8 -13.407 -8.152 11.961 1.00 6.68 H new ATOM 0 HH22 ARG A 8 -13.432 -6.515 12.625 1.00 6.68 H new ATOM 58 N MET A 9 -13.841 -6.337 4.521 1.00 1.18 N ATOM 59 CA MET A 9 -12.802 -5.491 3.945 1.00 0.82 C ATOM 60 C MET A 9 -12.225 -6.124 2.684 1.00 0.72 C ATOM 61 O MET A 9 -12.120 -7.346 2.584 1.00 0.97 O ATOM 62 CB MET A 9 -11.689 -5.267 4.964 1.00 1.08 C ATOM 63 CG MET A 9 -12.105 -4.270 6.042 1.00 1.61 C ATOM 64 SD MET A 9 -10.794 -3.961 7.238 1.00 2.27 S ATOM 65 CE MET A 9 -11.698 -3.067 8.512 1.00 2.82 C ATOM 0 H MET A 9 -14.761 -5.899 4.571 1.00 1.18 H new ATOM 0 HA MET A 9 -13.249 -4.533 3.679 1.00 0.82 H new ATOM 0 HB2 MET A 9 -11.424 -6.217 5.429 1.00 1.08 H new ATOM 0 HB3 MET A 9 -10.797 -4.902 4.455 1.00 1.08 H new ATOM 0 HG2 MET A 9 -12.392 -3.330 5.571 1.00 1.61 H new ATOM 0 HG3 MET A 9 -12.985 -4.648 6.562 1.00 1.61 H new ATOM 0 HE1 MET A 9 -11.019 -2.805 9.324 1.00 2.82 H new ATOM 0 HE2 MET A 9 -12.123 -2.158 8.087 1.00 2.82 H new ATOM 0 HE3 MET A 9 -12.500 -3.696 8.898 1.00 2.82 H new ATOM 75 N ASP A 10 -11.849 -5.282 1.727 1.00 0.49 N ATOM 76 CA ASP A 10 -11.275 -5.753 0.469 1.00 0.42 C ATOM 77 C ASP A 10 -9.762 -5.581 0.484 1.00 0.38 C ATOM 78 O ASP A 10 -9.257 -4.459 0.544 1.00 0.54 O ATOM 79 CB ASP A 10 -11.873 -4.975 -0.700 1.00 0.44 C ATOM 80 CG ASP A 10 -13.031 -5.751 -1.313 1.00 0.86 C ATOM 81 OD1 ASP A 10 -12.800 -6.873 -1.808 1.00 1.55 O ATOM 82 OD2 ASP A 10 -14.167 -5.233 -1.296 1.00 1.53 O ATOM 0 H ASP A 10 -11.931 -4.268 1.798 1.00 0.49 H new ATOM 0 HA ASP A 10 -11.509 -6.811 0.351 1.00 0.42 H new ATOM 0 HB2 ASP A 10 -12.220 -4.000 -0.357 1.00 0.44 H new ATOM 0 HB3 ASP A 10 -11.108 -4.794 -1.455 1.00 0.44 H new ATOM 87 N TYR A 11 -9.040 -6.696 0.439 1.00 0.40 N ATOM 88 CA TYR A 11 -7.582 -6.663 0.457 1.00 0.37 C ATOM 89 C TYR A 11 -7.009 -7.007 -0.912 1.00 0.34 C ATOM 90 O TYR A 11 -7.715 -7.503 -1.789 1.00 0.38 O ATOM 91 CB TYR A 11 -7.053 -7.642 1.499 1.00 0.42 C ATOM 92 CG TYR A 11 -7.519 -9.057 1.265 1.00 0.48 C ATOM 93 CD1 TYR A 11 -8.698 -9.504 1.836 1.00 0.54 C ATOM 94 CD2 TYR A 11 -6.770 -9.916 0.480 1.00 0.57 C ATOM 95 CE1 TYR A 11 -9.125 -10.803 1.623 1.00 0.63 C ATOM 96 CE2 TYR A 11 -7.197 -11.214 0.267 1.00 0.67 C ATOM 97 CZ TYR A 11 -8.373 -11.651 0.834 1.00 0.67 C ATOM 98 OH TYR A 11 -8.798 -12.944 0.627 1.00 0.78 O ATOM 0 H TYR A 11 -9.440 -7.633 0.390 1.00 0.40 H new ATOM 0 HA TYR A 11 -7.268 -5.652 0.715 1.00 0.37 H new ATOM 0 HB2 TYR A 11 -5.963 -7.618 1.492 1.00 0.42 H new ATOM 0 HB3 TYR A 11 -7.373 -7.319 2.489 1.00 0.42 H new ATOM 0 HD1 TYR A 11 -9.286 -8.837 2.449 1.00 0.54 H new ATOM 0 HD2 TYR A 11 -5.849 -9.572 0.032 1.00 0.57 H new ATOM 0 HE1 TYR A 11 -10.043 -11.152 2.072 1.00 0.63 H new ATOM 0 HE2 TYR A 11 -6.609 -11.884 -0.343 1.00 0.67 H new ATOM 0 HH TYR A 11 -8.159 -13.410 0.049 1.00 0.78 H new ATOM 108 N VAL A 12 -5.718 -6.737 -1.080 1.00 0.34 N ATOM 109 CA VAL A 12 -5.024 -7.011 -2.334 1.00 0.34 C ATOM 110 C VAL A 12 -3.558 -6.617 -2.215 1.00 0.35 C ATOM 111 O VAL A 12 -3.239 -5.502 -1.802 1.00 0.51 O ATOM 112 CB VAL A 12 -5.679 -6.241 -3.477 1.00 0.38 C ATOM 113 CG1 VAL A 12 -5.567 -4.736 -3.248 1.00 0.52 C ATOM 114 CG2 VAL A 12 -5.059 -6.632 -4.815 1.00 0.81 C ATOM 0 H VAL A 12 -5.127 -6.326 -0.357 1.00 0.34 H new ATOM 0 HA VAL A 12 -5.089 -8.078 -2.545 1.00 0.34 H new ATOM 0 HB VAL A 12 -6.737 -6.503 -3.503 1.00 0.38 H new ATOM 0 HG11 VAL A 12 -6.040 -4.206 -4.075 1.00 0.52 H new ATOM 0 HG12 VAL A 12 -6.065 -4.472 -2.315 1.00 0.52 H new ATOM 0 HG13 VAL A 12 -4.516 -4.454 -3.191 1.00 0.52 H new ATOM 0 HG21 VAL A 12 -5.540 -6.072 -5.617 1.00 0.81 H new ATOM 0 HG22 VAL A 12 -3.993 -6.405 -4.802 1.00 0.81 H new ATOM 0 HG23 VAL A 12 -5.200 -7.700 -4.983 1.00 0.81 H new ATOM 124 N GLU A 13 -2.669 -7.538 -2.571 1.00 0.49 N ATOM 125 CA GLU A 13 -1.234 -7.285 -2.492 1.00 0.54 C ATOM 126 C GLU A 13 -0.678 -6.867 -3.848 1.00 0.50 C ATOM 127 O GLU A 13 -1.183 -7.277 -4.893 1.00 0.60 O ATOM 128 CB GLU A 13 -0.511 -8.537 -2.004 1.00 0.67 C ATOM 129 CG GLU A 13 -0.963 -9.779 -2.767 1.00 1.05 C ATOM 130 CD GLU A 13 0.064 -10.895 -2.618 1.00 1.43 C ATOM 131 OE1 GLU A 13 0.241 -11.393 -1.486 1.00 1.97 O ATOM 132 OE2 GLU A 13 0.689 -11.268 -3.632 1.00 2.05 O ATOM 0 H GLU A 13 -2.916 -8.465 -2.917 1.00 0.49 H new ATOM 0 HA GLU A 13 -1.070 -6.471 -1.786 1.00 0.54 H new ATOM 0 HB2 GLU A 13 0.565 -8.407 -2.124 1.00 0.67 H new ATOM 0 HB3 GLU A 13 -0.699 -8.675 -0.939 1.00 0.67 H new ATOM 0 HG2 GLU A 13 -1.930 -10.113 -2.391 1.00 1.05 H new ATOM 0 HG3 GLU A 13 -1.097 -9.537 -3.821 1.00 1.05 H new ATOM 139 N ILE A 14 0.373 -6.054 -3.820 1.00 0.48 N ATOM 140 CA ILE A 14 1.014 -5.579 -5.040 1.00 0.49 C ATOM 141 C ILE A 14 2.509 -5.875 -4.998 1.00 0.48 C ATOM 142 O ILE A 14 3.160 -5.688 -3.970 1.00 0.43 O ATOM 143 CB ILE A 14 0.780 -4.081 -5.207 1.00 0.52 C ATOM 144 CG1 ILE A 14 1.457 -3.300 -4.084 1.00 0.51 C ATOM 145 CG2 ILE A 14 -0.711 -3.767 -5.251 1.00 0.64 C ATOM 146 CD1 ILE A 14 1.357 -1.794 -4.311 1.00 0.63 C ATOM 0 H ILE A 14 0.800 -5.709 -2.961 1.00 0.48 H new ATOM 0 HA ILE A 14 0.577 -6.100 -5.892 1.00 0.49 H new ATOM 0 HB ILE A 14 1.222 -3.774 -6.155 1.00 0.52 H new ATOM 0 HG12 ILE A 14 0.995 -3.557 -3.131 1.00 0.51 H new ATOM 0 HG13 ILE A 14 2.506 -3.590 -4.018 1.00 0.51 H new ATOM 0 HG21 ILE A 14 -0.853 -2.693 -5.371 1.00 0.64 H new ATOM 0 HG22 ILE A 14 -1.168 -4.289 -6.091 1.00 0.64 H new ATOM 0 HG23 ILE A 14 -1.179 -4.094 -4.323 1.00 0.64 H new ATOM 0 HD11 ILE A 14 1.849 -1.269 -3.492 1.00 0.63 H new ATOM 0 HD12 ILE A 14 1.842 -1.535 -5.252 1.00 0.63 H new ATOM 0 HD13 ILE A 14 0.308 -1.501 -4.351 1.00 0.63 H new ATOM 158 N ASN A 15 3.045 -6.351 -6.117 1.00 0.59 N ATOM 159 CA ASN A 15 4.461 -6.690 -6.207 1.00 0.62 C ATOM 160 C ASN A 15 5.312 -5.444 -6.431 1.00 0.60 C ATOM 161 O ASN A 15 5.076 -4.676 -7.362 1.00 0.78 O ATOM 162 CB ASN A 15 4.686 -7.683 -7.343 1.00 0.79 C ATOM 163 CG ASN A 15 3.649 -8.797 -7.284 1.00 1.31 C ATOM 164 OD1 ASN A 15 2.775 -8.894 -8.145 1.00 2.20 O ATOM 165 ND2 ASN A 15 3.745 -9.642 -6.262 1.00 1.54 N ATOM 0 H ASN A 15 2.519 -6.511 -6.976 1.00 0.59 H new ATOM 0 HA ASN A 15 4.763 -7.143 -5.263 1.00 0.62 H new ATOM 0 HB2 ASN A 15 4.623 -7.169 -8.302 1.00 0.79 H new ATOM 0 HB3 ASN A 15 5.688 -8.106 -7.273 1.00 0.79 H new ATOM 0 HD21 ASN A 15 3.078 -10.408 -6.169 1.00 1.54 H new ATOM 0 HD22 ASN A 15 4.486 -9.524 -5.571 1.00 1.54 H new ATOM 172 N ILE A 16 6.313 -5.261 -5.572 1.00 0.49 N ATOM 173 CA ILE A 16 7.217 -4.119 -5.671 1.00 0.49 C ATOM 174 C ILE A 16 8.652 -4.563 -5.412 1.00 0.56 C ATOM 175 O ILE A 16 8.890 -5.544 -4.705 1.00 0.66 O ATOM 176 CB ILE A 16 6.825 -3.041 -4.664 1.00 0.48 C ATOM 177 CG1 ILE A 16 5.345 -2.680 -4.804 1.00 0.63 C ATOM 178 CG2 ILE A 16 7.705 -1.804 -4.823 1.00 0.58 C ATOM 179 CD1 ILE A 16 5.076 -1.836 -6.048 1.00 0.84 C ATOM 0 H ILE A 16 6.518 -5.892 -4.797 1.00 0.49 H new ATOM 0 HA ILE A 16 7.144 -3.707 -6.678 1.00 0.49 H new ATOM 0 HB ILE A 16 6.982 -3.440 -3.662 1.00 0.48 H new ATOM 0 HG12 ILE A 16 4.752 -3.593 -4.851 1.00 0.63 H new ATOM 0 HG13 ILE A 16 5.020 -2.134 -3.918 1.00 0.63 H new ATOM 0 HG21 ILE A 16 7.407 -1.050 -4.095 1.00 0.58 H new ATOM 0 HG22 ILE A 16 8.748 -2.076 -4.658 1.00 0.58 H new ATOM 0 HG23 ILE A 16 7.590 -1.402 -5.830 1.00 0.58 H new ATOM 0 HD11 ILE A 16 4.013 -1.603 -6.107 1.00 0.84 H new ATOM 0 HD12 ILE A 16 5.648 -0.910 -5.990 1.00 0.84 H new ATOM 0 HD13 ILE A 16 5.375 -2.392 -6.937 1.00 0.84 H new ATOM 191 N ASP A 17 9.609 -3.842 -5.987 1.00 0.63 N ATOM 192 CA ASP A 17 11.019 -4.168 -5.816 1.00 0.75 C ATOM 193 C ASP A 17 11.904 -3.054 -6.360 1.00 1.00 C ATOM 194 O ASP A 17 12.992 -3.311 -6.876 1.00 1.75 O ATOM 195 CB ASP A 17 11.333 -5.474 -6.535 1.00 1.27 C ATOM 196 CG ASP A 17 11.733 -6.550 -5.535 1.00 1.63 C ATOM 197 OD1 ASP A 17 10.848 -7.045 -4.807 1.00 2.16 O ATOM 198 OD2 ASP A 17 12.932 -6.894 -5.479 1.00 2.21 O ATOM 0 H ASP A 17 9.433 -3.028 -6.576 1.00 0.63 H new ATOM 0 HA ASP A 17 11.222 -4.278 -4.751 1.00 0.75 H new ATOM 0 HB2 ASP A 17 10.462 -5.802 -7.102 1.00 1.27 H new ATOM 0 HB3 ASP A 17 12.139 -5.317 -7.251 1.00 1.27 H new ATOM 203 N HIS A 18 11.435 -1.818 -6.243 1.00 1.27 N ATOM 204 CA HIS A 18 12.189 -0.667 -6.724 1.00 1.85 C ATOM 205 C HIS A 18 12.574 0.239 -5.562 1.00 1.32 C ATOM 206 O HIS A 18 12.466 1.462 -5.653 1.00 2.00 O ATOM 207 CB HIS A 18 11.362 0.114 -7.740 1.00 2.83 C ATOM 208 CG HIS A 18 11.229 -0.594 -9.052 1.00 3.48 C ATOM 209 ND1 HIS A 18 10.021 -0.926 -9.609 1.00 4.01 N ATOM 210 CD2 HIS A 18 12.156 -1.042 -9.938 1.00 4.16 C ATOM 211 CE1 HIS A 18 10.184 -1.537 -10.759 1.00 4.73 C ATOM 212 NE2 HIS A 18 11.483 -1.627 -10.995 1.00 4.84 N ATOM 0 H HIS A 18 10.536 -1.587 -5.819 1.00 1.27 H new ATOM 0 HA HIS A 18 13.099 -1.025 -7.205 1.00 1.85 H new ATOM 0 HB2 HIS A 18 10.369 0.296 -7.329 1.00 2.83 H new ATOM 0 HB3 HIS A 18 11.823 1.088 -7.904 1.00 2.83 H new ATOM 0 HD2 HIS A 18 13.228 -0.957 -9.835 1.00 4.16 H new ATOM 0 HE1 HIS A 18 9.396 -1.902 -11.401 1.00 4.73 H new ATOM 0 HE2 HIS A 18 11.914 -2.054 -11.815 1.00 4.84 H new ATOM 220 N LYS A 19 13.022 -0.370 -4.469 1.00 0.82 N ATOM 221 CA LYS A 19 13.423 0.380 -3.286 1.00 0.84 C ATOM 222 C LYS A 19 12.308 1.321 -2.849 1.00 0.77 C ATOM 223 O LYS A 19 12.567 2.433 -2.389 1.00 1.13 O ATOM 224 CB LYS A 19 14.691 1.176 -3.578 1.00 1.47 C ATOM 225 CG LYS A 19 15.933 0.292 -3.532 1.00 1.97 C ATOM 226 CD LYS A 19 17.145 0.993 -4.140 1.00 2.72 C ATOM 227 CE LYS A 19 17.363 0.582 -5.593 1.00 3.37 C ATOM 228 NZ LYS A 19 17.971 1.689 -6.383 1.00 4.03 N ATOM 0 H LYS A 19 13.116 -1.382 -4.379 1.00 0.82 H new ATOM 0 HA LYS A 19 13.621 -0.325 -2.478 1.00 0.84 H new ATOM 0 HB2 LYS A 19 14.611 1.641 -4.561 1.00 1.47 H new ATOM 0 HB3 LYS A 19 14.791 1.982 -2.851 1.00 1.47 H new ATOM 0 HG2 LYS A 19 16.149 0.021 -2.499 1.00 1.97 H new ATOM 0 HG3 LYS A 19 15.740 -0.636 -4.071 1.00 1.97 H new ATOM 0 HD2 LYS A 19 17.007 2.073 -4.084 1.00 2.72 H new ATOM 0 HD3 LYS A 19 18.034 0.754 -3.557 1.00 2.72 H new ATOM 0 HE2 LYS A 19 18.011 -0.294 -5.632 1.00 3.37 H new ATOM 0 HE3 LYS A 19 16.411 0.295 -6.039 1.00 3.37 H new ATOM 0 HZ1 LYS A 19 18.107 1.380 -7.367 1.00 4.03 H new ATOM 0 HZ2 LYS A 19 17.340 2.516 -6.364 1.00 4.03 H new ATOM 0 HZ3 LYS A 19 18.891 1.946 -5.970 1.00 4.03 H new ATOM 242 N PHE A 20 11.066 0.870 -2.994 1.00 0.63 N ATOM 243 CA PHE A 20 9.915 1.653 -2.623 1.00 0.61 C ATOM 244 C PHE A 20 9.759 1.691 -1.117 1.00 0.62 C ATOM 245 O PHE A 20 9.735 2.761 -0.511 1.00 0.95 O ATOM 246 CB PHE A 20 8.685 1.010 -3.235 1.00 0.62 C ATOM 247 CG PHE A 20 8.392 1.449 -4.657 1.00 0.75 C ATOM 248 CD1 PHE A 20 9.332 2.187 -5.359 1.00 1.08 C ATOM 249 CD2 PHE A 20 7.188 1.119 -5.268 1.00 0.96 C ATOM 250 CE1 PHE A 20 9.072 2.593 -6.656 1.00 1.26 C ATOM 251 CE2 PHE A 20 6.931 1.526 -6.564 1.00 1.17 C ATOM 252 CZ PHE A 20 7.839 2.238 -7.260 1.00 1.19 C ATOM 0 H PHE A 20 10.840 -0.050 -3.373 1.00 0.63 H new ATOM 0 HA PHE A 20 10.040 2.674 -2.984 1.00 0.61 H new ATOM 0 HB2 PHE A 20 8.810 -0.073 -3.220 1.00 0.62 H new ATOM 0 HB3 PHE A 20 7.821 1.240 -2.611 1.00 0.62 H new ATOM 0 HD1 PHE A 20 10.271 2.446 -4.892 1.00 1.08 H new ATOM 0 HD2 PHE A 20 6.451 0.543 -4.729 1.00 0.96 H new ATOM 0 HE1 PHE A 20 9.800 3.174 -7.202 1.00 1.26 H new ATOM 0 HE2 PHE A 20 5.989 1.270 -7.025 1.00 1.17 H new ATOM 0 HZ PHE A 20 7.628 2.538 -8.276 1.00 1.19 H new ATOM 262 N HIS A 21 9.637 0.507 -0.518 1.00 0.53 N ATOM 263 CA HIS A 21 9.459 0.386 0.924 1.00 0.57 C ATOM 264 C HIS A 21 10.345 1.366 1.676 1.00 0.69 C ATOM 265 O HIS A 21 11.330 1.869 1.136 1.00 1.03 O ATOM 266 CB HIS A 21 9.777 -1.025 1.391 1.00 0.54 C ATOM 267 CG HIS A 21 8.766 -2.034 0.946 1.00 0.47 C ATOM 268 ND1 HIS A 21 8.361 -3.087 1.723 1.00 0.48 N ATOM 269 CD2 HIS A 21 8.062 -2.161 -0.209 1.00 0.44 C ATOM 270 CE1 HIS A 21 7.468 -3.817 1.098 1.00 0.45 C ATOM 271 NE2 HIS A 21 7.259 -3.280 -0.092 1.00 0.42 N ATOM 0 H HIS A 21 9.659 -0.384 -1.014 1.00 0.53 H new ATOM 0 HA HIS A 21 8.415 0.615 1.138 1.00 0.57 H new ATOM 0 HB2 HIS A 21 10.759 -1.313 1.015 1.00 0.54 H new ATOM 0 HB3 HIS A 21 9.837 -1.036 2.479 1.00 0.54 H new ATOM 0 HD1 HIS A 21 8.708 -3.278 2.663 1.00 0.48 H new ATOM 0 HD2 HIS A 21 8.119 -1.505 -1.065 1.00 0.44 H new ATOM 0 HE1 HIS A 21 6.987 -4.702 1.488 1.00 0.45 H new ATOM 279 N ARG A 22 9.983 1.635 2.921 1.00 0.68 N ATOM 280 CA ARG A 22 10.735 2.559 3.753 1.00 0.80 C ATOM 281 C ARG A 22 10.574 3.981 3.228 1.00 0.81 C ATOM 282 O ARG A 22 10.008 4.843 3.899 1.00 0.92 O ATOM 283 CB ARG A 22 12.213 2.176 3.772 1.00 0.93 C ATOM 284 CG ARG A 22 12.408 0.696 4.085 1.00 1.64 C ATOM 285 CD ARG A 22 13.216 -0.006 2.998 1.00 2.14 C ATOM 286 NE ARG A 22 14.469 -0.515 3.543 1.00 2.73 N ATOM 287 CZ ARG A 22 15.497 0.288 3.799 1.00 3.33 C ATOM 288 NH1 ARG A 22 15.903 1.162 2.886 1.00 3.72 N ATOM 289 NH2 ARG A 22 16.121 0.218 4.967 1.00 3.95 N ATOM 0 H ARG A 22 9.169 1.224 3.378 1.00 0.68 H new ATOM 0 HA ARG A 22 10.347 2.507 4.770 1.00 0.80 H new ATOM 0 HB2 ARG A 22 12.661 2.406 2.805 1.00 0.93 H new ATOM 0 HB3 ARG A 22 12.735 2.777 4.516 1.00 0.93 H new ATOM 0 HG2 ARG A 22 12.917 0.590 5.043 1.00 1.64 H new ATOM 0 HG3 ARG A 22 11.436 0.214 4.185 1.00 1.64 H new ATOM 0 HD2 ARG A 22 12.635 -0.827 2.577 1.00 2.14 H new ATOM 0 HD3 ARG A 22 13.422 0.689 2.184 1.00 2.14 H new ATOM 0 HE ARG A 22 14.559 -1.513 3.733 1.00 2.73 H new ATOM 0 HH11 ARG A 22 15.426 1.218 1.986 1.00 3.72 H new ATOM 0 HH12 ARG A 22 16.692 1.777 3.084 1.00 3.72 H new ATOM 0 HH21 ARG A 22 15.812 -0.453 5.671 1.00 3.95 H new ATOM 0 HH22 ARG A 22 16.910 0.835 5.162 1.00 3.95 H new ATOM 303 N HIS A 23 11.071 4.214 2.016 1.00 0.90 N ATOM 304 CA HIS A 23 10.985 5.522 1.379 1.00 0.98 C ATOM 305 C HIS A 23 9.546 6.020 1.367 1.00 0.96 C ATOM 306 O HIS A 23 9.279 7.189 1.643 1.00 1.12 O ATOM 307 CB HIS A 23 11.510 5.433 -0.052 1.00 1.02 C ATOM 308 CG HIS A 23 12.948 5.827 -0.175 1.00 1.30 C ATOM 309 ND1 HIS A 23 13.833 5.782 0.870 1.00 1.83 N ATOM 310 CD2 HIS A 23 13.675 6.281 -1.229 1.00 1.56 C ATOM 311 CE1 HIS A 23 15.026 6.180 0.495 1.00 2.07 C ATOM 312 NE2 HIS A 23 14.968 6.494 -0.789 1.00 1.86 N ATOM 0 H HIS A 23 11.541 3.506 1.452 1.00 0.90 H new ATOM 0 HA HIS A 23 11.592 6.226 1.948 1.00 0.98 H new ATOM 0 HB2 HIS A 23 11.387 4.413 -0.415 1.00 1.02 H new ATOM 0 HB3 HIS A 23 10.907 6.075 -0.694 1.00 1.02 H new ATOM 0 HD2 HIS A 23 13.308 6.446 -2.231 1.00 1.56 H new ATOM 0 HE1 HIS A 23 15.902 6.241 1.124 1.00 2.07 H new ATOM 0 HE2 HIS A 23 15.744 6.835 -1.357 1.00 1.86 H new ATOM 320 N LEU A 24 8.620 5.124 1.038 1.00 0.86 N ATOM 321 CA LEU A 24 7.204 5.467 0.979 1.00 0.87 C ATOM 322 C LEU A 24 6.680 5.865 2.354 1.00 0.97 C ATOM 323 O LEU A 24 6.150 6.962 2.531 1.00 1.16 O ATOM 324 CB LEU A 24 6.407 4.280 0.441 1.00 0.73 C ATOM 325 CG LEU A 24 6.804 3.943 -0.993 1.00 0.76 C ATOM 326 CD1 LEU A 24 6.059 2.706 -1.486 1.00 0.72 C ATOM 327 CD2 LEU A 24 6.553 5.128 -1.919 1.00 1.25 C ATOM 0 H LEU A 24 8.827 4.152 0.808 1.00 0.86 H new ATOM 0 HA LEU A 24 7.084 6.319 0.310 1.00 0.87 H new ATOM 0 HB2 LEU A 24 6.571 3.411 1.079 1.00 0.73 H new ATOM 0 HB3 LEU A 24 5.342 4.508 0.481 1.00 0.73 H new ATOM 0 HG LEU A 24 7.872 3.724 -1.004 1.00 0.76 H new ATOM 0 HD11 LEU A 24 6.358 2.485 -2.511 1.00 0.72 H new ATOM 0 HD12 LEU A 24 6.300 1.857 -0.846 1.00 0.72 H new ATOM 0 HD13 LEU A 24 4.985 2.891 -1.454 1.00 0.72 H new ATOM 0 HD21 LEU A 24 6.844 4.863 -2.936 1.00 1.25 H new ATOM 0 HD22 LEU A 24 5.494 5.387 -1.900 1.00 1.25 H new ATOM 0 HD23 LEU A 24 7.141 5.982 -1.584 1.00 1.25 H new ATOM 339 N ILE A 25 6.824 4.968 3.324 1.00 0.92 N ATOM 340 CA ILE A 25 6.357 5.225 4.683 1.00 1.10 C ATOM 341 C ILE A 25 7.138 6.368 5.320 1.00 1.41 C ATOM 342 O ILE A 25 6.601 7.119 6.134 1.00 1.91 O ATOM 343 CB ILE A 25 6.502 3.966 5.527 1.00 0.94 C ATOM 344 CG1 ILE A 25 7.943 3.464 5.498 1.00 0.90 C ATOM 345 CG2 ILE A 25 5.549 2.879 5.044 1.00 1.06 C ATOM 346 CD1 ILE A 25 8.214 2.472 6.624 1.00 0.91 C ATOM 0 H ILE A 25 7.261 4.055 3.195 1.00 0.92 H new ATOM 0 HA ILE A 25 5.306 5.511 4.636 1.00 1.10 H new ATOM 0 HB ILE A 25 6.243 4.215 6.556 1.00 0.94 H new ATOM 0 HG12 ILE A 25 8.144 2.989 4.538 1.00 0.90 H new ATOM 0 HG13 ILE A 25 8.625 4.310 5.585 1.00 0.90 H new ATOM 0 HG21 ILE A 25 5.670 1.989 5.661 1.00 1.06 H new ATOM 0 HG22 ILE A 25 4.522 3.236 5.119 1.00 1.06 H new ATOM 0 HG23 ILE A 25 5.773 2.634 4.006 1.00 1.06 H new ATOM 0 HD11 ILE A 25 9.250 2.136 6.572 1.00 0.91 H new ATOM 0 HD12 ILE A 25 8.037 2.955 7.585 1.00 0.91 H new ATOM 0 HD13 ILE A 25 7.549 1.615 6.521 1.00 0.91 H new ATOM 358 N GLY A 26 8.407 6.491 4.950 1.00 1.49 N ATOM 359 CA GLY A 26 9.262 7.542 5.490 1.00 1.87 C ATOM 360 C GLY A 26 9.498 7.337 6.982 1.00 1.82 C ATOM 361 O GLY A 26 8.551 7.259 7.765 1.00 2.29 O ATOM 0 H GLY A 26 8.867 5.876 4.278 1.00 1.49 H new ATOM 0 HA2 GLY A 26 10.217 7.546 4.964 1.00 1.87 H new ATOM 0 HA3 GLY A 26 8.800 8.515 5.321 1.00 1.87 H new ATOM 365 N LYS A 27 10.767 7.250 7.370 1.00 1.86 N ATOM 366 CA LYS A 27 11.133 7.052 8.769 1.00 1.91 C ATOM 367 C LYS A 27 10.763 5.647 9.227 1.00 1.62 C ATOM 368 O LYS A 27 11.629 4.785 9.378 1.00 2.38 O ATOM 369 CB LYS A 27 10.429 8.084 9.647 1.00 2.21 C ATOM 370 CG LYS A 27 11.417 9.084 10.240 1.00 2.65 C ATOM 371 CD LYS A 27 12.523 8.383 11.026 1.00 3.30 C ATOM 372 CE LYS A 27 13.895 8.629 10.406 1.00 3.80 C ATOM 373 NZ LYS A 27 14.988 8.268 11.351 1.00 4.51 N ATOM 0 H LYS A 27 11.561 7.314 6.733 1.00 1.86 H new ATOM 0 HA LYS A 27 12.212 7.177 8.863 1.00 1.91 H new ATOM 0 HB2 LYS A 27 9.682 8.616 9.057 1.00 2.21 H new ATOM 0 HB3 LYS A 27 9.897 7.576 10.452 1.00 2.21 H new ATOM 0 HG2 LYS A 27 11.859 9.678 9.440 1.00 2.65 H new ATOM 0 HG3 LYS A 27 10.887 9.776 10.895 1.00 2.65 H new ATOM 0 HD2 LYS A 27 12.520 8.739 12.056 1.00 3.30 H new ATOM 0 HD3 LYS A 27 12.324 7.312 11.058 1.00 3.30 H new ATOM 0 HE2 LYS A 27 13.994 8.044 9.492 1.00 3.80 H new ATOM 0 HE3 LYS A 27 13.986 9.678 10.124 1.00 3.80 H new ATOM 0 HZ1 LYS A 27 15.909 8.446 10.901 1.00 4.51 H new ATOM 0 HZ2 LYS A 27 14.906 8.844 12.213 1.00 4.51 H new ATOM 0 HZ3 LYS A 27 14.913 7.261 11.600 1.00 4.51 H new ATOM 387 N SER A 28 9.471 5.421 9.449 1.00 1.28 N ATOM 388 CA SER A 28 8.987 4.119 9.892 1.00 1.60 C ATOM 389 C SER A 28 7.467 4.127 10.013 1.00 1.60 C ATOM 390 O SER A 28 6.913 3.669 11.012 1.00 2.28 O ATOM 391 CB SER A 28 9.612 3.761 11.236 1.00 1.99 C ATOM 392 OG SER A 28 10.155 2.449 11.195 1.00 2.57 O ATOM 0 H SER A 28 8.741 6.123 9.329 1.00 1.28 H new ATOM 0 HA SER A 28 9.274 3.372 9.152 1.00 1.60 H new ATOM 0 HB2 SER A 28 10.395 4.478 11.483 1.00 1.99 H new ATOM 0 HB3 SER A 28 8.860 3.826 12.023 1.00 1.99 H new ATOM 0 HG SER A 28 10.554 2.233 12.063 1.00 2.57 H new ATOM 398 N GLY A 29 6.799 4.649 8.990 1.00 1.21 N ATOM 399 CA GLY A 29 5.342 4.717 8.981 1.00 1.23 C ATOM 400 C GLY A 29 4.858 6.155 9.115 1.00 1.36 C ATOM 401 O GLY A 29 4.816 6.705 10.216 1.00 2.05 O ATOM 0 H GLY A 29 7.244 5.032 8.156 1.00 1.21 H new ATOM 0 HA2 GLY A 29 4.961 4.287 8.055 1.00 1.23 H new ATOM 0 HA3 GLY A 29 4.942 4.118 9.799 1.00 1.23 H new ATOM 405 N ALA A 30 4.494 6.760 7.989 1.00 1.00 N ATOM 406 CA ALA A 30 4.013 8.136 7.981 1.00 1.10 C ATOM 407 C ALA A 30 3.024 8.353 6.841 1.00 1.06 C ATOM 408 O ALA A 30 1.962 8.946 7.033 1.00 1.43 O ATOM 409 CB ALA A 30 5.188 9.099 7.835 1.00 1.27 C ATOM 0 H ALA A 30 4.523 6.318 7.070 1.00 1.00 H new ATOM 0 HA ALA A 30 3.504 8.328 8.926 1.00 1.10 H new ATOM 0 HB1 ALA A 30 4.819 10.125 7.830 1.00 1.27 H new ATOM 0 HB2 ALA A 30 5.875 8.964 8.671 1.00 1.27 H new ATOM 0 HB3 ALA A 30 5.710 8.897 6.900 1.00 1.27 H new ATOM 415 N ASN A 31 3.379 7.869 5.655 1.00 0.73 N ATOM 416 CA ASN A 31 2.524 8.010 4.481 1.00 0.69 C ATOM 417 C ASN A 31 1.342 7.054 4.560 1.00 0.60 C ATOM 418 O ASN A 31 0.257 7.348 4.057 1.00 0.58 O ATOM 419 CB ASN A 31 3.329 7.733 3.215 1.00 0.71 C ATOM 420 CG ASN A 31 3.836 9.037 2.614 1.00 1.24 C ATOM 421 OD1 ASN A 31 3.724 10.100 3.225 1.00 1.91 O ATOM 422 ND2 ASN A 31 4.396 8.957 1.412 1.00 1.42 N ATOM 0 H ASN A 31 4.254 7.375 5.481 1.00 0.73 H new ATOM 0 HA ASN A 31 2.144 9.031 4.451 1.00 0.69 H new ATOM 0 HB2 ASN A 31 4.171 7.080 3.447 1.00 0.71 H new ATOM 0 HB3 ASN A 31 2.708 7.207 2.489 1.00 0.71 H new ATOM 0 HD21 ASN A 31 4.754 9.798 0.959 1.00 1.42 H new ATOM 0 HD22 ASN A 31 4.468 8.055 0.942 1.00 1.42 H new ATOM 429 N ILE A 32 1.556 5.904 5.195 1.00 0.58 N ATOM 430 CA ILE A 32 0.508 4.899 5.338 1.00 0.56 C ATOM 431 C ILE A 32 -0.776 5.528 5.866 1.00 0.52 C ATOM 432 O ILE A 32 -1.874 5.045 5.589 1.00 0.51 O ATOM 433 CB ILE A 32 0.973 3.798 6.285 1.00 0.63 C ATOM 434 CG1 ILE A 32 1.479 4.396 7.594 1.00 0.70 C ATOM 435 CG2 ILE A 32 2.055 2.944 5.633 1.00 0.69 C ATOM 436 CD1 ILE A 32 1.564 3.342 8.692 1.00 1.07 C ATOM 0 H ILE A 32 2.447 5.646 5.619 1.00 0.58 H new ATOM 0 HA ILE A 32 0.304 4.471 4.357 1.00 0.56 H new ATOM 0 HB ILE A 32 0.120 3.156 6.506 1.00 0.63 H new ATOM 0 HG12 ILE A 32 2.462 4.840 7.437 1.00 0.70 H new ATOM 0 HG13 ILE A 32 0.814 5.199 7.910 1.00 0.70 H new ATOM 0 HG21 ILE A 32 2.371 2.165 6.327 1.00 0.69 H new ATOM 0 HG22 ILE A 32 1.659 2.484 4.727 1.00 0.69 H new ATOM 0 HG23 ILE A 32 2.909 3.571 5.378 1.00 0.69 H new ATOM 0 HD11 ILE A 32 1.928 3.802 9.611 1.00 1.07 H new ATOM 0 HD12 ILE A 32 0.575 2.917 8.866 1.00 1.07 H new ATOM 0 HD13 ILE A 32 2.250 2.552 8.386 1.00 1.07 H new ATOM 448 N ASN A 33 -0.633 6.607 6.628 1.00 0.56 N ATOM 449 CA ASN A 33 -1.782 7.302 7.195 1.00 0.59 C ATOM 450 C ASN A 33 -2.355 8.296 6.192 1.00 0.54 C ATOM 451 O ASN A 33 -3.560 8.544 6.168 1.00 0.55 O ATOM 452 CB ASN A 33 -1.374 8.030 8.473 1.00 0.71 C ATOM 453 CG ASN A 33 -2.480 7.930 9.516 1.00 0.97 C ATOM 454 OD1 ASN A 33 -2.921 8.937 10.068 1.00 1.51 O ATOM 455 ND2 ASN A 33 -2.927 6.709 9.788 1.00 1.62 N ATOM 0 H ASN A 33 0.269 7.019 6.867 1.00 0.56 H new ATOM 0 HA ASN A 33 -2.549 6.565 7.432 1.00 0.59 H new ATOM 0 HB2 ASN A 33 -0.454 7.599 8.867 1.00 0.71 H new ATOM 0 HB3 ASN A 33 -1.167 9.077 8.252 1.00 0.71 H new ATOM 0 HD21 ASN A 33 -3.666 6.579 10.479 1.00 1.62 H new ATOM 0 HD22 ASN A 33 -2.532 5.902 9.305 1.00 1.62 H new ATOM 462 N ARG A 34 -1.483 8.863 5.365 1.00 0.55 N ATOM 463 CA ARG A 34 -1.902 9.831 4.357 1.00 0.56 C ATOM 464 C ARG A 34 -2.935 9.216 3.422 1.00 0.48 C ATOM 465 O ARG A 34 -3.965 9.826 3.135 1.00 0.48 O ATOM 466 CB ARG A 34 -0.693 10.300 3.554 1.00 0.65 C ATOM 467 CG ARG A 34 -0.726 11.808 3.321 1.00 0.89 C ATOM 468 CD ARG A 34 0.081 12.555 4.379 1.00 1.22 C ATOM 469 NE ARG A 34 -0.201 13.984 4.316 1.00 1.69 N ATOM 470 CZ ARG A 34 -1.079 14.558 5.132 1.00 2.27 C ATOM 471 NH1 ARG A 34 -2.192 13.920 5.466 1.00 2.90 N ATOM 472 NH2 ARG A 34 -0.845 15.770 5.616 1.00 2.78 N ATOM 0 H ARG A 34 -0.482 8.669 5.373 1.00 0.55 H new ATOM 0 HA ARG A 34 -2.353 10.685 4.862 1.00 0.56 H new ATOM 0 HB2 ARG A 34 0.222 10.033 4.083 1.00 0.65 H new ATOM 0 HB3 ARG A 34 -0.670 9.783 2.595 1.00 0.65 H new ATOM 0 HG2 ARG A 34 -0.328 12.033 2.332 1.00 0.89 H new ATOM 0 HG3 ARG A 34 -1.759 12.157 3.336 1.00 0.89 H new ATOM 0 HD2 ARG A 34 -0.164 12.173 5.370 1.00 1.22 H new ATOM 0 HD3 ARG A 34 1.146 12.380 4.224 1.00 1.22 H new ATOM 0 HE ARG A 34 0.288 14.558 3.629 1.00 1.69 H new ATOM 0 HH11 ARG A 34 -2.376 12.987 5.097 1.00 2.90 H new ATOM 0 HH12 ARG A 34 -2.865 14.362 6.092 1.00 2.90 H new ATOM 0 HH21 ARG A 34 0.010 16.264 5.362 1.00 2.78 H new ATOM 0 HH22 ARG A 34 -1.521 16.208 6.242 1.00 2.78 H new ATOM 486 N ILE A 35 -2.653 8.006 2.952 1.00 0.45 N ATOM 487 CA ILE A 35 -3.558 7.306 2.049 1.00 0.40 C ATOM 488 C ILE A 35 -4.716 6.692 2.825 1.00 0.34 C ATOM 489 O ILE A 35 -5.876 6.817 2.433 1.00 0.34 O ATOM 490 CB ILE A 35 -2.802 6.218 1.293 1.00 0.41 C ATOM 491 CG1 ILE A 35 -1.653 6.820 0.489 1.00 0.54 C ATOM 492 CG2 ILE A 35 -3.740 5.436 0.381 1.00 0.40 C ATOM 493 CD1 ILE A 35 -0.395 6.979 1.336 1.00 1.29 C ATOM 0 H ILE A 35 -1.804 7.489 3.182 1.00 0.45 H new ATOM 0 HA ILE A 35 -3.960 8.024 1.334 1.00 0.40 H new ATOM 0 HB ILE A 35 -2.385 5.526 2.025 1.00 0.41 H new ATOM 0 HG12 ILE A 35 -1.436 6.183 -0.369 1.00 0.54 H new ATOM 0 HG13 ILE A 35 -1.953 7.792 0.097 1.00 0.54 H new ATOM 0 HG21 ILE A 35 -3.177 4.666 -0.147 1.00 0.40 H new ATOM 0 HG22 ILE A 35 -4.522 4.968 0.979 1.00 0.40 H new ATOM 0 HG23 ILE A 35 -4.193 6.114 -0.342 1.00 0.40 H new ATOM 0 HD11 ILE A 35 0.401 7.410 0.728 1.00 1.29 H new ATOM 0 HD12 ILE A 35 -0.605 7.637 2.179 1.00 1.29 H new ATOM 0 HD13 ILE A 35 -0.080 6.003 1.706 1.00 1.29 H new ATOM 505 N LYS A 36 -4.394 6.022 3.928 1.00 0.35 N ATOM 506 CA LYS A 36 -5.400 5.377 4.768 1.00 0.36 C ATOM 507 C LYS A 36 -6.606 6.287 4.987 1.00 0.39 C ATOM 508 O LYS A 36 -7.748 5.864 4.819 1.00 0.51 O ATOM 509 CB LYS A 36 -4.789 4.998 6.114 1.00 0.44 C ATOM 510 CG LYS A 36 -5.789 4.250 6.993 1.00 1.09 C ATOM 511 CD LYS A 36 -5.694 4.689 8.452 1.00 1.41 C ATOM 512 CE LYS A 36 -6.210 3.609 9.399 1.00 2.17 C ATOM 513 NZ LYS A 36 -5.198 2.535 9.598 1.00 2.76 N ATOM 0 H LYS A 36 -3.437 5.911 4.263 1.00 0.35 H new ATOM 0 HA LYS A 36 -5.741 4.478 4.255 1.00 0.36 H new ATOM 0 HB2 LYS A 36 -3.909 4.376 5.953 1.00 0.44 H new ATOM 0 HB3 LYS A 36 -4.453 5.898 6.629 1.00 0.44 H new ATOM 0 HG2 LYS A 36 -6.800 4.425 6.625 1.00 1.09 H new ATOM 0 HG3 LYS A 36 -5.605 3.178 6.922 1.00 1.09 H new ATOM 0 HD2 LYS A 36 -4.657 4.922 8.696 1.00 1.41 H new ATOM 0 HD3 LYS A 36 -6.269 5.604 8.595 1.00 1.41 H new ATOM 0 HE2 LYS A 36 -6.463 4.056 10.360 1.00 2.17 H new ATOM 0 HE3 LYS A 36 -7.127 3.178 8.997 1.00 2.17 H new ATOM 0 HZ1 LYS A 36 -5.674 1.661 9.900 1.00 2.76 H new ATOM 0 HZ2 LYS A 36 -4.694 2.363 8.705 1.00 2.76 H new ATOM 0 HZ3 LYS A 36 -4.518 2.829 10.328 1.00 2.76 H new ATOM 527 N ASP A 37 -6.345 7.537 5.359 1.00 0.40 N ATOM 528 CA ASP A 37 -7.412 8.500 5.596 1.00 0.45 C ATOM 529 C ASP A 37 -7.937 9.049 4.275 1.00 0.44 C ATOM 530 O ASP A 37 -9.135 8.985 3.997 1.00 0.60 O ATOM 531 CB ASP A 37 -6.900 9.639 6.464 1.00 0.51 C ATOM 532 CG ASP A 37 -7.901 9.957 7.566 1.00 0.82 C ATOM 533 OD1 ASP A 37 -9.119 9.815 7.325 1.00 1.56 O ATOM 534 OD2 ASP A 37 -7.467 10.348 8.670 1.00 1.37 O ATOM 0 H ASP A 37 -5.405 7.905 5.502 1.00 0.40 H new ATOM 0 HA ASP A 37 -8.228 7.995 6.113 1.00 0.45 H new ATOM 0 HB2 ASP A 37 -5.940 9.367 6.903 1.00 0.51 H new ATOM 0 HB3 ASP A 37 -6.731 10.524 5.851 1.00 0.51 H new ATOM 539 N GLN A 38 -7.033 9.584 3.463 1.00 0.41 N ATOM 540 CA GLN A 38 -7.399 10.141 2.167 1.00 0.46 C ATOM 541 C GLN A 38 -8.198 9.130 1.360 1.00 0.42 C ATOM 542 O GLN A 38 -9.378 9.335 1.074 1.00 0.68 O ATOM 543 CB GLN A 38 -6.141 10.528 1.396 1.00 0.54 C ATOM 544 CG GLN A 38 -6.462 11.377 0.177 1.00 0.65 C ATOM 545 CD GLN A 38 -7.304 12.583 0.569 1.00 1.05 C ATOM 546 OE1 GLN A 38 -6.864 13.439 1.337 1.00 1.65 O ATOM 547 NE2 GLN A 38 -8.520 12.654 0.040 1.00 1.66 N ATOM 0 H GLN A 38 -6.038 9.644 3.680 1.00 0.41 H new ATOM 0 HA GLN A 38 -8.013 11.026 2.331 1.00 0.46 H new ATOM 0 HB2 GLN A 38 -5.467 11.077 2.053 1.00 0.54 H new ATOM 0 HB3 GLN A 38 -5.616 9.626 1.082 1.00 0.54 H new ATOM 0 HG2 GLN A 38 -5.537 11.710 -0.294 1.00 0.65 H new ATOM 0 HG3 GLN A 38 -6.997 10.777 -0.560 1.00 0.65 H new ATOM 0 HE21 GLN A 38 -8.845 11.922 -0.592 1.00 1.66 H new ATOM 0 HE22 GLN A 38 -9.129 13.440 0.266 1.00 1.66 H new ATOM 556 N TYR A 39 -7.539 8.041 0.990 1.00 0.34 N ATOM 557 CA TYR A 39 -8.165 6.984 0.204 1.00 0.34 C ATOM 558 C TYR A 39 -9.116 6.137 1.049 1.00 0.30 C ATOM 559 O TYR A 39 -9.819 5.278 0.517 1.00 0.32 O ATOM 560 CB TYR A 39 -7.089 6.097 -0.411 1.00 0.39 C ATOM 561 CG TYR A 39 -6.366 6.761 -1.555 1.00 0.46 C ATOM 562 CD1 TYR A 39 -5.519 7.831 -1.319 1.00 0.53 C ATOM 563 CD2 TYR A 39 -6.547 6.302 -2.848 1.00 0.64 C ATOM 564 CE1 TYR A 39 -4.855 8.437 -2.371 1.00 0.62 C ATOM 565 CE2 TYR A 39 -5.883 6.908 -3.899 1.00 0.73 C ATOM 566 CZ TYR A 39 -5.039 7.985 -3.650 1.00 0.66 C ATOM 567 OH TYR A 39 -4.380 8.576 -4.703 1.00 0.77 O ATOM 0 H TYR A 39 -6.562 7.865 1.224 1.00 0.34 H new ATOM 0 HA TYR A 39 -8.752 7.455 -0.584 1.00 0.34 H new ATOM 0 HB2 TYR A 39 -6.367 5.823 0.359 1.00 0.39 H new ATOM 0 HB3 TYR A 39 -7.545 5.172 -0.764 1.00 0.39 H new ATOM 0 HD1 TYR A 39 -5.376 8.193 -0.312 1.00 0.53 H new ATOM 0 HD2 TYR A 39 -7.208 5.469 -3.037 1.00 0.64 H new ATOM 0 HE1 TYR A 39 -4.191 9.268 -2.183 1.00 0.62 H new ATOM 0 HE2 TYR A 39 -6.019 6.547 -4.908 1.00 0.73 H new ATOM 0 HH TYR A 39 -4.628 8.127 -5.538 1.00 0.77 H new ATOM 577 N LYS A 40 -9.143 6.370 2.361 1.00 0.28 N ATOM 578 CA LYS A 40 -10.015 5.606 3.247 1.00 0.31 C ATOM 579 C LYS A 40 -9.702 4.121 3.127 1.00 0.29 C ATOM 580 O LYS A 40 -10.604 3.285 3.065 1.00 0.39 O ATOM 581 CB LYS A 40 -11.477 5.857 2.883 1.00 0.38 C ATOM 582 CG LYS A 40 -11.934 7.248 3.312 1.00 0.86 C ATOM 583 CD LYS A 40 -13.454 7.374 3.270 1.00 1.29 C ATOM 584 CE LYS A 40 -14.060 7.322 4.670 1.00 1.88 C ATOM 585 NZ LYS A 40 -13.814 8.589 5.412 1.00 2.56 N ATOM 0 H LYS A 40 -8.575 7.076 2.829 1.00 0.28 H new ATOM 0 HA LYS A 40 -9.844 5.926 4.275 1.00 0.31 H new ATOM 0 HB2 LYS A 40 -11.608 5.747 1.807 1.00 0.38 H new ATOM 0 HB3 LYS A 40 -12.105 5.104 3.360 1.00 0.38 H new ATOM 0 HG2 LYS A 40 -11.578 7.454 4.322 1.00 0.86 H new ATOM 0 HG3 LYS A 40 -11.487 7.997 2.658 1.00 0.86 H new ATOM 0 HD2 LYS A 40 -13.729 8.312 2.788 1.00 1.29 H new ATOM 0 HD3 LYS A 40 -13.870 6.570 2.663 1.00 1.29 H new ATOM 0 HE2 LYS A 40 -15.133 7.142 4.598 1.00 1.88 H new ATOM 0 HE3 LYS A 40 -13.633 6.485 5.223 1.00 1.88 H new ATOM 0 HZ1 LYS A 40 -13.753 8.389 6.431 1.00 2.56 H new ATOM 0 HZ2 LYS A 40 -12.921 9.013 5.089 1.00 2.56 H new ATOM 0 HZ3 LYS A 40 -14.596 9.252 5.236 1.00 2.56 H new ATOM 599 N VAL A 41 -8.412 3.805 3.075 1.00 0.23 N ATOM 600 CA VAL A 41 -7.957 2.427 2.940 1.00 0.23 C ATOM 601 C VAL A 41 -6.911 2.100 4.005 1.00 0.27 C ATOM 602 O VAL A 41 -6.839 2.768 5.034 1.00 0.33 O ATOM 603 CB VAL A 41 -7.379 2.238 1.539 1.00 0.23 C ATOM 604 CG1 VAL A 41 -8.420 2.591 0.487 1.00 0.25 C ATOM 605 CG2 VAL A 41 -6.131 3.095 1.351 1.00 0.23 C ATOM 0 H VAL A 41 -7.659 4.491 3.125 1.00 0.23 H new ATOM 0 HA VAL A 41 -8.797 1.747 3.083 1.00 0.23 H new ATOM 0 HB VAL A 41 -7.100 1.191 1.422 1.00 0.23 H new ATOM 0 HG11 VAL A 41 -7.995 2.452 -0.507 1.00 0.25 H new ATOM 0 HG12 VAL A 41 -9.289 1.944 0.604 1.00 0.25 H new ATOM 0 HG13 VAL A 41 -8.723 3.631 0.610 1.00 0.25 H new ATOM 0 HG21 VAL A 41 -5.735 2.946 0.347 1.00 0.23 H new ATOM 0 HG22 VAL A 41 -6.387 4.146 1.488 1.00 0.23 H new ATOM 0 HG23 VAL A 41 -5.378 2.807 2.084 1.00 0.23 H new ATOM 615 N SER A 42 -6.104 1.069 3.759 1.00 0.29 N ATOM 616 CA SER A 42 -5.067 0.666 4.702 1.00 0.34 C ATOM 617 C SER A 42 -3.865 0.099 3.956 1.00 0.30 C ATOM 618 O SER A 42 -3.874 -1.058 3.536 1.00 0.36 O ATOM 619 CB SER A 42 -5.616 -0.377 5.669 1.00 0.43 C ATOM 620 OG SER A 42 -4.885 -0.353 6.887 1.00 0.93 O ATOM 0 H SER A 42 -6.150 0.499 2.914 1.00 0.29 H new ATOM 0 HA SER A 42 -4.749 1.543 5.266 1.00 0.34 H new ATOM 0 HB2 SER A 42 -6.670 -0.181 5.866 1.00 0.43 H new ATOM 0 HB3 SER A 42 -5.554 -1.368 5.219 1.00 0.43 H new ATOM 0 HG SER A 42 -5.248 -1.026 7.500 1.00 0.93 H new ATOM 626 N VAL A 43 -2.834 0.921 3.792 1.00 0.33 N ATOM 627 CA VAL A 43 -1.625 0.502 3.092 1.00 0.34 C ATOM 628 C VAL A 43 -0.525 0.146 4.085 1.00 0.35 C ATOM 629 O VAL A 43 -0.211 0.924 4.984 1.00 0.55 O ATOM 630 CB VAL A 43 -1.147 1.615 2.166 1.00 0.49 C ATOM 631 CG1 VAL A 43 0.108 1.186 1.411 1.00 0.54 C ATOM 632 CG2 VAL A 43 -2.250 2.019 1.193 1.00 1.25 C ATOM 0 H VAL A 43 -2.811 1.882 4.134 1.00 0.33 H new ATOM 0 HA VAL A 43 -1.858 -0.383 2.500 1.00 0.34 H new ATOM 0 HB VAL A 43 -0.898 2.483 2.777 1.00 0.49 H new ATOM 0 HG11 VAL A 43 0.433 1.994 0.756 1.00 0.54 H new ATOM 0 HG12 VAL A 43 0.900 0.956 2.123 1.00 0.54 H new ATOM 0 HG13 VAL A 43 -0.111 0.301 0.814 1.00 0.54 H new ATOM 0 HG21 VAL A 43 -1.887 2.814 0.542 1.00 1.25 H new ATOM 0 HG22 VAL A 43 -2.536 1.158 0.589 1.00 1.25 H new ATOM 0 HG23 VAL A 43 -3.116 2.374 1.752 1.00 1.25 H new ATOM 642 N ARG A 44 0.058 -1.037 3.913 1.00 0.31 N ATOM 643 CA ARG A 44 1.125 -1.501 4.790 1.00 0.42 C ATOM 644 C ARG A 44 2.358 -1.879 3.979 1.00 0.40 C ATOM 645 O ARG A 44 2.260 -2.584 2.974 1.00 0.41 O ATOM 646 CB ARG A 44 0.649 -2.702 5.602 1.00 0.52 C ATOM 647 CG ARG A 44 -0.282 -2.279 6.736 1.00 0.78 C ATOM 648 CD ARG A 44 -1.705 -2.780 6.510 1.00 1.05 C ATOM 649 NE ARG A 44 -1.728 -4.238 6.464 1.00 1.31 N ATOM 650 CZ ARG A 44 -1.470 -4.976 7.539 1.00 1.74 C ATOM 651 NH1 ARG A 44 -1.487 -4.425 8.746 1.00 2.27 N ATOM 652 NH2 ARG A 44 -1.192 -6.266 7.408 1.00 2.28 N ATOM 0 H ARG A 44 -0.192 -1.692 3.172 1.00 0.31 H new ATOM 0 HA ARG A 44 1.390 -0.692 5.470 1.00 0.42 H new ATOM 0 HB2 ARG A 44 0.131 -3.403 4.947 1.00 0.52 H new ATOM 0 HB3 ARG A 44 1.510 -3.228 6.014 1.00 0.52 H new ATOM 0 HG2 ARG A 44 0.095 -2.668 7.682 1.00 0.78 H new ATOM 0 HG3 ARG A 44 -0.287 -1.192 6.817 1.00 0.78 H new ATOM 0 HD2 ARG A 44 -2.354 -2.425 7.310 1.00 1.05 H new ATOM 0 HD3 ARG A 44 -2.097 -2.374 5.577 1.00 1.05 H new ATOM 0 HE ARG A 44 -1.948 -4.703 5.583 1.00 1.31 H new ATOM 0 HH11 ARG A 44 -1.698 -3.433 8.851 1.00 2.27 H new ATOM 0 HH12 ARG A 44 -1.289 -4.994 9.569 1.00 2.27 H new ATOM 0 HH21 ARG A 44 -1.176 -6.693 6.482 1.00 2.28 H new ATOM 0 HH22 ARG A 44 -0.994 -6.831 8.234 1.00 2.28 H new ATOM 666 N ILE A 45 3.518 -1.408 4.423 1.00 0.46 N ATOM 667 CA ILE A 45 4.774 -1.697 3.742 1.00 0.47 C ATOM 668 C ILE A 45 5.563 -2.755 4.523 1.00 0.53 C ATOM 669 O ILE A 45 6.186 -2.449 5.540 1.00 0.64 O ATOM 670 CB ILE A 45 5.582 -0.393 3.583 1.00 0.56 C ATOM 671 CG1 ILE A 45 5.084 0.394 2.367 1.00 0.59 C ATOM 672 CG2 ILE A 45 7.089 -0.649 3.466 1.00 0.60 C ATOM 673 CD1 ILE A 45 5.557 -0.225 1.049 1.00 0.56 C ATOM 0 H ILE A 45 3.614 -0.823 5.253 1.00 0.46 H new ATOM 0 HA ILE A 45 4.573 -2.099 2.749 1.00 0.47 H new ATOM 0 HB ILE A 45 5.424 0.195 4.487 1.00 0.56 H new ATOM 0 HG12 ILE A 45 3.995 0.430 2.380 1.00 0.59 H new ATOM 0 HG13 ILE A 45 5.438 1.423 2.432 1.00 0.59 H new ATOM 0 HG21 ILE A 45 7.612 0.301 3.356 1.00 0.60 H new ATOM 0 HG22 ILE A 45 7.443 -1.156 4.364 1.00 0.60 H new ATOM 0 HG23 ILE A 45 7.285 -1.274 2.595 1.00 0.60 H new ATOM 0 HD11 ILE A 45 5.180 0.366 0.214 1.00 0.56 H new ATOM 0 HD12 ILE A 45 6.647 -0.237 1.023 1.00 0.56 H new ATOM 0 HD13 ILE A 45 5.181 -1.245 0.971 1.00 0.56 H new ATOM 685 N PRO A 46 5.554 -4.013 4.048 1.00 0.48 N ATOM 686 CA PRO A 46 6.281 -5.103 4.704 1.00 0.58 C ATOM 687 C PRO A 46 7.780 -5.036 4.415 1.00 0.61 C ATOM 688 O PRO A 46 8.205 -5.196 3.271 1.00 0.56 O ATOM 689 CB PRO A 46 5.655 -6.360 4.105 1.00 0.57 C ATOM 690 CG PRO A 46 5.107 -5.946 2.780 1.00 0.47 C ATOM 691 CD PRO A 46 4.846 -4.464 2.840 1.00 0.41 C ATOM 0 HA PRO A 46 6.202 -5.065 5.790 1.00 0.58 H new ATOM 0 HB2 PRO A 46 6.396 -7.151 3.992 1.00 0.57 H new ATOM 0 HB3 PRO A 46 4.868 -6.751 4.750 1.00 0.57 H new ATOM 0 HG2 PRO A 46 5.814 -6.179 1.983 1.00 0.47 H new ATOM 0 HG3 PRO A 46 4.188 -6.488 2.559 1.00 0.47 H new ATOM 0 HD2 PRO A 46 5.220 -3.959 1.949 1.00 0.41 H new ATOM 0 HD3 PRO A 46 3.779 -4.251 2.903 1.00 0.41 H new ATOM 699 N PRO A 47 8.607 -4.792 5.449 1.00 0.74 N ATOM 700 CA PRO A 47 10.064 -4.700 5.283 1.00 0.81 C ATOM 701 C PRO A 47 10.701 -6.060 5.017 1.00 0.87 C ATOM 702 O PRO A 47 11.412 -6.237 4.028 1.00 1.53 O ATOM 703 CB PRO A 47 10.542 -4.111 6.608 1.00 0.98 C ATOM 704 CG PRO A 47 9.491 -4.475 7.602 1.00 1.03 C ATOM 705 CD PRO A 47 8.191 -4.585 6.848 1.00 0.85 C ATOM 0 HA PRO A 47 10.343 -4.093 4.422 1.00 0.81 H new ATOM 0 HB2 PRO A 47 11.511 -4.519 6.893 1.00 0.98 H new ATOM 0 HB3 PRO A 47 10.660 -3.030 6.538 1.00 0.98 H new ATOM 0 HG2 PRO A 47 9.734 -5.418 8.092 1.00 1.03 H new ATOM 0 HG3 PRO A 47 9.421 -3.718 8.384 1.00 1.03 H new ATOM 0 HD2 PRO A 47 7.587 -5.416 7.212 1.00 0.85 H new ATOM 0 HD3 PRO A 47 7.589 -3.683 6.956 1.00 0.85 H new ATOM 713 N ASP A 48 10.444 -7.016 5.903 1.00 1.32 N ATOM 714 CA ASP A 48 10.996 -8.357 5.758 1.00 1.46 C ATOM 715 C ASP A 48 12.511 -8.299 5.618 1.00 1.48 C ATOM 716 O ASP A 48 13.102 -7.219 5.601 1.00 2.18 O ATOM 717 CB ASP A 48 10.389 -9.038 4.535 1.00 2.16 C ATOM 718 CG ASP A 48 9.247 -9.956 4.952 1.00 2.56 C ATOM 719 OD1 ASP A 48 8.365 -9.500 5.709 1.00 3.01 O ATOM 720 OD2 ASP A 48 9.237 -11.128 4.520 1.00 3.03 O ATOM 0 H ASP A 48 9.858 -6.887 6.728 1.00 1.32 H new ATOM 0 HA ASP A 48 10.750 -8.932 6.651 1.00 1.46 H new ATOM 0 HB2 ASP A 48 10.023 -8.286 3.836 1.00 2.16 H new ATOM 0 HB3 ASP A 48 11.154 -9.613 4.013 1.00 2.16 H new ATOM 725 N SER A 49 13.137 -9.468 5.518 1.00 1.59 N ATOM 726 CA SER A 49 14.586 -9.553 5.379 1.00 2.11 C ATOM 727 C SER A 49 15.024 -9.027 4.019 1.00 1.90 C ATOM 728 O SER A 49 15.503 -7.898 3.903 1.00 2.33 O ATOM 729 CB SER A 49 15.040 -11.001 5.543 1.00 3.03 C ATOM 730 OG SER A 49 15.009 -11.381 6.910 1.00 3.81 O ATOM 0 H SER A 49 12.662 -10.371 5.531 1.00 1.59 H new ATOM 0 HA SER A 49 15.045 -8.941 6.155 1.00 2.11 H new ATOM 0 HB2 SER A 49 14.393 -11.659 4.962 1.00 3.03 H new ATOM 0 HB3 SER A 49 16.050 -11.118 5.150 1.00 3.03 H new ATOM 0 HG SER A 49 15.301 -12.312 6.997 1.00 3.81 H new ATOM 736 N GLU A 50 14.859 -9.852 2.990 1.00 1.92 N ATOM 737 CA GLU A 50 15.236 -9.474 1.633 1.00 2.27 C ATOM 738 C GLU A 50 14.911 -10.598 0.657 1.00 2.09 C ATOM 739 O GLU A 50 15.493 -11.680 0.725 1.00 2.74 O ATOM 740 CB GLU A 50 16.726 -9.149 1.576 1.00 3.06 C ATOM 741 CG GLU A 50 17.582 -10.381 1.860 1.00 3.83 C ATOM 742 CD GLU A 50 17.004 -11.601 1.158 1.00 4.43 C ATOM 743 OE1 GLU A 50 15.926 -12.075 1.576 1.00 4.75 O ATOM 744 OE2 GLU A 50 17.629 -12.083 0.189 1.00 4.97 O ATOM 0 H GLU A 50 14.465 -10.790 3.071 1.00 1.92 H new ATOM 0 HA GLU A 50 14.667 -8.589 1.348 1.00 2.27 H new ATOM 0 HB2 GLU A 50 16.975 -8.752 0.592 1.00 3.06 H new ATOM 0 HB3 GLU A 50 16.957 -8.370 2.302 1.00 3.06 H new ATOM 0 HG2 GLU A 50 18.603 -10.208 1.521 1.00 3.83 H new ATOM 0 HG3 GLU A 50 17.629 -10.560 2.934 1.00 3.83 H new ATOM 751 N LYS A 51 13.976 -10.334 -0.249 1.00 1.76 N ATOM 752 CA LYS A 51 13.567 -11.320 -1.240 1.00 1.77 C ATOM 753 C LYS A 51 12.571 -10.710 -2.216 1.00 1.55 C ATOM 754 O LYS A 51 12.767 -10.753 -3.431 1.00 2.20 O ATOM 755 CB LYS A 51 12.941 -12.527 -0.548 1.00 2.14 C ATOM 756 CG LYS A 51 12.482 -13.579 -1.555 1.00 2.60 C ATOM 757 CD LYS A 51 12.471 -14.976 -0.942 1.00 3.36 C ATOM 758 CE LYS A 51 11.252 -15.188 -0.050 1.00 4.12 C ATOM 759 NZ LYS A 51 10.229 -16.035 -0.724 1.00 4.81 N ATOM 0 H LYS A 51 13.486 -9.442 -0.317 1.00 1.76 H new ATOM 0 HA LYS A 51 14.449 -11.642 -1.794 1.00 1.77 H new ATOM 0 HB2 LYS A 51 13.664 -12.970 0.137 1.00 2.14 H new ATOM 0 HB3 LYS A 51 12.091 -12.202 0.052 1.00 2.14 H new ATOM 0 HG2 LYS A 51 11.483 -13.330 -1.912 1.00 2.60 H new ATOM 0 HG3 LYS A 51 13.143 -13.567 -2.422 1.00 2.60 H new ATOM 0 HD2 LYS A 51 12.476 -15.723 -1.736 1.00 3.36 H new ATOM 0 HD3 LYS A 51 13.380 -15.125 -0.359 1.00 3.36 H new ATOM 0 HE2 LYS A 51 11.559 -15.659 0.884 1.00 4.12 H new ATOM 0 HE3 LYS A 51 10.816 -14.223 0.208 1.00 4.12 H new ATOM 0 HZ1 LYS A 51 9.412 -16.161 -0.093 1.00 4.81 H new ATOM 0 HZ2 LYS A 51 9.919 -15.572 -1.602 1.00 4.81 H new ATOM 0 HZ3 LYS A 51 10.640 -16.964 -0.948 1.00 4.81 H new ATOM 773 N SER A 52 11.502 -10.138 -1.675 1.00 1.19 N ATOM 774 CA SER A 52 10.468 -9.512 -2.491 1.00 1.04 C ATOM 775 C SER A 52 9.742 -8.438 -1.692 1.00 0.92 C ATOM 776 O SER A 52 9.528 -8.588 -0.489 1.00 1.19 O ATOM 777 CB SER A 52 9.473 -10.563 -2.970 1.00 1.25 C ATOM 778 OG SER A 52 8.590 -10.929 -1.921 1.00 2.03 O ATOM 0 H SER A 52 11.328 -10.095 -0.671 1.00 1.19 H new ATOM 0 HA SER A 52 10.941 -9.047 -3.356 1.00 1.04 H new ATOM 0 HB2 SER A 52 8.903 -10.174 -3.814 1.00 1.25 H new ATOM 0 HB3 SER A 52 10.008 -11.443 -3.326 1.00 1.25 H new ATOM 0 HG SER A 52 7.957 -11.603 -2.246 1.00 2.03 H new ATOM 784 N ASN A 53 9.365 -7.355 -2.363 1.00 0.68 N ATOM 785 CA ASN A 53 8.664 -6.259 -1.707 1.00 0.61 C ATOM 786 C ASN A 53 7.190 -6.263 -2.092 1.00 0.59 C ATOM 787 O ASN A 53 6.752 -5.459 -2.914 1.00 0.99 O ATOM 788 CB ASN A 53 9.297 -4.925 -2.094 1.00 0.60 C ATOM 789 CG ASN A 53 10.014 -4.300 -0.902 1.00 0.89 C ATOM 790 OD1 ASN A 53 9.948 -4.808 0.218 1.00 1.68 O ATOM 791 ND2 ASN A 53 10.702 -3.190 -1.143 1.00 1.28 N ATOM 0 H ASN A 53 9.533 -7.213 -3.359 1.00 0.68 H new ATOM 0 HA ASN A 53 8.745 -6.393 -0.628 1.00 0.61 H new ATOM 0 HB2 ASN A 53 10.003 -5.076 -2.911 1.00 0.60 H new ATOM 0 HB3 ASN A 53 8.528 -4.245 -2.459 1.00 0.60 H new ATOM 0 HD21 ASN A 53 11.202 -2.725 -0.385 1.00 1.28 H new ATOM 0 HD22 ASN A 53 10.731 -2.802 -2.086 1.00 1.28 H new ATOM 798 N LEU A 54 6.428 -7.168 -1.490 1.00 0.55 N ATOM 799 CA LEU A 54 5.001 -7.272 -1.765 1.00 0.51 C ATOM 800 C LEU A 54 4.210 -6.463 -0.746 1.00 0.44 C ATOM 801 O LEU A 54 3.935 -6.934 0.356 1.00 0.57 O ATOM 802 CB LEU A 54 4.565 -8.733 -1.726 1.00 0.65 C ATOM 803 CG LEU A 54 4.557 -9.353 -3.120 1.00 0.82 C ATOM 804 CD1 LEU A 54 5.767 -10.263 -3.314 1.00 1.49 C ATOM 805 CD2 LEU A 54 3.261 -10.120 -3.364 1.00 1.49 C ATOM 0 H LEU A 54 6.775 -7.841 -0.807 1.00 0.55 H new ATOM 0 HA LEU A 54 4.805 -6.872 -2.760 1.00 0.51 H new ATOM 0 HB2 LEU A 54 5.238 -9.297 -1.080 1.00 0.65 H new ATOM 0 HB3 LEU A 54 3.569 -8.805 -1.289 1.00 0.65 H new ATOM 0 HG LEU A 54 4.617 -8.546 -3.850 1.00 0.82 H new ATOM 0 HD11 LEU A 54 5.741 -10.694 -4.315 1.00 1.49 H new ATOM 0 HD12 LEU A 54 6.682 -9.683 -3.192 1.00 1.49 H new ATOM 0 HD13 LEU A 54 5.743 -11.063 -2.574 1.00 1.49 H new ATOM 0 HD21 LEU A 54 3.277 -10.553 -4.364 1.00 1.49 H new ATOM 0 HD22 LEU A 54 3.164 -10.916 -2.625 1.00 1.49 H new ATOM 0 HD23 LEU A 54 2.414 -9.440 -3.277 1.00 1.49 H new ATOM 817 N ILE A 55 3.852 -5.239 -1.122 1.00 0.31 N ATOM 818 CA ILE A 55 3.097 -4.358 -0.237 1.00 0.26 C ATOM 819 C ILE A 55 1.692 -4.900 -0.014 1.00 0.27 C ATOM 820 O ILE A 55 1.068 -5.433 -0.930 1.00 0.34 O ATOM 821 CB ILE A 55 3.023 -2.953 -0.827 1.00 0.27 C ATOM 822 CG1 ILE A 55 4.408 -2.474 -1.265 1.00 0.31 C ATOM 823 CG2 ILE A 55 2.411 -1.982 0.177 1.00 0.31 C ATOM 824 CD1 ILE A 55 4.382 -1.030 -1.760 1.00 0.35 C ATOM 0 H ILE A 55 4.072 -4.835 -2.032 1.00 0.31 H new ATOM 0 HA ILE A 55 3.612 -4.314 0.723 1.00 0.26 H new ATOM 0 HB ILE A 55 2.382 -2.987 -1.708 1.00 0.27 H new ATOM 0 HG12 ILE A 55 5.102 -2.559 -0.429 1.00 0.31 H new ATOM 0 HG13 ILE A 55 4.782 -3.122 -2.057 1.00 0.31 H new ATOM 0 HG21 ILE A 55 2.366 -0.985 -0.262 1.00 0.31 H new ATOM 0 HG22 ILE A 55 1.404 -2.311 0.434 1.00 0.31 H new ATOM 0 HG23 ILE A 55 3.025 -1.955 1.078 1.00 0.31 H new ATOM 0 HD11 ILE A 55 5.386 -0.730 -2.061 1.00 0.35 H new ATOM 0 HD12 ILE A 55 3.708 -0.950 -2.613 1.00 0.35 H new ATOM 0 HD13 ILE A 55 4.033 -0.377 -0.960 1.00 0.35 H new ATOM 836 N ARG A 56 1.199 -4.761 1.213 1.00 0.29 N ATOM 837 CA ARG A 56 -0.133 -5.237 1.563 1.00 0.32 C ATOM 838 C ARG A 56 -1.125 -4.083 1.592 1.00 0.29 C ATOM 839 O ARG A 56 -0.999 -3.162 2.399 1.00 0.42 O ATOM 840 CB ARG A 56 -0.100 -5.928 2.922 1.00 0.42 C ATOM 841 CG ARG A 56 0.644 -7.258 2.851 1.00 0.55 C ATOM 842 CD ARG A 56 1.875 -7.262 3.753 1.00 0.84 C ATOM 843 NE ARG A 56 2.661 -8.471 3.539 1.00 1.44 N ATOM 844 CZ ARG A 56 2.812 -9.385 4.494 1.00 1.77 C ATOM 845 NH1 ARG A 56 1.788 -9.712 5.270 1.00 2.33 N ATOM 846 NH2 ARG A 56 3.987 -9.972 4.671 1.00 2.19 N ATOM 0 H ARG A 56 1.704 -4.321 1.982 1.00 0.29 H new ATOM 0 HA ARG A 56 -0.454 -5.952 0.805 1.00 0.32 H new ATOM 0 HB2 ARG A 56 0.383 -5.277 3.651 1.00 0.42 H new ATOM 0 HB3 ARG A 56 -1.119 -6.097 3.271 1.00 0.42 H new ATOM 0 HG2 ARG A 56 -0.026 -8.066 3.145 1.00 0.55 H new ATOM 0 HG3 ARG A 56 0.946 -7.452 1.822 1.00 0.55 H new ATOM 0 HD2 ARG A 56 2.486 -6.383 3.548 1.00 0.84 H new ATOM 0 HD3 ARG A 56 1.568 -7.201 4.797 1.00 0.84 H new ATOM 0 HE ARG A 56 3.107 -8.620 2.634 1.00 1.44 H new ATOM 0 HH11 ARG A 56 0.882 -9.263 5.135 1.00 2.33 H new ATOM 0 HH12 ARG A 56 1.906 -10.413 6.002 1.00 2.33 H new ATOM 0 HH21 ARG A 56 4.776 -9.723 4.075 1.00 2.19 H new ATOM 0 HH22 ARG A 56 4.102 -10.673 5.403 1.00 2.19 H new ATOM 860 N ILE A 57 -2.113 -4.140 0.706 1.00 0.24 N ATOM 861 CA ILE A 57 -3.135 -3.103 0.627 1.00 0.24 C ATOM 862 C ILE A 57 -4.510 -3.691 0.916 1.00 0.26 C ATOM 863 O ILE A 57 -4.790 -4.836 0.560 1.00 0.40 O ATOM 864 CB ILE A 57 -3.127 -2.469 -0.761 1.00 0.26 C ATOM 865 CG1 ILE A 57 -1.697 -2.154 -1.201 1.00 0.28 C ATOM 866 CG2 ILE A 57 -3.986 -1.210 -0.787 1.00 0.35 C ATOM 867 CD1 ILE A 57 -1.021 -1.168 -0.251 1.00 1.32 C ATOM 0 H ILE A 57 -2.228 -4.896 0.031 1.00 0.24 H new ATOM 0 HA ILE A 57 -2.915 -2.339 1.373 1.00 0.24 H new ATOM 0 HB ILE A 57 -3.553 -3.185 -1.464 1.00 0.26 H new ATOM 0 HG12 ILE A 57 -1.117 -3.076 -1.243 1.00 0.28 H new ATOM 0 HG13 ILE A 57 -1.709 -1.739 -2.209 1.00 0.28 H new ATOM 0 HG21 ILE A 57 -3.965 -0.776 -1.787 1.00 0.35 H new ATOM 0 HG22 ILE A 57 -5.013 -1.464 -0.524 1.00 0.35 H new ATOM 0 HG23 ILE A 57 -3.596 -0.488 -0.070 1.00 0.35 H new ATOM 0 HD11 ILE A 57 -0.006 -0.968 -0.596 1.00 1.32 H new ATOM 0 HD12 ILE A 57 -1.587 -0.237 -0.230 1.00 1.32 H new ATOM 0 HD13 ILE A 57 -0.986 -1.594 0.752 1.00 1.32 H new ATOM 879 N GLU A 58 -5.366 -2.909 1.565 1.00 0.23 N ATOM 880 CA GLU A 58 -6.711 -3.367 1.897 1.00 0.25 C ATOM 881 C GLU A 58 -7.552 -2.224 2.449 1.00 0.24 C ATOM 882 O GLU A 58 -7.091 -1.438 3.278 1.00 0.26 O ATOM 883 CB GLU A 58 -6.637 -4.499 2.920 1.00 0.32 C ATOM 884 CG GLU A 58 -8.026 -4.997 3.311 1.00 0.37 C ATOM 885 CD GLU A 58 -7.953 -5.833 4.582 1.00 0.82 C ATOM 886 OE1 GLU A 58 -7.037 -6.676 4.689 1.00 1.47 O ATOM 887 OE2 GLU A 58 -8.812 -5.645 5.468 1.00 1.56 O ATOM 0 H GLU A 58 -5.154 -1.959 1.871 1.00 0.23 H new ATOM 0 HA GLU A 58 -7.184 -3.733 0.986 1.00 0.25 H new ATOM 0 HB2 GLU A 58 -6.057 -5.325 2.508 1.00 0.32 H new ATOM 0 HB3 GLU A 58 -6.111 -4.152 3.809 1.00 0.32 H new ATOM 0 HG2 GLU A 58 -8.693 -4.149 3.464 1.00 0.37 H new ATOM 0 HG3 GLU A 58 -8.447 -5.592 2.501 1.00 0.37 H new ATOM 894 N GLY A 59 -8.791 -2.144 1.980 1.00 0.25 N ATOM 895 CA GLY A 59 -9.721 -1.109 2.411 1.00 0.27 C ATOM 896 C GLY A 59 -11.152 -1.604 2.270 1.00 0.39 C ATOM 897 O GLY A 59 -11.613 -2.426 3.061 1.00 0.59 O ATOM 0 H GLY A 59 -9.178 -2.792 1.293 1.00 0.25 H new ATOM 0 HA2 GLY A 59 -9.522 -0.838 3.448 1.00 0.27 H new ATOM 0 HA3 GLY A 59 -9.578 -0.209 1.813 1.00 0.27 H new ATOM 901 N ASP A 60 -11.850 -1.116 1.250 1.00 0.53 N ATOM 902 CA ASP A 60 -13.223 -1.533 1.006 1.00 0.70 C ATOM 903 C ASP A 60 -13.775 -0.891 -0.263 1.00 0.59 C ATOM 904 O ASP A 60 -14.037 -1.581 -1.248 1.00 1.04 O ATOM 905 CB ASP A 60 -14.096 -1.185 2.204 1.00 1.22 C ATOM 906 CG ASP A 60 -14.429 -2.439 3.001 1.00 1.93 C ATOM 907 OD1 ASP A 60 -14.960 -3.400 2.405 1.00 2.66 O ATOM 908 OD2 ASP A 60 -14.159 -2.458 4.221 1.00 2.31 O ATOM 0 H ASP A 60 -11.488 -0.435 0.583 1.00 0.53 H new ATOM 0 HA ASP A 60 -13.232 -2.614 0.864 1.00 0.70 H new ATOM 0 HB2 ASP A 60 -13.580 -0.468 2.842 1.00 1.22 H new ATOM 0 HB3 ASP A 60 -15.015 -0.707 1.865 1.00 1.22 H new ATOM 913 N PRO A 61 -13.960 0.440 -0.265 1.00 0.72 N ATOM 914 CA PRO A 61 -14.483 1.149 -1.439 1.00 1.14 C ATOM 915 C PRO A 61 -13.453 1.222 -2.557 1.00 0.88 C ATOM 916 O PRO A 61 -12.390 0.607 -2.474 1.00 1.22 O ATOM 917 CB PRO A 61 -14.816 2.538 -0.901 1.00 1.82 C ATOM 918 CG PRO A 61 -13.928 2.721 0.284 1.00 1.82 C ATOM 919 CD PRO A 61 -13.673 1.352 0.857 1.00 1.17 C ATOM 0 HA PRO A 61 -15.344 0.647 -1.880 1.00 1.14 H new ATOM 0 HB2 PRO A 61 -14.633 3.306 -1.653 1.00 1.82 H new ATOM 0 HB3 PRO A 61 -15.867 2.610 -0.621 1.00 1.82 H new ATOM 0 HG2 PRO A 61 -12.992 3.199 -0.005 1.00 1.82 H new ATOM 0 HG3 PRO A 61 -14.400 3.367 1.024 1.00 1.82 H new ATOM 0 HD2 PRO A 61 -12.645 1.249 1.203 1.00 1.17 H new ATOM 0 HD3 PRO A 61 -14.319 1.150 1.712 1.00 1.17 H new ATOM 927 N GLN A 62 -13.766 1.986 -3.597 1.00 0.64 N ATOM 928 CA GLN A 62 -12.859 2.146 -4.726 1.00 0.47 C ATOM 929 C GLN A 62 -11.509 2.680 -4.256 1.00 0.41 C ATOM 930 O GLN A 62 -10.506 2.554 -4.954 1.00 0.47 O ATOM 931 CB GLN A 62 -13.464 3.101 -5.749 1.00 0.69 C ATOM 932 CG GLN A 62 -14.815 2.601 -6.252 1.00 0.85 C ATOM 933 CD GLN A 62 -15.220 3.352 -7.514 1.00 1.34 C ATOM 934 OE1 GLN A 62 -14.459 3.418 -8.481 1.00 2.14 O ATOM 935 NE2 GLN A 62 -16.419 3.920 -7.508 1.00 1.73 N ATOM 0 H GLN A 62 -14.641 2.504 -3.681 1.00 0.64 H new ATOM 0 HA GLN A 62 -12.708 1.171 -5.189 1.00 0.47 H new ATOM 0 HB2 GLN A 62 -13.584 4.087 -5.301 1.00 0.69 H new ATOM 0 HB3 GLN A 62 -12.781 3.214 -6.591 1.00 0.69 H new ATOM 0 HG2 GLN A 62 -14.761 1.532 -6.458 1.00 0.85 H new ATOM 0 HG3 GLN A 62 -15.572 2.739 -5.480 1.00 0.85 H new ATOM 0 HE21 GLN A 62 -17.017 3.840 -6.685 1.00 1.73 H new ATOM 0 HE22 GLN A 62 -16.743 4.436 -8.326 1.00 1.73 H new ATOM 944 N GLY A 63 -11.489 3.286 -3.070 1.00 0.37 N ATOM 945 CA GLY A 63 -10.266 3.847 -2.514 1.00 0.34 C ATOM 946 C GLY A 63 -9.149 2.812 -2.433 1.00 0.27 C ATOM 947 O GLY A 63 -7.986 3.131 -2.681 1.00 0.29 O ATOM 0 H GLY A 63 -12.311 3.400 -2.476 1.00 0.37 H new ATOM 0 HA2 GLY A 63 -9.939 4.686 -3.129 1.00 0.34 H new ATOM 0 HA3 GLY A 63 -10.468 4.241 -1.518 1.00 0.34 H new ATOM 951 N VAL A 64 -9.494 1.576 -2.074 1.00 0.24 N ATOM 952 CA VAL A 64 -8.490 0.521 -1.953 1.00 0.21 C ATOM 953 C VAL A 64 -7.939 0.122 -3.321 1.00 0.24 C ATOM 954 O VAL A 64 -6.724 0.039 -3.506 1.00 0.28 O ATOM 955 CB VAL A 64 -9.061 -0.698 -1.212 1.00 0.24 C ATOM 956 CG1 VAL A 64 -9.900 -1.593 -2.123 1.00 0.30 C ATOM 957 CG2 VAL A 64 -7.923 -1.499 -0.585 1.00 0.26 C ATOM 0 H VAL A 64 -10.448 1.283 -1.864 1.00 0.24 H new ATOM 0 HA VAL A 64 -7.662 0.916 -1.364 1.00 0.21 H new ATOM 0 HB VAL A 64 -9.725 -0.327 -0.431 1.00 0.24 H new ATOM 0 HG11 VAL A 64 -10.280 -2.440 -1.551 1.00 0.30 H new ATOM 0 HG12 VAL A 64 -10.737 -1.021 -2.524 1.00 0.30 H new ATOM 0 HG13 VAL A 64 -9.282 -1.957 -2.944 1.00 0.30 H new ATOM 0 HG21 VAL A 64 -8.332 -2.363 -0.060 1.00 0.26 H new ATOM 0 HG22 VAL A 64 -7.243 -1.838 -1.366 1.00 0.26 H new ATOM 0 HG23 VAL A 64 -7.381 -0.869 0.120 1.00 0.26 H new ATOM 967 N GLN A 65 -8.829 -0.125 -4.277 1.00 0.25 N ATOM 968 CA GLN A 65 -8.407 -0.514 -5.619 1.00 0.30 C ATOM 969 C GLN A 65 -7.738 0.659 -6.325 1.00 0.30 C ATOM 970 O GLN A 65 -6.904 0.468 -7.212 1.00 0.34 O ATOM 971 CB GLN A 65 -9.604 -1.013 -6.430 1.00 0.37 C ATOM 972 CG GLN A 65 -10.581 0.109 -6.753 1.00 0.42 C ATOM 973 CD GLN A 65 -10.908 0.116 -8.241 1.00 0.78 C ATOM 974 OE1 GLN A 65 -10.113 -0.339 -9.064 1.00 1.56 O ATOM 975 NE2 GLN A 65 -12.081 0.633 -8.586 1.00 0.82 N ATOM 0 H GLN A 65 -9.839 -0.064 -4.150 1.00 0.25 H new ATOM 0 HA GLN A 65 -7.684 -1.325 -5.534 1.00 0.30 H new ATOM 0 HB2 GLN A 65 -9.251 -1.465 -7.357 1.00 0.37 H new ATOM 0 HB3 GLN A 65 -10.120 -1.794 -5.872 1.00 0.37 H new ATOM 0 HG2 GLN A 65 -11.496 -0.018 -6.174 1.00 0.42 H new ATOM 0 HG3 GLN A 65 -10.152 1.068 -6.464 1.00 0.42 H new ATOM 0 HE21 GLN A 65 -12.708 0.998 -7.869 1.00 0.82 H new ATOM 0 HE22 GLN A 65 -12.355 0.665 -9.568 1.00 0.82 H new ATOM 984 N GLN A 66 -8.098 1.875 -5.918 1.00 0.29 N ATOM 985 CA GLN A 66 -7.525 3.080 -6.503 1.00 0.31 C ATOM 986 C GLN A 66 -6.120 3.302 -5.963 1.00 0.29 C ATOM 987 O GLN A 66 -5.148 3.316 -6.718 1.00 0.36 O ATOM 988 CB GLN A 66 -8.401 4.289 -6.187 1.00 0.35 C ATOM 989 CG GLN A 66 -8.190 5.415 -7.195 1.00 0.79 C ATOM 990 CD GLN A 66 -9.363 5.486 -8.163 1.00 1.10 C ATOM 991 OE1 GLN A 66 -9.180 5.468 -9.381 1.00 2.03 O ATOM 992 NE2 GLN A 66 -10.574 5.566 -7.623 1.00 1.31 N ATOM 0 H GLN A 66 -8.785 2.049 -5.184 1.00 0.29 H new ATOM 0 HA GLN A 66 -7.476 2.955 -7.585 1.00 0.31 H new ATOM 0 HB2 GLN A 66 -9.449 3.990 -6.189 1.00 0.35 H new ATOM 0 HB3 GLN A 66 -8.175 4.651 -5.184 1.00 0.35 H new ATOM 0 HG2 GLN A 66 -8.084 6.365 -6.672 1.00 0.79 H new ATOM 0 HG3 GLN A 66 -7.264 5.250 -7.746 1.00 0.79 H new ATOM 0 HE21 GLN A 66 -10.680 5.578 -6.609 1.00 1.31 H new ATOM 0 HE22 GLN A 66 -11.398 5.615 -8.223 1.00 1.31 H new ATOM 1001 N ALA A 67 -6.017 3.465 -4.646 1.00 0.26 N ATOM 1002 CA ALA A 67 -4.727 3.674 -4.005 1.00 0.27 C ATOM 1003 C ALA A 67 -3.782 2.534 -4.362 1.00 0.26 C ATOM 1004 O ALA A 67 -2.569 2.722 -4.450 1.00 0.30 O ATOM 1005 CB ALA A 67 -4.900 3.755 -2.490 1.00 0.29 C ATOM 0 H ALA A 67 -6.811 3.456 -4.006 1.00 0.26 H new ATOM 0 HA ALA A 67 -4.303 4.613 -4.360 1.00 0.27 H new ATOM 0 HB1 ALA A 67 -3.929 3.911 -2.021 1.00 0.29 H new ATOM 0 HB2 ALA A 67 -5.560 4.586 -2.243 1.00 0.29 H new ATOM 0 HB3 ALA A 67 -5.335 2.825 -2.123 1.00 0.29 H new ATOM 1011 N LYS A 68 -4.354 1.352 -4.577 1.00 0.25 N ATOM 1012 CA LYS A 68 -3.571 0.177 -4.937 1.00 0.28 C ATOM 1013 C LYS A 68 -2.903 0.389 -6.290 1.00 0.31 C ATOM 1014 O LYS A 68 -1.704 0.658 -6.364 1.00 0.44 O ATOM 1015 CB LYS A 68 -4.475 -1.054 -4.986 1.00 0.32 C ATOM 1016 CG LYS A 68 -3.721 -2.297 -5.450 1.00 0.37 C ATOM 1017 CD LYS A 68 -4.563 -3.143 -6.400 1.00 0.43 C ATOM 1018 CE LYS A 68 -3.691 -4.000 -7.313 1.00 0.57 C ATOM 1019 NZ LYS A 68 -4.388 -4.314 -8.592 1.00 0.88 N ATOM 0 H LYS A 68 -5.358 1.184 -4.508 1.00 0.25 H new ATOM 0 HA LYS A 68 -2.798 0.020 -4.184 1.00 0.28 H new ATOM 0 HB2 LYS A 68 -4.897 -1.234 -3.997 1.00 0.32 H new ATOM 0 HB3 LYS A 68 -5.311 -0.864 -5.660 1.00 0.32 H new ATOM 0 HG2 LYS A 68 -2.799 -1.999 -5.948 1.00 0.37 H new ATOM 0 HG3 LYS A 68 -3.437 -2.895 -4.584 1.00 0.37 H new ATOM 0 HD2 LYS A 68 -5.228 -3.786 -5.823 1.00 0.43 H new ATOM 0 HD3 LYS A 68 -5.194 -2.492 -7.005 1.00 0.43 H new ATOM 0 HE2 LYS A 68 -2.758 -3.477 -7.524 1.00 0.57 H new ATOM 0 HE3 LYS A 68 -3.428 -4.927 -6.803 1.00 0.57 H new ATOM 0 HZ1 LYS A 68 -3.769 -4.898 -9.190 1.00 0.88 H new ATOM 0 HZ2 LYS A 68 -5.266 -4.834 -8.390 1.00 0.88 H new ATOM 0 HZ3 LYS A 68 -4.616 -3.430 -9.089 1.00 0.88 H new ATOM 1033 N ARG A 69 -3.687 0.272 -7.358 1.00 0.36 N ATOM 1034 CA ARG A 69 -3.172 0.455 -8.711 1.00 0.43 C ATOM 1035 C ARG A 69 -2.385 1.755 -8.808 1.00 0.42 C ATOM 1036 O ARG A 69 -1.342 1.814 -9.461 1.00 0.46 O ATOM 1037 CB ARG A 69 -4.325 0.474 -9.709 1.00 0.50 C ATOM 1038 CG ARG A 69 -3.820 0.410 -11.146 1.00 1.02 C ATOM 1039 CD ARG A 69 -4.935 0.697 -12.147 1.00 1.36 C ATOM 1040 NE ARG A 69 -4.642 1.910 -12.899 1.00 1.81 N ATOM 1041 CZ ARG A 69 -4.674 1.934 -14.228 1.00 2.35 C ATOM 1042 NH1 ARG A 69 -3.976 1.048 -14.926 1.00 2.98 N ATOM 1043 NH2 ARG A 69 -5.402 2.844 -14.860 1.00 2.76 N ATOM 0 H ARG A 69 -4.682 0.051 -7.312 1.00 0.36 H new ATOM 0 HA ARG A 69 -2.507 -0.376 -8.946 1.00 0.43 H new ATOM 0 HB2 ARG A 69 -4.988 -0.370 -9.517 1.00 0.50 H new ATOM 0 HB3 ARG A 69 -4.914 1.380 -9.569 1.00 0.50 H new ATOM 0 HG2 ARG A 69 -3.014 1.131 -11.281 1.00 1.02 H new ATOM 0 HG3 ARG A 69 -3.400 -0.577 -11.341 1.00 1.02 H new ATOM 0 HD2 ARG A 69 -5.044 -0.145 -12.831 1.00 1.36 H new ATOM 0 HD3 ARG A 69 -5.884 0.807 -11.622 1.00 1.36 H new ATOM 0 HE ARG A 69 -4.406 2.763 -12.393 1.00 1.81 H new ATOM 0 HH11 ARG A 69 -3.414 0.347 -14.443 1.00 2.98 H new ATOM 0 HH12 ARG A 69 -4.002 1.068 -15.945 1.00 2.98 H new ATOM 0 HH21 ARG A 69 -5.939 3.528 -14.327 1.00 2.76 H new ATOM 0 HH22 ARG A 69 -5.425 2.860 -15.880 1.00 2.76 H new ATOM 1057 N GLU A 70 -2.888 2.792 -8.149 1.00 0.40 N ATOM 1058 CA GLU A 70 -2.232 4.093 -8.152 1.00 0.43 C ATOM 1059 C GLU A 70 -0.793 3.959 -7.674 1.00 0.44 C ATOM 1060 O GLU A 70 0.127 4.509 -8.279 1.00 0.56 O ATOM 1061 CB GLU A 70 -2.992 5.061 -7.251 1.00 0.44 C ATOM 1062 CG GLU A 70 -2.420 6.473 -7.331 1.00 0.59 C ATOM 1063 CD GLU A 70 -2.911 7.172 -8.592 1.00 0.82 C ATOM 1064 OE1 GLU A 70 -2.881 6.544 -9.671 1.00 1.50 O ATOM 1065 OE2 GLU A 70 -3.326 8.346 -8.498 1.00 1.38 O ATOM 0 H GLU A 70 -3.750 2.757 -7.605 1.00 0.40 H new ATOM 0 HA GLU A 70 -2.228 4.482 -9.170 1.00 0.43 H new ATOM 0 HB2 GLU A 70 -4.043 5.077 -7.539 1.00 0.44 H new ATOM 0 HB3 GLU A 70 -2.949 4.709 -6.220 1.00 0.44 H new ATOM 0 HG2 GLU A 70 -2.718 7.044 -6.451 1.00 0.59 H new ATOM 0 HG3 GLU A 70 -1.331 6.432 -7.331 1.00 0.59 H new ATOM 1072 N LEU A 71 -0.606 3.219 -6.586 1.00 0.40 N ATOM 1073 CA LEU A 71 0.721 3.004 -6.023 1.00 0.47 C ATOM 1074 C LEU A 71 1.633 2.352 -7.053 1.00 0.52 C ATOM 1075 O LEU A 71 2.774 2.771 -7.245 1.00 0.60 O ATOM 1076 CB LEU A 71 0.623 2.117 -4.786 1.00 0.51 C ATOM 1077 CG LEU A 71 0.399 2.942 -3.522 1.00 0.78 C ATOM 1078 CD1 LEU A 71 -0.434 2.162 -2.509 1.00 1.08 C ATOM 1079 CD2 LEU A 71 1.733 3.364 -2.912 1.00 1.15 C ATOM 0 H LEU A 71 -1.359 2.757 -6.076 1.00 0.40 H new ATOM 0 HA LEU A 71 1.142 3.969 -5.741 1.00 0.47 H new ATOM 0 HB2 LEU A 71 -0.196 1.409 -4.909 1.00 0.51 H new ATOM 0 HB3 LEU A 71 1.537 1.532 -4.683 1.00 0.51 H new ATOM 0 HG LEU A 71 -0.152 3.842 -3.795 1.00 0.78 H new ATOM 0 HD11 LEU A 71 -0.582 2.768 -1.615 1.00 1.08 H new ATOM 0 HD12 LEU A 71 -1.402 1.917 -2.946 1.00 1.08 H new ATOM 0 HD13 LEU A 71 0.086 1.242 -2.241 1.00 1.08 H new ATOM 0 HD21 LEU A 71 1.552 3.951 -2.012 1.00 1.15 H new ATOM 0 HD22 LEU A 71 2.313 2.477 -2.656 1.00 1.15 H new ATOM 0 HD23 LEU A 71 2.288 3.965 -3.632 1.00 1.15 H new ATOM 1091 N LEU A 72 1.120 1.322 -7.715 1.00 0.52 N ATOM 1092 CA LEU A 72 1.883 0.605 -8.729 1.00 0.63 C ATOM 1093 C LEU A 72 2.325 1.550 -9.844 1.00 0.67 C ATOM 1094 O LEU A 72 3.266 1.254 -10.580 1.00 0.83 O ATOM 1095 CB LEU A 72 1.041 -0.524 -9.313 1.00 0.66 C ATOM 1096 CG LEU A 72 0.801 -1.632 -8.291 1.00 0.88 C ATOM 1097 CD1 LEU A 72 -0.673 -2.023 -8.253 1.00 1.99 C ATOM 1098 CD2 LEU A 72 1.674 -2.847 -8.596 1.00 1.04 C ATOM 0 H LEU A 72 0.176 0.964 -7.567 1.00 0.52 H new ATOM 0 HA LEU A 72 2.772 0.186 -8.257 1.00 0.63 H new ATOM 0 HB2 LEU A 72 0.084 -0.127 -9.652 1.00 0.66 H new ATOM 0 HB3 LEU A 72 1.542 -0.938 -10.188 1.00 0.66 H new ATOM 0 HG LEU A 72 1.077 -1.252 -7.307 1.00 0.88 H new ATOM 0 HD11 LEU A 72 -0.821 -2.814 -7.518 1.00 1.99 H new ATOM 0 HD12 LEU A 72 -1.273 -1.155 -7.978 1.00 1.99 H new ATOM 0 HD13 LEU A 72 -0.980 -2.379 -9.236 1.00 1.99 H new ATOM 0 HD21 LEU A 72 1.487 -3.625 -7.855 1.00 1.04 H new ATOM 0 HD22 LEU A 72 1.435 -3.227 -9.589 1.00 1.04 H new ATOM 0 HD23 LEU A 72 2.724 -2.558 -8.561 1.00 1.04 H new ATOM 1110 N GLU A 73 1.641 2.686 -9.969 1.00 0.64 N ATOM 1111 CA GLU A 73 1.967 3.665 -10.999 1.00 0.74 C ATOM 1112 C GLU A 73 2.869 4.758 -10.440 1.00 0.71 C ATOM 1113 O GLU A 73 4.076 4.766 -10.685 1.00 0.88 O ATOM 1114 CB GLU A 73 0.686 4.284 -11.551 1.00 0.82 C ATOM 1115 CG GLU A 73 0.247 3.608 -12.846 1.00 1.00 C ATOM 1116 CD GLU A 73 -0.629 4.548 -13.664 1.00 1.41 C ATOM 1117 OE1 GLU A 73 -1.848 4.606 -13.400 1.00 2.01 O ATOM 1118 OE2 GLU A 73 -0.095 5.226 -14.566 1.00 2.05 O ATOM 0 H GLU A 73 0.859 2.949 -9.370 1.00 0.64 H new ATOM 0 HA GLU A 73 2.499 3.155 -11.802 1.00 0.74 H new ATOM 0 HB2 GLU A 73 -0.108 4.200 -10.809 1.00 0.82 H new ATOM 0 HB3 GLU A 73 0.843 5.348 -11.731 1.00 0.82 H new ATOM 0 HG2 GLU A 73 1.122 3.318 -13.427 1.00 1.00 H new ATOM 0 HG3 GLU A 73 -0.302 2.694 -12.619 1.00 1.00 H new ATOM 1125 N LEU A 74 2.277 5.682 -9.690 1.00 0.64 N ATOM 1126 CA LEU A 74 3.026 6.786 -9.097 1.00 0.71 C ATOM 1127 C LEU A 74 3.751 6.329 -7.839 1.00 0.82 C ATOM 1128 O LEU A 74 4.854 6.792 -7.545 1.00 1.13 O ATOM 1129 CB LEU A 74 2.079 7.935 -8.765 1.00 0.85 C ATOM 1130 CG LEU A 74 1.138 8.237 -9.927 1.00 0.99 C ATOM 1131 CD1 LEU A 74 0.090 9.269 -9.521 1.00 1.19 C ATOM 1132 CD2 LEU A 74 1.923 8.714 -11.145 1.00 1.32 C ATOM 0 H LEU A 74 1.279 5.689 -9.478 1.00 0.64 H new ATOM 0 HA LEU A 74 3.769 7.129 -9.818 1.00 0.71 H new ATOM 0 HB2 LEU A 74 1.496 7.683 -7.879 1.00 0.85 H new ATOM 0 HB3 LEU A 74 2.658 8.826 -8.523 1.00 0.85 H new ATOM 0 HG LEU A 74 0.620 7.316 -10.194 1.00 0.99 H new ATOM 0 HD11 LEU A 74 -0.570 9.469 -10.365 1.00 1.19 H new ATOM 0 HD12 LEU A 74 -0.495 8.884 -8.686 1.00 1.19 H new ATOM 0 HD13 LEU A 74 0.586 10.192 -9.221 1.00 1.19 H new ATOM 0 HD21 LEU A 74 1.234 8.924 -11.963 1.00 1.32 H new ATOM 0 HD22 LEU A 74 2.472 9.621 -10.892 1.00 1.32 H new ATOM 0 HD23 LEU A 74 2.625 7.939 -11.452 1.00 1.32 H new ATOM 1144 N ALA A 75 3.130 5.416 -7.102 1.00 0.78 N ATOM 1145 CA ALA A 75 3.720 4.893 -5.874 1.00 0.99 C ATOM 1146 C ALA A 75 3.961 6.015 -4.875 1.00 1.70 C ATOM 1147 O ALA A 75 5.076 6.194 -4.385 1.00 2.16 O ATOM 1148 CB ALA A 75 5.037 4.191 -6.191 1.00 1.14 C ATOM 0 H ALA A 75 2.218 5.022 -7.333 1.00 0.78 H new ATOM 0 HA ALA A 75 3.026 4.178 -5.432 1.00 0.99 H new ATOM 0 HB1 ALA A 75 5.473 3.803 -5.271 1.00 1.14 H new ATOM 0 HB2 ALA A 75 4.853 3.368 -6.881 1.00 1.14 H new ATOM 0 HB3 ALA A 75 5.727 4.901 -6.648 1.00 1.14 H new ATOM 1154 N SER A 76 2.910 6.771 -4.576 1.00 2.17 N ATOM 1155 CA SER A 76 3.008 7.878 -3.633 1.00 3.01 C ATOM 1156 C SER A 76 3.997 8.922 -4.137 1.00 3.57 C ATOM 1157 O SER A 76 5.218 8.702 -3.993 1.00 4.23 O ATOM 1158 CB SER A 76 3.451 7.362 -2.269 1.00 3.63 C ATOM 1159 OG SER A 76 2.830 8.107 -1.231 1.00 4.36 O ATOM 1160 OXT SER A 76 3.549 9.956 -4.674 1.00 3.89 O ATOM 0 H SER A 76 1.980 6.637 -4.974 1.00 2.17 H new ATOM 0 HA SER A 76 2.026 8.343 -3.540 1.00 3.01 H new ATOM 0 HB2 SER A 76 3.194 6.307 -2.172 1.00 3.63 H new ATOM 0 HB3 SER A 76 4.535 7.436 -2.180 1.00 3.63 H new ATOM 0 HG SER A 76 2.993 7.668 -0.370 1.00 4.36 H new TER 1166 SER A 76