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 Single : A 7 ASN : amide:sc= -0.305 K(o=-0.3,f=-1.8!) USER MOD Single : A 9 MET CE :methyl -169:sc= -0.0993 (180deg=-0.351) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 18 HIS : no HE2:sc= 0.131 K(o=0.13,f=-1.3) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 HIS : no HE2:sc= -7.04! C(o=-7!,f=-8.7!) USER MOD Single : A 23 HIS : no HD1:sc= -0.179 X(o=-0.18,f=-0.42) 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 31 ASN : amide:sc= 0 X(o=0,f=-0.075) USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 GLN : amide:sc= -0.0139 X(o=-0.014,f=-0.48) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot -128:sc= -0.593 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot -20:sc= 1.76 USER MOD Single : A 53 ASN : amide:sc= -0.382 K(o=-0.38,f=-5.7!) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 GLN : amide:sc= -1.1 X(o=-1.1,f=-0.8) USER MOD Single : A 66 GLN : amide:sc= -0.0149 X(o=-0.015,f=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 6 -24.075 -2.734 -0.310 1.00 6.51 N ATOM 2 CA ILE A 6 -23.222 -3.904 -0.134 1.00 5.95 C ATOM 3 C ILE A 6 -21.772 -3.483 0.069 1.00 5.14 C ATOM 4 O ILE A 6 -21.185 -2.816 -0.782 1.00 5.46 O ATOM 5 CB ILE A 6 -23.330 -4.817 -1.350 1.00 6.67 C ATOM 6 CG1 ILE A 6 -22.543 -6.106 -1.125 1.00 7.44 C ATOM 7 CG2 ILE A 6 -22.844 -4.104 -2.608 1.00 6.84 C ATOM 8 CD1 ILE A 6 -23.468 -7.312 -0.990 1.00 8.10 C ATOM 0 HA ILE A 6 -23.556 -4.445 0.751 1.00 5.95 H new ATOM 0 HB ILE A 6 -24.380 -5.075 -1.490 1.00 6.67 H new ATOM 0 HG12 ILE A 6 -21.857 -6.264 -1.957 1.00 7.44 H new ATOM 0 HG13 ILE A 6 -21.936 -6.010 -0.225 1.00 7.44 H new ATOM 0 HG21 ILE A 6 -22.930 -4.775 -3.463 1.00 6.84 H new ATOM 0 HG22 ILE A 6 -23.452 -3.216 -2.781 1.00 6.84 H new ATOM 0 HG23 ILE A 6 -21.802 -3.811 -2.481 1.00 6.84 H new ATOM 0 HD11 ILE A 6 -22.873 -8.211 -0.831 1.00 8.10 H new ATOM 0 HD12 ILE A 6 -24.136 -7.165 -0.142 1.00 8.10 H new ATOM 0 HD13 ILE A 6 -24.057 -7.423 -1.901 1.00 8.10 H new ATOM 20 N ASN A 7 -21.200 -3.876 1.203 1.00 4.48 N ATOM 21 CA ASN A 7 -19.817 -3.541 1.518 1.00 4.06 C ATOM 22 C ASN A 7 -19.124 -4.715 2.199 1.00 3.11 C ATOM 23 O ASN A 7 -19.425 -5.045 3.346 1.00 3.46 O ATOM 24 CB ASN A 7 -19.772 -2.315 2.426 1.00 4.82 C ATOM 25 CG ASN A 7 -18.596 -1.423 2.049 1.00 5.60 C ATOM 26 OD1 ASN A 7 -18.231 -1.323 0.877 1.00 5.87 O ATOM 27 ND2 ASN A 7 -18.001 -0.774 3.042 1.00 6.34 N ATOM 0 H ASN A 7 -21.674 -4.427 1.919 1.00 4.48 H new ATOM 0 HA ASN A 7 -19.294 -3.319 0.588 1.00 4.06 H new ATOM 0 HB2 ASN A 7 -20.704 -1.756 2.341 1.00 4.82 H new ATOM 0 HB3 ASN A 7 -19.682 -2.627 3.466 1.00 4.82 H new ATOM 0 HD21 ASN A 7 -17.208 -0.163 2.849 1.00 6.34 H new ATOM 0 HD22 ASN A 7 -18.337 -0.887 3.998 1.00 6.34 H new ATOM 34 N ARG A 8 -18.196 -5.342 1.485 1.00 2.49 N ATOM 35 CA ARG A 8 -17.461 -6.482 2.019 1.00 2.11 C ATOM 36 C ARG A 8 -15.963 -6.204 2.017 1.00 1.69 C ATOM 37 O ARG A 8 -15.438 -5.580 1.094 1.00 2.38 O ATOM 38 CB ARG A 8 -17.759 -7.728 1.192 1.00 2.95 C ATOM 39 CG ARG A 8 -19.178 -8.237 1.438 1.00 3.61 C ATOM 40 CD ARG A 8 -19.391 -9.622 0.833 1.00 4.57 C ATOM 41 NE ARG A 8 -19.511 -9.530 -0.618 1.00 5.39 N ATOM 42 CZ ARG A 8 -18.505 -9.854 -1.423 1.00 6.19 C ATOM 43 NH1 ARG A 8 -18.171 -11.125 -1.592 1.00 6.68 N ATOM 44 NH2 ARG A 8 -17.833 -8.906 -2.061 1.00 6.74 N ATOM 0 H ARG A 8 -17.935 -5.080 0.534 1.00 2.49 H new ATOM 0 HA ARG A 8 -17.781 -6.649 3.047 1.00 2.11 H new ATOM 0 HB2 ARG A 8 -17.631 -7.503 0.133 1.00 2.95 H new ATOM 0 HB3 ARG A 8 -17.042 -8.511 1.440 1.00 2.95 H new ATOM 0 HG2 ARG A 8 -19.371 -8.274 2.510 1.00 3.61 H new ATOM 0 HG3 ARG A 8 -19.896 -7.538 1.009 1.00 3.61 H new ATOM 0 HD2 ARG A 8 -18.556 -10.272 1.095 1.00 4.57 H new ATOM 0 HD3 ARG A 8 -20.291 -10.074 1.251 1.00 4.57 H new ATOM 0 HE ARG A 8 -20.390 -9.209 -1.025 1.00 5.39 H new ATOM 0 HH11 ARG A 8 -18.687 -11.857 -1.104 1.00 6.68 H new ATOM 0 HH12 ARG A 8 -17.398 -11.371 -2.211 1.00 6.68 H new ATOM 0 HH21 ARG A 8 -18.088 -7.927 -1.934 1.00 6.74 H new ATOM 0 HH22 ARG A 8 -17.061 -9.156 -2.679 1.00 6.74 H new ATOM 58 N MET A 9 -15.279 -6.671 3.057 1.00 1.18 N ATOM 59 CA MET A 9 -13.837 -6.476 3.184 1.00 0.82 C ATOM 60 C MET A 9 -13.124 -6.886 1.900 1.00 0.72 C ATOM 61 O MET A 9 -13.367 -7.967 1.363 1.00 0.97 O ATOM 62 CB MET A 9 -13.307 -7.296 4.358 1.00 1.08 C ATOM 63 CG MET A 9 -11.790 -7.188 4.484 1.00 1.61 C ATOM 64 SD MET A 9 -11.100 -8.429 5.592 1.00 2.27 S ATOM 65 CE MET A 9 -9.370 -7.938 5.621 1.00 2.82 C ATOM 0 H MET A 9 -15.701 -7.189 3.827 1.00 1.18 H new ATOM 0 HA MET A 9 -13.643 -5.419 3.364 1.00 0.82 H new ATOM 0 HB2 MET A 9 -13.774 -6.953 5.281 1.00 1.08 H new ATOM 0 HB3 MET A 9 -13.588 -8.341 4.228 1.00 1.08 H new ATOM 0 HG2 MET A 9 -11.338 -7.295 3.498 1.00 1.61 H new ATOM 0 HG3 MET A 9 -11.529 -6.195 4.849 1.00 1.61 H new ATOM 0 HE1 MET A 9 -8.779 -8.717 6.102 1.00 2.82 H new ATOM 0 HE2 MET A 9 -9.016 -7.792 4.600 1.00 2.82 H new ATOM 0 HE3 MET A 9 -9.265 -7.007 6.178 1.00 2.82 H new ATOM 75 N ASP A 10 -12.241 -6.018 1.414 1.00 0.49 N ATOM 76 CA ASP A 10 -11.489 -6.293 0.193 1.00 0.42 C ATOM 77 C ASP A 10 -10.011 -5.990 0.397 1.00 0.38 C ATOM 78 O ASP A 10 -9.654 -5.035 1.086 1.00 0.54 O ATOM 79 CB ASP A 10 -12.034 -5.456 -0.960 1.00 0.44 C ATOM 80 CG ASP A 10 -13.558 -5.495 -0.972 1.00 0.86 C ATOM 81 OD1 ASP A 10 -14.127 -6.579 -0.726 1.00 1.55 O ATOM 82 OD2 ASP A 10 -14.178 -4.441 -1.226 1.00 1.53 O ATOM 0 H ASP A 10 -12.029 -5.119 1.846 1.00 0.49 H new ATOM 0 HA ASP A 10 -11.600 -7.350 -0.049 1.00 0.42 H new ATOM 0 HB2 ASP A 10 -11.691 -4.426 -0.864 1.00 0.44 H new ATOM 0 HB3 ASP A 10 -11.647 -5.834 -1.906 1.00 0.44 H new ATOM 87 N TYR A 11 -9.153 -6.808 -0.206 1.00 0.40 N ATOM 88 CA TYR A 11 -7.711 -6.626 -0.087 1.00 0.37 C ATOM 89 C TYR A 11 -7.017 -6.908 -1.415 1.00 0.34 C ATOM 90 O TYR A 11 -7.623 -7.444 -2.342 1.00 0.38 O ATOM 91 CB TYR A 11 -7.156 -7.547 0.995 1.00 0.42 C ATOM 92 CG TYR A 11 -7.602 -8.979 0.837 1.00 0.48 C ATOM 93 CD1 TYR A 11 -6.964 -9.810 -0.068 1.00 0.57 C ATOM 94 CD2 TYR A 11 -8.651 -9.467 1.594 1.00 0.54 C ATOM 95 CE1 TYR A 11 -7.374 -11.124 -0.213 1.00 0.67 C ATOM 96 CE2 TYR A 11 -9.062 -10.781 1.449 1.00 0.63 C ATOM 97 CZ TYR A 11 -8.417 -11.605 0.548 1.00 0.67 C ATOM 98 OH TYR A 11 -8.829 -12.909 0.401 1.00 0.78 O ATOM 0 H TYR A 11 -9.432 -7.603 -0.781 1.00 0.40 H new ATOM 0 HA TYR A 11 -7.518 -5.589 0.189 1.00 0.37 H new ATOM 0 HB2 TYR A 11 -6.067 -7.507 0.974 1.00 0.42 H new ATOM 0 HB3 TYR A 11 -7.470 -7.180 1.972 1.00 0.42 H new ATOM 0 HD1 TYR A 11 -6.145 -9.432 -0.662 1.00 0.57 H new ATOM 0 HD2 TYR A 11 -9.151 -8.821 2.300 1.00 0.54 H new ATOM 0 HE1 TYR A 11 -6.877 -11.771 -0.921 1.00 0.67 H new ATOM 0 HE2 TYR A 11 -9.884 -11.160 2.038 1.00 0.63 H new ATOM 0 HH TYR A 11 -9.574 -13.088 1.012 1.00 0.78 H new ATOM 108 N VAL A 12 -5.742 -6.540 -1.496 1.00 0.34 N ATOM 109 CA VAL A 12 -4.956 -6.747 -2.708 1.00 0.34 C ATOM 110 C VAL A 12 -3.496 -6.380 -2.463 1.00 0.35 C ATOM 111 O VAL A 12 -3.202 -5.407 -1.768 1.00 0.51 O ATOM 112 CB VAL A 12 -5.522 -5.899 -3.843 1.00 0.38 C ATOM 113 CG1 VAL A 12 -5.598 -4.430 -3.430 1.00 0.52 C ATOM 114 CG2 VAL A 12 -4.687 -6.062 -5.110 1.00 0.81 C ATOM 0 H VAL A 12 -5.230 -6.096 -0.734 1.00 0.34 H new ATOM 0 HA VAL A 12 -5.009 -7.800 -2.985 1.00 0.34 H new ATOM 0 HB VAL A 12 -6.533 -6.247 -4.057 1.00 0.38 H new ATOM 0 HG11 VAL A 12 -6.004 -3.841 -4.253 1.00 0.52 H new ATOM 0 HG12 VAL A 12 -6.245 -4.330 -2.558 1.00 0.52 H new ATOM 0 HG13 VAL A 12 -4.599 -4.069 -3.184 1.00 0.52 H new ATOM 0 HG21 VAL A 12 -5.109 -5.448 -5.906 1.00 0.81 H new ATOM 0 HG22 VAL A 12 -3.662 -5.747 -4.914 1.00 0.81 H new ATOM 0 HG23 VAL A 12 -4.692 -7.108 -5.417 1.00 0.81 H new ATOM 124 N GLU A 13 -2.586 -7.163 -3.034 1.00 0.49 N ATOM 125 CA GLU A 13 -1.155 -6.916 -2.872 1.00 0.54 C ATOM 126 C GLU A 13 -0.545 -6.415 -4.174 1.00 0.50 C ATOM 127 O GLU A 13 -1.058 -6.688 -5.259 1.00 0.60 O ATOM 128 CB GLU A 13 -0.447 -8.196 -2.434 1.00 0.67 C ATOM 129 CG GLU A 13 -1.265 -8.978 -1.410 1.00 1.05 C ATOM 130 CD GLU A 13 -0.796 -8.651 0.002 1.00 1.43 C ATOM 131 OE1 GLU A 13 -0.893 -7.472 0.403 1.00 1.97 O ATOM 132 OE2 GLU A 13 -0.336 -9.574 0.706 1.00 2.05 O ATOM 0 H GLU A 13 -2.812 -7.972 -3.612 1.00 0.49 H new ATOM 0 HA GLU A 13 -1.025 -6.151 -2.106 1.00 0.54 H new ATOM 0 HB2 GLU A 13 -0.261 -8.824 -3.305 1.00 0.67 H new ATOM 0 HB3 GLU A 13 0.524 -7.946 -2.008 1.00 0.67 H new ATOM 0 HG2 GLU A 13 -2.322 -8.733 -1.515 1.00 1.05 H new ATOM 0 HG3 GLU A 13 -1.165 -10.048 -1.595 1.00 1.05 H new ATOM 139 N ILE A 14 0.560 -5.685 -4.059 1.00 0.48 N ATOM 140 CA ILE A 14 1.252 -5.150 -5.227 1.00 0.49 C ATOM 141 C ILE A 14 2.726 -5.530 -5.189 1.00 0.48 C ATOM 142 O ILE A 14 3.427 -5.241 -4.217 1.00 0.43 O ATOM 143 CB ILE A 14 1.113 -3.631 -5.276 1.00 0.52 C ATOM 144 CG1 ILE A 14 1.506 -3.013 -3.937 1.00 0.51 C ATOM 145 CG2 ILE A 14 -0.307 -3.222 -5.657 1.00 0.64 C ATOM 146 CD1 ILE A 14 1.452 -1.488 -3.987 1.00 0.63 C ATOM 0 H ILE A 14 0.996 -5.450 -3.167 1.00 0.48 H new ATOM 0 HA ILE A 14 0.798 -5.577 -6.121 1.00 0.49 H new ATOM 0 HB ILE A 14 1.790 -3.256 -6.044 1.00 0.52 H new ATOM 0 HG12 ILE A 14 0.837 -3.376 -3.157 1.00 0.51 H new ATOM 0 HG13 ILE A 14 2.513 -3.334 -3.668 1.00 0.51 H new ATOM 0 HG21 ILE A 14 -0.377 -2.135 -5.684 1.00 0.64 H new ATOM 0 HG22 ILE A 14 -0.551 -3.626 -6.639 1.00 0.64 H new ATOM 0 HG23 ILE A 14 -1.008 -3.613 -4.920 1.00 0.64 H new ATOM 0 HD11 ILE A 14 1.738 -1.082 -3.017 1.00 0.63 H new ATOM 0 HD12 ILE A 14 2.141 -1.124 -4.750 1.00 0.63 H new ATOM 0 HD13 ILE A 14 0.439 -1.168 -4.230 1.00 0.63 H new ATOM 158 N ASN A 15 3.192 -6.183 -6.250 1.00 0.59 N ATOM 159 CA ASN A 15 4.585 -6.605 -6.340 1.00 0.62 C ATOM 160 C ASN A 15 5.496 -5.396 -6.503 1.00 0.60 C ATOM 161 O ASN A 15 5.328 -4.600 -7.426 1.00 0.78 O ATOM 162 CB ASN A 15 4.768 -7.556 -7.518 1.00 0.79 C ATOM 163 CG ASN A 15 5.704 -8.696 -7.138 1.00 1.31 C ATOM 164 OD1 ASN A 15 6.913 -8.504 -7.013 1.00 2.20 O ATOM 165 ND2 ASN A 15 5.145 -9.886 -6.952 1.00 1.54 N ATOM 0 H ASN A 15 2.624 -6.431 -7.060 1.00 0.59 H new ATOM 0 HA ASN A 15 4.852 -7.123 -5.419 1.00 0.62 H new ATOM 0 HB2 ASN A 15 3.802 -7.957 -7.824 1.00 0.79 H new ATOM 0 HB3 ASN A 15 5.173 -7.014 -8.372 1.00 0.79 H new ATOM 0 HD21 ASN A 15 5.723 -10.686 -6.695 1.00 1.54 H new ATOM 0 HD22 ASN A 15 4.138 -10.000 -7.066 1.00 1.54 H new ATOM 172 N ILE A 16 6.462 -5.262 -5.600 1.00 0.49 N ATOM 173 CA ILE A 16 7.399 -4.147 -5.644 1.00 0.49 C ATOM 174 C ILE A 16 8.767 -4.585 -5.139 1.00 0.56 C ATOM 175 O ILE A 16 8.873 -5.477 -4.297 1.00 0.66 O ATOM 176 CB ILE A 16 6.867 -2.995 -4.794 1.00 0.48 C ATOM 177 CG1 ILE A 16 5.526 -2.507 -5.338 1.00 0.63 C ATOM 178 CG2 ILE A 16 7.870 -1.847 -4.736 1.00 0.58 C ATOM 179 CD1 ILE A 16 4.996 -1.316 -4.544 1.00 0.84 C ATOM 0 H ILE A 16 6.616 -5.912 -4.829 1.00 0.49 H new ATOM 0 HA ILE A 16 7.503 -3.812 -6.676 1.00 0.49 H new ATOM 0 HB ILE A 16 6.719 -3.364 -3.779 1.00 0.48 H new ATOM 0 HG12 ILE A 16 5.638 -2.226 -6.385 1.00 0.63 H new ATOM 0 HG13 ILE A 16 4.801 -3.320 -5.302 1.00 0.63 H new ATOM 0 HG21 ILE A 16 7.465 -1.041 -4.124 1.00 0.58 H new ATOM 0 HG22 ILE A 16 8.803 -2.201 -4.298 1.00 0.58 H new ATOM 0 HG23 ILE A 16 8.059 -1.478 -5.744 1.00 0.58 H new ATOM 0 HD11 ILE A 16 4.041 -0.997 -4.961 1.00 0.84 H new ATOM 0 HD12 ILE A 16 4.859 -1.605 -3.502 1.00 0.84 H new ATOM 0 HD13 ILE A 16 5.709 -0.494 -4.601 1.00 0.84 H new ATOM 191 N ASP A 17 9.815 -3.959 -5.663 1.00 0.63 N ATOM 192 CA ASP A 17 11.178 -4.284 -5.269 1.00 0.75 C ATOM 193 C ASP A 17 12.159 -3.273 -5.845 1.00 1.00 C ATOM 194 O ASP A 17 12.733 -3.488 -6.912 1.00 1.75 O ATOM 195 CB ASP A 17 11.531 -5.679 -5.759 1.00 1.27 C ATOM 196 CG ASP A 17 10.465 -6.190 -6.719 1.00 1.63 C ATOM 197 OD1 ASP A 17 9.294 -5.773 -6.586 1.00 2.16 O ATOM 198 OD2 ASP A 17 10.801 -7.004 -7.604 1.00 2.21 O ATOM 0 H ASP A 17 9.745 -3.221 -6.364 1.00 0.63 H new ATOM 0 HA ASP A 17 11.245 -4.250 -4.182 1.00 0.75 H new ATOM 0 HB2 ASP A 17 12.500 -5.662 -6.257 1.00 1.27 H new ATOM 0 HB3 ASP A 17 11.621 -6.357 -4.911 1.00 1.27 H new ATOM 203 N HIS A 18 12.349 -2.171 -5.131 1.00 1.27 N ATOM 204 CA HIS A 18 13.263 -1.124 -5.568 1.00 1.85 C ATOM 205 C HIS A 18 13.300 0.001 -4.545 1.00 1.32 C ATOM 206 O HIS A 18 13.071 1.164 -4.876 1.00 2.00 O ATOM 207 CB HIS A 18 12.825 -0.579 -6.924 1.00 2.83 C ATOM 208 CG HIS A 18 13.927 0.124 -7.655 1.00 3.48 C ATOM 209 ND1 HIS A 18 14.330 1.401 -7.360 1.00 4.01 N ATOM 210 CD2 HIS A 18 14.725 -0.267 -8.681 1.00 4.16 C ATOM 211 CE1 HIS A 18 15.311 1.778 -8.148 1.00 4.73 C ATOM 212 NE2 HIS A 18 15.581 0.779 -8.972 1.00 4.84 N ATOM 0 H HIS A 18 11.881 -1.979 -4.245 1.00 1.27 H new ATOM 0 HA HIS A 18 14.262 -1.549 -5.662 1.00 1.85 H new ATOM 0 HB2 HIS A 18 12.456 -1.401 -7.538 1.00 2.83 H new ATOM 0 HB3 HIS A 18 11.993 0.111 -6.781 1.00 2.83 H new ATOM 0 HD1 HIS A 18 13.922 1.981 -6.626 1.00 4.01 H new ATOM 0 HD2 HIS A 18 14.696 -1.224 -9.181 1.00 4.16 H new ATOM 0 HE1 HIS A 18 15.810 2.736 -8.127 1.00 4.73 H new ATOM 220 N LYS A 19 13.586 -0.354 -3.296 1.00 0.82 N ATOM 221 CA LYS A 19 13.648 0.623 -2.219 1.00 0.84 C ATOM 222 C LYS A 19 12.360 1.435 -2.164 1.00 0.77 C ATOM 223 O LYS A 19 12.354 2.574 -1.696 1.00 1.13 O ATOM 224 CB LYS A 19 14.841 1.551 -2.427 1.00 1.47 C ATOM 225 CG LYS A 19 16.151 0.772 -2.505 1.00 1.97 C ATOM 226 CD LYS A 19 17.269 1.474 -1.738 1.00 2.72 C ATOM 227 CE LYS A 19 17.421 0.913 -0.328 1.00 3.37 C ATOM 228 NZ LYS A 19 18.676 0.122 -0.191 1.00 4.03 N ATOM 0 H LYS A 19 13.778 -1.313 -3.007 1.00 0.82 H new ATOM 0 HA LYS A 19 13.767 0.094 -1.273 1.00 0.84 H new ATOM 0 HB2 LYS A 19 14.702 2.123 -3.344 1.00 1.47 H new ATOM 0 HB3 LYS A 19 14.892 2.269 -1.608 1.00 1.47 H new ATOM 0 HG2 LYS A 19 16.004 -0.229 -2.100 1.00 1.97 H new ATOM 0 HG3 LYS A 19 16.443 0.654 -3.548 1.00 1.97 H new ATOM 0 HD2 LYS A 19 18.209 1.360 -2.279 1.00 2.72 H new ATOM 0 HD3 LYS A 19 17.059 2.542 -1.684 1.00 2.72 H new ATOM 0 HE2 LYS A 19 17.424 1.731 0.392 1.00 3.37 H new ATOM 0 HE3 LYS A 19 16.564 0.283 -0.091 1.00 3.37 H new ATOM 0 HZ1 LYS A 19 18.750 -0.246 0.779 1.00 4.03 H new ATOM 0 HZ2 LYS A 19 18.661 -0.672 -0.862 1.00 4.03 H new ATOM 0 HZ3 LYS A 19 19.494 0.731 -0.394 1.00 4.03 H new ATOM 242 N PHE A 20 11.270 0.844 -2.646 1.00 0.63 N ATOM 243 CA PHE A 20 9.974 1.514 -2.654 1.00 0.61 C ATOM 244 C PHE A 20 9.493 1.773 -1.233 1.00 0.62 C ATOM 245 O PHE A 20 9.168 2.905 -0.872 1.00 0.95 O ATOM 246 CB PHE A 20 8.948 0.658 -3.395 1.00 0.62 C ATOM 247 CG PHE A 20 8.569 1.224 -4.739 1.00 0.75 C ATOM 248 CD1 PHE A 20 9.547 1.479 -5.687 1.00 1.08 C ATOM 249 CD2 PHE A 20 7.243 1.493 -5.030 1.00 0.96 C ATOM 250 CE1 PHE A 20 9.198 2.000 -6.921 1.00 1.26 C ATOM 251 CE2 PHE A 20 6.894 2.013 -6.265 1.00 1.17 C ATOM 252 CZ PHE A 20 7.870 2.263 -7.210 1.00 1.19 C ATOM 0 H PHE A 20 11.259 -0.098 -3.036 1.00 0.63 H new ATOM 0 HA PHE A 20 10.086 2.470 -3.165 1.00 0.61 H new ATOM 0 HB2 PHE A 20 9.350 -0.346 -3.530 1.00 0.62 H new ATOM 0 HB3 PHE A 20 8.052 0.562 -2.782 1.00 0.62 H new ATOM 0 HD1 PHE A 20 10.583 1.271 -5.463 1.00 1.08 H new ATOM 0 HD2 PHE A 20 6.479 1.297 -4.292 1.00 0.96 H new ATOM 0 HE1 PHE A 20 9.961 2.201 -7.658 1.00 1.26 H new ATOM 0 HE2 PHE A 20 5.859 2.223 -6.489 1.00 1.17 H new ATOM 0 HZ PHE A 20 7.597 2.664 -8.175 1.00 1.19 H new ATOM 262 N HIS A 21 9.441 0.715 -0.431 1.00 0.53 N ATOM 263 CA HIS A 21 8.992 0.815 0.953 1.00 0.57 C ATOM 264 C HIS A 21 9.677 1.973 1.669 1.00 0.69 C ATOM 265 O HIS A 21 9.043 2.977 1.992 1.00 1.03 O ATOM 266 CB HIS A 21 9.286 -0.488 1.687 1.00 0.54 C ATOM 267 CG HIS A 21 8.523 -1.656 1.141 1.00 0.47 C ATOM 268 ND1 HIS A 21 8.228 -2.773 1.879 1.00 0.48 N ATOM 269 CD2 HIS A 21 7.980 -1.891 -0.081 1.00 0.44 C ATOM 270 CE1 HIS A 21 7.551 -3.642 1.168 1.00 0.45 C ATOM 271 NE2 HIS A 21 7.379 -3.136 -0.042 1.00 0.42 N ATOM 0 H HIS A 21 9.706 -0.227 -0.718 1.00 0.53 H new ATOM 0 HA HIS A 21 7.918 1.000 0.950 1.00 0.57 H new ATOM 0 HB2 HIS A 21 10.354 -0.699 1.627 1.00 0.54 H new ATOM 0 HB3 HIS A 21 9.045 -0.366 2.743 1.00 0.54 H new ATOM 0 HD1 HIS A 21 8.499 -2.910 2.853 1.00 0.48 H new ATOM 0 HD2 HIS A 21 8.012 -1.225 -0.931 1.00 0.44 H new ATOM 0 HE1 HIS A 21 7.196 -4.603 1.510 1.00 0.45 H new ATOM 279 N ARG A 22 10.972 1.822 1.924 1.00 0.68 N ATOM 280 CA ARG A 22 11.746 2.850 2.615 1.00 0.80 C ATOM 281 C ARG A 22 11.487 4.227 2.011 1.00 0.81 C ATOM 282 O ARG A 22 11.599 5.245 2.695 1.00 0.92 O ATOM 283 CB ARG A 22 13.235 2.524 2.539 1.00 0.93 C ATOM 284 CG ARG A 22 13.574 1.266 3.333 1.00 1.64 C ATOM 285 CD ARG A 22 14.934 1.381 4.015 1.00 2.14 C ATOM 286 NE ARG A 22 14.904 0.730 5.319 1.00 2.73 N ATOM 287 CZ ARG A 22 15.565 -0.399 5.552 1.00 3.33 C ATOM 288 NH1 ARG A 22 16.880 -0.445 5.388 1.00 3.72 N ATOM 289 NH2 ARG A 22 14.912 -1.482 5.952 1.00 3.95 N ATOM 0 H ARG A 22 11.510 0.996 1.662 1.00 0.68 H new ATOM 0 HA ARG A 22 11.432 2.867 3.659 1.00 0.80 H new ATOM 0 HB2 ARG A 22 13.526 2.387 1.497 1.00 0.93 H new ATOM 0 HB3 ARG A 22 13.813 3.365 2.923 1.00 0.93 H new ATOM 0 HG2 ARG A 22 12.804 1.090 4.084 1.00 1.64 H new ATOM 0 HG3 ARG A 22 13.572 0.403 2.667 1.00 1.64 H new ATOM 0 HD2 ARG A 22 15.701 0.923 3.390 1.00 2.14 H new ATOM 0 HD3 ARG A 22 15.202 2.431 4.132 1.00 2.14 H new ATOM 0 HE ARG A 22 14.361 1.152 6.072 1.00 2.73 H new ATOM 0 HH11 ARG A 22 17.385 0.387 5.083 1.00 3.72 H new ATOM 0 HH12 ARG A 22 17.386 -1.312 5.567 1.00 3.72 H new ATOM 0 HH21 ARG A 22 13.901 -1.449 6.081 1.00 3.95 H new ATOM 0 HH22 ARG A 22 15.421 -2.348 6.130 1.00 3.95 H new ATOM 303 N HIS A 23 11.143 4.253 0.728 1.00 0.90 N ATOM 304 CA HIS A 23 10.869 5.507 0.034 1.00 0.98 C ATOM 305 C HIS A 23 9.455 5.985 0.333 1.00 0.96 C ATOM 306 O HIS A 23 9.234 7.163 0.615 1.00 1.12 O ATOM 307 CB HIS A 23 11.048 5.323 -1.469 1.00 1.02 C ATOM 308 CG HIS A 23 12.365 5.832 -1.968 1.00 1.30 C ATOM 309 ND1 HIS A 23 12.894 7.042 -1.599 1.00 1.83 N ATOM 310 CD2 HIS A 23 13.279 5.297 -2.819 1.00 1.56 C ATOM 311 CE1 HIS A 23 14.053 7.245 -2.179 1.00 2.07 C ATOM 312 NE2 HIS A 23 14.323 6.194 -2.936 1.00 1.86 N ATOM 0 H HIS A 23 11.047 3.420 0.147 1.00 0.90 H new ATOM 0 HA HIS A 23 11.574 6.259 0.388 1.00 0.98 H new ATOM 0 HB2 HIS A 23 10.958 4.265 -1.713 1.00 1.02 H new ATOM 0 HB3 HIS A 23 10.243 5.840 -1.991 1.00 1.02 H new ATOM 0 HD2 HIS A 23 13.203 4.341 -3.315 1.00 1.56 H new ATOM 0 HE1 HIS A 23 14.678 8.118 -2.059 1.00 2.07 H new ATOM 0 HE2 HIS A 23 15.158 6.068 -3.508 1.00 1.86 H new ATOM 320 N LEU A 24 8.497 5.065 0.269 1.00 0.86 N ATOM 321 CA LEU A 24 7.102 5.392 0.533 1.00 0.87 C ATOM 322 C LEU A 24 6.935 5.897 1.960 1.00 0.97 C ATOM 323 O LEU A 24 6.463 7.012 2.184 1.00 1.16 O ATOM 324 CB LEU A 24 6.226 4.163 0.316 1.00 0.73 C ATOM 325 CG LEU A 24 5.935 3.933 -1.164 1.00 0.76 C ATOM 326 CD1 LEU A 24 6.429 2.558 -1.604 1.00 0.72 C ATOM 327 CD2 LEU A 24 4.445 4.087 -1.451 1.00 1.25 C ATOM 0 H LEU A 24 8.663 4.086 0.036 1.00 0.86 H new ATOM 0 HA LEU A 24 6.795 6.178 -0.157 1.00 0.87 H new ATOM 0 HB2 LEU A 24 6.721 3.285 0.730 1.00 0.73 H new ATOM 0 HB3 LEU A 24 5.288 4.285 0.857 1.00 0.73 H new ATOM 0 HG LEU A 24 6.473 4.688 -1.738 1.00 0.76 H new ATOM 0 HD11 LEU A 24 6.211 2.415 -2.662 1.00 0.72 H new ATOM 0 HD12 LEU A 24 7.505 2.489 -1.442 1.00 0.72 H new ATOM 0 HD13 LEU A 24 5.924 1.787 -1.022 1.00 0.72 H new ATOM 0 HD21 LEU A 24 4.260 3.919 -2.512 1.00 1.25 H new ATOM 0 HD22 LEU A 24 3.884 3.359 -0.865 1.00 1.25 H new ATOM 0 HD23 LEU A 24 4.125 5.093 -1.182 1.00 1.25 H new ATOM 339 N ILE A 25 7.324 5.068 2.922 1.00 0.92 N ATOM 340 CA ILE A 25 7.218 5.425 4.331 1.00 1.10 C ATOM 341 C ILE A 25 8.163 6.574 4.666 1.00 1.41 C ATOM 342 O ILE A 25 7.931 7.322 5.616 1.00 1.91 O ATOM 343 CB ILE A 25 7.542 4.216 5.201 1.00 0.94 C ATOM 344 CG1 ILE A 25 8.970 3.736 4.947 1.00 0.90 C ATOM 345 CG2 ILE A 25 6.548 3.086 4.952 1.00 1.06 C ATOM 346 CD1 ILE A 25 9.617 3.204 6.224 1.00 0.91 C ATOM 0 H ILE A 25 7.716 4.142 2.751 1.00 0.92 H new ATOM 0 HA ILE A 25 6.196 5.747 4.530 1.00 1.10 H new ATOM 0 HB ILE A 25 7.460 4.520 6.245 1.00 0.94 H new ATOM 0 HG12 ILE A 25 8.962 2.953 4.188 1.00 0.90 H new ATOM 0 HG13 ILE A 25 9.566 4.558 4.551 1.00 0.90 H new ATOM 0 HG21 ILE A 25 6.800 2.234 5.584 1.00 1.06 H new ATOM 0 HG22 ILE A 25 5.541 3.429 5.189 1.00 1.06 H new ATOM 0 HG23 ILE A 25 6.592 2.786 3.905 1.00 1.06 H new ATOM 0 HD11 ILE A 25 10.632 2.871 6.006 1.00 0.91 H new ATOM 0 HD12 ILE A 25 9.647 3.995 6.973 1.00 0.91 H new ATOM 0 HD13 ILE A 25 9.034 2.365 6.605 1.00 0.91 H new ATOM 358 N GLY A 26 9.227 6.710 3.881 1.00 1.49 N ATOM 359 CA GLY A 26 10.207 7.768 4.097 1.00 1.87 C ATOM 360 C GLY A 26 11.078 7.465 5.310 1.00 1.82 C ATOM 361 O GLY A 26 11.787 6.458 5.340 1.00 2.29 O ATOM 0 H GLY A 26 9.432 6.100 3.089 1.00 1.49 H new ATOM 0 HA2 GLY A 26 10.834 7.874 3.212 1.00 1.87 H new ATOM 0 HA3 GLY A 26 9.695 8.719 4.241 1.00 1.87 H new ATOM 365 N LYS A 27 11.022 8.341 6.307 1.00 1.86 N ATOM 366 CA LYS A 27 11.808 8.168 7.523 1.00 1.91 C ATOM 367 C LYS A 27 10.899 8.034 8.741 1.00 1.62 C ATOM 368 O LYS A 27 11.204 7.291 9.673 1.00 2.38 O ATOM 369 CB LYS A 27 12.750 9.354 7.706 1.00 2.21 C ATOM 370 CG LYS A 27 14.191 8.981 7.369 1.00 2.65 C ATOM 371 CD LYS A 27 14.339 8.588 5.901 1.00 3.30 C ATOM 372 CE LYS A 27 15.316 7.429 5.726 1.00 3.80 C ATOM 373 NZ LYS A 27 16.704 7.831 6.085 1.00 4.51 N ATOM 0 H LYS A 27 10.440 9.179 6.297 1.00 1.86 H new ATOM 0 HA LYS A 27 12.393 7.253 7.428 1.00 1.91 H new ATOM 0 HB2 LYS A 27 12.428 10.178 7.069 1.00 2.21 H new ATOM 0 HB3 LYS A 27 12.696 9.708 8.736 1.00 2.21 H new ATOM 0 HG2 LYS A 27 14.847 9.823 7.589 1.00 2.65 H new ATOM 0 HG3 LYS A 27 14.511 8.154 8.002 1.00 2.65 H new ATOM 0 HD2 LYS A 27 13.365 8.308 5.499 1.00 3.30 H new ATOM 0 HD3 LYS A 27 14.686 9.447 5.327 1.00 3.30 H new ATOM 0 HE2 LYS A 27 15.005 6.591 6.350 1.00 3.80 H new ATOM 0 HE3 LYS A 27 15.291 7.083 4.693 1.00 3.80 H new ATOM 0 HZ1 LYS A 27 17.344 7.022 5.956 1.00 4.51 H new ATOM 0 HZ2 LYS A 27 17.008 8.614 5.472 1.00 4.51 H new ATOM 0 HZ3 LYS A 27 16.731 8.138 7.078 1.00 4.51 H new ATOM 387 N SER A 28 9.785 8.759 8.727 1.00 1.28 N ATOM 388 CA SER A 28 8.833 8.722 9.832 1.00 1.60 C ATOM 389 C SER A 28 7.837 7.584 9.646 1.00 1.60 C ATOM 390 O SER A 28 7.488 6.890 10.600 1.00 2.28 O ATOM 391 CB SER A 28 8.090 10.050 9.925 1.00 1.99 C ATOM 392 OG SER A 28 8.888 11.016 10.595 1.00 2.57 O ATOM 0 H SER A 28 9.519 9.380 7.962 1.00 1.28 H new ATOM 0 HA SER A 28 9.385 8.553 10.757 1.00 1.60 H new ATOM 0 HB2 SER A 28 7.840 10.405 8.925 1.00 1.99 H new ATOM 0 HB3 SER A 28 7.150 9.912 10.459 1.00 1.99 H new ATOM 0 HG SER A 28 8.400 11.864 10.647 1.00 2.57 H new ATOM 398 N GLY A 29 7.383 7.397 8.410 1.00 1.21 N ATOM 399 CA GLY A 29 6.426 6.342 8.098 1.00 1.23 C ATOM 400 C GLY A 29 4.995 6.829 8.287 1.00 1.36 C ATOM 401 O GLY A 29 4.147 6.106 8.810 1.00 2.05 O ATOM 0 H GLY A 29 7.663 7.963 7.609 1.00 1.21 H new ATOM 0 HA2 GLY A 29 6.568 6.010 7.070 1.00 1.23 H new ATOM 0 HA3 GLY A 29 6.608 5.480 8.739 1.00 1.23 H new ATOM 405 N ALA A 30 4.733 8.059 7.858 1.00 1.00 N ATOM 406 CA ALA A 30 3.404 8.646 7.981 1.00 1.10 C ATOM 407 C ALA A 30 2.713 8.726 6.622 1.00 1.06 C ATOM 408 O ALA A 30 1.493 8.858 6.547 1.00 1.43 O ATOM 409 CB ALA A 30 3.505 10.039 8.595 1.00 1.27 C ATOM 0 H ALA A 30 5.424 8.669 7.422 1.00 1.00 H new ATOM 0 HA ALA A 30 2.807 8.006 8.631 1.00 1.10 H new ATOM 0 HB1 ALA A 30 2.508 10.471 8.684 1.00 1.27 H new ATOM 0 HB2 ALA A 30 3.959 9.969 9.583 1.00 1.27 H new ATOM 0 HB3 ALA A 30 4.120 10.674 7.957 1.00 1.27 H new ATOM 415 N ASN A 31 3.498 8.647 5.547 1.00 0.73 N ATOM 416 CA ASN A 31 2.956 8.712 4.193 1.00 0.69 C ATOM 417 C ASN A 31 1.759 7.779 4.043 1.00 0.60 C ATOM 418 O ASN A 31 0.651 8.218 3.732 1.00 0.58 O ATOM 419 CB ASN A 31 4.036 8.333 3.184 1.00 0.71 C ATOM 420 CG ASN A 31 4.633 9.584 2.553 1.00 1.24 C ATOM 421 OD1 ASN A 31 4.922 10.562 3.242 1.00 1.91 O ATOM 422 ND2 ASN A 31 4.820 9.553 1.237 1.00 1.42 N ATOM 0 H ASN A 31 4.511 8.538 5.590 1.00 0.73 H new ATOM 0 HA ASN A 31 2.624 9.733 4.004 1.00 0.69 H new ATOM 0 HB2 ASN A 31 4.819 7.758 3.678 1.00 0.71 H new ATOM 0 HB3 ASN A 31 3.612 7.694 2.410 1.00 0.71 H new ATOM 0 HD21 ASN A 31 5.218 10.362 0.759 1.00 1.42 H new ATOM 0 HD22 ASN A 31 4.566 8.721 0.705 1.00 1.42 H new ATOM 429 N ILE A 32 1.989 6.487 4.264 1.00 0.58 N ATOM 430 CA ILE A 32 0.927 5.491 4.151 1.00 0.56 C ATOM 431 C ILE A 32 -0.307 5.926 4.934 1.00 0.52 C ATOM 432 O ILE A 32 -1.436 5.617 4.554 1.00 0.51 O ATOM 433 CB ILE A 32 1.418 4.130 4.648 1.00 0.63 C ATOM 434 CG1 ILE A 32 1.614 4.129 6.167 1.00 0.70 C ATOM 435 CG2 ILE A 32 2.706 3.723 3.936 1.00 0.69 C ATOM 436 CD1 ILE A 32 2.814 4.971 6.593 1.00 1.07 C ATOM 0 H ILE A 32 2.899 6.106 4.522 1.00 0.58 H new ATOM 0 HA ILE A 32 0.653 5.402 3.100 1.00 0.56 H new ATOM 0 HB ILE A 32 0.649 3.394 4.411 1.00 0.63 H new ATOM 0 HG12 ILE A 32 0.714 4.512 6.648 1.00 0.70 H new ATOM 0 HG13 ILE A 32 1.749 3.105 6.514 1.00 0.70 H new ATOM 0 HG21 ILE A 32 3.035 2.752 4.306 1.00 0.69 H new ATOM 0 HG22 ILE A 32 2.524 3.659 2.863 1.00 0.69 H new ATOM 0 HG23 ILE A 32 3.479 4.466 4.130 1.00 0.69 H new ATOM 0 HD11 ILE A 32 2.913 4.940 7.678 1.00 1.07 H new ATOM 0 HD12 ILE A 32 3.719 4.573 6.134 1.00 1.07 H new ATOM 0 HD13 ILE A 32 2.668 6.002 6.271 1.00 1.07 H new ATOM 448 N ASN A 33 -0.086 6.651 6.027 1.00 0.56 N ATOM 449 CA ASN A 33 -1.182 7.135 6.857 1.00 0.59 C ATOM 450 C ASN A 33 -2.025 8.133 6.076 1.00 0.54 C ATOM 451 O ASN A 33 -3.255 8.072 6.094 1.00 0.55 O ATOM 452 CB ASN A 33 -0.637 7.795 8.121 1.00 0.71 C ATOM 453 CG ASN A 33 -1.439 7.352 9.337 1.00 0.97 C ATOM 454 OD1 ASN A 33 -0.916 6.690 10.233 1.00 1.51 O ATOM 455 ND2 ASN A 33 -2.716 7.721 9.370 1.00 1.62 N ATOM 0 H ASN A 33 0.842 6.916 6.357 1.00 0.56 H new ATOM 0 HA ASN A 33 -1.805 6.287 7.143 1.00 0.59 H new ATOM 0 HB2 ASN A 33 0.412 7.531 8.253 1.00 0.71 H new ATOM 0 HB3 ASN A 33 -0.683 8.880 8.022 1.00 0.71 H new ATOM 0 HD21 ASN A 33 -3.303 7.455 10.160 1.00 1.62 H new ATOM 0 HD22 ASN A 33 -3.108 8.270 8.605 1.00 1.62 H new ATOM 462 N ARG A 34 -1.352 9.044 5.380 1.00 0.55 N ATOM 463 CA ARG A 34 -2.035 10.051 4.579 1.00 0.56 C ATOM 464 C ARG A 34 -2.917 9.379 3.537 1.00 0.48 C ATOM 465 O ARG A 34 -3.989 9.879 3.198 1.00 0.48 O ATOM 466 CB ARG A 34 -1.013 10.953 3.892 1.00 0.65 C ATOM 467 CG ARG A 34 -0.646 12.152 4.762 1.00 0.89 C ATOM 468 CD ARG A 34 0.099 13.218 3.965 1.00 1.22 C ATOM 469 NE ARG A 34 -0.752 14.382 3.753 1.00 1.69 N ATOM 470 CZ ARG A 34 -1.010 15.245 4.731 1.00 2.27 C ATOM 471 NH1 ARG A 34 -2.054 15.056 5.526 1.00 2.90 N ATOM 472 NH2 ARG A 34 -0.223 16.296 4.915 1.00 2.78 N ATOM 0 H ARG A 34 -0.334 9.105 5.355 1.00 0.55 H new ATOM 0 HA ARG A 34 -2.660 10.658 5.234 1.00 0.56 H new ATOM 0 HB2 ARG A 34 -0.115 10.379 3.665 1.00 0.65 H new ATOM 0 HB3 ARG A 34 -1.416 11.302 2.942 1.00 0.65 H new ATOM 0 HG2 ARG A 34 -1.552 12.583 5.189 1.00 0.89 H new ATOM 0 HG3 ARG A 34 -0.027 11.821 5.596 1.00 0.89 H new ATOM 0 HD2 ARG A 34 1.003 13.513 4.497 1.00 1.22 H new ATOM 0 HD3 ARG A 34 0.413 12.810 3.004 1.00 1.22 H new ATOM 0 HE ARG A 34 -1.160 14.539 2.831 1.00 1.69 H new ATOM 0 HH11 ARG A 34 -2.661 14.248 5.388 1.00 2.90 H new ATOM 0 HH12 ARG A 34 -2.251 15.719 6.276 1.00 2.90 H new ATOM 0 HH21 ARG A 34 0.582 16.443 4.306 1.00 2.78 H new ATOM 0 HH22 ARG A 34 -0.422 16.957 5.666 1.00 2.78 H new ATOM 486 N ILE A 35 -2.457 8.237 3.035 1.00 0.45 N ATOM 487 CA ILE A 35 -3.200 7.483 2.034 1.00 0.40 C ATOM 488 C ILE A 35 -4.467 6.900 2.646 1.00 0.34 C ATOM 489 O ILE A 35 -5.568 7.134 2.156 1.00 0.34 O ATOM 490 CB ILE A 35 -2.332 6.364 1.470 1.00 0.41 C ATOM 491 CG1 ILE A 35 -0.979 6.911 1.016 1.00 0.54 C ATOM 492 CG2 ILE A 35 -3.037 5.659 0.317 1.00 0.40 C ATOM 493 CD1 ILE A 35 -1.141 8.059 0.025 1.00 1.29 C ATOM 0 H ILE A 35 -1.570 7.813 3.307 1.00 0.45 H new ATOM 0 HA ILE A 35 -3.479 8.158 1.225 1.00 0.40 H new ATOM 0 HB ILE A 35 -2.162 5.635 2.262 1.00 0.41 H new ATOM 0 HG12 ILE A 35 -0.416 7.255 1.883 1.00 0.54 H new ATOM 0 HG13 ILE A 35 -0.399 6.111 0.556 1.00 0.54 H new ATOM 0 HG21 ILE A 35 -2.398 4.865 -0.069 1.00 0.40 H new ATOM 0 HG22 ILE A 35 -3.975 5.231 0.671 1.00 0.40 H new ATOM 0 HG23 ILE A 35 -3.243 6.377 -0.477 1.00 0.40 H new ATOM 0 HD11 ILE A 35 -0.158 8.422 -0.275 1.00 1.29 H new ATOM 0 HD12 ILE A 35 -1.682 7.708 -0.854 1.00 1.29 H new ATOM 0 HD13 ILE A 35 -1.699 8.869 0.495 1.00 1.29 H new ATOM 505 N LYS A 36 -4.302 6.138 3.723 1.00 0.35 N ATOM 506 CA LYS A 36 -5.430 5.516 4.413 1.00 0.36 C ATOM 507 C LYS A 36 -6.566 6.514 4.618 1.00 0.39 C ATOM 508 O LYS A 36 -7.736 6.171 4.471 1.00 0.51 O ATOM 509 CB LYS A 36 -4.977 4.978 5.768 1.00 0.44 C ATOM 510 CG LYS A 36 -3.957 3.852 5.620 1.00 1.09 C ATOM 511 CD LYS A 36 -3.659 3.191 6.963 1.00 1.41 C ATOM 512 CE LYS A 36 -2.364 2.386 6.918 1.00 2.17 C ATOM 513 NZ LYS A 36 -1.638 2.456 8.218 1.00 2.76 N ATOM 0 H LYS A 36 -3.393 5.935 4.139 1.00 0.35 H new ATOM 0 HA LYS A 36 -5.795 4.697 3.794 1.00 0.36 H new ATOM 0 HB2 LYS A 36 -4.542 5.788 6.353 1.00 0.44 H new ATOM 0 HB3 LYS A 36 -5.842 4.614 6.322 1.00 0.44 H new ATOM 0 HG2 LYS A 36 -4.335 3.106 4.921 1.00 1.09 H new ATOM 0 HG3 LYS A 36 -3.035 4.248 5.195 1.00 1.09 H new ATOM 0 HD2 LYS A 36 -3.586 3.955 7.737 1.00 1.41 H new ATOM 0 HD3 LYS A 36 -4.486 2.536 7.238 1.00 1.41 H new ATOM 0 HE2 LYS A 36 -2.588 1.346 6.679 1.00 2.17 H new ATOM 0 HE3 LYS A 36 -1.725 2.766 6.121 1.00 2.17 H new ATOM 0 HZ1 LYS A 36 -0.762 1.899 8.157 1.00 2.76 H new ATOM 0 HZ2 LYS A 36 -1.404 3.447 8.432 1.00 2.76 H new ATOM 0 HZ3 LYS A 36 -2.241 2.071 8.973 1.00 2.76 H new ATOM 527 N ASP A 37 -6.212 7.747 4.965 1.00 0.40 N ATOM 528 CA ASP A 37 -7.205 8.792 5.199 1.00 0.45 C ATOM 529 C ASP A 37 -7.649 9.429 3.888 1.00 0.44 C ATOM 530 O ASP A 37 -8.793 9.863 3.756 1.00 0.60 O ATOM 531 CB ASP A 37 -6.626 9.861 6.121 1.00 0.51 C ATOM 532 CG ASP A 37 -7.738 10.748 6.665 1.00 0.82 C ATOM 533 OD1 ASP A 37 -8.908 10.309 6.655 1.00 1.37 O ATOM 534 OD2 ASP A 37 -7.439 11.879 7.101 1.00 1.56 O ATOM 0 H ASP A 37 -5.246 8.048 5.091 1.00 0.40 H new ATOM 0 HA ASP A 37 -8.075 8.335 5.671 1.00 0.45 H new ATOM 0 HB2 ASP A 37 -6.092 9.389 6.946 1.00 0.51 H new ATOM 0 HB3 ASP A 37 -5.902 10.467 5.577 1.00 0.51 H new ATOM 539 N GLN A 38 -6.740 9.489 2.922 1.00 0.41 N ATOM 540 CA GLN A 38 -7.041 10.080 1.623 1.00 0.46 C ATOM 541 C GLN A 38 -7.801 9.098 0.735 1.00 0.42 C ATOM 542 O GLN A 38 -8.446 9.501 -0.233 1.00 0.68 O ATOM 543 CB GLN A 38 -5.749 10.509 0.935 1.00 0.54 C ATOM 544 CG GLN A 38 -6.029 11.347 -0.308 1.00 0.65 C ATOM 545 CD GLN A 38 -5.021 12.483 -0.419 1.00 1.05 C ATOM 546 OE1 GLN A 38 -3.868 12.347 -0.009 1.00 1.65 O ATOM 547 NE2 GLN A 38 -5.457 13.607 -0.973 1.00 1.66 N ATOM 0 H GLN A 38 -5.788 9.135 3.014 1.00 0.41 H new ATOM 0 HA GLN A 38 -7.673 10.953 1.785 1.00 0.46 H new ATOM 0 HB2 GLN A 38 -5.138 11.083 1.632 1.00 0.54 H new ATOM 0 HB3 GLN A 38 -5.173 9.626 0.658 1.00 0.54 H new ATOM 0 HG2 GLN A 38 -5.978 10.719 -1.197 1.00 0.65 H new ATOM 0 HG3 GLN A 38 -7.040 11.752 -0.261 1.00 0.65 H new ATOM 0 HE21 GLN A 38 -6.421 13.674 -1.299 1.00 1.66 H new ATOM 0 HE22 GLN A 38 -4.828 14.404 -1.073 1.00 1.66 H new ATOM 556 N TYR A 39 -7.723 7.812 1.064 1.00 0.34 N ATOM 557 CA TYR A 39 -8.404 6.782 0.287 1.00 0.34 C ATOM 558 C TYR A 39 -9.213 5.849 1.187 1.00 0.30 C ATOM 559 O TYR A 39 -9.748 4.845 0.717 1.00 0.32 O ATOM 560 CB TYR A 39 -7.382 5.972 -0.507 1.00 0.39 C ATOM 561 CG TYR A 39 -6.653 6.795 -1.540 1.00 0.46 C ATOM 562 CD1 TYR A 39 -5.706 7.725 -1.146 1.00 0.53 C ATOM 563 CD2 TYR A 39 -6.928 6.623 -2.884 1.00 0.64 C ATOM 564 CE1 TYR A 39 -5.038 8.479 -2.095 1.00 0.62 C ATOM 565 CE2 TYR A 39 -6.259 7.377 -3.833 1.00 0.73 C ATOM 566 CZ TYR A 39 -5.316 8.305 -3.431 1.00 0.66 C ATOM 567 OH TYR A 39 -4.654 9.052 -4.377 1.00 0.77 O ATOM 0 H TYR A 39 -7.196 7.459 1.862 1.00 0.34 H new ATOM 0 HA TYR A 39 -9.094 7.277 -0.397 1.00 0.34 H new ATOM 0 HB2 TYR A 39 -6.657 5.537 0.181 1.00 0.39 H new ATOM 0 HB3 TYR A 39 -7.888 5.143 -1.002 1.00 0.39 H new ATOM 0 HD1 TYR A 39 -5.488 7.862 -0.097 1.00 0.53 H new ATOM 0 HD2 TYR A 39 -7.667 5.899 -3.194 1.00 0.64 H new ATOM 0 HE1 TYR A 39 -4.299 9.204 -1.787 1.00 0.62 H new ATOM 0 HE2 TYR A 39 -6.473 7.241 -4.883 1.00 0.73 H new ATOM 0 HH TYR A 39 -4.970 8.802 -5.271 1.00 0.77 H new ATOM 577 N LYS A 40 -9.305 6.171 2.479 1.00 0.28 N ATOM 578 CA LYS A 40 -10.053 5.341 3.418 1.00 0.31 C ATOM 579 C LYS A 40 -9.628 3.884 3.288 1.00 0.29 C ATOM 580 O LYS A 40 -10.467 2.986 3.205 1.00 0.39 O ATOM 581 CB LYS A 40 -11.549 5.468 3.150 1.00 0.38 C ATOM 582 CG LYS A 40 -12.370 5.146 4.396 1.00 0.86 C ATOM 583 CD LYS A 40 -13.700 5.894 4.401 1.00 1.29 C ATOM 584 CE LYS A 40 -13.933 6.615 5.726 1.00 1.88 C ATOM 585 NZ LYS A 40 -15.120 6.066 6.439 1.00 2.56 N ATOM 0 H LYS A 40 -8.873 6.996 2.895 1.00 0.28 H new ATOM 0 HA LYS A 40 -9.841 5.682 4.431 1.00 0.31 H new ATOM 0 HB2 LYS A 40 -11.775 6.481 2.816 1.00 0.38 H new ATOM 0 HB3 LYS A 40 -11.833 4.794 2.342 1.00 0.38 H new ATOM 0 HG2 LYS A 40 -12.555 4.073 4.443 1.00 0.86 H new ATOM 0 HG3 LYS A 40 -11.800 5.410 5.287 1.00 0.86 H new ATOM 0 HD2 LYS A 40 -13.715 6.617 3.585 1.00 1.29 H new ATOM 0 HD3 LYS A 40 -14.514 5.192 4.220 1.00 1.29 H new ATOM 0 HE2 LYS A 40 -13.049 6.516 6.357 1.00 1.88 H new ATOM 0 HE3 LYS A 40 -14.076 7.680 5.543 1.00 1.88 H new ATOM 0 HZ1 LYS A 40 -15.253 6.576 7.336 1.00 2.56 H new ATOM 0 HZ2 LYS A 40 -15.966 6.183 5.846 1.00 2.56 H new ATOM 0 HZ3 LYS A 40 -14.971 5.055 6.634 1.00 2.56 H new ATOM 599 N VAL A 41 -8.319 3.658 3.255 1.00 0.23 N ATOM 600 CA VAL A 41 -7.779 2.312 3.116 1.00 0.23 C ATOM 601 C VAL A 41 -6.751 2.020 4.201 1.00 0.27 C ATOM 602 O VAL A 41 -6.511 2.842 5.084 1.00 0.33 O ATOM 603 CB VAL A 41 -7.132 2.163 1.744 1.00 0.23 C ATOM 604 CG1 VAL A 41 -8.191 2.198 0.647 1.00 0.25 C ATOM 605 CG2 VAL A 41 -6.086 3.255 1.518 1.00 0.23 C ATOM 0 H VAL A 41 -7.613 4.391 3.323 1.00 0.23 H new ATOM 0 HA VAL A 41 -8.597 1.600 3.220 1.00 0.23 H new ATOM 0 HB VAL A 41 -6.629 1.197 1.706 1.00 0.23 H new ATOM 0 HG11 VAL A 41 -7.711 2.090 -0.326 1.00 0.25 H new ATOM 0 HG12 VAL A 41 -8.896 1.381 0.796 1.00 0.25 H new ATOM 0 HG13 VAL A 41 -8.724 3.148 0.686 1.00 0.25 H new ATOM 0 HG21 VAL A 41 -5.637 3.130 0.533 1.00 0.23 H new ATOM 0 HG22 VAL A 41 -6.563 4.233 1.578 1.00 0.23 H new ATOM 0 HG23 VAL A 41 -5.312 3.181 2.282 1.00 0.23 H new ATOM 615 N SER A 42 -6.144 0.840 4.118 1.00 0.29 N ATOM 616 CA SER A 42 -5.132 0.424 5.080 1.00 0.34 C ATOM 617 C SER A 42 -3.892 -0.080 4.353 1.00 0.30 C ATOM 618 O SER A 42 -3.823 -1.243 3.956 1.00 0.36 O ATOM 619 CB SER A 42 -5.685 -0.675 5.980 1.00 0.43 C ATOM 620 OG SER A 42 -5.561 -0.303 7.347 1.00 0.93 O ATOM 0 H SER A 42 -6.338 0.153 3.390 1.00 0.29 H new ATOM 0 HA SER A 42 -4.859 1.283 5.693 1.00 0.34 H new ATOM 0 HB2 SER A 42 -6.732 -0.859 5.740 1.00 0.43 H new ATOM 0 HB3 SER A 42 -5.148 -1.606 5.800 1.00 0.43 H new ATOM 0 HG SER A 42 -5.921 -1.016 7.914 1.00 0.93 H new ATOM 626 N VAL A 43 -2.918 0.806 4.177 1.00 0.33 N ATOM 627 CA VAL A 43 -1.680 0.459 3.494 1.00 0.34 C ATOM 628 C VAL A 43 -0.665 -0.105 4.480 1.00 0.35 C ATOM 629 O VAL A 43 -0.370 0.514 5.502 1.00 0.55 O ATOM 630 CB VAL A 43 -1.103 1.693 2.808 1.00 0.49 C ATOM 631 CG1 VAL A 43 0.160 1.339 2.029 1.00 0.54 C ATOM 632 CG2 VAL A 43 -2.138 2.340 1.895 1.00 1.25 C ATOM 0 H VAL A 43 -2.964 1.773 4.500 1.00 0.33 H new ATOM 0 HA VAL A 43 -1.898 -0.302 2.745 1.00 0.34 H new ATOM 0 HB VAL A 43 -0.835 2.414 3.580 1.00 0.49 H new ATOM 0 HG11 VAL A 43 0.554 2.234 1.548 1.00 0.54 H new ATOM 0 HG12 VAL A 43 0.907 0.935 2.712 1.00 0.54 H new ATOM 0 HG13 VAL A 43 -0.078 0.594 1.270 1.00 0.54 H new ATOM 0 HG21 VAL A 43 -1.703 3.218 1.417 1.00 1.25 H new ATOM 0 HG22 VAL A 43 -2.446 1.626 1.131 1.00 1.25 H new ATOM 0 HG23 VAL A 43 -3.006 2.639 2.483 1.00 1.25 H new ATOM 642 N ARG A 44 -0.134 -1.283 4.170 1.00 0.31 N ATOM 643 CA ARG A 44 0.849 -1.928 5.032 1.00 0.42 C ATOM 644 C ARG A 44 2.138 -2.207 4.267 1.00 0.40 C ATOM 645 O ARG A 44 2.134 -2.915 3.260 1.00 0.41 O ATOM 646 CB ARG A 44 0.284 -3.234 5.586 1.00 0.52 C ATOM 647 CG ARG A 44 -1.123 -3.046 6.145 1.00 0.78 C ATOM 648 CD ARG A 44 -1.100 -2.346 7.502 1.00 1.05 C ATOM 649 NE ARG A 44 -0.316 -3.119 8.461 1.00 1.31 N ATOM 650 CZ ARG A 44 -0.615 -4.380 8.753 1.00 1.74 C ATOM 651 NH1 ARG A 44 -1.832 -4.694 9.175 1.00 2.28 N ATOM 652 NH2 ARG A 44 0.304 -5.328 8.625 1.00 2.27 N ATOM 0 H ARG A 44 -0.368 -1.810 3.329 1.00 0.31 H new ATOM 0 HA ARG A 44 1.074 -1.254 5.858 1.00 0.42 H new ATOM 0 HB2 ARG A 44 0.265 -3.986 4.797 1.00 0.52 H new ATOM 0 HB3 ARG A 44 0.940 -3.611 6.370 1.00 0.52 H new ATOM 0 HG2 ARG A 44 -1.719 -2.462 5.444 1.00 0.78 H new ATOM 0 HG3 ARG A 44 -1.609 -4.017 6.244 1.00 0.78 H new ATOM 0 HD2 ARG A 44 -0.675 -1.348 7.396 1.00 1.05 H new ATOM 0 HD3 ARG A 44 -2.118 -2.222 7.871 1.00 1.05 H new ATOM 0 HE ARG A 44 0.482 -2.679 8.919 1.00 1.31 H new ATOM 0 HH11 ARG A 44 -2.540 -3.967 9.276 1.00 2.28 H new ATOM 0 HH12 ARG A 44 -2.060 -5.663 9.399 1.00 2.28 H new ATOM 0 HH21 ARG A 44 1.242 -5.089 8.302 1.00 2.27 H new ATOM 0 HH22 ARG A 44 0.073 -6.296 8.850 1.00 2.27 H new ATOM 666 N ILE A 45 3.239 -1.648 4.757 1.00 0.46 N ATOM 667 CA ILE A 45 4.543 -1.834 4.129 1.00 0.47 C ATOM 668 C ILE A 45 5.337 -2.899 4.889 1.00 0.53 C ATOM 669 O ILE A 45 5.905 -2.624 5.946 1.00 0.64 O ATOM 670 CB ILE A 45 5.296 -0.495 4.105 1.00 0.56 C ATOM 671 CG1 ILE A 45 4.695 0.430 3.042 1.00 0.59 C ATOM 672 CG2 ILE A 45 6.797 -0.679 3.865 1.00 0.60 C ATOM 673 CD1 ILE A 45 5.089 0.004 1.626 1.00 0.56 C ATOM 0 H ILE A 45 3.255 -1.060 5.590 1.00 0.46 H new ATOM 0 HA ILE A 45 4.413 -2.176 3.102 1.00 0.47 H new ATOM 0 HB ILE A 45 5.181 -0.038 5.088 1.00 0.56 H new ATOM 0 HG12 ILE A 45 3.609 0.429 3.132 1.00 0.59 H new ATOM 0 HG13 ILE A 45 5.029 1.452 3.220 1.00 0.59 H new ATOM 0 HG21 ILE A 45 7.286 0.295 3.856 1.00 0.60 H new ATOM 0 HG22 ILE A 45 7.221 -1.291 4.662 1.00 0.60 H new ATOM 0 HG23 ILE A 45 6.954 -1.172 2.906 1.00 0.60 H new ATOM 0 HD11 ILE A 45 4.642 0.686 0.903 1.00 0.56 H new ATOM 0 HD12 ILE A 45 6.174 0.030 1.527 1.00 0.56 H new ATOM 0 HD13 ILE A 45 4.732 -1.009 1.438 1.00 0.56 H new ATOM 685 N PRO A 46 5.388 -4.134 4.358 1.00 0.48 N ATOM 686 CA PRO A 46 6.122 -5.234 4.999 1.00 0.58 C ATOM 687 C PRO A 46 7.635 -5.060 4.873 1.00 0.61 C ATOM 688 O PRO A 46 8.185 -5.129 3.775 1.00 0.56 O ATOM 689 CB PRO A 46 5.644 -6.472 4.244 1.00 0.57 C ATOM 690 CG PRO A 46 5.203 -5.973 2.910 1.00 0.47 C ATOM 691 CD PRO A 46 4.743 -4.552 3.101 1.00 0.41 C ATOM 0 HA PRO A 46 5.934 -5.289 6.071 1.00 0.58 H new ATOM 0 HB2 PRO A 46 6.444 -7.206 4.145 1.00 0.57 H new ATOM 0 HB3 PRO A 46 4.825 -6.962 4.771 1.00 0.57 H new ATOM 0 HG2 PRO A 46 6.021 -6.020 2.191 1.00 0.47 H new ATOM 0 HG3 PRO A 46 4.396 -6.590 2.515 1.00 0.47 H new ATOM 0 HD2 PRO A 46 5.046 -3.919 2.267 1.00 0.41 H new ATOM 0 HD3 PRO A 46 3.657 -4.490 3.170 1.00 0.41 H new ATOM 699 N PRO A 47 8.332 -4.829 6.002 1.00 0.74 N ATOM 700 CA PRO A 47 9.784 -4.644 6.003 1.00 0.81 C ATOM 701 C PRO A 47 10.533 -5.972 5.969 1.00 0.87 C ATOM 702 O PRO A 47 11.630 -6.061 5.418 1.00 1.53 O ATOM 703 CB PRO A 47 10.044 -3.892 7.304 1.00 0.98 C ATOM 704 CG PRO A 47 8.903 -4.233 8.208 1.00 1.03 C ATOM 705 CD PRO A 47 7.763 -4.729 7.354 1.00 0.85 C ATOM 0 HA PRO A 47 10.135 -4.108 5.121 1.00 0.81 H new ATOM 0 HB2 PRO A 47 10.995 -4.191 7.745 1.00 0.98 H new ATOM 0 HB3 PRO A 47 10.097 -2.817 7.130 1.00 0.98 H new ATOM 0 HG2 PRO A 47 9.201 -4.997 8.926 1.00 1.03 H new ATOM 0 HG3 PRO A 47 8.597 -3.358 8.782 1.00 1.03 H new ATOM 0 HD2 PRO A 47 7.397 -5.695 7.703 1.00 0.85 H new ATOM 0 HD3 PRO A 47 6.919 -4.040 7.379 1.00 0.85 H new ATOM 713 N ASP A 48 9.936 -7.001 6.561 1.00 1.32 N ATOM 714 CA ASP A 48 10.548 -8.324 6.597 1.00 1.46 C ATOM 715 C ASP A 48 10.378 -9.027 5.256 1.00 1.48 C ATOM 716 O ASP A 48 9.715 -10.061 5.166 1.00 2.18 O ATOM 717 CB ASP A 48 9.918 -9.162 7.706 1.00 2.16 C ATOM 718 CG ASP A 48 8.404 -9.203 7.546 1.00 2.56 C ATOM 719 OD1 ASP A 48 7.735 -8.235 7.965 1.00 3.01 O ATOM 720 OD2 ASP A 48 7.890 -10.203 7.003 1.00 3.03 O ATOM 0 H ASP A 48 9.028 -6.944 7.023 1.00 1.32 H new ATOM 0 HA ASP A 48 11.613 -8.208 6.798 1.00 1.46 H new ATOM 0 HB2 ASP A 48 10.320 -10.175 7.679 1.00 2.16 H new ATOM 0 HB3 ASP A 48 10.176 -8.743 8.678 1.00 2.16 H new ATOM 725 N SER A 49 10.979 -8.458 4.216 1.00 1.59 N ATOM 726 CA SER A 49 10.894 -9.029 2.877 1.00 2.11 C ATOM 727 C SER A 49 12.190 -9.746 2.518 1.00 1.90 C ATOM 728 O SER A 49 13.280 -9.193 2.670 1.00 2.33 O ATOM 729 CB SER A 49 10.613 -7.929 1.857 1.00 3.03 C ATOM 730 OG SER A 49 9.900 -8.450 0.746 1.00 3.81 O ATOM 0 H SER A 49 11.530 -7.602 4.275 1.00 1.59 H new ATOM 0 HA SER A 49 10.078 -9.752 2.861 1.00 2.11 H new ATOM 0 HB2 SER A 49 10.037 -7.131 2.324 1.00 3.03 H new ATOM 0 HB3 SER A 49 11.552 -7.489 1.520 1.00 3.03 H new ATOM 0 HG SER A 49 10.360 -8.202 -0.083 1.00 3.81 H new ATOM 736 N GLU A 50 12.064 -10.980 2.042 1.00 1.92 N ATOM 737 CA GLU A 50 13.225 -11.777 1.659 1.00 2.27 C ATOM 738 C GLU A 50 13.255 -11.992 0.151 1.00 2.09 C ATOM 739 O GLU A 50 14.317 -12.214 -0.431 1.00 2.74 O ATOM 740 CB GLU A 50 13.194 -13.126 2.374 1.00 3.06 C ATOM 741 CG GLU A 50 11.783 -13.706 2.428 1.00 3.83 C ATOM 742 CD GLU A 50 10.788 -12.742 1.795 1.00 4.43 C ATOM 743 OE1 GLU A 50 9.601 -12.770 2.185 1.00 4.97 O ATOM 744 OE2 GLU A 50 11.195 -11.960 0.910 1.00 4.75 O ATOM 0 H GLU A 50 11.169 -11.451 1.912 1.00 1.92 H new ATOM 0 HA GLU A 50 14.125 -11.236 1.952 1.00 2.27 H new ATOM 0 HB2 GLU A 50 13.855 -13.825 1.861 1.00 3.06 H new ATOM 0 HB3 GLU A 50 13.578 -13.009 3.387 1.00 3.06 H new ATOM 0 HG2 GLU A 50 11.756 -14.662 1.905 1.00 3.83 H new ATOM 0 HG3 GLU A 50 11.502 -13.901 3.463 1.00 3.83 H new ATOM 751 N LYS A 51 12.086 -11.927 -0.478 1.00 1.76 N ATOM 752 CA LYS A 51 11.981 -12.117 -1.920 1.00 1.77 C ATOM 753 C LYS A 51 10.751 -11.402 -2.466 1.00 1.55 C ATOM 754 O LYS A 51 9.618 -11.788 -2.178 1.00 2.20 O ATOM 755 CB LYS A 51 11.899 -13.605 -2.244 1.00 2.14 C ATOM 756 CG LYS A 51 10.733 -14.272 -1.518 1.00 2.60 C ATOM 757 CD LYS A 51 10.939 -15.778 -1.387 1.00 3.36 C ATOM 758 CE LYS A 51 12.082 -16.107 -0.432 1.00 4.12 C ATOM 759 NZ LYS A 51 13.032 -17.078 -1.041 1.00 4.81 N ATOM 0 H LYS A 51 11.198 -11.744 -0.011 1.00 1.76 H new ATOM 0 HA LYS A 51 12.869 -11.694 -2.390 1.00 1.77 H new ATOM 0 HB2 LYS A 51 11.784 -13.738 -3.320 1.00 2.14 H new ATOM 0 HB3 LYS A 51 12.832 -14.092 -1.961 1.00 2.14 H new ATOM 0 HG2 LYS A 51 10.622 -13.832 -0.527 1.00 2.60 H new ATOM 0 HG3 LYS A 51 9.807 -14.077 -2.059 1.00 2.60 H new ATOM 0 HD2 LYS A 51 10.020 -16.242 -1.029 1.00 3.36 H new ATOM 0 HD3 LYS A 51 11.150 -16.204 -2.368 1.00 3.36 H new ATOM 0 HE2 LYS A 51 12.613 -15.192 -0.168 1.00 4.12 H new ATOM 0 HE3 LYS A 51 11.679 -16.520 0.493 1.00 4.12 H new ATOM 0 HZ1 LYS A 51 13.798 -17.282 -0.368 1.00 4.81 H new ATOM 0 HZ2 LYS A 51 12.529 -17.959 -1.271 1.00 4.81 H new ATOM 0 HZ3 LYS A 51 13.434 -16.672 -1.910 1.00 4.81 H new ATOM 773 N SER A 52 10.980 -10.356 -3.253 1.00 1.19 N ATOM 774 CA SER A 52 9.890 -9.587 -3.840 1.00 1.04 C ATOM 775 C SER A 52 9.064 -8.915 -2.750 1.00 0.92 C ATOM 776 O SER A 52 8.344 -9.579 -2.004 1.00 1.19 O ATOM 777 CB SER A 52 8.998 -10.500 -4.677 1.00 1.25 C ATOM 778 OG SER A 52 8.004 -11.105 -3.865 1.00 2.03 O ATOM 0 H SER A 52 11.912 -10.022 -3.499 1.00 1.19 H new ATOM 0 HA SER A 52 10.316 -8.816 -4.482 1.00 1.04 H new ATOM 0 HB2 SER A 52 8.525 -9.925 -5.473 1.00 1.25 H new ATOM 0 HB3 SER A 52 9.603 -11.270 -5.156 1.00 1.25 H new ATOM 0 HG SER A 52 8.284 -11.073 -2.926 1.00 2.03 H new ATOM 784 N ASN A 53 9.175 -7.593 -2.661 1.00 0.68 N ATOM 785 CA ASN A 53 8.439 -6.826 -1.659 1.00 0.61 C ATOM 786 C ASN A 53 6.990 -6.645 -2.089 1.00 0.59 C ATOM 787 O ASN A 53 6.645 -5.662 -2.745 1.00 0.99 O ATOM 788 CB ASN A 53 9.086 -5.457 -1.451 1.00 0.60 C ATOM 789 CG ASN A 53 10.608 -5.568 -1.475 1.00 0.89 C ATOM 790 OD1 ASN A 53 11.201 -5.882 -2.507 1.00 1.68 O ATOM 791 ND2 ASN A 53 11.238 -5.312 -0.335 1.00 1.28 N ATOM 0 H ASN A 53 9.768 -7.029 -3.271 1.00 0.68 H new ATOM 0 HA ASN A 53 8.467 -7.378 -0.720 1.00 0.61 H new ATOM 0 HB2 ASN A 53 8.755 -4.771 -2.230 1.00 0.60 H new ATOM 0 HB3 ASN A 53 8.762 -5.038 -0.498 1.00 0.60 H new ATOM 0 HD21 ASN A 53 12.255 -5.372 -0.290 1.00 1.28 H new ATOM 0 HD22 ASN A 53 10.705 -5.055 0.496 1.00 1.28 H new ATOM 798 N LEU A 54 6.146 -7.597 -1.714 1.00 0.55 N ATOM 799 CA LEU A 54 4.730 -7.543 -2.057 1.00 0.51 C ATOM 800 C LEU A 54 3.962 -6.753 -1.008 1.00 0.44 C ATOM 801 O LEU A 54 3.492 -7.314 -0.017 1.00 0.57 O ATOM 802 CB LEU A 54 4.164 -8.956 -2.157 1.00 0.65 C ATOM 803 CG LEU A 54 3.984 -9.391 -3.608 1.00 0.82 C ATOM 804 CD1 LEU A 54 3.603 -10.867 -3.684 1.00 1.49 C ATOM 805 CD2 LEU A 54 2.936 -8.527 -4.304 1.00 1.49 C ATOM 0 H LEU A 54 6.417 -8.417 -1.172 1.00 0.55 H new ATOM 0 HA LEU A 54 4.623 -7.045 -3.021 1.00 0.51 H new ATOM 0 HB2 LEU A 54 4.831 -9.652 -1.649 1.00 0.65 H new ATOM 0 HB3 LEU A 54 3.204 -9.001 -1.642 1.00 0.65 H new ATOM 0 HG LEU A 54 4.934 -9.257 -4.125 1.00 0.82 H new ATOM 0 HD11 LEU A 54 3.479 -11.158 -4.727 1.00 1.49 H new ATOM 0 HD12 LEU A 54 4.390 -11.470 -3.230 1.00 1.49 H new ATOM 0 HD13 LEU A 54 2.667 -11.029 -3.149 1.00 1.49 H new ATOM 0 HD21 LEU A 54 2.823 -8.854 -5.338 1.00 1.49 H new ATOM 0 HD22 LEU A 54 1.982 -8.625 -3.786 1.00 1.49 H new ATOM 0 HD23 LEU A 54 3.254 -7.484 -4.286 1.00 1.49 H new ATOM 817 N ILE A 55 3.832 -5.447 -1.225 1.00 0.31 N ATOM 818 CA ILE A 55 3.115 -4.591 -0.288 1.00 0.26 C ATOM 819 C ILE A 55 1.703 -5.115 -0.083 1.00 0.27 C ATOM 820 O ILE A 55 1.182 -5.858 -0.914 1.00 0.34 O ATOM 821 CB ILE A 55 3.072 -3.156 -0.804 1.00 0.27 C ATOM 822 CG1 ILE A 55 4.487 -2.628 -1.034 1.00 0.31 C ATOM 823 CG2 ILE A 55 2.310 -2.256 0.164 1.00 0.31 C ATOM 824 CD1 ILE A 55 4.479 -1.160 -1.452 1.00 0.35 C ATOM 0 H ILE A 55 4.212 -4.961 -2.037 1.00 0.31 H new ATOM 0 HA ILE A 55 3.640 -4.601 0.667 1.00 0.26 H new ATOM 0 HB ILE A 55 2.544 -3.150 -1.758 1.00 0.27 H new ATOM 0 HG12 ILE A 55 5.072 -2.744 -0.121 1.00 0.31 H new ATOM 0 HG13 ILE A 55 4.977 -3.223 -1.804 1.00 0.31 H new ATOM 0 HG21 ILE A 55 2.292 -1.237 -0.224 1.00 0.31 H new ATOM 0 HG22 ILE A 55 1.289 -2.621 0.273 1.00 0.31 H new ATOM 0 HG23 ILE A 55 2.804 -2.266 1.135 1.00 0.31 H new ATOM 0 HD11 ILE A 55 5.503 -0.820 -1.606 1.00 0.35 H new ATOM 0 HD12 ILE A 55 3.916 -1.049 -2.379 1.00 0.35 H new ATOM 0 HD13 ILE A 55 4.012 -0.561 -0.670 1.00 0.35 H new ATOM 836 N ARG A 56 1.090 -4.734 1.031 1.00 0.29 N ATOM 837 CA ARG A 56 -0.260 -5.183 1.343 1.00 0.32 C ATOM 838 C ARG A 56 -1.220 -4.006 1.442 1.00 0.29 C ATOM 839 O ARG A 56 -1.068 -3.133 2.296 1.00 0.42 O ATOM 840 CB ARG A 56 -0.257 -5.964 2.654 1.00 0.42 C ATOM 841 CG ARG A 56 0.558 -7.249 2.537 1.00 0.55 C ATOM 842 CD ARG A 56 1.884 -7.143 3.285 1.00 0.84 C ATOM 843 NE ARG A 56 2.773 -8.231 2.893 1.00 1.44 N ATOM 844 CZ ARG A 56 2.876 -9.341 3.615 1.00 1.77 C ATOM 845 NH1 ARG A 56 1.871 -10.207 3.648 1.00 2.33 N ATOM 846 NH2 ARG A 56 3.981 -9.589 4.302 1.00 2.19 N ATOM 0 H ARG A 56 1.504 -4.118 1.730 1.00 0.29 H new ATOM 0 HA ARG A 56 -0.599 -5.831 0.535 1.00 0.32 H new ATOM 0 HB2 ARG A 56 0.155 -5.342 3.449 1.00 0.42 H new ATOM 0 HB3 ARG A 56 -1.281 -6.206 2.937 1.00 0.42 H new ATOM 0 HG2 ARG A 56 -0.019 -8.084 2.935 1.00 0.55 H new ATOM 0 HG3 ARG A 56 0.749 -7.465 1.486 1.00 0.55 H new ATOM 0 HD2 ARG A 56 2.355 -6.184 3.070 1.00 0.84 H new ATOM 0 HD3 ARG A 56 1.707 -7.178 4.360 1.00 0.84 H new ATOM 0 HE ARG A 56 3.329 -8.137 2.043 1.00 1.44 H new ATOM 0 HH11 ARG A 56 1.019 -10.020 3.119 1.00 2.33 H new ATOM 0 HH12 ARG A 56 1.950 -11.059 4.203 1.00 2.33 H new ATOM 0 HH21 ARG A 56 4.756 -8.927 4.278 1.00 2.19 H new ATOM 0 HH22 ARG A 56 4.057 -10.442 4.855 1.00 2.19 H new ATOM 860 N ILE A 57 -2.218 -3.997 0.564 1.00 0.24 N ATOM 861 CA ILE A 57 -3.221 -2.940 0.544 1.00 0.24 C ATOM 862 C ILE A 57 -4.606 -3.535 0.752 1.00 0.26 C ATOM 863 O ILE A 57 -5.004 -4.460 0.045 1.00 0.40 O ATOM 864 CB ILE A 57 -3.173 -2.197 -0.785 1.00 0.26 C ATOM 865 CG1 ILE A 57 -1.746 -1.759 -1.108 1.00 0.28 C ATOM 866 CG2 ILE A 57 -4.114 -0.997 -0.767 1.00 0.35 C ATOM 867 CD1 ILE A 57 -1.172 -0.865 -0.012 1.00 1.32 C ATOM 0 H ILE A 57 -2.353 -4.716 -0.147 1.00 0.24 H new ATOM 0 HA ILE A 57 -3.008 -2.238 1.350 1.00 0.24 H new ATOM 0 HB ILE A 57 -3.506 -2.879 -1.568 1.00 0.26 H new ATOM 0 HG12 ILE A 57 -1.113 -2.638 -1.230 1.00 0.28 H new ATOM 0 HG13 ILE A 57 -1.735 -1.224 -2.058 1.00 0.28 H new ATOM 0 HG21 ILE A 57 -4.064 -0.481 -1.726 1.00 0.35 H new ATOM 0 HG22 ILE A 57 -5.134 -1.337 -0.591 1.00 0.35 H new ATOM 0 HG23 ILE A 57 -3.817 -0.314 0.029 1.00 0.35 H new ATOM 0 HD11 ILE A 57 -0.156 -0.573 -0.276 1.00 1.32 H new ATOM 0 HD12 ILE A 57 -1.791 0.027 0.091 1.00 1.32 H new ATOM 0 HD13 ILE A 57 -1.159 -1.409 0.932 1.00 1.32 H new ATOM 879 N GLU A 58 -5.336 -3.012 1.730 1.00 0.23 N ATOM 880 CA GLU A 58 -6.675 -3.508 2.024 1.00 0.25 C ATOM 881 C GLU A 58 -7.594 -2.373 2.447 1.00 0.24 C ATOM 882 O GLU A 58 -7.193 -1.466 3.178 1.00 0.26 O ATOM 883 CB GLU A 58 -6.601 -4.568 3.125 1.00 0.32 C ATOM 884 CG GLU A 58 -7.987 -5.013 3.590 1.00 0.37 C ATOM 885 CD GLU A 58 -8.192 -4.657 5.056 1.00 0.82 C ATOM 886 OE1 GLU A 58 -7.188 -4.586 5.797 1.00 1.47 O ATOM 887 OE2 GLU A 58 -9.354 -4.449 5.462 1.00 1.56 O ATOM 0 H GLU A 58 -5.025 -2.248 2.330 1.00 0.23 H new ATOM 0 HA GLU A 58 -7.087 -3.956 1.119 1.00 0.25 H new ATOM 0 HB2 GLU A 58 -6.047 -5.432 2.758 1.00 0.32 H new ATOM 0 HB3 GLU A 58 -6.045 -4.170 3.974 1.00 0.32 H new ATOM 0 HG2 GLU A 58 -8.754 -4.533 2.982 1.00 0.37 H new ATOM 0 HG3 GLU A 58 -8.097 -6.089 3.451 1.00 0.37 H new ATOM 894 N GLY A 59 -8.833 -2.439 1.978 1.00 0.25 N ATOM 895 CA GLY A 59 -9.837 -1.434 2.290 1.00 0.27 C ATOM 896 C GLY A 59 -11.226 -1.995 2.038 1.00 0.39 C ATOM 897 O GLY A 59 -11.577 -3.057 2.555 1.00 0.59 O ATOM 0 H GLY A 59 -9.168 -3.188 1.373 1.00 0.25 H new ATOM 0 HA2 GLY A 59 -9.744 -1.125 3.331 1.00 0.27 H new ATOM 0 HA3 GLY A 59 -9.678 -0.546 1.678 1.00 0.27 H new ATOM 901 N ASP A 60 -12.013 -1.296 1.230 1.00 0.53 N ATOM 902 CA ASP A 60 -13.358 -1.757 0.914 1.00 0.70 C ATOM 903 C ASP A 60 -13.895 -1.080 -0.338 1.00 0.59 C ATOM 904 O ASP A 60 -14.121 -1.735 -1.356 1.00 1.04 O ATOM 905 CB ASP A 60 -14.298 -1.503 2.088 1.00 1.22 C ATOM 906 CG ASP A 60 -14.732 -2.822 2.714 1.00 1.93 C ATOM 907 OD1 ASP A 60 -15.761 -3.378 2.279 1.00 2.31 O ATOM 908 OD2 ASP A 60 -14.041 -3.296 3.641 1.00 2.66 O ATOM 0 H ASP A 60 -11.747 -0.417 0.786 1.00 0.53 H new ATOM 0 HA ASP A 60 -13.305 -2.829 0.725 1.00 0.70 H new ATOM 0 HB2 ASP A 60 -13.799 -0.885 2.835 1.00 1.22 H new ATOM 0 HB3 ASP A 60 -15.173 -0.949 1.749 1.00 1.22 H new ATOM 913 N PRO A 61 -14.115 0.243 -0.288 1.00 0.72 N ATOM 914 CA PRO A 61 -14.635 0.984 -1.439 1.00 1.14 C ATOM 915 C PRO A 61 -13.585 1.135 -2.530 1.00 0.88 C ATOM 916 O PRO A 61 -12.544 0.480 -2.497 1.00 1.22 O ATOM 917 CB PRO A 61 -15.026 2.335 -0.849 1.00 1.82 C ATOM 918 CG PRO A 61 -14.168 2.497 0.360 1.00 1.82 C ATOM 919 CD PRO A 61 -13.878 1.115 0.879 1.00 1.17 C ATOM 0 HA PRO A 61 -15.470 0.477 -1.922 1.00 1.14 H new ATOM 0 HB2 PRO A 61 -14.856 3.141 -1.563 1.00 1.82 H new ATOM 0 HB3 PRO A 61 -16.084 2.359 -0.587 1.00 1.82 H new ATOM 0 HG2 PRO A 61 -13.243 3.018 0.110 1.00 1.82 H new ATOM 0 HG3 PRO A 61 -14.676 3.095 1.117 1.00 1.82 H new ATOM 0 HD2 PRO A 61 -12.853 1.030 1.240 1.00 1.17 H new ATOM 0 HD3 PRO A 61 -14.532 0.855 1.712 1.00 1.17 H new ATOM 927 N GLN A 62 -13.858 2.005 -3.493 1.00 0.64 N ATOM 928 CA GLN A 62 -12.930 2.244 -4.590 1.00 0.47 C ATOM 929 C GLN A 62 -11.571 2.702 -4.062 1.00 0.41 C ATOM 930 O GLN A 62 -10.567 2.634 -4.769 1.00 0.47 O ATOM 931 CB GLN A 62 -13.501 3.302 -5.530 1.00 0.69 C ATOM 932 CG GLN A 62 -14.019 2.683 -6.825 1.00 0.85 C ATOM 933 CD GLN A 62 -14.246 3.765 -7.874 1.00 1.34 C ATOM 934 OE1 GLN A 62 -13.661 3.727 -8.955 1.00 2.14 O ATOM 935 NE2 GLN A 62 -15.099 4.731 -7.552 1.00 1.73 N ATOM 0 H GLN A 62 -14.715 2.557 -3.537 1.00 0.64 H new ATOM 0 HA GLN A 62 -12.792 1.310 -5.134 1.00 0.47 H new ATOM 0 HB2 GLN A 62 -14.311 3.834 -5.031 1.00 0.69 H new ATOM 0 HB3 GLN A 62 -12.731 4.038 -5.761 1.00 0.69 H new ATOM 0 HG2 GLN A 62 -13.303 1.950 -7.198 1.00 0.85 H new ATOM 0 HG3 GLN A 62 -14.951 2.150 -6.634 1.00 0.85 H new ATOM 0 HE21 GLN A 62 -15.561 4.721 -6.643 1.00 1.73 H new ATOM 0 HE22 GLN A 62 -15.292 5.483 -8.214 1.00 1.73 H new ATOM 944 N GLY A 63 -11.550 3.184 -2.820 1.00 0.37 N ATOM 945 CA GLY A 63 -10.325 3.672 -2.197 1.00 0.34 C ATOM 946 C GLY A 63 -9.203 2.637 -2.213 1.00 0.27 C ATOM 947 O GLY A 63 -8.056 2.973 -2.507 1.00 0.29 O ATOM 0 H GLY A 63 -12.375 3.246 -2.223 1.00 0.37 H new ATOM 0 HA2 GLY A 63 -9.992 4.571 -2.716 1.00 0.34 H new ATOM 0 HA3 GLY A 63 -10.535 3.958 -1.166 1.00 0.34 H new ATOM 951 N VAL A 64 -9.517 1.388 -1.873 1.00 0.24 N ATOM 952 CA VAL A 64 -8.495 0.345 -1.833 1.00 0.21 C ATOM 953 C VAL A 64 -7.977 0.016 -3.232 1.00 0.24 C ATOM 954 O VAL A 64 -6.768 -0.075 -3.444 1.00 0.28 O ATOM 955 CB VAL A 64 -9.020 -0.913 -1.117 1.00 0.24 C ATOM 956 CG1 VAL A 64 -9.831 -1.821 -2.039 1.00 0.30 C ATOM 957 CG2 VAL A 64 -7.855 -1.685 -0.509 1.00 0.26 C ATOM 0 H VAL A 64 -10.456 1.077 -1.625 1.00 0.24 H new ATOM 0 HA VAL A 64 -7.652 0.728 -1.258 1.00 0.21 H new ATOM 0 HB VAL A 64 -9.695 -0.579 -0.329 1.00 0.24 H new ATOM 0 HG11 VAL A 64 -10.176 -2.692 -1.481 1.00 0.30 H new ATOM 0 HG12 VAL A 64 -10.691 -1.273 -2.425 1.00 0.30 H new ATOM 0 HG13 VAL A 64 -9.206 -2.147 -2.870 1.00 0.30 H new ATOM 0 HG21 VAL A 64 -8.232 -2.574 -0.004 1.00 0.26 H new ATOM 0 HG22 VAL A 64 -7.164 -1.982 -1.298 1.00 0.26 H new ATOM 0 HG23 VAL A 64 -7.335 -1.052 0.210 1.00 0.26 H new ATOM 967 N GLN A 65 -8.887 -0.163 -4.184 1.00 0.25 N ATOM 968 CA GLN A 65 -8.494 -0.481 -5.553 1.00 0.30 C ATOM 969 C GLN A 65 -7.784 0.705 -6.192 1.00 0.30 C ATOM 970 O GLN A 65 -6.867 0.533 -6.995 1.00 0.34 O ATOM 971 CB GLN A 65 -9.717 -0.870 -6.378 1.00 0.37 C ATOM 972 CG GLN A 65 -10.639 0.322 -6.620 1.00 0.42 C ATOM 973 CD GLN A 65 -11.695 -0.032 -7.658 1.00 0.78 C ATOM 974 OE1 GLN A 65 -12.436 -1.001 -7.500 1.00 1.56 O ATOM 975 NE2 GLN A 65 -11.764 0.757 -8.725 1.00 0.82 N ATOM 0 H GLN A 65 -9.894 -0.094 -4.035 1.00 0.25 H new ATOM 0 HA GLN A 65 -7.805 -1.326 -5.528 1.00 0.30 H new ATOM 0 HB2 GLN A 65 -9.395 -1.280 -7.335 1.00 0.37 H new ATOM 0 HB3 GLN A 65 -10.268 -1.657 -5.863 1.00 0.37 H new ATOM 0 HG2 GLN A 65 -11.120 0.614 -5.687 1.00 0.42 H new ATOM 0 HG3 GLN A 65 -10.057 1.178 -6.960 1.00 0.42 H new ATOM 0 HE21 GLN A 65 -11.129 1.550 -8.815 1.00 0.82 H new ATOM 0 HE22 GLN A 65 -12.452 0.569 -9.454 1.00 0.82 H new ATOM 984 N GLN A 66 -8.207 1.911 -5.827 1.00 0.29 N ATOM 985 CA GLN A 66 -7.605 3.125 -6.362 1.00 0.31 C ATOM 986 C GLN A 66 -6.220 3.335 -5.766 1.00 0.29 C ATOM 987 O GLN A 66 -5.250 3.550 -6.491 1.00 0.36 O ATOM 988 CB GLN A 66 -8.490 4.328 -6.058 1.00 0.35 C ATOM 989 CG GLN A 66 -8.090 5.538 -6.896 1.00 0.79 C ATOM 990 CD GLN A 66 -9.317 6.367 -7.250 1.00 1.10 C ATOM 991 OE1 GLN A 66 -9.490 7.482 -6.759 1.00 2.03 O ATOM 992 NE2 GLN A 66 -10.173 5.822 -8.108 1.00 1.31 N ATOM 0 H GLN A 66 -8.964 2.073 -5.163 1.00 0.29 H new ATOM 0 HA GLN A 66 -7.510 3.019 -7.443 1.00 0.31 H new ATOM 0 HB2 GLN A 66 -9.532 4.075 -6.256 1.00 0.35 H new ATOM 0 HB3 GLN A 66 -8.418 4.577 -4.999 1.00 0.35 H new ATOM 0 HG2 GLN A 66 -7.376 6.150 -6.345 1.00 0.79 H new ATOM 0 HG3 GLN A 66 -7.591 5.208 -7.807 1.00 0.79 H new ATOM 0 HE21 GLN A 66 -9.990 4.894 -8.491 1.00 1.31 H new ATOM 0 HE22 GLN A 66 -11.013 6.331 -8.384 1.00 1.31 H new ATOM 1001 N ALA A 67 -6.134 3.263 -4.442 1.00 0.26 N ATOM 1002 CA ALA A 67 -4.864 3.438 -3.749 1.00 0.27 C ATOM 1003 C ALA A 67 -3.903 2.321 -4.134 1.00 0.26 C ATOM 1004 O ALA A 67 -2.688 2.515 -4.165 1.00 0.30 O ATOM 1005 CB ALA A 67 -5.084 3.441 -2.239 1.00 0.29 C ATOM 0 H ALA A 67 -6.929 3.085 -3.828 1.00 0.26 H new ATOM 0 HA ALA A 67 -4.432 4.395 -4.042 1.00 0.27 H new ATOM 0 HB1 ALA A 67 -4.128 3.572 -1.732 1.00 0.29 H new ATOM 0 HB2 ALA A 67 -5.753 4.259 -1.970 1.00 0.29 H new ATOM 0 HB3 ALA A 67 -5.529 2.494 -1.934 1.00 0.29 H new ATOM 1011 N LYS A 68 -4.462 1.153 -4.435 1.00 0.25 N ATOM 1012 CA LYS A 68 -3.664 -0.002 -4.830 1.00 0.28 C ATOM 1013 C LYS A 68 -2.921 0.295 -6.127 1.00 0.31 C ATOM 1014 O LYS A 68 -1.695 0.207 -6.185 1.00 0.44 O ATOM 1015 CB LYS A 68 -4.569 -1.220 -5.006 1.00 0.32 C ATOM 1016 CG LYS A 68 -3.807 -2.422 -5.562 1.00 0.37 C ATOM 1017 CD LYS A 68 -4.438 -2.935 -6.854 1.00 0.43 C ATOM 1018 CE LYS A 68 -3.420 -3.665 -7.725 1.00 0.57 C ATOM 1019 NZ LYS A 68 -3.761 -3.548 -9.170 1.00 0.88 N ATOM 0 H LYS A 68 -5.467 0.981 -4.413 1.00 0.25 H new ATOM 0 HA LYS A 68 -2.933 -0.215 -4.050 1.00 0.28 H new ATOM 0 HB2 LYS A 68 -5.013 -1.484 -4.046 1.00 0.32 H new ATOM 0 HB3 LYS A 68 -5.390 -0.968 -5.678 1.00 0.32 H new ATOM 0 HG2 LYS A 68 -2.770 -2.142 -5.748 1.00 0.37 H new ATOM 0 HG3 LYS A 68 -3.794 -3.221 -4.820 1.00 0.37 H new ATOM 0 HD2 LYS A 68 -5.262 -3.607 -6.615 1.00 0.43 H new ATOM 0 HD3 LYS A 68 -4.860 -2.098 -7.411 1.00 0.43 H new ATOM 0 HE2 LYS A 68 -2.426 -3.253 -7.549 1.00 0.57 H new ATOM 0 HE3 LYS A 68 -3.384 -4.717 -7.442 1.00 0.57 H new ATOM 0 HZ1 LYS A 68 -3.051 -4.054 -9.736 1.00 0.88 H new ATOM 0 HZ2 LYS A 68 -4.699 -3.963 -9.340 1.00 0.88 H new ATOM 0 HZ3 LYS A 68 -3.771 -2.545 -9.444 1.00 0.88 H new ATOM 1033 N ARG A 69 -3.673 0.653 -7.162 1.00 0.36 N ATOM 1034 CA ARG A 69 -3.096 0.970 -8.457 1.00 0.43 C ATOM 1035 C ARG A 69 -2.267 2.245 -8.369 1.00 0.42 C ATOM 1036 O ARG A 69 -1.164 2.320 -8.911 1.00 0.46 O ATOM 1037 CB ARG A 69 -4.210 1.144 -9.482 1.00 0.50 C ATOM 1038 CG ARG A 69 -3.660 1.226 -10.899 1.00 1.02 C ATOM 1039 CD ARG A 69 -4.773 1.415 -11.926 1.00 1.36 C ATOM 1040 NE ARG A 69 -4.295 1.085 -13.263 1.00 1.81 N ATOM 1041 CZ ARG A 69 -4.993 0.304 -14.082 1.00 2.35 C ATOM 1042 NH1 ARG A 69 -6.216 0.653 -14.453 1.00 2.76 N ATOM 1043 NH2 ARG A 69 -4.465 -0.827 -14.530 1.00 2.98 N ATOM 0 H ARG A 69 -4.689 0.730 -7.125 1.00 0.36 H new ATOM 0 HA ARG A 69 -2.444 0.152 -8.765 1.00 0.43 H new ATOM 0 HB2 ARG A 69 -4.906 0.308 -9.409 1.00 0.50 H new ATOM 0 HB3 ARG A 69 -4.774 2.049 -9.257 1.00 0.50 H new ATOM 0 HG2 ARG A 69 -2.956 2.055 -10.969 1.00 1.02 H new ATOM 0 HG3 ARG A 69 -3.105 0.316 -11.127 1.00 1.02 H new ATOM 0 HD2 ARG A 69 -5.623 0.782 -11.671 1.00 1.36 H new ATOM 0 HD3 ARG A 69 -5.125 2.446 -11.904 1.00 1.36 H new ATOM 0 HE ARG A 69 -3.402 1.463 -13.578 1.00 1.81 H new ATOM 0 HH11 ARG A 69 -6.624 1.523 -14.110 1.00 2.76 H new ATOM 0 HH12 ARG A 69 -6.749 0.052 -15.081 1.00 2.76 H new ATOM 0 HH21 ARG A 69 -3.523 -1.098 -14.246 1.00 2.98 H new ATOM 0 HH22 ARG A 69 -5.000 -1.426 -15.158 1.00 2.98 H new ATOM 1057 N GLU A 70 -2.805 3.244 -7.677 1.00 0.40 N ATOM 1058 CA GLU A 70 -2.120 4.520 -7.507 1.00 0.43 C ATOM 1059 C GLU A 70 -0.749 4.307 -6.877 1.00 0.44 C ATOM 1060 O GLU A 70 0.195 5.045 -7.157 1.00 0.56 O ATOM 1061 CB GLU A 70 -2.957 5.446 -6.628 1.00 0.44 C ATOM 1062 CG GLU A 70 -2.494 6.896 -6.735 1.00 0.59 C ATOM 1063 CD GLU A 70 -3.182 7.588 -7.904 1.00 0.82 C ATOM 1064 OE1 GLU A 70 -3.404 6.926 -8.940 1.00 1.50 O ATOM 1065 OE2 GLU A 70 -3.498 8.790 -7.783 1.00 1.38 O ATOM 0 H GLU A 70 -3.717 3.194 -7.223 1.00 0.40 H new ATOM 0 HA GLU A 70 -1.987 4.978 -8.487 1.00 0.43 H new ATOM 0 HB2 GLU A 70 -4.005 5.376 -6.920 1.00 0.44 H new ATOM 0 HB3 GLU A 70 -2.893 5.119 -5.590 1.00 0.44 H new ATOM 0 HG2 GLU A 70 -2.717 7.425 -5.808 1.00 0.59 H new ATOM 0 HG3 GLU A 70 -1.413 6.930 -6.869 1.00 0.59 H new ATOM 1072 N LEU A 71 -0.648 3.294 -6.022 1.00 0.40 N ATOM 1073 CA LEU A 71 0.606 2.979 -5.350 1.00 0.47 C ATOM 1074 C LEU A 71 1.563 2.274 -6.303 1.00 0.52 C ATOM 1075 O LEU A 71 2.731 2.647 -6.415 1.00 0.60 O ATOM 1076 CB LEU A 71 0.340 2.094 -4.136 1.00 0.51 C ATOM 1077 CG LEU A 71 0.032 2.921 -2.892 1.00 0.78 C ATOM 1078 CD1 LEU A 71 -0.739 2.093 -1.868 1.00 1.08 C ATOM 1079 CD2 LEU A 71 1.318 3.473 -2.282 1.00 1.15 C ATOM 0 H LEU A 71 -1.422 2.676 -5.778 1.00 0.40 H new ATOM 0 HA LEU A 71 1.065 3.912 -5.022 1.00 0.47 H new ATOM 0 HB2 LEU A 71 -0.497 1.429 -4.347 1.00 0.51 H new ATOM 0 HB3 LEU A 71 1.209 1.463 -3.948 1.00 0.51 H new ATOM 0 HG LEU A 71 -0.595 3.762 -3.189 1.00 0.78 H new ATOM 0 HD11 LEU A 71 -0.948 2.703 -0.989 1.00 1.08 H new ATOM 0 HD12 LEU A 71 -1.678 1.755 -2.306 1.00 1.08 H new ATOM 0 HD13 LEU A 71 -0.143 1.228 -1.576 1.00 1.08 H new ATOM 0 HD21 LEU A 71 1.077 4.060 -1.396 1.00 1.15 H new ATOM 0 HD22 LEU A 71 1.972 2.647 -2.004 1.00 1.15 H new ATOM 0 HD23 LEU A 71 1.824 4.107 -3.011 1.00 1.15 H new ATOM 1091 N LEU A 72 1.063 1.250 -6.985 1.00 0.52 N ATOM 1092 CA LEU A 72 1.872 0.488 -7.928 1.00 0.63 C ATOM 1093 C LEU A 72 2.500 1.407 -8.969 1.00 0.67 C ATOM 1094 O LEU A 72 3.583 1.127 -9.485 1.00 0.83 O ATOM 1095 CB LEU A 72 1.010 -0.562 -8.622 1.00 0.66 C ATOM 1096 CG LEU A 72 1.741 -1.895 -8.754 1.00 0.88 C ATOM 1097 CD1 LEU A 72 0.807 -2.968 -9.307 1.00 1.04 C ATOM 1098 CD2 LEU A 72 2.977 -1.750 -9.638 1.00 1.99 C ATOM 0 H LEU A 72 0.099 0.928 -6.902 1.00 0.52 H new ATOM 0 HA LEU A 72 2.671 -0.006 -7.374 1.00 0.63 H new ATOM 0 HB2 LEU A 72 0.088 -0.707 -8.058 1.00 0.66 H new ATOM 0 HB3 LEU A 72 0.726 -0.203 -9.611 1.00 0.66 H new ATOM 0 HG LEU A 72 2.068 -2.203 -7.761 1.00 0.88 H new ATOM 0 HD11 LEU A 72 1.347 -3.911 -9.394 1.00 1.04 H new ATOM 0 HD12 LEU A 72 -0.040 -3.096 -8.633 1.00 1.04 H new ATOM 0 HD13 LEU A 72 0.446 -2.665 -10.290 1.00 1.04 H new ATOM 0 HD21 LEU A 72 3.482 -2.713 -9.718 1.00 1.99 H new ATOM 0 HD22 LEU A 72 2.677 -1.414 -10.631 1.00 1.99 H new ATOM 0 HD23 LEU A 72 3.656 -1.020 -9.198 1.00 1.99 H new ATOM 1110 N GLU A 73 1.815 2.504 -9.281 1.00 0.64 N ATOM 1111 CA GLU A 73 2.309 3.458 -10.270 1.00 0.74 C ATOM 1112 C GLU A 73 2.995 4.640 -9.596 1.00 0.71 C ATOM 1113 O GLU A 73 4.222 4.746 -9.608 1.00 0.88 O ATOM 1114 CB GLU A 73 1.155 3.952 -11.136 1.00 0.82 C ATOM 1115 CG GLU A 73 0.502 2.808 -11.906 1.00 1.00 C ATOM 1116 CD GLU A 73 -0.735 3.305 -12.642 1.00 1.41 C ATOM 1117 OE1 GLU A 73 -1.694 3.736 -11.969 1.00 2.05 O ATOM 1118 OE2 GLU A 73 -0.741 3.265 -13.891 1.00 2.01 O ATOM 0 H GLU A 73 0.918 2.754 -8.864 1.00 0.64 H new ATOM 0 HA GLU A 73 3.042 2.951 -10.897 1.00 0.74 H new ATOM 0 HB2 GLU A 73 0.410 4.440 -10.507 1.00 0.82 H new ATOM 0 HB3 GLU A 73 1.521 4.702 -11.838 1.00 0.82 H new ATOM 0 HG2 GLU A 73 1.212 2.387 -12.618 1.00 1.00 H new ATOM 0 HG3 GLU A 73 0.228 2.008 -11.219 1.00 1.00 H new ATOM 1125 N LEU A 74 2.199 5.531 -9.014 1.00 0.64 N ATOM 1126 CA LEU A 74 2.732 6.711 -8.341 1.00 0.71 C ATOM 1127 C LEU A 74 3.500 6.317 -7.086 1.00 0.82 C ATOM 1128 O LEU A 74 4.546 6.891 -6.783 1.00 1.13 O ATOM 1129 CB LEU A 74 1.595 7.660 -7.976 1.00 0.85 C ATOM 1130 CG LEU A 74 0.684 7.934 -9.170 1.00 0.99 C ATOM 1131 CD1 LEU A 74 -0.383 8.963 -8.808 1.00 1.19 C ATOM 1132 CD2 LEU A 74 1.495 8.401 -10.376 1.00 1.32 C ATOM 0 H LEU A 74 1.182 5.459 -8.995 1.00 0.64 H new ATOM 0 HA LEU A 74 3.418 7.215 -9.022 1.00 0.71 H new ATOM 0 HB2 LEU A 74 1.010 7.231 -7.162 1.00 0.85 H new ATOM 0 HB3 LEU A 74 2.008 8.600 -7.610 1.00 0.85 H new ATOM 0 HG LEU A 74 0.185 7.002 -9.437 1.00 0.99 H new ATOM 0 HD11 LEU A 74 -1.022 9.144 -9.672 1.00 1.19 H new ATOM 0 HD12 LEU A 74 -0.987 8.586 -7.983 1.00 1.19 H new ATOM 0 HD13 LEU A 74 0.097 9.895 -8.510 1.00 1.19 H new ATOM 0 HD21 LEU A 74 0.824 8.590 -11.214 1.00 1.32 H new ATOM 0 HD22 LEU A 74 2.027 9.318 -10.123 1.00 1.32 H new ATOM 0 HD23 LEU A 74 2.213 7.629 -10.653 1.00 1.32 H new ATOM 1144 N ALA A 75 2.976 5.337 -6.359 1.00 0.78 N ATOM 1145 CA ALA A 75 3.613 4.867 -5.137 1.00 0.99 C ATOM 1146 C ALA A 75 3.793 6.016 -4.151 1.00 1.70 C ATOM 1147 O ALA A 75 4.696 5.992 -3.314 1.00 2.16 O ATOM 1148 CB ALA A 75 4.969 4.247 -5.463 1.00 1.14 C ATOM 0 H ALA A 75 2.110 4.853 -6.596 1.00 0.78 H new ATOM 0 HA ALA A 75 2.973 4.113 -4.680 1.00 0.99 H new ATOM 0 HB1 ALA A 75 5.440 3.898 -4.544 1.00 1.14 H new ATOM 0 HB2 ALA A 75 4.831 3.406 -6.142 1.00 1.14 H new ATOM 0 HB3 ALA A 75 5.606 4.994 -5.936 1.00 1.14 H new ATOM 1154 N SER A 76 2.928 7.020 -4.255 1.00 2.17 N ATOM 1155 CA SER A 76 2.990 8.181 -3.373 1.00 3.01 C ATOM 1156 C SER A 76 1.693 8.976 -3.444 1.00 3.57 C ATOM 1157 O SER A 76 1.065 9.186 -2.385 1.00 4.23 O ATOM 1158 CB SER A 76 4.164 9.071 -3.763 1.00 3.63 C ATOM 1159 OG SER A 76 4.165 10.258 -2.982 1.00 4.36 O ATOM 1160 OXT SER A 76 1.308 9.388 -4.558 1.00 3.89 O ATOM 0 H SER A 76 2.175 7.053 -4.942 1.00 2.17 H new ATOM 0 HA SER A 76 3.130 7.831 -2.350 1.00 3.01 H new ATOM 0 HB2 SER A 76 5.101 8.532 -3.619 1.00 3.63 H new ATOM 0 HB3 SER A 76 4.101 9.324 -4.821 1.00 3.63 H new ATOM 0 HG SER A 76 4.925 10.820 -3.242 1.00 4.36 H new TER 1166 SER A 76