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 18 HIS : no HD1:sc= -2.62 K(o=-14,f=-16!) USER MOD Set 1.2: A 21 HIS : no HE2:sc= -6.76! C(o=-14!,f=-15!) USER MOD Set 1.3: A 49 SER OG : rot 180:sc= -0.0121 USER MOD Set 1.4: A 53 ASN : amide:sc= -4.12 K(o=-14,f=-19!) USER MOD Single : A 7 ASN : amide:sc= -0.0336 K(o=-0.034,f=-1.9!) 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=-0.00208 K(o=-0.0021,f=-0.69) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 HIS : no HE2:sc= 0.0343 X(o=0.034,f=-0.3) USER MOD Single : A 27 LYS NZ :NH3+ 150:sc= -0.152 (180deg=-0.689) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 ASN : amide:sc= -0.0263 K(o=-0.026,f=-3.9!) USER MOD Single : A 33 ASN : amide:sc= -0.293 X(o=-0.29,f=-0.12) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 GLN : amide:sc= -0.366 X(o=-0.37,f=-0.36) 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 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 180:sc= -0.436 USER MOD Single : A 62 GLN : amide:sc= -0.329 X(o=-0.33,f=-0.014) USER MOD Single : A 65 GLN : amide:sc= -0.182 K(o=-0.18,f=-0.89) USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,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 -19.210 -3.780 -1.288 1.00 6.51 N ATOM 2 CA ILE A 6 -20.378 -4.377 -1.924 1.00 5.95 C ATOM 3 C ILE A 6 -20.442 -5.869 -1.632 1.00 5.14 C ATOM 4 O ILE A 6 -21.522 -6.454 -1.566 1.00 5.46 O ATOM 5 CB ILE A 6 -20.327 -4.147 -3.431 1.00 6.67 C ATOM 6 CG1 ILE A 6 -20.158 -2.662 -3.743 1.00 7.44 C ATOM 7 CG2 ILE A 6 -21.579 -4.696 -4.106 1.00 6.84 C ATOM 8 CD1 ILE A 6 -20.012 -2.419 -5.243 1.00 8.10 C ATOM 0 HA ILE A 6 -21.272 -3.903 -1.518 1.00 5.95 H new ATOM 0 HB ILE A 6 -19.464 -4.683 -3.826 1.00 6.67 H new ATOM 0 HG12 ILE A 6 -21.019 -2.110 -3.366 1.00 7.44 H new ATOM 0 HG13 ILE A 6 -19.280 -2.278 -3.224 1.00 7.44 H new ATOM 0 HG21 ILE A 6 -21.520 -4.520 -5.180 1.00 6.84 H new ATOM 0 HG22 ILE A 6 -21.654 -5.767 -3.917 1.00 6.84 H new ATOM 0 HG23 ILE A 6 -22.459 -4.194 -3.704 1.00 6.84 H new ATOM 0 HD11 ILE A 6 -19.894 -1.351 -5.429 1.00 8.10 H new ATOM 0 HD12 ILE A 6 -19.136 -2.951 -5.614 1.00 8.10 H new ATOM 0 HD13 ILE A 6 -20.902 -2.781 -5.758 1.00 8.10 H new ATOM 20 N ASN A 7 -19.275 -6.483 -1.458 1.00 4.48 N ATOM 21 CA ASN A 7 -19.195 -7.910 -1.173 1.00 4.06 C ATOM 22 C ASN A 7 -18.035 -8.203 -0.230 1.00 3.11 C ATOM 23 O ASN A 7 -16.952 -8.593 -0.665 1.00 3.46 O ATOM 24 CB ASN A 7 -19.016 -8.690 -2.472 1.00 4.82 C ATOM 25 CG ASN A 7 -19.485 -10.128 -2.297 1.00 5.60 C ATOM 26 OD1 ASN A 7 -19.584 -10.628 -1.176 1.00 5.87 O ATOM 27 ND2 ASN A 7 -19.775 -10.795 -3.407 1.00 6.34 N ATOM 0 H ASN A 7 -18.371 -6.013 -1.510 1.00 4.48 H new ATOM 0 HA ASN A 7 -20.122 -8.220 -0.691 1.00 4.06 H new ATOM 0 HB2 ASN A 7 -19.581 -8.211 -3.272 1.00 4.82 H new ATOM 0 HB3 ASN A 7 -17.968 -8.676 -2.770 1.00 4.82 H new ATOM 0 HD21 ASN A 7 -20.095 -11.762 -3.352 1.00 6.34 H new ATOM 0 HD22 ASN A 7 -19.678 -10.341 -4.315 1.00 6.34 H new ATOM 34 N ARG A 8 -18.268 -8.010 1.065 1.00 2.49 N ATOM 35 CA ARG A 8 -17.241 -8.253 2.071 1.00 2.11 C ATOM 36 C ARG A 8 -16.043 -7.340 1.842 1.00 1.69 C ATOM 37 O ARG A 8 -15.930 -6.697 0.797 1.00 2.38 O ATOM 38 CB ARG A 8 -16.798 -9.712 2.023 1.00 2.95 C ATOM 39 CG ARG A 8 -16.954 -10.392 3.380 1.00 3.61 C ATOM 40 CD ARG A 8 -17.937 -11.557 3.312 1.00 4.57 C ATOM 41 NE ARG A 8 -17.234 -12.794 2.988 1.00 5.39 N ATOM 42 CZ ARG A 8 -17.888 -13.896 2.636 1.00 6.19 C ATOM 43 NH1 ARG A 8 -18.456 -13.978 1.440 1.00 6.74 N ATOM 44 NH2 ARG A 8 -17.975 -14.916 3.478 1.00 6.68 N ATOM 0 H ARG A 8 -19.159 -7.686 1.442 1.00 2.49 H new ATOM 0 HA ARG A 8 -17.661 -8.038 3.054 1.00 2.11 H new ATOM 0 HB2 ARG A 8 -17.386 -10.247 1.278 1.00 2.95 H new ATOM 0 HB3 ARG A 8 -15.757 -9.766 1.706 1.00 2.95 H new ATOM 0 HG2 ARG A 8 -15.984 -10.753 3.721 1.00 3.61 H new ATOM 0 HG3 ARG A 8 -17.300 -9.665 4.115 1.00 3.61 H new ATOM 0 HD2 ARG A 8 -18.453 -11.663 4.266 1.00 4.57 H new ATOM 0 HD3 ARG A 8 -18.699 -11.356 2.559 1.00 4.57 H new ATOM 0 HE ARG A 8 -16.215 -12.813 3.033 1.00 5.39 H new ATOM 0 HH11 ARG A 8 -18.391 -13.195 0.790 1.00 6.74 H new ATOM 0 HH12 ARG A 8 -18.958 -14.824 1.171 1.00 6.74 H new ATOM 0 HH21 ARG A 8 -17.539 -14.856 4.398 1.00 6.68 H new ATOM 0 HH22 ARG A 8 -18.478 -15.761 3.206 1.00 6.68 H new ATOM 58 N MET A 9 -15.152 -7.287 2.825 1.00 1.18 N ATOM 59 CA MET A 9 -13.959 -6.454 2.736 1.00 0.82 C ATOM 60 C MET A 9 -13.189 -6.754 1.457 1.00 0.72 C ATOM 61 O MET A 9 -13.308 -7.840 0.889 1.00 0.97 O ATOM 62 CB MET A 9 -13.065 -6.699 3.948 1.00 1.08 C ATOM 63 CG MET A 9 -12.574 -8.142 3.996 1.00 1.61 C ATOM 64 SD MET A 9 -13.505 -9.150 5.163 1.00 2.27 S ATOM 65 CE MET A 9 -12.274 -9.400 6.452 1.00 2.82 C ATOM 0 H MET A 9 -15.234 -7.813 3.695 1.00 1.18 H new ATOM 0 HA MET A 9 -14.266 -5.408 2.719 1.00 0.82 H new ATOM 0 HB2 MET A 9 -12.210 -6.023 3.914 1.00 1.08 H new ATOM 0 HB3 MET A 9 -13.616 -6.470 4.860 1.00 1.08 H new ATOM 0 HG2 MET A 9 -12.649 -8.581 3.001 1.00 1.61 H new ATOM 0 HG3 MET A 9 -11.519 -8.154 4.271 1.00 1.61 H new ATOM 0 HE1 MET A 9 -12.701 -10.009 7.249 1.00 2.82 H new ATOM 0 HE2 MET A 9 -11.406 -9.908 6.032 1.00 2.82 H new ATOM 0 HE3 MET A 9 -11.969 -8.435 6.856 1.00 2.82 H new ATOM 75 N ASP A 10 -12.392 -5.788 1.011 1.00 0.49 N ATOM 76 CA ASP A 10 -11.595 -5.949 -0.200 1.00 0.42 C ATOM 77 C ASP A 10 -10.112 -5.842 0.128 1.00 0.38 C ATOM 78 O ASP A 10 -9.680 -4.893 0.782 1.00 0.54 O ATOM 79 CB ASP A 10 -11.981 -4.888 -1.227 1.00 0.44 C ATOM 80 CG ASP A 10 -13.374 -5.163 -1.775 1.00 0.86 C ATOM 81 OD1 ASP A 10 -13.522 -6.109 -2.577 1.00 1.55 O ATOM 82 OD2 ASP A 10 -14.315 -4.433 -1.401 1.00 1.53 O ATOM 0 H ASP A 10 -12.281 -4.884 1.471 1.00 0.49 H new ATOM 0 HA ASP A 10 -11.792 -6.935 -0.620 1.00 0.42 H new ATOM 0 HB2 ASP A 10 -11.953 -3.900 -0.767 1.00 0.44 H new ATOM 0 HB3 ASP A 10 -11.257 -4.881 -2.042 1.00 0.44 H new ATOM 87 N TYR A 11 -9.334 -6.820 -0.325 1.00 0.40 N ATOM 88 CA TYR A 11 -7.898 -6.831 -0.069 1.00 0.37 C ATOM 89 C TYR A 11 -7.113 -7.020 -1.362 1.00 0.34 C ATOM 90 O TYR A 11 -7.552 -7.722 -2.273 1.00 0.38 O ATOM 91 CB TYR A 11 -7.554 -7.944 0.919 1.00 0.42 C ATOM 92 CG TYR A 11 -7.675 -9.326 0.321 1.00 0.48 C ATOM 93 CD1 TYR A 11 -6.630 -9.856 -0.416 1.00 0.57 C ATOM 94 CD2 TYR A 11 -8.829 -10.068 0.506 1.00 0.54 C ATOM 95 CE1 TYR A 11 -6.738 -11.122 -0.965 1.00 0.67 C ATOM 96 CE2 TYR A 11 -8.937 -11.333 -0.043 1.00 0.63 C ATOM 97 CZ TYR A 11 -7.891 -11.854 -0.777 1.00 0.67 C ATOM 98 OH TYR A 11 -7.999 -13.113 -1.324 1.00 0.78 O ATOM 0 H TYR A 11 -9.673 -7.613 -0.870 1.00 0.40 H new ATOM 0 HA TYR A 11 -7.620 -5.868 0.360 1.00 0.37 H new ATOM 0 HB2 TYR A 11 -6.536 -7.799 1.280 1.00 0.42 H new ATOM 0 HB3 TYR A 11 -8.213 -7.870 1.784 1.00 0.42 H new ATOM 0 HD1 TYR A 11 -5.728 -9.280 -0.563 1.00 0.57 H new ATOM 0 HD2 TYR A 11 -9.647 -9.658 1.080 1.00 0.54 H new ATOM 0 HE1 TYR A 11 -5.922 -11.535 -1.539 1.00 0.67 H new ATOM 0 HE2 TYR A 11 -9.837 -11.911 0.102 1.00 0.63 H new ATOM 0 HH TYR A 11 -8.873 -13.494 -1.098 1.00 0.78 H new ATOM 108 N VAL A 12 -5.946 -6.388 -1.430 1.00 0.34 N ATOM 109 CA VAL A 12 -5.084 -6.478 -2.602 1.00 0.34 C ATOM 110 C VAL A 12 -3.639 -6.194 -2.213 1.00 0.35 C ATOM 111 O VAL A 12 -3.365 -5.691 -1.124 1.00 0.51 O ATOM 112 CB VAL A 12 -5.524 -5.498 -3.698 1.00 0.38 C ATOM 113 CG1 VAL A 12 -6.254 -6.241 -4.813 1.00 0.81 C ATOM 114 CG2 VAL A 12 -6.392 -4.362 -3.150 1.00 0.52 C ATOM 0 H VAL A 12 -5.574 -5.804 -0.681 1.00 0.34 H new ATOM 0 HA VAL A 12 -5.165 -7.491 -2.996 1.00 0.34 H new ATOM 0 HB VAL A 12 -4.621 -5.042 -4.104 1.00 0.38 H new ATOM 0 HG11 VAL A 12 -6.560 -5.533 -5.583 1.00 0.81 H new ATOM 0 HG12 VAL A 12 -5.589 -6.986 -5.249 1.00 0.81 H new ATOM 0 HG13 VAL A 12 -7.135 -6.736 -4.404 1.00 0.81 H new ATOM 0 HG21 VAL A 12 -6.677 -3.696 -3.965 1.00 0.52 H new ATOM 0 HG22 VAL A 12 -7.289 -4.778 -2.691 1.00 0.52 H new ATOM 0 HG23 VAL A 12 -5.829 -3.802 -2.404 1.00 0.52 H new ATOM 124 N GLU A 13 -2.717 -6.523 -3.110 1.00 0.49 N ATOM 125 CA GLU A 13 -1.295 -6.309 -2.865 1.00 0.54 C ATOM 126 C GLU A 13 -0.569 -6.017 -4.172 1.00 0.50 C ATOM 127 O GLU A 13 -1.076 -6.315 -5.253 1.00 0.60 O ATOM 128 CB GLU A 13 -0.694 -7.544 -2.205 1.00 0.67 C ATOM 129 CG GLU A 13 -0.913 -8.790 -3.057 1.00 1.05 C ATOM 130 CD GLU A 13 -0.631 -10.046 -2.243 1.00 1.43 C ATOM 131 OE1 GLU A 13 -0.730 -9.984 -0.999 1.00 2.05 O ATOM 132 OE2 GLU A 13 -0.314 -11.090 -2.850 1.00 1.97 O ATOM 0 H GLU A 13 -2.929 -6.940 -4.016 1.00 0.49 H new ATOM 0 HA GLU A 13 -1.179 -5.452 -2.201 1.00 0.54 H new ATOM 0 HB2 GLU A 13 0.374 -7.392 -2.048 1.00 0.67 H new ATOM 0 HB3 GLU A 13 -1.143 -7.689 -1.223 1.00 0.67 H new ATOM 0 HG2 GLU A 13 -1.939 -8.811 -3.426 1.00 1.05 H new ATOM 0 HG3 GLU A 13 -0.261 -8.761 -3.930 1.00 1.05 H new ATOM 139 N ILE A 14 0.620 -5.434 -4.069 1.00 0.48 N ATOM 140 CA ILE A 14 1.414 -5.105 -5.248 1.00 0.49 C ATOM 141 C ILE A 14 2.850 -5.583 -5.077 1.00 0.48 C ATOM 142 O ILE A 14 3.468 -5.361 -4.036 1.00 0.43 O ATOM 143 CB ILE A 14 1.391 -3.600 -5.496 1.00 0.52 C ATOM 144 CG1 ILE A 14 1.980 -2.847 -4.306 1.00 0.51 C ATOM 145 CG2 ILE A 14 -0.026 -3.117 -5.786 1.00 0.64 C ATOM 146 CD1 ILE A 14 2.091 -1.352 -4.590 1.00 0.63 C ATOM 0 H ILE A 14 1.055 -5.179 -3.182 1.00 0.48 H new ATOM 0 HA ILE A 14 0.978 -5.613 -6.109 1.00 0.49 H new ATOM 0 HB ILE A 14 2.006 -3.394 -6.372 1.00 0.52 H new ATOM 0 HG12 ILE A 14 1.355 -3.006 -3.428 1.00 0.51 H new ATOM 0 HG13 ILE A 14 2.966 -3.248 -4.072 1.00 0.51 H new ATOM 0 HG21 ILE A 14 -0.015 -2.041 -5.959 1.00 0.64 H new ATOM 0 HG22 ILE A 14 -0.409 -3.623 -6.672 1.00 0.64 H new ATOM 0 HG23 ILE A 14 -0.668 -3.341 -4.934 1.00 0.64 H new ATOM 0 HD11 ILE A 14 2.514 -0.847 -3.722 1.00 0.63 H new ATOM 0 HD12 ILE A 14 2.737 -1.193 -5.453 1.00 0.63 H new ATOM 0 HD13 ILE A 14 1.101 -0.947 -4.799 1.00 0.63 H new ATOM 158 N ASN A 15 3.377 -6.238 -6.108 1.00 0.59 N ATOM 159 CA ASN A 15 4.743 -6.745 -6.073 1.00 0.62 C ATOM 160 C ASN A 15 5.735 -5.599 -6.216 1.00 0.60 C ATOM 161 O ASN A 15 5.636 -4.792 -7.142 1.00 0.78 O ATOM 162 CB ASN A 15 4.955 -7.761 -7.191 1.00 0.79 C ATOM 163 CG ASN A 15 5.811 -8.917 -6.694 1.00 1.31 C ATOM 164 OD1 ASN A 15 6.814 -8.712 -6.011 1.00 2.20 O ATOM 165 ND2 ASN A 15 5.414 -10.137 -7.034 1.00 1.54 N ATOM 0 H ASN A 15 2.878 -6.429 -6.977 1.00 0.59 H new ATOM 0 HA ASN A 15 4.908 -7.235 -5.114 1.00 0.62 H new ATOM 0 HB2 ASN A 15 3.992 -8.135 -7.540 1.00 0.79 H new ATOM 0 HB3 ASN A 15 5.438 -7.281 -8.042 1.00 0.79 H new ATOM 0 HD21 ASN A 15 5.947 -10.951 -6.727 1.00 1.54 H new ATOM 0 HD22 ASN A 15 4.576 -10.261 -7.602 1.00 1.54 H new ATOM 172 N ILE A 16 6.686 -5.527 -5.293 1.00 0.49 N ATOM 173 CA ILE A 16 7.690 -4.472 -5.314 1.00 0.49 C ATOM 174 C ILE A 16 9.073 -5.034 -5.010 1.00 0.56 C ATOM 175 O ILE A 16 9.203 -6.144 -4.493 1.00 0.66 O ATOM 176 CB ILE A 16 7.328 -3.399 -4.293 1.00 0.48 C ATOM 177 CG1 ILE A 16 5.899 -2.907 -4.518 1.00 0.63 C ATOM 178 CG2 ILE A 16 8.310 -2.240 -4.355 1.00 0.58 C ATOM 179 CD1 ILE A 16 5.777 -2.105 -5.811 1.00 0.84 C ATOM 0 H ILE A 16 6.783 -6.187 -4.521 1.00 0.49 H new ATOM 0 HA ILE A 16 7.711 -4.032 -6.311 1.00 0.49 H new ATOM 0 HB ILE A 16 7.388 -3.840 -3.298 1.00 0.48 H new ATOM 0 HG12 ILE A 16 5.221 -3.760 -4.553 1.00 0.63 H new ATOM 0 HG13 ILE A 16 5.590 -2.289 -3.675 1.00 0.63 H new ATOM 0 HG21 ILE A 16 8.031 -1.487 -3.618 1.00 0.58 H new ATOM 0 HG22 ILE A 16 9.315 -2.603 -4.141 1.00 0.58 H new ATOM 0 HG23 ILE A 16 8.288 -1.798 -5.351 1.00 0.58 H new ATOM 0 HD11 ILE A 16 4.747 -1.772 -5.937 1.00 0.84 H new ATOM 0 HD12 ILE A 16 6.436 -1.238 -5.765 1.00 0.84 H new ATOM 0 HD13 ILE A 16 6.061 -2.732 -6.656 1.00 0.84 H new ATOM 191 N ASP A 17 10.106 -4.262 -5.338 1.00 0.63 N ATOM 192 CA ASP A 17 11.484 -4.681 -5.106 1.00 0.75 C ATOM 193 C ASP A 17 11.912 -4.366 -3.677 1.00 1.00 C ATOM 194 O ASP A 17 12.102 -5.270 -2.865 1.00 1.75 O ATOM 195 CB ASP A 17 12.414 -3.981 -6.091 1.00 1.27 C ATOM 196 CG ASP A 17 12.306 -4.625 -7.467 1.00 1.63 C ATOM 197 OD1 ASP A 17 11.272 -4.426 -8.139 1.00 2.16 O ATOM 198 OD2 ASP A 17 13.257 -5.327 -7.872 1.00 2.21 O ATOM 0 H ASP A 17 10.013 -3.341 -5.766 1.00 0.63 H new ATOM 0 HA ASP A 17 11.545 -5.759 -5.256 1.00 0.75 H new ATOM 0 HB2 ASP A 17 12.158 -2.924 -6.155 1.00 1.27 H new ATOM 0 HB3 ASP A 17 13.442 -4.038 -5.735 1.00 1.27 H new ATOM 203 N HIS A 18 12.067 -3.080 -3.375 1.00 1.27 N ATOM 204 CA HIS A 18 12.476 -2.655 -2.040 1.00 1.85 C ATOM 205 C HIS A 18 12.708 -1.149 -1.999 1.00 1.32 C ATOM 206 O HIS A 18 12.299 -0.474 -1.054 1.00 2.00 O ATOM 207 CB HIS A 18 13.752 -3.386 -1.631 1.00 2.83 C ATOM 208 CG HIS A 18 13.533 -4.366 -0.519 1.00 3.48 C ATOM 209 ND1 HIS A 18 13.357 -3.994 0.789 1.00 4.01 N ATOM 210 CD2 HIS A 18 13.462 -5.723 -0.508 1.00 4.16 C ATOM 211 CE1 HIS A 18 13.188 -5.043 1.558 1.00 4.73 C ATOM 212 NE2 HIS A 18 13.246 -6.124 0.798 1.00 4.84 N ATOM 0 H HIS A 18 11.916 -2.316 -4.034 1.00 1.27 H new ATOM 0 HA HIS A 18 11.677 -2.901 -1.340 1.00 1.85 H new ATOM 0 HB2 HIS A 18 14.157 -3.911 -2.496 1.00 2.83 H new ATOM 0 HB3 HIS A 18 14.500 -2.656 -1.322 1.00 2.83 H new ATOM 0 HD2 HIS A 18 13.557 -6.372 -1.366 1.00 4.16 H new ATOM 0 HE1 HIS A 18 13.029 -5.027 2.626 1.00 4.73 H new ATOM 0 HE2 HIS A 18 13.148 -7.087 1.120 1.00 4.84 H new ATOM 220 N LYS A 19 13.370 -0.627 -3.027 1.00 0.82 N ATOM 221 CA LYS A 19 13.662 0.800 -3.105 1.00 0.84 C ATOM 222 C LYS A 19 12.392 1.629 -2.948 1.00 0.77 C ATOM 223 O LYS A 19 12.449 2.803 -2.585 1.00 1.13 O ATOM 224 CB LYS A 19 14.327 1.123 -4.440 1.00 1.47 C ATOM 225 CG LYS A 19 13.369 0.923 -5.611 1.00 1.97 C ATOM 226 CD LYS A 19 13.908 1.557 -6.892 1.00 2.72 C ATOM 227 CE LYS A 19 14.722 0.560 -7.713 1.00 3.37 C ATOM 228 NZ LYS A 19 14.376 0.640 -9.159 1.00 4.03 N ATOM 0 H LYS A 19 13.714 -1.171 -3.818 1.00 0.82 H new ATOM 0 HA LYS A 19 14.340 1.053 -2.290 1.00 0.84 H new ATOM 0 HB2 LYS A 19 14.680 2.154 -4.431 1.00 1.47 H new ATOM 0 HB3 LYS A 19 15.203 0.488 -4.574 1.00 1.47 H new ATOM 0 HG2 LYS A 19 13.207 -0.143 -5.772 1.00 1.97 H new ATOM 0 HG3 LYS A 19 12.400 1.359 -5.368 1.00 1.97 H new ATOM 0 HD2 LYS A 19 13.078 1.930 -7.491 1.00 2.72 H new ATOM 0 HD3 LYS A 19 14.530 2.416 -6.640 1.00 2.72 H new ATOM 0 HE2 LYS A 19 15.785 0.758 -7.580 1.00 3.37 H new ATOM 0 HE3 LYS A 19 14.538 -0.451 -7.348 1.00 3.37 H new ATOM 0 HZ1 LYS A 19 14.945 -0.049 -9.691 1.00 4.03 H new ATOM 0 HZ2 LYS A 19 13.366 0.427 -9.287 1.00 4.03 H new ATOM 0 HZ3 LYS A 19 14.575 1.598 -9.511 1.00 4.03 H new ATOM 242 N PHE A 20 11.246 1.017 -3.232 1.00 0.63 N ATOM 243 CA PHE A 20 9.965 1.706 -3.130 1.00 0.61 C ATOM 244 C PHE A 20 9.549 1.888 -1.674 1.00 0.62 C ATOM 245 O PHE A 20 9.315 3.009 -1.224 1.00 0.95 O ATOM 246 CB PHE A 20 8.897 0.919 -3.882 1.00 0.62 C ATOM 247 CG PHE A 20 8.461 1.580 -5.167 1.00 0.75 C ATOM 248 CD1 PHE A 20 9.366 2.321 -5.908 1.00 1.08 C ATOM 249 CD2 PHE A 20 7.154 1.452 -5.611 1.00 0.96 C ATOM 250 CE1 PHE A 20 8.968 2.930 -7.085 1.00 1.26 C ATOM 251 CE2 PHE A 20 6.756 2.061 -6.788 1.00 1.17 C ATOM 252 CZ PHE A 20 7.658 2.791 -7.529 1.00 1.19 C ATOM 0 H PHE A 20 11.179 0.045 -3.535 1.00 0.63 H new ATOM 0 HA PHE A 20 10.073 2.695 -3.575 1.00 0.61 H new ATOM 0 HB2 PHE A 20 9.280 -0.077 -4.106 1.00 0.62 H new ATOM 0 HB3 PHE A 20 8.029 0.789 -3.236 1.00 0.62 H new ATOM 0 HD1 PHE A 20 10.385 2.424 -5.566 1.00 1.08 H new ATOM 0 HD2 PHE A 20 6.444 0.875 -5.037 1.00 0.96 H new ATOM 0 HE1 PHE A 20 9.674 3.513 -7.658 1.00 1.26 H new ATOM 0 HE2 PHE A 20 5.735 1.963 -7.126 1.00 1.17 H new ATOM 0 HZ PHE A 20 7.348 3.255 -8.454 1.00 1.19 H new ATOM 262 N HIS A 21 9.455 0.780 -0.935 1.00 0.53 N ATOM 263 CA HIS A 21 9.060 0.817 0.477 1.00 0.57 C ATOM 264 C HIS A 21 9.732 1.976 1.207 1.00 0.69 C ATOM 265 O HIS A 21 9.074 2.931 1.618 1.00 1.03 O ATOM 266 CB HIS A 21 9.429 -0.498 1.158 1.00 0.54 C ATOM 267 CG HIS A 21 8.604 -1.659 0.693 1.00 0.47 C ATOM 268 ND1 HIS A 21 8.279 -2.720 1.499 1.00 0.48 N ATOM 269 CD2 HIS A 21 8.026 -1.938 -0.503 1.00 0.44 C ATOM 270 CE1 HIS A 21 7.549 -3.596 0.851 1.00 0.45 C ATOM 271 NE2 HIS A 21 7.373 -3.151 -0.383 1.00 0.42 N ATOM 0 H HIS A 21 9.647 -0.156 -1.291 1.00 0.53 H new ATOM 0 HA HIS A 21 7.980 0.961 0.520 1.00 0.57 H new ATOM 0 HB2 HIS A 21 10.482 -0.712 0.973 1.00 0.54 H new ATOM 0 HB3 HIS A 21 9.311 -0.386 2.236 1.00 0.54 H new ATOM 0 HD1 HIS A 21 8.567 -2.815 2.473 1.00 0.48 H new ATOM 0 HD2 HIS A 21 8.068 -1.323 -1.390 1.00 0.44 H new ATOM 0 HE1 HIS A 21 7.160 -4.519 1.254 1.00 0.45 H new ATOM 279 N ARG A 22 11.049 1.883 1.362 1.00 0.68 N ATOM 280 CA ARG A 22 11.827 2.921 2.041 1.00 0.80 C ATOM 281 C ARG A 22 11.424 4.310 1.561 1.00 0.81 C ATOM 282 O ARG A 22 11.442 5.273 2.326 1.00 0.92 O ATOM 283 CB ARG A 22 13.322 2.714 1.790 1.00 0.93 C ATOM 284 CG ARG A 22 13.605 2.164 0.392 1.00 1.64 C ATOM 285 CD ARG A 22 14.937 2.673 -0.154 1.00 2.14 C ATOM 286 NE ARG A 22 14.762 3.213 -1.499 1.00 2.73 N ATOM 287 CZ ARG A 22 15.795 3.626 -2.225 1.00 3.33 C ATOM 288 NH1 ARG A 22 16.844 2.833 -2.399 1.00 3.72 N ATOM 289 NH2 ARG A 22 15.781 4.831 -2.779 1.00 3.95 N ATOM 0 H ARG A 22 11.605 1.097 1.026 1.00 0.68 H new ATOM 0 HA ARG A 22 11.622 2.845 3.109 1.00 0.80 H new ATOM 0 HB2 ARG A 22 13.844 3.662 1.918 1.00 0.93 H new ATOM 0 HB3 ARG A 22 13.722 2.027 2.536 1.00 0.93 H new ATOM 0 HG2 ARG A 22 13.617 1.075 0.425 1.00 1.64 H new ATOM 0 HG3 ARG A 22 12.800 2.454 -0.283 1.00 1.64 H new ATOM 0 HD2 ARG A 22 15.337 3.444 0.505 1.00 2.14 H new ATOM 0 HD3 ARG A 22 15.664 1.861 -0.173 1.00 2.14 H new ATOM 0 HE ARG A 22 13.823 3.275 -1.891 1.00 2.73 H new ATOM 0 HH11 ARG A 22 16.858 1.905 -1.975 1.00 3.72 H new ATOM 0 HH12 ARG A 22 17.637 3.151 -2.957 1.00 3.72 H new ATOM 0 HH21 ARG A 22 14.976 5.443 -2.648 1.00 3.95 H new ATOM 0 HH22 ARG A 22 16.576 5.146 -3.336 1.00 3.95 H new ATOM 303 N HIS A 23 11.072 4.405 0.285 1.00 0.90 N ATOM 304 CA HIS A 23 10.675 5.674 -0.312 1.00 0.98 C ATOM 305 C HIS A 23 9.251 6.044 0.087 1.00 0.96 C ATOM 306 O HIS A 23 8.959 7.206 0.371 1.00 1.12 O ATOM 307 CB HIS A 23 10.782 5.575 -1.828 1.00 1.02 C ATOM 308 CG HIS A 23 11.203 6.856 -2.476 1.00 1.30 C ATOM 309 ND1 HIS A 23 10.863 8.093 -1.991 1.00 1.83 N ATOM 310 CD2 HIS A 23 11.944 7.108 -3.586 1.00 1.56 C ATOM 311 CE1 HIS A 23 11.355 9.046 -2.746 1.00 2.07 C ATOM 312 NE2 HIS A 23 12.025 8.479 -3.737 1.00 1.86 N ATOM 0 H HIS A 23 11.053 3.614 -0.359 1.00 0.90 H new ATOM 0 HA HIS A 23 11.342 6.455 0.053 1.00 0.98 H new ATOM 0 HB2 HIS A 23 11.497 4.794 -2.085 1.00 1.02 H new ATOM 0 HB3 HIS A 23 9.818 5.270 -2.234 1.00 1.02 H new ATOM 0 HD1 HIS A 23 10.302 8.251 -1.154 1.00 1.83 H new ATOM 0 HD2 HIS A 23 12.390 6.369 -4.235 1.00 1.56 H new ATOM 0 HE1 HIS A 23 11.235 10.107 -2.587 1.00 2.07 H new ATOM 320 N LEU A 24 8.367 5.052 0.103 1.00 0.86 N ATOM 321 CA LEU A 24 6.971 5.277 0.461 1.00 0.87 C ATOM 322 C LEU A 24 6.854 5.756 1.903 1.00 0.97 C ATOM 323 O LEU A 24 6.234 6.785 2.175 1.00 1.16 O ATOM 324 CB LEU A 24 6.171 3.992 0.275 1.00 0.73 C ATOM 325 CG LEU A 24 5.811 3.764 -1.190 1.00 0.76 C ATOM 326 CD1 LEU A 24 6.725 2.714 -1.814 1.00 0.72 C ATOM 327 CD2 LEU A 24 4.347 3.356 -1.330 1.00 1.25 C ATOM 0 H LEU A 24 8.592 4.084 -0.128 1.00 0.86 H new ATOM 0 HA LEU A 24 6.568 6.050 -0.194 1.00 0.87 H new ATOM 0 HB2 LEU A 24 6.750 3.145 0.644 1.00 0.73 H new ATOM 0 HB3 LEU A 24 5.260 4.040 0.871 1.00 0.73 H new ATOM 0 HG LEU A 24 5.956 4.703 -1.725 1.00 0.76 H new ATOM 0 HD11 LEU A 24 6.451 2.567 -2.859 1.00 0.72 H new ATOM 0 HD12 LEU A 24 7.760 3.051 -1.755 1.00 0.72 H new ATOM 0 HD13 LEU A 24 6.619 1.772 -1.275 1.00 0.72 H new ATOM 0 HD21 LEU A 24 4.112 3.199 -2.383 1.00 1.25 H new ATOM 0 HD22 LEU A 24 4.172 2.433 -0.777 1.00 1.25 H new ATOM 0 HD23 LEU A 24 3.710 4.145 -0.930 1.00 1.25 H new ATOM 339 N ILE A 25 7.449 5.007 2.825 1.00 0.92 N ATOM 340 CA ILE A 25 7.406 5.358 4.240 1.00 1.10 C ATOM 341 C ILE A 25 8.095 6.695 4.484 1.00 1.41 C ATOM 342 O ILE A 25 7.785 7.396 5.448 1.00 1.91 O ATOM 343 CB ILE A 25 8.078 4.269 5.071 1.00 0.94 C ATOM 344 CG1 ILE A 25 9.550 4.129 4.691 1.00 0.90 C ATOM 345 CG2 ILE A 25 7.353 2.937 4.903 1.00 1.06 C ATOM 346 CD1 ILE A 25 10.386 3.632 5.867 1.00 0.91 C ATOM 0 H ILE A 25 7.967 4.153 2.618 1.00 0.92 H new ATOM 0 HA ILE A 25 6.362 5.445 4.541 1.00 1.10 H new ATOM 0 HB ILE A 25 8.022 4.560 6.120 1.00 0.94 H new ATOM 0 HG12 ILE A 25 9.647 3.436 3.856 1.00 0.90 H new ATOM 0 HG13 ILE A 25 9.933 5.092 4.352 1.00 0.90 H new ATOM 0 HG21 ILE A 25 7.849 2.175 5.504 1.00 1.06 H new ATOM 0 HG22 ILE A 25 6.319 3.042 5.231 1.00 1.06 H new ATOM 0 HG23 ILE A 25 7.373 2.642 3.854 1.00 1.06 H new ATOM 0 HD11 ILE A 25 11.428 3.544 5.561 1.00 0.91 H new ATOM 0 HD12 ILE A 25 10.309 4.339 6.693 1.00 0.91 H new ATOM 0 HD13 ILE A 25 10.019 2.657 6.188 1.00 0.91 H new ATOM 358 N GLY A 26 9.031 7.043 3.608 1.00 1.49 N ATOM 359 CA GLY A 26 9.764 8.296 3.732 1.00 1.87 C ATOM 360 C GLY A 26 10.891 8.166 4.750 1.00 1.82 C ATOM 361 O GLY A 26 11.759 7.303 4.620 1.00 2.29 O ATOM 0 H GLY A 26 9.300 6.475 2.805 1.00 1.49 H new ATOM 0 HA2 GLY A 26 10.174 8.580 2.763 1.00 1.87 H new ATOM 0 HA3 GLY A 26 9.084 9.092 4.036 1.00 1.87 H new ATOM 365 N LYS A 27 10.870 9.024 5.765 1.00 1.86 N ATOM 366 CA LYS A 27 11.891 9.002 6.806 1.00 1.91 C ATOM 367 C LYS A 27 11.697 7.794 7.714 1.00 1.62 C ATOM 368 O LYS A 27 12.553 6.912 7.781 1.00 2.38 O ATOM 369 CB LYS A 27 11.827 10.286 7.628 1.00 2.21 C ATOM 370 CG LYS A 27 13.084 10.473 8.475 1.00 2.65 C ATOM 371 CD LYS A 27 13.238 11.918 8.939 1.00 3.30 C ATOM 372 CE LYS A 27 12.960 12.061 10.433 1.00 3.80 C ATOM 373 NZ LYS A 27 13.906 11.241 11.240 1.00 4.51 N ATOM 0 H LYS A 27 10.157 9.743 5.889 1.00 1.86 H new ATOM 0 HA LYS A 27 12.870 8.930 6.332 1.00 1.91 H new ATOM 0 HB2 LYS A 27 11.706 11.140 6.962 1.00 2.21 H new ATOM 0 HB3 LYS A 27 10.951 10.261 8.276 1.00 2.21 H new ATOM 0 HG2 LYS A 27 13.040 9.814 9.342 1.00 2.65 H new ATOM 0 HG3 LYS A 27 13.960 10.181 7.896 1.00 2.65 H new ATOM 0 HD2 LYS A 27 14.248 12.265 8.721 1.00 3.30 H new ATOM 0 HD3 LYS A 27 12.554 12.556 8.378 1.00 3.30 H new ATOM 0 HE2 LYS A 27 13.045 13.108 10.722 1.00 3.80 H new ATOM 0 HE3 LYS A 27 11.936 11.754 10.646 1.00 3.80 H new ATOM 0 HZ1 LYS A 27 14.061 11.696 12.162 1.00 4.51 H new ATOM 0 HZ2 LYS A 27 13.506 10.292 11.385 1.00 4.51 H new ATOM 0 HZ3 LYS A 27 14.813 11.161 10.737 1.00 4.51 H new ATOM 387 N SER A 28 10.566 7.759 8.410 1.00 1.28 N ATOM 388 CA SER A 28 10.255 6.658 9.313 1.00 1.60 C ATOM 389 C SER A 28 9.013 5.916 8.839 1.00 1.60 C ATOM 390 O SER A 28 8.980 4.686 8.825 1.00 2.28 O ATOM 391 CB SER A 28 10.037 7.186 10.726 1.00 1.99 C ATOM 392 OG SER A 28 10.487 6.236 11.682 1.00 2.57 O ATOM 0 H SER A 28 9.848 8.482 8.366 1.00 1.28 H new ATOM 0 HA SER A 28 11.096 5.965 9.317 1.00 1.60 H new ATOM 0 HB2 SER A 28 10.573 8.126 10.857 1.00 1.99 H new ATOM 0 HB3 SER A 28 8.979 7.398 10.883 1.00 1.99 H new ATOM 0 HG SER A 28 10.343 6.588 12.585 1.00 2.57 H new ATOM 398 N GLY A 29 7.993 6.673 8.452 1.00 1.21 N ATOM 399 CA GLY A 29 6.745 6.090 7.975 1.00 1.23 C ATOM 400 C GLY A 29 5.552 6.941 8.387 1.00 1.36 C ATOM 401 O GLY A 29 4.806 6.582 9.298 1.00 2.05 O ATOM 0 H GLY A 29 8.006 7.693 8.459 1.00 1.21 H new ATOM 0 HA2 GLY A 29 6.774 5.999 6.889 1.00 1.23 H new ATOM 0 HA3 GLY A 29 6.633 5.083 8.376 1.00 1.23 H new ATOM 405 N ALA A 30 5.374 8.069 7.708 1.00 1.00 N ATOM 406 CA ALA A 30 4.267 8.972 8.001 1.00 1.10 C ATOM 407 C ALA A 30 3.445 9.243 6.746 1.00 1.06 C ATOM 408 O ALA A 30 2.743 10.250 6.660 1.00 1.43 O ATOM 409 CB ALA A 30 4.801 10.287 8.562 1.00 1.27 C ATOM 0 H ALA A 30 5.982 8.380 6.951 1.00 1.00 H new ATOM 0 HA ALA A 30 3.624 8.498 8.742 1.00 1.10 H new ATOM 0 HB1 ALA A 30 3.968 10.956 8.778 1.00 1.27 H new ATOM 0 HB2 ALA A 30 5.357 10.092 9.479 1.00 1.27 H new ATOM 0 HB3 ALA A 30 5.460 10.754 7.830 1.00 1.27 H new ATOM 415 N ASN A 31 3.535 8.339 5.773 1.00 0.73 N ATOM 416 CA ASN A 31 2.798 8.485 4.524 1.00 0.69 C ATOM 417 C ASN A 31 1.686 7.449 4.435 1.00 0.60 C ATOM 418 O ASN A 31 0.583 7.745 3.977 1.00 0.58 O ATOM 419 CB ASN A 31 3.748 8.333 3.340 1.00 0.71 C ATOM 420 CG ASN A 31 4.652 9.554 3.230 1.00 1.24 C ATOM 421 OD1 ASN A 31 4.722 10.371 4.148 1.00 1.91 O ATOM 422 ND2 ASN A 31 5.346 9.678 2.105 1.00 1.42 N ATOM 0 H ASN A 31 4.111 7.499 5.827 1.00 0.73 H new ATOM 0 HA ASN A 31 2.349 9.478 4.499 1.00 0.69 H new ATOM 0 HB2 ASN A 31 4.352 7.434 3.462 1.00 0.71 H new ATOM 0 HB3 ASN A 31 3.177 8.210 2.420 1.00 0.71 H new ATOM 0 HD21 ASN A 31 5.969 10.475 1.975 1.00 1.42 H new ATOM 0 HD22 ASN A 31 5.256 8.976 1.371 1.00 1.42 H new ATOM 429 N ILE A 32 1.983 6.230 4.876 1.00 0.58 N ATOM 430 CA ILE A 32 1.010 5.144 4.849 1.00 0.56 C ATOM 431 C ILE A 32 -0.312 5.590 5.463 1.00 0.52 C ATOM 432 O ILE A 32 -1.385 5.263 4.955 1.00 0.51 O ATOM 433 CB ILE A 32 1.554 3.940 5.607 1.00 0.63 C ATOM 434 CG1 ILE A 32 2.000 4.347 7.010 1.00 0.70 C ATOM 435 CG2 ILE A 32 2.705 3.294 4.844 1.00 0.69 C ATOM 436 CD1 ILE A 32 2.631 3.179 7.760 1.00 1.07 C ATOM 0 H ILE A 32 2.893 5.970 5.257 1.00 0.58 H new ATOM 0 HA ILE A 32 0.832 4.865 3.810 1.00 0.56 H new ATOM 0 HB ILE A 32 0.754 3.206 5.699 1.00 0.63 H new ATOM 0 HG12 ILE A 32 2.716 5.166 6.941 1.00 0.70 H new ATOM 0 HG13 ILE A 32 1.143 4.720 7.571 1.00 0.70 H new ATOM 0 HG21 ILE A 32 3.077 2.437 5.405 1.00 0.69 H new ATOM 0 HG22 ILE A 32 2.354 2.964 3.867 1.00 0.69 H new ATOM 0 HG23 ILE A 32 3.508 4.019 4.715 1.00 0.69 H new ATOM 0 HD11 ILE A 32 2.936 3.507 8.754 1.00 1.07 H new ATOM 0 HD12 ILE A 32 1.906 2.371 7.851 1.00 1.07 H new ATOM 0 HD13 ILE A 32 3.503 2.823 7.212 1.00 1.07 H new ATOM 448 N ASN A 33 -0.228 6.337 6.558 1.00 0.56 N ATOM 449 CA ASN A 33 -1.417 6.828 7.245 1.00 0.59 C ATOM 450 C ASN A 33 -2.153 7.846 6.382 1.00 0.54 C ATOM 451 O ASN A 33 -3.384 7.851 6.324 1.00 0.55 O ATOM 452 CB ASN A 33 -1.027 7.461 8.577 1.00 0.71 C ATOM 453 CG ASN A 33 -1.986 7.017 9.672 1.00 0.97 C ATOM 454 OD1 ASN A 33 -2.565 7.844 10.377 1.00 1.51 O ATOM 455 ND2 ASN A 33 -2.156 5.708 9.817 1.00 1.62 N ATOM 0 H ASN A 33 0.653 6.616 6.990 1.00 0.56 H new ATOM 0 HA ASN A 33 -2.082 5.984 7.431 1.00 0.59 H new ATOM 0 HB2 ASN A 33 -0.008 7.176 8.839 1.00 0.71 H new ATOM 0 HB3 ASN A 33 -1.042 8.547 8.490 1.00 0.71 H new ATOM 0 HD21 ASN A 33 -2.787 5.352 10.535 1.00 1.62 H new ATOM 0 HD22 ASN A 33 -1.656 5.058 9.210 1.00 1.62 H new ATOM 462 N ARG A 34 -1.396 8.708 5.711 1.00 0.55 N ATOM 463 CA ARG A 34 -1.979 9.731 4.851 1.00 0.56 C ATOM 464 C ARG A 34 -2.901 9.097 3.817 1.00 0.48 C ATOM 465 O ARG A 34 -3.954 9.646 3.492 1.00 0.48 O ATOM 466 CB ARG A 34 -0.875 10.517 4.149 1.00 0.65 C ATOM 467 CG ARG A 34 -1.197 12.007 4.097 1.00 0.89 C ATOM 468 CD ARG A 34 -0.046 12.851 4.639 1.00 1.22 C ATOM 469 NE ARG A 34 -0.563 14.006 5.365 1.00 1.69 N ATOM 470 CZ ARG A 34 0.218 14.747 6.146 1.00 2.27 C ATOM 471 NH1 ARG A 34 1.106 15.571 5.609 1.00 2.78 N ATOM 472 NH2 ARG A 34 0.110 14.662 7.465 1.00 2.90 N ATOM 0 H ARG A 34 -0.377 8.718 5.746 1.00 0.55 H new ATOM 0 HA ARG A 34 -2.564 10.411 5.470 1.00 0.56 H new ATOM 0 HB2 ARG A 34 0.070 10.366 4.672 1.00 0.65 H new ATOM 0 HB3 ARG A 34 -0.743 10.136 3.136 1.00 0.65 H new ATOM 0 HG2 ARG A 34 -1.409 12.298 3.068 1.00 0.89 H new ATOM 0 HG3 ARG A 34 -2.099 12.205 4.677 1.00 0.89 H new ATOM 0 HD2 ARG A 34 0.577 12.247 5.299 1.00 1.22 H new ATOM 0 HD3 ARG A 34 0.588 13.184 3.817 1.00 1.22 H new ATOM 0 HE ARG A 34 -1.549 14.252 5.271 1.00 1.69 H new ATOM 0 HH11 ARG A 34 1.192 15.638 4.595 1.00 2.78 H new ATOM 0 HH12 ARG A 34 1.704 16.138 6.210 1.00 2.78 H new ATOM 0 HH21 ARG A 34 -0.572 14.028 7.881 1.00 2.90 H new ATOM 0 HH22 ARG A 34 0.709 15.230 8.063 1.00 2.90 H new ATOM 486 N ILE A 35 -2.500 7.939 3.303 1.00 0.45 N ATOM 487 CA ILE A 35 -3.290 7.227 2.305 1.00 0.40 C ATOM 488 C ILE A 35 -4.556 6.661 2.933 1.00 0.34 C ATOM 489 O ILE A 35 -5.667 6.964 2.497 1.00 0.34 O ATOM 490 CB ILE A 35 -2.462 6.099 1.699 1.00 0.41 C ATOM 491 CG1 ILE A 35 -1.090 6.613 1.271 1.00 0.54 C ATOM 492 CG2 ILE A 35 -3.188 5.464 0.517 1.00 0.40 C ATOM 493 CD1 ILE A 35 -1.208 7.810 0.333 1.00 1.29 C ATOM 0 H ILE A 35 -1.631 7.473 3.562 1.00 0.45 H new ATOM 0 HA ILE A 35 -3.574 7.927 1.519 1.00 0.40 H new ATOM 0 HB ILE A 35 -2.323 5.333 2.462 1.00 0.41 H new ATOM 0 HG12 ILE A 35 -0.515 6.896 2.153 1.00 0.54 H new ATOM 0 HG13 ILE A 35 -0.540 5.814 0.775 1.00 0.54 H new ATOM 0 HG21 ILE A 35 -2.577 4.662 0.103 1.00 0.40 H new ATOM 0 HG22 ILE A 35 -4.142 5.057 0.852 1.00 0.40 H new ATOM 0 HG23 ILE A 35 -3.365 6.219 -0.249 1.00 0.40 H new ATOM 0 HD11 ILE A 35 -0.212 8.149 0.049 1.00 1.29 H new ATOM 0 HD12 ILE A 35 -1.761 7.519 -0.560 1.00 1.29 H new ATOM 0 HD13 ILE A 35 -1.736 8.618 0.839 1.00 1.29 H new ATOM 505 N LYS A 36 -4.380 5.836 3.961 1.00 0.35 N ATOM 506 CA LYS A 36 -5.500 5.213 4.665 1.00 0.36 C ATOM 507 C LYS A 36 -6.610 6.222 4.933 1.00 0.39 C ATOM 508 O LYS A 36 -7.781 5.857 5.017 1.00 0.51 O ATOM 509 CB LYS A 36 -5.023 4.629 5.991 1.00 0.44 C ATOM 510 CG LYS A 36 -3.944 3.569 5.793 1.00 1.09 C ATOM 511 CD LYS A 36 -3.395 3.080 7.130 1.00 1.41 C ATOM 512 CE LYS A 36 -2.356 1.978 6.946 1.00 2.17 C ATOM 513 NZ LYS A 36 -1.840 1.499 8.258 1.00 2.76 N ATOM 0 H LYS A 36 -3.464 5.581 4.329 1.00 0.35 H new ATOM 0 HA LYS A 36 -5.894 4.419 4.031 1.00 0.36 H new ATOM 0 HB2 LYS A 36 -4.634 5.429 6.621 1.00 0.44 H new ATOM 0 HB3 LYS A 36 -5.869 4.190 6.520 1.00 0.44 H new ATOM 0 HG2 LYS A 36 -4.356 2.727 5.237 1.00 1.09 H new ATOM 0 HG3 LYS A 36 -3.133 3.981 5.193 1.00 1.09 H new ATOM 0 HD2 LYS A 36 -2.947 3.916 7.667 1.00 1.41 H new ATOM 0 HD3 LYS A 36 -4.214 2.708 7.745 1.00 1.41 H new ATOM 0 HE2 LYS A 36 -2.799 1.145 6.400 1.00 2.17 H new ATOM 0 HE3 LYS A 36 -1.529 2.351 6.342 1.00 2.17 H new ATOM 0 HZ1 LYS A 36 -1.135 0.750 8.102 1.00 2.76 H new ATOM 0 HZ2 LYS A 36 -1.397 2.291 8.767 1.00 2.76 H new ATOM 0 HZ3 LYS A 36 -2.627 1.121 8.824 1.00 2.76 H new ATOM 527 N ASP A 37 -6.238 7.488 5.077 1.00 0.40 N ATOM 528 CA ASP A 37 -7.205 8.544 5.347 1.00 0.45 C ATOM 529 C ASP A 37 -7.740 9.143 4.051 1.00 0.44 C ATOM 530 O ASP A 37 -8.949 9.173 3.822 1.00 0.60 O ATOM 531 CB ASP A 37 -6.557 9.632 6.189 1.00 0.51 C ATOM 532 CG ASP A 37 -7.472 10.027 7.341 1.00 0.82 C ATOM 533 OD1 ASP A 37 -8.704 9.886 7.198 1.00 1.56 O ATOM 534 OD2 ASP A 37 -6.954 10.475 8.385 1.00 1.37 O ATOM 0 H ASP A 37 -5.272 7.808 5.011 1.00 0.40 H new ATOM 0 HA ASP A 37 -8.042 8.109 5.893 1.00 0.45 H new ATOM 0 HB2 ASP A 37 -5.602 9.279 6.579 1.00 0.51 H new ATOM 0 HB3 ASP A 37 -6.345 10.503 5.569 1.00 0.51 H new ATOM 539 N GLN A 38 -6.833 9.629 3.210 1.00 0.41 N ATOM 540 CA GLN A 38 -7.213 10.239 1.939 1.00 0.46 C ATOM 541 C GLN A 38 -7.938 9.245 1.039 1.00 0.42 C ATOM 542 O GLN A 38 -8.663 9.642 0.127 1.00 0.68 O ATOM 543 CB GLN A 38 -5.979 10.768 1.227 1.00 0.54 C ATOM 544 CG GLN A 38 -6.360 11.703 0.084 1.00 0.65 C ATOM 545 CD GLN A 38 -7.277 12.816 0.575 1.00 1.05 C ATOM 546 OE1 GLN A 38 -8.382 12.996 0.062 1.00 1.65 O ATOM 547 NE2 GLN A 38 -6.820 13.564 1.572 1.00 1.66 N ATOM 0 H GLN A 38 -5.828 9.613 3.385 1.00 0.41 H new ATOM 0 HA GLN A 38 -7.894 11.063 2.154 1.00 0.46 H new ATOM 0 HB2 GLN A 38 -5.345 11.298 1.938 1.00 0.54 H new ATOM 0 HB3 GLN A 38 -5.394 9.934 0.839 1.00 0.54 H new ATOM 0 HG2 GLN A 38 -5.460 12.135 -0.354 1.00 0.65 H new ATOM 0 HG3 GLN A 38 -6.858 11.137 -0.704 1.00 0.65 H new ATOM 0 HE21 GLN A 38 -5.898 13.379 1.967 1.00 1.66 H new ATOM 0 HE22 GLN A 38 -7.391 14.323 1.943 1.00 1.66 H new ATOM 556 N TYR A 39 -7.738 7.955 1.289 1.00 0.34 N ATOM 557 CA TYR A 39 -8.376 6.919 0.483 1.00 0.34 C ATOM 558 C TYR A 39 -9.277 6.020 1.326 1.00 0.30 C ATOM 559 O TYR A 39 -9.969 5.156 0.788 1.00 0.32 O ATOM 560 CB TYR A 39 -7.314 6.070 -0.210 1.00 0.39 C ATOM 561 CG TYR A 39 -6.628 6.787 -1.345 1.00 0.46 C ATOM 562 CD1 TYR A 39 -5.622 7.701 -1.083 1.00 0.53 C ATOM 563 CD2 TYR A 39 -6.999 6.532 -2.654 1.00 0.64 C ATOM 564 CE1 TYR A 39 -4.991 8.357 -2.125 1.00 0.62 C ATOM 565 CE2 TYR A 39 -6.367 7.187 -3.695 1.00 0.73 C ATOM 566 CZ TYR A 39 -5.366 8.097 -3.426 1.00 0.66 C ATOM 567 OH TYR A 39 -4.738 8.749 -4.462 1.00 0.77 O ATOM 0 H TYR A 39 -7.143 7.603 2.039 1.00 0.34 H new ATOM 0 HA TYR A 39 -8.997 7.417 -0.261 1.00 0.34 H new ATOM 0 HB2 TYR A 39 -6.567 5.765 0.523 1.00 0.39 H new ATOM 0 HB3 TYR A 39 -7.777 5.160 -0.591 1.00 0.39 H new ATOM 0 HD1 TYR A 39 -5.329 7.902 -0.063 1.00 0.53 H new ATOM 0 HD2 TYR A 39 -7.784 5.820 -2.863 1.00 0.64 H new ATOM 0 HE1 TYR A 39 -4.207 9.071 -1.920 1.00 0.62 H new ATOM 0 HE2 TYR A 39 -6.656 6.987 -4.716 1.00 0.73 H new ATOM 0 HH TYR A 39 -5.119 8.452 -5.315 1.00 0.77 H new ATOM 577 N LYS A 40 -9.270 6.208 2.644 1.00 0.28 N ATOM 578 CA LYS A 40 -10.093 5.387 3.525 1.00 0.31 C ATOM 579 C LYS A 40 -9.765 3.914 3.307 1.00 0.29 C ATOM 580 O LYS A 40 -10.661 3.085 3.155 1.00 0.39 O ATOM 581 CB LYS A 40 -11.572 5.640 3.242 1.00 0.38 C ATOM 582 CG LYS A 40 -11.949 7.098 3.486 1.00 0.86 C ATOM 583 CD LYS A 40 -13.439 7.252 3.777 1.00 1.29 C ATOM 584 CE LYS A 40 -14.293 6.624 2.680 1.00 1.88 C ATOM 585 NZ LYS A 40 -15.408 7.527 2.277 1.00 2.56 N ATOM 0 H LYS A 40 -8.709 6.914 3.120 1.00 0.28 H new ATOM 0 HA LYS A 40 -9.883 5.651 4.561 1.00 0.31 H new ATOM 0 HB2 LYS A 40 -11.796 5.374 2.209 1.00 0.38 H new ATOM 0 HB3 LYS A 40 -12.180 4.995 3.877 1.00 0.38 H new ATOM 0 HG2 LYS A 40 -11.372 7.488 4.324 1.00 0.86 H new ATOM 0 HG3 LYS A 40 -11.685 7.694 2.612 1.00 0.86 H new ATOM 0 HD2 LYS A 40 -13.674 6.785 4.734 1.00 1.29 H new ATOM 0 HD3 LYS A 40 -13.685 8.310 3.870 1.00 1.29 H new ATOM 0 HE2 LYS A 40 -13.670 6.403 1.813 1.00 1.88 H new ATOM 0 HE3 LYS A 40 -14.699 5.675 3.031 1.00 1.88 H new ATOM 0 HZ1 LYS A 40 -15.970 7.072 1.530 1.00 2.56 H new ATOM 0 HZ2 LYS A 40 -16.015 7.718 3.100 1.00 2.56 H new ATOM 0 HZ3 LYS A 40 -15.018 8.422 1.920 1.00 2.56 H new ATOM 599 N VAL A 41 -8.472 3.603 3.279 1.00 0.23 N ATOM 600 CA VAL A 41 -8.014 2.235 3.060 1.00 0.23 C ATOM 601 C VAL A 41 -6.970 1.837 4.097 1.00 0.27 C ATOM 602 O VAL A 41 -6.702 2.580 5.042 1.00 0.33 O ATOM 603 CB VAL A 41 -7.419 2.117 1.661 1.00 0.23 C ATOM 604 CG1 VAL A 41 -8.488 2.344 0.603 1.00 0.25 C ATOM 605 CG2 VAL A 41 -6.272 3.107 1.477 1.00 0.23 C ATOM 0 H VAL A 41 -7.721 4.282 3.406 1.00 0.23 H new ATOM 0 HA VAL A 41 -8.867 1.564 3.158 1.00 0.23 H new ATOM 0 HB VAL A 41 -7.025 1.107 1.544 1.00 0.23 H new ATOM 0 HG11 VAL A 41 -8.043 2.256 -0.388 1.00 0.25 H new ATOM 0 HG12 VAL A 41 -9.275 1.599 0.715 1.00 0.25 H new ATOM 0 HG13 VAL A 41 -8.912 3.341 0.723 1.00 0.25 H new ATOM 0 HG21 VAL A 41 -5.862 3.006 0.472 1.00 0.23 H new ATOM 0 HG22 VAL A 41 -6.642 4.123 1.618 1.00 0.23 H new ATOM 0 HG23 VAL A 41 -5.492 2.900 2.210 1.00 0.23 H new ATOM 615 N SER A 42 -6.383 0.658 3.909 1.00 0.29 N ATOM 616 CA SER A 42 -5.362 0.151 4.819 1.00 0.34 C ATOM 617 C SER A 42 -4.142 -0.321 4.035 1.00 0.30 C ATOM 618 O SER A 42 -4.137 -1.420 3.480 1.00 0.36 O ATOM 619 CB SER A 42 -5.926 -1.000 5.644 1.00 0.43 C ATOM 620 OG SER A 42 -5.107 -1.241 6.779 1.00 0.93 O ATOM 0 H SER A 42 -6.599 0.034 3.131 1.00 0.29 H new ATOM 0 HA SER A 42 -5.059 0.956 5.489 1.00 0.34 H new ATOM 0 HB2 SER A 42 -6.941 -0.764 5.963 1.00 0.43 H new ATOM 0 HB3 SER A 42 -5.985 -1.900 5.032 1.00 0.43 H new ATOM 0 HG SER A 42 -5.481 -1.981 7.301 1.00 0.93 H new ATOM 626 N VAL A 43 -3.111 0.518 3.993 1.00 0.33 N ATOM 627 CA VAL A 43 -1.882 0.188 3.277 1.00 0.34 C ATOM 628 C VAL A 43 -0.733 -0.005 4.259 1.00 0.35 C ATOM 629 O VAL A 43 -0.602 0.741 5.228 1.00 0.55 O ATOM 630 CB VAL A 43 -1.541 1.299 2.287 1.00 0.49 C ATOM 631 CG1 VAL A 43 -1.459 2.649 2.995 1.00 1.25 C ATOM 632 CG2 VAL A 43 -0.236 0.993 1.557 1.00 0.54 C ATOM 0 H VAL A 43 -3.102 1.432 4.446 1.00 0.33 H new ATOM 0 HA VAL A 43 -2.035 -0.742 2.730 1.00 0.34 H new ATOM 0 HB VAL A 43 -2.340 1.350 1.548 1.00 0.49 H new ATOM 0 HG11 VAL A 43 -1.215 3.426 2.270 1.00 1.25 H new ATOM 0 HG12 VAL A 43 -2.419 2.875 3.460 1.00 1.25 H new ATOM 0 HG13 VAL A 43 -0.685 2.612 3.761 1.00 1.25 H new ATOM 0 HG21 VAL A 43 -0.013 1.798 0.857 1.00 0.54 H new ATOM 0 HG22 VAL A 43 0.574 0.907 2.281 1.00 0.54 H new ATOM 0 HG23 VAL A 43 -0.336 0.055 1.011 1.00 0.54 H new ATOM 642 N ARG A 44 0.099 -1.013 4.006 1.00 0.31 N ATOM 643 CA ARG A 44 1.233 -1.302 4.875 1.00 0.42 C ATOM 644 C ARG A 44 2.470 -1.667 4.063 1.00 0.40 C ATOM 645 O ARG A 44 2.395 -2.438 3.104 1.00 0.41 O ATOM 646 CB ARG A 44 0.884 -2.445 5.825 1.00 0.52 C ATOM 647 CG ARG A 44 0.381 -1.924 7.167 1.00 0.78 C ATOM 648 CD ARG A 44 -0.905 -2.622 7.595 1.00 1.05 C ATOM 649 NE ARG A 44 -1.076 -2.529 9.039 1.00 1.31 N ATOM 650 CZ ARG A 44 -1.186 -3.612 9.800 1.00 1.74 C ATOM 651 NH1 ARG A 44 -0.253 -4.553 9.757 1.00 2.27 N ATOM 652 NH2 ARG A 44 -2.229 -3.755 10.607 1.00 2.28 N ATOM 0 H ARG A 44 0.008 -1.641 3.208 1.00 0.31 H new ATOM 0 HA ARG A 44 1.455 -0.404 5.451 1.00 0.42 H new ATOM 0 HB2 ARG A 44 0.121 -3.077 5.370 1.00 0.52 H new ATOM 0 HB3 ARG A 44 1.763 -3.070 5.983 1.00 0.52 H new ATOM 0 HG2 ARG A 44 1.148 -2.075 7.927 1.00 0.78 H new ATOM 0 HG3 ARG A 44 0.207 -0.850 7.099 1.00 0.78 H new ATOM 0 HD2 ARG A 44 -1.758 -2.168 7.091 1.00 1.05 H new ATOM 0 HD3 ARG A 44 -0.876 -3.669 7.292 1.00 1.05 H new ATOM 0 HE ARG A 44 -1.112 -1.608 9.477 1.00 1.31 H new ATOM 0 HH11 ARG A 44 0.551 -4.446 9.139 1.00 2.27 H new ATOM 0 HH12 ARG A 44 -0.339 -5.384 10.342 1.00 2.27 H new ATOM 0 HH21 ARG A 44 -2.948 -3.033 10.644 1.00 2.28 H new ATOM 0 HH22 ARG A 44 -2.312 -4.587 11.191 1.00 2.28 H new ATOM 666 N ILE A 45 3.611 -1.109 4.460 1.00 0.46 N ATOM 667 CA ILE A 45 4.880 -1.365 3.786 1.00 0.47 C ATOM 668 C ILE A 45 5.708 -2.364 4.600 1.00 0.53 C ATOM 669 O ILE A 45 6.363 -1.991 5.573 1.00 0.64 O ATOM 670 CB ILE A 45 5.634 -0.036 3.601 1.00 0.56 C ATOM 671 CG1 ILE A 45 5.028 0.759 2.444 1.00 0.59 C ATOM 672 CG2 ILE A 45 7.136 -0.241 3.376 1.00 0.60 C ATOM 673 CD1 ILE A 45 5.396 0.161 1.085 1.00 0.56 C ATOM 0 H ILE A 45 3.682 -0.471 5.253 1.00 0.46 H new ATOM 0 HA ILE A 45 4.699 -1.800 2.803 1.00 0.47 H new ATOM 0 HB ILE A 45 5.523 0.528 4.527 1.00 0.56 H new ATOM 0 HG12 ILE A 45 3.943 0.782 2.549 1.00 0.59 H new ATOM 0 HG13 ILE A 45 5.375 1.791 2.492 1.00 0.59 H new ATOM 0 HG21 ILE A 45 7.621 0.727 3.251 1.00 0.60 H new ATOM 0 HG22 ILE A 45 7.566 -0.754 4.236 1.00 0.60 H new ATOM 0 HG23 ILE A 45 7.291 -0.842 2.480 1.00 0.60 H new ATOM 0 HD11 ILE A 45 4.945 0.757 0.291 1.00 0.56 H new ATOM 0 HD12 ILE A 45 6.480 0.162 0.968 1.00 0.56 H new ATOM 0 HD13 ILE A 45 5.026 -0.863 1.026 1.00 0.56 H new ATOM 685 N PRO A 46 5.691 -3.651 4.207 1.00 0.48 N ATOM 686 CA PRO A 46 6.449 -4.696 4.907 1.00 0.58 C ATOM 687 C PRO A 46 7.947 -4.614 4.613 1.00 0.61 C ATOM 688 O PRO A 46 8.380 -4.877 3.491 1.00 0.56 O ATOM 689 CB PRO A 46 5.856 -5.994 4.363 1.00 0.57 C ATOM 690 CG PRO A 46 5.298 -5.644 3.024 1.00 0.47 C ATOM 691 CD PRO A 46 4.940 -4.182 3.057 1.00 0.41 C ATOM 0 HA PRO A 46 6.369 -4.607 5.990 1.00 0.58 H new ATOM 0 HB2 PRO A 46 6.617 -6.770 4.281 1.00 0.57 H new ATOM 0 HB3 PRO A 46 5.079 -6.379 5.024 1.00 0.57 H new ATOM 0 HG2 PRO A 46 6.028 -5.843 2.239 1.00 0.47 H new ATOM 0 HG3 PRO A 46 4.419 -6.250 2.803 1.00 0.47 H new ATOM 0 HD2 PRO A 46 5.224 -3.682 2.131 1.00 0.41 H new ATOM 0 HD3 PRO A 46 3.867 -4.038 3.181 1.00 0.41 H new ATOM 699 N PRO A 47 8.760 -4.247 5.619 1.00 0.74 N ATOM 700 CA PRO A 47 10.208 -4.136 5.452 1.00 0.81 C ATOM 701 C PRO A 47 10.903 -5.486 5.588 1.00 0.87 C ATOM 702 O PRO A 47 11.810 -5.810 4.821 1.00 1.53 O ATOM 703 CB PRO A 47 10.621 -3.184 6.570 1.00 0.98 C ATOM 704 CG PRO A 47 9.569 -3.314 7.626 1.00 1.03 C ATOM 705 CD PRO A 47 8.337 -3.913 6.988 1.00 0.85 C ATOM 0 HA PRO A 47 10.487 -3.779 4.461 1.00 0.81 H new ATOM 0 HB2 PRO A 47 11.604 -3.445 6.963 1.00 0.98 H new ATOM 0 HB3 PRO A 47 10.685 -2.158 6.206 1.00 0.98 H new ATOM 0 HG2 PRO A 47 9.922 -3.947 8.440 1.00 1.03 H new ATOM 0 HG3 PRO A 47 9.339 -2.339 8.057 1.00 1.03 H new ATOM 0 HD2 PRO A 47 8.001 -4.799 7.527 1.00 0.85 H new ATOM 0 HD3 PRO A 47 7.507 -3.207 6.986 1.00 0.85 H new ATOM 713 N ASP A 48 10.468 -6.271 6.569 1.00 1.32 N ATOM 714 CA ASP A 48 11.044 -7.588 6.811 1.00 1.46 C ATOM 715 C ASP A 48 10.715 -8.533 5.661 1.00 1.48 C ATOM 716 O ASP A 48 9.705 -9.237 5.693 1.00 2.18 O ATOM 717 CB ASP A 48 10.510 -8.158 8.121 1.00 2.16 C ATOM 718 CG ASP A 48 9.414 -7.260 8.680 1.00 2.56 C ATOM 719 OD1 ASP A 48 8.543 -6.827 7.897 1.00 3.01 O ATOM 720 OD2 ASP A 48 9.429 -6.991 9.900 1.00 3.03 O ATOM 0 H ASP A 48 9.717 -6.016 7.210 1.00 1.32 H new ATOM 0 HA ASP A 48 12.127 -7.486 6.880 1.00 1.46 H new ATOM 0 HB2 ASP A 48 10.118 -9.162 7.956 1.00 2.16 H new ATOM 0 HB3 ASP A 48 11.321 -8.247 8.844 1.00 2.16 H new ATOM 725 N SER A 49 11.574 -8.544 4.647 1.00 1.59 N ATOM 726 CA SER A 49 11.377 -9.402 3.485 1.00 2.11 C ATOM 727 C SER A 49 12.653 -9.482 2.656 1.00 1.90 C ATOM 728 O SER A 49 13.500 -8.592 2.717 1.00 2.33 O ATOM 729 CB SER A 49 10.235 -8.864 2.627 1.00 3.03 C ATOM 730 OG SER A 49 9.998 -7.496 2.915 1.00 3.81 O ATOM 0 H SER A 49 12.414 -7.967 4.607 1.00 1.59 H new ATOM 0 HA SER A 49 11.124 -10.403 3.833 1.00 2.11 H new ATOM 0 HB2 SER A 49 10.479 -8.982 1.571 1.00 3.03 H new ATOM 0 HB3 SER A 49 9.330 -9.443 2.812 1.00 3.03 H new ATOM 0 HG SER A 49 9.264 -7.166 2.356 1.00 3.81 H new ATOM 736 N GLU A 50 12.784 -10.553 1.880 1.00 1.92 N ATOM 737 CA GLU A 50 13.957 -10.749 1.036 1.00 2.27 C ATOM 738 C GLU A 50 13.558 -11.344 -0.308 1.00 2.09 C ATOM 739 O GLU A 50 13.927 -10.826 -1.362 1.00 2.74 O ATOM 740 CB GLU A 50 14.957 -11.667 1.734 1.00 3.06 C ATOM 741 CG GLU A 50 16.247 -10.930 2.082 1.00 3.83 C ATOM 742 CD GLU A 50 16.444 -9.739 1.154 1.00 4.43 C ATOM 743 OE1 GLU A 50 16.745 -9.957 -0.038 1.00 4.97 O ATOM 744 OE2 GLU A 50 16.298 -8.589 1.620 1.00 4.75 O ATOM 0 H GLU A 50 12.091 -11.299 1.818 1.00 1.92 H new ATOM 0 HA GLU A 50 14.422 -9.779 0.862 1.00 2.27 H new ATOM 0 HB2 GLU A 50 14.510 -12.069 2.643 1.00 3.06 H new ATOM 0 HB3 GLU A 50 15.185 -12.516 1.089 1.00 3.06 H new ATOM 0 HG2 GLU A 50 16.212 -10.591 3.117 1.00 3.83 H new ATOM 0 HG3 GLU A 50 17.095 -11.609 1.998 1.00 3.83 H new ATOM 751 N LYS A 51 12.800 -12.436 -0.266 1.00 1.76 N ATOM 752 CA LYS A 51 12.351 -13.103 -1.482 1.00 1.77 C ATOM 753 C LYS A 51 11.636 -12.119 -2.401 1.00 1.55 C ATOM 754 O LYS A 51 11.941 -12.032 -3.590 1.00 2.20 O ATOM 755 CB LYS A 51 11.420 -14.261 -1.130 1.00 2.14 C ATOM 756 CG LYS A 51 11.989 -15.599 -1.595 1.00 2.60 C ATOM 757 CD LYS A 51 10.937 -16.704 -1.550 1.00 3.36 C ATOM 758 CE LYS A 51 11.355 -17.842 -0.622 1.00 4.12 C ATOM 759 NZ LYS A 51 10.752 -19.136 -1.044 1.00 4.81 N ATOM 0 H LYS A 51 12.484 -12.877 0.598 1.00 1.76 H new ATOM 0 HA LYS A 51 13.224 -13.493 -2.005 1.00 1.77 H new ATOM 0 HB2 LYS A 51 11.262 -14.287 -0.052 1.00 2.14 H new ATOM 0 HB3 LYS A 51 10.446 -14.099 -1.591 1.00 2.14 H new ATOM 0 HG2 LYS A 51 12.369 -15.499 -2.612 1.00 2.60 H new ATOM 0 HG3 LYS A 51 12.834 -15.875 -0.964 1.00 2.60 H new ATOM 0 HD2 LYS A 51 9.987 -16.289 -1.213 1.00 3.36 H new ATOM 0 HD3 LYS A 51 10.775 -17.094 -2.555 1.00 3.36 H new ATOM 0 HE2 LYS A 51 12.441 -17.929 -0.617 1.00 4.12 H new ATOM 0 HE3 LYS A 51 11.049 -17.612 0.399 1.00 4.12 H new ATOM 0 HZ1 LYS A 51 11.055 -19.889 -0.394 1.00 4.81 H new ATOM 0 HZ2 LYS A 51 9.715 -19.059 -1.025 1.00 4.81 H new ATOM 0 HZ3 LYS A 51 11.064 -19.366 -2.009 1.00 4.81 H new ATOM 773 N SER A 52 10.683 -11.379 -1.844 1.00 1.19 N ATOM 774 CA SER A 52 9.924 -10.399 -2.614 1.00 1.04 C ATOM 775 C SER A 52 9.376 -9.308 -1.701 1.00 0.92 C ATOM 776 O SER A 52 9.288 -9.488 -0.486 1.00 1.19 O ATOM 777 CB SER A 52 8.777 -11.088 -3.347 1.00 1.25 C ATOM 778 OG SER A 52 9.165 -12.386 -3.771 1.00 2.03 O ATOM 0 H SER A 52 10.417 -11.439 -0.861 1.00 1.19 H new ATOM 0 HA SER A 52 10.591 -9.939 -3.343 1.00 1.04 H new ATOM 0 HB2 SER A 52 7.909 -11.158 -2.692 1.00 1.25 H new ATOM 0 HB3 SER A 52 8.478 -10.492 -4.209 1.00 1.25 H new ATOM 0 HG SER A 52 8.418 -12.815 -4.238 1.00 2.03 H new ATOM 784 N ASN A 53 9.011 -8.176 -2.294 1.00 0.68 N ATOM 785 CA ASN A 53 8.471 -7.052 -1.535 1.00 0.61 C ATOM 786 C ASN A 53 7.026 -6.781 -1.934 1.00 0.59 C ATOM 787 O ASN A 53 6.729 -5.798 -2.610 1.00 0.99 O ATOM 788 CB ASN A 53 9.323 -5.808 -1.774 1.00 0.60 C ATOM 789 CG ASN A 53 9.975 -5.356 -0.473 1.00 0.89 C ATOM 790 OD1 ASN A 53 9.996 -4.166 -0.158 1.00 1.68 O ATOM 791 ND2 ASN A 53 10.509 -6.307 0.283 1.00 1.28 N ATOM 0 H ASN A 53 9.079 -8.012 -3.298 1.00 0.68 H new ATOM 0 HA ASN A 53 8.494 -7.304 -0.475 1.00 0.61 H new ATOM 0 HB2 ASN A 53 10.090 -6.022 -2.518 1.00 0.60 H new ATOM 0 HB3 ASN A 53 8.704 -5.006 -2.176 1.00 0.60 H new ATOM 0 HD21 ASN A 53 10.960 -6.064 1.165 1.00 1.28 H new ATOM 0 HD22 ASN A 53 10.468 -7.281 -0.018 1.00 1.28 H new ATOM 798 N LEU A 54 6.127 -7.661 -1.509 1.00 0.55 N ATOM 799 CA LEU A 54 4.710 -7.517 -1.821 1.00 0.51 C ATOM 800 C LEU A 54 4.023 -6.636 -0.786 1.00 0.44 C ATOM 801 O LEU A 54 3.818 -7.050 0.355 1.00 0.57 O ATOM 802 CB LEU A 54 4.044 -8.890 -1.859 1.00 0.65 C ATOM 803 CG LEU A 54 3.744 -9.329 -3.291 1.00 0.82 C ATOM 804 CD1 LEU A 54 4.544 -10.577 -3.651 1.00 1.49 C ATOM 805 CD2 LEU A 54 2.249 -9.574 -3.479 1.00 1.49 C ATOM 0 H LEU A 54 6.354 -8.482 -0.947 1.00 0.55 H new ATOM 0 HA LEU A 54 4.615 -7.045 -2.799 1.00 0.51 H new ATOM 0 HB2 LEU A 54 4.693 -9.624 -1.381 1.00 0.65 H new ATOM 0 HB3 LEU A 54 3.118 -8.862 -1.285 1.00 0.65 H new ATOM 0 HG LEU A 54 4.045 -8.525 -3.963 1.00 0.82 H new ATOM 0 HD11 LEU A 54 4.316 -10.873 -4.675 1.00 1.49 H new ATOM 0 HD12 LEU A 54 5.609 -10.364 -3.564 1.00 1.49 H new ATOM 0 HD13 LEU A 54 4.279 -11.387 -2.972 1.00 1.49 H new ATOM 0 HD21 LEU A 54 2.058 -9.886 -4.506 1.00 1.49 H new ATOM 0 HD22 LEU A 54 1.920 -10.356 -2.795 1.00 1.49 H new ATOM 0 HD23 LEU A 54 1.701 -8.655 -3.271 1.00 1.49 H new ATOM 817 N ILE A 55 3.666 -5.419 -1.188 1.00 0.31 N ATOM 818 CA ILE A 55 2.999 -4.485 -0.288 1.00 0.26 C ATOM 819 C ILE A 55 1.580 -4.949 0.001 1.00 0.27 C ATOM 820 O ILE A 55 0.910 -5.508 -0.870 1.00 0.34 O ATOM 821 CB ILE A 55 2.978 -3.089 -0.901 1.00 0.27 C ATOM 822 CG1 ILE A 55 4.391 -2.645 -1.276 1.00 0.31 C ATOM 823 CG2 ILE A 55 2.335 -2.090 0.055 1.00 0.31 C ATOM 824 CD1 ILE A 55 4.405 -1.230 -1.846 1.00 0.35 C ATOM 0 H ILE A 55 3.827 -5.058 -2.128 1.00 0.31 H new ATOM 0 HA ILE A 55 3.553 -4.451 0.650 1.00 0.26 H new ATOM 0 HB ILE A 55 2.378 -3.124 -1.810 1.00 0.27 H new ATOM 0 HG12 ILE A 55 5.032 -2.689 -0.396 1.00 0.31 H new ATOM 0 HG13 ILE A 55 4.807 -3.337 -2.008 1.00 0.31 H new ATOM 0 HG21 ILE A 55 2.330 -1.100 -0.402 1.00 0.31 H new ATOM 0 HG22 ILE A 55 1.311 -2.397 0.267 1.00 0.31 H new ATOM 0 HG23 ILE A 55 2.904 -2.058 0.984 1.00 0.31 H new ATOM 0 HD11 ILE A 55 5.427 -0.950 -2.101 1.00 0.35 H new ATOM 0 HD12 ILE A 55 3.785 -1.192 -2.742 1.00 0.35 H new ATOM 0 HD13 ILE A 55 4.013 -0.535 -1.104 1.00 0.35 H new ATOM 836 N ARG A 56 1.130 -4.723 1.232 1.00 0.29 N ATOM 837 CA ARG A 56 -0.208 -5.132 1.644 1.00 0.32 C ATOM 838 C ARG A 56 -1.191 -3.971 1.554 1.00 0.29 C ATOM 839 O ARG A 56 -0.929 -2.879 2.055 1.00 0.42 O ATOM 840 CB ARG A 56 -0.182 -5.664 3.076 1.00 0.42 C ATOM 841 CG ARG A 56 1.088 -6.463 3.373 1.00 0.55 C ATOM 842 CD ARG A 56 1.365 -7.513 2.303 1.00 0.84 C ATOM 843 NE ARG A 56 1.179 -8.853 2.844 1.00 1.44 N ATOM 844 CZ ARG A 56 -0.027 -9.399 2.964 1.00 1.77 C ATOM 845 NH1 ARG A 56 -0.642 -9.893 1.898 1.00 2.33 N ATOM 846 NH2 ARG A 56 -0.619 -9.450 4.149 1.00 2.19 N ATOM 0 H ARG A 56 1.672 -4.259 1.961 1.00 0.29 H new ATOM 0 HA ARG A 56 -0.537 -5.921 0.967 1.00 0.32 H new ATOM 0 HB2 ARG A 56 -0.255 -4.829 3.773 1.00 0.42 H new ATOM 0 HB3 ARG A 56 -1.054 -6.296 3.243 1.00 0.42 H new ATOM 0 HG2 ARG A 56 1.937 -5.783 3.442 1.00 0.55 H new ATOM 0 HG3 ARG A 56 0.991 -6.951 4.343 1.00 0.55 H new ATOM 0 HD2 ARG A 56 0.698 -7.361 1.454 1.00 0.84 H new ATOM 0 HD3 ARG A 56 2.384 -7.402 1.931 1.00 0.84 H new ATOM 0 HE ARG A 56 1.997 -9.387 3.139 1.00 1.44 H new ATOM 0 HH11 ARG A 56 -0.190 -9.854 0.985 1.00 2.33 H new ATOM 0 HH12 ARG A 56 -1.567 -10.312 1.991 1.00 2.33 H new ATOM 0 HH21 ARG A 56 -0.149 -9.070 4.971 1.00 2.19 H new ATOM 0 HH22 ARG A 56 -1.544 -9.869 4.239 1.00 2.19 H new ATOM 860 N ILE A 57 -2.331 -4.228 0.922 1.00 0.24 N ATOM 861 CA ILE A 57 -3.377 -3.224 0.769 1.00 0.24 C ATOM 862 C ILE A 57 -4.740 -3.860 1.007 1.00 0.26 C ATOM 863 O ILE A 57 -4.934 -5.043 0.733 1.00 0.40 O ATOM 864 CB ILE A 57 -3.328 -2.620 -0.630 1.00 0.26 C ATOM 865 CG1 ILE A 57 -1.890 -2.301 -1.030 1.00 0.28 C ATOM 866 CG2 ILE A 57 -4.195 -1.368 -0.709 1.00 0.35 C ATOM 867 CD1 ILE A 57 -1.252 -1.298 -0.074 1.00 1.32 C ATOM 0 H ILE A 57 -2.555 -5.131 0.504 1.00 0.24 H new ATOM 0 HA ILE A 57 -3.215 -2.432 1.501 1.00 0.24 H new ATOM 0 HB ILE A 57 -3.724 -3.355 -1.330 1.00 0.26 H new ATOM 0 HG12 ILE A 57 -1.302 -3.219 -1.041 1.00 0.28 H new ATOM 0 HG13 ILE A 57 -1.874 -1.900 -2.043 1.00 0.28 H new ATOM 0 HG21 ILE A 57 -4.145 -0.954 -1.716 1.00 0.35 H new ATOM 0 HG22 ILE A 57 -5.228 -1.625 -0.473 1.00 0.35 H new ATOM 0 HG23 ILE A 57 -3.833 -0.629 0.006 1.00 0.35 H new ATOM 0 HD11 ILE A 57 -0.229 -1.095 -0.390 1.00 1.32 H new ATOM 0 HD12 ILE A 57 -1.826 -0.371 -0.083 1.00 1.32 H new ATOM 0 HD13 ILE A 57 -1.245 -1.711 0.935 1.00 1.32 H new ATOM 879 N GLU A 58 -5.683 -3.077 1.518 1.00 0.23 N ATOM 880 CA GLU A 58 -7.023 -3.586 1.785 1.00 0.25 C ATOM 881 C GLU A 58 -7.919 -2.495 2.351 1.00 0.24 C ATOM 882 O GLU A 58 -7.516 -1.731 3.228 1.00 0.26 O ATOM 883 CB GLU A 58 -6.952 -4.756 2.762 1.00 0.32 C ATOM 884 CG GLU A 58 -8.337 -5.319 3.072 1.00 0.37 C ATOM 885 CD GLU A 58 -8.340 -5.998 4.434 1.00 0.82 C ATOM 886 OE1 GLU A 58 -7.918 -5.357 5.420 1.00 1.47 O ATOM 887 OE2 GLU A 58 -8.763 -7.171 4.515 1.00 1.56 O ATOM 0 H GLU A 58 -5.546 -2.094 1.754 1.00 0.23 H new ATOM 0 HA GLU A 58 -7.451 -3.927 0.842 1.00 0.25 H new ATOM 0 HB2 GLU A 58 -6.325 -5.543 2.342 1.00 0.32 H new ATOM 0 HB3 GLU A 58 -6.477 -4.429 3.687 1.00 0.32 H new ATOM 0 HG2 GLU A 58 -9.075 -4.517 3.057 1.00 0.37 H new ATOM 0 HG3 GLU A 58 -8.627 -6.033 2.302 1.00 0.37 H new ATOM 894 N GLY A 59 -9.142 -2.437 1.838 1.00 0.25 N ATOM 895 CA GLY A 59 -10.125 -1.454 2.273 1.00 0.27 C ATOM 896 C GLY A 59 -11.527 -1.984 2.022 1.00 0.39 C ATOM 897 O GLY A 59 -11.917 -3.013 2.576 1.00 0.59 O ATOM 0 H GLY A 59 -9.479 -3.068 1.111 1.00 0.25 H new ATOM 0 HA2 GLY A 59 -9.992 -1.238 3.333 1.00 0.27 H new ATOM 0 HA3 GLY A 59 -9.979 -0.517 1.736 1.00 0.27 H new ATOM 901 N ASP A 60 -12.278 -1.297 1.171 1.00 0.53 N ATOM 902 CA ASP A 60 -13.628 -1.731 0.846 1.00 0.70 C ATOM 903 C ASP A 60 -14.121 -1.075 -0.437 1.00 0.59 C ATOM 904 O ASP A 60 -14.321 -1.750 -1.447 1.00 1.04 O ATOM 905 CB ASP A 60 -14.578 -1.425 2.000 1.00 1.22 C ATOM 906 CG ASP A 60 -14.853 -2.687 2.808 1.00 1.93 C ATOM 907 OD1 ASP A 60 -14.059 -2.992 3.723 1.00 2.31 O ATOM 908 OD2 ASP A 60 -15.863 -3.365 2.526 1.00 2.66 O ATOM 0 H ASP A 60 -11.978 -0.445 0.698 1.00 0.53 H new ATOM 0 HA ASP A 60 -13.607 -2.809 0.687 1.00 0.70 H new ATOM 0 HB2 ASP A 60 -14.144 -0.660 2.644 1.00 1.22 H new ATOM 0 HB3 ASP A 60 -15.514 -1.022 1.612 1.00 1.22 H new ATOM 913 N PRO A 61 -14.321 0.252 -0.428 1.00 0.72 N ATOM 914 CA PRO A 61 -14.787 0.971 -1.616 1.00 1.14 C ATOM 915 C PRO A 61 -13.692 1.081 -2.666 1.00 0.88 C ATOM 916 O PRO A 61 -12.620 0.493 -2.522 1.00 1.22 O ATOM 917 CB PRO A 61 -15.177 2.344 -1.077 1.00 1.82 C ATOM 918 CG PRO A 61 -14.364 2.523 0.161 1.00 1.82 C ATOM 919 CD PRO A 61 -14.102 1.150 0.720 1.00 1.17 C ATOM 0 HA PRO A 61 -15.612 0.463 -2.116 1.00 1.14 H new ATOM 0 HB2 PRO A 61 -14.965 3.128 -1.804 1.00 1.82 H new ATOM 0 HB3 PRO A 61 -16.244 2.393 -0.858 1.00 1.82 H new ATOM 0 HG2 PRO A 61 -13.427 3.033 -0.064 1.00 1.82 H new ATOM 0 HG3 PRO A 61 -14.896 3.139 0.886 1.00 1.82 H new ATOM 0 HD2 PRO A 61 -13.087 1.063 1.107 1.00 1.17 H new ATOM 0 HD3 PRO A 61 -14.778 0.918 1.543 1.00 1.17 H new ATOM 927 N GLN A 62 -13.959 1.845 -3.718 1.00 0.64 N ATOM 928 CA GLN A 62 -12.986 2.037 -4.784 1.00 0.47 C ATOM 929 C GLN A 62 -11.676 2.582 -4.217 1.00 0.41 C ATOM 930 O GLN A 62 -10.623 2.460 -4.840 1.00 0.47 O ATOM 931 CB GLN A 62 -13.545 3.001 -5.827 1.00 0.69 C ATOM 932 CG GLN A 62 -14.763 2.414 -6.534 1.00 0.85 C ATOM 933 CD GLN A 62 -15.075 3.205 -7.797 1.00 1.34 C ATOM 934 OE1 GLN A 62 -16.188 3.700 -7.973 1.00 2.14 O ATOM 935 NE2 GLN A 62 -14.090 3.325 -8.679 1.00 1.73 N ATOM 0 H GLN A 62 -14.840 2.341 -3.855 1.00 0.64 H new ATOM 0 HA GLN A 62 -12.787 1.075 -5.256 1.00 0.47 H new ATOM 0 HB2 GLN A 62 -13.819 3.940 -5.346 1.00 0.69 H new ATOM 0 HB3 GLN A 62 -12.773 3.232 -6.561 1.00 0.69 H new ATOM 0 HG2 GLN A 62 -14.577 1.370 -6.787 1.00 0.85 H new ATOM 0 HG3 GLN A 62 -15.623 2.431 -5.865 1.00 0.85 H new ATOM 0 HE21 GLN A 62 -13.183 2.898 -8.492 1.00 1.73 H new ATOM 0 HE22 GLN A 62 -14.240 3.844 -9.544 1.00 1.73 H new ATOM 944 N GLY A 63 -11.749 3.185 -3.033 1.00 0.37 N ATOM 945 CA GLY A 63 -10.574 3.750 -2.383 1.00 0.34 C ATOM 946 C GLY A 63 -9.434 2.742 -2.296 1.00 0.27 C ATOM 947 O GLY A 63 -8.268 3.107 -2.440 1.00 0.29 O ATOM 0 H GLY A 63 -12.614 3.294 -2.504 1.00 0.37 H new ATOM 0 HA2 GLY A 63 -10.241 4.629 -2.935 1.00 0.34 H new ATOM 0 HA3 GLY A 63 -10.840 4.085 -1.380 1.00 0.34 H new ATOM 951 N VAL A 64 -9.765 1.476 -2.045 1.00 0.24 N ATOM 952 CA VAL A 64 -8.740 0.444 -1.925 1.00 0.21 C ATOM 953 C VAL A 64 -8.102 0.130 -3.278 1.00 0.24 C ATOM 954 O VAL A 64 -6.877 0.090 -3.396 1.00 0.28 O ATOM 955 CB VAL A 64 -9.314 -0.827 -1.280 1.00 0.24 C ATOM 956 CG1 VAL A 64 -10.081 -1.693 -2.279 1.00 0.30 C ATOM 957 CG2 VAL A 64 -8.189 -1.629 -0.640 1.00 0.26 C ATOM 0 H VAL A 64 -10.722 1.145 -1.922 1.00 0.24 H new ATOM 0 HA VAL A 64 -7.957 0.831 -1.273 1.00 0.21 H new ATOM 0 HB VAL A 64 -10.028 -0.516 -0.517 1.00 0.24 H new ATOM 0 HG11 VAL A 64 -10.466 -2.578 -1.773 1.00 0.30 H new ATOM 0 HG12 VAL A 64 -10.912 -1.122 -2.693 1.00 0.30 H new ATOM 0 HG13 VAL A 64 -9.413 -1.997 -3.085 1.00 0.30 H new ATOM 0 HG21 VAL A 64 -8.599 -2.530 -0.183 1.00 0.26 H new ATOM 0 HG22 VAL A 64 -7.461 -1.907 -1.402 1.00 0.26 H new ATOM 0 HG23 VAL A 64 -7.701 -1.025 0.124 1.00 0.26 H new ATOM 967 N GLN A 65 -8.929 -0.099 -4.294 1.00 0.25 N ATOM 968 CA GLN A 65 -8.421 -0.414 -5.626 1.00 0.30 C ATOM 969 C GLN A 65 -7.737 0.802 -6.240 1.00 0.30 C ATOM 970 O GLN A 65 -6.839 0.667 -7.073 1.00 0.34 O ATOM 971 CB GLN A 65 -9.555 -0.904 -6.527 1.00 0.37 C ATOM 972 CG GLN A 65 -10.524 0.214 -6.893 1.00 0.42 C ATOM 973 CD GLN A 65 -10.664 0.321 -8.406 1.00 0.78 C ATOM 974 OE1 GLN A 65 -9.699 0.126 -9.144 1.00 1.56 O ATOM 975 NE2 GLN A 65 -11.869 0.630 -8.868 1.00 0.82 N ATOM 0 H GLN A 65 -9.946 -0.073 -4.222 1.00 0.25 H new ATOM 0 HA GLN A 65 -7.684 -1.211 -5.534 1.00 0.30 H new ATOM 0 HB2 GLN A 65 -9.135 -1.331 -7.438 1.00 0.37 H new ATOM 0 HB3 GLN A 65 -10.098 -1.703 -6.022 1.00 0.37 H new ATOM 0 HG2 GLN A 65 -11.498 0.021 -6.444 1.00 0.42 H new ATOM 0 HG3 GLN A 65 -10.168 1.160 -6.487 1.00 0.42 H new ATOM 0 HE21 GLN A 65 -12.640 0.783 -8.218 1.00 0.82 H new ATOM 0 HE22 GLN A 65 -12.024 0.714 -9.873 1.00 0.82 H new ATOM 984 N GLN A 66 -8.157 1.990 -5.815 1.00 0.29 N ATOM 985 CA GLN A 66 -7.579 3.231 -6.317 1.00 0.31 C ATOM 986 C GLN A 66 -6.171 3.414 -5.769 1.00 0.29 C ATOM 987 O GLN A 66 -5.213 3.561 -6.527 1.00 0.36 O ATOM 988 CB GLN A 66 -8.453 4.416 -5.912 1.00 0.35 C ATOM 989 CG GLN A 66 -8.453 5.506 -6.981 1.00 0.79 C ATOM 990 CD GLN A 66 -9.880 5.940 -7.292 1.00 1.10 C ATOM 991 OE1 GLN A 66 -10.367 6.937 -6.759 1.00 2.03 O ATOM 992 NE2 GLN A 66 -10.551 5.192 -8.160 1.00 1.31 N ATOM 0 H GLN A 66 -8.896 2.119 -5.124 1.00 0.29 H new ATOM 0 HA GLN A 66 -7.530 3.180 -7.405 1.00 0.31 H new ATOM 0 HB2 GLN A 66 -9.474 4.074 -5.740 1.00 0.35 H new ATOM 0 HB3 GLN A 66 -8.093 4.829 -4.970 1.00 0.35 H new ATOM 0 HG2 GLN A 66 -7.872 6.362 -6.638 1.00 0.79 H new ATOM 0 HG3 GLN A 66 -7.972 5.137 -7.887 1.00 0.79 H new ATOM 0 HE21 GLN A 66 -10.108 4.374 -8.578 1.00 1.31 H new ATOM 0 HE22 GLN A 66 -11.510 5.436 -8.409 1.00 1.31 H new ATOM 1001 N ALA A 67 -6.050 3.398 -4.445 1.00 0.26 N ATOM 1002 CA ALA A 67 -4.756 3.555 -3.794 1.00 0.27 C ATOM 1003 C ALA A 67 -3.836 2.402 -4.168 1.00 0.26 C ATOM 1004 O ALA A 67 -2.620 2.569 -4.264 1.00 0.30 O ATOM 1005 CB ALA A 67 -4.932 3.609 -2.278 1.00 0.29 C ATOM 0 H ALA A 67 -6.833 3.278 -3.803 1.00 0.26 H new ATOM 0 HA ALA A 67 -4.307 4.489 -4.132 1.00 0.27 H new ATOM 0 HB1 ALA A 67 -3.958 3.726 -1.803 1.00 0.29 H new ATOM 0 HB2 ALA A 67 -5.568 4.454 -2.015 1.00 0.29 H new ATOM 0 HB3 ALA A 67 -5.395 2.685 -1.932 1.00 0.29 H new ATOM 1011 N LYS A 68 -4.426 1.230 -4.383 1.00 0.25 N ATOM 1012 CA LYS A 68 -3.663 0.046 -4.754 1.00 0.28 C ATOM 1013 C LYS A 68 -2.883 0.303 -6.036 1.00 0.31 C ATOM 1014 O LYS A 68 -1.653 0.249 -6.048 1.00 0.44 O ATOM 1015 CB LYS A 68 -4.602 -1.141 -4.945 1.00 0.32 C ATOM 1016 CG LYS A 68 -3.838 -2.404 -5.332 1.00 0.37 C ATOM 1017 CD LYS A 68 -4.588 -3.216 -6.384 1.00 0.43 C ATOM 1018 CE LYS A 68 -3.630 -3.887 -7.365 1.00 0.57 C ATOM 1019 NZ LYS A 68 -4.352 -4.390 -8.567 1.00 0.88 N ATOM 0 H LYS A 68 -5.431 1.076 -4.306 1.00 0.25 H new ATOM 0 HA LYS A 68 -2.959 -0.183 -3.954 1.00 0.28 H new ATOM 0 HB2 LYS A 68 -5.157 -1.319 -4.024 1.00 0.32 H new ATOM 0 HB3 LYS A 68 -5.334 -0.906 -5.718 1.00 0.32 H new ATOM 0 HG2 LYS A 68 -2.855 -2.132 -5.715 1.00 0.37 H new ATOM 0 HG3 LYS A 68 -3.676 -3.018 -4.446 1.00 0.37 H new ATOM 0 HD2 LYS A 68 -5.197 -3.975 -5.893 1.00 0.43 H new ATOM 0 HD3 LYS A 68 -5.270 -2.564 -6.929 1.00 0.43 H new ATOM 0 HE2 LYS A 68 -2.862 -3.176 -7.670 1.00 0.57 H new ATOM 0 HE3 LYS A 68 -3.121 -4.715 -6.871 1.00 0.57 H new ATOM 0 HZ1 LYS A 68 -3.675 -4.841 -9.215 1.00 0.88 H new ATOM 0 HZ2 LYS A 68 -5.068 -5.086 -8.276 1.00 0.88 H new ATOM 0 HZ3 LYS A 68 -4.817 -3.595 -9.050 1.00 0.88 H new ATOM 1033 N ARG A 69 -3.606 0.591 -7.114 1.00 0.36 N ATOM 1034 CA ARG A 69 -2.978 0.865 -8.401 1.00 0.43 C ATOM 1035 C ARG A 69 -2.226 2.188 -8.352 1.00 0.42 C ATOM 1036 O ARG A 69 -1.196 2.353 -9.004 1.00 0.46 O ATOM 1037 CB ARG A 69 -4.034 0.906 -9.500 1.00 0.50 C ATOM 1038 CG ARG A 69 -3.690 -0.048 -10.639 1.00 1.02 C ATOM 1039 CD ARG A 69 -4.854 -0.203 -11.612 1.00 1.36 C ATOM 1040 NE ARG A 69 -4.447 -0.996 -12.765 1.00 1.81 N ATOM 1041 CZ ARG A 69 -5.109 -2.092 -13.127 1.00 2.35 C ATOM 1042 NH1 ARG A 69 -6.351 -1.999 -13.576 1.00 2.76 N ATOM 1043 NH2 ARG A 69 -4.527 -3.280 -13.036 1.00 2.98 N ATOM 0 H ARG A 69 -4.625 0.641 -7.122 1.00 0.36 H new ATOM 0 HA ARG A 69 -2.268 0.067 -8.620 1.00 0.43 H new ATOM 0 HB2 ARG A 69 -5.006 0.641 -9.083 1.00 0.50 H new ATOM 0 HB3 ARG A 69 -4.119 1.921 -9.887 1.00 0.50 H new ATOM 0 HG2 ARG A 69 -2.815 0.323 -11.173 1.00 1.02 H new ATOM 0 HG3 ARG A 69 -3.424 -1.023 -10.230 1.00 1.02 H new ATOM 0 HD2 ARG A 69 -5.695 -0.683 -11.111 1.00 1.36 H new ATOM 0 HD3 ARG A 69 -5.196 0.779 -11.940 1.00 1.36 H new ATOM 0 HE ARG A 69 -3.635 -0.704 -13.308 1.00 1.81 H new ATOM 0 HH11 ARG A 69 -6.801 -1.086 -13.645 1.00 2.76 H new ATOM 0 HH12 ARG A 69 -6.857 -2.840 -13.853 1.00 2.76 H new ATOM 0 HH21 ARG A 69 -3.571 -3.354 -12.688 1.00 2.98 H new ATOM 0 HH22 ARG A 69 -5.035 -4.120 -13.314 1.00 2.98 H new ATOM 1057 N GLU A 70 -2.747 3.127 -7.570 1.00 0.40 N ATOM 1058 CA GLU A 70 -2.126 4.438 -7.428 1.00 0.43 C ATOM 1059 C GLU A 70 -0.708 4.292 -6.891 1.00 0.44 C ATOM 1060 O GLU A 70 0.187 5.056 -7.253 1.00 0.56 O ATOM 1061 CB GLU A 70 -2.952 5.309 -6.486 1.00 0.44 C ATOM 1062 CG GLU A 70 -2.411 6.733 -6.416 1.00 0.59 C ATOM 1063 CD GLU A 70 -2.966 7.570 -7.561 1.00 0.82 C ATOM 1064 OE1 GLU A 70 -3.856 7.074 -8.283 1.00 1.50 O ATOM 1065 OE2 GLU A 70 -2.509 8.719 -7.735 1.00 1.38 O ATOM 0 H GLU A 70 -3.600 3.004 -7.024 1.00 0.40 H new ATOM 0 HA GLU A 70 -2.085 4.915 -8.407 1.00 0.43 H new ATOM 0 HB2 GLU A 70 -3.988 5.329 -6.824 1.00 0.44 H new ATOM 0 HB3 GLU A 70 -2.950 4.870 -5.489 1.00 0.44 H new ATOM 0 HG2 GLU A 70 -2.682 7.185 -5.462 1.00 0.59 H new ATOM 0 HG3 GLU A 70 -1.322 6.718 -6.463 1.00 0.59 H new ATOM 1072 N LEU A 71 -0.512 3.301 -6.027 1.00 0.40 N ATOM 1073 CA LEU A 71 0.797 3.046 -5.439 1.00 0.47 C ATOM 1074 C LEU A 71 1.709 2.363 -6.450 1.00 0.52 C ATOM 1075 O LEU A 71 2.867 2.747 -6.615 1.00 0.60 O ATOM 1076 CB LEU A 71 0.649 2.166 -4.201 1.00 0.51 C ATOM 1077 CG LEU A 71 0.104 2.953 -3.013 1.00 0.78 C ATOM 1078 CD1 LEU A 71 -0.449 2.009 -1.948 1.00 1.08 C ATOM 1079 CD2 LEU A 71 1.184 3.856 -2.423 1.00 1.15 C ATOM 0 H LEU A 71 -1.244 2.661 -5.719 1.00 0.40 H new ATOM 0 HA LEU A 71 1.241 3.999 -5.152 1.00 0.47 H new ATOM 0 HB2 LEU A 71 -0.019 1.334 -4.424 1.00 0.51 H new ATOM 0 HB3 LEU A 71 1.617 1.738 -3.941 1.00 0.51 H new ATOM 0 HG LEU A 71 -0.712 3.583 -3.368 1.00 0.78 H new ATOM 0 HD11 LEU A 71 -0.832 2.591 -1.110 1.00 1.08 H new ATOM 0 HD12 LEU A 71 -1.255 1.412 -2.374 1.00 1.08 H new ATOM 0 HD13 LEU A 71 0.345 1.349 -1.599 1.00 1.08 H new ATOM 0 HD21 LEU A 71 0.774 4.408 -1.577 1.00 1.15 H new ATOM 0 HD22 LEU A 71 2.023 3.247 -2.087 1.00 1.15 H new ATOM 0 HD23 LEU A 71 1.526 4.558 -3.183 1.00 1.15 H new ATOM 1091 N LEU A 72 1.179 1.348 -7.125 1.00 0.52 N ATOM 1092 CA LEU A 72 1.943 0.607 -8.123 1.00 0.63 C ATOM 1093 C LEU A 72 2.424 1.532 -9.237 1.00 0.67 C ATOM 1094 O LEU A 72 3.378 1.215 -9.947 1.00 0.83 O ATOM 1095 CB LEU A 72 1.085 -0.509 -8.714 1.00 0.66 C ATOM 1096 CG LEU A 72 1.876 -1.806 -8.874 1.00 0.88 C ATOM 1097 CD1 LEU A 72 0.949 -2.959 -9.248 1.00 1.04 C ATOM 1098 CD2 LEU A 72 2.979 -1.641 -9.915 1.00 1.99 C ATOM 0 H LEU A 72 0.222 1.019 -6.999 1.00 0.52 H new ATOM 0 HA LEU A 72 2.815 0.173 -7.633 1.00 0.63 H new ATOM 0 HB2 LEU A 72 0.223 -0.685 -8.070 1.00 0.66 H new ATOM 0 HB3 LEU A 72 0.699 -0.196 -9.684 1.00 0.66 H new ATOM 0 HG LEU A 72 2.344 -2.040 -7.918 1.00 0.88 H new ATOM 0 HD11 LEU A 72 1.532 -3.874 -9.357 1.00 1.04 H new ATOM 0 HD12 LEU A 72 0.203 -3.095 -8.465 1.00 1.04 H new ATOM 0 HD13 LEU A 72 0.449 -2.733 -10.190 1.00 1.04 H new ATOM 0 HD21 LEU A 72 3.530 -2.577 -10.013 1.00 1.99 H new ATOM 0 HD22 LEU A 72 2.536 -1.378 -10.876 1.00 1.99 H new ATOM 0 HD23 LEU A 72 3.660 -0.850 -9.601 1.00 1.99 H new ATOM 1110 N GLU A 73 1.759 2.674 -9.392 1.00 0.64 N ATOM 1111 CA GLU A 73 2.122 3.636 -10.428 1.00 0.74 C ATOM 1112 C GLU A 73 2.930 4.788 -9.841 1.00 0.71 C ATOM 1113 O GLU A 73 4.124 4.919 -10.108 1.00 0.88 O ATOM 1114 CB GLU A 73 0.863 4.176 -11.099 1.00 0.82 C ATOM 1115 CG GLU A 73 0.014 3.053 -11.687 1.00 1.00 C ATOM 1116 CD GLU A 73 0.620 2.561 -12.996 1.00 1.41 C ATOM 1117 OE1 GLU A 73 0.801 3.386 -13.915 1.00 2.01 O ATOM 1118 OE2 GLU A 73 0.913 1.351 -13.099 1.00 2.05 O ATOM 0 H GLU A 73 0.967 2.955 -8.814 1.00 0.64 H new ATOM 0 HA GLU A 73 2.738 3.126 -11.169 1.00 0.74 H new ATOM 0 HB2 GLU A 73 0.274 4.736 -10.372 1.00 0.82 H new ATOM 0 HB3 GLU A 73 1.142 4.874 -11.889 1.00 0.82 H new ATOM 0 HG2 GLU A 73 -0.053 2.229 -10.977 1.00 1.00 H new ATOM 0 HG3 GLU A 73 -1.002 3.408 -11.860 1.00 1.00 H new ATOM 1125 N LEU A 74 2.270 5.627 -9.050 1.00 0.64 N ATOM 1126 CA LEU A 74 2.926 6.774 -8.433 1.00 0.71 C ATOM 1127 C LEU A 74 3.747 6.346 -7.223 1.00 0.82 C ATOM 1128 O LEU A 74 4.853 6.841 -7.007 1.00 1.13 O ATOM 1129 CB LEU A 74 1.884 7.808 -8.013 1.00 0.85 C ATOM 1130 CG LEU A 74 0.846 8.040 -9.107 1.00 0.99 C ATOM 1131 CD1 LEU A 74 -0.126 9.145 -8.703 1.00 1.19 C ATOM 1132 CD2 LEU A 74 1.523 8.377 -10.434 1.00 1.32 C ATOM 0 H LEU A 74 1.280 5.534 -8.821 1.00 0.64 H new ATOM 0 HA LEU A 74 3.600 7.217 -9.167 1.00 0.71 H new ATOM 0 HB2 LEU A 74 1.385 7.473 -7.103 1.00 0.85 H new ATOM 0 HB3 LEU A 74 2.380 8.749 -7.777 1.00 0.85 H new ATOM 0 HG LEU A 74 0.280 7.118 -9.238 1.00 0.99 H new ATOM 0 HD11 LEU A 74 -0.858 9.294 -9.497 1.00 1.19 H new ATOM 0 HD12 LEU A 74 -0.640 8.860 -7.785 1.00 1.19 H new ATOM 0 HD13 LEU A 74 0.424 10.071 -8.538 1.00 1.19 H new ATOM 0 HD21 LEU A 74 0.764 8.538 -11.199 1.00 1.32 H new ATOM 0 HD22 LEU A 74 2.120 9.282 -10.319 1.00 1.32 H new ATOM 0 HD23 LEU A 74 2.169 7.552 -10.733 1.00 1.32 H new ATOM 1144 N ALA A 75 3.201 5.426 -6.435 1.00 0.78 N ATOM 1145 CA ALA A 75 3.887 4.935 -5.245 1.00 0.99 C ATOM 1146 C ALA A 75 4.096 6.062 -4.240 1.00 1.70 C ATOM 1147 O ALA A 75 5.128 6.127 -3.571 1.00 2.16 O ATOM 1148 CB ALA A 75 5.234 4.332 -5.632 1.00 1.14 C ATOM 0 H ALA A 75 2.286 5.005 -6.598 1.00 0.78 H new ATOM 0 HA ALA A 75 3.267 4.167 -4.782 1.00 0.99 H new ATOM 0 HB1 ALA A 75 5.740 3.968 -4.738 1.00 1.14 H new ATOM 0 HB2 ALA A 75 5.077 3.504 -6.323 1.00 1.14 H new ATOM 0 HB3 ALA A 75 5.849 5.093 -6.112 1.00 1.14 H new ATOM 1154 N SER A 76 3.111 6.948 -4.137 1.00 2.17 N ATOM 1155 CA SER A 76 3.187 8.073 -3.212 1.00 3.01 C ATOM 1156 C SER A 76 4.426 8.915 -3.494 1.00 3.57 C ATOM 1157 O SER A 76 4.330 9.863 -4.301 1.00 4.23 O ATOM 1158 CB SER A 76 3.224 7.564 -1.775 1.00 3.63 C ATOM 1159 OG SER A 76 2.666 8.530 -0.896 1.00 4.36 O ATOM 1160 OXT SER A 76 5.490 8.624 -2.908 1.00 3.89 O ATOM 0 H SER A 76 2.250 6.909 -4.683 1.00 2.17 H new ATOM 0 HA SER A 76 2.303 8.696 -3.351 1.00 3.01 H new ATOM 0 HB2 SER A 76 2.669 6.629 -1.699 1.00 3.63 H new ATOM 0 HB3 SER A 76 4.252 7.349 -1.484 1.00 3.63 H new ATOM 0 HG SER A 76 2.694 8.191 0.023 1.00 4.36 H new TER 1166 SER A 76