USER MOD reduce.3.24.130724 H: found=0, std=0, add=849, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 847 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 75 LYS NZ :NH3+ -137:sc= 2.27 (180deg=0.898) USER MOD Set 1.2: A 76 GLN : amide:sc= 0.923 K(o=3.2,f=-9.4!) USER MOD Set 2.1: A 23 TYR OH : rot 69:sc= 1.59 USER MOD Set 2.2: A 65 SER OG : rot -150:sc= 1.18 USER MOD Single : A 1 MET CE :methyl -171:sc= -0.243 (180deg=-0.49) USER MOD Single : A 1 MET N :NH3+ 170:sc= -0.103 (180deg=-0.245) USER MOD Single : A 3 GLN : amide:sc= -0.114 X(o=-0.11,f=-0.047) USER MOD Single : A 7 GLN : amide:sc= -0.154 X(o=-0.15,f=-0.049) USER MOD Single : A 13 HIS : no HD1:sc= -0.803 K(o=-0.8,f=-1.6!) USER MOD Single : A 14 GLN : amide:sc= -0.0307 X(o=-0.031,f=-0.065) USER MOD Single : A 17 LYS NZ :NH3+ 168:sc= -0.0307 (180deg=-0.218) USER MOD Single : A 19 LYS NZ :NH3+ -172:sc= -0.0112 (180deg=-0.12) USER MOD Single : A 21 SER OG : rot -130:sc= -0.905 USER MOD Single : A 22 THR OG1 : rot 123:sc= -0.939 USER MOD Single : A 28 LYS NZ :NH3+ 155:sc= 1.08 (180deg=0.643) USER MOD Single : A 29 MET CE :methyl -165:sc= -0.942 (180deg=-1.78) USER MOD Single : A 32 TYR OH : rot 130:sc= 0 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 HIS : no HD1:sc= -0.286 X(o=-0.29,f=-0.0076) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 ASN : amide:sc= -0.0348 X(o=-0.035,f=-0.48) USER MOD Single : A 50 SER OG : rot 180:sc= 0.0385 USER MOD Single : A 51 LYS NZ :NH3+ 167:sc=-0.00907 (180deg=-0.23) USER MOD Single : A 59 ASN : amide:sc= -0.204 K(o=-0.2,f=-8.6!) USER MOD Single : A 60 SER OG : rot -35:sc= 0.908 USER MOD Single : A 61 GLN : amide:sc= -0.607 K(o=-0.61,f=-4.9!) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0302) USER MOD Single : A 74 GLN : amide:sc= -2.33! C(o=-2.3!,f=-3.5!) USER MOD Single : A 77 LYS NZ :NH3+ -117:sc= 0.231 (180deg=-1.49!) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 LYS NZ :NH3+ 169:sc= 1.2 (180deg=1.1) USER MOD Single : A 96 TYR OH : rot 120:sc= 0.491 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 GLN : amide:sc= -0.748 K(o=-0.75,f=-2.8!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -8.391 -6.016 18.071 1.00 3.13 N ATOM 2 CA MET A 1 -9.218 -5.249 17.098 1.00 64.34 C ATOM 3 C MET A 1 -10.093 -6.169 16.225 1.00 10.31 C ATOM 4 O MET A 1 -11.322 -6.118 16.298 1.00 73.05 O ATOM 5 CB MET A 1 -8.330 -4.339 16.225 1.00 25.44 C ATOM 6 CG MET A 1 -7.100 -5.023 15.639 1.00 71.13 C ATOM 7 SD MET A 1 -6.005 -3.865 14.797 1.00 5.33 S ATOM 8 CE MET A 1 -4.656 -4.942 14.318 1.00 71.21 C ATOM 0 H1 MET A 1 -7.700 -5.380 18.516 1.00 3.13 H new ATOM 0 H2 MET A 1 -9.006 -6.425 18.803 1.00 3.13 H new ATOM 0 H3 MET A 1 -7.889 -6.779 17.574 1.00 3.13 H new ATOM 0 HA MET A 1 -9.896 -4.620 17.675 1.00 64.34 H new ATOM 0 HB2 MET A 1 -8.932 -3.942 15.408 1.00 25.44 H new ATOM 0 HB3 MET A 1 -8.005 -3.488 16.824 1.00 25.44 H new ATOM 0 HG2 MET A 1 -6.551 -5.523 16.437 1.00 71.13 H new ATOM 0 HG3 MET A 1 -7.417 -5.795 14.938 1.00 71.13 H new ATOM 0 HE1 MET A 1 -3.832 -4.343 13.931 1.00 71.21 H new ATOM 0 HE2 MET A 1 -4.317 -5.508 15.185 1.00 71.21 H new ATOM 0 HE3 MET A 1 -4.997 -5.631 13.546 1.00 71.21 H new ATOM 20 N ASP A 2 -9.460 -7.022 15.420 1.00 43.11 N ATOM 21 CA ASP A 2 -10.182 -7.910 14.504 1.00 2.23 C ATOM 22 C ASP A 2 -9.198 -8.876 13.820 1.00 44.15 C ATOM 23 O ASP A 2 -8.193 -8.446 13.252 1.00 35.35 O ATOM 24 CB ASP A 2 -10.953 -7.089 13.458 1.00 31.14 C ATOM 25 CG ASP A 2 -11.890 -7.941 12.623 1.00 10.11 C ATOM 26 OD1 ASP A 2 -11.447 -8.488 11.596 1.00 72.33 O ATOM 27 OD2 ASP A 2 -13.072 -8.076 12.994 1.00 10.43 O ATOM 0 H ASP A 2 -8.445 -7.118 15.382 1.00 43.11 H new ATOM 0 HA ASP A 2 -10.902 -8.496 15.075 1.00 2.23 H new ATOM 0 HB2 ASP A 2 -11.527 -6.312 13.963 1.00 31.14 H new ATOM 0 HB3 ASP A 2 -10.243 -6.586 12.801 1.00 31.14 H new ATOM 32 N GLN A 3 -9.492 -10.175 13.878 1.00 31.33 N ATOM 33 CA GLN A 3 -8.582 -11.212 13.359 1.00 34.20 C ATOM 34 C GLN A 3 -8.240 -10.996 11.876 1.00 63.20 C ATOM 35 O GLN A 3 -7.090 -11.166 11.465 1.00 1.23 O ATOM 36 CB GLN A 3 -9.194 -12.605 13.571 1.00 40.53 C ATOM 37 CG GLN A 3 -9.511 -12.917 15.032 1.00 33.40 C ATOM 38 CD GLN A 3 -8.289 -12.854 15.933 1.00 51.11 C ATOM 39 OE1 GLN A 3 -7.601 -13.847 16.142 1.00 32.42 O ATOM 40 NE2 GLN A 3 -8.009 -11.687 16.476 1.00 4.10 N ATOM 0 H GLN A 3 -10.355 -10.541 14.280 1.00 31.33 H new ATOM 0 HA GLN A 3 -7.649 -11.138 13.917 1.00 34.20 H new ATOM 0 HB2 GLN A 3 -10.109 -12.684 12.984 1.00 40.53 H new ATOM 0 HB3 GLN A 3 -8.505 -13.358 13.189 1.00 40.53 H new ATOM 0 HG2 GLN A 3 -10.259 -12.212 15.394 1.00 33.40 H new ATOM 0 HG3 GLN A 3 -9.953 -13.911 15.098 1.00 33.40 H new ATOM 0 HE21 GLN A 3 -8.601 -10.879 16.282 1.00 4.10 H new ATOM 0 HE22 GLN A 3 -7.200 -11.591 17.090 1.00 4.10 H new ATOM 49 N PHE A 4 -9.236 -10.616 11.080 1.00 3.01 N ATOM 50 CA PHE A 4 -9.015 -10.285 9.668 1.00 23.55 C ATOM 51 C PHE A 4 -7.977 -9.160 9.528 1.00 24.45 C ATOM 52 O PHE A 4 -6.989 -9.296 8.798 1.00 22.15 O ATOM 53 CB PHE A 4 -10.346 -9.882 9.011 1.00 24.45 C ATOM 54 CG PHE A 4 -10.202 -9.201 7.670 1.00 33.13 C ATOM 55 CD1 PHE A 4 -9.820 -9.917 6.547 1.00 75.12 C ATOM 56 CD2 PHE A 4 -10.455 -7.840 7.536 1.00 11.31 C ATOM 57 CE1 PHE A 4 -9.691 -9.292 5.321 1.00 22.24 C ATOM 58 CE2 PHE A 4 -10.327 -7.213 6.312 1.00 22.24 C ATOM 59 CZ PHE A 4 -9.945 -7.939 5.203 1.00 2.14 C ATOM 0 H PHE A 4 -10.205 -10.528 11.385 1.00 3.01 H new ATOM 0 HA PHE A 4 -8.624 -11.166 9.159 1.00 23.55 H new ATOM 0 HB2 PHE A 4 -10.960 -10.774 8.887 1.00 24.45 H new ATOM 0 HB3 PHE A 4 -10.883 -9.216 9.687 1.00 24.45 H new ATOM 0 HD1 PHE A 4 -9.621 -10.975 6.631 1.00 75.12 H new ATOM 0 HD2 PHE A 4 -10.755 -7.266 8.400 1.00 11.31 H new ATOM 0 HE1 PHE A 4 -9.391 -9.862 4.454 1.00 22.24 H new ATOM 0 HE2 PHE A 4 -10.526 -6.155 6.223 1.00 22.24 H new ATOM 0 HZ PHE A 4 -9.845 -7.451 4.245 1.00 2.14 H new ATOM 69 N LEU A 5 -8.201 -8.063 10.248 1.00 13.50 N ATOM 70 CA LEU A 5 -7.285 -6.916 10.228 1.00 21.00 C ATOM 71 C LEU A 5 -5.871 -7.315 10.683 1.00 25.11 C ATOM 72 O LEU A 5 -4.884 -6.977 10.035 1.00 24.52 O ATOM 73 CB LEU A 5 -7.821 -5.783 11.117 1.00 74.33 C ATOM 74 CG LEU A 5 -9.201 -5.229 10.718 1.00 3.31 C ATOM 75 CD1 LEU A 5 -9.626 -4.099 11.656 1.00 12.10 C ATOM 76 CD2 LEU A 5 -9.195 -4.753 9.268 1.00 35.13 C ATOM 0 H LEU A 5 -9.011 -7.940 10.856 1.00 13.50 H new ATOM 0 HA LEU A 5 -7.223 -6.564 9.198 1.00 21.00 H new ATOM 0 HB2 LEU A 5 -7.876 -6.145 12.144 1.00 74.33 H new ATOM 0 HB3 LEU A 5 -7.102 -4.964 11.106 1.00 74.33 H new ATOM 0 HG LEU A 5 -9.928 -6.036 10.808 1.00 3.31 H new ATOM 0 HD11 LEU A 5 -10.604 -3.724 11.354 1.00 12.10 H new ATOM 0 HD12 LEU A 5 -9.681 -4.475 12.677 1.00 12.10 H new ATOM 0 HD13 LEU A 5 -8.896 -3.291 11.606 1.00 12.10 H new ATOM 0 HD21 LEU A 5 -10.180 -4.366 9.008 1.00 35.13 H new ATOM 0 HD22 LEU A 5 -8.452 -3.965 9.147 1.00 35.13 H new ATOM 0 HD23 LEU A 5 -8.949 -5.588 8.612 1.00 35.13 H new ATOM 88 N VAL A 6 -5.784 -8.045 11.791 1.00 52.33 N ATOM 89 CA VAL A 6 -4.492 -8.477 12.339 1.00 61.12 C ATOM 90 C VAL A 6 -3.662 -9.264 11.306 1.00 55.14 C ATOM 91 O VAL A 6 -2.457 -9.040 11.162 1.00 74.23 O ATOM 92 CB VAL A 6 -4.682 -9.340 13.617 1.00 34.51 C ATOM 93 CG1 VAL A 6 -3.339 -9.842 14.148 1.00 74.33 C ATOM 94 CG2 VAL A 6 -5.427 -8.551 14.698 1.00 30.03 C ATOM 0 H VAL A 6 -6.592 -8.353 12.332 1.00 52.33 H new ATOM 0 HA VAL A 6 -3.947 -7.570 12.599 1.00 61.12 H new ATOM 0 HB VAL A 6 -5.284 -10.208 13.347 1.00 34.51 H new ATOM 0 HG11 VAL A 6 -3.503 -10.443 15.043 1.00 74.33 H new ATOM 0 HG12 VAL A 6 -2.851 -10.451 13.387 1.00 74.33 H new ATOM 0 HG13 VAL A 6 -2.704 -8.991 14.394 1.00 74.33 H new ATOM 0 HG21 VAL A 6 -5.549 -9.174 15.584 1.00 30.03 H new ATOM 0 HG22 VAL A 6 -4.855 -7.660 14.957 1.00 30.03 H new ATOM 0 HG23 VAL A 6 -6.407 -8.257 14.323 1.00 30.03 H new ATOM 104 N GLN A 7 -4.313 -10.175 10.581 1.00 53.20 N ATOM 105 CA GLN A 7 -3.626 -11.010 9.583 1.00 1.33 C ATOM 106 C GLN A 7 -3.147 -10.189 8.371 1.00 63.44 C ATOM 107 O GLN A 7 -1.970 -10.243 8.001 1.00 25.52 O ATOM 108 CB GLN A 7 -4.544 -12.149 9.118 1.00 32.42 C ATOM 109 CG GLN A 7 -4.957 -13.105 10.234 1.00 71.33 C ATOM 110 CD GLN A 7 -3.780 -13.848 10.849 1.00 73.31 C ATOM 111 OE1 GLN A 7 -3.421 -14.939 10.414 1.00 1.05 O ATOM 112 NE2 GLN A 7 -3.173 -13.271 11.865 1.00 42.32 N ATOM 0 H GLN A 7 -5.313 -10.356 10.663 1.00 53.20 H new ATOM 0 HA GLN A 7 -2.743 -11.430 10.065 1.00 1.33 H new ATOM 0 HB2 GLN A 7 -5.440 -11.720 8.670 1.00 32.42 H new ATOM 0 HB3 GLN A 7 -4.037 -12.715 8.337 1.00 32.42 H new ATOM 0 HG2 GLN A 7 -5.472 -12.543 11.013 1.00 71.33 H new ATOM 0 HG3 GLN A 7 -5.670 -13.829 9.839 1.00 71.33 H new ATOM 0 HE21 GLN A 7 -3.495 -12.364 12.203 1.00 42.32 H new ATOM 0 HE22 GLN A 7 -2.381 -13.731 12.314 1.00 42.32 H new ATOM 121 N ILE A 8 -4.053 -9.426 7.754 1.00 62.20 N ATOM 122 CA ILE A 8 -3.690 -8.607 6.588 1.00 24.01 C ATOM 123 C ILE A 8 -2.588 -7.594 6.939 1.00 25.03 C ATOM 124 O ILE A 8 -1.665 -7.366 6.153 1.00 33.35 O ATOM 125 CB ILE A 8 -4.917 -7.867 5.985 1.00 15.23 C ATOM 126 CG1 ILE A 8 -5.563 -6.928 7.017 1.00 34.05 C ATOM 127 CG2 ILE A 8 -5.937 -8.876 5.457 1.00 21.03 C ATOM 128 CD1 ILE A 8 -6.754 -6.154 6.491 1.00 11.42 C ATOM 0 H ILE A 8 -5.031 -9.356 8.035 1.00 62.20 H new ATOM 0 HA ILE A 8 -3.310 -9.295 5.833 1.00 24.01 H new ATOM 0 HB ILE A 8 -4.570 -7.255 5.153 1.00 15.23 H new ATOM 0 HG12 ILE A 8 -5.878 -7.516 7.879 1.00 34.05 H new ATOM 0 HG13 ILE A 8 -4.812 -6.222 7.370 1.00 34.05 H new ATOM 0 HG21 ILE A 8 -6.791 -8.344 5.038 1.00 21.03 H new ATOM 0 HG22 ILE A 8 -5.475 -9.489 4.683 1.00 21.03 H new ATOM 0 HG23 ILE A 8 -6.273 -9.515 6.274 1.00 21.03 H new ATOM 0 HD11 ILE A 8 -7.151 -5.516 7.281 1.00 11.42 H new ATOM 0 HD12 ILE A 8 -6.443 -5.537 5.648 1.00 11.42 H new ATOM 0 HD13 ILE A 8 -7.526 -6.851 6.166 1.00 11.42 H new ATOM 140 N PHE A 9 -2.669 -7.007 8.133 1.00 14.51 N ATOM 141 CA PHE A 9 -1.640 -6.077 8.605 1.00 14.42 C ATOM 142 C PHE A 9 -0.294 -6.795 8.791 1.00 43.14 C ATOM 143 O PHE A 9 0.760 -6.249 8.462 1.00 12.13 O ATOM 144 CB PHE A 9 -2.067 -5.409 9.924 1.00 60.40 C ATOM 145 CG PHE A 9 -3.290 -4.520 9.814 1.00 41.42 C ATOM 146 CD1 PHE A 9 -3.859 -4.220 8.580 1.00 51.34 C ATOM 147 CD2 PHE A 9 -3.868 -3.977 10.956 1.00 72.32 C ATOM 148 CE1 PHE A 9 -4.972 -3.406 8.490 1.00 1.11 C ATOM 149 CE2 PHE A 9 -4.982 -3.163 10.868 1.00 1.34 C ATOM 150 CZ PHE A 9 -5.534 -2.876 9.634 1.00 73.21 C ATOM 0 H PHE A 9 -3.434 -7.158 8.791 1.00 14.51 H new ATOM 0 HA PHE A 9 -1.520 -5.304 7.846 1.00 14.42 H new ATOM 0 HB2 PHE A 9 -2.264 -6.186 10.662 1.00 60.40 H new ATOM 0 HB3 PHE A 9 -1.235 -4.815 10.301 1.00 60.40 H new ATOM 0 HD1 PHE A 9 -3.425 -4.629 7.680 1.00 51.34 H new ATOM 0 HD2 PHE A 9 -3.441 -4.194 11.924 1.00 72.32 H new ATOM 0 HE1 PHE A 9 -5.402 -3.184 7.524 1.00 1.11 H new ATOM 0 HE2 PHE A 9 -5.421 -2.751 11.764 1.00 1.34 H new ATOM 0 HZ PHE A 9 -6.403 -2.239 9.565 1.00 73.21 H new ATOM 160 N ALA A 10 -0.339 -8.027 9.306 1.00 21.00 N ATOM 161 CA ALA A 10 0.872 -8.839 9.490 1.00 51.34 C ATOM 162 C ALA A 10 1.630 -9.019 8.165 1.00 34.41 C ATOM 163 O ALA A 10 2.861 -9.063 8.137 1.00 41.51 O ATOM 164 CB ALA A 10 0.521 -10.198 10.092 1.00 13.31 C ATOM 0 H ALA A 10 -1.200 -8.486 9.604 1.00 21.00 H new ATOM 0 HA ALA A 10 1.526 -8.309 10.182 1.00 51.34 H new ATOM 0 HB1 ALA A 10 1.431 -10.785 10.221 1.00 13.31 H new ATOM 0 HB2 ALA A 10 0.042 -10.054 11.060 1.00 13.31 H new ATOM 0 HB3 ALA A 10 -0.160 -10.726 9.425 1.00 13.31 H new ATOM 170 N VAL A 11 0.885 -9.122 7.067 1.00 11.32 N ATOM 171 CA VAL A 11 1.484 -9.182 5.728 1.00 52.01 C ATOM 172 C VAL A 11 2.124 -7.832 5.354 1.00 21.14 C ATOM 173 O VAL A 11 3.205 -7.782 4.765 1.00 64.11 O ATOM 174 CB VAL A 11 0.433 -9.573 4.658 1.00 31.14 C ATOM 175 CG1 VAL A 11 1.069 -9.694 3.273 1.00 74.34 C ATOM 176 CG2 VAL A 11 -0.271 -10.872 5.047 1.00 2.34 C ATOM 0 H VAL A 11 -0.134 -9.166 7.074 1.00 11.32 H new ATOM 0 HA VAL A 11 2.258 -9.949 5.752 1.00 52.01 H new ATOM 0 HB VAL A 11 -0.311 -8.778 4.612 1.00 31.14 H new ATOM 0 HG11 VAL A 11 0.306 -9.969 2.545 1.00 74.34 H new ATOM 0 HG12 VAL A 11 1.512 -8.739 2.991 1.00 74.34 H new ATOM 0 HG13 VAL A 11 1.844 -10.461 3.294 1.00 74.34 H new ATOM 0 HG21 VAL A 11 -1.005 -11.131 4.284 1.00 2.34 H new ATOM 0 HG22 VAL A 11 0.463 -11.673 5.130 1.00 2.34 H new ATOM 0 HG23 VAL A 11 -0.774 -10.740 6.005 1.00 2.34 H new ATOM 186 N ILE A 12 1.450 -6.743 5.721 1.00 43.14 N ATOM 187 CA ILE A 12 1.935 -5.384 5.436 1.00 53.24 C ATOM 188 C ILE A 12 3.225 -5.053 6.215 1.00 32.15 C ATOM 189 O ILE A 12 4.103 -4.347 5.714 1.00 1.12 O ATOM 190 CB ILE A 12 0.847 -4.331 5.760 1.00 1.10 C ATOM 191 CG1 ILE A 12 -0.436 -4.642 4.973 1.00 32.32 C ATOM 192 CG2 ILE A 12 1.344 -2.918 5.445 1.00 22.54 C ATOM 193 CD1 ILE A 12 -1.610 -3.757 5.331 1.00 54.22 C ATOM 0 H ILE A 12 0.561 -6.771 6.220 1.00 43.14 H new ATOM 0 HA ILE A 12 2.165 -5.350 4.371 1.00 53.24 H new ATOM 0 HB ILE A 12 0.626 -4.378 6.826 1.00 1.10 H new ATOM 0 HG12 ILE A 12 -0.230 -4.540 3.908 1.00 32.32 H new ATOM 0 HG13 ILE A 12 -0.713 -5.682 5.146 1.00 32.32 H new ATOM 0 HG21 ILE A 12 0.562 -2.196 5.681 1.00 22.54 H new ATOM 0 HG22 ILE A 12 2.229 -2.702 6.043 1.00 22.54 H new ATOM 0 HG23 ILE A 12 1.595 -2.848 4.387 1.00 22.54 H new ATOM 0 HD11 ILE A 12 -2.475 -4.041 4.732 1.00 54.22 H new ATOM 0 HD12 ILE A 12 -1.846 -3.876 6.389 1.00 54.22 H new ATOM 0 HD13 ILE A 12 -1.355 -2.716 5.131 1.00 54.22 H new ATOM 205 N HIS A 13 3.343 -5.564 7.441 1.00 33.54 N ATOM 206 CA HIS A 13 4.572 -5.392 8.231 1.00 34.13 C ATOM 207 C HIS A 13 5.778 -6.056 7.543 1.00 44.24 C ATOM 208 O HIS A 13 6.930 -5.737 7.839 1.00 21.22 O ATOM 209 CB HIS A 13 4.405 -5.974 9.644 1.00 21.40 C ATOM 210 CG HIS A 13 3.533 -5.156 10.552 1.00 23.44 C ATOM 211 ND1 HIS A 13 4.003 -4.015 11.158 1.00 62.04 N ATOM 212 CD2 HIS A 13 2.251 -5.359 10.937 1.00 33.45 C ATOM 213 CE1 HIS A 13 3.007 -3.551 11.891 1.00 42.04 C ATOM 214 NE2 HIS A 13 1.927 -4.333 11.790 1.00 54.21 N ATOM 0 H HIS A 13 2.611 -6.097 7.910 1.00 33.54 H new ATOM 0 HA HIS A 13 4.757 -4.321 8.306 1.00 34.13 H new ATOM 0 HB2 HIS A 13 3.985 -6.977 9.564 1.00 21.40 H new ATOM 0 HB3 HIS A 13 5.390 -6.076 10.101 1.00 21.40 H new ATOM 0 HD2 HIS A 13 1.608 -6.171 10.632 1.00 33.45 H new ATOM 0 HE1 HIS A 13 3.058 -2.656 12.494 1.00 42.04 H new ATOM 0 HE2 HIS A 13 1.032 -4.194 12.258 1.00 54.21 H new ATOM 222 N GLN A 14 5.503 -6.976 6.618 1.00 41.14 N ATOM 223 CA GLN A 14 6.555 -7.727 5.919 1.00 61.13 C ATOM 224 C GLN A 14 7.001 -7.047 4.610 1.00 2.14 C ATOM 225 O GLN A 14 7.800 -7.610 3.857 1.00 65.33 O ATOM 226 CB GLN A 14 6.072 -9.158 5.638 1.00 44.02 C ATOM 227 CG GLN A 14 5.947 -10.015 6.892 1.00 2.10 C ATOM 228 CD GLN A 14 5.275 -11.352 6.629 1.00 32.12 C ATOM 229 OE1 GLN A 14 5.924 -12.333 6.272 1.00 52.01 O ATOM 230 NE2 GLN A 14 3.974 -11.403 6.814 1.00 53.55 N ATOM 0 H GLN A 14 4.556 -7.223 6.332 1.00 41.14 H new ATOM 0 HA GLN A 14 7.426 -7.751 6.574 1.00 61.13 H new ATOM 0 HB2 GLN A 14 5.104 -9.115 5.139 1.00 44.02 H new ATOM 0 HB3 GLN A 14 6.765 -9.638 4.947 1.00 44.02 H new ATOM 0 HG2 GLN A 14 6.939 -10.188 7.308 1.00 2.10 H new ATOM 0 HG3 GLN A 14 5.377 -9.469 7.644 1.00 2.10 H new ATOM 0 HE21 GLN A 14 3.468 -10.569 7.111 1.00 53.55 H new ATOM 0 HE22 GLN A 14 3.471 -12.277 6.661 1.00 53.55 H new ATOM 239 N ILE A 15 6.498 -5.842 4.340 1.00 74.15 N ATOM 240 CA ILE A 15 6.917 -5.085 3.152 1.00 2.10 C ATOM 241 C ILE A 15 8.292 -4.426 3.384 1.00 63.24 C ATOM 242 O ILE A 15 8.491 -3.728 4.383 1.00 20.32 O ATOM 243 CB ILE A 15 5.892 -3.978 2.775 1.00 25.43 C ATOM 244 CG1 ILE A 15 4.462 -4.542 2.708 1.00 2.02 C ATOM 245 CG2 ILE A 15 6.270 -3.334 1.438 1.00 50.02 C ATOM 246 CD1 ILE A 15 4.255 -5.584 1.631 1.00 33.13 C ATOM 0 H ILE A 15 5.805 -5.369 4.920 1.00 74.15 H new ATOM 0 HA ILE A 15 6.977 -5.800 2.331 1.00 2.10 H new ATOM 0 HB ILE A 15 5.919 -3.217 3.555 1.00 25.43 H new ATOM 0 HG12 ILE A 15 4.211 -4.980 3.674 1.00 2.02 H new ATOM 0 HG13 ILE A 15 3.767 -3.719 2.540 1.00 2.02 H new ATOM 0 HG21 ILE A 15 5.543 -2.561 1.188 1.00 50.02 H new ATOM 0 HG22 ILE A 15 7.261 -2.888 1.516 1.00 50.02 H new ATOM 0 HG23 ILE A 15 6.275 -4.094 0.657 1.00 50.02 H new ATOM 0 HD11 ILE A 15 3.221 -5.929 1.652 1.00 33.13 H new ATOM 0 HD12 ILE A 15 4.472 -5.148 0.656 1.00 33.13 H new ATOM 0 HD13 ILE A 15 4.923 -6.427 1.808 1.00 33.13 H new ATOM 258 N PRO A 16 9.268 -4.651 2.484 1.00 32.14 N ATOM 259 CA PRO A 16 10.610 -4.056 2.605 1.00 14.32 C ATOM 260 C PRO A 16 10.652 -2.560 2.236 1.00 15.33 C ATOM 261 O PRO A 16 9.715 -2.018 1.643 1.00 21.43 O ATOM 262 CB PRO A 16 11.444 -4.881 1.617 1.00 63.20 C ATOM 263 CG PRO A 16 10.468 -5.318 0.577 1.00 12.43 C ATOM 264 CD PRO A 16 9.153 -5.513 1.291 1.00 23.33 C ATOM 0 HA PRO A 16 10.972 -4.087 3.633 1.00 14.32 H new ATOM 0 HB2 PRO A 16 12.247 -4.286 1.182 1.00 63.20 H new ATOM 0 HB3 PRO A 16 11.910 -5.735 2.108 1.00 63.20 H new ATOM 0 HG2 PRO A 16 10.377 -4.570 -0.210 1.00 12.43 H new ATOM 0 HG3 PRO A 16 10.794 -6.243 0.101 1.00 12.43 H new ATOM 0 HD2 PRO A 16 8.311 -5.219 0.665 1.00 23.33 H new ATOM 0 HD3 PRO A 16 8.998 -6.556 1.565 1.00 23.33 H new ATOM 272 N LYS A 17 11.763 -1.910 2.575 1.00 25.04 N ATOM 273 CA LYS A 17 11.943 -0.478 2.326 1.00 40.12 C ATOM 274 C LYS A 17 11.931 -0.153 0.820 1.00 23.13 C ATOM 275 O LYS A 17 12.663 -0.760 0.032 1.00 25.31 O ATOM 276 CB LYS A 17 13.258 -0.004 2.984 1.00 45.52 C ATOM 277 CG LYS A 17 13.589 1.484 2.801 1.00 74.03 C ATOM 278 CD LYS A 17 14.284 1.768 1.469 1.00 5.01 C ATOM 279 CE LYS A 17 14.628 3.244 1.307 1.00 1.13 C ATOM 280 NZ LYS A 17 15.566 3.718 2.357 1.00 22.25 N ATOM 0 H LYS A 17 12.561 -2.356 3.028 1.00 25.04 H new ATOM 0 HA LYS A 17 11.104 0.058 2.770 1.00 40.12 H new ATOM 0 HB2 LYS A 17 13.208 -0.219 4.051 1.00 45.52 H new ATOM 0 HB3 LYS A 17 14.080 -0.594 2.579 1.00 45.52 H new ATOM 0 HG2 LYS A 17 12.670 2.067 2.860 1.00 74.03 H new ATOM 0 HG3 LYS A 17 14.229 1.814 3.619 1.00 74.03 H new ATOM 0 HD2 LYS A 17 15.195 1.174 1.402 1.00 5.01 H new ATOM 0 HD3 LYS A 17 13.638 1.454 0.649 1.00 5.01 H new ATOM 0 HE2 LYS A 17 15.072 3.407 0.325 1.00 1.13 H new ATOM 0 HE3 LYS A 17 13.713 3.835 1.345 1.00 1.13 H new ATOM 0 HZ1 LYS A 17 15.931 4.657 2.098 1.00 22.25 H new ATOM 0 HZ2 LYS A 17 15.066 3.779 3.267 1.00 22.25 H new ATOM 0 HZ3 LYS A 17 16.359 3.050 2.442 1.00 22.25 H new ATOM 294 N GLY A 18 11.099 0.811 0.432 1.00 72.32 N ATOM 295 CA GLY A 18 11.075 1.276 -0.954 1.00 12.23 C ATOM 296 C GLY A 18 10.300 0.366 -1.905 1.00 4.21 C ATOM 297 O GLY A 18 10.442 0.470 -3.125 1.00 73.40 O ATOM 0 H GLY A 18 10.438 1.282 1.050 1.00 72.32 H new ATOM 0 HA2 GLY A 18 10.635 2.273 -0.984 1.00 12.23 H new ATOM 0 HA3 GLY A 18 12.100 1.369 -1.312 1.00 12.23 H new ATOM 301 N LYS A 19 9.488 -0.534 -1.355 1.00 4.25 N ATOM 302 CA LYS A 19 8.630 -1.404 -2.169 1.00 34.31 C ATOM 303 C LYS A 19 7.150 -1.228 -1.802 1.00 70.22 C ATOM 304 O LYS A 19 6.815 -0.842 -0.680 1.00 13.11 O ATOM 305 CB LYS A 19 9.040 -2.877 -2.010 1.00 74.23 C ATOM 306 CG LYS A 19 10.428 -3.201 -2.558 1.00 45.14 C ATOM 307 CD LYS A 19 10.537 -2.896 -4.050 1.00 55.42 C ATOM 308 CE LYS A 19 11.888 -3.319 -4.623 1.00 53.32 C ATOM 309 NZ LYS A 19 13.026 -2.662 -3.924 1.00 32.51 N ATOM 0 H LYS A 19 9.403 -0.683 -0.349 1.00 4.25 H new ATOM 0 HA LYS A 19 8.761 -1.112 -3.211 1.00 34.31 H new ATOM 0 HB2 LYS A 19 9.008 -3.140 -0.953 1.00 74.23 H new ATOM 0 HB3 LYS A 19 8.306 -3.504 -2.516 1.00 74.23 H new ATOM 0 HG2 LYS A 19 11.177 -2.625 -2.014 1.00 45.14 H new ATOM 0 HG3 LYS A 19 10.649 -4.254 -2.386 1.00 45.14 H new ATOM 0 HD2 LYS A 19 9.739 -3.411 -4.585 1.00 55.42 H new ATOM 0 HD3 LYS A 19 10.392 -1.828 -4.213 1.00 55.42 H new ATOM 0 HE2 LYS A 19 11.991 -4.401 -4.544 1.00 53.32 H new ATOM 0 HE3 LYS A 19 11.924 -3.072 -5.684 1.00 53.32 H new ATOM 0 HZ1 LYS A 19 13.911 -2.871 -4.429 1.00 32.51 H new ATOM 0 HZ2 LYS A 19 12.873 -1.633 -3.903 1.00 32.51 H new ATOM 0 HZ3 LYS A 19 13.090 -3.022 -2.951 1.00 32.51 H new ATOM 323 N VAL A 20 6.268 -1.517 -2.756 1.00 4.51 N ATOM 324 CA VAL A 20 4.824 -1.369 -2.553 1.00 52.54 C ATOM 325 C VAL A 20 4.084 -2.702 -2.740 1.00 0.45 C ATOM 326 O VAL A 20 4.659 -3.696 -3.189 1.00 63.21 O ATOM 327 CB VAL A 20 4.218 -0.319 -3.521 1.00 33.13 C ATOM 328 CG1 VAL A 20 4.860 1.049 -3.309 1.00 4.24 C ATOM 329 CG2 VAL A 20 4.358 -0.769 -4.975 1.00 4.25 C ATOM 0 H VAL A 20 6.527 -1.857 -3.682 1.00 4.51 H new ATOM 0 HA VAL A 20 4.693 -1.030 -1.525 1.00 52.54 H new ATOM 0 HB VAL A 20 3.154 -0.231 -3.299 1.00 33.13 H new ATOM 0 HG11 VAL A 20 4.419 1.769 -3.999 1.00 4.24 H new ATOM 0 HG12 VAL A 20 4.688 1.377 -2.284 1.00 4.24 H new ATOM 0 HG13 VAL A 20 5.932 0.980 -3.493 1.00 4.24 H new ATOM 0 HG21 VAL A 20 3.925 -0.015 -5.633 1.00 4.25 H new ATOM 0 HG22 VAL A 20 5.413 -0.898 -5.216 1.00 4.25 H new ATOM 0 HG23 VAL A 20 3.836 -1.715 -5.115 1.00 4.25 H new ATOM 339 N SER A 21 2.803 -2.707 -2.394 1.00 51.53 N ATOM 340 CA SER A 21 1.956 -3.895 -2.547 1.00 33.40 C ATOM 341 C SER A 21 0.511 -3.492 -2.861 1.00 61.20 C ATOM 342 O SER A 21 0.159 -2.315 -2.798 1.00 11.43 O ATOM 343 CB SER A 21 2.002 -4.758 -1.277 1.00 54.33 C ATOM 344 OG SER A 21 1.570 -4.030 -0.138 1.00 61.04 O ATOM 0 H SER A 21 2.320 -1.898 -2.002 1.00 51.53 H new ATOM 0 HA SER A 21 2.341 -4.482 -3.381 1.00 33.40 H new ATOM 0 HB2 SER A 21 1.371 -5.637 -1.410 1.00 54.33 H new ATOM 0 HB3 SER A 21 3.018 -5.117 -1.117 1.00 54.33 H new ATOM 0 HG SER A 21 2.225 -4.132 0.584 1.00 61.04 H new ATOM 350 N THR A 22 -0.323 -4.467 -3.214 1.00 60.43 N ATOM 351 CA THR A 22 -1.731 -4.197 -3.546 1.00 12.42 C ATOM 352 C THR A 22 -2.678 -4.825 -2.521 1.00 3.51 C ATOM 353 O THR A 22 -2.401 -5.900 -1.984 1.00 3.42 O ATOM 354 CB THR A 22 -2.106 -4.737 -4.947 1.00 44.11 C ATOM 355 OG1 THR A 22 -2.094 -6.171 -4.944 1.00 34.53 O ATOM 356 CG2 THR A 22 -1.141 -4.226 -6.011 1.00 51.01 C ATOM 0 H THR A 22 -0.056 -5.449 -3.279 1.00 60.43 H new ATOM 0 HA THR A 22 -1.841 -3.113 -3.535 1.00 12.42 H new ATOM 0 HB THR A 22 -3.108 -4.379 -5.184 1.00 44.11 H new ATOM 0 HG1 THR A 22 -2.971 -6.506 -5.225 1.00 34.53 H new ATOM 0 HG21 THR A 22 -1.430 -4.622 -6.985 1.00 51.01 H new ATOM 0 HG22 THR A 22 -1.173 -3.137 -6.038 1.00 51.01 H new ATOM 0 HG23 THR A 22 -0.129 -4.553 -5.772 1.00 51.01 H new ATOM 364 N TYR A 23 -3.802 -4.154 -2.260 1.00 42.32 N ATOM 365 CA TYR A 23 -4.815 -4.664 -1.322 1.00 41.33 C ATOM 366 C TYR A 23 -5.237 -6.096 -1.684 1.00 3.30 C ATOM 367 O TYR A 23 -5.437 -6.941 -0.805 1.00 32.24 O ATOM 368 CB TYR A 23 -6.050 -3.752 -1.316 1.00 43.21 C ATOM 369 CG TYR A 23 -5.729 -2.295 -1.044 1.00 34.41 C ATOM 370 CD1 TYR A 23 -5.209 -1.898 0.182 1.00 12.02 C ATOM 371 CD2 TYR A 23 -5.925 -1.320 -2.018 1.00 43.22 C ATOM 372 CE1 TYR A 23 -4.898 -0.576 0.430 1.00 22.14 C ATOM 373 CE2 TYR A 23 -5.611 0.004 -1.773 1.00 23.25 C ATOM 374 CZ TYR A 23 -5.098 0.368 -0.547 1.00 35.11 C ATOM 375 OH TYR A 23 -4.771 1.680 -0.300 1.00 5.05 O ATOM 0 H TYR A 23 -4.037 -3.256 -2.683 1.00 42.32 H new ATOM 0 HA TYR A 23 -4.368 -4.674 -0.328 1.00 41.33 H new ATOM 0 HB2 TYR A 23 -6.554 -3.830 -2.280 1.00 43.21 H new ATOM 0 HB3 TYR A 23 -6.750 -4.108 -0.560 1.00 43.21 H new ATOM 0 HD1 TYR A 23 -5.045 -2.636 0.954 1.00 12.02 H new ATOM 0 HD2 TYR A 23 -6.328 -1.602 -2.979 1.00 43.22 H new ATOM 0 HE1 TYR A 23 -4.498 -0.285 1.390 1.00 22.14 H new ATOM 0 HE2 TYR A 23 -5.767 0.749 -2.539 1.00 23.25 H new ATOM 0 HH TYR A 23 -3.797 1.768 -0.235 1.00 5.05 H new ATOM 385 N GLY A 24 -5.363 -6.357 -2.986 1.00 25.13 N ATOM 386 CA GLY A 24 -5.730 -7.683 -3.463 1.00 41.32 C ATOM 387 C GLY A 24 -4.725 -8.768 -3.088 1.00 1.50 C ATOM 388 O GLY A 24 -5.115 -9.865 -2.691 1.00 1.34 O ATOM 0 H GLY A 24 -5.216 -5.668 -3.723 1.00 25.13 H new ATOM 0 HA2 GLY A 24 -6.706 -7.948 -3.057 1.00 41.32 H new ATOM 0 HA3 GLY A 24 -5.833 -7.654 -4.548 1.00 41.32 H new ATOM 392 N GLU A 25 -3.429 -8.474 -3.220 1.00 23.00 N ATOM 393 CA GLU A 25 -2.383 -9.455 -2.893 1.00 23.02 C ATOM 394 C GLU A 25 -2.196 -9.603 -1.375 1.00 23.32 C ATOM 395 O GLU A 25 -1.966 -10.707 -0.877 1.00 61.50 O ATOM 396 CB GLU A 25 -1.051 -9.076 -3.556 1.00 11.10 C ATOM 397 CG GLU A 25 -1.088 -9.095 -5.084 1.00 61.14 C ATOM 398 CD GLU A 25 -1.552 -10.430 -5.654 1.00 72.31 C ATOM 399 OE1 GLU A 25 -0.791 -11.418 -5.574 1.00 74.01 O ATOM 400 OE2 GLU A 25 -2.684 -10.498 -6.185 1.00 71.22 O ATOM 0 H GLU A 25 -3.078 -7.574 -3.548 1.00 23.00 H new ATOM 0 HA GLU A 25 -2.710 -10.418 -3.286 1.00 23.02 H new ATOM 0 HB2 GLU A 25 -0.762 -8.079 -3.222 1.00 11.10 H new ATOM 0 HB3 GLU A 25 -0.278 -9.764 -3.213 1.00 11.10 H new ATOM 0 HG2 GLU A 25 -1.753 -8.306 -5.435 1.00 61.14 H new ATOM 0 HG3 GLU A 25 -0.094 -8.868 -5.468 1.00 61.14 H new ATOM 407 N ILE A 26 -2.295 -8.492 -0.645 1.00 73.51 N ATOM 408 CA ILE A 26 -2.191 -8.512 0.819 1.00 2.22 C ATOM 409 C ILE A 26 -3.229 -9.466 1.434 1.00 44.21 C ATOM 410 O ILE A 26 -2.878 -10.418 2.136 1.00 52.54 O ATOM 411 CB ILE A 26 -2.371 -7.090 1.417 1.00 51.21 C ATOM 412 CG1 ILE A 26 -1.220 -6.163 0.979 1.00 5.13 C ATOM 413 CG2 ILE A 26 -2.466 -7.146 2.942 1.00 54.24 C ATOM 414 CD1 ILE A 26 0.150 -6.622 1.438 1.00 73.51 C ATOM 0 H ILE A 26 -2.447 -7.565 -1.042 1.00 73.51 H new ATOM 0 HA ILE A 26 -1.192 -8.870 1.066 1.00 2.22 H new ATOM 0 HB ILE A 26 -3.306 -6.680 1.034 1.00 51.21 H new ATOM 0 HG12 ILE A 26 -1.221 -6.088 -0.108 1.00 5.13 H new ATOM 0 HG13 ILE A 26 -1.406 -5.162 1.368 1.00 5.13 H new ATOM 0 HG21 ILE A 26 -2.592 -6.137 3.336 1.00 54.24 H new ATOM 0 HG22 ILE A 26 -3.321 -7.758 3.231 1.00 54.24 H new ATOM 0 HG23 ILE A 26 -1.553 -7.583 3.348 1.00 54.24 H new ATOM 0 HD11 ILE A 26 0.905 -5.917 1.090 1.00 73.51 H new ATOM 0 HD12 ILE A 26 0.172 -6.669 2.527 1.00 73.51 H new ATOM 0 HD13 ILE A 26 0.359 -7.610 1.028 1.00 73.51 H new ATOM 426 N ALA A 27 -4.504 -9.214 1.149 1.00 4.20 N ATOM 427 CA ALA A 27 -5.589 -10.074 1.628 1.00 43.01 C ATOM 428 C ALA A 27 -5.419 -11.519 1.121 1.00 43.01 C ATOM 429 O ALA A 27 -5.543 -12.479 1.883 1.00 3.22 O ATOM 430 CB ALA A 27 -6.930 -9.498 1.191 1.00 1.44 C ATOM 0 H ALA A 27 -4.814 -8.421 0.588 1.00 4.20 H new ATOM 0 HA ALA A 27 -5.555 -10.105 2.717 1.00 43.01 H new ATOM 0 HB1 ALA A 27 -7.735 -10.140 1.549 1.00 1.44 H new ATOM 0 HB2 ALA A 27 -7.050 -8.498 1.608 1.00 1.44 H new ATOM 0 HB3 ALA A 27 -6.965 -9.444 0.103 1.00 1.44 H new ATOM 436 N LYS A 28 -5.111 -11.649 -0.170 1.00 4.52 N ATOM 437 CA LYS A 28 -4.855 -12.949 -0.810 1.00 2.23 C ATOM 438 C LYS A 28 -3.858 -13.809 -0.010 1.00 2.34 C ATOM 439 O LYS A 28 -4.121 -14.980 0.278 1.00 55.01 O ATOM 440 CB LYS A 28 -4.319 -12.696 -2.228 1.00 40.32 C ATOM 441 CG LYS A 28 -3.696 -13.906 -2.917 1.00 42.12 C ATOM 442 CD LYS A 28 -3.065 -13.499 -4.248 1.00 11.33 C ATOM 443 CE LYS A 28 -2.233 -14.614 -4.864 1.00 53.21 C ATOM 444 NZ LYS A 28 -1.517 -14.144 -6.080 1.00 11.34 N ATOM 0 H LYS A 28 -5.031 -10.856 -0.807 1.00 4.52 H new ATOM 0 HA LYS A 28 -5.791 -13.507 -0.846 1.00 2.23 H new ATOM 0 HB2 LYS A 28 -5.137 -12.328 -2.847 1.00 40.32 H new ATOM 0 HB3 LYS A 28 -3.573 -11.902 -2.180 1.00 40.32 H new ATOM 0 HG2 LYS A 28 -2.940 -14.350 -2.270 1.00 42.12 H new ATOM 0 HG3 LYS A 28 -4.458 -14.667 -3.087 1.00 42.12 H new ATOM 0 HD2 LYS A 28 -3.851 -13.209 -4.945 1.00 11.33 H new ATOM 0 HD3 LYS A 28 -2.435 -12.622 -4.095 1.00 11.33 H new ATOM 0 HE2 LYS A 28 -1.512 -14.979 -4.133 1.00 53.21 H new ATOM 0 HE3 LYS A 28 -2.879 -15.453 -5.121 1.00 53.21 H new ATOM 0 HZ1 LYS A 28 -0.672 -14.730 -6.233 1.00 11.34 H new ATOM 0 HZ2 LYS A 28 -2.146 -14.221 -6.905 1.00 11.34 H new ATOM 0 HZ3 LYS A 28 -1.232 -13.152 -5.953 1.00 11.34 H new ATOM 458 N MET A 29 -2.717 -13.222 0.349 1.00 43.22 N ATOM 459 CA MET A 29 -1.664 -13.947 1.077 1.00 20.34 C ATOM 460 C MET A 29 -1.959 -14.044 2.584 1.00 23.03 C ATOM 461 O MET A 29 -1.402 -14.894 3.280 1.00 62.43 O ATOM 462 CB MET A 29 -0.302 -13.288 0.830 1.00 15.21 C ATOM 463 CG MET A 29 0.157 -13.388 -0.621 1.00 74.33 C ATOM 464 SD MET A 29 1.728 -12.552 -0.924 1.00 1.22 S ATOM 465 CE MET A 29 1.268 -10.844 -0.643 1.00 4.14 C ATOM 0 H MET A 29 -2.494 -12.247 0.150 1.00 43.22 H new ATOM 0 HA MET A 29 -1.641 -14.967 0.693 1.00 20.34 H new ATOM 0 HB2 MET A 29 -0.356 -12.238 1.116 1.00 15.21 H new ATOM 0 HB3 MET A 29 0.443 -13.756 1.474 1.00 15.21 H new ATOM 0 HG2 MET A 29 0.252 -14.439 -0.894 1.00 74.33 H new ATOM 0 HG3 MET A 29 -0.607 -12.958 -1.268 1.00 74.33 H new ATOM 0 HE1 MET A 29 2.041 -10.188 -1.043 1.00 4.14 H new ATOM 0 HE2 MET A 29 0.321 -10.635 -1.142 1.00 4.14 H new ATOM 0 HE3 MET A 29 1.161 -10.667 0.427 1.00 4.14 H new ATOM 475 N ALA A 30 -2.841 -13.178 3.083 1.00 61.54 N ATOM 476 CA ALA A 30 -3.275 -13.233 4.488 1.00 43.51 C ATOM 477 C ALA A 30 -4.321 -14.339 4.719 1.00 73.35 C ATOM 478 O ALA A 30 -4.702 -14.620 5.857 1.00 60.42 O ATOM 479 CB ALA A 30 -3.838 -11.882 4.914 1.00 55.21 C ATOM 0 H ALA A 30 -3.271 -12.429 2.540 1.00 61.54 H new ATOM 0 HA ALA A 30 -2.402 -13.471 5.096 1.00 43.51 H new ATOM 0 HB1 ALA A 30 -4.157 -11.933 5.955 1.00 55.21 H new ATOM 0 HB2 ALA A 30 -3.069 -11.117 4.807 1.00 55.21 H new ATOM 0 HB3 ALA A 30 -4.692 -11.629 4.285 1.00 55.21 H new ATOM 485 N GLY A 31 -4.784 -14.954 3.630 1.00 43.34 N ATOM 486 CA GLY A 31 -5.775 -16.025 3.726 1.00 24.44 C ATOM 487 C GLY A 31 -7.208 -15.536 3.525 1.00 2.45 C ATOM 488 O GLY A 31 -8.167 -16.237 3.858 1.00 43.52 O ATOM 0 H GLY A 31 -4.491 -14.731 2.679 1.00 43.34 H new ATOM 0 HA2 GLY A 31 -5.550 -16.788 2.981 1.00 24.44 H new ATOM 0 HA3 GLY A 31 -5.694 -16.501 4.703 1.00 24.44 H new ATOM 492 N TYR A 32 -7.350 -14.331 2.977 1.00 63.24 N ATOM 493 CA TYR A 32 -8.666 -13.739 2.699 1.00 75.23 C ATOM 494 C TYR A 32 -8.730 -13.208 1.254 1.00 53.31 C ATOM 495 O TYR A 32 -8.458 -12.036 1.009 1.00 51.21 O ATOM 496 CB TYR A 32 -8.951 -12.593 3.681 1.00 5.13 C ATOM 497 CG TYR A 32 -8.841 -12.979 5.143 1.00 52.02 C ATOM 498 CD1 TYR A 32 -9.891 -13.612 5.799 1.00 33.24 C ATOM 499 CD2 TYR A 32 -7.687 -12.701 5.869 1.00 45.31 C ATOM 500 CE1 TYR A 32 -9.793 -13.957 7.133 1.00 63.44 C ATOM 501 CE2 TYR A 32 -7.586 -13.041 7.202 1.00 4.44 C ATOM 502 CZ TYR A 32 -8.639 -13.669 7.830 1.00 24.25 C ATOM 503 OH TYR A 32 -8.540 -14.005 9.165 1.00 3.24 O ATOM 0 H TYR A 32 -6.564 -13.737 2.713 1.00 63.24 H new ATOM 0 HA TYR A 32 -9.421 -14.516 2.822 1.00 75.23 H new ATOM 0 HB2 TYR A 32 -8.256 -11.777 3.480 1.00 5.13 H new ATOM 0 HB3 TYR A 32 -9.954 -12.211 3.493 1.00 5.13 H new ATOM 0 HD1 TYR A 32 -10.798 -13.837 5.257 1.00 33.24 H new ATOM 0 HD2 TYR A 32 -6.857 -12.211 5.381 1.00 45.31 H new ATOM 0 HE1 TYR A 32 -10.617 -14.450 7.628 1.00 63.44 H new ATOM 0 HE2 TYR A 32 -6.684 -12.816 7.752 1.00 4.44 H new ATOM 0 HH TYR A 32 -7.703 -14.491 9.319 1.00 3.24 H new ATOM 513 N PRO A 33 -9.079 -14.064 0.273 1.00 12.11 N ATOM 514 CA PRO A 33 -9.028 -13.689 -1.155 1.00 71.32 C ATOM 515 C PRO A 33 -9.976 -12.531 -1.544 1.00 61.34 C ATOM 516 O PRO A 33 -9.544 -11.547 -2.150 1.00 74.10 O ATOM 517 CB PRO A 33 -9.414 -14.990 -1.884 1.00 63.11 C ATOM 518 CG PRO A 33 -10.152 -15.801 -0.868 1.00 33.24 C ATOM 519 CD PRO A 33 -9.546 -15.453 0.465 1.00 73.34 C ATOM 0 HA PRO A 33 -8.043 -13.306 -1.420 1.00 71.32 H new ATOM 0 HB2 PRO A 33 -10.038 -14.784 -2.753 1.00 63.11 H new ATOM 0 HB3 PRO A 33 -8.531 -15.518 -2.244 1.00 63.11 H new ATOM 0 HG2 PRO A 33 -11.217 -15.570 -0.884 1.00 33.24 H new ATOM 0 HG3 PRO A 33 -10.054 -16.867 -1.074 1.00 33.24 H new ATOM 0 HD2 PRO A 33 -10.277 -15.524 1.270 1.00 73.34 H new ATOM 0 HD3 PRO A 33 -8.724 -16.122 0.721 1.00 73.34 H new ATOM 527 N GLY A 34 -11.256 -12.642 -1.193 1.00 10.51 N ATOM 528 CA GLY A 34 -12.242 -11.649 -1.625 1.00 12.43 C ATOM 529 C GLY A 34 -12.564 -10.589 -0.571 1.00 4.51 C ATOM 530 O GLY A 34 -13.727 -10.408 -0.201 1.00 34.34 O ATOM 0 H GLY A 34 -11.632 -13.397 -0.619 1.00 10.51 H new ATOM 0 HA2 GLY A 34 -11.873 -11.153 -2.523 1.00 12.43 H new ATOM 0 HA3 GLY A 34 -13.163 -12.163 -1.901 1.00 12.43 H new ATOM 534 N TYR A 35 -11.539 -9.877 -0.096 1.00 73.05 N ATOM 535 CA TYR A 35 -11.728 -8.820 0.918 1.00 41.10 C ATOM 536 C TYR A 35 -10.815 -7.601 0.672 1.00 62.43 C ATOM 537 O TYR A 35 -10.570 -6.808 1.587 1.00 64.44 O ATOM 538 CB TYR A 35 -11.455 -9.372 2.326 1.00 64.21 C ATOM 539 CG TYR A 35 -12.422 -10.451 2.785 1.00 25.05 C ATOM 540 CD1 TYR A 35 -13.619 -10.125 3.419 1.00 30.20 C ATOM 541 CD2 TYR A 35 -12.131 -11.794 2.595 1.00 71.21 C ATOM 542 CE1 TYR A 35 -14.491 -11.109 3.846 1.00 11.22 C ATOM 543 CE2 TYR A 35 -12.994 -12.779 3.022 1.00 71.23 C ATOM 544 CZ TYR A 35 -14.171 -12.436 3.645 1.00 35.34 C ATOM 545 OH TYR A 35 -15.024 -13.426 4.076 1.00 0.34 O ATOM 0 H TYR A 35 -10.571 -10.007 -0.391 1.00 73.05 H new ATOM 0 HA TYR A 35 -12.764 -8.491 0.837 1.00 41.10 H new ATOM 0 HB2 TYR A 35 -10.443 -9.775 2.353 1.00 64.21 H new ATOM 0 HB3 TYR A 35 -11.489 -8.547 3.037 1.00 64.21 H new ATOM 0 HD1 TYR A 35 -13.870 -9.087 3.579 1.00 30.20 H new ATOM 0 HD2 TYR A 35 -11.211 -12.072 2.103 1.00 71.21 H new ATOM 0 HE1 TYR A 35 -15.417 -10.841 4.334 1.00 11.22 H new ATOM 0 HE2 TYR A 35 -12.747 -13.819 2.868 1.00 71.23 H new ATOM 0 HH TYR A 35 -14.647 -14.303 3.854 1.00 0.34 H new ATOM 555 N ALA A 36 -10.342 -7.434 -0.564 1.00 5.34 N ATOM 556 CA ALA A 36 -9.406 -6.349 -0.904 1.00 30.12 C ATOM 557 C ALA A 36 -9.936 -4.959 -0.503 1.00 42.03 C ATOM 558 O ALA A 36 -9.192 -4.124 0.018 1.00 15.40 O ATOM 559 CB ALA A 36 -9.089 -6.381 -2.395 1.00 2.23 C ATOM 0 H ALA A 36 -10.589 -8.035 -1.351 1.00 5.34 H new ATOM 0 HA ALA A 36 -8.495 -6.519 -0.330 1.00 30.12 H new ATOM 0 HB1 ALA A 36 -8.396 -5.575 -2.637 1.00 2.23 H new ATOM 0 HB2 ALA A 36 -8.635 -7.339 -2.650 1.00 2.23 H new ATOM 0 HB3 ALA A 36 -10.009 -6.252 -2.965 1.00 2.23 H new ATOM 565 N ARG A 37 -11.223 -4.715 -0.748 1.00 64.31 N ATOM 566 CA ARG A 37 -11.851 -3.432 -0.407 1.00 2.33 C ATOM 567 C ARG A 37 -11.792 -3.164 1.104 1.00 51.55 C ATOM 568 O ARG A 37 -11.438 -2.064 1.536 1.00 1.02 O ATOM 569 CB ARG A 37 -13.313 -3.409 -0.881 1.00 73.13 C ATOM 570 CG ARG A 37 -14.046 -2.108 -0.553 1.00 12.12 C ATOM 571 CD ARG A 37 -15.508 -2.145 -0.990 1.00 60.14 C ATOM 572 NE ARG A 37 -15.652 -2.296 -2.441 1.00 10.12 N ATOM 573 CZ ARG A 37 -16.776 -2.135 -3.091 1.00 55.30 C ATOM 574 NH1 ARG A 37 -17.871 -1.846 -2.462 1.00 62.14 N ATOM 575 NH2 ARG A 37 -16.804 -2.281 -4.374 1.00 63.31 N ATOM 0 H ARG A 37 -11.855 -5.388 -1.182 1.00 64.31 H new ATOM 0 HA ARG A 37 -11.294 -2.646 -0.916 1.00 2.33 H new ATOM 0 HB2 ARG A 37 -13.339 -3.568 -1.959 1.00 73.13 H new ATOM 0 HB3 ARG A 37 -13.847 -4.242 -0.423 1.00 73.13 H new ATOM 0 HG2 ARG A 37 -13.994 -1.924 0.520 1.00 12.12 H new ATOM 0 HG3 ARG A 37 -13.543 -1.275 -1.044 1.00 12.12 H new ATOM 0 HD2 ARG A 37 -16.014 -2.971 -0.489 1.00 60.14 H new ATOM 0 HD3 ARG A 37 -16.003 -1.228 -0.672 1.00 60.14 H new ATOM 0 HE ARG A 37 -14.821 -2.543 -2.979 1.00 10.12 H new ATOM 0 HH11 ARG A 37 -17.864 -1.741 -1.447 1.00 62.14 H new ATOM 0 HH12 ARG A 37 -18.740 -1.723 -2.981 1.00 62.14 H new ATOM 0 HH21 ARG A 37 -15.951 -2.521 -4.879 1.00 63.31 H new ATOM 0 HH22 ARG A 37 -17.679 -2.156 -4.883 1.00 63.31 H new ATOM 589 N HIS A 38 -12.130 -4.180 1.897 1.00 43.54 N ATOM 590 CA HIS A 38 -12.141 -4.061 3.361 1.00 72.42 C ATOM 591 C HIS A 38 -10.746 -3.703 3.901 1.00 33.33 C ATOM 592 O HIS A 38 -10.614 -2.925 4.853 1.00 72.23 O ATOM 593 CB HIS A 38 -12.641 -5.366 3.993 1.00 24.24 C ATOM 594 CG HIS A 38 -14.018 -5.752 3.543 1.00 13.41 C ATOM 595 ND1 HIS A 38 -15.138 -5.271 4.173 1.00 2.33 N ATOM 596 CD2 HIS A 38 -14.399 -6.567 2.529 1.00 23.12 C ATOM 597 CE1 HIS A 38 -16.167 -5.799 3.537 1.00 2.24 C ATOM 598 NE2 HIS A 38 -15.770 -6.590 2.532 1.00 22.42 N ATOM 0 H HIS A 38 -12.402 -5.100 1.551 1.00 43.54 H new ATOM 0 HA HIS A 38 -12.821 -3.253 3.631 1.00 72.42 H new ATOM 0 HB2 HIS A 38 -11.947 -6.170 3.747 1.00 24.24 H new ATOM 0 HB3 HIS A 38 -12.637 -5.261 5.078 1.00 24.24 H new ATOM 0 HD2 HIS A 38 -13.748 -7.096 1.849 1.00 23.12 H new ATOM 0 HE1 HIS A 38 -17.200 -5.616 3.795 1.00 2.24 H new ATOM 0 HE2 HIS A 38 -16.371 -7.109 1.892 1.00 22.42 H new ATOM 606 N VAL A 39 -9.710 -4.269 3.278 1.00 44.42 N ATOM 607 CA VAL A 39 -8.320 -3.930 3.610 1.00 53.34 C ATOM 608 C VAL A 39 -8.051 -2.434 3.384 1.00 2.41 C ATOM 609 O VAL A 39 -7.575 -1.730 4.279 1.00 45.34 O ATOM 610 CB VAL A 39 -7.318 -4.759 2.762 1.00 2.01 C ATOM 611 CG1 VAL A 39 -5.875 -4.430 3.145 1.00 13.55 C ATOM 612 CG2 VAL A 39 -7.594 -6.256 2.905 1.00 74.10 C ATOM 0 H VAL A 39 -9.805 -4.966 2.539 1.00 44.42 H new ATOM 0 HA VAL A 39 -8.176 -4.169 4.664 1.00 53.34 H new ATOM 0 HB VAL A 39 -7.457 -4.489 1.715 1.00 2.01 H new ATOM 0 HG11 VAL A 39 -5.193 -5.024 2.537 1.00 13.55 H new ATOM 0 HG12 VAL A 39 -5.686 -3.370 2.973 1.00 13.55 H new ATOM 0 HG13 VAL A 39 -5.716 -4.661 4.198 1.00 13.55 H new ATOM 0 HG21 VAL A 39 -6.880 -6.817 2.302 1.00 74.10 H new ATOM 0 HG22 VAL A 39 -7.493 -6.546 3.951 1.00 74.10 H new ATOM 0 HG23 VAL A 39 -8.606 -6.474 2.564 1.00 74.10 H new ATOM 622 N GLY A 40 -8.378 -1.957 2.181 1.00 12.31 N ATOM 623 CA GLY A 40 -8.192 -0.547 1.845 1.00 24.33 C ATOM 624 C GLY A 40 -8.950 0.398 2.773 1.00 15.55 C ATOM 625 O GLY A 40 -8.429 1.441 3.171 1.00 14.43 O ATOM 0 H GLY A 40 -8.770 -2.523 1.429 1.00 12.31 H new ATOM 0 HA2 GLY A 40 -7.129 -0.308 1.883 1.00 24.33 H new ATOM 0 HA3 GLY A 40 -8.520 -0.378 0.819 1.00 24.33 H new ATOM 629 N LYS A 41 -10.183 0.027 3.118 1.00 34.41 N ATOM 630 CA LYS A 41 -11.005 0.828 4.035 1.00 22.02 C ATOM 631 C LYS A 41 -10.342 0.961 5.415 1.00 22.40 C ATOM 632 O LYS A 41 -10.351 2.033 6.016 1.00 34.22 O ATOM 633 CB LYS A 41 -12.400 0.201 4.184 1.00 73.33 C ATOM 634 CG LYS A 41 -13.232 0.217 2.901 1.00 44.24 C ATOM 635 CD LYS A 41 -13.563 1.640 2.449 1.00 23.32 C ATOM 636 CE LYS A 41 -14.393 2.393 3.487 1.00 50.24 C ATOM 637 NZ LYS A 41 -14.768 3.756 3.025 1.00 51.52 N ATOM 0 H LYS A 41 -10.637 -0.821 2.779 1.00 34.41 H new ATOM 0 HA LYS A 41 -11.101 1.826 3.608 1.00 22.02 H new ATOM 0 HB2 LYS A 41 -12.289 -0.830 4.520 1.00 73.33 H new ATOM 0 HB3 LYS A 41 -12.944 0.733 4.964 1.00 73.33 H new ATOM 0 HG2 LYS A 41 -12.687 -0.297 2.109 1.00 44.24 H new ATOM 0 HG3 LYS A 41 -14.157 -0.336 3.062 1.00 44.24 H new ATOM 0 HD2 LYS A 41 -12.638 2.185 2.261 1.00 23.32 H new ATOM 0 HD3 LYS A 41 -14.109 1.603 1.506 1.00 23.32 H new ATOM 0 HE2 LYS A 41 -15.296 1.825 3.709 1.00 50.24 H new ATOM 0 HE3 LYS A 41 -13.828 2.469 4.416 1.00 50.24 H new ATOM 0 HZ1 LYS A 41 -15.330 4.230 3.761 1.00 51.52 H new ATOM 0 HZ2 LYS A 41 -13.907 4.308 2.838 1.00 51.52 H new ATOM 0 HZ3 LYS A 41 -15.330 3.685 2.153 1.00 51.52 H new ATOM 651 N ALA A 42 -9.757 -0.133 5.904 1.00 21.32 N ATOM 652 CA ALA A 42 -9.081 -0.138 7.210 1.00 70.24 C ATOM 653 C ALA A 42 -7.816 0.733 7.193 1.00 62.30 C ATOM 654 O ALA A 42 -7.619 1.581 8.063 1.00 44.51 O ATOM 655 CB ALA A 42 -8.734 -1.568 7.617 1.00 13.31 C ATOM 0 H ALA A 42 -9.736 -1.030 5.418 1.00 21.32 H new ATOM 0 HA ALA A 42 -9.766 0.287 7.943 1.00 70.24 H new ATOM 0 HB1 ALA A 42 -8.234 -1.559 8.585 1.00 13.31 H new ATOM 0 HB2 ALA A 42 -9.648 -2.159 7.686 1.00 13.31 H new ATOM 0 HB3 ALA A 42 -8.072 -2.008 6.871 1.00 13.31 H new ATOM 661 N LEU A 43 -6.969 0.520 6.189 1.00 55.32 N ATOM 662 CA LEU A 43 -5.719 1.277 6.048 1.00 62.43 C ATOM 663 C LEU A 43 -5.981 2.781 5.866 1.00 63.05 C ATOM 664 O LEU A 43 -5.247 3.617 6.388 1.00 31.42 O ATOM 665 CB LEU A 43 -4.900 0.728 4.871 1.00 32.44 C ATOM 666 CG LEU A 43 -4.440 -0.732 5.030 1.00 45.11 C ATOM 667 CD1 LEU A 43 -3.690 -1.207 3.790 1.00 15.32 C ATOM 668 CD2 LEU A 43 -3.576 -0.886 6.278 1.00 61.11 C ATOM 0 H LEU A 43 -7.123 -0.173 5.456 1.00 55.32 H new ATOM 0 HA LEU A 43 -5.149 1.154 6.969 1.00 62.43 H new ATOM 0 HB2 LEU A 43 -5.497 0.809 3.962 1.00 32.44 H new ATOM 0 HB3 LEU A 43 -4.021 1.358 4.733 1.00 32.44 H new ATOM 0 HG LEU A 43 -5.325 -1.357 5.145 1.00 45.11 H new ATOM 0 HD11 LEU A 43 -3.376 -2.242 3.929 1.00 15.32 H new ATOM 0 HD12 LEU A 43 -4.344 -1.140 2.921 1.00 15.32 H new ATOM 0 HD13 LEU A 43 -2.813 -0.580 3.633 1.00 15.32 H new ATOM 0 HD21 LEU A 43 -3.259 -1.924 6.375 1.00 61.11 H new ATOM 0 HD22 LEU A 43 -2.698 -0.245 6.194 1.00 61.11 H new ATOM 0 HD23 LEU A 43 -4.152 -0.599 7.157 1.00 61.11 H new ATOM 680 N GLY A 44 -7.047 3.114 5.140 1.00 54.30 N ATOM 681 CA GLY A 44 -7.410 4.512 4.931 1.00 34.40 C ATOM 682 C GLY A 44 -7.791 5.242 6.220 1.00 41.24 C ATOM 683 O GLY A 44 -7.852 6.473 6.251 1.00 31.32 O ATOM 0 H GLY A 44 -7.668 2.441 4.691 1.00 54.30 H new ATOM 0 HA2 GLY A 44 -6.573 5.030 4.463 1.00 34.40 H new ATOM 0 HA3 GLY A 44 -8.246 4.562 4.234 1.00 34.40 H new ATOM 687 N ASN A 45 -8.051 4.484 7.286 1.00 62.10 N ATOM 688 CA ASN A 45 -8.436 5.064 8.582 1.00 60.12 C ATOM 689 C ASN A 45 -7.226 5.249 9.514 1.00 2.00 C ATOM 690 O ASN A 45 -7.370 5.728 10.641 1.00 73.14 O ATOM 691 CB ASN A 45 -9.482 4.177 9.268 1.00 22.13 C ATOM 692 CG ASN A 45 -10.715 3.967 8.411 1.00 33.23 C ATOM 693 OD1 ASN A 45 -11.078 4.812 7.593 1.00 4.33 O ATOM 694 ND2 ASN A 45 -11.375 2.842 8.593 1.00 61.42 N ATOM 0 H ASN A 45 -8.003 3.465 7.282 1.00 62.10 H new ATOM 0 HA ASN A 45 -8.859 6.049 8.383 1.00 60.12 H new ATOM 0 HB2 ASN A 45 -9.037 3.210 9.502 1.00 22.13 H new ATOM 0 HB3 ASN A 45 -9.774 4.631 10.215 1.00 22.13 H new ATOM 0 HD21 ASN A 45 -12.215 2.649 8.047 1.00 61.42 H new ATOM 0 HD22 ASN A 45 -11.046 2.163 9.280 1.00 61.42 H new ATOM 701 N LEU A 46 -6.040 4.867 9.047 1.00 43.55 N ATOM 702 CA LEU A 46 -4.812 5.010 9.839 1.00 33.23 C ATOM 703 C LEU A 46 -4.225 6.428 9.712 1.00 3.32 C ATOM 704 O LEU A 46 -4.377 7.079 8.678 1.00 60.54 O ATOM 705 CB LEU A 46 -3.764 3.975 9.396 1.00 43.43 C ATOM 706 CG LEU A 46 -4.156 2.501 9.604 1.00 21.24 C ATOM 707 CD1 LEU A 46 -3.087 1.579 9.027 1.00 64.41 C ATOM 708 CD2 LEU A 46 -4.380 2.200 11.086 1.00 52.10 C ATOM 0 H LEU A 46 -5.899 4.455 8.124 1.00 43.55 H new ATOM 0 HA LEU A 46 -5.072 4.837 10.883 1.00 33.23 H new ATOM 0 HB2 LEU A 46 -3.551 4.130 8.338 1.00 43.43 H new ATOM 0 HB3 LEU A 46 -2.838 4.166 9.939 1.00 43.43 H new ATOM 0 HG LEU A 46 -5.092 2.320 9.076 1.00 21.24 H new ATOM 0 HD11 LEU A 46 -3.380 0.541 9.182 1.00 64.41 H new ATOM 0 HD12 LEU A 46 -2.980 1.770 7.959 1.00 64.41 H new ATOM 0 HD13 LEU A 46 -2.136 1.767 9.526 1.00 64.41 H new ATOM 0 HD21 LEU A 46 -4.656 1.152 11.207 1.00 52.10 H new ATOM 0 HD22 LEU A 46 -3.463 2.400 11.641 1.00 52.10 H new ATOM 0 HD23 LEU A 46 -5.181 2.833 11.469 1.00 52.10 H new ATOM 720 N PRO A 47 -3.572 6.941 10.773 1.00 52.13 N ATOM 721 CA PRO A 47 -2.853 8.226 10.707 1.00 44.41 C ATOM 722 C PRO A 47 -1.556 8.113 9.888 1.00 13.55 C ATOM 723 O PRO A 47 -1.007 7.019 9.739 1.00 52.51 O ATOM 724 CB PRO A 47 -2.542 8.526 12.179 1.00 35.54 C ATOM 725 CG PRO A 47 -2.478 7.186 12.831 1.00 61.33 C ATOM 726 CD PRO A 47 -3.495 6.332 12.119 1.00 54.21 C ATOM 0 HA PRO A 47 -3.434 9.006 10.216 1.00 44.41 H new ATOM 0 HB2 PRO A 47 -1.599 9.063 12.283 1.00 35.54 H new ATOM 0 HB3 PRO A 47 -3.315 9.149 12.629 1.00 35.54 H new ATOM 0 HG2 PRO A 47 -1.479 6.757 12.746 1.00 61.33 H new ATOM 0 HG3 PRO A 47 -2.704 7.258 13.895 1.00 61.33 H new ATOM 0 HD2 PRO A 47 -3.181 5.289 12.071 1.00 54.21 H new ATOM 0 HD3 PRO A 47 -4.460 6.351 12.625 1.00 54.21 H new ATOM 734 N GLU A 48 -1.063 9.236 9.357 1.00 71.44 N ATOM 735 CA GLU A 48 0.169 9.226 8.556 1.00 51.44 C ATOM 736 C GLU A 48 1.315 8.515 9.296 1.00 25.25 C ATOM 737 O GLU A 48 1.858 7.519 8.814 1.00 14.33 O ATOM 738 CB GLU A 48 0.591 10.655 8.187 1.00 72.21 C ATOM 739 CG GLU A 48 1.892 10.712 7.392 1.00 52.11 C ATOM 740 CD GLU A 48 2.354 12.126 7.083 1.00 10.41 C ATOM 741 OE1 GLU A 48 2.677 12.873 8.028 1.00 65.44 O ATOM 742 OE2 GLU A 48 2.439 12.486 5.894 1.00 41.33 O ATOM 0 H GLU A 48 -1.491 10.155 9.464 1.00 71.44 H new ATOM 0 HA GLU A 48 -0.042 8.672 7.641 1.00 51.44 H new ATOM 0 HB2 GLU A 48 -0.203 11.123 7.605 1.00 72.21 H new ATOM 0 HB3 GLU A 48 0.705 11.240 9.099 1.00 72.21 H new ATOM 0 HG2 GLU A 48 2.673 10.198 7.952 1.00 52.11 H new ATOM 0 HG3 GLU A 48 1.760 10.169 6.456 1.00 52.11 H new ATOM 749 N GLY A 49 1.664 9.021 10.477 1.00 42.12 N ATOM 750 CA GLY A 49 2.696 8.389 11.293 1.00 12.21 C ATOM 751 C GLY A 49 2.163 7.226 12.128 1.00 62.43 C ATOM 752 O GLY A 49 2.314 7.204 13.352 1.00 20.40 O ATOM 0 H GLY A 49 1.251 9.859 10.887 1.00 42.12 H new ATOM 0 HA2 GLY A 49 3.495 8.028 10.645 1.00 12.21 H new ATOM 0 HA3 GLY A 49 3.135 9.134 11.956 1.00 12.21 H new ATOM 756 N SER A 50 1.533 6.261 11.463 1.00 41.10 N ATOM 757 CA SER A 50 0.979 5.078 12.138 1.00 14.25 C ATOM 758 C SER A 50 2.068 4.048 12.462 1.00 10.31 C ATOM 759 O SER A 50 3.158 4.075 11.887 1.00 61.25 O ATOM 760 CB SER A 50 -0.096 4.415 11.261 1.00 24.35 C ATOM 761 OG SER A 50 -0.584 3.216 11.849 1.00 60.43 O ATOM 0 H SER A 50 1.390 6.270 10.453 1.00 41.10 H new ATOM 0 HA SER A 50 0.536 5.419 13.074 1.00 14.25 H new ATOM 0 HB2 SER A 50 -0.922 5.109 11.110 1.00 24.35 H new ATOM 0 HB3 SER A 50 0.320 4.196 10.278 1.00 24.35 H new ATOM 0 HG SER A 50 -1.267 2.821 11.267 1.00 60.43 H new ATOM 767 N LYS A 51 1.766 3.145 13.392 1.00 1.23 N ATOM 768 CA LYS A 51 2.658 2.020 13.702 1.00 75.33 C ATOM 769 C LYS A 51 2.754 1.065 12.501 1.00 65.14 C ATOM 770 O LYS A 51 3.764 0.391 12.295 1.00 75.53 O ATOM 771 CB LYS A 51 2.140 1.265 14.937 1.00 21.21 C ATOM 772 CG LYS A 51 2.995 0.067 15.339 1.00 32.32 C ATOM 773 CD LYS A 51 2.400 -0.676 16.531 1.00 32.30 C ATOM 774 CE LYS A 51 3.261 -1.864 16.942 1.00 64.40 C ATOM 775 NZ LYS A 51 4.630 -1.448 17.344 1.00 43.44 N ATOM 0 H LYS A 51 0.910 3.167 13.947 1.00 1.23 H new ATOM 0 HA LYS A 51 3.653 2.411 13.915 1.00 75.33 H new ATOM 0 HB2 LYS A 51 2.086 1.958 15.777 1.00 21.21 H new ATOM 0 HB3 LYS A 51 1.124 0.923 14.741 1.00 21.21 H new ATOM 0 HG2 LYS A 51 3.086 -0.615 14.494 1.00 32.32 H new ATOM 0 HG3 LYS A 51 4.001 0.405 15.586 1.00 32.32 H new ATOM 0 HD2 LYS A 51 2.299 0.009 17.373 1.00 32.30 H new ATOM 0 HD3 LYS A 51 1.398 -1.023 16.280 1.00 32.30 H new ATOM 0 HE2 LYS A 51 2.784 -2.388 17.770 1.00 64.40 H new ATOM 0 HE3 LYS A 51 3.325 -2.569 16.113 1.00 64.40 H new ATOM 0 HZ1 LYS A 51 5.108 -2.240 17.820 1.00 43.44 H new ATOM 0 HZ2 LYS A 51 5.172 -1.174 16.500 1.00 43.44 H new ATOM 0 HZ3 LYS A 51 4.570 -0.639 17.994 1.00 43.44 H new ATOM 789 N LEU A 52 1.683 1.020 11.715 1.00 14.23 N ATOM 790 CA LEU A 52 1.623 0.193 10.508 1.00 50.20 C ATOM 791 C LEU A 52 1.843 1.045 9.248 1.00 72.43 C ATOM 792 O LEU A 52 1.065 1.965 8.973 1.00 43.14 O ATOM 793 CB LEU A 52 0.255 -0.498 10.420 1.00 0.55 C ATOM 794 CG LEU A 52 0.020 -1.333 9.149 1.00 22.33 C ATOM 795 CD1 LEU A 52 0.941 -2.547 9.116 1.00 4.32 C ATOM 796 CD2 LEU A 52 -1.442 -1.754 9.045 1.00 11.15 C ATOM 0 H LEU A 52 0.832 1.554 11.894 1.00 14.23 H new ATOM 0 HA LEU A 52 2.414 -0.555 10.567 1.00 50.20 H new ATOM 0 HB2 LEU A 52 0.138 -1.147 11.288 1.00 0.55 H new ATOM 0 HB3 LEU A 52 -0.523 0.263 10.484 1.00 0.55 H new ATOM 0 HG LEU A 52 0.257 -0.711 8.285 1.00 22.33 H new ATOM 0 HD11 LEU A 52 0.755 -3.120 8.208 1.00 4.32 H new ATOM 0 HD12 LEU A 52 1.980 -2.216 9.130 1.00 4.32 H new ATOM 0 HD13 LEU A 52 0.748 -3.174 9.987 1.00 4.32 H new ATOM 0 HD21 LEU A 52 -1.587 -2.343 8.140 1.00 11.15 H new ATOM 0 HD22 LEU A 52 -1.711 -2.353 9.915 1.00 11.15 H new ATOM 0 HD23 LEU A 52 -2.074 -0.867 9.006 1.00 11.15 H new ATOM 808 N PRO A 53 2.903 0.767 8.459 1.00 60.00 N ATOM 809 CA PRO A 53 3.133 1.480 7.197 1.00 24.11 C ATOM 810 C PRO A 53 2.038 1.180 6.159 1.00 34.42 C ATOM 811 O PRO A 53 2.107 0.195 5.427 1.00 32.35 O ATOM 812 CB PRO A 53 4.502 0.954 6.720 1.00 54.40 C ATOM 813 CG PRO A 53 5.110 0.292 7.916 1.00 10.32 C ATOM 814 CD PRO A 53 3.958 -0.221 8.737 1.00 63.52 C ATOM 0 HA PRO A 53 3.113 2.562 7.328 1.00 24.11 H new ATOM 0 HB2 PRO A 53 4.387 0.249 5.896 1.00 54.40 H new ATOM 0 HB3 PRO A 53 5.131 1.767 6.358 1.00 54.40 H new ATOM 0 HG2 PRO A 53 5.770 -0.523 7.618 1.00 10.32 H new ATOM 0 HG3 PRO A 53 5.713 0.997 8.488 1.00 10.32 H new ATOM 0 HD2 PRO A 53 3.662 -1.226 8.437 1.00 63.52 H new ATOM 0 HD3 PRO A 53 4.204 -0.265 9.798 1.00 63.52 H new ATOM 822 N TRP A 54 1.038 2.052 6.095 1.00 15.23 N ATOM 823 CA TRP A 54 -0.104 1.873 5.188 1.00 23.33 C ATOM 824 C TRP A 54 0.191 2.430 3.789 1.00 70.31 C ATOM 825 O TRP A 54 -0.281 1.902 2.785 1.00 44.13 O ATOM 826 CB TRP A 54 -1.350 2.556 5.781 1.00 45.40 C ATOM 827 CG TRP A 54 -1.134 4.003 6.140 1.00 11.41 C ATOM 828 CD1 TRP A 54 -0.657 4.492 7.324 1.00 43.30 C ATOM 829 CD2 TRP A 54 -1.398 5.145 5.313 1.00 34.32 C ATOM 830 NE1 TRP A 54 -0.601 5.863 7.278 1.00 1.22 N ATOM 831 CE2 TRP A 54 -1.051 6.288 6.055 1.00 72.31 C ATOM 832 CE3 TRP A 54 -1.889 5.309 4.014 1.00 32.13 C ATOM 833 CZ2 TRP A 54 -1.181 7.578 5.543 1.00 22.33 C ATOM 834 CZ3 TRP A 54 -2.019 6.587 3.508 1.00 43.50 C ATOM 835 CH2 TRP A 54 -1.666 7.708 4.271 1.00 34.13 C ATOM 0 H TRP A 54 0.990 2.898 6.663 1.00 15.23 H new ATOM 0 HA TRP A 54 -0.289 0.804 5.084 1.00 23.33 H new ATOM 0 HB2 TRP A 54 -2.167 2.487 5.063 1.00 45.40 H new ATOM 0 HB3 TRP A 54 -1.662 2.012 6.673 1.00 45.40 H new ATOM 0 HD1 TRP A 54 -0.367 3.888 8.171 1.00 43.30 H new ATOM 0 HE1 TRP A 54 -0.277 6.468 8.032 1.00 1.22 H new ATOM 0 HE3 TRP A 54 -2.162 4.451 3.417 1.00 32.13 H new ATOM 0 HZ2 TRP A 54 -0.909 8.443 6.129 1.00 22.33 H new ATOM 0 HZ3 TRP A 54 -2.399 6.725 2.507 1.00 43.50 H new ATOM 0 HH2 TRP A 54 -1.779 8.694 3.846 1.00 34.13 H new ATOM 846 N PHE A 55 0.995 3.489 3.737 1.00 31.21 N ATOM 847 CA PHE A 55 1.321 4.179 2.481 1.00 3.30 C ATOM 848 C PHE A 55 1.890 3.238 1.399 1.00 24.51 C ATOM 849 O PHE A 55 1.770 3.517 0.205 1.00 11.43 O ATOM 850 CB PHE A 55 2.303 5.329 2.759 1.00 43.53 C ATOM 851 CG PHE A 55 3.516 4.931 3.568 1.00 52.02 C ATOM 852 CD1 PHE A 55 3.495 5.009 4.955 1.00 13.24 C ATOM 853 CD2 PHE A 55 4.677 4.492 2.946 1.00 35.34 C ATOM 854 CE1 PHE A 55 4.604 4.656 5.700 1.00 44.33 C ATOM 855 CE2 PHE A 55 5.786 4.141 3.688 1.00 64.22 C ATOM 856 CZ PHE A 55 5.752 4.222 5.067 1.00 0.12 C ATOM 0 H PHE A 55 1.440 3.896 4.559 1.00 31.21 H new ATOM 0 HA PHE A 55 0.386 4.574 2.083 1.00 3.30 H new ATOM 0 HB2 PHE A 55 2.636 5.745 1.808 1.00 43.53 H new ATOM 0 HB3 PHE A 55 1.774 6.123 3.286 1.00 43.53 H new ATOM 0 HD1 PHE A 55 2.601 5.350 5.457 1.00 13.24 H new ATOM 0 HD2 PHE A 55 4.712 4.424 1.869 1.00 35.34 H new ATOM 0 HE1 PHE A 55 4.573 4.720 6.778 1.00 44.33 H new ATOM 0 HE2 PHE A 55 6.682 3.802 3.190 1.00 64.22 H new ATOM 0 HZ PHE A 55 6.620 3.947 5.648 1.00 0.12 H new ATOM 866 N ARG A 56 2.499 2.127 1.818 1.00 32.44 N ATOM 867 CA ARG A 56 3.110 1.171 0.878 1.00 22.44 C ATOM 868 C ARG A 56 2.061 0.355 0.100 1.00 33.53 C ATOM 869 O ARG A 56 2.355 -0.185 -0.966 1.00 52.30 O ATOM 870 CB ARG A 56 4.031 0.197 1.623 1.00 0.31 C ATOM 871 CG ARG A 56 5.257 0.836 2.268 1.00 74.12 C ATOM 872 CD ARG A 56 6.104 -0.216 2.975 1.00 41.45 C ATOM 873 NE ARG A 56 7.313 0.329 3.588 1.00 20.32 N ATOM 874 CZ ARG A 56 7.904 -0.205 4.623 1.00 51.21 C ATOM 875 NH1 ARG A 56 7.412 -1.261 5.187 1.00 12.33 N ATOM 876 NH2 ARG A 56 8.991 0.313 5.084 1.00 70.22 N ATOM 0 H ARG A 56 2.585 1.863 2.799 1.00 32.44 H new ATOM 0 HA ARG A 56 3.681 1.766 0.165 1.00 22.44 H new ATOM 0 HB2 ARG A 56 3.452 -0.307 2.397 1.00 0.31 H new ATOM 0 HB3 ARG A 56 4.365 -0.570 0.925 1.00 0.31 H new ATOM 0 HG2 ARG A 56 5.854 1.339 1.507 1.00 74.12 H new ATOM 0 HG3 ARG A 56 4.943 1.597 2.982 1.00 74.12 H new ATOM 0 HD2 ARG A 56 5.502 -0.700 3.744 1.00 41.45 H new ATOM 0 HD3 ARG A 56 6.385 -0.987 2.258 1.00 41.45 H new ATOM 0 HE ARG A 56 7.718 1.174 3.185 1.00 20.32 H new ATOM 0 HH11 ARG A 56 6.557 -1.682 4.823 1.00 12.33 H new ATOM 0 HH12 ARG A 56 7.879 -1.672 5.995 1.00 12.33 H new ATOM 0 HH21 ARG A 56 9.390 1.140 4.640 1.00 70.22 H new ATOM 0 HH22 ARG A 56 9.452 -0.105 5.892 1.00 70.22 H new ATOM 890 N VAL A 57 0.851 0.249 0.639 1.00 51.50 N ATOM 891 CA VAL A 57 -0.186 -0.597 0.035 1.00 12.25 C ATOM 892 C VAL A 57 -1.171 0.231 -0.808 1.00 63.31 C ATOM 893 O VAL A 57 -1.966 1.010 -0.279 1.00 40.02 O ATOM 894 CB VAL A 57 -0.967 -1.389 1.114 1.00 61.24 C ATOM 895 CG1 VAL A 57 -1.868 -2.436 0.465 1.00 1.35 C ATOM 896 CG2 VAL A 57 -0.007 -2.037 2.111 1.00 22.13 C ATOM 0 H VAL A 57 0.560 0.733 1.488 1.00 51.50 H new ATOM 0 HA VAL A 57 0.326 -1.302 -0.619 1.00 12.25 H new ATOM 0 HB VAL A 57 -1.599 -0.690 1.661 1.00 61.24 H new ATOM 0 HG11 VAL A 57 -2.408 -2.982 1.239 1.00 1.35 H new ATOM 0 HG12 VAL A 57 -2.581 -1.943 -0.196 1.00 1.35 H new ATOM 0 HG13 VAL A 57 -1.260 -3.132 -0.112 1.00 1.35 H new ATOM 0 HG21 VAL A 57 -0.577 -2.588 2.859 1.00 22.13 H new ATOM 0 HG22 VAL A 57 0.657 -2.722 1.584 1.00 22.13 H new ATOM 0 HG23 VAL A 57 0.584 -1.264 2.602 1.00 22.13 H new ATOM 906 N ILE A 58 -1.109 0.054 -2.127 1.00 33.23 N ATOM 907 CA ILE A 58 -1.977 0.779 -3.062 1.00 50.33 C ATOM 908 C ILE A 58 -2.916 -0.181 -3.817 1.00 30.24 C ATOM 909 O ILE A 58 -3.043 -1.358 -3.467 1.00 41.42 O ATOM 910 CB ILE A 58 -1.138 1.591 -4.088 1.00 24.54 C ATOM 911 CG1 ILE A 58 -0.335 0.647 -5.001 1.00 5.11 C ATOM 912 CG2 ILE A 58 -0.212 2.571 -3.368 1.00 64.00 C ATOM 913 CD1 ILE A 58 0.503 1.364 -6.040 1.00 71.15 C ATOM 0 H ILE A 58 -0.461 -0.591 -2.578 1.00 33.23 H new ATOM 0 HA ILE A 58 -2.580 1.467 -2.469 1.00 50.33 H new ATOM 0 HB ILE A 58 -1.821 2.166 -4.713 1.00 24.54 H new ATOM 0 HG12 ILE A 58 0.318 0.030 -4.384 1.00 5.11 H new ATOM 0 HG13 ILE A 58 -1.026 -0.027 -5.508 1.00 5.11 H new ATOM 0 HG21 ILE A 58 0.367 3.131 -4.102 1.00 64.00 H new ATOM 0 HG22 ILE A 58 -0.807 3.263 -2.772 1.00 64.00 H new ATOM 0 HG23 ILE A 58 0.465 2.019 -2.716 1.00 64.00 H new ATOM 0 HD11 ILE A 58 1.039 0.632 -6.644 1.00 71.15 H new ATOM 0 HD12 ILE A 58 -0.145 1.960 -6.683 1.00 71.15 H new ATOM 0 HD13 ILE A 58 1.219 2.017 -5.542 1.00 71.15 H new ATOM 925 N ASN A 59 -3.590 0.333 -4.843 1.00 4.24 N ATOM 926 CA ASN A 59 -4.511 -0.473 -5.654 1.00 64.33 C ATOM 927 C ASN A 59 -3.753 -1.306 -6.706 1.00 2.12 C ATOM 928 O ASN A 59 -2.574 -1.071 -6.965 1.00 73.30 O ATOM 929 CB ASN A 59 -5.537 0.446 -6.336 1.00 64.33 C ATOM 930 CG ASN A 59 -4.893 1.527 -7.195 1.00 25.23 C ATOM 931 OD1 ASN A 59 -3.870 1.310 -7.837 1.00 4.33 O ATOM 932 ND2 ASN A 59 -5.480 2.705 -7.206 1.00 73.45 N ATOM 0 H ASN A 59 -3.518 1.307 -5.137 1.00 4.24 H new ATOM 0 HA ASN A 59 -5.030 -1.169 -4.995 1.00 64.33 H new ATOM 0 HB2 ASN A 59 -6.199 -0.157 -6.957 1.00 64.33 H new ATOM 0 HB3 ASN A 59 -6.157 0.918 -5.573 1.00 64.33 H new ATOM 0 HD21 ASN A 59 -5.085 3.466 -7.758 1.00 73.45 H new ATOM 0 HD22 ASN A 59 -6.330 2.856 -6.662 1.00 73.45 H new ATOM 939 N SER A 60 -4.436 -2.267 -7.329 1.00 54.33 N ATOM 940 CA SER A 60 -3.813 -3.107 -8.371 1.00 4.34 C ATOM 941 C SER A 60 -3.760 -2.380 -9.726 1.00 62.34 C ATOM 942 O SER A 60 -3.457 -2.980 -10.757 1.00 33.15 O ATOM 943 CB SER A 60 -4.569 -4.435 -8.517 1.00 33.22 C ATOM 944 OG SER A 60 -3.945 -5.289 -9.467 1.00 23.15 O ATOM 0 H SER A 60 -5.413 -2.488 -7.138 1.00 54.33 H new ATOM 0 HA SER A 60 -2.790 -3.312 -8.057 1.00 4.34 H new ATOM 0 HB2 SER A 60 -4.615 -4.937 -7.550 1.00 33.22 H new ATOM 0 HB3 SER A 60 -5.596 -4.238 -8.823 1.00 33.22 H new ATOM 0 HG SER A 60 -3.573 -4.750 -10.196 1.00 23.15 H new ATOM 950 N GLN A 61 -4.049 -1.079 -9.711 1.00 53.25 N ATOM 951 CA GLN A 61 -3.994 -0.249 -10.919 1.00 14.23 C ATOM 952 C GLN A 61 -2.642 0.474 -11.028 1.00 53.14 C ATOM 953 O GLN A 61 -2.284 0.988 -12.088 1.00 45.14 O ATOM 954 CB GLN A 61 -5.139 0.780 -10.902 1.00 0.20 C ATOM 955 CG GLN A 61 -6.533 0.164 -10.756 1.00 30.42 C ATOM 956 CD GLN A 61 -6.997 -0.602 -11.988 1.00 64.43 C ATOM 957 OE1 GLN A 61 -6.201 -1.147 -12.744 1.00 24.43 O ATOM 958 NE2 GLN A 61 -8.299 -0.663 -12.192 1.00 4.53 N ATOM 0 H GLN A 61 -4.326 -0.572 -8.870 1.00 53.25 H new ATOM 0 HA GLN A 61 -4.106 -0.900 -11.786 1.00 14.23 H new ATOM 0 HB2 GLN A 61 -4.974 1.477 -10.080 1.00 0.20 H new ATOM 0 HB3 GLN A 61 -5.105 1.360 -11.824 1.00 0.20 H new ATOM 0 HG2 GLN A 61 -6.535 -0.509 -9.899 1.00 30.42 H new ATOM 0 HG3 GLN A 61 -7.250 0.956 -10.541 1.00 30.42 H new ATOM 0 HE21 GLN A 61 -8.939 -0.200 -11.546 1.00 4.53 H new ATOM 0 HE22 GLN A 61 -8.666 -1.173 -12.995 1.00 4.53 H new ATOM 967 N GLY A 62 -1.897 0.506 -9.922 1.00 23.43 N ATOM 968 CA GLY A 62 -0.604 1.182 -9.902 1.00 11.11 C ATOM 969 C GLY A 62 -0.704 2.664 -9.553 1.00 35.34 C ATOM 970 O GLY A 62 0.025 3.489 -10.103 1.00 71.33 O ATOM 0 H GLY A 62 -2.165 0.075 -9.037 1.00 23.43 H new ATOM 0 HA2 GLY A 62 0.045 0.688 -9.179 1.00 11.11 H new ATOM 0 HA3 GLY A 62 -0.131 1.077 -10.879 1.00 11.11 H new ATOM 974 N LYS A 63 -1.602 3.005 -8.630 1.00 21.55 N ATOM 975 CA LYS A 63 -1.794 4.401 -8.219 1.00 0.33 C ATOM 976 C LYS A 63 -2.161 4.506 -6.730 1.00 24.02 C ATOM 977 O LYS A 63 -2.703 3.566 -6.144 1.00 72.15 O ATOM 978 CB LYS A 63 -2.898 5.059 -9.070 1.00 15.43 C ATOM 979 CG LYS A 63 -3.108 6.541 -8.759 1.00 40.30 C ATOM 980 CD LYS A 63 -4.319 7.124 -9.481 1.00 0.51 C ATOM 981 CE LYS A 63 -4.505 8.606 -9.157 1.00 12.42 C ATOM 982 NZ LYS A 63 -5.754 9.156 -9.744 1.00 71.14 N ATOM 0 H LYS A 63 -2.208 2.338 -8.152 1.00 21.55 H new ATOM 0 HA LYS A 63 -0.850 4.923 -8.375 1.00 0.33 H new ATOM 0 HB2 LYS A 63 -2.646 4.950 -10.125 1.00 15.43 H new ATOM 0 HB3 LYS A 63 -3.835 4.526 -8.909 1.00 15.43 H new ATOM 0 HG2 LYS A 63 -3.234 6.669 -7.684 1.00 40.30 H new ATOM 0 HG3 LYS A 63 -2.216 7.099 -9.044 1.00 40.30 H new ATOM 0 HD2 LYS A 63 -4.198 6.998 -10.557 1.00 0.51 H new ATOM 0 HD3 LYS A 63 -5.215 6.573 -9.195 1.00 0.51 H new ATOM 0 HE2 LYS A 63 -4.524 8.740 -8.075 1.00 12.42 H new ATOM 0 HE3 LYS A 63 -3.650 9.168 -9.533 1.00 12.42 H new ATOM 0 HZ1 LYS A 63 -5.839 10.163 -9.499 1.00 71.14 H new ATOM 0 HZ2 LYS A 63 -5.726 9.053 -10.778 1.00 71.14 H new ATOM 0 HZ3 LYS A 63 -6.573 8.638 -9.366 1.00 71.14 H new ATOM 996 N ILE A 64 -1.854 5.654 -6.125 1.00 11.11 N ATOM 997 CA ILE A 64 -2.253 5.942 -4.744 1.00 54.32 C ATOM 998 C ILE A 64 -3.784 5.856 -4.576 1.00 5.22 C ATOM 999 O ILE A 64 -4.538 6.321 -5.431 1.00 1.24 O ATOM 1000 CB ILE A 64 -1.759 7.348 -4.313 1.00 1.24 C ATOM 1001 CG1 ILE A 64 -0.220 7.399 -4.328 1.00 65.40 C ATOM 1002 CG2 ILE A 64 -2.300 7.720 -2.935 1.00 21.33 C ATOM 1003 CD1 ILE A 64 0.357 8.748 -3.940 1.00 75.14 C ATOM 0 H ILE A 64 -1.327 6.405 -6.572 1.00 11.11 H new ATOM 0 HA ILE A 64 -1.791 5.189 -4.105 1.00 54.32 H new ATOM 0 HB ILE A 64 -2.138 8.079 -5.027 1.00 1.24 H new ATOM 0 HG12 ILE A 64 0.165 6.641 -3.646 1.00 65.40 H new ATOM 0 HG13 ILE A 64 0.132 7.138 -5.326 1.00 65.40 H new ATOM 0 HG21 ILE A 64 -1.938 8.710 -2.657 1.00 21.33 H new ATOM 0 HG22 ILE A 64 -3.390 7.726 -2.961 1.00 21.33 H new ATOM 0 HG23 ILE A 64 -1.959 6.990 -2.201 1.00 21.33 H new ATOM 0 HD11 ILE A 64 1.445 8.702 -3.975 1.00 75.14 H new ATOM 0 HD12 ILE A 64 0.004 9.509 -4.636 1.00 75.14 H new ATOM 0 HD13 ILE A 64 0.037 9.004 -2.930 1.00 75.14 H new ATOM 1015 N SER A 65 -4.236 5.265 -3.471 1.00 43.12 N ATOM 1016 CA SER A 65 -5.673 5.053 -3.234 1.00 73.50 C ATOM 1017 C SER A 65 -6.378 6.324 -2.737 1.00 45.52 C ATOM 1018 O SER A 65 -7.556 6.544 -3.025 1.00 74.34 O ATOM 1019 CB SER A 65 -5.877 3.935 -2.213 1.00 30.12 C ATOM 1020 OG SER A 65 -5.273 4.269 -0.976 1.00 62.14 O ATOM 0 H SER A 65 -3.633 4.923 -2.723 1.00 43.12 H new ATOM 0 HA SER A 65 -6.115 4.777 -4.191 1.00 73.50 H new ATOM 0 HB2 SER A 65 -6.943 3.759 -2.067 1.00 30.12 H new ATOM 0 HB3 SER A 65 -5.450 3.007 -2.593 1.00 30.12 H new ATOM 0 HG SER A 65 -4.978 3.451 -0.525 1.00 62.14 H new ATOM 1026 N LEU A 66 -5.660 7.151 -1.982 1.00 12.35 N ATOM 1027 CA LEU A 66 -6.230 8.392 -1.437 1.00 23.24 C ATOM 1028 C LEU A 66 -6.438 9.463 -2.524 1.00 45.12 C ATOM 1029 O LEU A 66 -5.974 9.322 -3.658 1.00 62.33 O ATOM 1030 CB LEU A 66 -5.329 8.945 -0.325 1.00 61.43 C ATOM 1031 CG LEU A 66 -5.148 8.029 0.898 1.00 73.33 C ATOM 1032 CD1 LEU A 66 -4.278 8.706 1.954 1.00 33.14 C ATOM 1033 CD2 LEU A 66 -6.503 7.634 1.482 1.00 74.04 C ATOM 0 H LEU A 66 -4.685 6.990 -1.731 1.00 12.35 H new ATOM 0 HA LEU A 66 -7.209 8.145 -1.027 1.00 23.24 H new ATOM 0 HB2 LEU A 66 -4.347 9.155 -0.748 1.00 61.43 H new ATOM 0 HB3 LEU A 66 -5.741 9.896 0.013 1.00 61.43 H new ATOM 0 HG LEU A 66 -4.642 7.120 0.573 1.00 73.33 H new ATOM 0 HD11 LEU A 66 -4.162 8.042 2.810 1.00 33.14 H new ATOM 0 HD12 LEU A 66 -3.298 8.927 1.531 1.00 33.14 H new ATOM 0 HD13 LEU A 66 -4.752 9.634 2.276 1.00 33.14 H new ATOM 0 HD21 LEU A 66 -6.352 6.986 2.346 1.00 74.04 H new ATOM 0 HD22 LEU A 66 -7.042 8.530 1.790 1.00 74.04 H new ATOM 0 HD23 LEU A 66 -7.084 7.103 0.728 1.00 74.04 H new ATOM 1045 N LYS A 67 -7.141 10.537 -2.167 1.00 32.14 N ATOM 1046 CA LYS A 67 -7.428 11.627 -3.103 1.00 64.52 C ATOM 1047 C LYS A 67 -7.380 12.987 -2.386 1.00 63.32 C ATOM 1048 O LYS A 67 -7.775 13.098 -1.224 1.00 43.44 O ATOM 1049 CB LYS A 67 -8.804 11.402 -3.745 1.00 32.32 C ATOM 1050 CG LYS A 67 -9.177 12.436 -4.802 1.00 62.22 C ATOM 1051 CD LYS A 67 -10.509 12.106 -5.479 1.00 23.11 C ATOM 1052 CE LYS A 67 -11.677 12.102 -4.493 1.00 54.35 C ATOM 1053 NZ LYS A 67 -11.949 13.455 -3.935 1.00 70.12 N ATOM 0 H LYS A 67 -7.525 10.677 -1.232 1.00 32.14 H new ATOM 0 HA LYS A 67 -6.667 11.634 -3.884 1.00 64.52 H new ATOM 0 HB2 LYS A 67 -8.823 10.411 -4.199 1.00 32.32 H new ATOM 0 HB3 LYS A 67 -9.563 11.408 -2.963 1.00 32.32 H new ATOM 0 HG2 LYS A 67 -9.239 13.421 -4.340 1.00 62.22 H new ATOM 0 HG3 LYS A 67 -8.390 12.486 -5.554 1.00 62.22 H new ATOM 0 HD2 LYS A 67 -10.704 12.834 -6.266 1.00 23.11 H new ATOM 0 HD3 LYS A 67 -10.438 11.130 -5.958 1.00 23.11 H new ATOM 0 HE2 LYS A 67 -12.571 11.731 -4.994 1.00 54.35 H new ATOM 0 HE3 LYS A 67 -11.459 11.412 -3.678 1.00 54.35 H new ATOM 0 HZ1 LYS A 67 -12.800 13.420 -3.338 1.00 70.12 H new ATOM 0 HZ2 LYS A 67 -11.137 13.764 -3.363 1.00 70.12 H new ATOM 0 HZ3 LYS A 67 -12.100 14.128 -4.714 1.00 70.12 H new ATOM 1067 N GLY A 68 -6.888 14.012 -3.079 1.00 12.34 N ATOM 1068 CA GLY A 68 -6.756 15.337 -2.474 1.00 0.34 C ATOM 1069 C GLY A 68 -5.435 15.514 -1.726 1.00 5.41 C ATOM 1070 O GLY A 68 -4.444 14.859 -2.047 1.00 51.52 O ATOM 0 H GLY A 68 -6.577 13.953 -4.049 1.00 12.34 H new ATOM 0 HA2 GLY A 68 -6.833 16.097 -3.252 1.00 0.34 H new ATOM 0 HA3 GLY A 68 -7.584 15.501 -1.785 1.00 0.34 H new ATOM 1074 N ARG A 69 -5.414 16.393 -0.722 1.00 33.40 N ATOM 1075 CA ARG A 69 -4.191 16.642 0.059 1.00 74.32 C ATOM 1076 C ARG A 69 -3.789 15.423 0.902 1.00 14.22 C ATOM 1077 O ARG A 69 -2.619 15.262 1.256 1.00 34.23 O ATOM 1078 CB ARG A 69 -4.357 17.876 0.955 1.00 40.52 C ATOM 1079 CG ARG A 69 -4.383 19.191 0.181 1.00 54.34 C ATOM 1080 CD ARG A 69 -4.463 20.397 1.110 1.00 30.42 C ATOM 1081 NE ARG A 69 -4.342 21.660 0.381 1.00 25.23 N ATOM 1082 CZ ARG A 69 -4.577 22.833 0.904 1.00 22.03 C ATOM 1083 NH1 ARG A 69 -4.942 22.942 2.137 1.00 41.43 N ATOM 1084 NH2 ARG A 69 -4.434 23.899 0.187 1.00 4.13 N ATOM 0 H ARG A 69 -6.221 16.943 -0.429 1.00 33.40 H new ATOM 0 HA ARG A 69 -3.389 16.830 -0.655 1.00 74.32 H new ATOM 0 HB2 ARG A 69 -5.282 17.780 1.524 1.00 40.52 H new ATOM 0 HB3 ARG A 69 -3.540 17.904 1.676 1.00 40.52 H new ATOM 0 HG2 ARG A 69 -3.487 19.267 -0.436 1.00 54.34 H new ATOM 0 HG3 ARG A 69 -5.237 19.197 -0.496 1.00 54.34 H new ATOM 0 HD2 ARG A 69 -5.411 20.378 1.648 1.00 30.42 H new ATOM 0 HD3 ARG A 69 -3.672 20.332 1.857 1.00 30.42 H new ATOM 0 HE ARG A 69 -4.056 21.622 -0.597 1.00 25.23 H new ATOM 0 HH11 ARG A 69 -5.049 22.107 2.713 1.00 41.43 H new ATOM 0 HH12 ARG A 69 -5.123 23.863 2.536 1.00 41.43 H new ATOM 0 HH21 ARG A 69 -4.138 23.823 -0.786 1.00 4.13 H new ATOM 0 HH22 ARG A 69 -4.617 24.816 0.594 1.00 4.13 H new ATOM 1098 N ASP A 70 -4.751 14.563 1.225 1.00 52.10 N ATOM 1099 CA ASP A 70 -4.450 13.317 1.934 1.00 32.15 C ATOM 1100 C ASP A 70 -3.602 12.382 1.057 1.00 23.33 C ATOM 1101 O ASP A 70 -2.839 11.556 1.562 1.00 64.51 O ATOM 1102 CB ASP A 70 -5.744 12.634 2.384 1.00 31.11 C ATOM 1103 CG ASP A 70 -6.472 13.451 3.438 1.00 21.13 C ATOM 1104 OD1 ASP A 70 -6.118 13.342 4.633 1.00 72.12 O ATOM 1105 OD2 ASP A 70 -7.379 14.226 3.080 1.00 71.41 O ATOM 0 H ASP A 70 -5.739 14.701 1.011 1.00 52.10 H new ATOM 0 HA ASP A 70 -3.867 13.555 2.823 1.00 32.15 H new ATOM 0 HB2 ASP A 70 -6.396 12.486 1.523 1.00 31.11 H new ATOM 0 HB3 ASP A 70 -5.514 11.646 2.783 1.00 31.11 H new ATOM 1110 N LEU A 71 -3.734 12.535 -0.262 1.00 71.24 N ATOM 1111 CA LEU A 71 -2.876 11.827 -1.218 1.00 11.30 C ATOM 1112 C LEU A 71 -1.430 12.326 -1.086 1.00 33.21 C ATOM 1113 O LEU A 71 -0.485 11.536 -1.125 1.00 45.30 O ATOM 1114 CB LEU A 71 -3.409 12.029 -2.654 1.00 14.04 C ATOM 1115 CG LEU A 71 -2.663 11.282 -3.787 1.00 20.10 C ATOM 1116 CD1 LEU A 71 -3.585 11.066 -4.985 1.00 33.30 C ATOM 1117 CD2 LEU A 71 -1.412 12.046 -4.228 1.00 1.23 C ATOM 0 H LEU A 71 -4.428 13.144 -0.695 1.00 71.24 H new ATOM 0 HA LEU A 71 -2.889 10.759 -1.000 1.00 11.30 H new ATOM 0 HB2 LEU A 71 -4.454 11.721 -2.675 1.00 14.04 H new ATOM 0 HB3 LEU A 71 -3.386 13.096 -2.878 1.00 14.04 H new ATOM 0 HG LEU A 71 -2.354 10.314 -3.394 1.00 20.10 H new ATOM 0 HD11 LEU A 71 -3.043 10.540 -5.771 1.00 33.30 H new ATOM 0 HD12 LEU A 71 -4.447 10.473 -4.679 1.00 33.30 H new ATOM 0 HD13 LEU A 71 -3.924 12.031 -5.362 1.00 33.30 H new ATOM 0 HD21 LEU A 71 -0.911 11.495 -5.024 1.00 1.23 H new ATOM 0 HD22 LEU A 71 -1.698 13.032 -4.593 1.00 1.23 H new ATOM 0 HD23 LEU A 71 -0.735 12.155 -3.381 1.00 1.23 H new ATOM 1129 N ASP A 72 -1.273 13.642 -0.922 1.00 41.11 N ATOM 1130 CA ASP A 72 0.041 14.253 -0.696 1.00 2.23 C ATOM 1131 C ASP A 72 0.748 13.619 0.512 1.00 52.35 C ATOM 1132 O ASP A 72 1.937 13.312 0.452 1.00 22.52 O ATOM 1133 CB ASP A 72 -0.103 15.766 -0.485 1.00 14.04 C ATOM 1134 CG ASP A 72 -0.646 16.480 -1.712 1.00 21.45 C ATOM 1135 OD1 ASP A 72 -1.727 16.098 -2.201 1.00 24.23 O ATOM 1136 OD2 ASP A 72 0.001 17.439 -2.186 1.00 45.22 O ATOM 0 H ASP A 72 -2.044 14.309 -0.942 1.00 41.11 H new ATOM 0 HA ASP A 72 0.650 14.073 -1.581 1.00 2.23 H new ATOM 0 HB2 ASP A 72 -0.766 15.949 0.360 1.00 14.04 H new ATOM 0 HB3 ASP A 72 0.868 16.187 -0.225 1.00 14.04 H new ATOM 1141 N ARG A 73 0.006 13.420 1.609 1.00 40.14 N ATOM 1142 CA ARG A 73 0.556 12.753 2.800 1.00 60.04 C ATOM 1143 C ARG A 73 1.193 11.400 2.440 1.00 40.40 C ATOM 1144 O ARG A 73 2.365 11.151 2.748 1.00 12.44 O ATOM 1145 CB ARG A 73 -0.523 12.555 3.888 1.00 61.35 C ATOM 1146 CG ARG A 73 -0.527 13.641 4.964 1.00 75.33 C ATOM 1147 CD ARG A 73 -1.168 14.942 4.490 1.00 21.30 C ATOM 1148 NE ARG A 73 -2.627 14.874 4.526 1.00 43.03 N ATOM 1149 CZ ARG A 73 -3.413 15.901 4.360 1.00 30.10 C ATOM 1150 NH1 ARG A 73 -2.933 17.068 4.069 1.00 53.31 N ATOM 1151 NH2 ARG A 73 -4.692 15.762 4.469 1.00 52.43 N ATOM 0 H ARG A 73 -0.968 13.708 1.698 1.00 40.14 H new ATOM 0 HA ARG A 73 1.331 13.407 3.200 1.00 60.04 H new ATOM 0 HB2 ARG A 73 -1.503 12.526 3.412 1.00 61.35 H new ATOM 0 HB3 ARG A 73 -0.371 11.586 4.364 1.00 61.35 H new ATOM 0 HG2 ARG A 73 -1.063 13.276 5.840 1.00 75.33 H new ATOM 0 HG3 ARG A 73 0.498 13.839 5.277 1.00 75.33 H new ATOM 0 HD2 ARG A 73 -0.827 15.765 5.118 1.00 21.30 H new ATOM 0 HD3 ARG A 73 -0.839 15.160 3.474 1.00 21.30 H new ATOM 0 HE ARG A 73 -3.058 13.965 4.692 1.00 43.03 H new ATOM 0 HH11 ARG A 73 -1.926 17.194 3.966 1.00 53.31 H new ATOM 0 HH12 ARG A 73 -3.562 17.861 3.942 1.00 53.31 H new ATOM 0 HH21 ARG A 73 -5.089 14.848 4.685 1.00 52.43 H new ATOM 0 HH22 ARG A 73 -5.305 16.567 4.339 1.00 52.43 H new ATOM 1165 N GLN A 74 0.422 10.536 1.776 1.00 3.22 N ATOM 1166 CA GLN A 74 0.920 9.217 1.368 1.00 44.50 C ATOM 1167 C GLN A 74 2.117 9.355 0.413 1.00 64.21 C ATOM 1168 O GLN A 74 3.133 8.676 0.574 1.00 51.53 O ATOM 1169 CB GLN A 74 -0.197 8.399 0.696 1.00 13.10 C ATOM 1170 CG GLN A 74 0.178 6.937 0.469 1.00 60.43 C ATOM 1171 CD GLN A 74 -0.927 6.117 -0.178 1.00 31.43 C ATOM 1172 OE1 GLN A 74 -2.108 6.417 -0.041 1.00 62.44 O ATOM 1173 NE2 GLN A 74 -0.551 5.054 -0.865 1.00 72.20 N ATOM 0 H GLN A 74 -0.545 10.723 1.510 1.00 3.22 H new ATOM 0 HA GLN A 74 1.249 8.692 2.264 1.00 44.50 H new ATOM 0 HB2 GLN A 74 -1.094 8.445 1.314 1.00 13.10 H new ATOM 0 HB3 GLN A 74 -0.446 8.856 -0.262 1.00 13.10 H new ATOM 0 HG2 GLN A 74 1.067 6.892 -0.160 1.00 60.43 H new ATOM 0 HG3 GLN A 74 0.441 6.486 1.426 1.00 60.43 H new ATOM 0 HE21 GLN A 74 0.440 4.832 -0.960 1.00 72.20 H new ATOM 0 HE22 GLN A 74 -1.252 4.454 -1.301 1.00 72.20 H new ATOM 1182 N LYS A 75 1.988 10.254 -0.562 1.00 70.51 N ATOM 1183 CA LYS A 75 3.045 10.515 -1.545 1.00 41.33 C ATOM 1184 C LYS A 75 4.389 10.842 -0.873 1.00 30.14 C ATOM 1185 O LYS A 75 5.407 10.205 -1.155 1.00 4.53 O ATOM 1186 CB LYS A 75 2.621 11.670 -2.467 1.00 75.55 C ATOM 1187 CG LYS A 75 3.731 12.183 -3.381 1.00 14.23 C ATOM 1188 CD LYS A 75 3.236 13.302 -4.296 1.00 71.53 C ATOM 1189 CE LYS A 75 4.380 13.953 -5.064 1.00 75.20 C ATOM 1190 NZ LYS A 75 5.334 14.646 -4.157 1.00 35.02 N ATOM 0 H LYS A 75 1.151 10.822 -0.695 1.00 70.51 H new ATOM 0 HA LYS A 75 3.186 9.607 -2.131 1.00 41.33 H new ATOM 0 HB2 LYS A 75 1.783 11.340 -3.082 1.00 75.55 H new ATOM 0 HB3 LYS A 75 2.261 12.496 -1.854 1.00 75.55 H new ATOM 0 HG2 LYS A 75 4.561 12.548 -2.776 1.00 14.23 H new ATOM 0 HG3 LYS A 75 4.114 11.361 -3.986 1.00 14.23 H new ATOM 0 HD2 LYS A 75 2.508 12.900 -5.000 1.00 71.53 H new ATOM 0 HD3 LYS A 75 2.721 14.057 -3.701 1.00 71.53 H new ATOM 0 HE2 LYS A 75 4.911 13.193 -5.637 1.00 75.20 H new ATOM 0 HE3 LYS A 75 3.976 14.668 -5.780 1.00 75.20 H new ATOM 0 HZ1 LYS A 75 5.595 15.566 -4.565 1.00 35.02 H new ATOM 0 HZ2 LYS A 75 4.887 14.793 -3.230 1.00 35.02 H new ATOM 0 HZ3 LYS A 75 6.188 14.064 -4.041 1.00 35.02 H new ATOM 1204 N GLN A 76 4.385 11.828 0.024 1.00 3.12 N ATOM 1205 CA GLN A 76 5.613 12.251 0.709 1.00 64.12 C ATOM 1206 C GLN A 76 6.222 11.101 1.533 1.00 11.13 C ATOM 1207 O GLN A 76 7.444 11.006 1.676 1.00 4.32 O ATOM 1208 CB GLN A 76 5.343 13.466 1.614 1.00 21.04 C ATOM 1209 CG GLN A 76 4.670 14.642 0.906 1.00 53.34 C ATOM 1210 CD GLN A 76 5.376 15.068 -0.374 1.00 1.41 C ATOM 1211 OE1 GLN A 76 5.062 14.595 -1.460 1.00 13.23 O ATOM 1212 NE2 GLN A 76 6.329 15.969 -0.258 1.00 74.54 N ATOM 0 H GLN A 76 3.551 12.349 0.295 1.00 3.12 H new ATOM 0 HA GLN A 76 6.333 12.537 -0.058 1.00 64.12 H new ATOM 0 HB2 GLN A 76 4.715 13.151 2.447 1.00 21.04 H new ATOM 0 HB3 GLN A 76 6.288 13.805 2.038 1.00 21.04 H new ATOM 0 HG2 GLN A 76 3.640 14.373 0.671 1.00 53.34 H new ATOM 0 HG3 GLN A 76 4.629 15.491 1.588 1.00 53.34 H new ATOM 0 HE21 GLN A 76 6.567 16.344 0.660 1.00 74.54 H new ATOM 0 HE22 GLN A 76 6.829 16.292 -1.086 1.00 74.54 H new ATOM 1221 N LYS A 77 5.368 10.227 2.072 1.00 14.22 N ATOM 1222 CA LYS A 77 5.842 9.043 2.804 1.00 53.15 C ATOM 1223 C LYS A 77 6.516 8.047 1.849 1.00 35.43 C ATOM 1224 O LYS A 77 7.535 7.441 2.181 1.00 33.42 O ATOM 1225 CB LYS A 77 4.684 8.355 3.546 1.00 74.14 C ATOM 1226 CG LYS A 77 3.974 9.218 4.595 1.00 63.50 C ATOM 1227 CD LYS A 77 4.877 9.596 5.780 1.00 40.42 C ATOM 1228 CE LYS A 77 5.732 10.831 5.499 1.00 55.24 C ATOM 1229 NZ LYS A 77 4.910 12.008 5.107 1.00 22.51 N ATOM 0 H LYS A 77 4.353 10.313 2.018 1.00 14.22 H new ATOM 0 HA LYS A 77 6.575 9.378 3.538 1.00 53.15 H new ATOM 0 HB2 LYS A 77 3.948 8.026 2.812 1.00 74.14 H new ATOM 0 HB3 LYS A 77 5.068 7.460 4.035 1.00 74.14 H new ATOM 0 HG2 LYS A 77 3.609 10.129 4.120 1.00 63.50 H new ATOM 0 HG3 LYS A 77 3.102 8.681 4.968 1.00 63.50 H new ATOM 0 HD2 LYS A 77 4.259 9.779 6.659 1.00 40.42 H new ATOM 0 HD3 LYS A 77 5.528 8.755 6.018 1.00 40.42 H new ATOM 0 HE2 LYS A 77 6.315 11.077 6.387 1.00 55.24 H new ATOM 0 HE3 LYS A 77 6.442 10.605 4.704 1.00 55.24 H new ATOM 0 HZ1 LYS A 77 5.151 12.292 4.136 1.00 22.51 H new ATOM 0 HZ2 LYS A 77 3.902 11.758 5.154 1.00 22.51 H new ATOM 0 HZ3 LYS A 77 5.102 12.797 5.757 1.00 22.51 H new ATOM 1243 N LEU A 78 5.941 7.890 0.662 1.00 12.14 N ATOM 1244 CA LEU A 78 6.521 7.036 -0.378 1.00 30.21 C ATOM 1245 C LEU A 78 7.900 7.556 -0.814 1.00 42.43 C ATOM 1246 O LEU A 78 8.846 6.785 -0.981 1.00 65.33 O ATOM 1247 CB LEU A 78 5.573 6.968 -1.580 1.00 74.42 C ATOM 1248 CG LEU A 78 4.203 6.335 -1.291 1.00 71.13 C ATOM 1249 CD1 LEU A 78 3.244 6.558 -2.456 1.00 55.41 C ATOM 1250 CD2 LEU A 78 4.354 4.844 -0.991 1.00 13.31 C ATOM 0 H LEU A 78 5.069 8.344 0.391 1.00 12.14 H new ATOM 0 HA LEU A 78 6.655 6.035 0.031 1.00 30.21 H new ATOM 0 HB2 LEU A 78 5.417 7.978 -1.958 1.00 74.42 H new ATOM 0 HB3 LEU A 78 6.058 6.401 -2.375 1.00 74.42 H new ATOM 0 HG LEU A 78 3.782 6.821 -0.411 1.00 71.13 H new ATOM 0 HD11 LEU A 78 2.281 6.101 -2.227 1.00 55.41 H new ATOM 0 HD12 LEU A 78 3.109 7.628 -2.616 1.00 55.41 H new ATOM 0 HD13 LEU A 78 3.656 6.105 -3.358 1.00 55.41 H new ATOM 0 HD21 LEU A 78 3.374 4.412 -0.789 1.00 13.31 H new ATOM 0 HD22 LEU A 78 4.801 4.343 -1.850 1.00 13.31 H new ATOM 0 HD23 LEU A 78 4.996 4.711 -0.120 1.00 13.31 H new ATOM 1262 N GLU A 79 8.010 8.873 -0.988 1.00 43.40 N ATOM 1263 CA GLU A 79 9.294 9.497 -1.331 1.00 71.24 C ATOM 1264 C GLU A 79 10.313 9.347 -0.189 1.00 0.25 C ATOM 1265 O GLU A 79 11.520 9.258 -0.429 1.00 12.42 O ATOM 1266 CB GLU A 79 9.098 10.976 -1.694 1.00 0.12 C ATOM 1267 CG GLU A 79 8.224 11.187 -2.927 1.00 50.34 C ATOM 1268 CD GLU A 79 8.168 12.640 -3.375 1.00 73.42 C ATOM 1269 OE1 GLU A 79 7.314 13.392 -2.869 1.00 71.43 O ATOM 1270 OE2 GLU A 79 8.983 13.039 -4.236 1.00 41.30 O ATOM 0 H GLU A 79 7.233 9.527 -0.898 1.00 43.40 H new ATOM 0 HA GLU A 79 9.694 8.978 -2.202 1.00 71.24 H new ATOM 0 HB2 GLU A 79 8.649 11.494 -0.847 1.00 0.12 H new ATOM 0 HB3 GLU A 79 10.073 11.432 -1.866 1.00 0.12 H new ATOM 0 HG2 GLU A 79 8.605 10.575 -3.745 1.00 50.34 H new ATOM 0 HG3 GLU A 79 7.213 10.839 -2.713 1.00 50.34 H new ATOM 1277 N ALA A 80 9.823 9.300 1.052 1.00 4.14 N ATOM 1278 CA ALA A 80 10.676 9.006 2.214 1.00 4.42 C ATOM 1279 C ALA A 80 11.233 7.571 2.136 1.00 11.15 C ATOM 1280 O ALA A 80 12.264 7.250 2.731 1.00 34.33 O ATOM 1281 CB ALA A 80 9.893 9.208 3.508 1.00 35.01 C ATOM 0 H ALA A 80 8.842 9.461 1.282 1.00 4.14 H new ATOM 0 HA ALA A 80 11.519 9.696 2.205 1.00 4.42 H new ATOM 0 HB1 ALA A 80 10.536 8.987 4.360 1.00 35.01 H new ATOM 0 HB2 ALA A 80 9.552 10.241 3.569 1.00 35.01 H new ATOM 0 HB3 ALA A 80 9.032 8.540 3.520 1.00 35.01 H new ATOM 1287 N GLU A 81 10.531 6.713 1.397 1.00 64.31 N ATOM 1288 CA GLU A 81 10.994 5.348 1.114 1.00 23.21 C ATOM 1289 C GLU A 81 11.833 5.293 -0.173 1.00 34.55 C ATOM 1290 O GLU A 81 12.306 4.229 -0.569 1.00 32.35 O ATOM 1291 CB GLU A 81 9.791 4.402 0.992 1.00 51.41 C ATOM 1292 CG GLU A 81 9.114 4.088 2.318 1.00 13.00 C ATOM 1293 CD GLU A 81 9.938 3.145 3.182 1.00 11.00 C ATOM 1294 OE1 GLU A 81 9.762 1.918 3.052 1.00 14.22 O ATOM 1295 OE2 GLU A 81 10.769 3.623 3.982 1.00 43.24 O ATOM 0 H GLU A 81 9.629 6.939 0.978 1.00 64.31 H new ATOM 0 HA GLU A 81 11.627 5.031 1.943 1.00 23.21 H new ATOM 0 HB2 GLU A 81 9.059 4.847 0.318 1.00 51.41 H new ATOM 0 HB3 GLU A 81 10.120 3.469 0.534 1.00 51.41 H new ATOM 0 HG2 GLU A 81 8.940 5.016 2.862 1.00 13.00 H new ATOM 0 HG3 GLU A 81 8.138 3.642 2.128 1.00 13.00 H new ATOM 1302 N GLY A 82 12.023 6.445 -0.813 1.00 64.12 N ATOM 1303 CA GLY A 82 12.767 6.498 -2.068 1.00 44.00 C ATOM 1304 C GLY A 82 11.958 6.002 -3.267 1.00 12.44 C ATOM 1305 O GLY A 82 12.516 5.734 -4.338 1.00 3.11 O ATOM 0 H GLY A 82 11.675 7.347 -0.486 1.00 64.12 H new ATOM 0 HA2 GLY A 82 13.085 7.524 -2.252 1.00 44.00 H new ATOM 0 HA3 GLY A 82 13.671 5.896 -1.973 1.00 44.00 H new ATOM 1309 N ILE A 83 10.642 5.892 -3.093 1.00 70.02 N ATOM 1310 CA ILE A 83 9.749 5.417 -4.153 1.00 23.44 C ATOM 1311 C ILE A 83 9.428 6.529 -5.162 1.00 72.02 C ATOM 1312 O ILE A 83 8.954 7.607 -4.796 1.00 13.43 O ATOM 1313 CB ILE A 83 8.428 4.856 -3.564 1.00 3.53 C ATOM 1314 CG1 ILE A 83 8.732 3.699 -2.598 1.00 53.02 C ATOM 1315 CG2 ILE A 83 7.480 4.405 -4.680 1.00 20.22 C ATOM 1316 CD1 ILE A 83 7.503 3.094 -1.954 1.00 24.33 C ATOM 0 H ILE A 83 10.166 6.127 -2.222 1.00 70.02 H new ATOM 0 HA ILE A 83 10.275 4.616 -4.673 1.00 23.44 H new ATOM 0 HB ILE A 83 7.929 5.650 -3.008 1.00 3.53 H new ATOM 0 HG12 ILE A 83 9.267 2.919 -3.139 1.00 53.02 H new ATOM 0 HG13 ILE A 83 9.400 4.059 -1.815 1.00 53.02 H new ATOM 0 HG21 ILE A 83 6.561 4.016 -4.242 1.00 20.22 H new ATOM 0 HG22 ILE A 83 7.244 5.254 -5.322 1.00 20.22 H new ATOM 0 HG23 ILE A 83 7.959 3.624 -5.271 1.00 20.22 H new ATOM 0 HD11 ILE A 83 7.802 2.285 -1.287 1.00 24.33 H new ATOM 0 HD12 ILE A 83 6.977 3.859 -1.383 1.00 24.33 H new ATOM 0 HD13 ILE A 83 6.843 2.701 -2.727 1.00 24.33 H new ATOM 1328 N GLU A 84 9.708 6.258 -6.429 1.00 21.23 N ATOM 1329 CA GLU A 84 9.412 7.187 -7.520 1.00 23.24 C ATOM 1330 C GLU A 84 7.897 7.345 -7.725 1.00 62.33 C ATOM 1331 O GLU A 84 7.263 6.566 -8.442 1.00 63.13 O ATOM 1332 CB GLU A 84 10.086 6.682 -8.805 1.00 64.41 C ATOM 1333 CG GLU A 84 9.735 7.458 -10.067 1.00 1.23 C ATOM 1334 CD GLU A 84 10.471 6.925 -11.287 1.00 21.42 C ATOM 1335 OE1 GLU A 84 10.268 5.742 -11.645 1.00 11.21 O ATOM 1336 OE2 GLU A 84 11.258 7.680 -11.893 1.00 3.24 O ATOM 0 H GLU A 84 10.147 5.389 -6.734 1.00 21.23 H new ATOM 0 HA GLU A 84 9.806 8.171 -7.264 1.00 23.24 H new ATOM 0 HB2 GLU A 84 11.167 6.714 -8.666 1.00 64.41 H new ATOM 0 HB3 GLU A 84 9.814 5.637 -8.953 1.00 64.41 H new ATOM 0 HG2 GLU A 84 8.660 7.403 -10.239 1.00 1.23 H new ATOM 0 HG3 GLU A 84 9.982 8.510 -9.926 1.00 1.23 H new ATOM 1343 N VAL A 85 7.316 8.341 -7.063 1.00 34.13 N ATOM 1344 CA VAL A 85 5.892 8.639 -7.215 1.00 52.51 C ATOM 1345 C VAL A 85 5.649 9.463 -8.486 1.00 3.55 C ATOM 1346 O VAL A 85 5.969 10.653 -8.539 1.00 61.24 O ATOM 1347 CB VAL A 85 5.327 9.407 -5.992 1.00 15.43 C ATOM 1348 CG1 VAL A 85 3.816 9.606 -6.127 1.00 42.41 C ATOM 1349 CG2 VAL A 85 5.665 8.678 -4.695 1.00 34.11 C ATOM 0 H VAL A 85 7.808 8.957 -6.415 1.00 34.13 H new ATOM 0 HA VAL A 85 5.372 7.684 -7.289 1.00 52.51 H new ATOM 0 HB VAL A 85 5.796 10.391 -5.961 1.00 15.43 H new ATOM 0 HG11 VAL A 85 3.441 10.147 -5.258 1.00 42.41 H new ATOM 0 HG12 VAL A 85 3.604 10.178 -7.030 1.00 42.41 H new ATOM 0 HG13 VAL A 85 3.325 8.635 -6.189 1.00 42.41 H new ATOM 0 HG21 VAL A 85 5.260 9.233 -3.849 1.00 34.11 H new ATOM 0 HG22 VAL A 85 5.230 7.679 -4.715 1.00 34.11 H new ATOM 0 HG23 VAL A 85 6.747 8.600 -4.593 1.00 34.11 H new ATOM 1359 N SER A 86 5.099 8.821 -9.513 1.00 12.00 N ATOM 1360 CA SER A 86 4.823 9.494 -10.789 1.00 22.22 C ATOM 1361 C SER A 86 3.857 10.674 -10.596 1.00 3.42 C ATOM 1362 O SER A 86 2.933 10.599 -9.787 1.00 62.14 O ATOM 1363 CB SER A 86 4.256 8.502 -11.816 1.00 33.54 C ATOM 1364 OG SER A 86 5.167 7.435 -12.060 1.00 54.33 O ATOM 0 H SER A 86 4.834 7.836 -9.491 1.00 12.00 H new ATOM 0 HA SER A 86 5.767 9.886 -11.169 1.00 22.22 H new ATOM 0 HB2 SER A 86 3.310 8.100 -11.453 1.00 33.54 H new ATOM 0 HB3 SER A 86 4.044 9.023 -12.750 1.00 33.54 H new ATOM 0 HG SER A 86 4.780 6.818 -12.716 1.00 54.33 H new ATOM 1370 N GLU A 87 4.079 11.738 -11.372 1.00 40.00 N ATOM 1371 CA GLU A 87 3.388 13.036 -11.218 1.00 42.54 C ATOM 1372 C GLU A 87 1.912 12.929 -10.781 1.00 64.42 C ATOM 1373 O GLU A 87 1.488 13.603 -9.837 1.00 22.51 O ATOM 1374 CB GLU A 87 3.475 13.805 -12.542 1.00 12.21 C ATOM 1375 CG GLU A 87 2.879 15.207 -12.495 1.00 44.40 C ATOM 1376 CD GLU A 87 3.055 15.948 -13.809 1.00 1.32 C ATOM 1377 OE1 GLU A 87 4.163 16.465 -14.057 1.00 54.35 O ATOM 1378 OE2 GLU A 87 2.095 16.004 -14.605 1.00 1.32 O ATOM 0 H GLU A 87 4.752 11.729 -12.138 1.00 40.00 H new ATOM 0 HA GLU A 87 3.898 13.562 -10.411 1.00 42.54 H new ATOM 0 HB2 GLU A 87 4.522 13.878 -12.838 1.00 12.21 H new ATOM 0 HB3 GLU A 87 2.964 13.232 -13.316 1.00 12.21 H new ATOM 0 HG2 GLU A 87 1.818 15.141 -12.256 1.00 44.40 H new ATOM 0 HG3 GLU A 87 3.352 15.775 -11.693 1.00 44.40 H new ATOM 1385 N ILE A 88 1.131 12.096 -11.465 1.00 43.20 N ATOM 1386 CA ILE A 88 -0.309 11.969 -11.175 1.00 53.11 C ATOM 1387 C ILE A 88 -0.610 10.946 -10.056 1.00 25.43 C ATOM 1388 O ILE A 88 -1.709 10.389 -9.987 1.00 14.30 O ATOM 1389 CB ILE A 88 -1.105 11.593 -12.453 1.00 44.34 C ATOM 1390 CG1 ILE A 88 -0.593 10.268 -13.044 1.00 1.14 C ATOM 1391 CG2 ILE A 88 -1.016 12.719 -13.485 1.00 54.21 C ATOM 1392 CD1 ILE A 88 -1.327 9.834 -14.295 1.00 12.14 C ATOM 0 H ILE A 88 1.462 11.498 -12.222 1.00 43.20 H new ATOM 0 HA ILE A 88 -0.631 12.948 -10.820 1.00 53.11 H new ATOM 0 HB ILE A 88 -2.152 11.457 -12.181 1.00 44.34 H new ATOM 0 HG12 ILE A 88 0.468 10.369 -13.273 1.00 1.14 H new ATOM 0 HG13 ILE A 88 -0.684 9.486 -12.291 1.00 1.14 H new ATOM 0 HG21 ILE A 88 -1.579 12.441 -14.376 1.00 54.21 H new ATOM 0 HG22 ILE A 88 -1.433 13.633 -13.063 1.00 54.21 H new ATOM 0 HG23 ILE A 88 0.027 12.886 -13.752 1.00 54.21 H new ATOM 0 HD11 ILE A 88 -0.910 8.893 -14.653 1.00 12.14 H new ATOM 0 HD12 ILE A 88 -2.385 9.700 -14.068 1.00 12.14 H new ATOM 0 HD13 ILE A 88 -1.215 10.597 -15.066 1.00 12.14 H new ATOM 1404 N GLY A 89 0.359 10.730 -9.171 1.00 34.21 N ATOM 1405 CA GLY A 89 0.165 9.834 -8.034 1.00 74.23 C ATOM 1406 C GLY A 89 0.260 8.353 -8.393 1.00 2.23 C ATOM 1407 O GLY A 89 -0.348 7.508 -7.732 1.00 12.21 O ATOM 0 H GLY A 89 1.282 11.161 -9.218 1.00 34.21 H new ATOM 0 HA2 GLY A 89 0.911 10.062 -7.272 1.00 74.23 H new ATOM 0 HA3 GLY A 89 -0.812 10.029 -7.592 1.00 74.23 H new ATOM 1411 N LYS A 90 1.030 8.029 -9.431 1.00 42.14 N ATOM 1412 CA LYS A 90 1.183 6.632 -9.872 1.00 13.34 C ATOM 1413 C LYS A 90 2.474 5.995 -9.341 1.00 74.35 C ATOM 1414 O LYS A 90 3.481 6.670 -9.128 1.00 55.41 O ATOM 1415 CB LYS A 90 1.166 6.524 -11.406 1.00 30.31 C ATOM 1416 CG LYS A 90 -0.227 6.599 -12.027 1.00 21.43 C ATOM 1417 CD LYS A 90 -0.184 6.289 -13.525 1.00 64.25 C ATOM 1418 CE LYS A 90 -1.577 6.224 -14.142 1.00 43.34 C ATOM 1419 NZ LYS A 90 -1.524 5.924 -15.600 1.00 12.34 N ATOM 0 H LYS A 90 1.557 8.706 -9.983 1.00 42.14 H new ATOM 0 HA LYS A 90 0.332 6.090 -9.460 1.00 13.34 H new ATOM 0 HB2 LYS A 90 1.779 7.323 -11.821 1.00 30.31 H new ATOM 0 HB3 LYS A 90 1.630 5.582 -11.697 1.00 30.31 H new ATOM 0 HG2 LYS A 90 -0.890 5.893 -11.526 1.00 21.43 H new ATOM 0 HG3 LYS A 90 -0.644 7.594 -11.871 1.00 21.43 H new ATOM 0 HD2 LYS A 90 0.402 7.053 -14.035 1.00 64.25 H new ATOM 0 HD3 LYS A 90 0.326 5.339 -13.683 1.00 64.25 H new ATOM 0 HE2 LYS A 90 -2.164 5.458 -13.635 1.00 43.34 H new ATOM 0 HE3 LYS A 90 -2.089 7.174 -13.985 1.00 43.34 H new ATOM 0 HZ1 LYS A 90 -2.490 5.888 -15.982 1.00 12.34 H new ATOM 0 HZ2 LYS A 90 -0.986 6.668 -16.088 1.00 12.34 H new ATOM 0 HZ3 LYS A 90 -1.059 5.006 -15.749 1.00 12.34 H new ATOM 1433 N ILE A 91 2.430 4.680 -9.143 1.00 1.31 N ATOM 1434 CA ILE A 91 3.603 3.906 -8.730 1.00 73.35 C ATOM 1435 C ILE A 91 3.825 2.729 -9.688 1.00 41.15 C ATOM 1436 O ILE A 91 2.997 1.820 -9.771 1.00 4.24 O ATOM 1437 CB ILE A 91 3.446 3.360 -7.286 1.00 34.13 C ATOM 1438 CG1 ILE A 91 3.178 4.507 -6.295 1.00 12.12 C ATOM 1439 CG2 ILE A 91 4.691 2.568 -6.869 1.00 60.00 C ATOM 1440 CD1 ILE A 91 2.945 4.041 -4.874 1.00 65.24 C ATOM 0 H ILE A 91 1.585 4.121 -9.263 1.00 1.31 H new ATOM 0 HA ILE A 91 4.462 4.576 -8.757 1.00 73.35 H new ATOM 0 HB ILE A 91 2.589 2.687 -7.269 1.00 34.13 H new ATOM 0 HG12 ILE A 91 4.025 5.193 -6.309 1.00 12.12 H new ATOM 0 HG13 ILE A 91 2.307 5.070 -6.631 1.00 12.12 H new ATOM 0 HG21 ILE A 91 4.561 2.194 -5.854 1.00 60.00 H new ATOM 0 HG22 ILE A 91 4.833 1.729 -7.550 1.00 60.00 H new ATOM 0 HG23 ILE A 91 5.565 3.218 -6.907 1.00 60.00 H new ATOM 0 HD11 ILE A 91 2.763 4.904 -4.233 1.00 65.24 H new ATOM 0 HD12 ILE A 91 2.080 3.379 -4.845 1.00 65.24 H new ATOM 0 HD13 ILE A 91 3.824 3.504 -4.518 1.00 65.24 H new ATOM 1452 N ALA A 92 4.936 2.754 -10.422 1.00 44.55 N ATOM 1453 CA ALA A 92 5.250 1.687 -11.378 1.00 72.03 C ATOM 1454 C ALA A 92 5.454 0.337 -10.670 1.00 71.42 C ATOM 1455 O ALA A 92 6.549 0.026 -10.192 1.00 13.44 O ATOM 1456 CB ALA A 92 6.478 2.056 -12.201 1.00 61.32 C ATOM 0 H ALA A 92 5.633 3.497 -10.376 1.00 44.55 H new ATOM 0 HA ALA A 92 4.399 1.579 -12.050 1.00 72.03 H new ATOM 0 HB1 ALA A 92 6.698 1.254 -12.906 1.00 61.32 H new ATOM 0 HB2 ALA A 92 6.285 2.978 -12.749 1.00 61.32 H new ATOM 0 HB3 ALA A 92 7.331 2.200 -11.538 1.00 61.32 H new ATOM 1462 N LEU A 93 4.388 -0.456 -10.603 1.00 5.24 N ATOM 1463 CA LEU A 93 4.417 -1.757 -9.921 1.00 75.31 C ATOM 1464 C LEU A 93 5.537 -2.666 -10.457 1.00 61.40 C ATOM 1465 O LEU A 93 6.201 -3.359 -9.693 1.00 52.32 O ATOM 1466 CB LEU A 93 3.054 -2.460 -10.062 1.00 50.35 C ATOM 1467 CG LEU A 93 1.864 -1.724 -9.421 1.00 32.34 C ATOM 1468 CD1 LEU A 93 0.557 -2.470 -9.683 1.00 22.51 C ATOM 1469 CD2 LEU A 93 2.090 -1.538 -7.919 1.00 44.01 C ATOM 0 H LEU A 93 3.484 -0.222 -11.015 1.00 5.24 H new ATOM 0 HA LEU A 93 4.623 -1.569 -8.867 1.00 75.31 H new ATOM 0 HB2 LEU A 93 2.844 -2.601 -11.122 1.00 50.35 H new ATOM 0 HB3 LEU A 93 3.128 -3.452 -9.617 1.00 50.35 H new ATOM 0 HG LEU A 93 1.788 -0.738 -9.880 1.00 32.34 H new ATOM 0 HD11 LEU A 93 -0.269 -1.930 -9.220 1.00 22.51 H new ATOM 0 HD12 LEU A 93 0.388 -2.541 -10.757 1.00 22.51 H new ATOM 0 HD13 LEU A 93 0.619 -3.472 -9.259 1.00 22.51 H new ATOM 0 HD21 LEU A 93 1.238 -1.016 -7.485 1.00 44.01 H new ATOM 0 HD22 LEU A 93 2.199 -2.513 -7.444 1.00 44.01 H new ATOM 0 HD23 LEU A 93 2.995 -0.953 -7.757 1.00 44.01 H new ATOM 1481 N ARG A 94 5.759 -2.640 -11.770 1.00 55.00 N ATOM 1482 CA ARG A 94 6.770 -3.502 -12.406 1.00 1.51 C ATOM 1483 C ARG A 94 8.180 -3.319 -11.798 1.00 23.05 C ATOM 1484 O ARG A 94 9.031 -4.206 -11.912 1.00 12.21 O ATOM 1485 CB ARG A 94 6.819 -3.247 -13.921 1.00 31.50 C ATOM 1486 CG ARG A 94 7.440 -1.909 -14.320 1.00 41.12 C ATOM 1487 CD ARG A 94 7.492 -1.737 -15.839 1.00 22.43 C ATOM 1488 NE ARG A 94 8.330 -0.608 -16.240 1.00 34.41 N ATOM 1489 CZ ARG A 94 8.082 0.174 -17.258 1.00 54.04 C ATOM 1490 NH1 ARG A 94 7.013 0.009 -17.976 1.00 1.13 N ATOM 1491 NH2 ARG A 94 8.910 1.118 -17.562 1.00 45.15 N ATOM 0 H ARG A 94 5.256 -2.034 -12.419 1.00 55.00 H new ATOM 0 HA ARG A 94 6.465 -4.531 -12.216 1.00 1.51 H new ATOM 0 HB2 ARG A 94 7.384 -4.050 -14.394 1.00 31.50 H new ATOM 0 HB3 ARG A 94 5.805 -3.295 -14.317 1.00 31.50 H new ATOM 0 HG2 ARG A 94 6.862 -1.095 -13.882 1.00 41.12 H new ATOM 0 HG3 ARG A 94 8.448 -1.840 -13.912 1.00 41.12 H new ATOM 0 HD2 ARG A 94 7.875 -2.651 -16.293 1.00 22.43 H new ATOM 0 HD3 ARG A 94 6.482 -1.591 -16.221 1.00 22.43 H new ATOM 0 HE ARG A 94 9.166 -0.417 -15.687 1.00 34.41 H new ATOM 0 HH11 ARG A 94 6.356 -0.737 -17.748 1.00 1.13 H new ATOM 0 HH12 ARG A 94 6.830 0.625 -18.768 1.00 1.13 H new ATOM 0 HH21 ARG A 94 9.756 1.252 -17.008 1.00 45.15 H new ATOM 0 HH22 ARG A 94 8.718 1.729 -18.356 1.00 45.15 H new ATOM 1505 N LYS A 95 8.433 -2.170 -11.166 1.00 71.44 N ATOM 1506 CA LYS A 95 9.744 -1.902 -10.549 1.00 4.12 C ATOM 1507 C LYS A 95 9.667 -1.821 -9.011 1.00 22.22 C ATOM 1508 O LYS A 95 10.692 -1.881 -8.334 1.00 30.02 O ATOM 1509 CB LYS A 95 10.353 -0.612 -11.125 1.00 41.24 C ATOM 1510 CG LYS A 95 9.492 0.631 -10.922 1.00 10.24 C ATOM 1511 CD LYS A 95 10.117 1.882 -11.548 1.00 33.34 C ATOM 1512 CE LYS A 95 11.442 2.260 -10.891 1.00 53.41 C ATOM 1513 NZ LYS A 95 11.995 3.529 -11.440 1.00 72.44 N ATOM 0 H LYS A 95 7.757 -1.413 -11.066 1.00 71.44 H new ATOM 0 HA LYS A 95 10.391 -2.745 -10.792 1.00 4.12 H new ATOM 0 HB2 LYS A 95 11.326 -0.445 -10.663 1.00 41.24 H new ATOM 0 HB3 LYS A 95 10.526 -0.750 -12.192 1.00 41.24 H new ATOM 0 HG2 LYS A 95 8.507 0.463 -11.358 1.00 10.24 H new ATOM 0 HG3 LYS A 95 9.344 0.797 -9.855 1.00 10.24 H new ATOM 0 HD2 LYS A 95 10.278 1.711 -12.612 1.00 33.34 H new ATOM 0 HD3 LYS A 95 9.420 2.716 -11.461 1.00 33.34 H new ATOM 0 HE2 LYS A 95 11.297 2.363 -9.816 1.00 53.41 H new ATOM 0 HE3 LYS A 95 12.163 1.456 -11.040 1.00 53.41 H new ATOM 0 HZ1 LYS A 95 12.788 3.847 -10.847 1.00 72.44 H new ATOM 0 HZ2 LYS A 95 12.331 3.370 -12.411 1.00 72.44 H new ATOM 0 HZ3 LYS A 95 11.253 4.257 -11.445 1.00 72.44 H new ATOM 1527 N TYR A 96 8.456 -1.680 -8.457 1.00 72.41 N ATOM 1528 CA TYR A 96 8.288 -1.570 -6.994 1.00 0.33 C ATOM 1529 C TYR A 96 7.460 -2.708 -6.376 1.00 61.03 C ATOM 1530 O TYR A 96 7.211 -2.699 -5.171 1.00 31.34 O ATOM 1531 CB TYR A 96 7.647 -0.226 -6.632 1.00 73.10 C ATOM 1532 CG TYR A 96 8.558 0.953 -6.889 1.00 72.34 C ATOM 1533 CD1 TYR A 96 9.684 1.159 -6.102 1.00 32.51 C ATOM 1534 CD2 TYR A 96 8.299 1.854 -7.912 1.00 40.35 C ATOM 1535 CE1 TYR A 96 10.528 2.224 -6.329 1.00 33.24 C ATOM 1536 CE2 TYR A 96 9.140 2.925 -8.145 1.00 11.42 C ATOM 1537 CZ TYR A 96 10.252 3.103 -7.349 1.00 24.22 C ATOM 1538 OH TYR A 96 11.093 4.163 -7.579 1.00 63.11 O ATOM 0 H TYR A 96 7.586 -1.639 -8.988 1.00 72.41 H new ATOM 0 HA TYR A 96 9.291 -1.644 -6.575 1.00 0.33 H new ATOM 0 HB2 TYR A 96 6.730 -0.101 -7.207 1.00 73.10 H new ATOM 0 HB3 TYR A 96 7.364 -0.237 -5.579 1.00 73.10 H new ATOM 0 HD1 TYR A 96 9.902 0.472 -5.298 1.00 32.51 H new ATOM 0 HD2 TYR A 96 7.428 1.716 -8.535 1.00 40.35 H new ATOM 0 HE1 TYR A 96 11.401 2.367 -5.709 1.00 33.24 H new ATOM 0 HE2 TYR A 96 8.928 3.618 -8.945 1.00 11.42 H new ATOM 0 HH TYR A 96 11.455 4.102 -8.488 1.00 63.11 H new ATOM 1548 N LYS A 97 7.045 -3.686 -7.174 1.00 41.35 N ATOM 1549 CA LYS A 97 6.222 -4.784 -6.653 1.00 22.24 C ATOM 1550 C LYS A 97 6.997 -5.645 -5.643 1.00 12.11 C ATOM 1551 O LYS A 97 8.178 -5.960 -5.840 1.00 4.32 O ATOM 1552 CB LYS A 97 5.676 -5.662 -7.790 1.00 32.22 C ATOM 1553 CG LYS A 97 6.741 -6.419 -8.587 1.00 20.13 C ATOM 1554 CD LYS A 97 6.109 -7.309 -9.654 1.00 22.04 C ATOM 1555 CE LYS A 97 7.145 -8.140 -10.402 1.00 52.11 C ATOM 1556 NZ LYS A 97 6.506 -9.032 -11.405 1.00 53.42 N ATOM 0 H LYS A 97 7.258 -3.746 -8.170 1.00 41.35 H new ATOM 0 HA LYS A 97 5.379 -4.329 -6.133 1.00 22.24 H new ATOM 0 HB2 LYS A 97 4.977 -6.384 -7.368 1.00 32.22 H new ATOM 0 HB3 LYS A 97 5.109 -5.032 -8.476 1.00 32.22 H new ATOM 0 HG2 LYS A 97 7.419 -5.708 -9.059 1.00 20.13 H new ATOM 0 HG3 LYS A 97 7.340 -7.029 -7.910 1.00 20.13 H new ATOM 0 HD2 LYS A 97 5.383 -7.973 -9.186 1.00 22.04 H new ATOM 0 HD3 LYS A 97 5.562 -6.689 -10.364 1.00 22.04 H new ATOM 0 HE2 LYS A 97 7.853 -7.478 -10.901 1.00 52.11 H new ATOM 0 HE3 LYS A 97 7.715 -8.739 -9.691 1.00 52.11 H new ATOM 0 HZ1 LYS A 97 7.239 -9.583 -11.896 1.00 53.42 H new ATOM 0 HZ2 LYS A 97 5.849 -9.680 -10.925 1.00 53.42 H new ATOM 0 HZ3 LYS A 97 5.983 -8.458 -12.097 1.00 53.42 H new ATOM 1570 N TRP A 98 6.329 -6.008 -4.555 1.00 51.14 N ATOM 1571 CA TRP A 98 6.929 -6.835 -3.509 1.00 25.22 C ATOM 1572 C TRP A 98 6.921 -8.324 -3.887 1.00 52.52 C ATOM 1573 O TRP A 98 5.869 -8.904 -4.162 1.00 0.32 O ATOM 1574 CB TRP A 98 6.185 -6.621 -2.183 1.00 43.55 C ATOM 1575 CG TRP A 98 6.623 -7.542 -1.078 1.00 12.11 C ATOM 1576 CD1 TRP A 98 7.903 -7.824 -0.697 1.00 54.05 C ATOM 1577 CD2 TRP A 98 5.773 -8.294 -0.205 1.00 5.51 C ATOM 1578 NE1 TRP A 98 7.898 -8.705 0.357 1.00 55.41 N ATOM 1579 CE2 TRP A 98 6.603 -9.008 0.677 1.00 3.24 C ATOM 1580 CE3 TRP A 98 4.387 -8.429 -0.087 1.00 62.34 C ATOM 1581 CZ2 TRP A 98 6.092 -9.843 1.666 1.00 1.15 C ATOM 1582 CZ3 TRP A 98 3.883 -9.260 0.893 1.00 41.10 C ATOM 1583 CH2 TRP A 98 4.733 -9.957 1.762 1.00 21.11 C ATOM 0 H TRP A 98 5.362 -5.741 -4.371 1.00 51.14 H new ATOM 0 HA TRP A 98 7.969 -6.530 -3.396 1.00 25.22 H new ATOM 0 HB2 TRP A 98 6.329 -5.590 -1.860 1.00 43.55 H new ATOM 0 HB3 TRP A 98 5.117 -6.756 -2.352 1.00 43.55 H new ATOM 0 HD1 TRP A 98 8.790 -7.414 -1.157 1.00 54.05 H new ATOM 0 HE1 TRP A 98 8.726 -9.074 0.825 1.00 55.41 H new ATOM 0 HE3 TRP A 98 3.723 -7.894 -0.750 1.00 62.34 H new ATOM 0 HZ2 TRP A 98 6.746 -10.382 2.335 1.00 1.15 H new ATOM 0 HZ3 TRP A 98 2.814 -9.375 0.992 1.00 41.10 H new ATOM 0 HH2 TRP A 98 4.307 -10.596 2.521 1.00 21.11 H new ATOM 1594 N GLN A 99 8.105 -8.927 -3.897 1.00 4.31 N ATOM 1595 CA GLN A 99 8.258 -10.359 -4.144 1.00 71.32 C ATOM 1596 C GLN A 99 8.458 -11.115 -2.816 1.00 54.33 C ATOM 1597 O GLN A 99 9.547 -11.093 -2.240 1.00 70.51 O ATOM 1598 CB GLN A 99 9.451 -10.597 -5.084 1.00 53.34 C ATOM 1599 CG GLN A 99 9.726 -12.065 -5.389 1.00 75.30 C ATOM 1600 CD GLN A 99 10.921 -12.257 -6.308 1.00 3.12 C ATOM 1601 OE1 GLN A 99 12.054 -12.383 -5.858 1.00 30.32 O ATOM 1602 NE2 GLN A 99 10.681 -12.282 -7.603 1.00 52.10 N ATOM 0 H GLN A 99 8.986 -8.439 -3.734 1.00 4.31 H new ATOM 0 HA GLN A 99 7.352 -10.737 -4.618 1.00 71.32 H new ATOM 0 HB2 GLN A 99 9.271 -10.071 -6.021 1.00 53.34 H new ATOM 0 HB3 GLN A 99 10.343 -10.157 -4.638 1.00 53.34 H new ATOM 0 HG2 GLN A 99 9.901 -12.600 -4.455 1.00 75.30 H new ATOM 0 HG3 GLN A 99 8.843 -12.508 -5.850 1.00 75.30 H new ATOM 0 HE21 GLN A 99 9.727 -12.174 -7.947 1.00 52.10 H new ATOM 0 HE22 GLN A 99 11.449 -12.409 -8.262 1.00 52.10 H new ATOM 1611 N PRO A 100 7.402 -11.785 -2.304 1.00 32.03 N ATOM 1612 CA PRO A 100 7.462 -12.505 -1.017 1.00 64.23 C ATOM 1613 C PRO A 100 8.148 -13.882 -1.113 1.00 74.55 C ATOM 1614 O PRO A 100 8.169 -14.647 -0.144 1.00 0.22 O ATOM 1615 CB PRO A 100 5.981 -12.666 -0.658 1.00 14.31 C ATOM 1616 CG PRO A 100 5.285 -12.761 -1.976 1.00 64.42 C ATOM 1617 CD PRO A 100 6.063 -11.880 -2.927 1.00 50.20 C ATOM 0 HA PRO A 100 8.055 -11.966 -0.278 1.00 64.23 H new ATOM 0 HB2 PRO A 100 5.813 -13.559 -0.055 1.00 14.31 H new ATOM 0 HB3 PRO A 100 5.619 -11.817 -0.078 1.00 14.31 H new ATOM 0 HG2 PRO A 100 5.261 -13.791 -2.331 1.00 64.42 H new ATOM 0 HG3 PRO A 100 4.250 -12.428 -1.895 1.00 64.42 H new ATOM 0 HD2 PRO A 100 6.116 -12.317 -3.924 1.00 50.20 H new ATOM 0 HD3 PRO A 100 5.600 -10.899 -3.033 1.00 50.20 H new ATOM 1625 N LEU A 101 8.702 -14.190 -2.284 1.00 33.02 N ATOM 1626 CA LEU A 101 9.343 -15.489 -2.532 1.00 40.23 C ATOM 1627 C LEU A 101 10.539 -15.362 -3.497 1.00 74.12 C ATOM 1628 O LEU A 101 10.386 -15.423 -4.719 1.00 54.10 O ATOM 1629 CB LEU A 101 8.303 -16.507 -3.054 1.00 30.21 C ATOM 1630 CG LEU A 101 7.084 -15.912 -3.798 1.00 13.14 C ATOM 1631 CD1 LEU A 101 7.494 -15.221 -5.097 1.00 71.30 C ATOM 1632 CD2 LEU A 101 6.041 -16.994 -4.069 1.00 30.52 C ATOM 0 H LEU A 101 8.722 -13.556 -3.083 1.00 33.02 H new ATOM 0 HA LEU A 101 9.740 -15.856 -1.585 1.00 40.23 H new ATOM 0 HB2 LEU A 101 8.809 -17.201 -3.725 1.00 30.21 H new ATOM 0 HB3 LEU A 101 7.938 -17.089 -2.208 1.00 30.21 H new ATOM 0 HG LEU A 101 6.642 -15.154 -3.151 1.00 13.14 H new ATOM 0 HD11 LEU A 101 6.609 -14.817 -5.589 1.00 71.30 H new ATOM 0 HD12 LEU A 101 8.188 -14.410 -4.875 1.00 71.30 H new ATOM 0 HD13 LEU A 101 7.978 -15.942 -5.756 1.00 71.30 H new ATOM 0 HD21 LEU A 101 5.191 -16.557 -4.593 1.00 30.52 H new ATOM 0 HD22 LEU A 101 6.482 -17.779 -4.684 1.00 30.52 H new ATOM 0 HD23 LEU A 101 5.705 -17.420 -3.124 1.00 30.52 H new ATOM 1644 N GLU A 102 11.729 -15.170 -2.933 1.00 43.32 N ATOM 1645 CA GLU A 102 12.957 -15.022 -3.730 1.00 52.44 C ATOM 1646 C GLU A 102 13.911 -16.226 -3.559 1.00 64.04 C ATOM 1647 O GLU A 102 13.801 -17.188 -4.350 1.00 36.39 O ATOM 1648 CB GLU A 102 13.671 -13.688 -3.394 1.00 34.34 C ATOM 1649 CG GLU A 102 13.222 -13.012 -2.091 1.00 34.44 C ATOM 1650 CD GLU A 102 13.534 -13.817 -0.836 1.00 31.43 C ATOM 1651 OE1 GLU A 102 14.706 -13.823 -0.401 1.00 21.32 O ATOM 1652 OE2 GLU A 102 12.605 -14.431 -0.265 1.00 53.43 O ATOM 0 H GLU A 102 11.875 -15.112 -1.925 1.00 43.32 H new ATOM 0 HA GLU A 102 12.663 -14.999 -4.779 1.00 52.44 H new ATOM 0 HB2 GLU A 102 14.743 -13.874 -3.336 1.00 34.34 H new ATOM 0 HB3 GLU A 102 13.512 -12.993 -4.218 1.00 34.34 H new ATOM 0 HG2 GLU A 102 13.704 -12.038 -2.014 1.00 34.44 H new ATOM 0 HG3 GLU A 102 12.148 -12.833 -2.138 1.00 34.44 H new TER 1659 GLU A 102