USER MOD reduce.3.24.130724 H: found=0, std=0, add=820, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 819 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 23 TYR OH : rot 67:sc= 0.706 USER MOD Set 1.2: A 65 SER OG : rot -123:sc= 0.794 USER MOD Set 2.1: A 22 THR OG1 : rot -165:sc= -2.23! USER MOD Set 2.2: A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 3 GLN : amide:sc= -0.0834 X(o=-0.083,f=-0.019) USER MOD Single : A 7 GLN : amide:sc= -0.384 X(o=-0.38,f=-0.16) USER MOD Single : A 13 HIS : no HD1:sc=-0.00517 X(o=-0.0052,f=-0.17) USER MOD Single : A 14 GLN :FLIP amide:sc=-0.00102 F(o=-1.4,f=-0.001) USER MOD Single : A 17 LYS NZ :NH3+ -158:sc= -0.116 (180deg=-0.613) USER MOD Single : A 19 LYS NZ :NH3+ 137:sc= 1.27 (180deg=0.104) USER MOD Single : A 21 SER OG : rot 180:sc= -0.323 USER MOD Single : A 28 LYS NZ :NH3+ -171:sc= 0.785 (180deg=0.304) USER MOD Single : A 29 MET CE :methyl -179:sc= -1.05 (180deg=-1.05) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 HIS : no HD1:sc=-0.00636 X(o=-0.0064,f=0) USER MOD Single : A 41 LYS NZ :NH3+ 174:sc=-0.00213 (180deg=-0.0542) USER MOD Single : A 45 ASN : amide:sc= 0 X(o=0,f=-0.062) USER MOD Single : A 50 SER OG : rot 96:sc= 0.337 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 ASN : amide:sc= -2.63! X(o=-2.6!,f=-2.4) USER MOD Single : A 61 GLN : amide:sc= -0.225 X(o=-0.22,f=-0.046) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0142) USER MOD Single : A 74 GLN : amide:sc= -0.976 K(o=-0.98,f=-2) USER MOD Single : A 75 LYS NZ :NH3+ 179:sc= 1.06 (180deg=1.01) USER MOD Single : A 76 GLN : amide:sc= 0.454 X(o=0.45,f=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 SER OG : rot 180:sc=-0.000704 USER MOD Single : A 90 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00494) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 TYR OH : rot 165:sc= 0.763 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 GLN :FLIP amide:sc= -0.0112 F(o=-1.1,f=-0.011) USER MOD ----------------------------------------------------------------- ATOM 20 N ASP A 2 -10.638 -9.564 14.641 1.00 74.14 N ATOM 21 CA ASP A 2 -10.897 -10.811 13.905 1.00 61.45 C ATOM 22 C ASP A 2 -9.646 -11.304 13.152 1.00 53.10 C ATOM 23 O ASP A 2 -8.737 -10.525 12.847 1.00 15.23 O ATOM 24 CB ASP A 2 -12.067 -10.609 12.929 1.00 61.31 C ATOM 25 CG ASP A 2 -12.403 -11.868 12.142 1.00 2.54 C ATOM 26 OD1 ASP A 2 -13.142 -12.728 12.669 1.00 4.34 O ATOM 27 OD2 ASP A 2 -11.910 -12.013 11.006 1.00 62.11 O ATOM 0 HA ASP A 2 -11.161 -11.579 14.632 1.00 61.45 H new ATOM 0 HB2 ASP A 2 -12.947 -10.288 13.486 1.00 61.31 H new ATOM 0 HB3 ASP A 2 -11.820 -9.807 12.234 1.00 61.31 H new ATOM 32 N GLN A 3 -9.619 -12.606 12.856 1.00 13.24 N ATOM 33 CA GLN A 3 -8.499 -13.238 12.142 1.00 1.14 C ATOM 34 C GLN A 3 -8.102 -12.463 10.875 1.00 62.14 C ATOM 35 O GLN A 3 -6.916 -12.338 10.564 1.00 21.21 O ATOM 36 CB GLN A 3 -8.864 -14.680 11.770 1.00 53.24 C ATOM 37 CG GLN A 3 -9.132 -15.581 12.970 1.00 70.02 C ATOM 38 CD GLN A 3 -7.903 -15.782 13.843 1.00 2.22 C ATOM 39 OE1 GLN A 3 -7.122 -16.705 13.632 1.00 44.23 O ATOM 40 NE2 GLN A 3 -7.728 -14.926 14.828 1.00 4.31 N ATOM 0 H GLN A 3 -10.369 -13.253 13.102 1.00 13.24 H new ATOM 0 HA GLN A 3 -7.641 -13.230 12.815 1.00 1.14 H new ATOM 0 HB2 GLN A 3 -9.749 -14.667 11.133 1.00 53.24 H new ATOM 0 HB3 GLN A 3 -8.053 -15.109 11.181 1.00 53.24 H new ATOM 0 HG2 GLN A 3 -9.932 -15.149 13.571 1.00 70.02 H new ATOM 0 HG3 GLN A 3 -9.485 -16.551 12.619 1.00 70.02 H new ATOM 0 HE21 GLN A 3 -8.398 -14.171 14.973 1.00 4.31 H new ATOM 0 HE22 GLN A 3 -6.922 -15.018 15.446 1.00 4.31 H new ATOM 49 N PHE A 4 -9.095 -11.943 10.157 1.00 0.23 N ATOM 50 CA PHE A 4 -8.846 -11.156 8.943 1.00 72.30 C ATOM 51 C PHE A 4 -7.869 -10.001 9.215 1.00 52.33 C ATOM 52 O PHE A 4 -6.843 -9.868 8.545 1.00 13.31 O ATOM 53 CB PHE A 4 -10.168 -10.609 8.388 1.00 74.20 C ATOM 54 CG PHE A 4 -9.996 -9.658 7.224 1.00 62.22 C ATOM 55 CD1 PHE A 4 -9.502 -10.110 6.009 1.00 63.52 C ATOM 56 CD2 PHE A 4 -10.326 -8.314 7.349 1.00 24.13 C ATOM 57 CE1 PHE A 4 -9.339 -9.244 4.945 1.00 2.12 C ATOM 58 CE2 PHE A 4 -10.165 -7.445 6.286 1.00 65.21 C ATOM 59 CZ PHE A 4 -9.672 -7.910 5.083 1.00 35.44 C ATOM 0 H PHE A 4 -10.082 -12.050 10.392 1.00 0.23 H new ATOM 0 HA PHE A 4 -8.391 -11.815 8.203 1.00 72.30 H new ATOM 0 HB2 PHE A 4 -10.792 -11.445 8.073 1.00 74.20 H new ATOM 0 HB3 PHE A 4 -10.702 -10.096 9.188 1.00 74.20 H new ATOM 0 HD1 PHE A 4 -9.242 -11.152 5.893 1.00 63.52 H new ATOM 0 HD2 PHE A 4 -10.713 -7.944 8.287 1.00 24.13 H new ATOM 0 HE1 PHE A 4 -8.951 -9.610 4.006 1.00 2.12 H new ATOM 0 HE2 PHE A 4 -10.425 -6.403 6.396 1.00 65.21 H new ATOM 0 HZ PHE A 4 -9.547 -7.232 4.251 1.00 35.44 H new ATOM 69 N LEU A 5 -8.192 -9.179 10.210 1.00 21.35 N ATOM 70 CA LEU A 5 -7.353 -8.033 10.576 1.00 74.43 C ATOM 71 C LEU A 5 -5.971 -8.490 11.067 1.00 33.31 C ATOM 72 O LEU A 5 -4.950 -7.893 10.721 1.00 3.11 O ATOM 73 CB LEU A 5 -8.047 -7.184 11.651 1.00 23.35 C ATOM 74 CG LEU A 5 -9.402 -6.580 11.236 1.00 24.24 C ATOM 75 CD1 LEU A 5 -10.024 -5.797 12.392 1.00 24.53 C ATOM 76 CD2 LEU A 5 -9.242 -5.690 10.004 1.00 35.22 C ATOM 0 H LEU A 5 -9.031 -9.283 10.781 1.00 21.35 H new ATOM 0 HA LEU A 5 -7.209 -7.424 9.684 1.00 74.43 H new ATOM 0 HB2 LEU A 5 -8.198 -7.801 12.537 1.00 23.35 H new ATOM 0 HB3 LEU A 5 -7.378 -6.373 11.938 1.00 23.35 H new ATOM 0 HG LEU A 5 -10.075 -7.399 10.980 1.00 24.24 H new ATOM 0 HD11 LEU A 5 -10.980 -5.380 12.076 1.00 24.53 H new ATOM 0 HD12 LEU A 5 -10.182 -6.464 13.240 1.00 24.53 H new ATOM 0 HD13 LEU A 5 -9.354 -4.989 12.686 1.00 24.53 H new ATOM 0 HD21 LEU A 5 -10.211 -5.274 9.728 1.00 35.22 H new ATOM 0 HD22 LEU A 5 -8.549 -4.879 10.228 1.00 35.22 H new ATOM 0 HD23 LEU A 5 -8.852 -6.282 9.176 1.00 35.22 H new ATOM 88 N VAL A 6 -5.949 -9.563 11.856 1.00 74.33 N ATOM 89 CA VAL A 6 -4.694 -10.127 12.373 1.00 23.12 C ATOM 90 C VAL A 6 -3.716 -10.477 11.239 1.00 13.40 C ATOM 91 O VAL A 6 -2.537 -10.105 11.276 1.00 52.24 O ATOM 92 CB VAL A 6 -4.958 -11.398 13.228 1.00 22.11 C ATOM 93 CG1 VAL A 6 -3.649 -11.999 13.744 1.00 54.54 C ATOM 94 CG2 VAL A 6 -5.900 -11.086 14.391 1.00 52.32 C ATOM 0 H VAL A 6 -6.786 -10.063 12.154 1.00 74.33 H new ATOM 0 HA VAL A 6 -4.243 -9.358 13.000 1.00 23.12 H new ATOM 0 HB VAL A 6 -5.438 -12.136 12.585 1.00 22.11 H new ATOM 0 HG11 VAL A 6 -3.866 -12.887 14.339 1.00 54.54 H new ATOM 0 HG12 VAL A 6 -3.017 -12.273 12.900 1.00 54.54 H new ATOM 0 HG13 VAL A 6 -3.131 -11.266 14.362 1.00 54.54 H new ATOM 0 HG21 VAL A 6 -6.070 -11.991 14.975 1.00 52.32 H new ATOM 0 HG22 VAL A 6 -5.452 -10.322 15.027 1.00 52.32 H new ATOM 0 HG23 VAL A 6 -6.851 -10.722 14.002 1.00 52.32 H new ATOM 104 N GLN A 7 -4.215 -11.184 10.227 1.00 44.14 N ATOM 105 CA GLN A 7 -3.376 -11.639 9.116 1.00 32.21 C ATOM 106 C GLN A 7 -2.913 -10.481 8.217 1.00 11.45 C ATOM 107 O GLN A 7 -1.718 -10.327 7.962 1.00 44.30 O ATOM 108 CB GLN A 7 -4.120 -12.689 8.278 1.00 74.10 C ATOM 109 CG GLN A 7 -4.496 -13.947 9.055 1.00 63.11 C ATOM 110 CD GLN A 7 -3.300 -14.600 9.732 1.00 22.14 C ATOM 111 OE1 GLN A 7 -2.614 -15.435 9.150 1.00 0.03 O ATOM 112 NE2 GLN A 7 -3.042 -14.226 10.969 1.00 14.23 N ATOM 0 H GLN A 7 -5.195 -11.455 10.152 1.00 44.14 H new ATOM 0 HA GLN A 7 -2.484 -12.087 9.555 1.00 32.21 H new ATOM 0 HB2 GLN A 7 -5.027 -12.240 7.872 1.00 74.10 H new ATOM 0 HB3 GLN A 7 -3.496 -12.971 7.429 1.00 74.10 H new ATOM 0 HG2 GLN A 7 -5.241 -13.694 9.809 1.00 63.11 H new ATOM 0 HG3 GLN A 7 -4.960 -14.663 8.376 1.00 63.11 H new ATOM 0 HE21 GLN A 7 -3.632 -13.529 11.425 1.00 14.23 H new ATOM 0 HE22 GLN A 7 -2.253 -14.633 11.471 1.00 14.23 H new ATOM 121 N ILE A 8 -3.854 -9.661 7.742 1.00 52.21 N ATOM 122 CA ILE A 8 -3.512 -8.562 6.829 1.00 21.31 C ATOM 123 C ILE A 8 -2.521 -7.570 7.468 1.00 62.22 C ATOM 124 O ILE A 8 -1.583 -7.116 6.813 1.00 44.03 O ATOM 125 CB ILE A 8 -4.766 -7.800 6.320 1.00 32.35 C ATOM 126 CG1 ILE A 8 -5.533 -7.150 7.482 1.00 11.44 C ATOM 127 CG2 ILE A 8 -5.676 -8.741 5.530 1.00 32.02 C ATOM 128 CD1 ILE A 8 -6.728 -6.328 7.044 1.00 53.34 C ATOM 0 H ILE A 8 -4.846 -9.733 7.969 1.00 52.21 H new ATOM 0 HA ILE A 8 -3.031 -9.030 5.970 1.00 21.31 H new ATOM 0 HB ILE A 8 -4.431 -7.002 5.657 1.00 32.35 H new ATOM 0 HG12 ILE A 8 -5.871 -7.931 8.163 1.00 11.44 H new ATOM 0 HG13 ILE A 8 -4.851 -6.511 8.043 1.00 11.44 H new ATOM 0 HG21 ILE A 8 -6.550 -8.193 5.180 1.00 32.02 H new ATOM 0 HG22 ILE A 8 -5.132 -9.140 4.674 1.00 32.02 H new ATOM 0 HG23 ILE A 8 -5.996 -9.562 6.172 1.00 32.02 H new ATOM 0 HD11 ILE A 8 -7.217 -5.902 7.920 1.00 53.34 H new ATOM 0 HD12 ILE A 8 -6.396 -5.524 6.387 1.00 53.34 H new ATOM 0 HD13 ILE A 8 -7.432 -6.966 6.509 1.00 53.34 H new ATOM 140 N PHE A 9 -2.715 -7.255 8.752 1.00 55.23 N ATOM 141 CA PHE A 9 -1.798 -6.358 9.472 1.00 74.33 C ATOM 142 C PHE A 9 -0.388 -6.962 9.566 1.00 25.40 C ATOM 143 O PHE A 9 0.610 -6.256 9.410 1.00 2.45 O ATOM 144 CB PHE A 9 -2.334 -6.042 10.879 1.00 61.13 C ATOM 145 CG PHE A 9 -3.575 -5.172 10.901 1.00 20.55 C ATOM 146 CD1 PHE A 9 -4.171 -4.733 9.724 1.00 75.42 C ATOM 147 CD2 PHE A 9 -4.144 -4.786 12.109 1.00 64.23 C ATOM 148 CE1 PHE A 9 -5.298 -3.933 9.751 1.00 75.11 C ATOM 149 CE2 PHE A 9 -5.272 -3.986 12.140 1.00 55.45 C ATOM 150 CZ PHE A 9 -5.849 -3.561 10.961 1.00 22.30 C ATOM 0 H PHE A 9 -3.492 -7.603 9.313 1.00 55.23 H new ATOM 0 HA PHE A 9 -1.735 -5.429 8.905 1.00 74.33 H new ATOM 0 HB2 PHE A 9 -2.555 -6.980 11.388 1.00 61.13 H new ATOM 0 HB3 PHE A 9 -1.549 -5.546 11.450 1.00 61.13 H new ATOM 0 HD1 PHE A 9 -3.747 -5.022 8.774 1.00 75.42 H new ATOM 0 HD2 PHE A 9 -3.699 -5.115 13.036 1.00 64.23 H new ATOM 0 HE1 PHE A 9 -5.747 -3.599 8.827 1.00 75.11 H new ATOM 0 HE2 PHE A 9 -5.701 -3.694 13.087 1.00 55.45 H new ATOM 0 HZ PHE A 9 -6.731 -2.938 10.985 1.00 22.30 H new ATOM 160 N ALA A 10 -0.313 -8.270 9.820 1.00 12.53 N ATOM 161 CA ALA A 10 0.971 -8.976 9.861 1.00 71.31 C ATOM 162 C ALA A 10 1.716 -8.857 8.520 1.00 2.43 C ATOM 163 O ALA A 10 2.919 -8.601 8.481 1.00 64.21 O ATOM 164 CB ALA A 10 0.756 -10.442 10.226 1.00 13.32 C ATOM 0 H ALA A 10 -1.124 -8.862 10.000 1.00 12.53 H new ATOM 0 HA ALA A 10 1.590 -8.510 10.628 1.00 71.31 H new ATOM 0 HB1 ALA A 10 1.717 -10.955 10.253 1.00 13.32 H new ATOM 0 HB2 ALA A 10 0.282 -10.507 11.205 1.00 13.32 H new ATOM 0 HB3 ALA A 10 0.115 -10.912 9.481 1.00 13.32 H new ATOM 170 N VAL A 11 0.980 -9.032 7.423 1.00 4.51 N ATOM 171 CA VAL A 11 1.550 -8.917 6.076 1.00 62.02 C ATOM 172 C VAL A 11 2.038 -7.483 5.790 1.00 43.33 C ATOM 173 O VAL A 11 3.129 -7.283 5.252 1.00 40.51 O ATOM 174 CB VAL A 11 0.515 -9.332 4.996 1.00 3.30 C ATOM 175 CG1 VAL A 11 1.117 -9.251 3.594 1.00 34.24 C ATOM 176 CG2 VAL A 11 -0.019 -10.737 5.272 1.00 30.11 C ATOM 0 H VAL A 11 -0.015 -9.255 7.438 1.00 4.51 H new ATOM 0 HA VAL A 11 2.404 -9.593 6.033 1.00 62.02 H new ATOM 0 HB VAL A 11 -0.318 -8.631 5.044 1.00 3.30 H new ATOM 0 HG11 VAL A 11 0.369 -9.547 2.859 1.00 34.24 H new ATOM 0 HG12 VAL A 11 1.437 -8.228 3.394 1.00 34.24 H new ATOM 0 HG13 VAL A 11 1.976 -9.919 3.527 1.00 34.24 H new ATOM 0 HG21 VAL A 11 -0.743 -11.009 4.504 1.00 30.11 H new ATOM 0 HG22 VAL A 11 0.806 -11.449 5.261 1.00 30.11 H new ATOM 0 HG23 VAL A 11 -0.502 -10.757 6.249 1.00 30.11 H new ATOM 186 N ILE A 12 1.231 -6.490 6.163 1.00 14.12 N ATOM 187 CA ILE A 12 1.570 -5.079 5.923 1.00 20.42 C ATOM 188 C ILE A 12 2.783 -4.622 6.758 1.00 12.23 C ATOM 189 O ILE A 12 3.576 -3.792 6.315 1.00 52.53 O ATOM 190 CB ILE A 12 0.359 -4.156 6.209 1.00 22.22 C ATOM 191 CG1 ILE A 12 -0.832 -4.550 5.320 1.00 3.43 C ATOM 192 CG2 ILE A 12 0.725 -2.683 5.998 1.00 61.22 C ATOM 193 CD1 ILE A 12 -2.101 -3.783 5.618 1.00 14.20 C ATOM 0 H ILE A 12 0.337 -6.632 6.633 1.00 14.12 H new ATOM 0 HA ILE A 12 1.837 -4.999 4.869 1.00 20.42 H new ATOM 0 HB ILE A 12 0.074 -4.283 7.253 1.00 22.22 H new ATOM 0 HG12 ILE A 12 -0.561 -4.393 4.276 1.00 3.43 H new ATOM 0 HG13 ILE A 12 -1.026 -5.616 5.442 1.00 3.43 H new ATOM 0 HG21 ILE A 12 -0.144 -2.059 6.206 1.00 61.22 H new ATOM 0 HG22 ILE A 12 1.537 -2.410 6.671 1.00 61.22 H new ATOM 0 HG23 ILE A 12 1.042 -2.531 4.966 1.00 61.22 H new ATOM 0 HD11 ILE A 12 -2.894 -4.118 4.950 1.00 14.20 H new ATOM 0 HD12 ILE A 12 -2.399 -3.960 6.652 1.00 14.20 H new ATOM 0 HD13 ILE A 12 -1.926 -2.718 5.468 1.00 14.20 H new ATOM 205 N HIS A 13 2.936 -5.162 7.967 1.00 63.15 N ATOM 206 CA HIS A 13 4.115 -4.857 8.794 1.00 10.33 C ATOM 207 C HIS A 13 5.418 -5.349 8.134 1.00 60.43 C ATOM 208 O HIS A 13 6.506 -4.857 8.440 1.00 62.12 O ATOM 209 CB HIS A 13 3.977 -5.472 10.199 1.00 52.34 C ATOM 210 CG HIS A 13 3.474 -4.508 11.236 1.00 23.33 C ATOM 211 ND1 HIS A 13 4.181 -3.371 11.543 1.00 21.24 N ATOM 212 CD2 HIS A 13 2.361 -4.555 12.011 1.00 43.44 C ATOM 213 CE1 HIS A 13 3.494 -2.756 12.487 1.00 61.24 C ATOM 214 NE2 HIS A 13 2.384 -3.434 12.809 1.00 0.13 N ATOM 0 H HIS A 13 2.271 -5.805 8.396 1.00 63.15 H new ATOM 0 HA HIS A 13 4.168 -3.772 8.885 1.00 10.33 H new ATOM 0 HB2 HIS A 13 3.298 -6.323 10.148 1.00 52.34 H new ATOM 0 HB3 HIS A 13 4.947 -5.857 10.514 1.00 52.34 H new ATOM 0 HD2 HIS A 13 1.603 -5.324 12.003 1.00 43.44 H new ATOM 0 HE1 HIS A 13 3.790 -1.823 12.943 1.00 61.24 H new ATOM 0 HE2 HIS A 13 1.691 -3.171 13.509 1.00 0.13 H new ATOM 222 N GLN A 14 5.298 -6.309 7.221 1.00 4.23 N ATOM 223 CA GLN A 14 6.464 -6.917 6.565 1.00 12.44 C ATOM 224 C GLN A 14 6.921 -6.142 5.315 1.00 24.40 C ATOM 225 O GLN A 14 7.929 -6.502 4.701 1.00 72.41 O ATOM 226 CB GLN A 14 6.147 -8.367 6.179 1.00 2.14 C ATOM 227 CG GLN A 14 5.922 -9.298 7.366 1.00 72.14 C ATOM 228 CD GLN A 14 5.526 -10.708 6.947 1.00 45.01 C ATOM 229 OE1 GLN A 14 4.788 -10.829 5.859 1.00 21.51 O flip ATOM 230 NE2 GLN A 14 5.871 -11.684 7.605 1.00 34.22 N flip ATOM 0 H GLN A 14 4.402 -6.688 6.914 1.00 4.23 H new ATOM 0 HA GLN A 14 7.283 -6.884 7.283 1.00 12.44 H new ATOM 0 HB2 GLN A 14 5.256 -8.377 5.551 1.00 2.14 H new ATOM 0 HB3 GLN A 14 6.967 -8.758 5.576 1.00 2.14 H new ATOM 0 HG2 GLN A 14 6.833 -9.344 7.963 1.00 72.14 H new ATOM 0 HG3 GLN A 14 5.143 -8.882 8.005 1.00 72.14 H new ATOM 0 HE21 GLN A 14 6.441 -11.559 8.441 1.00 34.22 H new ATOM 0 HE22 GLN A 14 5.588 -12.620 7.316 1.00 34.22 H new ATOM 239 N ILE A 15 6.188 -5.093 4.931 1.00 10.24 N ATOM 240 CA ILE A 15 6.555 -4.296 3.749 1.00 43.31 C ATOM 241 C ILE A 15 7.984 -3.729 3.893 1.00 11.33 C ATOM 242 O ILE A 15 8.253 -2.917 4.783 1.00 30.21 O ATOM 243 CB ILE A 15 5.565 -3.126 3.502 1.00 15.42 C ATOM 244 CG1 ILE A 15 4.117 -3.638 3.399 1.00 11.42 C ATOM 245 CG2 ILE A 15 5.950 -2.368 2.231 1.00 44.03 C ATOM 246 CD1 ILE A 15 3.859 -4.544 2.214 1.00 72.11 C ATOM 0 H ILE A 15 5.346 -4.776 5.412 1.00 10.24 H new ATOM 0 HA ILE A 15 6.510 -4.969 2.893 1.00 43.31 H new ATOM 0 HB ILE A 15 5.624 -2.447 4.352 1.00 15.42 H new ATOM 0 HG12 ILE A 15 3.868 -4.176 4.314 1.00 11.42 H new ATOM 0 HG13 ILE A 15 3.445 -2.782 3.340 1.00 11.42 H new ATOM 0 HG21 ILE A 15 5.248 -1.550 2.069 1.00 44.03 H new ATOM 0 HG22 ILE A 15 6.957 -1.966 2.338 1.00 44.03 H new ATOM 0 HG23 ILE A 15 5.919 -3.047 1.379 1.00 44.03 H new ATOM 0 HD11 ILE A 15 2.815 -4.859 2.217 1.00 72.11 H new ATOM 0 HD12 ILE A 15 4.073 -4.005 1.291 1.00 72.11 H new ATOM 0 HD13 ILE A 15 4.503 -5.421 2.280 1.00 72.11 H new ATOM 258 N PRO A 16 8.921 -4.147 3.017 1.00 15.31 N ATOM 259 CA PRO A 16 10.338 -3.766 3.127 1.00 23.41 C ATOM 260 C PRO A 16 10.617 -2.305 2.742 1.00 52.30 C ATOM 261 O PRO A 16 9.881 -1.688 1.962 1.00 22.53 O ATOM 262 CB PRO A 16 11.032 -4.725 2.151 1.00 31.11 C ATOM 263 CG PRO A 16 9.996 -5.026 1.123 1.00 65.13 C ATOM 264 CD PRO A 16 8.675 -5.022 1.852 1.00 35.53 C ATOM 0 HA PRO A 16 10.690 -3.838 4.156 1.00 23.41 H new ATOM 0 HB2 PRO A 16 11.914 -4.266 1.703 1.00 31.11 H new ATOM 0 HB3 PRO A 16 11.366 -5.632 2.655 1.00 31.11 H new ATOM 0 HG2 PRO A 16 10.006 -4.280 0.329 1.00 65.13 H new ATOM 0 HG3 PRO A 16 10.180 -5.993 0.654 1.00 65.13 H new ATOM 0 HD2 PRO A 16 7.872 -4.636 1.224 1.00 35.53 H new ATOM 0 HD3 PRO A 16 8.384 -6.026 2.160 1.00 35.53 H new ATOM 272 N LYS A 17 11.700 -1.766 3.290 1.00 10.34 N ATOM 273 CA LYS A 17 12.116 -0.387 3.032 1.00 15.33 C ATOM 274 C LYS A 17 12.453 -0.168 1.545 1.00 60.12 C ATOM 275 O LYS A 17 13.563 -0.469 1.101 1.00 1.23 O ATOM 276 CB LYS A 17 13.340 -0.068 3.905 1.00 24.25 C ATOM 277 CG LYS A 17 13.808 1.384 3.849 1.00 32.11 C ATOM 278 CD LYS A 17 12.819 2.329 4.524 1.00 4.11 C ATOM 279 CE LYS A 17 13.409 3.723 4.711 1.00 61.43 C ATOM 280 NZ LYS A 17 14.662 3.697 5.516 1.00 12.14 N ATOM 0 H LYS A 17 12.317 -2.271 3.927 1.00 10.34 H new ATOM 0 HA LYS A 17 11.292 0.281 3.281 1.00 15.33 H new ATOM 0 HB2 LYS A 17 13.106 -0.319 4.939 1.00 24.25 H new ATOM 0 HB3 LYS A 17 14.164 -0.712 3.599 1.00 24.25 H new ATOM 0 HG2 LYS A 17 14.781 1.470 4.333 1.00 32.11 H new ATOM 0 HG3 LYS A 17 13.942 1.682 2.809 1.00 32.11 H new ATOM 0 HD2 LYS A 17 11.912 2.395 3.924 1.00 4.11 H new ATOM 0 HD3 LYS A 17 12.531 1.923 5.494 1.00 4.11 H new ATOM 0 HE2 LYS A 17 13.614 4.163 3.735 1.00 61.43 H new ATOM 0 HE3 LYS A 17 12.676 4.364 5.202 1.00 61.43 H new ATOM 0 HZ1 LYS A 17 14.827 4.636 5.932 1.00 12.14 H new ATOM 0 HZ2 LYS A 17 14.572 2.992 6.276 1.00 12.14 H new ATOM 0 HZ3 LYS A 17 15.463 3.445 4.903 1.00 12.14 H new ATOM 294 N GLY A 18 11.484 0.331 0.775 1.00 14.01 N ATOM 295 CA GLY A 18 11.722 0.618 -0.642 1.00 10.25 C ATOM 296 C GLY A 18 10.683 0.013 -1.590 1.00 63.23 C ATOM 297 O GLY A 18 10.586 0.423 -2.746 1.00 21.14 O ATOM 0 H GLY A 18 10.541 0.542 1.101 1.00 14.01 H new ATOM 0 HA2 GLY A 18 11.741 1.699 -0.784 1.00 10.25 H new ATOM 0 HA3 GLY A 18 12.708 0.244 -0.916 1.00 10.25 H new ATOM 301 N LYS A 19 9.909 -0.966 -1.118 1.00 72.14 N ATOM 302 CA LYS A 19 8.876 -1.599 -1.957 1.00 41.41 C ATOM 303 C LYS A 19 7.456 -1.276 -1.466 1.00 61.21 C ATOM 304 O LYS A 19 7.265 -0.778 -0.353 1.00 72.43 O ATOM 305 CB LYS A 19 9.073 -3.124 -2.018 1.00 20.23 C ATOM 306 CG LYS A 19 10.317 -3.574 -2.788 1.00 13.54 C ATOM 307 CD LYS A 19 10.365 -2.969 -4.192 1.00 13.32 C ATOM 308 CE LYS A 19 11.400 -3.648 -5.087 1.00 21.05 C ATOM 309 NZ LYS A 19 10.984 -5.023 -5.477 1.00 3.10 N ATOM 0 H LYS A 19 9.972 -1.338 -0.170 1.00 72.14 H new ATOM 0 HA LYS A 19 8.988 -1.185 -2.959 1.00 41.41 H new ATOM 0 HB2 LYS A 19 9.131 -3.511 -1.001 1.00 20.23 H new ATOM 0 HB3 LYS A 19 8.194 -3.573 -2.480 1.00 20.23 H new ATOM 0 HG2 LYS A 19 11.211 -3.284 -2.236 1.00 13.54 H new ATOM 0 HG3 LYS A 19 10.326 -4.662 -2.860 1.00 13.54 H new ATOM 0 HD2 LYS A 19 9.381 -3.051 -4.653 1.00 13.32 H new ATOM 0 HD3 LYS A 19 10.595 -1.906 -4.118 1.00 13.32 H new ATOM 0 HE2 LYS A 19 11.553 -3.048 -5.984 1.00 21.05 H new ATOM 0 HE3 LYS A 19 12.356 -3.693 -4.566 1.00 21.05 H new ATOM 0 HZ1 LYS A 19 11.186 -5.174 -6.486 1.00 3.10 H new ATOM 0 HZ2 LYS A 19 11.511 -5.719 -4.911 1.00 3.10 H new ATOM 0 HZ3 LYS A 19 9.965 -5.139 -5.307 1.00 3.10 H new ATOM 323 N VAL A 20 6.463 -1.566 -2.311 1.00 70.14 N ATOM 324 CA VAL A 20 5.051 -1.314 -1.986 1.00 63.51 C ATOM 325 C VAL A 20 4.163 -2.519 -2.352 1.00 1.23 C ATOM 326 O VAL A 20 4.640 -3.520 -2.894 1.00 2.25 O ATOM 327 CB VAL A 20 4.514 -0.050 -2.715 1.00 63.23 C ATOM 328 CG1 VAL A 20 5.249 1.209 -2.253 1.00 34.43 C ATOM 329 CG2 VAL A 20 4.619 -0.214 -4.232 1.00 23.43 C ATOM 0 H VAL A 20 6.610 -1.978 -3.232 1.00 70.14 H new ATOM 0 HA VAL A 20 5.006 -1.151 -0.909 1.00 63.51 H new ATOM 0 HB VAL A 20 3.462 0.064 -2.455 1.00 63.23 H new ATOM 0 HG11 VAL A 20 4.852 2.076 -2.780 1.00 34.43 H new ATOM 0 HG12 VAL A 20 5.107 1.340 -1.180 1.00 34.43 H new ATOM 0 HG13 VAL A 20 6.313 1.109 -2.469 1.00 34.43 H new ATOM 0 HG21 VAL A 20 4.238 0.682 -4.722 1.00 23.43 H new ATOM 0 HG22 VAL A 20 5.662 -0.364 -4.510 1.00 23.43 H new ATOM 0 HG23 VAL A 20 4.032 -1.077 -4.546 1.00 23.43 H new ATOM 339 N SER A 21 2.869 -2.413 -2.051 1.00 35.41 N ATOM 340 CA SER A 21 1.900 -3.475 -2.366 1.00 51.32 C ATOM 341 C SER A 21 0.495 -2.891 -2.587 1.00 21.24 C ATOM 342 O SER A 21 0.310 -1.671 -2.573 1.00 30.43 O ATOM 343 CB SER A 21 1.866 -4.519 -1.237 1.00 52.40 C ATOM 344 OG SER A 21 0.973 -5.584 -1.539 1.00 74.41 O ATOM 0 H SER A 21 2.461 -1.601 -1.588 1.00 35.41 H new ATOM 0 HA SER A 21 2.218 -3.960 -3.289 1.00 51.32 H new ATOM 0 HB2 SER A 21 2.868 -4.917 -1.078 1.00 52.40 H new ATOM 0 HB3 SER A 21 1.562 -4.040 -0.306 1.00 52.40 H new ATOM 0 HG SER A 21 0.975 -6.231 -0.803 1.00 74.41 H new ATOM 350 N THR A 22 -0.496 -3.759 -2.797 1.00 43.31 N ATOM 351 CA THR A 22 -1.881 -3.314 -3.025 1.00 44.40 C ATOM 352 C THR A 22 -2.851 -3.988 -2.049 1.00 23.05 C ATOM 353 O THR A 22 -2.560 -5.057 -1.507 1.00 2.24 O ATOM 354 CB THR A 22 -2.370 -3.609 -4.468 1.00 25.04 C ATOM 355 OG1 THR A 22 -2.649 -5.009 -4.623 1.00 64.51 O ATOM 356 CG2 THR A 22 -1.336 -3.178 -5.507 1.00 62.05 C ATOM 0 H THR A 22 -0.371 -4.771 -2.815 1.00 43.31 H new ATOM 0 HA THR A 22 -1.872 -2.236 -2.865 1.00 44.40 H new ATOM 0 HB THR A 22 -3.282 -3.034 -4.630 1.00 25.04 H new ATOM 0 HG1 THR A 22 -2.724 -5.224 -5.576 1.00 64.51 H new ATOM 0 HG21 THR A 22 -1.711 -3.399 -6.506 1.00 62.05 H new ATOM 0 HG22 THR A 22 -1.154 -2.107 -5.416 1.00 62.05 H new ATOM 0 HG23 THR A 22 -0.405 -3.720 -5.340 1.00 62.05 H new ATOM 364 N TYR A 23 -4.010 -3.359 -1.832 1.00 12.33 N ATOM 365 CA TYR A 23 -5.051 -3.920 -0.953 1.00 14.32 C ATOM 366 C TYR A 23 -5.397 -5.363 -1.350 1.00 14.22 C ATOM 367 O TYR A 23 -5.632 -6.221 -0.496 1.00 61.34 O ATOM 368 CB TYR A 23 -6.326 -3.058 -1.003 1.00 13.13 C ATOM 369 CG TYR A 23 -6.086 -1.572 -0.795 1.00 1.12 C ATOM 370 CD1 TYR A 23 -5.596 -1.081 0.411 1.00 74.22 C ATOM 371 CD2 TYR A 23 -6.349 -0.659 -1.812 1.00 63.12 C ATOM 372 CE1 TYR A 23 -5.376 0.273 0.596 1.00 34.31 C ATOM 373 CE2 TYR A 23 -6.129 0.694 -1.635 1.00 72.02 C ATOM 374 CZ TYR A 23 -5.645 1.154 -0.432 1.00 41.43 C ATOM 375 OH TYR A 23 -5.421 2.502 -0.259 1.00 65.14 O ATOM 0 H TYR A 23 -4.255 -2.462 -2.251 1.00 12.33 H new ATOM 0 HA TYR A 23 -4.654 -3.921 0.062 1.00 14.32 H new ATOM 0 HB2 TYR A 23 -6.811 -3.204 -1.968 1.00 13.13 H new ATOM 0 HB3 TYR A 23 -7.020 -3.412 -0.241 1.00 13.13 H new ATOM 0 HD1 TYR A 23 -5.384 -1.768 1.217 1.00 74.22 H new ATOM 0 HD2 TYR A 23 -6.732 -1.014 -2.757 1.00 63.12 H new ATOM 0 HE1 TYR A 23 -4.996 0.638 1.539 1.00 34.31 H new ATOM 0 HE2 TYR A 23 -6.336 1.387 -2.437 1.00 72.02 H new ATOM 0 HH TYR A 23 -4.459 2.665 -0.171 1.00 65.14 H new ATOM 385 N GLY A 24 -5.414 -5.616 -2.659 1.00 51.32 N ATOM 386 CA GLY A 24 -5.711 -6.947 -3.171 1.00 14.41 C ATOM 387 C GLY A 24 -4.619 -7.963 -2.860 1.00 51.51 C ATOM 388 O GLY A 24 -4.908 -9.074 -2.413 1.00 0.14 O ATOM 0 H GLY A 24 -5.226 -4.918 -3.378 1.00 51.32 H new ATOM 0 HA2 GLY A 24 -6.653 -7.292 -2.744 1.00 14.41 H new ATOM 0 HA3 GLY A 24 -5.851 -6.892 -4.251 1.00 14.41 H new ATOM 392 N GLU A 25 -3.360 -7.581 -3.087 1.00 72.40 N ATOM 393 CA GLU A 25 -2.226 -8.471 -2.816 1.00 71.05 C ATOM 394 C GLU A 25 -2.144 -8.825 -1.328 1.00 63.03 C ATOM 395 O GLU A 25 -1.915 -9.979 -0.968 1.00 21.40 O ATOM 396 CB GLU A 25 -0.903 -7.836 -3.274 1.00 63.41 C ATOM 397 CG GLU A 25 -0.857 -7.482 -4.757 1.00 3.14 C ATOM 398 CD GLU A 25 -1.229 -8.647 -5.662 1.00 23.34 C ATOM 399 OE1 GLU A 25 -0.368 -9.513 -5.915 1.00 11.54 O ATOM 400 OE2 GLU A 25 -2.390 -8.702 -6.124 1.00 21.51 O ATOM 0 H GLU A 25 -3.100 -6.666 -3.456 1.00 72.40 H new ATOM 0 HA GLU A 25 -2.390 -9.387 -3.384 1.00 71.05 H new ATOM 0 HB2 GLU A 25 -0.726 -6.932 -2.691 1.00 63.41 H new ATOM 0 HB3 GLU A 25 -0.087 -8.524 -3.051 1.00 63.41 H new ATOM 0 HG2 GLU A 25 -1.536 -6.651 -4.947 1.00 3.14 H new ATOM 0 HG3 GLU A 25 0.146 -7.138 -5.011 1.00 3.14 H new ATOM 407 N ILE A 26 -2.335 -7.825 -0.468 1.00 71.11 N ATOM 408 CA ILE A 26 -2.309 -8.036 0.985 1.00 74.11 C ATOM 409 C ILE A 26 -3.323 -9.111 1.416 1.00 72.55 C ATOM 410 O ILE A 26 -2.953 -10.109 2.035 1.00 72.10 O ATOM 411 CB ILE A 26 -2.593 -6.717 1.753 1.00 65.13 C ATOM 412 CG1 ILE A 26 -1.520 -5.660 1.433 1.00 30.20 C ATOM 413 CG2 ILE A 26 -2.671 -6.970 3.260 1.00 33.15 C ATOM 414 CD1 ILE A 26 -0.110 -6.073 1.818 1.00 32.12 C ATOM 0 H ILE A 26 -2.510 -6.860 -0.749 1.00 71.11 H new ATOM 0 HA ILE A 26 -1.306 -8.380 1.236 1.00 74.11 H new ATOM 0 HB ILE A 26 -3.559 -6.334 1.424 1.00 65.13 H new ATOM 0 HG12 ILE A 26 -1.545 -5.444 0.365 1.00 30.20 H new ATOM 0 HG13 ILE A 26 -1.771 -4.735 1.952 1.00 30.20 H new ATOM 0 HG21 ILE A 26 -2.871 -6.031 3.777 1.00 33.15 H new ATOM 0 HG22 ILE A 26 -3.474 -7.677 3.469 1.00 33.15 H new ATOM 0 HG23 ILE A 26 -1.724 -7.382 3.609 1.00 33.15 H new ATOM 0 HD11 ILE A 26 0.586 -5.275 1.560 1.00 32.12 H new ATOM 0 HD12 ILE A 26 -0.066 -6.260 2.891 1.00 32.12 H new ATOM 0 HD13 ILE A 26 0.163 -6.981 1.280 1.00 32.12 H new ATOM 426 N ALA A 27 -4.597 -8.911 1.067 1.00 63.22 N ATOM 427 CA ALA A 27 -5.658 -9.874 1.398 1.00 42.02 C ATOM 428 C ALA A 27 -5.373 -11.259 0.797 1.00 13.15 C ATOM 429 O ALA A 27 -5.445 -12.281 1.487 1.00 11.32 O ATOM 430 CB ALA A 27 -7.004 -9.351 0.905 1.00 42.01 C ATOM 0 H ALA A 27 -4.922 -8.091 0.555 1.00 63.22 H new ATOM 0 HA ALA A 27 -5.687 -9.985 2.482 1.00 42.02 H new ATOM 0 HB1 ALA A 27 -7.786 -10.069 1.153 1.00 42.01 H new ATOM 0 HB2 ALA A 27 -7.222 -8.397 1.385 1.00 42.01 H new ATOM 0 HB3 ALA A 27 -6.967 -9.213 -0.176 1.00 42.01 H new ATOM 436 N LYS A 28 -5.029 -11.276 -0.490 1.00 11.33 N ATOM 437 CA LYS A 28 -4.733 -12.517 -1.212 1.00 1.22 C ATOM 438 C LYS A 28 -3.612 -13.324 -0.530 1.00 22.30 C ATOM 439 O LYS A 28 -3.710 -14.547 -0.386 1.00 53.44 O ATOM 440 CB LYS A 28 -4.345 -12.186 -2.661 1.00 51.34 C ATOM 441 CG LYS A 28 -3.945 -13.398 -3.500 1.00 64.20 C ATOM 442 CD LYS A 28 -3.628 -13.009 -4.944 1.00 12.53 C ATOM 443 CE LYS A 28 -2.523 -11.963 -5.022 1.00 72.14 C ATOM 444 NZ LYS A 28 -2.227 -11.568 -6.423 1.00 52.45 N ATOM 0 H LYS A 28 -4.947 -10.435 -1.061 1.00 11.33 H new ATOM 0 HA LYS A 28 -5.630 -13.137 -1.203 1.00 1.22 H new ATOM 0 HB2 LYS A 28 -5.185 -11.686 -3.144 1.00 51.34 H new ATOM 0 HB3 LYS A 28 -3.516 -11.478 -2.650 1.00 51.34 H new ATOM 0 HG2 LYS A 28 -3.074 -13.878 -3.053 1.00 64.20 H new ATOM 0 HG3 LYS A 28 -4.753 -14.130 -3.490 1.00 64.20 H new ATOM 0 HD2 LYS A 28 -3.328 -13.896 -5.501 1.00 12.53 H new ATOM 0 HD3 LYS A 28 -4.528 -12.622 -5.422 1.00 12.53 H new ATOM 0 HE2 LYS A 28 -2.817 -11.082 -4.452 1.00 72.14 H new ATOM 0 HE3 LYS A 28 -1.619 -12.356 -4.558 1.00 72.14 H new ATOM 0 HZ1 LYS A 28 -1.373 -10.974 -6.443 1.00 52.45 H new ATOM 0 HZ2 LYS A 28 -2.070 -12.420 -6.998 1.00 52.45 H new ATOM 0 HZ3 LYS A 28 -3.030 -11.033 -6.810 1.00 52.45 H new ATOM 458 N MET A 29 -2.553 -12.634 -0.107 1.00 64.42 N ATOM 459 CA MET A 29 -1.415 -13.287 0.557 1.00 74.05 C ATOM 460 C MET A 29 -1.708 -13.589 2.037 1.00 14.14 C ATOM 461 O MET A 29 -1.139 -14.518 2.613 1.00 54.12 O ATOM 462 CB MET A 29 -0.158 -12.417 0.438 1.00 34.43 C ATOM 463 CG MET A 29 0.291 -12.187 -1.000 1.00 72.33 C ATOM 464 SD MET A 29 1.801 -11.205 -1.113 1.00 42.32 S ATOM 465 CE MET A 29 1.295 -9.686 -0.309 1.00 72.21 C ATOM 0 H MET A 29 -2.455 -11.624 -0.210 1.00 64.42 H new ATOM 0 HA MET A 29 -1.246 -14.238 0.052 1.00 74.05 H new ATOM 0 HB2 MET A 29 -0.348 -11.453 0.909 1.00 34.43 H new ATOM 0 HB3 MET A 29 0.654 -12.888 0.992 1.00 34.43 H new ATOM 0 HG2 MET A 29 0.453 -13.150 -1.484 1.00 72.33 H new ATOM 0 HG3 MET A 29 -0.506 -11.684 -1.549 1.00 72.33 H new ATOM 0 HE1 MET A 29 2.122 -8.976 -0.320 1.00 72.21 H new ATOM 0 HE2 MET A 29 0.443 -9.260 -0.839 1.00 72.21 H new ATOM 0 HE3 MET A 29 1.011 -9.897 0.722 1.00 72.21 H new ATOM 475 N ALA A 30 -2.591 -12.805 2.653 1.00 74.41 N ATOM 476 CA ALA A 30 -2.989 -13.031 4.050 1.00 50.12 C ATOM 477 C ALA A 30 -3.865 -14.288 4.190 1.00 71.24 C ATOM 478 O ALA A 30 -4.040 -14.821 5.285 1.00 63.13 O ATOM 479 CB ALA A 30 -3.724 -11.811 4.590 1.00 64.51 C ATOM 0 H ALA A 30 -3.047 -12.007 2.211 1.00 74.41 H new ATOM 0 HA ALA A 30 -2.083 -13.191 4.635 1.00 50.12 H new ATOM 0 HB1 ALA A 30 -4.014 -11.990 5.625 1.00 64.51 H new ATOM 0 HB2 ALA A 30 -3.069 -10.941 4.542 1.00 64.51 H new ATOM 0 HB3 ALA A 30 -4.615 -11.628 3.990 1.00 64.51 H new ATOM 485 N GLY A 31 -4.404 -14.759 3.066 1.00 63.41 N ATOM 486 CA GLY A 31 -5.254 -15.947 3.072 1.00 21.43 C ATOM 487 C GLY A 31 -6.741 -15.622 2.958 1.00 65.35 C ATOM 488 O GLY A 31 -7.595 -16.451 3.286 1.00 60.04 O ATOM 0 H GLY A 31 -4.268 -14.339 2.146 1.00 63.41 H new ATOM 0 HA2 GLY A 31 -4.966 -16.596 2.245 1.00 21.43 H new ATOM 0 HA3 GLY A 31 -5.080 -16.506 3.992 1.00 21.43 H new ATOM 492 N TYR A 32 -7.051 -14.411 2.496 1.00 21.44 N ATOM 493 CA TYR A 32 -8.440 -13.974 2.295 1.00 13.13 C ATOM 494 C TYR A 32 -8.622 -13.333 0.907 1.00 61.11 C ATOM 495 O TYR A 32 -8.626 -12.107 0.774 1.00 53.40 O ATOM 496 CB TYR A 32 -8.854 -12.978 3.392 1.00 14.24 C ATOM 497 CG TYR A 32 -8.743 -13.538 4.798 1.00 11.33 C ATOM 498 CD1 TYR A 32 -9.787 -14.263 5.365 1.00 53.12 C ATOM 499 CD2 TYR A 32 -7.591 -13.347 5.557 1.00 63.13 C ATOM 500 CE1 TYR A 32 -9.686 -14.779 6.640 1.00 61.13 C ATOM 501 CE2 TYR A 32 -7.485 -13.863 6.835 1.00 31.31 C ATOM 502 CZ TYR A 32 -8.536 -14.577 7.370 1.00 31.42 C ATOM 503 OH TYR A 32 -8.436 -15.098 8.639 1.00 73.22 O ATOM 0 H TYR A 32 -6.355 -13.707 2.251 1.00 21.44 H new ATOM 0 HA TYR A 32 -9.080 -14.854 2.354 1.00 13.13 H new ATOM 0 HB2 TYR A 32 -8.231 -12.087 3.315 1.00 14.24 H new ATOM 0 HB3 TYR A 32 -9.883 -12.664 3.216 1.00 14.24 H new ATOM 0 HD1 TYR A 32 -10.691 -14.424 4.797 1.00 53.12 H new ATOM 0 HD2 TYR A 32 -6.767 -12.787 5.140 1.00 63.13 H new ATOM 0 HE1 TYR A 32 -10.506 -15.339 7.064 1.00 61.13 H new ATOM 0 HE2 TYR A 32 -6.585 -13.708 7.411 1.00 31.31 H new ATOM 0 HH TYR A 32 -7.563 -14.868 9.019 1.00 73.22 H new ATOM 513 N PRO A 33 -8.759 -14.154 -0.151 1.00 4.23 N ATOM 514 CA PRO A 33 -8.893 -13.651 -1.530 1.00 74.54 C ATOM 515 C PRO A 33 -10.225 -12.916 -1.764 1.00 70.11 C ATOM 516 O PRO A 33 -11.269 -13.303 -1.232 1.00 1.32 O ATOM 517 CB PRO A 33 -8.806 -14.926 -2.381 1.00 2.40 C ATOM 518 CG PRO A 33 -9.267 -16.019 -1.476 1.00 42.30 C ATOM 519 CD PRO A 33 -8.811 -15.628 -0.092 1.00 72.34 C ATOM 0 HA PRO A 33 -8.129 -12.912 -1.774 1.00 74.54 H new ATOM 0 HB2 PRO A 33 -9.436 -14.854 -3.267 1.00 2.40 H new ATOM 0 HB3 PRO A 33 -7.788 -15.102 -2.727 1.00 2.40 H new ATOM 0 HG2 PRO A 33 -10.351 -16.127 -1.514 1.00 42.30 H new ATOM 0 HG3 PRO A 33 -8.840 -16.977 -1.772 1.00 42.30 H new ATOM 0 HD2 PRO A 33 -9.506 -15.975 0.673 1.00 72.34 H new ATOM 0 HD3 PRO A 33 -7.837 -16.055 0.145 1.00 72.34 H new ATOM 527 N GLY A 34 -10.180 -11.847 -2.557 1.00 54.44 N ATOM 528 CA GLY A 34 -11.377 -11.056 -2.824 1.00 43.51 C ATOM 529 C GLY A 34 -11.613 -9.935 -1.808 1.00 12.11 C ATOM 530 O GLY A 34 -12.281 -8.947 -2.118 1.00 11.52 O ATOM 0 H GLY A 34 -9.336 -11.512 -3.021 1.00 54.44 H new ATOM 0 HA2 GLY A 34 -11.299 -10.621 -3.820 1.00 43.51 H new ATOM 0 HA3 GLY A 34 -12.244 -11.716 -2.831 1.00 43.51 H new ATOM 534 N TYR A 35 -11.048 -10.069 -0.606 1.00 10.13 N ATOM 535 CA TYR A 35 -11.242 -9.085 0.480 1.00 30.45 C ATOM 536 C TYR A 35 -10.443 -7.778 0.270 1.00 75.10 C ATOM 537 O TYR A 35 -10.122 -7.081 1.235 1.00 62.23 O ATOM 538 CB TYR A 35 -10.855 -9.720 1.828 1.00 43.14 C ATOM 539 CG TYR A 35 -11.942 -10.583 2.449 1.00 51.41 C ATOM 540 CD1 TYR A 35 -12.288 -11.816 1.905 1.00 2.24 C ATOM 541 CD2 TYR A 35 -12.619 -10.159 3.590 1.00 64.44 C ATOM 542 CE1 TYR A 35 -13.275 -12.598 2.479 1.00 41.35 C ATOM 543 CE2 TYR A 35 -13.604 -10.935 4.168 1.00 30.33 C ATOM 544 CZ TYR A 35 -13.930 -12.152 3.610 1.00 71.21 C ATOM 545 OH TYR A 35 -14.911 -12.930 4.189 1.00 44.33 O ATOM 0 H TYR A 35 -10.447 -10.853 -0.352 1.00 10.13 H new ATOM 0 HA TYR A 35 -12.297 -8.812 0.474 1.00 30.45 H new ATOM 0 HB2 TYR A 35 -9.961 -10.328 1.687 1.00 43.14 H new ATOM 0 HB3 TYR A 35 -10.593 -8.927 2.528 1.00 43.14 H new ATOM 0 HD1 TYR A 35 -11.778 -12.168 1.021 1.00 2.24 H new ATOM 0 HD2 TYR A 35 -12.369 -9.205 4.031 1.00 64.44 H new ATOM 0 HE1 TYR A 35 -13.532 -13.553 2.044 1.00 41.35 H new ATOM 0 HE2 TYR A 35 -14.117 -10.590 5.054 1.00 30.33 H new ATOM 0 HH TYR A 35 -15.270 -12.471 4.977 1.00 44.33 H new ATOM 555 N ALA A 36 -10.168 -7.425 -0.985 1.00 33.14 N ATOM 556 CA ALA A 36 -9.408 -6.208 -1.304 1.00 12.13 C ATOM 557 C ALA A 36 -10.095 -4.937 -0.771 1.00 3.33 C ATOM 558 O ALA A 36 -9.441 -4.051 -0.212 1.00 53.22 O ATOM 559 CB ALA A 36 -9.208 -6.106 -2.811 1.00 34.33 C ATOM 0 H ALA A 36 -10.459 -7.963 -1.801 1.00 33.14 H new ATOM 0 HA ALA A 36 -8.440 -6.283 -0.808 1.00 12.13 H new ATOM 0 HB1 ALA A 36 -8.644 -5.202 -3.043 1.00 34.33 H new ATOM 0 HB2 ALA A 36 -8.658 -6.978 -3.165 1.00 34.33 H new ATOM 0 HB3 ALA A 36 -10.179 -6.065 -3.305 1.00 34.33 H new ATOM 565 N ARG A 37 -11.415 -4.857 -0.943 1.00 42.35 N ATOM 566 CA ARG A 37 -12.193 -3.697 -0.488 1.00 55.45 C ATOM 567 C ARG A 37 -12.129 -3.557 1.044 1.00 75.43 C ATOM 568 O ARG A 37 -11.975 -2.455 1.578 1.00 10.41 O ATOM 569 CB ARG A 37 -13.656 -3.836 -0.942 1.00 12.24 C ATOM 570 CG ARG A 37 -14.487 -2.553 -0.830 1.00 73.35 C ATOM 571 CD ARG A 37 -14.230 -1.593 -1.995 1.00 74.44 C ATOM 572 NE ARG A 37 -12.845 -1.117 -2.042 1.00 10.41 N ATOM 573 CZ ARG A 37 -12.103 -1.101 -3.119 1.00 61.25 C ATOM 574 NH1 ARG A 37 -12.558 -1.550 -4.246 1.00 11.20 N ATOM 575 NH2 ARG A 37 -10.899 -0.636 -3.061 1.00 21.21 N ATOM 0 H ARG A 37 -11.972 -5.582 -1.395 1.00 42.35 H new ATOM 0 HA ARG A 37 -11.761 -2.800 -0.931 1.00 55.45 H new ATOM 0 HB2 ARG A 37 -13.670 -4.172 -1.979 1.00 12.24 H new ATOM 0 HB3 ARG A 37 -14.134 -4.615 -0.348 1.00 12.24 H new ATOM 0 HG2 ARG A 37 -15.546 -2.810 -0.800 1.00 73.35 H new ATOM 0 HG3 ARG A 37 -14.254 -2.052 0.109 1.00 73.35 H new ATOM 0 HD2 ARG A 37 -14.469 -2.094 -2.933 1.00 74.44 H new ATOM 0 HD3 ARG A 37 -14.901 -0.738 -1.910 1.00 74.44 H new ATOM 0 HE ARG A 37 -12.431 -0.774 -1.175 1.00 10.41 H new ATOM 0 HH11 ARG A 37 -13.506 -1.922 -4.301 1.00 11.20 H new ATOM 0 HH12 ARG A 37 -11.968 -1.531 -5.078 1.00 11.20 H new ATOM 0 HH21 ARG A 37 -10.531 -0.283 -2.178 1.00 21.21 H new ATOM 0 HH22 ARG A 37 -10.317 -0.622 -3.898 1.00 21.21 H new ATOM 589 N HIS A 38 -12.234 -4.692 1.737 1.00 50.43 N ATOM 590 CA HIS A 38 -12.198 -4.727 3.206 1.00 63.32 C ATOM 591 C HIS A 38 -10.862 -4.205 3.760 1.00 23.31 C ATOM 592 O HIS A 38 -10.839 -3.439 4.728 1.00 34.40 O ATOM 593 CB HIS A 38 -12.450 -6.154 3.710 1.00 30.22 C ATOM 594 CG HIS A 38 -13.825 -6.672 3.407 1.00 32.40 C ATOM 595 ND1 HIS A 38 -14.793 -6.742 4.377 1.00 54.41 N ATOM 596 CD2 HIS A 38 -14.340 -7.132 2.241 1.00 51.32 C ATOM 597 CE1 HIS A 38 -15.865 -7.236 3.787 1.00 2.22 C ATOM 598 NE2 HIS A 38 -15.641 -7.488 2.492 1.00 23.31 N ATOM 0 H HIS A 38 -12.346 -5.608 1.303 1.00 50.43 H new ATOM 0 HA HIS A 38 -12.988 -4.069 3.567 1.00 63.32 H new ATOM 0 HB2 HIS A 38 -11.714 -6.822 3.263 1.00 30.22 H new ATOM 0 HB3 HIS A 38 -12.292 -6.181 4.788 1.00 30.22 H new ATOM 0 HD2 HIS A 38 -13.825 -7.205 1.295 1.00 51.32 H new ATOM 0 HE1 HIS A 38 -16.806 -7.415 4.287 1.00 2.22 H new ATOM 0 HE2 HIS A 38 -16.308 -7.870 1.822 1.00 23.31 H new ATOM 606 N VAL A 39 -9.754 -4.627 3.151 1.00 42.43 N ATOM 607 CA VAL A 39 -8.423 -4.148 3.552 1.00 72.20 C ATOM 608 C VAL A 39 -8.319 -2.621 3.412 1.00 22.14 C ATOM 609 O VAL A 39 -7.862 -1.929 4.327 1.00 64.01 O ATOM 610 CB VAL A 39 -7.302 -4.813 2.713 1.00 43.34 C ATOM 611 CG1 VAL A 39 -5.922 -4.288 3.116 1.00 12.22 C ATOM 612 CG2 VAL A 39 -7.363 -6.329 2.846 1.00 4.32 C ATOM 0 H VAL A 39 -9.747 -5.296 2.381 1.00 42.43 H new ATOM 0 HA VAL A 39 -8.291 -4.424 4.598 1.00 72.20 H new ATOM 0 HB VAL A 39 -7.464 -4.551 1.667 1.00 43.34 H new ATOM 0 HG11 VAL A 39 -5.157 -4.773 2.510 1.00 12.22 H new ATOM 0 HG12 VAL A 39 -5.882 -3.210 2.957 1.00 12.22 H new ATOM 0 HG13 VAL A 39 -5.743 -4.506 4.169 1.00 12.22 H new ATOM 0 HG21 VAL A 39 -6.569 -6.779 2.250 1.00 4.32 H new ATOM 0 HG22 VAL A 39 -7.235 -6.608 3.892 1.00 4.32 H new ATOM 0 HG23 VAL A 39 -8.330 -6.687 2.491 1.00 4.32 H new ATOM 622 N GLY A 40 -8.751 -2.103 2.262 1.00 21.42 N ATOM 623 CA GLY A 40 -8.755 -0.659 2.042 1.00 20.12 C ATOM 624 C GLY A 40 -9.608 0.094 3.060 1.00 54.44 C ATOM 625 O GLY A 40 -9.243 1.186 3.503 1.00 53.40 O ATOM 0 H GLY A 40 -9.099 -2.655 1.478 1.00 21.42 H new ATOM 0 HA2 GLY A 40 -7.731 -0.287 2.087 1.00 20.12 H new ATOM 0 HA3 GLY A 40 -9.127 -0.450 1.039 1.00 20.12 H new ATOM 629 N LYS A 41 -10.743 -0.494 3.431 1.00 73.52 N ATOM 630 CA LYS A 41 -11.630 0.091 4.443 1.00 1.25 C ATOM 631 C LYS A 41 -10.900 0.263 5.789 1.00 62.34 C ATOM 632 O LYS A 41 -10.951 1.329 6.407 1.00 12.45 O ATOM 633 CB LYS A 41 -12.873 -0.795 4.626 1.00 14.44 C ATOM 634 CG LYS A 41 -13.915 -0.226 5.588 1.00 63.25 C ATOM 635 CD LYS A 41 -14.487 1.099 5.087 1.00 41.12 C ATOM 636 CE LYS A 41 -15.575 1.641 6.009 1.00 42.53 C ATOM 637 NZ LYS A 41 -15.057 1.962 7.365 1.00 35.11 N ATOM 0 H LYS A 41 -11.074 -1.379 3.046 1.00 73.52 H new ATOM 0 HA LYS A 41 -11.938 1.078 4.097 1.00 1.25 H new ATOM 0 HB2 LYS A 41 -13.340 -0.951 3.654 1.00 14.44 H new ATOM 0 HB3 LYS A 41 -12.557 -1.773 4.988 1.00 14.44 H new ATOM 0 HG2 LYS A 41 -14.724 -0.946 5.715 1.00 63.25 H new ATOM 0 HG3 LYS A 41 -13.462 -0.079 6.569 1.00 63.25 H new ATOM 0 HD2 LYS A 41 -13.684 1.832 5.005 1.00 41.12 H new ATOM 0 HD3 LYS A 41 -14.896 0.961 4.086 1.00 41.12 H new ATOM 0 HE2 LYS A 41 -16.009 2.538 5.567 1.00 42.53 H new ATOM 0 HE3 LYS A 41 -16.376 0.907 6.093 1.00 42.53 H new ATOM 0 HZ1 LYS A 41 -15.805 2.420 7.923 1.00 35.11 H new ATOM 0 HZ2 LYS A 41 -14.759 1.086 7.839 1.00 35.11 H new ATOM 0 HZ3 LYS A 41 -14.244 2.605 7.283 1.00 35.11 H new ATOM 651 N ALA A 42 -10.214 -0.791 6.228 1.00 71.23 N ATOM 652 CA ALA A 42 -9.476 -0.767 7.496 1.00 22.13 C ATOM 653 C ALA A 42 -8.317 0.246 7.464 1.00 2.21 C ATOM 654 O ALA A 42 -8.185 1.086 8.355 1.00 21.20 O ATOM 655 CB ALA A 42 -8.953 -2.163 7.821 1.00 23.54 C ATOM 0 H ALA A 42 -10.152 -1.676 5.725 1.00 71.23 H new ATOM 0 HA ALA A 42 -10.166 -0.449 8.278 1.00 22.13 H new ATOM 0 HB1 ALA A 42 -8.406 -2.136 8.764 1.00 23.54 H new ATOM 0 HB2 ALA A 42 -9.791 -2.855 7.907 1.00 23.54 H new ATOM 0 HB3 ALA A 42 -8.287 -2.497 7.025 1.00 23.54 H new ATOM 661 N LEU A 43 -7.489 0.169 6.422 1.00 34.10 N ATOM 662 CA LEU A 43 -6.331 1.066 6.283 1.00 31.01 C ATOM 663 C LEU A 43 -6.756 2.539 6.147 1.00 33.43 C ATOM 664 O LEU A 43 -6.045 3.441 6.590 1.00 54.42 O ATOM 665 CB LEU A 43 -5.478 0.649 5.077 1.00 1.40 C ATOM 666 CG LEU A 43 -4.867 -0.757 5.169 1.00 13.44 C ATOM 667 CD1 LEU A 43 -4.040 -1.071 3.923 1.00 73.13 C ATOM 668 CD2 LEU A 43 -4.022 -0.896 6.435 1.00 25.14 C ATOM 0 H LEU A 43 -7.594 -0.502 5.661 1.00 34.10 H new ATOM 0 HA LEU A 43 -5.738 0.978 7.194 1.00 31.01 H new ATOM 0 HB2 LEU A 43 -6.094 0.703 4.179 1.00 1.40 H new ATOM 0 HB3 LEU A 43 -4.672 1.372 4.954 1.00 1.40 H new ATOM 0 HG LEU A 43 -5.681 -1.480 5.224 1.00 13.44 H new ATOM 0 HD11 LEU A 43 -3.617 -2.072 4.010 1.00 73.13 H new ATOM 0 HD12 LEU A 43 -4.678 -1.022 3.041 1.00 73.13 H new ATOM 0 HD13 LEU A 43 -3.234 -0.343 3.828 1.00 73.13 H new ATOM 0 HD21 LEU A 43 -3.598 -1.899 6.481 1.00 25.14 H new ATOM 0 HD22 LEU A 43 -3.216 -0.162 6.417 1.00 25.14 H new ATOM 0 HD23 LEU A 43 -4.648 -0.726 7.311 1.00 25.14 H new ATOM 680 N GLY A 44 -7.924 2.773 5.548 1.00 43.11 N ATOM 681 CA GLY A 44 -8.434 4.134 5.378 1.00 35.25 C ATOM 682 C GLY A 44 -8.646 4.879 6.699 1.00 44.32 C ATOM 683 O GLY A 44 -8.753 6.110 6.716 1.00 40.44 O ATOM 0 H GLY A 44 -8.531 2.043 5.175 1.00 43.11 H new ATOM 0 HA2 GLY A 44 -7.737 4.700 4.759 1.00 35.25 H new ATOM 0 HA3 GLY A 44 -9.380 4.094 4.837 1.00 35.25 H new ATOM 687 N ASN A 45 -8.713 4.137 7.803 1.00 21.42 N ATOM 688 CA ASN A 45 -8.887 4.727 9.136 1.00 45.13 C ATOM 689 C ASN A 45 -7.556 5.255 9.700 1.00 41.24 C ATOM 690 O ASN A 45 -7.524 6.270 10.406 1.00 12.22 O ATOM 691 CB ASN A 45 -9.476 3.679 10.094 1.00 63.31 C ATOM 692 CG ASN A 45 -9.706 4.225 11.492 1.00 10.42 C ATOM 693 OD1 ASN A 45 -8.826 4.170 12.349 1.00 3.10 O ATOM 694 ND2 ASN A 45 -10.887 4.753 11.742 1.00 61.53 N ATOM 0 H ASN A 45 -8.649 3.119 7.804 1.00 21.42 H new ATOM 0 HA ASN A 45 -9.571 5.571 9.043 1.00 45.13 H new ATOM 0 HB2 ASN A 45 -10.421 3.315 9.691 1.00 63.31 H new ATOM 0 HB3 ASN A 45 -8.802 2.824 10.149 1.00 63.31 H new ATOM 0 HD21 ASN A 45 -11.091 5.130 12.667 1.00 61.53 H new ATOM 0 HD22 ASN A 45 -11.597 4.784 11.010 1.00 61.53 H new ATOM 701 N LEU A 46 -6.461 4.572 9.368 1.00 43.21 N ATOM 702 CA LEU A 46 -5.146 4.861 9.955 1.00 13.23 C ATOM 703 C LEU A 46 -4.687 6.308 9.687 1.00 62.42 C ATOM 704 O LEU A 46 -4.840 6.830 8.580 1.00 71.32 O ATOM 705 CB LEU A 46 -4.106 3.864 9.431 1.00 61.40 C ATOM 706 CG LEU A 46 -4.406 2.385 9.731 1.00 63.53 C ATOM 707 CD1 LEU A 46 -3.301 1.487 9.186 1.00 62.13 C ATOM 708 CD2 LEU A 46 -4.593 2.162 11.231 1.00 62.12 C ATOM 0 H LEU A 46 -6.456 3.809 8.691 1.00 43.21 H new ATOM 0 HA LEU A 46 -5.241 4.753 11.035 1.00 13.23 H new ATOM 0 HB2 LEU A 46 -4.019 3.989 8.352 1.00 61.40 H new ATOM 0 HB3 LEU A 46 -3.136 4.116 9.861 1.00 61.40 H new ATOM 0 HG LEU A 46 -5.337 2.121 9.230 1.00 63.53 H new ATOM 0 HD11 LEU A 46 -3.535 0.446 9.410 1.00 62.13 H new ATOM 0 HD12 LEU A 46 -3.225 1.618 8.107 1.00 62.13 H new ATOM 0 HD13 LEU A 46 -2.352 1.754 9.651 1.00 62.13 H new ATOM 0 HD21 LEU A 46 -4.804 1.109 11.419 1.00 62.12 H new ATOM 0 HD22 LEU A 46 -3.683 2.449 11.758 1.00 62.12 H new ATOM 0 HD23 LEU A 46 -5.426 2.768 11.588 1.00 62.12 H new ATOM 720 N PRO A 47 -4.121 6.975 10.715 1.00 42.01 N ATOM 721 CA PRO A 47 -3.716 8.383 10.639 1.00 51.34 C ATOM 722 C PRO A 47 -2.246 8.591 10.224 1.00 64.14 C ATOM 723 O PRO A 47 -1.599 7.692 9.683 1.00 12.14 O ATOM 724 CB PRO A 47 -3.930 8.826 12.085 1.00 1.21 C ATOM 725 CG PRO A 47 -3.516 7.636 12.893 1.00 34.14 C ATOM 726 CD PRO A 47 -3.834 6.416 12.052 1.00 3.44 C ATOM 0 HA PRO A 47 -4.273 8.937 9.883 1.00 51.34 H new ATOM 0 HB2 PRO A 47 -3.328 9.702 12.327 1.00 1.21 H new ATOM 0 HB3 PRO A 47 -4.970 9.093 12.271 1.00 1.21 H new ATOM 0 HG2 PRO A 47 -2.453 7.678 13.130 1.00 34.14 H new ATOM 0 HG3 PRO A 47 -4.053 7.605 13.841 1.00 34.14 H new ATOM 0 HD2 PRO A 47 -2.995 5.720 12.023 1.00 3.44 H new ATOM 0 HD3 PRO A 47 -4.689 5.868 12.449 1.00 3.44 H new ATOM 734 N GLU A 48 -1.726 9.790 10.496 1.00 34.13 N ATOM 735 CA GLU A 48 -0.350 10.150 10.145 1.00 51.13 C ATOM 736 C GLU A 48 0.644 9.684 11.224 1.00 2.11 C ATOM 737 O GLU A 48 0.460 9.950 12.415 1.00 72.53 O ATOM 738 CB GLU A 48 -0.249 11.673 9.945 1.00 22.02 C ATOM 739 CG GLU A 48 -1.186 12.208 8.863 1.00 31.50 C ATOM 740 CD GLU A 48 -1.138 13.724 8.724 1.00 62.14 C ATOM 741 OE1 GLU A 48 -0.305 14.233 7.946 1.00 71.32 O ATOM 742 OE2 GLU A 48 -1.944 14.414 9.386 1.00 71.03 O ATOM 0 H GLU A 48 -2.243 10.535 10.963 1.00 34.13 H new ATOM 0 HA GLU A 48 -0.089 9.644 9.215 1.00 51.13 H new ATOM 0 HB2 GLU A 48 -0.474 12.171 10.888 1.00 22.02 H new ATOM 0 HB3 GLU A 48 0.778 11.930 9.685 1.00 22.02 H new ATOM 0 HG2 GLU A 48 -0.924 11.754 7.907 1.00 31.50 H new ATOM 0 HG3 GLU A 48 -2.207 11.903 9.092 1.00 31.50 H new ATOM 749 N GLY A 49 1.698 8.988 10.799 1.00 73.12 N ATOM 750 CA GLY A 49 2.707 8.492 11.733 1.00 44.20 C ATOM 751 C GLY A 49 2.204 7.364 12.633 1.00 25.50 C ATOM 752 O GLY A 49 2.341 7.430 13.857 1.00 3.21 O ATOM 0 H GLY A 49 1.874 8.756 9.821 1.00 73.12 H new ATOM 0 HA2 GLY A 49 3.570 8.138 11.169 1.00 44.20 H new ATOM 0 HA3 GLY A 49 3.050 9.318 12.356 1.00 44.20 H new ATOM 756 N SER A 50 1.612 6.336 12.032 1.00 44.24 N ATOM 757 CA SER A 50 1.118 5.169 12.778 1.00 4.22 C ATOM 758 C SER A 50 2.137 4.018 12.768 1.00 13.43 C ATOM 759 O SER A 50 3.098 4.032 11.996 1.00 30.32 O ATOM 760 CB SER A 50 -0.206 4.684 12.172 1.00 60.10 C ATOM 761 OG SER A 50 -0.064 4.416 10.784 1.00 11.14 O ATOM 0 H SER A 50 1.459 6.282 11.025 1.00 44.24 H new ATOM 0 HA SER A 50 0.963 5.478 13.812 1.00 4.22 H new ATOM 0 HB2 SER A 50 -0.537 3.783 12.688 1.00 60.10 H new ATOM 0 HB3 SER A 50 -0.977 5.439 12.323 1.00 60.10 H new ATOM 0 HG SER A 50 0.114 3.461 10.652 1.00 11.14 H new ATOM 767 N LYS A 51 1.928 3.027 13.640 1.00 42.12 N ATOM 768 CA LYS A 51 2.761 1.814 13.656 1.00 31.44 C ATOM 769 C LYS A 51 2.659 1.055 12.326 1.00 34.30 C ATOM 770 O LYS A 51 3.662 0.846 11.635 1.00 34.44 O ATOM 771 CB LYS A 51 2.348 0.894 14.817 1.00 34.22 C ATOM 772 CG LYS A 51 2.778 1.399 16.189 1.00 74.40 C ATOM 773 CD LYS A 51 4.296 1.361 16.349 1.00 24.11 C ATOM 774 CE LYS A 51 4.737 1.856 17.721 1.00 51.34 C ATOM 775 NZ LYS A 51 6.203 1.713 17.921 1.00 31.34 N ATOM 0 H LYS A 51 1.191 3.038 14.345 1.00 42.12 H new ATOM 0 HA LYS A 51 3.797 2.123 13.797 1.00 31.44 H new ATOM 0 HB2 LYS A 51 1.264 0.777 14.807 1.00 34.22 H new ATOM 0 HB3 LYS A 51 2.777 -0.095 14.654 1.00 34.22 H new ATOM 0 HG2 LYS A 51 2.422 2.419 16.330 1.00 74.40 H new ATOM 0 HG3 LYS A 51 2.314 0.789 16.964 1.00 74.40 H new ATOM 0 HD2 LYS A 51 4.651 0.341 16.200 1.00 24.11 H new ATOM 0 HD3 LYS A 51 4.758 1.975 15.576 1.00 24.11 H new ATOM 0 HE2 LYS A 51 4.456 2.903 17.836 1.00 51.34 H new ATOM 0 HE3 LYS A 51 4.210 1.298 18.494 1.00 51.34 H new ATOM 0 HZ1 LYS A 51 6.460 2.061 18.867 1.00 31.34 H new ATOM 0 HZ2 LYS A 51 6.469 0.711 17.837 1.00 31.34 H new ATOM 0 HZ3 LYS A 51 6.707 2.266 17.199 1.00 31.34 H new ATOM 789 N LEU A 52 1.443 0.643 11.976 1.00 11.45 N ATOM 790 CA LEU A 52 1.197 -0.063 10.716 1.00 62.22 C ATOM 791 C LEU A 52 1.323 0.895 9.515 1.00 72.30 C ATOM 792 O LEU A 52 0.559 1.861 9.400 1.00 62.21 O ATOM 793 CB LEU A 52 -0.201 -0.694 10.733 1.00 53.13 C ATOM 794 CG LEU A 52 -0.495 -1.661 9.574 1.00 34.40 C ATOM 795 CD1 LEU A 52 0.352 -2.924 9.700 1.00 22.30 C ATOM 796 CD2 LEU A 52 -1.979 -2.004 9.518 1.00 22.21 C ATOM 0 H LEU A 52 0.610 0.785 12.547 1.00 11.45 H new ATOM 0 HA LEU A 52 1.947 -0.847 10.612 1.00 62.22 H new ATOM 0 HB2 LEU A 52 -0.329 -1.229 11.674 1.00 53.13 H new ATOM 0 HB3 LEU A 52 -0.943 0.104 10.717 1.00 53.13 H new ATOM 0 HG LEU A 52 -0.229 -1.166 8.640 1.00 34.40 H new ATOM 0 HD11 LEU A 52 0.129 -3.596 8.871 1.00 22.30 H new ATOM 0 HD12 LEU A 52 1.409 -2.657 9.677 1.00 22.30 H new ATOM 0 HD13 LEU A 52 0.124 -3.423 10.642 1.00 22.30 H new ATOM 0 HD21 LEU A 52 -2.163 -2.689 8.691 1.00 22.21 H new ATOM 0 HD22 LEU A 52 -2.279 -2.476 10.454 1.00 22.21 H new ATOM 0 HD23 LEU A 52 -2.558 -1.092 9.370 1.00 22.21 H new ATOM 808 N PRO A 53 2.286 0.653 8.601 1.00 2.54 N ATOM 809 CA PRO A 53 2.494 1.530 7.443 1.00 30.35 C ATOM 810 C PRO A 53 1.471 1.291 6.317 1.00 21.24 C ATOM 811 O PRO A 53 1.645 0.415 5.470 1.00 51.44 O ATOM 812 CB PRO A 53 3.912 1.162 6.987 1.00 14.42 C ATOM 813 CG PRO A 53 4.076 -0.271 7.381 1.00 40.20 C ATOM 814 CD PRO A 53 3.242 -0.474 8.626 1.00 64.03 C ATOM 0 HA PRO A 53 2.369 2.583 7.697 1.00 30.35 H new ATOM 0 HB2 PRO A 53 4.029 1.293 5.911 1.00 14.42 H new ATOM 0 HB3 PRO A 53 4.659 1.793 7.468 1.00 14.42 H new ATOM 0 HG2 PRO A 53 3.745 -0.933 6.581 1.00 40.20 H new ATOM 0 HG3 PRO A 53 5.123 -0.502 7.574 1.00 40.20 H new ATOM 0 HD2 PRO A 53 2.727 -1.435 8.610 1.00 64.03 H new ATOM 0 HD3 PRO A 53 3.857 -0.457 9.526 1.00 64.03 H new ATOM 822 N TRP A 54 0.412 2.096 6.307 1.00 23.41 N ATOM 823 CA TRP A 54 -0.632 2.009 5.276 1.00 4.14 C ATOM 824 C TRP A 54 -0.214 2.726 3.984 1.00 74.04 C ATOM 825 O TRP A 54 -0.658 2.370 2.891 1.00 51.01 O ATOM 826 CB TRP A 54 -1.941 2.610 5.805 1.00 43.32 C ATOM 827 CG TRP A 54 -1.806 4.036 6.270 1.00 63.51 C ATOM 828 CD1 TRP A 54 -1.371 4.463 7.493 1.00 41.11 C ATOM 829 CD2 TRP A 54 -2.107 5.220 5.518 1.00 11.01 C ATOM 830 NE1 TRP A 54 -1.389 5.833 7.548 1.00 31.34 N ATOM 831 CE2 TRP A 54 -1.837 6.321 6.350 1.00 33.04 C ATOM 832 CE3 TRP A 54 -2.582 5.454 4.224 1.00 62.24 C ATOM 833 CZ2 TRP A 54 -2.023 7.636 5.933 1.00 43.41 C ATOM 834 CZ3 TRP A 54 -2.766 6.760 3.810 1.00 63.14 C ATOM 835 CH2 TRP A 54 -2.489 7.836 4.663 1.00 34.13 C ATOM 0 H TRP A 54 0.249 2.823 7.004 1.00 23.41 H new ATOM 0 HA TRP A 54 -0.781 0.955 5.041 1.00 4.14 H new ATOM 0 HB2 TRP A 54 -2.696 2.563 5.020 1.00 43.32 H new ATOM 0 HB3 TRP A 54 -2.303 2.000 6.632 1.00 43.32 H new ATOM 0 HD1 TRP A 54 -1.058 3.816 8.299 1.00 41.11 H new ATOM 0 HE1 TRP A 54 -1.113 6.397 8.352 1.00 31.34 H new ATOM 0 HE3 TRP A 54 -2.801 4.630 3.561 1.00 62.24 H new ATOM 0 HZ2 TRP A 54 -1.807 8.467 6.588 1.00 43.41 H new ATOM 0 HZ3 TRP A 54 -3.130 6.954 2.812 1.00 63.14 H new ATOM 0 HH2 TRP A 54 -2.647 8.845 4.310 1.00 34.13 H new ATOM 846 N PHE A 55 0.657 3.725 4.117 1.00 22.42 N ATOM 847 CA PHE A 55 1.089 4.547 2.977 1.00 24.32 C ATOM 848 C PHE A 55 1.843 3.738 1.900 1.00 13.24 C ATOM 849 O PHE A 55 2.124 4.250 0.817 1.00 53.54 O ATOM 850 CB PHE A 55 1.950 5.728 3.465 1.00 44.31 C ATOM 851 CG PHE A 55 3.136 5.333 4.314 1.00 52.55 C ATOM 852 CD1 PHE A 55 4.361 5.037 3.732 1.00 71.44 C ATOM 853 CD2 PHE A 55 3.028 5.271 5.697 1.00 52.12 C ATOM 854 CE1 PHE A 55 5.449 4.687 4.508 1.00 14.05 C ATOM 855 CE2 PHE A 55 4.115 4.920 6.477 1.00 74.32 C ATOM 856 CZ PHE A 55 5.326 4.628 5.882 1.00 12.14 C ATOM 0 H PHE A 55 1.082 3.989 5.006 1.00 22.42 H new ATOM 0 HA PHE A 55 0.184 4.927 2.503 1.00 24.32 H new ATOM 0 HB2 PHE A 55 2.309 6.282 2.597 1.00 44.31 H new ATOM 0 HB3 PHE A 55 1.320 6.408 4.038 1.00 44.31 H new ATOM 0 HD1 PHE A 55 4.465 5.081 2.658 1.00 71.44 H new ATOM 0 HD2 PHE A 55 2.084 5.500 6.169 1.00 52.12 H new ATOM 0 HE1 PHE A 55 6.395 4.460 4.040 1.00 14.05 H new ATOM 0 HE2 PHE A 55 4.016 4.874 7.552 1.00 74.32 H new ATOM 0 HZ PHE A 55 6.175 4.354 6.490 1.00 12.14 H new ATOM 866 N ARG A 56 2.166 2.480 2.192 1.00 22.25 N ATOM 867 CA ARG A 56 2.848 1.616 1.219 1.00 51.45 C ATOM 868 C ARG A 56 1.869 0.635 0.547 1.00 54.51 C ATOM 869 O ARG A 56 2.284 -0.276 -0.170 1.00 62.31 O ATOM 870 CB ARG A 56 3.994 0.843 1.898 1.00 21.10 C ATOM 871 CG ARG A 56 5.066 1.747 2.503 1.00 4.12 C ATOM 872 CD ARG A 56 6.301 0.970 2.959 1.00 42.12 C ATOM 873 NE ARG A 56 7.313 1.851 3.540 1.00 14.03 N ATOM 874 CZ ARG A 56 8.116 2.607 2.839 1.00 73.35 C ATOM 875 NH1 ARG A 56 8.133 2.542 1.547 1.00 12.32 N ATOM 876 NH2 ARG A 56 8.930 3.412 3.440 1.00 15.20 N ATOM 0 H ARG A 56 1.970 2.034 3.088 1.00 22.25 H new ATOM 0 HA ARG A 56 3.263 2.258 0.442 1.00 51.45 H new ATOM 0 HB2 ARG A 56 3.579 0.210 2.682 1.00 21.10 H new ATOM 0 HB3 ARG A 56 4.459 0.182 1.167 1.00 21.10 H new ATOM 0 HG2 ARG A 56 5.363 2.495 1.768 1.00 4.12 H new ATOM 0 HG3 ARG A 56 4.645 2.285 3.353 1.00 4.12 H new ATOM 0 HD2 ARG A 56 6.008 0.220 3.693 1.00 42.12 H new ATOM 0 HD3 ARG A 56 6.728 0.436 2.110 1.00 42.12 H new ATOM 0 HE ARG A 56 7.398 1.877 4.556 1.00 14.03 H new ATOM 0 HH11 ARG A 56 7.514 1.894 1.061 1.00 12.32 H new ATOM 0 HH12 ARG A 56 8.766 3.139 1.015 1.00 12.32 H new ATOM 0 HH21 ARG A 56 8.944 3.456 4.459 1.00 15.20 H new ATOM 0 HH22 ARG A 56 9.558 4.003 2.895 1.00 15.20 H new ATOM 890 N VAL A 57 0.569 0.834 0.772 1.00 2.21 N ATOM 891 CA VAL A 57 -0.460 -0.041 0.199 1.00 13.04 C ATOM 892 C VAL A 57 -1.464 0.755 -0.660 1.00 53.41 C ATOM 893 O VAL A 57 -2.256 1.548 -0.146 1.00 13.43 O ATOM 894 CB VAL A 57 -1.224 -0.805 1.312 1.00 13.22 C ATOM 895 CG1 VAL A 57 -2.191 -1.820 0.711 1.00 41.13 C ATOM 896 CG2 VAL A 57 -0.248 -1.489 2.272 1.00 52.33 C ATOM 0 H VAL A 57 0.202 1.593 1.347 1.00 2.21 H new ATOM 0 HA VAL A 57 0.053 -0.760 -0.440 1.00 13.04 H new ATOM 0 HB VAL A 57 -1.806 -0.079 1.880 1.00 13.22 H new ATOM 0 HG11 VAL A 57 -2.714 -2.342 1.512 1.00 41.13 H new ATOM 0 HG12 VAL A 57 -2.915 -1.304 0.081 1.00 41.13 H new ATOM 0 HG13 VAL A 57 -1.636 -2.540 0.110 1.00 41.13 H new ATOM 0 HG21 VAL A 57 -0.807 -2.018 3.044 1.00 52.33 H new ATOM 0 HG22 VAL A 57 0.369 -2.198 1.720 1.00 52.33 H new ATOM 0 HG23 VAL A 57 0.391 -0.738 2.737 1.00 52.33 H new ATOM 906 N ILE A 58 -1.421 0.540 -1.975 1.00 41.03 N ATOM 907 CA ILE A 58 -2.308 1.238 -2.922 1.00 72.52 C ATOM 908 C ILE A 58 -3.320 0.271 -3.569 1.00 34.13 C ATOM 909 O ILE A 58 -3.460 -0.870 -3.135 1.00 51.04 O ATOM 910 CB ILE A 58 -1.483 1.938 -4.032 1.00 73.22 C ATOM 911 CG1 ILE A 58 -0.650 0.913 -4.821 1.00 63.41 C ATOM 912 CG2 ILE A 58 -0.586 3.016 -3.429 1.00 50.53 C ATOM 913 CD1 ILE A 58 0.166 1.522 -5.944 1.00 0.42 C ATOM 0 H ILE A 58 -0.778 -0.117 -2.417 1.00 41.03 H new ATOM 0 HA ILE A 58 -2.859 1.987 -2.353 1.00 72.52 H new ATOM 0 HB ILE A 58 -2.175 2.415 -4.726 1.00 73.22 H new ATOM 0 HG12 ILE A 58 0.022 0.399 -4.134 1.00 63.41 H new ATOM 0 HG13 ILE A 58 -1.318 0.159 -5.237 1.00 63.41 H new ATOM 0 HG21 ILE A 58 -0.013 3.498 -4.221 1.00 50.53 H new ATOM 0 HG22 ILE A 58 -1.201 3.760 -2.922 1.00 50.53 H new ATOM 0 HG23 ILE A 58 0.098 2.561 -2.712 1.00 50.53 H new ATOM 0 HD11 ILE A 58 0.726 0.738 -6.454 1.00 0.42 H new ATOM 0 HD12 ILE A 58 -0.501 2.012 -6.654 1.00 0.42 H new ATOM 0 HD13 ILE A 58 0.860 2.255 -5.533 1.00 0.42 H new ATOM 925 N ASN A 59 -4.048 0.730 -4.590 1.00 33.44 N ATOM 926 CA ASN A 59 -4.974 -0.150 -5.323 1.00 30.24 C ATOM 927 C ASN A 59 -4.300 -0.762 -6.566 1.00 54.40 C ATOM 928 O ASN A 59 -3.376 -0.180 -7.135 1.00 44.04 O ATOM 929 CB ASN A 59 -6.264 0.599 -5.695 1.00 43.01 C ATOM 930 CG ASN A 59 -6.005 1.956 -6.320 1.00 72.51 C ATOM 931 OD1 ASN A 59 -5.881 2.953 -5.625 1.00 33.11 O ATOM 932 ND2 ASN A 59 -5.934 2.008 -7.633 1.00 33.24 N ATOM 0 H ASN A 59 -4.019 1.692 -4.928 1.00 33.44 H new ATOM 0 HA ASN A 59 -5.246 -0.974 -4.663 1.00 30.24 H new ATOM 0 HB2 ASN A 59 -6.843 -0.010 -6.390 1.00 43.01 H new ATOM 0 HB3 ASN A 59 -6.873 0.728 -4.800 1.00 43.01 H new ATOM 0 HD21 ASN A 59 -5.771 2.900 -8.100 1.00 33.24 H new ATOM 0 HD22 ASN A 59 -6.042 1.156 -8.184 1.00 33.24 H new ATOM 939 N SER A 60 -4.783 -1.934 -6.989 1.00 34.43 N ATOM 940 CA SER A 60 -4.136 -2.736 -8.051 1.00 71.01 C ATOM 941 C SER A 60 -3.909 -1.956 -9.358 1.00 20.35 C ATOM 942 O SER A 60 -3.012 -2.288 -10.134 1.00 40.32 O ATOM 943 CB SER A 60 -4.965 -3.992 -8.340 1.00 33.42 C ATOM 944 OG SER A 60 -5.125 -4.779 -7.169 1.00 4.43 O ATOM 0 H SER A 60 -5.630 -2.359 -6.611 1.00 34.43 H new ATOM 0 HA SER A 60 -3.151 -3.008 -7.671 1.00 71.01 H new ATOM 0 HB2 SER A 60 -5.943 -3.705 -8.726 1.00 33.42 H new ATOM 0 HB3 SER A 60 -4.477 -4.583 -9.115 1.00 33.42 H new ATOM 0 HG SER A 60 -5.659 -5.574 -7.379 1.00 4.43 H new ATOM 950 N GLN A 61 -4.719 -0.928 -9.604 1.00 13.22 N ATOM 951 CA GLN A 61 -4.546 -0.062 -10.787 1.00 63.43 C ATOM 952 C GLN A 61 -3.134 0.556 -10.857 1.00 11.32 C ATOM 953 O GLN A 61 -2.697 1.000 -11.922 1.00 15.52 O ATOM 954 CB GLN A 61 -5.599 1.058 -10.783 1.00 22.42 C ATOM 955 CG GLN A 61 -7.019 0.577 -11.059 1.00 43.44 C ATOM 956 CD GLN A 61 -7.201 0.059 -12.478 1.00 4.20 C ATOM 957 OE1 GLN A 61 -7.532 0.811 -13.388 1.00 1.31 O ATOM 958 NE2 GLN A 61 -6.983 -1.223 -12.684 1.00 42.23 N ATOM 0 H GLN A 61 -5.503 -0.668 -9.006 1.00 13.22 H new ATOM 0 HA GLN A 61 -4.677 -0.691 -11.667 1.00 63.43 H new ATOM 0 HB2 GLN A 61 -5.578 1.559 -9.815 1.00 22.42 H new ATOM 0 HB3 GLN A 61 -5.326 1.801 -11.532 1.00 22.42 H new ATOM 0 HG2 GLN A 61 -7.273 -0.214 -10.353 1.00 43.44 H new ATOM 0 HG3 GLN A 61 -7.716 1.397 -10.884 1.00 43.44 H new ATOM 0 HE21 GLN A 61 -6.709 -1.825 -11.908 1.00 42.23 H new ATOM 0 HE22 GLN A 61 -7.088 -1.614 -13.620 1.00 42.23 H new ATOM 967 N GLY A 62 -2.430 0.575 -9.727 1.00 32.52 N ATOM 968 CA GLY A 62 -1.095 1.162 -9.672 1.00 0.23 C ATOM 969 C GLY A 62 -1.120 2.635 -9.290 1.00 32.23 C ATOM 970 O GLY A 62 -0.273 3.414 -9.724 1.00 4.44 O ATOM 0 H GLY A 62 -2.761 0.192 -8.841 1.00 32.52 H new ATOM 0 HA2 GLY A 62 -0.490 0.613 -8.950 1.00 0.23 H new ATOM 0 HA3 GLY A 62 -0.612 1.050 -10.643 1.00 0.23 H new ATOM 974 N LYS A 63 -2.085 3.009 -8.455 1.00 21.44 N ATOM 975 CA LYS A 63 -2.282 4.408 -8.068 1.00 42.03 C ATOM 976 C LYS A 63 -2.724 4.529 -6.602 1.00 31.52 C ATOM 977 O LYS A 63 -3.270 3.587 -6.026 1.00 42.11 O ATOM 978 CB LYS A 63 -3.332 5.054 -8.990 1.00 20.35 C ATOM 979 CG LYS A 63 -3.665 6.507 -8.645 1.00 61.33 C ATOM 980 CD LYS A 63 -4.739 7.082 -9.565 1.00 22.44 C ATOM 981 CE LYS A 63 -4.250 7.215 -11.002 1.00 2.22 C ATOM 982 NZ LYS A 63 -5.333 7.674 -11.910 1.00 72.10 N ATOM 0 H LYS A 63 -2.748 2.361 -8.030 1.00 21.44 H new ATOM 0 HA LYS A 63 -1.330 4.928 -8.172 1.00 42.03 H new ATOM 0 HB2 LYS A 63 -2.972 5.010 -10.018 1.00 20.35 H new ATOM 0 HB3 LYS A 63 -4.248 4.464 -8.948 1.00 20.35 H new ATOM 0 HG2 LYS A 63 -4.004 6.565 -7.611 1.00 61.33 H new ATOM 0 HG3 LYS A 63 -2.762 7.113 -8.719 1.00 61.33 H new ATOM 0 HD2 LYS A 63 -5.619 6.440 -9.540 1.00 22.44 H new ATOM 0 HD3 LYS A 63 -5.047 8.060 -9.195 1.00 22.44 H new ATOM 0 HE2 LYS A 63 -3.420 7.920 -11.040 1.00 2.22 H new ATOM 0 HE3 LYS A 63 -3.868 6.254 -11.347 1.00 2.22 H new ATOM 0 HZ1 LYS A 63 -4.963 7.753 -12.879 1.00 72.10 H new ATOM 0 HZ2 LYS A 63 -6.115 6.988 -11.892 1.00 72.10 H new ATOM 0 HZ3 LYS A 63 -5.680 8.603 -11.595 1.00 72.10 H new ATOM 996 N ILE A 64 -2.463 5.689 -6.002 1.00 53.20 N ATOM 997 CA ILE A 64 -2.931 5.994 -4.650 1.00 40.44 C ATOM 998 C ILE A 64 -4.452 6.218 -4.644 1.00 32.33 C ATOM 999 O ILE A 64 -4.971 7.031 -5.412 1.00 4.24 O ATOM 1000 CB ILE A 64 -2.220 7.254 -4.089 1.00 4.04 C ATOM 1001 CG1 ILE A 64 -0.695 7.044 -4.065 1.00 23.04 C ATOM 1002 CG2 ILE A 64 -2.744 7.598 -2.693 1.00 61.11 C ATOM 1003 CD1 ILE A 64 0.085 8.247 -3.573 1.00 30.24 C ATOM 0 H ILE A 64 -1.925 6.440 -6.435 1.00 53.20 H new ATOM 0 HA ILE A 64 -2.691 5.142 -4.014 1.00 40.44 H new ATOM 0 HB ILE A 64 -2.441 8.095 -4.747 1.00 4.04 H new ATOM 0 HG12 ILE A 64 -0.466 6.190 -3.428 1.00 23.04 H new ATOM 0 HG13 ILE A 64 -0.357 6.791 -5.070 1.00 23.04 H new ATOM 0 HG21 ILE A 64 -2.231 8.485 -2.320 1.00 61.11 H new ATOM 0 HG22 ILE A 64 -3.815 7.793 -2.744 1.00 61.11 H new ATOM 0 HG23 ILE A 64 -2.559 6.762 -2.019 1.00 61.11 H new ATOM 0 HD11 ILE A 64 1.151 8.020 -3.586 1.00 30.24 H new ATOM 0 HD12 ILE A 64 -0.112 9.099 -4.223 1.00 30.24 H new ATOM 0 HD13 ILE A 64 -0.222 8.489 -2.555 1.00 30.24 H new ATOM 1015 N SER A 65 -5.162 5.496 -3.776 1.00 11.52 N ATOM 1016 CA SER A 65 -6.631 5.587 -3.705 1.00 3.30 C ATOM 1017 C SER A 65 -7.093 6.968 -3.214 1.00 50.42 C ATOM 1018 O SER A 65 -8.184 7.432 -3.559 1.00 52.21 O ATOM 1019 CB SER A 65 -7.192 4.498 -2.778 1.00 63.22 C ATOM 1020 OG SER A 65 -6.835 4.734 -1.423 1.00 62.31 O ATOM 0 H SER A 65 -4.750 4.841 -3.111 1.00 11.52 H new ATOM 0 HA SER A 65 -7.013 5.439 -4.715 1.00 3.30 H new ATOM 0 HB2 SER A 65 -8.278 4.465 -2.869 1.00 63.22 H new ATOM 0 HB3 SER A 65 -6.816 3.524 -3.090 1.00 63.22 H new ATOM 0 HG SER A 65 -6.360 3.953 -1.069 1.00 62.31 H new ATOM 1026 N LEU A 66 -6.257 7.614 -2.405 1.00 11.33 N ATOM 1027 CA LEU A 66 -6.552 8.947 -1.867 1.00 73.13 C ATOM 1028 C LEU A 66 -6.131 10.057 -2.846 1.00 45.33 C ATOM 1029 O LEU A 66 -5.252 9.860 -3.687 1.00 52.42 O ATOM 1030 CB LEU A 66 -5.829 9.149 -0.526 1.00 25.42 C ATOM 1031 CG LEU A 66 -6.088 8.067 0.541 1.00 3.14 C ATOM 1032 CD1 LEU A 66 -5.353 8.402 1.839 1.00 22.35 C ATOM 1033 CD2 LEU A 66 -7.586 7.897 0.793 1.00 63.34 C ATOM 0 H LEU A 66 -5.360 7.234 -2.103 1.00 11.33 H new ATOM 0 HA LEU A 66 -7.630 9.010 -1.718 1.00 73.13 H new ATOM 0 HB2 LEU A 66 -4.757 9.197 -0.716 1.00 25.42 H new ATOM 0 HB3 LEU A 66 -6.124 10.115 -0.117 1.00 25.42 H new ATOM 0 HG LEU A 66 -5.701 7.120 0.165 1.00 3.14 H new ATOM 0 HD11 LEU A 66 -5.549 7.626 2.579 1.00 22.35 H new ATOM 0 HD12 LEU A 66 -4.282 8.458 1.647 1.00 22.35 H new ATOM 0 HD13 LEU A 66 -5.704 9.362 2.218 1.00 22.35 H new ATOM 0 HD21 LEU A 66 -7.743 7.128 1.550 1.00 63.34 H new ATOM 0 HD22 LEU A 66 -8.006 8.840 1.142 1.00 63.34 H new ATOM 0 HD23 LEU A 66 -8.079 7.601 -0.133 1.00 63.34 H new ATOM 1045 N LYS A 67 -6.755 11.228 -2.730 1.00 14.11 N ATOM 1046 CA LYS A 67 -6.414 12.376 -3.583 1.00 24.13 C ATOM 1047 C LYS A 67 -6.180 13.651 -2.753 1.00 75.13 C ATOM 1048 O LYS A 67 -6.386 13.664 -1.538 1.00 74.33 O ATOM 1049 CB LYS A 67 -7.512 12.616 -4.636 1.00 4.51 C ATOM 1050 CG LYS A 67 -8.910 12.790 -4.051 1.00 12.10 C ATOM 1051 CD LYS A 67 -9.931 13.176 -5.121 1.00 63.40 C ATOM 1052 CE LYS A 67 -10.026 12.137 -6.236 1.00 74.10 C ATOM 1053 NZ LYS A 67 -10.529 10.825 -5.749 1.00 71.21 N ATOM 0 H LYS A 67 -7.499 11.411 -2.056 1.00 14.11 H new ATOM 0 HA LYS A 67 -5.482 12.137 -4.095 1.00 24.13 H new ATOM 0 HB2 LYS A 67 -7.258 13.505 -5.213 1.00 4.51 H new ATOM 0 HB3 LYS A 67 -7.523 11.777 -5.331 1.00 4.51 H new ATOM 0 HG2 LYS A 67 -9.221 11.862 -3.571 1.00 12.10 H new ATOM 0 HG3 LYS A 67 -8.887 13.557 -3.277 1.00 12.10 H new ATOM 0 HD2 LYS A 67 -10.910 13.299 -4.658 1.00 63.40 H new ATOM 0 HD3 LYS A 67 -9.658 14.141 -5.549 1.00 63.40 H new ATOM 0 HE2 LYS A 67 -10.687 12.508 -7.019 1.00 74.10 H new ATOM 0 HE3 LYS A 67 -9.043 12.001 -6.687 1.00 74.10 H new ATOM 0 HZ1 LYS A 67 -10.640 10.175 -6.554 1.00 71.21 H new ATOM 0 HZ2 LYS A 67 -9.851 10.423 -5.070 1.00 71.21 H new ATOM 0 HZ3 LYS A 67 -11.449 10.957 -5.282 1.00 71.21 H new ATOM 1067 N GLY A 68 -5.743 14.717 -3.419 1.00 14.23 N ATOM 1068 CA GLY A 68 -5.439 15.968 -2.731 1.00 2.41 C ATOM 1069 C GLY A 68 -4.142 15.901 -1.932 1.00 60.43 C ATOM 1070 O GLY A 68 -3.252 15.108 -2.246 1.00 52.43 O ATOM 0 H GLY A 68 -5.592 14.740 -4.428 1.00 14.23 H new ATOM 0 HA2 GLY A 68 -5.369 16.772 -3.463 1.00 2.41 H new ATOM 0 HA3 GLY A 68 -6.261 16.218 -2.061 1.00 2.41 H new ATOM 1074 N ARG A 69 -4.033 16.719 -0.885 1.00 54.25 N ATOM 1075 CA ARG A 69 -2.833 16.726 -0.038 1.00 30.33 C ATOM 1076 C ARG A 69 -2.627 15.362 0.649 1.00 14.01 C ATOM 1077 O ARG A 69 -1.521 15.036 1.082 1.00 10.30 O ATOM 1078 CB ARG A 69 -2.910 17.861 0.998 1.00 35.12 C ATOM 1079 CG ARG A 69 -1.646 18.017 1.845 1.00 24.41 C ATOM 1080 CD ARG A 69 -1.638 19.327 2.629 1.00 70.42 C ATOM 1081 NE ARG A 69 -2.827 19.485 3.462 1.00 20.42 N ATOM 1082 CZ ARG A 69 -2.928 20.329 4.453 1.00 62.45 C ATOM 1083 NH1 ARG A 69 -1.939 21.097 4.776 1.00 62.10 N ATOM 1084 NH2 ARG A 69 -4.034 20.404 5.115 1.00 13.32 N ATOM 0 H ARG A 69 -4.754 17.382 -0.602 1.00 54.25 H new ATOM 0 HA ARG A 69 -1.969 16.905 -0.677 1.00 30.33 H new ATOM 0 HB2 ARG A 69 -3.106 18.800 0.480 1.00 35.12 H new ATOM 0 HB3 ARG A 69 -3.758 17.679 1.659 1.00 35.12 H new ATOM 0 HG2 ARG A 69 -1.569 17.180 2.538 1.00 24.41 H new ATOM 0 HG3 ARG A 69 -0.770 17.977 1.198 1.00 24.41 H new ATOM 0 HD2 ARG A 69 -0.749 19.365 3.259 1.00 70.42 H new ATOM 0 HD3 ARG A 69 -1.572 20.163 1.933 1.00 70.42 H new ATOM 0 HE ARG A 69 -3.634 18.896 3.256 1.00 20.42 H new ATOM 0 HH11 ARG A 69 -1.064 21.049 4.254 1.00 62.10 H new ATOM 0 HH12 ARG A 69 -2.034 21.751 5.553 1.00 62.10 H new ATOM 0 HH21 ARG A 69 -4.821 19.806 4.862 1.00 13.32 H new ATOM 0 HH22 ARG A 69 -4.121 21.061 5.891 1.00 13.32 H new ATOM 1098 N ASP A 70 -3.696 14.565 0.737 1.00 60.53 N ATOM 1099 CA ASP A 70 -3.598 13.183 1.220 1.00 10.34 C ATOM 1100 C ASP A 70 -2.726 12.339 0.274 1.00 51.21 C ATOM 1101 O ASP A 70 -1.954 11.483 0.716 1.00 3.11 O ATOM 1102 CB ASP A 70 -4.995 12.564 1.334 1.00 24.10 C ATOM 1103 CG ASP A 70 -5.874 13.308 2.321 1.00 24.02 C ATOM 1104 OD1 ASP A 70 -6.389 14.392 1.970 1.00 34.30 O ATOM 1105 OD2 ASP A 70 -6.039 12.827 3.462 1.00 21.55 O ATOM 0 H ASP A 70 -4.640 14.853 0.480 1.00 60.53 H new ATOM 0 HA ASP A 70 -3.131 13.195 2.205 1.00 10.34 H new ATOM 0 HB2 ASP A 70 -5.472 12.565 0.354 1.00 24.10 H new ATOM 0 HB3 ASP A 70 -4.905 11.523 1.644 1.00 24.10 H new ATOM 1110 N LEU A 71 -2.853 12.597 -1.028 1.00 50.21 N ATOM 1111 CA LEU A 71 -2.037 11.922 -2.043 1.00 20.12 C ATOM 1112 C LEU A 71 -0.568 12.348 -1.905 1.00 2.43 C ATOM 1113 O LEU A 71 0.328 11.507 -1.841 1.00 0.40 O ATOM 1114 CB LEU A 71 -2.582 12.245 -3.453 1.00 25.31 C ATOM 1115 CG LEU A 71 -1.961 11.466 -4.637 1.00 22.40 C ATOM 1116 CD1 LEU A 71 -2.886 11.521 -5.852 1.00 30.53 C ATOM 1117 CD2 LEU A 71 -0.582 12.017 -5.013 1.00 21.54 C ATOM 0 H LEU A 71 -3.516 13.272 -1.408 1.00 50.21 H new ATOM 0 HA LEU A 71 -2.091 10.844 -1.894 1.00 20.12 H new ATOM 0 HB2 LEU A 71 -3.656 12.062 -3.452 1.00 25.31 H new ATOM 0 HB3 LEU A 71 -2.441 13.310 -3.636 1.00 25.31 H new ATOM 0 HG LEU A 71 -1.838 10.430 -4.320 1.00 22.40 H new ATOM 0 HD11 LEU A 71 -2.436 10.969 -6.677 1.00 30.53 H new ATOM 0 HD12 LEU A 71 -3.847 11.074 -5.598 1.00 30.53 H new ATOM 0 HD13 LEU A 71 -3.035 12.559 -6.149 1.00 30.53 H new ATOM 0 HD21 LEU A 71 -0.177 11.445 -5.848 1.00 21.54 H new ATOM 0 HD22 LEU A 71 -0.675 13.064 -5.301 1.00 21.54 H new ATOM 0 HD23 LEU A 71 0.088 11.934 -4.158 1.00 21.54 H new ATOM 1129 N ASP A 72 -0.335 13.662 -1.853 1.00 70.42 N ATOM 1130 CA ASP A 72 1.018 14.204 -1.662 1.00 70.23 C ATOM 1131 C ASP A 72 1.636 13.715 -0.341 1.00 63.31 C ATOM 1132 O ASP A 72 2.847 13.508 -0.247 1.00 34.22 O ATOM 1133 CB ASP A 72 0.981 15.735 -1.694 1.00 44.04 C ATOM 1134 CG ASP A 72 0.454 16.263 -3.015 1.00 52.33 C ATOM 1135 OD1 ASP A 72 1.235 16.325 -3.990 1.00 71.10 O ATOM 1136 OD2 ASP A 72 -0.744 16.607 -3.092 1.00 50.51 O ATOM 0 H ASP A 72 -1.063 14.371 -1.940 1.00 70.42 H new ATOM 0 HA ASP A 72 1.644 13.843 -2.478 1.00 70.23 H new ATOM 0 HB2 ASP A 72 0.353 16.100 -0.881 1.00 44.04 H new ATOM 0 HB3 ASP A 72 1.984 16.126 -1.522 1.00 44.04 H new ATOM 1141 N ARG A 73 0.794 13.542 0.675 1.00 25.23 N ATOM 1142 CA ARG A 73 1.221 12.976 1.960 1.00 53.10 C ATOM 1143 C ARG A 73 1.829 11.579 1.770 1.00 13.52 C ATOM 1144 O ARG A 73 2.994 11.342 2.103 1.00 32.24 O ATOM 1145 CB ARG A 73 0.023 12.898 2.921 1.00 70.13 C ATOM 1146 CG ARG A 73 0.323 12.203 4.250 1.00 2.14 C ATOM 1147 CD ARG A 73 -0.936 12.057 5.102 1.00 2.54 C ATOM 1148 NE ARG A 73 -1.520 13.353 5.441 1.00 74.40 N ATOM 1149 CZ ARG A 73 -2.779 13.669 5.279 1.00 1.41 C ATOM 1150 NH1 ARG A 73 -3.626 12.806 4.805 1.00 25.24 N ATOM 1151 NH2 ARG A 73 -3.186 14.853 5.598 1.00 73.24 N ATOM 0 H ARG A 73 -0.196 13.786 0.636 1.00 25.23 H new ATOM 0 HA ARG A 73 1.985 13.628 2.384 1.00 53.10 H new ATOM 0 HB2 ARG A 73 -0.330 13.909 3.125 1.00 70.13 H new ATOM 0 HB3 ARG A 73 -0.791 12.370 2.425 1.00 70.13 H new ATOM 0 HG2 ARG A 73 0.750 11.219 4.059 1.00 2.14 H new ATOM 0 HG3 ARG A 73 1.071 12.774 4.800 1.00 2.14 H new ATOM 0 HD2 ARG A 73 -1.671 11.458 4.564 1.00 2.54 H new ATOM 0 HD3 ARG A 73 -0.694 11.518 6.018 1.00 2.54 H new ATOM 0 HE ARG A 73 -0.901 14.063 5.832 1.00 74.40 H new ATOM 0 HH11 ARG A 73 -3.312 11.868 4.554 1.00 25.24 H new ATOM 0 HH12 ARG A 73 -4.605 13.066 4.684 1.00 25.24 H new ATOM 0 HH21 ARG A 73 -2.527 15.535 5.974 1.00 73.24 H new ATOM 0 HH22 ARG A 73 -4.166 15.106 5.474 1.00 73.24 H new ATOM 1165 N GLN A 74 1.032 10.663 1.221 1.00 20.31 N ATOM 1166 CA GLN A 74 1.477 9.284 0.993 1.00 44.44 C ATOM 1167 C GLN A 74 2.669 9.236 0.022 1.00 4.33 C ATOM 1168 O GLN A 74 3.631 8.494 0.233 1.00 71.34 O ATOM 1169 CB GLN A 74 0.312 8.446 0.450 1.00 23.31 C ATOM 1170 CG GLN A 74 0.643 6.965 0.306 1.00 14.42 C ATOM 1171 CD GLN A 74 -0.539 6.123 -0.143 1.00 62.40 C ATOM 1172 OE1 GLN A 74 -1.690 6.452 0.115 1.00 62.11 O ATOM 1173 NE2 GLN A 74 -0.259 5.016 -0.799 1.00 4.32 N ATOM 0 H GLN A 74 0.074 10.849 0.925 1.00 20.31 H new ATOM 0 HA GLN A 74 1.807 8.868 1.945 1.00 44.44 H new ATOM 0 HB2 GLN A 74 -0.545 8.556 1.115 1.00 23.31 H new ATOM 0 HB3 GLN A 74 0.014 8.840 -0.522 1.00 23.31 H new ATOM 0 HG2 GLN A 74 1.455 6.850 -0.412 1.00 14.42 H new ATOM 0 HG3 GLN A 74 1.007 6.587 1.262 1.00 14.42 H new ATOM 0 HE21 GLN A 74 0.711 4.772 -0.997 1.00 4.32 H new ATOM 0 HE22 GLN A 74 -1.013 4.402 -1.109 1.00 4.32 H new ATOM 1182 N LYS A 75 2.596 10.049 -1.029 1.00 70.32 N ATOM 1183 CA LYS A 75 3.661 10.140 -2.035 1.00 11.32 C ATOM 1184 C LYS A 75 5.028 10.445 -1.395 1.00 15.22 C ATOM 1185 O LYS A 75 5.999 9.722 -1.620 1.00 34.31 O ATOM 1186 CB LYS A 75 3.290 11.216 -3.070 1.00 41.22 C ATOM 1187 CG LYS A 75 4.396 11.547 -4.069 1.00 40.42 C ATOM 1188 CD LYS A 75 3.876 12.417 -5.212 1.00 34.50 C ATOM 1189 CE LYS A 75 5.007 12.950 -6.086 1.00 3.32 C ATOM 1190 NZ LYS A 75 5.821 13.973 -5.376 1.00 61.41 N ATOM 0 H LYS A 75 1.802 10.663 -1.211 1.00 70.32 H new ATOM 0 HA LYS A 75 3.752 9.173 -2.530 1.00 11.32 H new ATOM 0 HB2 LYS A 75 2.410 10.884 -3.620 1.00 41.22 H new ATOM 0 HB3 LYS A 75 3.011 12.128 -2.542 1.00 41.22 H new ATOM 0 HG2 LYS A 75 5.207 12.064 -3.557 1.00 40.42 H new ATOM 0 HG3 LYS A 75 4.811 10.624 -4.473 1.00 40.42 H new ATOM 0 HD2 LYS A 75 3.187 11.836 -5.825 1.00 34.50 H new ATOM 0 HD3 LYS A 75 3.310 13.253 -4.802 1.00 34.50 H new ATOM 0 HE2 LYS A 75 5.649 12.124 -6.393 1.00 3.32 H new ATOM 0 HE3 LYS A 75 4.590 13.384 -6.995 1.00 3.32 H new ATOM 0 HZ1 LYS A 75 6.589 14.298 -5.997 1.00 61.41 H new ATOM 0 HZ2 LYS A 75 5.218 14.780 -5.120 1.00 61.41 H new ATOM 0 HZ3 LYS A 75 6.226 13.557 -4.513 1.00 61.41 H new ATOM 1204 N GLN A 76 5.089 11.501 -0.582 1.00 52.22 N ATOM 1205 CA GLN A 76 6.333 11.887 0.104 1.00 23.21 C ATOM 1206 C GLN A 76 6.829 10.780 1.052 1.00 14.00 C ATOM 1207 O GLN A 76 8.035 10.528 1.158 1.00 23.33 O ATOM 1208 CB GLN A 76 6.123 13.194 0.881 1.00 31.40 C ATOM 1209 CG GLN A 76 5.859 14.397 -0.017 1.00 52.43 C ATOM 1210 CD GLN A 76 5.481 15.646 0.763 1.00 73.32 C ATOM 1211 OE1 GLN A 76 6.336 16.426 1.167 1.00 54.05 O ATOM 1212 NE2 GLN A 76 4.193 15.844 0.980 1.00 13.33 N ATOM 0 H GLN A 76 4.294 12.107 -0.380 1.00 52.22 H new ATOM 0 HA GLN A 76 7.098 12.038 -0.657 1.00 23.21 H new ATOM 0 HB2 GLN A 76 5.284 13.070 1.566 1.00 31.40 H new ATOM 0 HB3 GLN A 76 7.005 13.391 1.490 1.00 31.40 H new ATOM 0 HG2 GLN A 76 6.749 14.602 -0.612 1.00 52.43 H new ATOM 0 HG3 GLN A 76 5.058 14.154 -0.715 1.00 52.43 H new ATOM 0 HE21 GLN A 76 3.508 15.174 0.629 1.00 13.33 H new ATOM 0 HE22 GLN A 76 3.884 16.666 1.498 1.00 13.33 H new ATOM 1221 N LYS A 77 5.896 10.120 1.738 1.00 44.11 N ATOM 1222 CA LYS A 77 6.243 9.012 2.637 1.00 52.35 C ATOM 1223 C LYS A 77 6.950 7.874 1.882 1.00 72.35 C ATOM 1224 O LYS A 77 7.767 7.153 2.454 1.00 63.11 O ATOM 1225 CB LYS A 77 4.988 8.478 3.343 1.00 75.24 C ATOM 1226 CG LYS A 77 4.293 9.473 4.283 1.00 21.13 C ATOM 1227 CD LYS A 77 5.082 9.730 5.576 1.00 32.01 C ATOM 1228 CE LYS A 77 6.234 10.717 5.382 1.00 31.12 C ATOM 1229 NZ LYS A 77 7.028 10.900 6.625 1.00 71.02 N ATOM 0 H LYS A 77 4.899 10.329 1.691 1.00 44.11 H new ATOM 0 HA LYS A 77 6.934 9.400 3.386 1.00 52.35 H new ATOM 0 HB2 LYS A 77 4.273 8.158 2.585 1.00 75.24 H new ATOM 0 HB3 LYS A 77 5.262 7.592 3.916 1.00 75.24 H new ATOM 0 HG2 LYS A 77 4.147 10.418 3.759 1.00 21.13 H new ATOM 0 HG3 LYS A 77 3.303 9.093 4.537 1.00 21.13 H new ATOM 0 HD2 LYS A 77 4.405 10.114 6.339 1.00 32.01 H new ATOM 0 HD3 LYS A 77 5.478 8.785 5.948 1.00 32.01 H new ATOM 0 HE2 LYS A 77 6.886 10.360 4.585 1.00 31.12 H new ATOM 0 HE3 LYS A 77 5.836 11.680 5.061 1.00 31.12 H new ATOM 0 HZ1 LYS A 77 7.798 11.577 6.449 1.00 71.02 H new ATOM 0 HZ2 LYS A 77 6.412 11.265 7.380 1.00 71.02 H new ATOM 0 HZ3 LYS A 77 7.430 9.987 6.918 1.00 71.02 H new ATOM 1243 N LEU A 78 6.622 7.721 0.602 1.00 44.24 N ATOM 1244 CA LEU A 78 7.287 6.741 -0.264 1.00 33.54 C ATOM 1245 C LEU A 78 8.576 7.326 -0.869 1.00 64.02 C ATOM 1246 O LEU A 78 9.568 6.618 -1.070 1.00 3.14 O ATOM 1247 CB LEU A 78 6.328 6.301 -1.375 1.00 3.31 C ATOM 1248 CG LEU A 78 5.022 5.656 -0.880 1.00 25.45 C ATOM 1249 CD1 LEU A 78 4.082 5.361 -2.043 1.00 60.21 C ATOM 1250 CD2 LEU A 78 5.316 4.383 -0.090 1.00 44.30 C ATOM 0 H LEU A 78 5.896 8.265 0.136 1.00 44.24 H new ATOM 0 HA LEU A 78 7.562 5.875 0.337 1.00 33.54 H new ATOM 0 HB2 LEU A 78 6.080 7.169 -1.986 1.00 3.31 H new ATOM 0 HB3 LEU A 78 6.845 5.592 -2.022 1.00 3.31 H new ATOM 0 HG LEU A 78 4.526 6.366 -0.218 1.00 25.45 H new ATOM 0 HD11 LEU A 78 3.167 4.906 -1.665 1.00 60.21 H new ATOM 0 HD12 LEU A 78 3.839 6.290 -2.559 1.00 60.21 H new ATOM 0 HD13 LEU A 78 4.567 4.676 -2.738 1.00 60.21 H new ATOM 0 HD21 LEU A 78 4.379 3.942 0.251 1.00 44.30 H new ATOM 0 HD22 LEU A 78 5.841 3.672 -0.728 1.00 44.30 H new ATOM 0 HD23 LEU A 78 5.938 4.625 0.772 1.00 44.30 H new ATOM 1262 N GLU A 79 8.560 8.629 -1.150 1.00 24.13 N ATOM 1263 CA GLU A 79 9.751 9.328 -1.645 1.00 1.13 C ATOM 1264 C GLU A 79 10.881 9.315 -0.607 1.00 53.35 C ATOM 1265 O GLU A 79 12.022 9.663 -0.911 1.00 72.40 O ATOM 1266 CB GLU A 79 9.413 10.772 -2.039 1.00 10.42 C ATOM 1267 CG GLU A 79 8.462 10.875 -3.225 1.00 25.43 C ATOM 1268 CD GLU A 79 8.263 12.308 -3.686 1.00 73.12 C ATOM 1269 OE1 GLU A 79 9.090 12.797 -4.482 1.00 11.42 O ATOM 1270 OE2 GLU A 79 7.284 12.951 -3.258 1.00 12.34 O ATOM 0 H GLU A 79 7.738 9.223 -1.044 1.00 24.13 H new ATOM 0 HA GLU A 79 10.097 8.795 -2.530 1.00 1.13 H new ATOM 0 HB2 GLU A 79 8.968 11.279 -1.183 1.00 10.42 H new ATOM 0 HB3 GLU A 79 10.336 11.300 -2.278 1.00 10.42 H new ATOM 0 HG2 GLU A 79 8.851 10.281 -4.052 1.00 25.43 H new ATOM 0 HG3 GLU A 79 7.497 10.447 -2.952 1.00 25.43 H new ATOM 1277 N ALA A 80 10.554 8.919 0.623 1.00 41.23 N ATOM 1278 CA ALA A 80 11.562 8.702 1.670 1.00 24.31 C ATOM 1279 C ALA A 80 12.712 7.786 1.196 1.00 71.24 C ATOM 1280 O ALA A 80 13.874 8.003 1.546 1.00 3.14 O ATOM 1281 CB ALA A 80 10.906 8.130 2.922 1.00 10.45 C ATOM 0 H ALA A 80 9.596 8.740 0.923 1.00 41.23 H new ATOM 0 HA ALA A 80 12.001 9.672 1.904 1.00 24.31 H new ATOM 0 HB1 ALA A 80 11.663 7.974 3.690 1.00 10.45 H new ATOM 0 HB2 ALA A 80 10.154 8.828 3.290 1.00 10.45 H new ATOM 0 HB3 ALA A 80 10.431 7.179 2.682 1.00 10.45 H new ATOM 1287 N GLU A 81 12.385 6.759 0.404 1.00 43.54 N ATOM 1288 CA GLU A 81 13.410 5.882 -0.193 1.00 11.04 C ATOM 1289 C GLU A 81 13.770 6.327 -1.621 1.00 24.33 C ATOM 1290 O GLU A 81 14.612 5.716 -2.280 1.00 64.55 O ATOM 1291 CB GLU A 81 12.934 4.419 -0.235 1.00 72.10 C ATOM 1292 CG GLU A 81 12.583 3.823 1.124 1.00 62.22 C ATOM 1293 CD GLU A 81 11.251 4.316 1.666 1.00 62.20 C ATOM 1294 OE1 GLU A 81 10.225 4.121 0.987 1.00 43.11 O ATOM 1295 OE2 GLU A 81 11.217 4.868 2.784 1.00 44.31 O ATOM 0 H GLU A 81 11.426 6.512 0.160 1.00 43.54 H new ATOM 0 HA GLU A 81 14.294 5.959 0.440 1.00 11.04 H new ATOM 0 HB2 GLU A 81 12.059 4.355 -0.882 1.00 72.10 H new ATOM 0 HB3 GLU A 81 13.714 3.811 -0.693 1.00 72.10 H new ATOM 0 HG2 GLU A 81 12.555 2.737 1.041 1.00 62.22 H new ATOM 0 HG3 GLU A 81 13.371 4.068 1.836 1.00 62.22 H new ATOM 1302 N GLY A 82 13.131 7.395 -2.089 1.00 60.31 N ATOM 1303 CA GLY A 82 13.324 7.856 -3.461 1.00 71.31 C ATOM 1304 C GLY A 82 12.432 7.127 -4.467 1.00 41.20 C ATOM 1305 O GLY A 82 12.708 7.131 -5.668 1.00 25.02 O ATOM 0 H GLY A 82 12.478 7.956 -1.542 1.00 60.31 H new ATOM 0 HA2 GLY A 82 13.120 8.926 -3.511 1.00 71.31 H new ATOM 0 HA3 GLY A 82 14.368 7.717 -3.742 1.00 71.31 H new ATOM 1309 N ILE A 83 11.358 6.505 -3.975 1.00 64.24 N ATOM 1310 CA ILE A 83 10.421 5.763 -4.831 1.00 24.52 C ATOM 1311 C ILE A 83 9.775 6.670 -5.892 1.00 64.52 C ATOM 1312 O ILE A 83 9.260 7.745 -5.578 1.00 45.12 O ATOM 1313 CB ILE A 83 9.303 5.090 -3.986 1.00 41.51 C ATOM 1314 CG1 ILE A 83 9.906 4.039 -3.036 1.00 22.14 C ATOM 1315 CG2 ILE A 83 8.229 4.463 -4.882 1.00 22.31 C ATOM 1316 CD1 ILE A 83 8.885 3.355 -2.147 1.00 52.25 C ATOM 0 H ILE A 83 11.113 6.499 -2.985 1.00 64.24 H new ATOM 0 HA ILE A 83 11.004 4.994 -5.338 1.00 24.52 H new ATOM 0 HB ILE A 83 8.822 5.863 -3.386 1.00 41.51 H new ATOM 0 HG12 ILE A 83 10.422 3.283 -3.627 1.00 22.14 H new ATOM 0 HG13 ILE A 83 10.656 4.519 -2.408 1.00 22.14 H new ATOM 0 HG21 ILE A 83 7.462 4.001 -4.261 1.00 22.31 H new ATOM 0 HG22 ILE A 83 7.776 5.236 -5.503 1.00 22.31 H new ATOM 0 HG23 ILE A 83 8.684 3.706 -5.520 1.00 22.31 H new ATOM 0 HD11 ILE A 83 9.387 2.629 -1.508 1.00 52.25 H new ATOM 0 HD12 ILE A 83 8.385 4.100 -1.528 1.00 52.25 H new ATOM 0 HD13 ILE A 83 8.148 2.844 -2.766 1.00 52.25 H new ATOM 1328 N GLU A 84 9.819 6.236 -7.150 1.00 13.20 N ATOM 1329 CA GLU A 84 9.164 6.965 -8.239 1.00 52.24 C ATOM 1330 C GLU A 84 7.637 6.904 -8.118 1.00 40.52 C ATOM 1331 O GLU A 84 7.018 5.853 -8.307 1.00 4.02 O ATOM 1332 CB GLU A 84 9.596 6.418 -9.609 1.00 21.04 C ATOM 1333 CG GLU A 84 8.773 6.957 -10.787 1.00 24.54 C ATOM 1334 CD GLU A 84 8.941 8.456 -11.034 1.00 12.41 C ATOM 1335 OE1 GLU A 84 8.396 9.269 -10.254 1.00 11.43 O ATOM 1336 OE2 GLU A 84 9.590 8.825 -12.038 1.00 3.41 O ATOM 0 H GLU A 84 10.300 5.385 -7.442 1.00 13.20 H new ATOM 0 HA GLU A 84 9.476 8.006 -8.159 1.00 52.24 H new ATOM 0 HB2 GLU A 84 10.646 6.662 -9.771 1.00 21.04 H new ATOM 0 HB3 GLU A 84 9.520 5.331 -9.594 1.00 21.04 H new ATOM 0 HG2 GLU A 84 9.056 6.417 -11.691 1.00 24.54 H new ATOM 0 HG3 GLU A 84 7.719 6.746 -10.606 1.00 24.54 H new ATOM 1343 N VAL A 85 7.044 8.042 -7.785 1.00 12.43 N ATOM 1344 CA VAL A 85 5.589 8.190 -7.751 1.00 13.11 C ATOM 1345 C VAL A 85 5.159 9.312 -8.706 1.00 70.14 C ATOM 1346 O VAL A 85 5.390 10.494 -8.432 1.00 30.13 O ATOM 1347 CB VAL A 85 5.073 8.519 -6.325 1.00 25.53 C ATOM 1348 CG1 VAL A 85 3.543 8.541 -6.293 1.00 4.53 C ATOM 1349 CG2 VAL A 85 5.630 7.531 -5.300 1.00 24.10 C ATOM 0 H VAL A 85 7.553 8.889 -7.531 1.00 12.43 H new ATOM 0 HA VAL A 85 5.157 7.238 -8.060 1.00 13.11 H new ATOM 0 HB VAL A 85 5.430 9.513 -6.057 1.00 25.53 H new ATOM 0 HG11 VAL A 85 3.203 8.774 -5.284 1.00 4.53 H new ATOM 0 HG12 VAL A 85 3.176 9.300 -6.983 1.00 4.53 H new ATOM 0 HG13 VAL A 85 3.159 7.565 -6.589 1.00 4.53 H new ATOM 0 HG21 VAL A 85 5.253 7.784 -4.309 1.00 24.10 H new ATOM 0 HG22 VAL A 85 5.316 6.520 -5.561 1.00 24.10 H new ATOM 0 HG23 VAL A 85 6.719 7.583 -5.298 1.00 24.10 H new ATOM 1359 N SER A 86 4.562 8.940 -9.835 1.00 74.25 N ATOM 1360 CA SER A 86 4.092 9.926 -10.820 1.00 41.54 C ATOM 1361 C SER A 86 3.113 10.917 -10.188 1.00 33.31 C ATOM 1362 O SER A 86 2.321 10.543 -9.324 1.00 63.21 O ATOM 1363 CB SER A 86 3.418 9.238 -12.013 1.00 42.45 C ATOM 1364 OG SER A 86 2.883 10.195 -12.918 1.00 51.23 O ATOM 0 H SER A 86 4.390 7.969 -10.095 1.00 74.25 H new ATOM 0 HA SER A 86 4.969 10.470 -11.172 1.00 41.54 H new ATOM 0 HB2 SER A 86 4.142 8.608 -12.530 1.00 42.45 H new ATOM 0 HB3 SER A 86 2.622 8.584 -11.658 1.00 42.45 H new ATOM 0 HG SER A 86 2.460 9.732 -13.671 1.00 51.23 H new ATOM 1370 N GLU A 87 3.162 12.169 -10.652 1.00 54.34 N ATOM 1371 CA GLU A 87 2.371 13.272 -10.076 1.00 33.23 C ATOM 1372 C GLU A 87 0.881 12.916 -9.901 1.00 71.23 C ATOM 1373 O GLU A 87 0.212 13.439 -9.009 1.00 51.12 O ATOM 1374 CB GLU A 87 2.511 14.529 -10.950 1.00 44.14 C ATOM 1375 CG GLU A 87 2.075 14.322 -12.397 1.00 72.03 C ATOM 1376 CD GLU A 87 2.315 15.548 -13.268 1.00 21.24 C ATOM 1377 OE1 GLU A 87 3.422 15.678 -13.835 1.00 11.41 O ATOM 1378 OE2 GLU A 87 1.398 16.383 -13.397 1.00 73.31 O ATOM 0 H GLU A 87 3.749 12.451 -11.437 1.00 54.34 H new ATOM 0 HA GLU A 87 2.770 13.462 -9.080 1.00 33.23 H new ATOM 0 HB2 GLU A 87 1.918 15.332 -10.513 1.00 44.14 H new ATOM 0 HB3 GLU A 87 3.551 14.856 -10.936 1.00 44.14 H new ATOM 0 HG2 GLU A 87 2.615 13.473 -12.816 1.00 72.03 H new ATOM 0 HG3 GLU A 87 1.015 14.068 -12.419 1.00 72.03 H new ATOM 1385 N ILE A 88 0.368 12.019 -10.742 1.00 72.52 N ATOM 1386 CA ILE A 88 -1.031 11.571 -10.647 1.00 0.32 C ATOM 1387 C ILE A 88 -1.210 10.469 -9.584 1.00 11.43 C ATOM 1388 O ILE A 88 -2.236 9.789 -9.543 1.00 64.10 O ATOM 1389 CB ILE A 88 -1.543 11.049 -12.012 1.00 53.04 C ATOM 1390 CG1 ILE A 88 -0.699 9.853 -12.489 1.00 43.31 C ATOM 1391 CG2 ILE A 88 -1.519 12.172 -13.048 1.00 65.31 C ATOM 1392 CD1 ILE A 88 -1.183 9.243 -13.790 1.00 64.13 C ATOM 0 H ILE A 88 0.896 11.585 -11.499 1.00 72.52 H new ATOM 0 HA ILE A 88 -1.617 12.441 -10.349 1.00 0.32 H new ATOM 0 HB ILE A 88 -2.572 10.710 -11.890 1.00 53.04 H new ATOM 0 HG12 ILE A 88 0.335 10.176 -12.612 1.00 43.31 H new ATOM 0 HG13 ILE A 88 -0.703 9.086 -11.715 1.00 43.31 H new ATOM 0 HG21 ILE A 88 -1.881 11.793 -14.004 1.00 65.31 H new ATOM 0 HG22 ILE A 88 -2.160 12.988 -12.715 1.00 65.31 H new ATOM 0 HG23 ILE A 88 -0.499 12.537 -13.165 1.00 65.31 H new ATOM 0 HD11 ILE A 88 -0.539 8.407 -14.061 1.00 64.13 H new ATOM 0 HD12 ILE A 88 -2.206 8.888 -13.667 1.00 64.13 H new ATOM 0 HD13 ILE A 88 -1.152 9.995 -14.578 1.00 64.13 H new ATOM 1404 N GLY A 89 -0.205 10.312 -8.723 1.00 12.23 N ATOM 1405 CA GLY A 89 -0.237 9.287 -7.685 1.00 13.03 C ATOM 1406 C GLY A 89 -0.061 7.875 -8.230 1.00 61.41 C ATOM 1407 O GLY A 89 -0.571 6.916 -7.656 1.00 33.52 O ATOM 0 H GLY A 89 0.641 10.882 -8.725 1.00 12.23 H new ATOM 0 HA2 GLY A 89 0.550 9.490 -6.959 1.00 13.03 H new ATOM 0 HA3 GLY A 89 -1.186 9.348 -7.152 1.00 13.03 H new ATOM 1411 N LYS A 90 0.683 7.739 -9.327 1.00 13.44 N ATOM 1412 CA LYS A 90 0.824 6.438 -10.006 1.00 2.02 C ATOM 1413 C LYS A 90 2.253 5.881 -9.887 1.00 55.24 C ATOM 1414 O LYS A 90 3.225 6.542 -10.254 1.00 5.22 O ATOM 1415 CB LYS A 90 0.414 6.566 -11.482 1.00 40.34 C ATOM 1416 CG LYS A 90 0.335 5.234 -12.232 1.00 55.43 C ATOM 1417 CD LYS A 90 -0.358 5.384 -13.588 1.00 60.42 C ATOM 1418 CE LYS A 90 -0.517 4.044 -14.305 1.00 74.32 C ATOM 1419 NZ LYS A 90 0.790 3.477 -14.733 1.00 5.21 N ATOM 0 H LYS A 90 1.196 8.503 -9.767 1.00 13.44 H new ATOM 0 HA LYS A 90 0.159 5.730 -9.511 1.00 2.02 H new ATOM 0 HB2 LYS A 90 -0.557 7.058 -11.536 1.00 40.34 H new ATOM 0 HB3 LYS A 90 1.128 7.214 -11.990 1.00 40.34 H new ATOM 0 HG2 LYS A 90 1.341 4.840 -12.380 1.00 55.43 H new ATOM 0 HG3 LYS A 90 -0.206 4.507 -11.626 1.00 55.43 H new ATOM 0 HD2 LYS A 90 -1.339 5.836 -13.445 1.00 60.42 H new ATOM 0 HD3 LYS A 90 0.218 6.064 -14.216 1.00 60.42 H new ATOM 0 HE2 LYS A 90 -1.019 3.337 -13.644 1.00 74.32 H new ATOM 0 HE3 LYS A 90 -1.158 4.174 -15.177 1.00 74.32 H new ATOM 0 HZ1 LYS A 90 0.631 2.586 -15.244 1.00 5.21 H new ATOM 0 HZ2 LYS A 90 1.274 4.153 -15.358 1.00 5.21 H new ATOM 0 HZ3 LYS A 90 1.380 3.295 -13.896 1.00 5.21 H new ATOM 1433 N ILE A 91 2.362 4.653 -9.383 1.00 34.11 N ATOM 1434 CA ILE A 91 3.661 4.004 -9.149 1.00 50.54 C ATOM 1435 C ILE A 91 3.892 2.839 -10.128 1.00 61.21 C ATOM 1436 O ILE A 91 2.945 2.165 -10.537 1.00 22.32 O ATOM 1437 CB ILE A 91 3.746 3.458 -7.697 1.00 60.15 C ATOM 1438 CG1 ILE A 91 3.445 4.576 -6.683 1.00 10.23 C ATOM 1439 CG2 ILE A 91 5.119 2.840 -7.424 1.00 60.52 C ATOM 1440 CD1 ILE A 91 3.395 4.097 -5.246 1.00 52.55 C ATOM 0 H ILE A 91 1.560 4.078 -9.125 1.00 34.11 H new ATOM 0 HA ILE A 91 4.430 4.760 -9.307 1.00 50.54 H new ATOM 0 HB ILE A 91 2.995 2.676 -7.584 1.00 60.15 H new ATOM 0 HG12 ILE A 91 4.207 5.350 -6.772 1.00 10.23 H new ATOM 0 HG13 ILE A 91 2.490 5.037 -6.937 1.00 10.23 H new ATOM 0 HG21 ILE A 91 5.152 2.465 -6.401 1.00 60.52 H new ATOM 0 HG22 ILE A 91 5.292 2.017 -8.118 1.00 60.52 H new ATOM 0 HG23 ILE A 91 5.892 3.597 -7.559 1.00 60.52 H new ATOM 0 HD11 ILE A 91 3.178 4.939 -4.589 1.00 52.55 H new ATOM 0 HD12 ILE A 91 2.614 3.344 -5.140 1.00 52.55 H new ATOM 0 HD13 ILE A 91 4.357 3.662 -4.974 1.00 52.55 H new ATOM 1452 N ALA A 92 5.152 2.605 -10.504 1.00 4.53 N ATOM 1453 CA ALA A 92 5.499 1.466 -11.364 1.00 35.34 C ATOM 1454 C ALA A 92 5.605 0.167 -10.544 1.00 65.35 C ATOM 1455 O ALA A 92 6.662 -0.157 -9.991 1.00 23.40 O ATOM 1456 CB ALA A 92 6.805 1.742 -12.108 1.00 13.24 C ATOM 0 H ALA A 92 5.946 3.184 -10.230 1.00 4.53 H new ATOM 0 HA ALA A 92 4.702 1.336 -12.096 1.00 35.34 H new ATOM 0 HB1 ALA A 92 7.050 0.890 -12.742 1.00 13.24 H new ATOM 0 HB2 ALA A 92 6.690 2.632 -12.726 1.00 13.24 H new ATOM 0 HB3 ALA A 92 7.607 1.901 -11.388 1.00 13.24 H new ATOM 1462 N LEU A 93 4.501 -0.575 -10.472 1.00 5.04 N ATOM 1463 CA LEU A 93 4.430 -1.794 -9.655 1.00 64.33 C ATOM 1464 C LEU A 93 5.337 -2.906 -10.193 1.00 61.52 C ATOM 1465 O LEU A 93 5.833 -3.730 -9.429 1.00 42.31 O ATOM 1466 CB LEU A 93 2.981 -2.301 -9.572 1.00 61.11 C ATOM 1467 CG LEU A 93 1.991 -1.360 -8.866 1.00 45.31 C ATOM 1468 CD1 LEU A 93 0.592 -1.974 -8.831 1.00 13.53 C ATOM 1469 CD2 LEU A 93 2.473 -1.031 -7.454 1.00 63.33 C ATOM 0 H LEU A 93 3.638 -0.355 -10.970 1.00 5.04 H new ATOM 0 HA LEU A 93 4.783 -1.530 -8.658 1.00 64.33 H new ATOM 0 HB2 LEU A 93 2.621 -2.487 -10.584 1.00 61.11 H new ATOM 0 HB3 LEU A 93 2.979 -3.259 -9.052 1.00 61.11 H new ATOM 0 HG LEU A 93 1.940 -0.431 -9.434 1.00 45.31 H new ATOM 0 HD11 LEU A 93 -0.092 -1.292 -8.327 1.00 13.53 H new ATOM 0 HD12 LEU A 93 0.246 -2.149 -9.850 1.00 13.53 H new ATOM 0 HD13 LEU A 93 0.623 -2.920 -8.291 1.00 13.53 H new ATOM 0 HD21 LEU A 93 1.758 -0.364 -6.972 1.00 63.33 H new ATOM 0 HD22 LEU A 93 2.559 -1.951 -6.875 1.00 63.33 H new ATOM 0 HD23 LEU A 93 3.446 -0.543 -7.506 1.00 63.33 H new ATOM 1481 N ARG A 94 5.562 -2.919 -11.504 1.00 44.13 N ATOM 1482 CA ARG A 94 6.385 -3.956 -12.139 1.00 52.12 C ATOM 1483 C ARG A 94 7.785 -4.044 -11.501 1.00 73.11 C ATOM 1484 O ARG A 94 8.386 -5.118 -11.448 1.00 24.10 O ATOM 1485 CB ARG A 94 6.508 -3.686 -13.646 1.00 75.11 C ATOM 1486 CG ARG A 94 7.186 -4.813 -14.425 1.00 74.32 C ATOM 1487 CD ARG A 94 6.385 -6.112 -14.356 1.00 42.23 C ATOM 1488 NE ARG A 94 7.066 -7.217 -15.027 1.00 0.33 N ATOM 1489 CZ ARG A 94 6.635 -8.449 -15.036 1.00 31.11 C ATOM 1490 NH1 ARG A 94 5.526 -8.773 -14.450 1.00 52.23 N ATOM 1491 NH2 ARG A 94 7.312 -9.362 -15.644 1.00 44.45 N ATOM 0 H ARG A 94 5.188 -2.225 -12.151 1.00 44.13 H new ATOM 0 HA ARG A 94 5.888 -4.914 -11.983 1.00 52.12 H new ATOM 0 HB2 ARG A 94 5.512 -3.521 -14.058 1.00 75.11 H new ATOM 0 HB3 ARG A 94 7.071 -2.765 -13.795 1.00 75.11 H new ATOM 0 HG2 ARG A 94 7.305 -4.514 -15.466 1.00 74.32 H new ATOM 0 HG3 ARG A 94 8.186 -4.981 -14.025 1.00 74.32 H new ATOM 0 HD2 ARG A 94 6.211 -6.375 -13.312 1.00 42.23 H new ATOM 0 HD3 ARG A 94 5.407 -5.959 -14.813 1.00 42.23 H new ATOM 0 HE ARG A 94 7.935 -7.012 -15.521 1.00 0.33 H new ATOM 0 HH11 ARG A 94 4.975 -8.060 -13.972 1.00 52.23 H new ATOM 0 HH12 ARG A 94 5.204 -9.741 -14.467 1.00 52.23 H new ATOM 0 HH21 ARG A 94 8.183 -9.121 -16.117 1.00 44.45 H new ATOM 0 HH22 ARG A 94 6.977 -10.325 -15.652 1.00 44.45 H new ATOM 1505 N LYS A 95 8.301 -2.913 -11.018 1.00 64.34 N ATOM 1506 CA LYS A 95 9.616 -2.880 -10.363 1.00 20.32 C ATOM 1507 C LYS A 95 9.493 -2.676 -8.838 1.00 71.35 C ATOM 1508 O LYS A 95 10.293 -3.204 -8.067 1.00 43.21 O ATOM 1509 CB LYS A 95 10.488 -1.779 -10.985 1.00 1.54 C ATOM 1510 CG LYS A 95 9.911 -0.371 -10.845 1.00 73.33 C ATOM 1511 CD LYS A 95 10.750 0.674 -11.583 1.00 41.34 C ATOM 1512 CE LYS A 95 12.184 0.737 -11.064 1.00 31.23 C ATOM 1513 NZ LYS A 95 12.987 1.763 -11.779 1.00 64.52 N ATOM 0 H LYS A 95 7.832 -2.008 -11.066 1.00 64.34 H new ATOM 0 HA LYS A 95 10.092 -3.847 -10.524 1.00 20.32 H new ATOM 0 HB2 LYS A 95 11.473 -1.804 -10.519 1.00 1.54 H new ATOM 0 HB3 LYS A 95 10.630 -1.998 -12.043 1.00 1.54 H new ATOM 0 HG2 LYS A 95 8.893 -0.357 -11.234 1.00 73.33 H new ATOM 0 HG3 LYS A 95 9.853 -0.108 -9.789 1.00 73.33 H new ATOM 0 HD2 LYS A 95 10.761 0.442 -12.648 1.00 41.34 H new ATOM 0 HD3 LYS A 95 10.284 1.653 -11.475 1.00 41.34 H new ATOM 0 HE2 LYS A 95 12.175 0.962 -9.997 1.00 31.23 H new ATOM 0 HE3 LYS A 95 12.655 -0.239 -11.180 1.00 31.23 H new ATOM 0 HZ1 LYS A 95 13.954 1.775 -11.397 1.00 64.52 H new ATOM 0 HZ2 LYS A 95 13.018 1.535 -12.793 1.00 64.52 H new ATOM 0 HZ3 LYS A 95 12.552 2.698 -11.647 1.00 64.52 H new ATOM 1527 N TYR A 96 8.482 -1.917 -8.406 1.00 34.35 N ATOM 1528 CA TYR A 96 8.288 -1.631 -6.973 1.00 13.05 C ATOM 1529 C TYR A 96 7.420 -2.691 -6.268 1.00 3.14 C ATOM 1530 O TYR A 96 7.047 -2.522 -5.105 1.00 1.20 O ATOM 1531 CB TYR A 96 7.687 -0.230 -6.779 1.00 54.03 C ATOM 1532 CG TYR A 96 8.683 0.883 -7.038 1.00 53.22 C ATOM 1533 CD1 TYR A 96 9.707 1.138 -6.131 1.00 11.10 C ATOM 1534 CD2 TYR A 96 8.607 1.674 -8.178 1.00 54.54 C ATOM 1535 CE1 TYR A 96 10.625 2.144 -6.355 1.00 12.24 C ATOM 1536 CE2 TYR A 96 9.521 2.683 -8.407 1.00 4.14 C ATOM 1537 CZ TYR A 96 10.528 2.915 -7.493 1.00 52.11 C ATOM 1538 OH TYR A 96 11.439 3.921 -7.721 1.00 73.31 O ATOM 0 H TYR A 96 7.787 -1.490 -9.019 1.00 34.35 H new ATOM 0 HA TYR A 96 9.273 -1.667 -6.508 1.00 13.05 H new ATOM 0 HB2 TYR A 96 6.835 -0.110 -7.448 1.00 54.03 H new ATOM 0 HB3 TYR A 96 7.308 -0.141 -5.761 1.00 54.03 H new ATOM 0 HD1 TYR A 96 9.785 0.538 -5.236 1.00 11.10 H new ATOM 0 HD2 TYR A 96 7.820 1.497 -8.896 1.00 54.54 H new ATOM 0 HE1 TYR A 96 11.415 2.326 -5.642 1.00 12.24 H new ATOM 0 HE2 TYR A 96 9.448 3.288 -9.298 1.00 4.14 H new ATOM 0 HH TYR A 96 11.384 4.206 -8.657 1.00 73.31 H new ATOM 1548 N LYS A 97 7.120 -3.786 -6.963 1.00 12.33 N ATOM 1549 CA LYS A 97 6.372 -4.902 -6.371 1.00 55.14 C ATOM 1550 C LYS A 97 7.132 -5.548 -5.200 1.00 34.34 C ATOM 1551 O LYS A 97 8.367 -5.620 -5.198 1.00 4.02 O ATOM 1552 CB LYS A 97 6.078 -5.975 -7.429 1.00 42.25 C ATOM 1553 CG LYS A 97 7.330 -6.510 -8.130 1.00 70.12 C ATOM 1554 CD LYS A 97 7.049 -7.794 -8.908 1.00 33.22 C ATOM 1555 CE LYS A 97 6.686 -8.945 -7.975 1.00 0.31 C ATOM 1556 NZ LYS A 97 6.466 -10.217 -8.715 1.00 2.23 N ATOM 0 H LYS A 97 7.382 -3.928 -7.938 1.00 12.33 H new ATOM 0 HA LYS A 97 5.438 -4.489 -5.990 1.00 55.14 H new ATOM 0 HB2 LYS A 97 5.555 -6.806 -6.955 1.00 42.25 H new ATOM 0 HB3 LYS A 97 5.403 -5.559 -8.177 1.00 42.25 H new ATOM 0 HG2 LYS A 97 7.716 -5.751 -8.811 1.00 70.12 H new ATOM 0 HG3 LYS A 97 8.107 -6.698 -7.389 1.00 70.12 H new ATOM 0 HD2 LYS A 97 6.234 -7.623 -9.611 1.00 33.22 H new ATOM 0 HD3 LYS A 97 7.926 -8.064 -9.496 1.00 33.22 H new ATOM 0 HE2 LYS A 97 7.483 -9.084 -7.245 1.00 0.31 H new ATOM 0 HE3 LYS A 97 5.784 -8.689 -7.418 1.00 0.31 H new ATOM 0 HZ1 LYS A 97 6.222 -10.972 -8.043 1.00 2.23 H new ATOM 0 HZ2 LYS A 97 5.688 -10.093 -9.394 1.00 2.23 H new ATOM 0 HZ3 LYS A 97 7.334 -10.476 -9.226 1.00 2.23 H new ATOM 1570 N TRP A 98 6.383 -6.012 -4.206 1.00 11.32 N ATOM 1571 CA TRP A 98 6.951 -6.762 -3.085 1.00 61.11 C ATOM 1572 C TRP A 98 6.869 -8.276 -3.340 1.00 61.44 C ATOM 1573 O TRP A 98 5.904 -8.770 -3.927 1.00 13.42 O ATOM 1574 CB TRP A 98 6.216 -6.400 -1.789 1.00 74.33 C ATOM 1575 CG TRP A 98 6.682 -7.171 -0.587 1.00 74.31 C ATOM 1576 CD1 TRP A 98 7.958 -7.569 -0.307 1.00 32.33 C ATOM 1577 CD2 TRP A 98 5.874 -7.628 0.501 1.00 40.13 C ATOM 1578 NE1 TRP A 98 7.992 -8.241 0.887 1.00 31.44 N ATOM 1579 CE2 TRP A 98 6.726 -8.288 1.405 1.00 50.33 C ATOM 1580 CE3 TRP A 98 4.512 -7.539 0.798 1.00 61.04 C ATOM 1581 CZ2 TRP A 98 6.258 -8.858 2.588 1.00 11.35 C ATOM 1582 CZ3 TRP A 98 4.050 -8.102 1.971 1.00 5.54 C ATOM 1583 CH2 TRP A 98 4.920 -8.754 2.854 1.00 24.04 C ATOM 0 H TRP A 98 5.373 -5.882 -4.151 1.00 11.32 H new ATOM 0 HA TRP A 98 8.002 -6.492 -2.986 1.00 61.11 H new ATOM 0 HB2 TRP A 98 6.343 -5.335 -1.596 1.00 74.33 H new ATOM 0 HB3 TRP A 98 5.149 -6.573 -1.928 1.00 74.33 H new ATOM 0 HD1 TRP A 98 8.816 -7.381 -0.935 1.00 32.33 H new ATOM 0 HE1 TRP A 98 8.825 -8.641 1.319 1.00 31.44 H new ATOM 0 HE3 TRP A 98 3.833 -7.039 0.123 1.00 61.04 H new ATOM 0 HZ2 TRP A 98 6.927 -9.363 3.269 1.00 11.35 H new ATOM 0 HZ3 TRP A 98 2.999 -8.039 2.212 1.00 5.54 H new ATOM 0 HH2 TRP A 98 4.527 -9.183 3.763 1.00 24.04 H new ATOM 1594 N GLN A 99 7.887 -9.011 -2.893 1.00 32.41 N ATOM 1595 CA GLN A 99 7.932 -10.462 -3.078 1.00 21.23 C ATOM 1596 C GLN A 99 8.102 -11.217 -1.743 1.00 70.20 C ATOM 1597 O GLN A 99 9.221 -11.511 -1.314 1.00 34.25 O ATOM 1598 CB GLN A 99 9.054 -10.828 -4.062 1.00 51.40 C ATOM 1599 CG GLN A 99 10.432 -10.297 -3.679 1.00 1.15 C ATOM 1600 CD GLN A 99 11.534 -10.759 -4.623 1.00 43.30 C ATOM 1601 OE1 GLN A 99 11.394 -11.948 -5.179 1.00 3.35 O flip ATOM 1602 NE2 GLN A 99 12.512 -10.050 -4.847 1.00 1.04 N flip ATOM 0 H GLN A 99 8.692 -8.625 -2.400 1.00 32.41 H new ATOM 0 HA GLN A 99 6.974 -10.774 -3.494 1.00 21.23 H new ATOM 0 HB2 GLN A 99 9.107 -11.914 -4.145 1.00 51.40 H new ATOM 0 HB3 GLN A 99 8.793 -10.446 -5.049 1.00 51.40 H new ATOM 0 HG2 GLN A 99 10.405 -9.207 -3.668 1.00 1.15 H new ATOM 0 HG3 GLN A 99 10.671 -10.620 -2.666 1.00 1.15 H new ATOM 0 HE21 GLN A 99 12.592 -9.136 -4.402 1.00 1.04 H new ATOM 0 HE22 GLN A 99 13.244 -10.376 -5.478 1.00 1.04 H new ATOM 1611 N PRO A 100 6.988 -11.522 -1.048 1.00 32.34 N ATOM 1612 CA PRO A 100 7.026 -12.305 0.194 1.00 71.10 C ATOM 1613 C PRO A 100 7.087 -13.828 -0.044 1.00 14.54 C ATOM 1614 O PRO A 100 8.072 -14.482 0.306 1.00 20.23 O ATOM 1615 CB PRO A 100 5.719 -11.906 0.888 1.00 64.24 C ATOM 1616 CG PRO A 100 4.776 -11.552 -0.220 1.00 11.42 C ATOM 1617 CD PRO A 100 5.617 -11.095 -1.394 1.00 33.30 C ATOM 0 HA PRO A 100 7.922 -12.098 0.779 1.00 71.10 H new ATOM 0 HB2 PRO A 100 5.328 -12.725 1.491 1.00 64.24 H new ATOM 0 HB3 PRO A 100 5.872 -11.061 1.559 1.00 64.24 H new ATOM 0 HG2 PRO A 100 4.166 -12.412 -0.495 1.00 11.42 H new ATOM 0 HG3 PRO A 100 4.092 -10.763 0.094 1.00 11.42 H new ATOM 0 HD2 PRO A 100 5.281 -11.551 -2.325 1.00 33.30 H new ATOM 0 HD3 PRO A 100 5.559 -10.015 -1.529 1.00 33.30 H new