USER MOD reduce.3.24.130724 H: found=0, std=0, add=937, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 937 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 90 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 94 GLN : amide:sc= -0.0455 X(o=-0.046,f=0.0077) USER MOD Set 2.1: A 32 TYR OH : rot 180:sc= -3.28! USER MOD Set 2.2: A 36 LYS NZ :NH3+ -164:sc= 1.93 (180deg=1.22) USER MOD Set 3.1: A 7 LYS NZ :NH3+ -113:sc= 0.605 (180deg=-1.4!) USER MOD Set 3.2: A 17 TYR OH : rot 120:sc= 0.175 USER MOD Single : A 1 MET CE :methyl -130:sc= -0.387 (180deg=-5.16!) USER MOD Single : A 1 MET N :NH3+ -163:sc= 1.07 (180deg=0.938) USER MOD Single : A 2 ASN : amide:sc= -0.186 X(o=-0.19,f=0) USER MOD Single : A 3 SER OG : rot -140:sc= 0 USER MOD Single : A 22 ASN : amide:sc=-0.00414 K(o=-0.0041,f=-0.96) USER MOD Single : A 25 HIS : no HD1:sc= 0.725 K(o=0.73,f=-5.5!) USER MOD Single : A 27 LYS NZ :NH3+ -153:sc= 1.19 (180deg=0.862) USER MOD Single : A 37 TYR OH : rot 150:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.115) USER MOD Single : A 45 THR OG1 : rot 33:sc= 0.374 USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 MET CE :methyl -135:sc= -0.179 (180deg=-2.81!) USER MOD Single : A 64 LYS NZ :NH3+ 170:sc= -0.0101 (180deg=-0.0998) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0.0262 USER MOD Single : A 67 ASN : amide:sc= -0.0124 X(o=-0.012,f=0) USER MOD Single : A 69 LYS NZ :NH3+ 160:sc= -0.0509 (180deg=-0.411) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ -149:sc= 1.14 (180deg=0.845) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ -178:sc= 1.2 (180deg=1.18) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 THR OG1 : rot -74:sc= 0.629 USER MOD Single : A 83 ASN : amide:sc= -0.449 X(o=-0.45,f=-0.37) USER MOD Single : A 88 THR OG1 : rot 134:sc= 1.02 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ 155:sc= -0.0819 (180deg=-0.613) USER MOD Single : A 98 LYS NZ :NH3+ -166:sc= -0.0204 (180deg=-0.22) USER MOD Single : A 99 LYS NZ :NH3+ 165:sc= -0.0348 (180deg=-0.293) USER MOD Single : A 102 THR OG1 : rot -18:sc= -2.83! USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 HIS : no HD1:sc= -0.367 X(o=-0.37,f=-0.038) USER MOD Single : A 107 HIS : no HD1:sc=-0.000819 X(o=-0.00082,f=0) USER MOD Single : A 108 HIS : no HD1:sc= -0.0747 X(o=-0.075,f=-0.078) USER MOD Single : A 109 HIS : no HE2:sc= 0.268 K(o=0.27,f=-1) USER MOD Single : A 110 HIS : no HD1:sc=-0.00484 X(o=-0.0048,f=0) USER MOD Single : A 111 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 80.556 -12.319 -2.105 1.00 0.00 N ATOM 2 CA MET A 1 80.129 -11.622 -3.340 1.00 0.00 C ATOM 3 C MET A 1 81.263 -11.601 -4.358 1.00 0.00 C ATOM 4 O MET A 1 82.434 -11.773 -4.005 1.00 0.00 O ATOM 5 CB MET A 1 79.698 -10.183 -3.024 1.00 0.00 C ATOM 6 CG MET A 1 80.855 -9.235 -2.728 1.00 0.00 C ATOM 7 SD MET A 1 81.846 -9.750 -1.311 1.00 0.00 S ATOM 8 CE MET A 1 83.173 -8.547 -1.369 1.00 0.00 C ATOM 0 H1 MET A 1 79.718 -12.581 -1.547 1.00 0.00 H new ATOM 0 H2 MET A 1 81.086 -13.177 -2.357 1.00 0.00 H new ATOM 0 H3 MET A 1 81.163 -11.689 -1.543 1.00 0.00 H new ATOM 0 HA MET A 1 79.281 -12.164 -3.759 1.00 0.00 H new ATOM 0 HB2 MET A 1 79.130 -9.792 -3.868 1.00 0.00 H new ATOM 0 HB3 MET A 1 79.026 -10.197 -2.166 1.00 0.00 H new ATOM 0 HG2 MET A 1 81.496 -9.168 -3.607 1.00 0.00 H new ATOM 0 HG3 MET A 1 80.460 -8.236 -2.544 1.00 0.00 H new ATOM 0 HE1 MET A 1 84.133 -9.061 -1.313 1.00 0.00 H new ATOM 0 HE2 MET A 1 83.115 -7.986 -2.302 1.00 0.00 H new ATOM 0 HE3 MET A 1 83.079 -7.861 -0.527 1.00 0.00 H new ATOM 20 N ASN A 2 80.912 -11.401 -5.619 1.00 0.00 N ATOM 21 CA ASN A 2 81.906 -11.272 -6.675 1.00 0.00 C ATOM 22 C ASN A 2 82.348 -9.825 -6.821 1.00 0.00 C ATOM 23 O ASN A 2 81.682 -8.908 -6.334 1.00 0.00 O ATOM 24 CB ASN A 2 81.350 -11.765 -8.014 1.00 0.00 C ATOM 25 CG ASN A 2 81.172 -13.267 -8.061 1.00 0.00 C ATOM 26 OD1 ASN A 2 80.113 -13.787 -7.712 1.00 0.00 O ATOM 27 ND2 ASN A 2 82.201 -13.973 -8.500 1.00 0.00 N ATOM 0 H ASN A 2 79.946 -11.324 -5.937 1.00 0.00 H new ATOM 0 HA ASN A 2 82.762 -11.886 -6.397 1.00 0.00 H new ATOM 0 HB2 ASN A 2 80.390 -11.284 -8.202 1.00 0.00 H new ATOM 0 HB3 ASN A 2 82.022 -11.459 -8.816 1.00 0.00 H new ATOM 0 HD21 ASN A 2 82.134 -14.989 -8.559 1.00 0.00 H new ATOM 0 HD22 ASN A 2 83.061 -13.501 -8.779 1.00 0.00 H new ATOM 34 N SER A 3 83.467 -9.625 -7.502 1.00 0.00 N ATOM 35 CA SER A 3 83.952 -8.288 -7.808 1.00 0.00 C ATOM 36 C SER A 3 82.998 -7.621 -8.796 1.00 0.00 C ATOM 37 O SER A 3 82.878 -6.395 -8.845 1.00 0.00 O ATOM 38 CB SER A 3 85.368 -8.363 -8.389 1.00 0.00 C ATOM 39 OG SER A 3 85.943 -7.076 -8.520 1.00 0.00 O ATOM 0 H SER A 3 84.059 -10.377 -7.855 1.00 0.00 H new ATOM 0 HA SER A 3 83.990 -7.694 -6.895 1.00 0.00 H new ATOM 0 HB2 SER A 3 85.995 -8.979 -7.744 1.00 0.00 H new ATOM 0 HB3 SER A 3 85.337 -8.850 -9.364 1.00 0.00 H new ATOM 0 HG SER A 3 86.444 -7.026 -9.361 1.00 0.00 H new ATOM 45 N GLU A 4 82.308 -8.460 -9.567 1.00 0.00 N ATOM 46 CA GLU A 4 81.285 -8.015 -10.505 1.00 0.00 C ATOM 47 C GLU A 4 80.265 -7.112 -9.815 1.00 0.00 C ATOM 48 O GLU A 4 79.915 -6.049 -10.328 1.00 0.00 O ATOM 49 CB GLU A 4 80.577 -9.232 -11.101 1.00 0.00 C ATOM 50 CG GLU A 4 79.400 -8.881 -11.991 1.00 0.00 C ATOM 51 CD GLU A 4 78.617 -10.101 -12.417 1.00 0.00 C ATOM 52 OE1 GLU A 4 77.854 -10.639 -11.591 1.00 0.00 O ATOM 53 OE2 GLU A 4 78.756 -10.526 -13.582 1.00 0.00 O ATOM 0 H GLU A 4 82.445 -9.471 -9.557 1.00 0.00 H new ATOM 0 HA GLU A 4 81.767 -7.442 -11.297 1.00 0.00 H new ATOM 0 HB2 GLU A 4 81.297 -9.813 -11.678 1.00 0.00 H new ATOM 0 HB3 GLU A 4 80.229 -9.872 -10.290 1.00 0.00 H new ATOM 0 HG2 GLU A 4 78.739 -8.195 -11.461 1.00 0.00 H new ATOM 0 HG3 GLU A 4 79.761 -8.357 -12.876 1.00 0.00 H new ATOM 60 N VAL A 5 79.816 -7.541 -8.638 1.00 0.00 N ATOM 61 CA VAL A 5 78.811 -6.811 -7.871 1.00 0.00 C ATOM 62 C VAL A 5 79.315 -5.418 -7.502 1.00 0.00 C ATOM 63 O VAL A 5 78.576 -4.432 -7.581 1.00 0.00 O ATOM 64 CB VAL A 5 78.443 -7.572 -6.580 1.00 0.00 C ATOM 65 CG1 VAL A 5 77.321 -6.868 -5.832 1.00 0.00 C ATOM 66 CG2 VAL A 5 78.060 -9.009 -6.902 1.00 0.00 C ATOM 0 H VAL A 5 80.137 -8.400 -8.191 1.00 0.00 H new ATOM 0 HA VAL A 5 77.925 -6.719 -8.499 1.00 0.00 H new ATOM 0 HB VAL A 5 79.319 -7.585 -5.931 1.00 0.00 H new ATOM 0 HG11 VAL A 5 77.082 -7.425 -4.926 1.00 0.00 H new ATOM 0 HG12 VAL A 5 77.638 -5.860 -5.564 1.00 0.00 H new ATOM 0 HG13 VAL A 5 76.438 -6.813 -6.468 1.00 0.00 H new ATOM 0 HG21 VAL A 5 77.803 -9.532 -5.981 1.00 0.00 H new ATOM 0 HG22 VAL A 5 77.202 -9.015 -7.574 1.00 0.00 H new ATOM 0 HG23 VAL A 5 78.900 -9.511 -7.382 1.00 0.00 H new ATOM 76 N ILE A 6 80.583 -5.352 -7.114 1.00 0.00 N ATOM 77 CA ILE A 6 81.208 -4.093 -6.735 1.00 0.00 C ATOM 78 C ILE A 6 81.286 -3.158 -7.938 1.00 0.00 C ATOM 79 O ILE A 6 81.009 -1.964 -7.827 1.00 0.00 O ATOM 80 CB ILE A 6 82.625 -4.318 -6.162 1.00 0.00 C ATOM 81 CG1 ILE A 6 82.576 -5.326 -5.009 1.00 0.00 C ATOM 82 CG2 ILE A 6 83.227 -3.001 -5.690 1.00 0.00 C ATOM 83 CD1 ILE A 6 83.936 -5.659 -4.432 1.00 0.00 C ATOM 0 H ILE A 6 81.201 -6.161 -7.054 1.00 0.00 H new ATOM 0 HA ILE A 6 80.592 -3.638 -5.960 1.00 0.00 H new ATOM 0 HB ILE A 6 83.258 -4.721 -6.952 1.00 0.00 H new ATOM 0 HG12 ILE A 6 81.943 -4.927 -4.216 1.00 0.00 H new ATOM 0 HG13 ILE A 6 82.106 -6.244 -5.361 1.00 0.00 H new ATOM 0 HG21 ILE A 6 84.225 -3.180 -5.290 1.00 0.00 H new ATOM 0 HG22 ILE A 6 83.291 -2.309 -6.530 1.00 0.00 H new ATOM 0 HG23 ILE A 6 82.596 -2.570 -4.912 1.00 0.00 H new ATOM 0 HD11 ILE A 6 83.821 -6.378 -3.621 1.00 0.00 H new ATOM 0 HD12 ILE A 6 84.566 -6.088 -5.211 1.00 0.00 H new ATOM 0 HD13 ILE A 6 84.401 -4.751 -4.048 1.00 0.00 H new ATOM 95 N LYS A 7 81.642 -3.721 -9.089 1.00 0.00 N ATOM 96 CA LYS A 7 81.708 -2.965 -10.337 1.00 0.00 C ATOM 97 C LYS A 7 80.377 -2.291 -10.645 1.00 0.00 C ATOM 98 O LYS A 7 80.338 -1.126 -11.036 1.00 0.00 O ATOM 99 CB LYS A 7 82.084 -3.883 -11.497 1.00 0.00 C ATOM 100 CG LYS A 7 83.544 -4.292 -11.518 1.00 0.00 C ATOM 101 CD LYS A 7 83.801 -5.327 -12.596 1.00 0.00 C ATOM 102 CE LYS A 7 85.284 -5.509 -12.852 1.00 0.00 C ATOM 103 NZ LYS A 7 85.882 -4.311 -13.496 1.00 0.00 N ATOM 0 H LYS A 7 81.891 -4.706 -9.184 1.00 0.00 H new ATOM 0 HA LYS A 7 82.472 -2.197 -10.215 1.00 0.00 H new ATOM 0 HB2 LYS A 7 81.467 -4.781 -11.450 1.00 0.00 H new ATOM 0 HB3 LYS A 7 81.845 -3.381 -12.435 1.00 0.00 H new ATOM 0 HG2 LYS A 7 84.169 -3.416 -11.693 1.00 0.00 H new ATOM 0 HG3 LYS A 7 83.827 -4.696 -10.546 1.00 0.00 H new ATOM 0 HD2 LYS A 7 83.363 -6.280 -12.298 1.00 0.00 H new ATOM 0 HD3 LYS A 7 83.306 -5.023 -13.519 1.00 0.00 H new ATOM 0 HE2 LYS A 7 85.794 -5.708 -11.910 1.00 0.00 H new ATOM 0 HE3 LYS A 7 85.439 -6.380 -13.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 86.181 -4.550 -14.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 85.177 -3.547 -13.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 86.707 -3.997 -12.946 1.00 0.00 H new ATOM 117 N GLU A 8 79.294 -3.037 -10.472 1.00 0.00 N ATOM 118 CA GLU A 8 77.956 -2.522 -10.730 1.00 0.00 C ATOM 119 C GLU A 8 77.635 -1.363 -9.787 1.00 0.00 C ATOM 120 O GLU A 8 77.078 -0.346 -10.199 1.00 0.00 O ATOM 121 CB GLU A 8 76.928 -3.643 -10.568 1.00 0.00 C ATOM 122 CG GLU A 8 77.193 -4.843 -11.464 1.00 0.00 C ATOM 123 CD GLU A 8 76.239 -5.991 -11.204 1.00 0.00 C ATOM 124 OE1 GLU A 8 76.499 -6.788 -10.278 1.00 0.00 O ATOM 125 OE2 GLU A 8 75.225 -6.101 -11.924 1.00 0.00 O ATOM 0 H GLU A 8 79.317 -4.005 -10.153 1.00 0.00 H new ATOM 0 HA GLU A 8 77.915 -2.149 -11.753 1.00 0.00 H new ATOM 0 HB2 GLU A 8 76.920 -3.970 -9.528 1.00 0.00 H new ATOM 0 HB3 GLU A 8 75.935 -3.249 -10.786 1.00 0.00 H new ATOM 0 HG2 GLU A 8 77.111 -4.537 -12.507 1.00 0.00 H new ATOM 0 HG3 GLU A 8 78.217 -5.185 -11.312 1.00 0.00 H new ATOM 132 N PHE A 9 78.020 -1.518 -8.524 1.00 0.00 N ATOM 133 CA PHE A 9 77.783 -0.496 -7.511 1.00 0.00 C ATOM 134 C PHE A 9 78.588 0.769 -7.815 1.00 0.00 C ATOM 135 O PHE A 9 78.061 1.880 -7.770 1.00 0.00 O ATOM 136 CB PHE A 9 78.152 -1.041 -6.125 1.00 0.00 C ATOM 137 CG PHE A 9 77.930 -0.066 -5.001 1.00 0.00 C ATOM 138 CD1 PHE A 9 76.670 0.104 -4.454 1.00 0.00 C ATOM 139 CD2 PHE A 9 78.985 0.674 -4.490 1.00 0.00 C ATOM 140 CE1 PHE A 9 76.465 0.994 -3.416 1.00 0.00 C ATOM 141 CE2 PHE A 9 78.786 1.567 -3.454 1.00 0.00 C ATOM 142 CZ PHE A 9 77.523 1.727 -2.916 1.00 0.00 C ATOM 0 H PHE A 9 78.501 -2.348 -8.176 1.00 0.00 H new ATOM 0 HA PHE A 9 76.725 -0.235 -7.522 1.00 0.00 H new ATOM 0 HB2 PHE A 9 77.566 -1.940 -5.933 1.00 0.00 H new ATOM 0 HB3 PHE A 9 79.200 -1.339 -6.131 1.00 0.00 H new ATOM 0 HD1 PHE A 9 75.838 -0.465 -4.842 1.00 0.00 H new ATOM 0 HD2 PHE A 9 79.974 0.551 -4.906 1.00 0.00 H new ATOM 0 HE1 PHE A 9 75.477 1.116 -2.996 1.00 0.00 H new ATOM 0 HE2 PHE A 9 79.616 2.139 -3.066 1.00 0.00 H new ATOM 0 HZ PHE A 9 77.364 2.424 -2.106 1.00 0.00 H new ATOM 152 N LEU A 10 79.861 0.588 -8.142 1.00 0.00 N ATOM 153 CA LEU A 10 80.753 1.710 -8.413 1.00 0.00 C ATOM 154 C LEU A 10 80.360 2.430 -9.700 1.00 0.00 C ATOM 155 O LEU A 10 80.491 3.652 -9.803 1.00 0.00 O ATOM 156 CB LEU A 10 82.203 1.228 -8.502 1.00 0.00 C ATOM 157 CG LEU A 10 82.751 0.582 -7.227 1.00 0.00 C ATOM 158 CD1 LEU A 10 84.171 0.089 -7.445 1.00 0.00 C ATOM 159 CD2 LEU A 10 82.703 1.565 -6.067 1.00 0.00 C ATOM 0 H LEU A 10 80.301 -0.328 -8.226 1.00 0.00 H new ATOM 0 HA LEU A 10 80.663 2.416 -7.588 1.00 0.00 H new ATOM 0 HB2 LEU A 10 82.281 0.509 -9.318 1.00 0.00 H new ATOM 0 HB3 LEU A 10 82.836 2.076 -8.762 1.00 0.00 H new ATOM 0 HG LEU A 10 82.123 -0.274 -6.981 1.00 0.00 H new ATOM 0 HD11 LEU A 10 84.543 -0.367 -6.527 1.00 0.00 H new ATOM 0 HD12 LEU A 10 84.181 -0.649 -8.247 1.00 0.00 H new ATOM 0 HD13 LEU A 10 84.810 0.929 -7.718 1.00 0.00 H new ATOM 0 HD21 LEU A 10 83.096 1.088 -5.169 1.00 0.00 H new ATOM 0 HD22 LEU A 10 83.306 2.441 -6.307 1.00 0.00 H new ATOM 0 HD23 LEU A 10 81.672 1.872 -5.892 1.00 0.00 H new ATOM 171 N GLU A 11 79.867 1.668 -10.668 1.00 0.00 N ATOM 172 CA GLU A 11 79.443 2.225 -11.945 1.00 0.00 C ATOM 173 C GLU A 11 78.214 3.113 -11.754 1.00 0.00 C ATOM 174 O GLU A 11 78.047 4.120 -12.444 1.00 0.00 O ATOM 175 CB GLU A 11 79.138 1.092 -12.930 1.00 0.00 C ATOM 176 CG GLU A 11 78.908 1.555 -14.359 1.00 0.00 C ATOM 177 CD GLU A 11 78.632 0.402 -15.301 1.00 0.00 C ATOM 178 OE1 GLU A 11 79.597 -0.187 -15.834 1.00 0.00 O ATOM 179 OE2 GLU A 11 77.450 0.076 -15.513 1.00 0.00 O ATOM 0 H GLU A 11 79.751 0.658 -10.592 1.00 0.00 H new ATOM 0 HA GLU A 11 80.249 2.837 -12.351 1.00 0.00 H new ATOM 0 HB2 GLU A 11 79.966 0.383 -12.918 1.00 0.00 H new ATOM 0 HB3 GLU A 11 78.253 0.555 -12.587 1.00 0.00 H new ATOM 0 HG2 GLU A 11 78.068 2.249 -14.383 1.00 0.00 H new ATOM 0 HG3 GLU A 11 79.784 2.103 -14.706 1.00 0.00 H new ATOM 186 N ASP A 12 77.365 2.737 -10.805 1.00 0.00 N ATOM 187 CA ASP A 12 76.168 3.509 -10.496 1.00 0.00 C ATOM 188 C ASP A 12 76.535 4.891 -9.970 1.00 0.00 C ATOM 189 O ASP A 12 76.094 5.907 -10.510 1.00 0.00 O ATOM 190 CB ASP A 12 75.305 2.775 -9.465 1.00 0.00 C ATOM 191 CG ASP A 12 74.081 3.573 -9.053 1.00 0.00 C ATOM 192 OD1 ASP A 12 74.187 4.407 -8.131 1.00 0.00 O ATOM 193 OD2 ASP A 12 73.000 3.362 -9.642 1.00 0.00 O ATOM 0 H ASP A 12 77.484 1.900 -10.235 1.00 0.00 H new ATOM 0 HA ASP A 12 75.598 3.625 -11.418 1.00 0.00 H new ATOM 0 HB2 ASP A 12 74.988 1.818 -9.878 1.00 0.00 H new ATOM 0 HB3 ASP A 12 75.906 2.558 -8.582 1.00 0.00 H new ATOM 198 N ILE A 13 77.348 4.924 -8.921 1.00 0.00 N ATOM 199 CA ILE A 13 77.727 6.182 -8.290 1.00 0.00 C ATOM 200 C ILE A 13 78.646 7.012 -9.190 1.00 0.00 C ATOM 201 O ILE A 13 78.506 8.230 -9.273 1.00 0.00 O ATOM 202 CB ILE A 13 78.391 5.960 -6.913 1.00 0.00 C ATOM 203 CG1 ILE A 13 79.537 4.946 -7.013 1.00 0.00 C ATOM 204 CG2 ILE A 13 77.352 5.494 -5.901 1.00 0.00 C ATOM 205 CD1 ILE A 13 80.264 4.705 -5.707 1.00 0.00 C ATOM 0 H ILE A 13 77.757 4.095 -8.490 1.00 0.00 H new ATOM 0 HA ILE A 13 76.803 6.739 -8.135 1.00 0.00 H new ATOM 0 HB ILE A 13 78.811 6.908 -6.576 1.00 0.00 H new ATOM 0 HG12 ILE A 13 79.139 3.998 -7.375 1.00 0.00 H new ATOM 0 HG13 ILE A 13 80.254 5.296 -7.756 1.00 0.00 H new ATOM 0 HG21 ILE A 13 77.830 5.340 -4.933 1.00 0.00 H new ATOM 0 HG22 ILE A 13 76.573 6.250 -5.805 1.00 0.00 H new ATOM 0 HG23 ILE A 13 76.909 4.558 -6.240 1.00 0.00 H new ATOM 0 HD11 ILE A 13 81.059 3.976 -5.862 1.00 0.00 H new ATOM 0 HD12 ILE A 13 80.694 5.641 -5.352 1.00 0.00 H new ATOM 0 HD13 ILE A 13 79.562 4.324 -4.965 1.00 0.00 H new ATOM 217 N GLY A 14 79.569 6.351 -9.874 1.00 0.00 N ATOM 218 CA GLY A 14 80.444 7.051 -10.795 1.00 0.00 C ATOM 219 C GLY A 14 81.770 7.433 -10.170 1.00 0.00 C ATOM 220 O GLY A 14 82.446 8.351 -10.638 1.00 0.00 O ATOM 0 H GLY A 14 79.728 5.346 -9.809 1.00 0.00 H new ATOM 0 HA2 GLY A 14 80.626 6.421 -11.666 1.00 0.00 H new ATOM 0 HA3 GLY A 14 79.943 7.951 -11.152 1.00 0.00 H new ATOM 224 N GLU A 15 82.142 6.739 -9.106 1.00 0.00 N ATOM 225 CA GLU A 15 83.435 6.958 -8.476 1.00 0.00 C ATOM 226 C GLU A 15 84.496 6.119 -9.168 1.00 0.00 C ATOM 227 O GLU A 15 84.311 4.920 -9.380 1.00 0.00 O ATOM 228 CB GLU A 15 83.380 6.628 -6.984 1.00 0.00 C ATOM 229 CG GLU A 15 82.703 7.702 -6.146 1.00 0.00 C ATOM 230 CD GLU A 15 83.464 9.015 -6.161 1.00 0.00 C ATOM 231 OE1 GLU A 15 84.439 9.156 -5.392 1.00 0.00 O ATOM 232 OE2 GLU A 15 83.096 9.912 -6.944 1.00 0.00 O ATOM 0 H GLU A 15 81.569 6.021 -8.661 1.00 0.00 H new ATOM 0 HA GLU A 15 83.695 8.012 -8.576 1.00 0.00 H new ATOM 0 HB2 GLU A 15 82.850 5.685 -6.848 1.00 0.00 H new ATOM 0 HB3 GLU A 15 84.395 6.478 -6.616 1.00 0.00 H new ATOM 0 HG2 GLU A 15 81.692 7.867 -6.520 1.00 0.00 H new ATOM 0 HG3 GLU A 15 82.609 7.351 -5.118 1.00 0.00 H new ATOM 239 N ASP A 16 85.595 6.759 -9.530 1.00 0.00 N ATOM 240 CA ASP A 16 86.661 6.099 -10.273 1.00 0.00 C ATOM 241 C ASP A 16 87.385 5.070 -9.423 1.00 0.00 C ATOM 242 O ASP A 16 87.916 5.390 -8.359 1.00 0.00 O ATOM 243 CB ASP A 16 87.674 7.121 -10.792 1.00 0.00 C ATOM 244 CG ASP A 16 87.146 7.937 -11.949 1.00 0.00 C ATOM 245 OD1 ASP A 16 87.242 7.465 -13.099 1.00 0.00 O ATOM 246 OD2 ASP A 16 86.646 9.061 -11.715 1.00 0.00 O ATOM 0 H ASP A 16 85.775 7.741 -9.321 1.00 0.00 H new ATOM 0 HA ASP A 16 86.192 5.589 -11.114 1.00 0.00 H new ATOM 0 HB2 ASP A 16 87.955 7.791 -9.980 1.00 0.00 H new ATOM 0 HB3 ASP A 16 88.580 6.601 -11.104 1.00 0.00 H new ATOM 251 N TYR A 17 87.400 3.834 -9.891 1.00 0.00 N ATOM 252 CA TYR A 17 88.211 2.808 -9.268 1.00 0.00 C ATOM 253 C TYR A 17 89.317 2.397 -10.228 1.00 0.00 C ATOM 254 O TYR A 17 89.076 2.206 -11.422 1.00 0.00 O ATOM 255 CB TYR A 17 87.365 1.599 -8.836 1.00 0.00 C ATOM 256 CG TYR A 17 86.796 0.750 -9.958 1.00 0.00 C ATOM 257 CD1 TYR A 17 85.583 1.067 -10.561 1.00 0.00 C ATOM 258 CD2 TYR A 17 87.460 -0.393 -10.389 1.00 0.00 C ATOM 259 CE1 TYR A 17 85.056 0.272 -11.563 1.00 0.00 C ATOM 260 CE2 TYR A 17 86.937 -1.192 -11.384 1.00 0.00 C ATOM 261 CZ TYR A 17 85.738 -0.857 -11.970 1.00 0.00 C ATOM 262 OH TYR A 17 85.210 -1.664 -12.953 1.00 0.00 O ATOM 0 H TYR A 17 86.861 3.519 -10.698 1.00 0.00 H new ATOM 0 HA TYR A 17 88.657 3.213 -8.360 1.00 0.00 H new ATOM 0 HB2 TYR A 17 87.978 0.961 -8.199 1.00 0.00 H new ATOM 0 HB3 TYR A 17 86.538 1.959 -8.225 1.00 0.00 H new ATOM 0 HD1 TYR A 17 85.045 1.947 -10.242 1.00 0.00 H new ATOM 0 HD2 TYR A 17 88.403 -0.660 -9.936 1.00 0.00 H new ATOM 0 HE1 TYR A 17 84.115 0.533 -12.025 1.00 0.00 H new ATOM 0 HE2 TYR A 17 87.467 -2.078 -11.702 1.00 0.00 H new ATOM 0 HH TYR A 17 85.830 -1.705 -13.711 1.00 0.00 H new ATOM 272 N ILE A 18 90.530 2.301 -9.718 1.00 0.00 N ATOM 273 CA ILE A 18 91.670 1.953 -10.545 1.00 0.00 C ATOM 274 C ILE A 18 91.857 0.445 -10.568 1.00 0.00 C ATOM 275 O ILE A 18 92.470 -0.132 -9.666 1.00 0.00 O ATOM 276 CB ILE A 18 92.966 2.626 -10.048 1.00 0.00 C ATOM 277 CG1 ILE A 18 92.770 4.140 -9.944 1.00 0.00 C ATOM 278 CG2 ILE A 18 94.125 2.299 -10.980 1.00 0.00 C ATOM 279 CD1 ILE A 18 93.977 4.870 -9.400 1.00 0.00 C ATOM 0 H ILE A 18 90.752 2.459 -8.735 1.00 0.00 H new ATOM 0 HA ILE A 18 91.466 2.316 -11.552 1.00 0.00 H new ATOM 0 HB ILE A 18 93.203 2.239 -9.057 1.00 0.00 H new ATOM 0 HG12 ILE A 18 92.531 4.536 -10.931 1.00 0.00 H new ATOM 0 HG13 ILE A 18 91.913 4.344 -9.302 1.00 0.00 H new ATOM 0 HG21 ILE A 18 95.032 2.781 -10.616 1.00 0.00 H new ATOM 0 HG22 ILE A 18 94.275 1.220 -11.010 1.00 0.00 H new ATOM 0 HG23 ILE A 18 93.899 2.662 -11.983 1.00 0.00 H new ATOM 0 HD11 ILE A 18 93.766 5.938 -9.354 1.00 0.00 H new ATOM 0 HD12 ILE A 18 94.204 4.502 -8.400 1.00 0.00 H new ATOM 0 HD13 ILE A 18 94.832 4.697 -10.053 1.00 0.00 H new ATOM 291 N GLU A 19 91.298 -0.193 -11.581 1.00 0.00 N ATOM 292 CA GLU A 19 91.417 -1.630 -11.719 1.00 0.00 C ATOM 293 C GLU A 19 92.713 -1.994 -12.426 1.00 0.00 C ATOM 294 O GLU A 19 92.887 -1.734 -13.617 1.00 0.00 O ATOM 295 CB GLU A 19 90.220 -2.214 -12.468 1.00 0.00 C ATOM 296 CG GLU A 19 90.292 -3.725 -12.629 1.00 0.00 C ATOM 297 CD GLU A 19 88.992 -4.324 -13.115 1.00 0.00 C ATOM 298 OE1 GLU A 19 88.754 -4.344 -14.342 1.00 0.00 O ATOM 299 OE2 GLU A 19 88.197 -4.777 -12.273 1.00 0.00 O ATOM 0 H GLU A 19 90.759 0.262 -12.318 1.00 0.00 H new ATOM 0 HA GLU A 19 91.432 -2.061 -10.718 1.00 0.00 H new ATOM 0 HB2 GLU A 19 89.305 -1.955 -11.935 1.00 0.00 H new ATOM 0 HB3 GLU A 19 90.156 -1.753 -13.454 1.00 0.00 H new ATOM 0 HG2 GLU A 19 91.087 -3.974 -13.332 1.00 0.00 H new ATOM 0 HG3 GLU A 19 90.560 -4.175 -11.673 1.00 0.00 H new ATOM 306 N LEU A 20 93.623 -2.565 -11.665 1.00 0.00 N ATOM 307 CA LEU A 20 94.868 -3.079 -12.192 1.00 0.00 C ATOM 308 C LEU A 20 94.755 -4.590 -12.324 1.00 0.00 C ATOM 309 O LEU A 20 93.647 -5.131 -12.313 1.00 0.00 O ATOM 310 CB LEU A 20 96.025 -2.706 -11.260 1.00 0.00 C ATOM 311 CG LEU A 20 96.224 -1.205 -11.035 1.00 0.00 C ATOM 312 CD1 LEU A 20 97.377 -0.959 -10.073 1.00 0.00 C ATOM 313 CD2 LEU A 20 96.473 -0.494 -12.358 1.00 0.00 C ATOM 0 H LEU A 20 93.518 -2.686 -10.658 1.00 0.00 H new ATOM 0 HA LEU A 20 95.067 -2.643 -13.171 1.00 0.00 H new ATOM 0 HB2 LEU A 20 95.860 -3.183 -10.294 1.00 0.00 H new ATOM 0 HB3 LEU A 20 96.947 -3.121 -11.667 1.00 0.00 H new ATOM 0 HG LEU A 20 95.313 -0.800 -10.593 1.00 0.00 H new ATOM 0 HD11 LEU A 20 97.504 0.113 -9.924 1.00 0.00 H new ATOM 0 HD12 LEU A 20 97.161 -1.435 -9.116 1.00 0.00 H new ATOM 0 HD13 LEU A 20 98.293 -1.379 -10.488 1.00 0.00 H new ATOM 0 HD21 LEU A 20 96.612 0.572 -12.178 1.00 0.00 H new ATOM 0 HD22 LEU A 20 97.368 -0.902 -12.828 1.00 0.00 H new ATOM 0 HD23 LEU A 20 95.618 -0.642 -13.017 1.00 0.00 H new ATOM 325 N GLU A 21 95.883 -5.276 -12.433 1.00 0.00 N ATOM 326 CA GLU A 21 95.880 -6.724 -12.563 1.00 0.00 C ATOM 327 C GLU A 21 95.360 -7.379 -11.281 1.00 0.00 C ATOM 328 O GLU A 21 96.104 -7.550 -10.314 1.00 0.00 O ATOM 329 CB GLU A 21 97.282 -7.231 -12.898 1.00 0.00 C ATOM 330 CG GLU A 21 97.349 -8.728 -13.141 1.00 0.00 C ATOM 331 CD GLU A 21 98.712 -9.174 -13.620 1.00 0.00 C ATOM 332 OE1 GLU A 21 98.937 -9.184 -14.846 1.00 0.00 O ATOM 333 OE2 GLU A 21 99.565 -9.525 -12.774 1.00 0.00 O ATOM 0 H GLU A 21 96.811 -4.853 -12.434 1.00 0.00 H new ATOM 0 HA GLU A 21 95.211 -6.997 -13.379 1.00 0.00 H new ATOM 0 HB2 GLU A 21 97.644 -6.712 -13.785 1.00 0.00 H new ATOM 0 HB3 GLU A 21 97.956 -6.974 -12.081 1.00 0.00 H new ATOM 0 HG2 GLU A 21 97.101 -9.254 -12.219 1.00 0.00 H new ATOM 0 HG3 GLU A 21 96.598 -9.007 -13.880 1.00 0.00 H new ATOM 340 N ASN A 22 94.065 -7.700 -11.282 1.00 0.00 N ATOM 341 CA ASN A 22 93.401 -8.348 -10.146 1.00 0.00 C ATOM 342 C ASN A 22 93.372 -7.440 -8.917 1.00 0.00 C ATOM 343 O ASN A 22 93.183 -7.911 -7.798 1.00 0.00 O ATOM 344 CB ASN A 22 94.076 -9.677 -9.788 1.00 0.00 C ATOM 345 CG ASN A 22 93.854 -10.752 -10.832 1.00 0.00 C ATOM 346 OD1 ASN A 22 92.828 -10.777 -11.514 1.00 0.00 O ATOM 347 ND2 ASN A 22 94.810 -11.659 -10.961 1.00 0.00 N ATOM 0 H ASN A 22 93.445 -7.518 -12.071 1.00 0.00 H new ATOM 0 HA ASN A 22 92.375 -8.546 -10.455 1.00 0.00 H new ATOM 0 HB2 ASN A 22 95.147 -9.513 -9.665 1.00 0.00 H new ATOM 0 HB3 ASN A 22 93.694 -10.025 -8.828 1.00 0.00 H new ATOM 0 HD21 ASN A 22 94.711 -12.411 -11.643 1.00 0.00 H new ATOM 0 HD22 ASN A 22 95.646 -11.606 -10.378 1.00 0.00 H new ATOM 354 N GLU A 23 93.536 -6.144 -9.131 1.00 0.00 N ATOM 355 CA GLU A 23 93.563 -5.194 -8.024 1.00 0.00 C ATOM 356 C GLU A 23 92.702 -3.975 -8.311 1.00 0.00 C ATOM 357 O GLU A 23 93.014 -3.179 -9.189 1.00 0.00 O ATOM 358 CB GLU A 23 94.993 -4.731 -7.745 1.00 0.00 C ATOM 359 CG GLU A 23 95.855 -5.758 -7.039 1.00 0.00 C ATOM 360 CD GLU A 23 97.262 -5.253 -6.811 1.00 0.00 C ATOM 361 OE1 GLU A 23 97.429 -4.034 -6.581 1.00 0.00 O ATOM 362 OE2 GLU A 23 98.208 -6.063 -6.881 1.00 0.00 O ATOM 0 H GLU A 23 93.652 -5.725 -10.054 1.00 0.00 H new ATOM 0 HA GLU A 23 93.164 -5.711 -7.152 1.00 0.00 H new ATOM 0 HB2 GLU A 23 95.467 -4.464 -8.690 1.00 0.00 H new ATOM 0 HB3 GLU A 23 94.958 -3.826 -7.139 1.00 0.00 H new ATOM 0 HG2 GLU A 23 95.402 -6.015 -6.082 1.00 0.00 H new ATOM 0 HG3 GLU A 23 95.889 -6.672 -7.632 1.00 0.00 H new ATOM 369 N ILE A 24 91.640 -3.812 -7.546 1.00 0.00 N ATOM 370 CA ILE A 24 90.824 -2.616 -7.634 1.00 0.00 C ATOM 371 C ILE A 24 91.289 -1.612 -6.591 1.00 0.00 C ATOM 372 O ILE A 24 90.998 -1.750 -5.408 1.00 0.00 O ATOM 373 CB ILE A 24 89.318 -2.914 -7.441 1.00 0.00 C ATOM 374 CG1 ILE A 24 88.782 -3.720 -8.629 1.00 0.00 C ATOM 375 CG2 ILE A 24 88.523 -1.623 -7.271 1.00 0.00 C ATOM 376 CD1 ILE A 24 87.304 -4.040 -8.531 1.00 0.00 C ATOM 0 H ILE A 24 91.322 -4.493 -6.856 1.00 0.00 H new ATOM 0 HA ILE A 24 90.945 -2.205 -8.636 1.00 0.00 H new ATOM 0 HB ILE A 24 89.200 -3.505 -6.533 1.00 0.00 H new ATOM 0 HG12 ILE A 24 88.964 -3.161 -9.547 1.00 0.00 H new ATOM 0 HG13 ILE A 24 89.342 -4.652 -8.707 1.00 0.00 H new ATOM 0 HG21 ILE A 24 87.468 -1.861 -7.137 1.00 0.00 H new ATOM 0 HG22 ILE A 24 88.887 -1.084 -6.397 1.00 0.00 H new ATOM 0 HG23 ILE A 24 88.645 -1.001 -8.158 1.00 0.00 H new ATOM 0 HD11 ILE A 24 86.997 -4.612 -9.407 1.00 0.00 H new ATOM 0 HD12 ILE A 24 87.118 -4.626 -7.631 1.00 0.00 H new ATOM 0 HD13 ILE A 24 86.733 -3.113 -8.485 1.00 0.00 H new ATOM 388 N HIS A 25 92.051 -0.627 -7.029 1.00 0.00 N ATOM 389 CA HIS A 25 92.514 0.422 -6.135 1.00 0.00 C ATOM 390 C HIS A 25 91.446 1.497 -6.028 1.00 0.00 C ATOM 391 O HIS A 25 91.212 2.252 -6.974 1.00 0.00 O ATOM 392 CB HIS A 25 93.848 1.009 -6.613 1.00 0.00 C ATOM 393 CG HIS A 25 95.015 0.079 -6.437 1.00 0.00 C ATOM 394 ND1 HIS A 25 96.127 0.396 -5.685 1.00 0.00 N ATOM 395 CD2 HIS A 25 95.238 -1.169 -6.921 1.00 0.00 C ATOM 396 CE1 HIS A 25 96.981 -0.612 -5.716 1.00 0.00 C ATOM 397 NE2 HIS A 25 96.465 -1.574 -6.457 1.00 0.00 N ATOM 0 H HIS A 25 92.363 -0.530 -7.995 1.00 0.00 H new ATOM 0 HA HIS A 25 92.689 -0.004 -5.147 1.00 0.00 H new ATOM 0 HB2 HIS A 25 93.761 1.274 -7.667 1.00 0.00 H new ATOM 0 HB3 HIS A 25 94.045 1.932 -6.068 1.00 0.00 H new ATOM 0 HD2 HIS A 25 94.573 -1.738 -7.554 1.00 0.00 H new ATOM 0 HE1 HIS A 25 97.939 -0.643 -5.219 1.00 0.00 H new ATOM 0 HE2 HIS A 25 96.906 -2.473 -6.653 1.00 0.00 H new ATOM 406 N LEU A 26 90.782 1.538 -4.888 1.00 0.00 N ATOM 407 CA LEU A 26 89.664 2.442 -4.682 1.00 0.00 C ATOM 408 C LEU A 26 90.098 3.727 -4.006 1.00 0.00 C ATOM 409 O LEU A 26 91.229 3.854 -3.533 1.00 0.00 O ATOM 410 CB LEU A 26 88.572 1.776 -3.844 1.00 0.00 C ATOM 411 CG LEU A 26 87.438 1.125 -4.639 1.00 0.00 C ATOM 412 CD1 LEU A 26 86.451 0.449 -3.699 1.00 0.00 C ATOM 413 CD2 LEU A 26 86.726 2.164 -5.489 1.00 0.00 C ATOM 0 H LEU A 26 91.000 0.950 -4.083 1.00 0.00 H new ATOM 0 HA LEU A 26 89.268 2.685 -5.668 1.00 0.00 H new ATOM 0 HB2 LEU A 26 89.034 1.016 -3.214 1.00 0.00 H new ATOM 0 HB3 LEU A 26 88.143 2.524 -3.177 1.00 0.00 H new ATOM 0 HG LEU A 26 87.866 0.368 -5.297 1.00 0.00 H new ATOM 0 HD11 LEU A 26 85.651 -0.009 -4.280 1.00 0.00 H new ATOM 0 HD12 LEU A 26 86.966 -0.319 -3.122 1.00 0.00 H new ATOM 0 HD13 LEU A 26 86.028 1.190 -3.021 1.00 0.00 H new ATOM 0 HD21 LEU A 26 85.922 1.687 -6.049 1.00 0.00 H new ATOM 0 HD22 LEU A 26 86.310 2.938 -4.844 1.00 0.00 H new ATOM 0 HD23 LEU A 26 87.435 2.613 -6.184 1.00 0.00 H new ATOM 425 N LYS A 27 89.183 4.677 -3.979 1.00 0.00 N ATOM 426 CA LYS A 27 89.386 5.932 -3.287 1.00 0.00 C ATOM 427 C LYS A 27 88.963 5.762 -1.834 1.00 0.00 C ATOM 428 O LYS A 27 87.927 5.148 -1.568 1.00 0.00 O ATOM 429 CB LYS A 27 88.558 7.023 -3.970 1.00 0.00 C ATOM 430 CG LYS A 27 88.780 7.086 -5.475 1.00 0.00 C ATOM 431 CD LYS A 27 87.689 7.876 -6.185 1.00 0.00 C ATOM 432 CE LYS A 27 87.752 9.356 -5.856 1.00 0.00 C ATOM 433 NZ LYS A 27 86.657 10.113 -6.513 1.00 0.00 N ATOM 0 H LYS A 27 88.276 4.598 -4.438 1.00 0.00 H new ATOM 0 HA LYS A 27 90.436 6.223 -3.320 1.00 0.00 H new ATOM 0 HB2 LYS A 27 87.501 6.846 -3.772 1.00 0.00 H new ATOM 0 HB3 LYS A 27 88.808 7.989 -3.531 1.00 0.00 H new ATOM 0 HG2 LYS A 27 89.748 7.543 -5.679 1.00 0.00 H new ATOM 0 HG3 LYS A 27 88.814 6.074 -5.878 1.00 0.00 H new ATOM 0 HD2 LYS A 27 87.786 7.740 -7.262 1.00 0.00 H new ATOM 0 HD3 LYS A 27 86.713 7.483 -5.900 1.00 0.00 H new ATOM 0 HE2 LYS A 27 87.691 9.491 -4.776 1.00 0.00 H new ATOM 0 HE3 LYS A 27 88.714 9.759 -6.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 86.957 11.097 -6.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 86.434 9.675 -7.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 85.812 10.097 -5.907 1.00 0.00 H new ATOM 447 N PRO A 28 89.761 6.274 -0.878 1.00 0.00 N ATOM 448 CA PRO A 28 89.490 6.134 0.560 1.00 0.00 C ATOM 449 C PRO A 28 88.044 6.454 0.935 1.00 0.00 C ATOM 450 O PRO A 28 87.425 5.729 1.712 1.00 0.00 O ATOM 451 CB PRO A 28 90.446 7.145 1.194 1.00 0.00 C ATOM 452 CG PRO A 28 91.592 7.208 0.248 1.00 0.00 C ATOM 453 CD PRO A 28 91.007 7.022 -1.127 1.00 0.00 C ATOM 0 HA PRO A 28 89.635 5.108 0.898 1.00 0.00 H new ATOM 0 HB2 PRO A 28 89.973 8.120 1.312 1.00 0.00 H new ATOM 0 HB3 PRO A 28 90.765 6.823 2.185 1.00 0.00 H new ATOM 0 HG2 PRO A 28 92.110 8.164 0.326 1.00 0.00 H new ATOM 0 HG3 PRO A 28 92.323 6.431 0.469 1.00 0.00 H new ATOM 0 HD2 PRO A 28 90.810 7.978 -1.611 1.00 0.00 H new ATOM 0 HD3 PRO A 28 91.683 6.468 -1.778 1.00 0.00 H new ATOM 461 N GLU A 29 87.516 7.533 0.363 1.00 0.00 N ATOM 462 CA GLU A 29 86.135 7.948 0.607 1.00 0.00 C ATOM 463 C GLU A 29 85.158 6.825 0.253 1.00 0.00 C ATOM 464 O GLU A 29 84.231 6.525 1.003 1.00 0.00 O ATOM 465 CB GLU A 29 85.811 9.183 -0.237 1.00 0.00 C ATOM 466 CG GLU A 29 84.467 9.820 0.083 1.00 0.00 C ATOM 467 CD GLU A 29 84.536 10.761 1.266 1.00 0.00 C ATOM 468 OE1 GLU A 29 84.914 11.934 1.064 1.00 0.00 O ATOM 469 OE2 GLU A 29 84.220 10.341 2.398 1.00 0.00 O ATOM 0 H GLU A 29 88.027 8.140 -0.277 1.00 0.00 H new ATOM 0 HA GLU A 29 86.030 8.183 1.666 1.00 0.00 H new ATOM 0 HB2 GLU A 29 86.596 9.925 -0.092 1.00 0.00 H new ATOM 0 HB3 GLU A 29 85.827 8.904 -1.291 1.00 0.00 H new ATOM 0 HG2 GLU A 29 84.111 10.366 -0.791 1.00 0.00 H new ATOM 0 HG3 GLU A 29 83.738 9.037 0.289 1.00 0.00 H new ATOM 476 N VAL A 30 85.395 6.200 -0.891 1.00 0.00 N ATOM 477 CA VAL A 30 84.502 5.174 -1.410 1.00 0.00 C ATOM 478 C VAL A 30 84.696 3.862 -0.662 1.00 0.00 C ATOM 479 O VAL A 30 83.730 3.228 -0.243 1.00 0.00 O ATOM 480 CB VAL A 30 84.747 4.937 -2.915 1.00 0.00 C ATOM 481 CG1 VAL A 30 83.665 4.048 -3.505 1.00 0.00 C ATOM 482 CG2 VAL A 30 84.820 6.260 -3.658 1.00 0.00 C ATOM 0 H VAL A 30 86.205 6.388 -1.482 1.00 0.00 H new ATOM 0 HA VAL A 30 83.481 5.526 -1.265 1.00 0.00 H new ATOM 0 HB VAL A 30 85.703 4.426 -3.029 1.00 0.00 H new ATOM 0 HG11 VAL A 30 83.859 3.895 -4.567 1.00 0.00 H new ATOM 0 HG12 VAL A 30 83.666 3.085 -2.993 1.00 0.00 H new ATOM 0 HG13 VAL A 30 82.693 4.525 -3.379 1.00 0.00 H new ATOM 0 HG21 VAL A 30 84.993 6.073 -4.718 1.00 0.00 H new ATOM 0 HG22 VAL A 30 83.881 6.800 -3.533 1.00 0.00 H new ATOM 0 HG23 VAL A 30 85.638 6.858 -3.257 1.00 0.00 H new ATOM 492 N PHE A 31 85.955 3.474 -0.490 1.00 0.00 N ATOM 493 CA PHE A 31 86.308 2.236 0.204 1.00 0.00 C ATOM 494 C PHE A 31 85.712 2.221 1.606 1.00 0.00 C ATOM 495 O PHE A 31 85.242 1.189 2.087 1.00 0.00 O ATOM 496 CB PHE A 31 87.833 2.110 0.272 1.00 0.00 C ATOM 497 CG PHE A 31 88.327 0.851 0.929 1.00 0.00 C ATOM 498 CD1 PHE A 31 88.393 -0.335 0.218 1.00 0.00 C ATOM 499 CD2 PHE A 31 88.740 0.858 2.251 1.00 0.00 C ATOM 500 CE1 PHE A 31 88.862 -1.488 0.813 1.00 0.00 C ATOM 501 CE2 PHE A 31 89.208 -0.294 2.853 1.00 0.00 C ATOM 502 CZ PHE A 31 89.270 -1.469 2.132 1.00 0.00 C ATOM 0 H PHE A 31 86.759 4.005 -0.826 1.00 0.00 H new ATOM 0 HA PHE A 31 85.900 1.388 -0.347 1.00 0.00 H new ATOM 0 HB2 PHE A 31 88.234 2.158 -0.740 1.00 0.00 H new ATOM 0 HB3 PHE A 31 88.232 2.968 0.814 1.00 0.00 H new ATOM 0 HD1 PHE A 31 88.074 -0.358 -0.814 1.00 0.00 H new ATOM 0 HD2 PHE A 31 88.696 1.776 2.819 1.00 0.00 H new ATOM 0 HE1 PHE A 31 88.910 -2.406 0.247 1.00 0.00 H new ATOM 0 HE2 PHE A 31 89.525 -0.275 3.885 1.00 0.00 H new ATOM 0 HZ PHE A 31 89.637 -2.372 2.598 1.00 0.00 H new ATOM 512 N TYR A 32 85.718 3.387 2.237 1.00 0.00 N ATOM 513 CA TYR A 32 85.172 3.571 3.574 1.00 0.00 C ATOM 514 C TYR A 32 83.687 3.181 3.640 1.00 0.00 C ATOM 515 O TYR A 32 83.213 2.685 4.665 1.00 0.00 O ATOM 516 CB TYR A 32 85.401 5.030 3.994 1.00 0.00 C ATOM 517 CG TYR A 32 84.442 5.569 5.025 1.00 0.00 C ATOM 518 CD1 TYR A 32 84.417 5.075 6.323 1.00 0.00 C ATOM 519 CD2 TYR A 32 83.557 6.583 4.690 1.00 0.00 C ATOM 520 CE1 TYR A 32 83.534 5.580 7.255 1.00 0.00 C ATOM 521 CE2 TYR A 32 82.674 7.090 5.613 1.00 0.00 C ATOM 522 CZ TYR A 32 82.664 6.586 6.892 1.00 0.00 C ATOM 523 OH TYR A 32 81.769 7.081 7.807 1.00 0.00 O ATOM 0 H TYR A 32 86.105 4.239 1.832 1.00 0.00 H new ATOM 0 HA TYR A 32 85.685 2.910 4.272 1.00 0.00 H new ATOM 0 HB2 TYR A 32 86.415 5.122 4.383 1.00 0.00 H new ATOM 0 HB3 TYR A 32 85.342 5.659 3.105 1.00 0.00 H new ATOM 0 HD1 TYR A 32 85.097 4.286 6.606 1.00 0.00 H new ATOM 0 HD2 TYR A 32 83.562 6.981 3.686 1.00 0.00 H new ATOM 0 HE1 TYR A 32 83.524 5.190 8.262 1.00 0.00 H new ATOM 0 HE2 TYR A 32 81.992 7.880 5.335 1.00 0.00 H new ATOM 0 HH TYR A 32 81.231 7.786 7.390 1.00 0.00 H new ATOM 533 N GLU A 33 82.963 3.381 2.546 1.00 0.00 N ATOM 534 CA GLU A 33 81.546 3.034 2.500 1.00 0.00 C ATOM 535 C GLU A 33 81.327 1.642 1.902 1.00 0.00 C ATOM 536 O GLU A 33 80.449 0.901 2.346 1.00 0.00 O ATOM 537 CB GLU A 33 80.762 4.079 1.706 1.00 0.00 C ATOM 538 CG GLU A 33 80.562 5.388 2.452 1.00 0.00 C ATOM 539 CD GLU A 33 79.732 5.218 3.712 1.00 0.00 C ATOM 540 OE1 GLU A 33 78.520 4.950 3.598 1.00 0.00 O ATOM 541 OE2 GLU A 33 80.281 5.361 4.823 1.00 0.00 O ATOM 0 H GLU A 33 83.330 3.780 1.682 1.00 0.00 H new ATOM 0 HA GLU A 33 81.178 3.020 3.526 1.00 0.00 H new ATOM 0 HB2 GLU A 33 81.285 4.280 0.771 1.00 0.00 H new ATOM 0 HB3 GLU A 33 79.787 3.668 1.444 1.00 0.00 H new ATOM 0 HG2 GLU A 33 81.534 5.805 2.715 1.00 0.00 H new ATOM 0 HG3 GLU A 33 80.074 6.107 1.794 1.00 0.00 H new ATOM 548 N VAL A 34 82.126 1.288 0.899 1.00 0.00 N ATOM 549 CA VAL A 34 82.011 -0.021 0.257 1.00 0.00 C ATOM 550 C VAL A 34 82.305 -1.141 1.253 1.00 0.00 C ATOM 551 O VAL A 34 81.672 -2.198 1.216 1.00 0.00 O ATOM 552 CB VAL A 34 82.952 -0.145 -0.964 1.00 0.00 C ATOM 553 CG1 VAL A 34 82.900 -1.547 -1.557 1.00 0.00 C ATOM 554 CG2 VAL A 34 82.587 0.883 -2.022 1.00 0.00 C ATOM 0 H VAL A 34 82.857 1.885 0.514 1.00 0.00 H new ATOM 0 HA VAL A 34 80.984 -0.116 -0.095 1.00 0.00 H new ATOM 0 HB VAL A 34 83.970 0.044 -0.623 1.00 0.00 H new ATOM 0 HG11 VAL A 34 83.571 -1.605 -2.414 1.00 0.00 H new ATOM 0 HG12 VAL A 34 83.209 -2.272 -0.804 1.00 0.00 H new ATOM 0 HG13 VAL A 34 81.882 -1.769 -1.878 1.00 0.00 H new ATOM 0 HG21 VAL A 34 83.259 0.782 -2.874 1.00 0.00 H new ATOM 0 HG22 VAL A 34 81.560 0.720 -2.348 1.00 0.00 H new ATOM 0 HG23 VAL A 34 82.680 1.885 -1.603 1.00 0.00 H new ATOM 564 N TRP A 35 83.248 -0.886 2.156 1.00 0.00 N ATOM 565 CA TRP A 35 83.591 -1.826 3.217 1.00 0.00 C ATOM 566 C TRP A 35 82.351 -2.192 4.036 1.00 0.00 C ATOM 567 O TRP A 35 82.176 -3.342 4.442 1.00 0.00 O ATOM 568 CB TRP A 35 84.677 -1.208 4.109 1.00 0.00 C ATOM 569 CG TRP A 35 85.054 -2.031 5.300 1.00 0.00 C ATOM 570 CD1 TRP A 35 85.693 -3.237 5.301 1.00 0.00 C ATOM 571 CD2 TRP A 35 84.838 -1.690 6.673 1.00 0.00 C ATOM 572 NE1 TRP A 35 85.871 -3.679 6.593 1.00 0.00 N ATOM 573 CE2 TRP A 35 85.356 -2.738 7.454 1.00 0.00 C ATOM 574 CE3 TRP A 35 84.249 -0.596 7.311 1.00 0.00 C ATOM 575 CZ2 TRP A 35 85.307 -2.722 8.847 1.00 0.00 C ATOM 576 CZ3 TRP A 35 84.199 -0.579 8.690 1.00 0.00 C ATOM 577 CH2 TRP A 35 84.724 -1.635 9.446 1.00 0.00 C ATOM 0 H TRP A 35 83.794 -0.025 2.172 1.00 0.00 H new ATOM 0 HA TRP A 35 83.976 -2.745 2.775 1.00 0.00 H new ATOM 0 HB2 TRP A 35 85.569 -1.037 3.506 1.00 0.00 H new ATOM 0 HB3 TRP A 35 84.333 -0.233 4.453 1.00 0.00 H new ATOM 0 HD1 TRP A 35 86.013 -3.768 4.416 1.00 0.00 H new ATOM 0 HE1 TRP A 35 86.311 -4.558 6.866 1.00 0.00 H new ATOM 0 HE3 TRP A 35 83.840 0.222 6.736 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 85.713 -3.534 9.432 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 83.748 0.262 9.195 1.00 0.00 H new ATOM 0 HH2 TRP A 35 84.668 -1.592 10.524 1.00 0.00 H new ATOM 588 N LYS A 36 81.478 -1.214 4.243 1.00 0.00 N ATOM 589 CA LYS A 36 80.246 -1.432 4.991 1.00 0.00 C ATOM 590 C LYS A 36 79.237 -2.204 4.145 1.00 0.00 C ATOM 591 O LYS A 36 78.551 -3.100 4.636 1.00 0.00 O ATOM 592 CB LYS A 36 79.634 -0.096 5.406 1.00 0.00 C ATOM 593 CG LYS A 36 80.576 0.801 6.190 1.00 0.00 C ATOM 594 CD LYS A 36 79.921 2.139 6.476 1.00 0.00 C ATOM 595 CE LYS A 36 80.862 3.100 7.179 1.00 0.00 C ATOM 596 NZ LYS A 36 80.252 4.450 7.309 1.00 0.00 N ATOM 0 H LYS A 36 81.601 -0.260 3.903 1.00 0.00 H new ATOM 0 HA LYS A 36 80.488 -2.012 5.881 1.00 0.00 H new ATOM 0 HB2 LYS A 36 79.305 0.434 4.512 1.00 0.00 H new ATOM 0 HB3 LYS A 36 78.746 -0.287 6.008 1.00 0.00 H new ATOM 0 HG2 LYS A 36 80.853 0.317 7.127 1.00 0.00 H new ATOM 0 HG3 LYS A 36 81.496 0.953 5.626 1.00 0.00 H new ATOM 0 HD2 LYS A 36 79.583 2.584 5.540 1.00 0.00 H new ATOM 0 HD3 LYS A 36 79.036 1.984 7.093 1.00 0.00 H new ATOM 0 HE2 LYS A 36 81.110 2.713 8.167 1.00 0.00 H new ATOM 0 HE3 LYS A 36 81.796 3.172 6.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 80.992 5.145 7.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 79.795 4.712 6.412 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 79.542 4.438 8.069 1.00 0.00 H new ATOM 610 N TYR A 37 79.162 -1.844 2.867 1.00 0.00 N ATOM 611 CA TYR A 37 78.224 -2.461 1.931 1.00 0.00 C ATOM 612 C TYR A 37 78.432 -3.973 1.838 1.00 0.00 C ATOM 613 O TYR A 37 77.468 -4.740 1.801 1.00 0.00 O ATOM 614 CB TYR A 37 78.369 -1.820 0.545 1.00 0.00 C ATOM 615 CG TYR A 37 77.634 -2.558 -0.557 1.00 0.00 C ATOM 616 CD1 TYR A 37 76.255 -2.453 -0.698 1.00 0.00 C ATOM 617 CD2 TYR A 37 78.326 -3.364 -1.454 1.00 0.00 C ATOM 618 CE1 TYR A 37 75.588 -3.135 -1.700 1.00 0.00 C ATOM 619 CE2 TYR A 37 77.666 -4.045 -2.457 1.00 0.00 C ATOM 620 CZ TYR A 37 76.299 -3.929 -2.576 1.00 0.00 C ATOM 621 OH TYR A 37 75.640 -4.613 -3.572 1.00 0.00 O ATOM 0 H TYR A 37 79.747 -1.119 2.451 1.00 0.00 H new ATOM 0 HA TYR A 37 77.215 -2.289 2.306 1.00 0.00 H new ATOM 0 HB2 TYR A 37 78.001 -0.795 0.590 1.00 0.00 H new ATOM 0 HB3 TYR A 37 79.427 -1.767 0.289 1.00 0.00 H new ATOM 0 HD1 TYR A 37 75.696 -1.830 -0.015 1.00 0.00 H new ATOM 0 HD2 TYR A 37 79.398 -3.459 -1.364 1.00 0.00 H new ATOM 0 HE1 TYR A 37 74.516 -3.046 -1.796 1.00 0.00 H new ATOM 0 HE2 TYR A 37 78.219 -4.666 -3.146 1.00 0.00 H new ATOM 0 HH TYR A 37 76.234 -4.719 -4.344 1.00 0.00 H new ATOM 631 N VAL A 38 79.687 -4.395 1.805 1.00 0.00 N ATOM 632 CA VAL A 38 80.003 -5.812 1.683 1.00 0.00 C ATOM 633 C VAL A 38 80.014 -6.510 3.045 1.00 0.00 C ATOM 634 O VAL A 38 80.280 -7.710 3.137 1.00 0.00 O ATOM 635 CB VAL A 38 81.341 -6.040 0.946 1.00 0.00 C ATOM 636 CG1 VAL A 38 81.197 -5.685 -0.526 1.00 0.00 C ATOM 637 CG2 VAL A 38 82.457 -5.224 1.573 1.00 0.00 C ATOM 0 H VAL A 38 80.500 -3.781 1.861 1.00 0.00 H new ATOM 0 HA VAL A 38 79.210 -6.258 1.083 1.00 0.00 H new ATOM 0 HB VAL A 38 81.600 -7.095 1.035 1.00 0.00 H new ATOM 0 HG11 VAL A 38 82.147 -5.850 -1.035 1.00 0.00 H new ATOM 0 HG12 VAL A 38 80.429 -6.313 -0.978 1.00 0.00 H new ATOM 0 HG13 VAL A 38 80.911 -4.637 -0.621 1.00 0.00 H new ATOM 0 HG21 VAL A 38 83.387 -5.404 1.034 1.00 0.00 H new ATOM 0 HG22 VAL A 38 82.207 -4.164 1.520 1.00 0.00 H new ATOM 0 HG23 VAL A 38 82.580 -5.516 2.616 1.00 0.00 H new ATOM 647 N GLY A 39 79.714 -5.756 4.100 1.00 0.00 N ATOM 648 CA GLY A 39 79.478 -6.353 5.402 1.00 0.00 C ATOM 649 C GLY A 39 80.718 -6.472 6.268 1.00 0.00 C ATOM 650 O GLY A 39 80.901 -7.489 6.941 1.00 0.00 O ATOM 0 H GLY A 39 79.630 -4.740 4.075 1.00 0.00 H new ATOM 0 HA2 GLY A 39 78.734 -5.758 5.932 1.00 0.00 H new ATOM 0 HA3 GLY A 39 79.051 -7.346 5.261 1.00 0.00 H new ATOM 654 N GLU A 40 81.557 -5.439 6.258 1.00 0.00 N ATOM 655 CA GLU A 40 82.757 -5.390 7.101 1.00 0.00 C ATOM 656 C GLU A 40 83.616 -6.653 6.962 1.00 0.00 C ATOM 657 O GLU A 40 83.731 -7.435 7.906 1.00 0.00 O ATOM 658 CB GLU A 40 82.386 -5.189 8.579 1.00 0.00 C ATOM 659 CG GLU A 40 81.950 -3.777 8.949 1.00 0.00 C ATOM 660 CD GLU A 40 80.593 -3.387 8.399 1.00 0.00 C ATOM 661 OE1 GLU A 40 79.673 -4.226 8.422 1.00 0.00 O ATOM 662 OE2 GLU A 40 80.431 -2.220 7.985 1.00 0.00 O ATOM 0 H GLU A 40 81.429 -4.615 5.670 1.00 0.00 H new ATOM 0 HA GLU A 40 83.342 -4.539 6.753 1.00 0.00 H new ATOM 0 HB2 GLU A 40 81.582 -5.879 8.833 1.00 0.00 H new ATOM 0 HB3 GLU A 40 83.245 -5.460 9.193 1.00 0.00 H new ATOM 0 HG2 GLU A 40 81.930 -3.687 10.035 1.00 0.00 H new ATOM 0 HG3 GLU A 40 82.695 -3.070 8.584 1.00 0.00 H new ATOM 669 N PRO A 41 84.224 -6.880 5.789 1.00 0.00 N ATOM 670 CA PRO A 41 85.088 -8.038 5.564 1.00 0.00 C ATOM 671 C PRO A 41 86.469 -7.855 6.189 1.00 0.00 C ATOM 672 O PRO A 41 86.750 -6.818 6.808 1.00 0.00 O ATOM 673 CB PRO A 41 85.194 -8.103 4.042 1.00 0.00 C ATOM 674 CG PRO A 41 85.041 -6.691 3.599 1.00 0.00 C ATOM 675 CD PRO A 41 84.116 -6.035 4.589 1.00 0.00 C ATOM 0 HA PRO A 41 84.688 -8.945 6.017 1.00 0.00 H new ATOM 0 HB2 PRO A 41 86.152 -8.516 3.728 1.00 0.00 H new ATOM 0 HB3 PRO A 41 84.418 -8.739 3.617 1.00 0.00 H new ATOM 0 HG2 PRO A 41 86.006 -6.185 3.574 1.00 0.00 H new ATOM 0 HG3 PRO A 41 84.629 -6.642 2.591 1.00 0.00 H new ATOM 0 HD2 PRO A 41 84.416 -5.008 4.796 1.00 0.00 H new ATOM 0 HD3 PRO A 41 83.092 -5.999 4.216 1.00 0.00 H new ATOM 683 N GLU A 42 87.322 -8.859 6.024 1.00 0.00 N ATOM 684 CA GLU A 42 88.673 -8.815 6.564 1.00 0.00 C ATOM 685 C GLU A 42 89.509 -7.773 5.836 1.00 0.00 C ATOM 686 O GLU A 42 89.526 -7.723 4.607 1.00 0.00 O ATOM 687 CB GLU A 42 89.346 -10.184 6.453 1.00 0.00 C ATOM 688 CG GLU A 42 88.648 -11.274 7.245 1.00 0.00 C ATOM 689 CD GLU A 42 88.501 -10.920 8.708 1.00 0.00 C ATOM 690 OE1 GLU A 42 89.456 -11.148 9.485 1.00 0.00 O ATOM 691 OE2 GLU A 42 87.427 -10.420 9.095 1.00 0.00 O ATOM 0 H GLU A 42 87.099 -9.716 5.518 1.00 0.00 H new ATOM 0 HA GLU A 42 88.603 -8.541 7.617 1.00 0.00 H new ATOM 0 HB2 GLU A 42 89.383 -10.477 5.404 1.00 0.00 H new ATOM 0 HB3 GLU A 42 90.377 -10.101 6.797 1.00 0.00 H new ATOM 0 HG2 GLU A 42 87.662 -11.455 6.817 1.00 0.00 H new ATOM 0 HG3 GLU A 42 89.211 -12.203 7.154 1.00 0.00 H new ATOM 698 N LEU A 43 90.199 -6.947 6.597 1.00 0.00 N ATOM 699 CA LEU A 43 91.057 -5.927 6.027 1.00 0.00 C ATOM 700 C LEU A 43 92.517 -6.316 6.193 1.00 0.00 C ATOM 701 O LEU A 43 93.052 -6.289 7.301 1.00 0.00 O ATOM 702 CB LEU A 43 90.790 -4.574 6.690 1.00 0.00 C ATOM 703 CG LEU A 43 89.408 -3.982 6.423 1.00 0.00 C ATOM 704 CD1 LEU A 43 89.264 -2.635 7.113 1.00 0.00 C ATOM 705 CD2 LEU A 43 89.169 -3.844 4.926 1.00 0.00 C ATOM 0 H LEU A 43 90.182 -6.963 7.617 1.00 0.00 H new ATOM 0 HA LEU A 43 90.836 -5.841 4.963 1.00 0.00 H new ATOM 0 HB2 LEU A 43 90.919 -4.683 7.767 1.00 0.00 H new ATOM 0 HB3 LEU A 43 91.544 -3.865 6.349 1.00 0.00 H new ATOM 0 HG LEU A 43 88.657 -4.659 6.831 1.00 0.00 H new ATOM 0 HD11 LEU A 43 88.273 -2.227 6.912 1.00 0.00 H new ATOM 0 HD12 LEU A 43 89.393 -2.761 8.188 1.00 0.00 H new ATOM 0 HD13 LEU A 43 90.022 -1.949 6.734 1.00 0.00 H new ATOM 0 HD21 LEU A 43 88.180 -3.421 4.753 1.00 0.00 H new ATOM 0 HD22 LEU A 43 89.925 -3.187 4.496 1.00 0.00 H new ATOM 0 HD23 LEU A 43 89.231 -4.825 4.456 1.00 0.00 H new ATOM 717 N LYS A 44 93.157 -6.695 5.097 1.00 0.00 N ATOM 718 CA LYS A 44 94.551 -7.102 5.144 1.00 0.00 C ATOM 719 C LYS A 44 95.450 -5.889 4.965 1.00 0.00 C ATOM 720 O LYS A 44 95.405 -5.219 3.934 1.00 0.00 O ATOM 721 CB LYS A 44 94.867 -8.137 4.057 1.00 0.00 C ATOM 722 CG LYS A 44 93.848 -9.260 3.944 1.00 0.00 C ATOM 723 CD LYS A 44 94.422 -10.442 3.175 1.00 0.00 C ATOM 724 CE LYS A 44 93.338 -11.364 2.636 1.00 0.00 C ATOM 725 NZ LYS A 44 92.337 -11.738 3.668 1.00 0.00 N ATOM 0 H LYS A 44 92.735 -6.729 4.169 1.00 0.00 H new ATOM 0 HA LYS A 44 94.735 -7.559 6.117 1.00 0.00 H new ATOM 0 HB2 LYS A 44 94.936 -7.627 3.096 1.00 0.00 H new ATOM 0 HB3 LYS A 44 95.847 -8.570 4.259 1.00 0.00 H new ATOM 0 HG2 LYS A 44 93.545 -9.582 4.940 1.00 0.00 H new ATOM 0 HG3 LYS A 44 92.953 -8.894 3.441 1.00 0.00 H new ATOM 0 HD2 LYS A 44 95.027 -10.074 2.347 1.00 0.00 H new ATOM 0 HD3 LYS A 44 95.086 -11.009 3.828 1.00 0.00 H new ATOM 0 HE2 LYS A 44 92.831 -10.874 1.805 1.00 0.00 H new ATOM 0 HE3 LYS A 44 93.800 -12.268 2.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 91.735 -12.505 3.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 92.827 -12.059 4.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 91.747 -10.912 3.894 1.00 0.00 H new ATOM 739 N THR A 45 96.254 -5.603 5.974 1.00 0.00 N ATOM 740 CA THR A 45 97.190 -4.500 5.907 1.00 0.00 C ATOM 741 C THR A 45 98.564 -4.997 5.472 1.00 0.00 C ATOM 742 O THR A 45 99.172 -5.833 6.143 1.00 0.00 O ATOM 743 CB THR A 45 97.306 -3.789 7.268 1.00 0.00 C ATOM 744 OG1 THR A 45 97.640 -4.739 8.289 1.00 0.00 O ATOM 745 CG2 THR A 45 96.004 -3.092 7.626 1.00 0.00 C ATOM 0 H THR A 45 96.276 -6.123 6.851 1.00 0.00 H new ATOM 0 HA THR A 45 96.814 -3.787 5.173 1.00 0.00 H new ATOM 0 HB THR A 45 98.094 -3.039 7.196 1.00 0.00 H new ATOM 0 HG1 THR A 45 98.212 -5.439 7.910 1.00 0.00 H new ATOM 0 HG21 THR A 45 96.110 -2.597 8.591 1.00 0.00 H new ATOM 0 HG22 THR A 45 95.766 -2.352 6.862 1.00 0.00 H new ATOM 0 HG23 THR A 45 95.201 -3.827 7.681 1.00 0.00 H new ATOM 753 N TYR A 46 99.045 -4.489 4.350 1.00 0.00 N ATOM 754 CA TYR A 46 100.336 -4.900 3.831 1.00 0.00 C ATOM 755 C TYR A 46 101.272 -3.703 3.770 1.00 0.00 C ATOM 756 O TYR A 46 100.826 -2.558 3.652 1.00 0.00 O ATOM 757 CB TYR A 46 100.193 -5.540 2.443 1.00 0.00 C ATOM 758 CG TYR A 46 99.921 -4.559 1.317 1.00 0.00 C ATOM 759 CD1 TYR A 46 98.680 -3.953 1.173 1.00 0.00 C ATOM 760 CD2 TYR A 46 100.915 -4.244 0.398 1.00 0.00 C ATOM 761 CE1 TYR A 46 98.438 -3.060 0.145 1.00 0.00 C ATOM 762 CE2 TYR A 46 100.681 -3.350 -0.629 1.00 0.00 C ATOM 763 CZ TYR A 46 99.442 -2.762 -0.752 1.00 0.00 C ATOM 764 OH TYR A 46 99.207 -1.872 -1.775 1.00 0.00 O ATOM 0 H TYR A 46 98.561 -3.793 3.783 1.00 0.00 H new ATOM 0 HA TYR A 46 100.757 -5.648 4.503 1.00 0.00 H new ATOM 0 HB2 TYR A 46 101.107 -6.089 2.215 1.00 0.00 H new ATOM 0 HB3 TYR A 46 99.383 -6.268 2.476 1.00 0.00 H new ATOM 0 HD1 TYR A 46 97.892 -4.183 1.875 1.00 0.00 H new ATOM 0 HD2 TYR A 46 101.887 -4.706 0.488 1.00 0.00 H new ATOM 0 HE1 TYR A 46 97.467 -2.598 0.045 1.00 0.00 H new ATOM 0 HE2 TYR A 46 101.466 -3.113 -1.332 1.00 0.00 H new ATOM 0 HH TYR A 46 100.018 -1.773 -2.315 1.00 0.00 H new ATOM 774 N VAL A 47 102.563 -3.966 3.863 1.00 0.00 N ATOM 775 CA VAL A 47 103.553 -2.910 3.795 1.00 0.00 C ATOM 776 C VAL A 47 104.234 -2.916 2.435 1.00 0.00 C ATOM 777 O VAL A 47 104.946 -3.859 2.089 1.00 0.00 O ATOM 778 CB VAL A 47 104.617 -3.046 4.905 1.00 0.00 C ATOM 779 CG1 VAL A 47 105.626 -1.909 4.825 1.00 0.00 C ATOM 780 CG2 VAL A 47 103.960 -3.081 6.276 1.00 0.00 C ATOM 0 H VAL A 47 102.949 -4.902 3.986 1.00 0.00 H new ATOM 0 HA VAL A 47 103.030 -1.965 3.943 1.00 0.00 H new ATOM 0 HB VAL A 47 105.148 -3.986 4.755 1.00 0.00 H new ATOM 0 HG11 VAL A 47 106.367 -2.024 5.616 1.00 0.00 H new ATOM 0 HG12 VAL A 47 106.124 -1.932 3.856 1.00 0.00 H new ATOM 0 HG13 VAL A 47 105.111 -0.956 4.946 1.00 0.00 H new ATOM 0 HG21 VAL A 47 104.727 -3.177 7.045 1.00 0.00 H new ATOM 0 HG22 VAL A 47 103.401 -2.159 6.435 1.00 0.00 H new ATOM 0 HG23 VAL A 47 103.281 -3.932 6.332 1.00 0.00 H new ATOM 790 N ILE A 48 103.989 -1.876 1.662 1.00 0.00 N ATOM 791 CA ILE A 48 104.626 -1.725 0.368 1.00 0.00 C ATOM 792 C ILE A 48 105.761 -0.715 0.478 1.00 0.00 C ATOM 793 O ILE A 48 105.568 0.417 0.925 1.00 0.00 O ATOM 794 CB ILE A 48 103.616 -1.300 -0.729 1.00 0.00 C ATOM 795 CG1 ILE A 48 104.334 -1.080 -2.065 1.00 0.00 C ATOM 796 CG2 ILE A 48 102.846 -0.051 -0.314 1.00 0.00 C ATOM 797 CD1 ILE A 48 103.401 -0.771 -3.217 1.00 0.00 C ATOM 0 H ILE A 48 103.350 -1.120 1.909 1.00 0.00 H new ATOM 0 HA ILE A 48 105.028 -2.693 0.069 1.00 0.00 H new ATOM 0 HB ILE A 48 102.895 -2.107 -0.856 1.00 0.00 H new ATOM 0 HG12 ILE A 48 105.044 -0.260 -1.955 1.00 0.00 H new ATOM 0 HG13 ILE A 48 104.912 -1.972 -2.307 1.00 0.00 H new ATOM 0 HG21 ILE A 48 102.145 0.223 -1.103 1.00 0.00 H new ATOM 0 HG22 ILE A 48 102.297 -0.251 0.606 1.00 0.00 H new ATOM 0 HG23 ILE A 48 103.545 0.769 -0.148 1.00 0.00 H new ATOM 0 HD11 ILE A 48 103.982 -0.628 -4.128 1.00 0.00 H new ATOM 0 HD12 ILE A 48 102.707 -1.600 -3.356 1.00 0.00 H new ATOM 0 HD13 ILE A 48 102.841 0.138 -2.998 1.00 0.00 H new ATOM 809 N GLU A 49 106.952 -1.137 0.101 1.00 0.00 N ATOM 810 CA GLU A 49 108.121 -0.293 0.238 1.00 0.00 C ATOM 811 C GLU A 49 108.526 0.284 -1.103 1.00 0.00 C ATOM 812 O GLU A 49 108.944 -0.441 -2.010 1.00 0.00 O ATOM 813 CB GLU A 49 109.277 -1.065 0.862 1.00 0.00 C ATOM 814 CG GLU A 49 108.989 -1.518 2.280 1.00 0.00 C ATOM 815 CD GLU A 49 110.202 -2.097 2.962 1.00 0.00 C ATOM 816 OE1 GLU A 49 111.160 -1.338 3.226 1.00 0.00 O ATOM 817 OE2 GLU A 49 110.199 -3.309 3.264 1.00 0.00 O ATOM 0 H GLU A 49 107.135 -2.056 -0.301 1.00 0.00 H new ATOM 0 HA GLU A 49 107.866 0.533 0.902 1.00 0.00 H new ATOM 0 HB2 GLU A 49 109.499 -1.936 0.246 1.00 0.00 H new ATOM 0 HB3 GLU A 49 110.168 -0.438 0.861 1.00 0.00 H new ATOM 0 HG2 GLU A 49 108.620 -0.672 2.860 1.00 0.00 H new ATOM 0 HG3 GLU A 49 108.195 -2.264 2.265 1.00 0.00 H new ATOM 824 N ASP A 50 108.385 1.590 -1.217 1.00 0.00 N ATOM 825 CA ASP A 50 108.722 2.302 -2.436 1.00 0.00 C ATOM 826 C ASP A 50 109.858 3.275 -2.149 1.00 0.00 C ATOM 827 O ASP A 50 110.248 3.452 -0.995 1.00 0.00 O ATOM 828 CB ASP A 50 107.484 3.039 -2.970 1.00 0.00 C ATOM 829 CG ASP A 50 107.716 3.708 -4.313 1.00 0.00 C ATOM 830 OD1 ASP A 50 108.512 3.178 -5.119 1.00 0.00 O ATOM 831 OD2 ASP A 50 107.092 4.754 -4.571 1.00 0.00 O ATOM 0 H ASP A 50 108.034 2.188 -0.469 1.00 0.00 H new ATOM 0 HA ASP A 50 109.050 1.597 -3.200 1.00 0.00 H new ATOM 0 HB2 ASP A 50 106.660 2.331 -3.062 1.00 0.00 H new ATOM 0 HB3 ASP A 50 107.177 3.793 -2.245 1.00 0.00 H new ATOM 836 N GLU A 51 110.392 3.887 -3.186 1.00 0.00 N ATOM 837 CA GLU A 51 111.468 4.852 -3.036 1.00 0.00 C ATOM 838 C GLU A 51 110.932 6.153 -2.448 1.00 0.00 C ATOM 839 O GLU A 51 109.722 6.389 -2.447 1.00 0.00 O ATOM 840 CB GLU A 51 112.122 5.104 -4.393 1.00 0.00 C ATOM 841 CG GLU A 51 112.626 3.831 -5.048 1.00 0.00 C ATOM 842 CD GLU A 51 113.107 4.046 -6.465 1.00 0.00 C ATOM 843 OE1 GLU A 51 112.264 4.058 -7.386 1.00 0.00 O ATOM 844 OE2 GLU A 51 114.332 4.181 -6.672 1.00 0.00 O ATOM 0 H GLU A 51 110.097 3.733 -4.150 1.00 0.00 H new ATOM 0 HA GLU A 51 112.217 4.453 -2.352 1.00 0.00 H new ATOM 0 HB2 GLU A 51 111.402 5.587 -5.054 1.00 0.00 H new ATOM 0 HB3 GLU A 51 112.954 5.797 -4.267 1.00 0.00 H new ATOM 0 HG2 GLU A 51 113.441 3.420 -4.452 1.00 0.00 H new ATOM 0 HG3 GLU A 51 111.827 3.089 -5.050 1.00 0.00 H new ATOM 851 N ILE A 52 111.825 6.979 -1.927 1.00 0.00 N ATOM 852 CA ILE A 52 111.430 8.262 -1.370 1.00 0.00 C ATOM 853 C ILE A 52 110.884 9.180 -2.468 1.00 0.00 C ATOM 854 O ILE A 52 111.632 9.769 -3.249 1.00 0.00 O ATOM 855 CB ILE A 52 112.597 8.945 -0.604 1.00 0.00 C ATOM 856 CG1 ILE A 52 112.179 10.336 -0.115 1.00 0.00 C ATOM 857 CG2 ILE A 52 113.854 9.021 -1.465 1.00 0.00 C ATOM 858 CD1 ILE A 52 113.232 11.030 0.722 1.00 0.00 C ATOM 0 H ILE A 52 112.825 6.785 -1.878 1.00 0.00 H new ATOM 0 HA ILE A 52 110.636 8.076 -0.647 1.00 0.00 H new ATOM 0 HB ILE A 52 112.833 8.334 0.267 1.00 0.00 H new ATOM 0 HG12 ILE A 52 111.945 10.959 -0.978 1.00 0.00 H new ATOM 0 HG13 ILE A 52 111.264 10.246 0.470 1.00 0.00 H new ATOM 0 HG21 ILE A 52 114.652 9.504 -0.901 1.00 0.00 H new ATOM 0 HG22 ILE A 52 114.165 8.014 -1.745 1.00 0.00 H new ATOM 0 HG23 ILE A 52 113.644 9.599 -2.365 1.00 0.00 H new ATOM 0 HD11 ILE A 52 112.864 12.008 1.031 1.00 0.00 H new ATOM 0 HD12 ILE A 52 113.450 10.429 1.605 1.00 0.00 H new ATOM 0 HD13 ILE A 52 114.141 11.153 0.134 1.00 0.00 H new ATOM 870 N VAL A 53 109.568 9.256 -2.547 1.00 0.00 N ATOM 871 CA VAL A 53 108.908 10.094 -3.531 1.00 0.00 C ATOM 872 C VAL A 53 108.660 11.485 -2.969 1.00 0.00 C ATOM 873 O VAL A 53 108.256 11.641 -1.811 1.00 0.00 O ATOM 874 CB VAL A 53 107.585 9.472 -4.024 1.00 0.00 C ATOM 875 CG1 VAL A 53 107.856 8.210 -4.826 1.00 0.00 C ATOM 876 CG2 VAL A 53 106.656 9.168 -2.856 1.00 0.00 C ATOM 0 H VAL A 53 108.931 8.743 -1.937 1.00 0.00 H new ATOM 0 HA VAL A 53 109.575 10.172 -4.389 1.00 0.00 H new ATOM 0 HB VAL A 53 107.092 10.198 -4.671 1.00 0.00 H new ATOM 0 HG11 VAL A 53 106.912 7.785 -5.166 1.00 0.00 H new ATOM 0 HG12 VAL A 53 108.476 8.453 -5.689 1.00 0.00 H new ATOM 0 HG13 VAL A 53 108.376 7.485 -4.199 1.00 0.00 H new ATOM 0 HG21 VAL A 53 105.731 8.730 -3.231 1.00 0.00 H new ATOM 0 HG22 VAL A 53 107.141 8.465 -2.179 1.00 0.00 H new ATOM 0 HG23 VAL A 53 106.430 10.090 -2.321 1.00 0.00 H new ATOM 886 N GLU A 54 108.905 12.497 -3.783 1.00 0.00 N ATOM 887 CA GLU A 54 108.808 13.875 -3.332 1.00 0.00 C ATOM 888 C GLU A 54 107.423 14.455 -3.602 1.00 0.00 C ATOM 889 O GLU A 54 106.762 14.088 -4.573 1.00 0.00 O ATOM 890 CB GLU A 54 109.909 14.727 -3.984 1.00 0.00 C ATOM 891 CG GLU A 54 110.080 14.515 -5.487 1.00 0.00 C ATOM 892 CD GLU A 54 108.991 15.163 -6.321 1.00 0.00 C ATOM 893 OE1 GLU A 54 108.411 16.172 -5.871 1.00 0.00 O ATOM 894 OE2 GLU A 54 108.729 14.679 -7.441 1.00 0.00 O ATOM 0 H GLU A 54 109.173 12.390 -4.761 1.00 0.00 H new ATOM 0 HA GLU A 54 108.956 13.891 -2.252 1.00 0.00 H new ATOM 0 HB2 GLU A 54 109.689 15.779 -3.803 1.00 0.00 H new ATOM 0 HB3 GLU A 54 110.856 14.510 -3.491 1.00 0.00 H new ATOM 0 HG2 GLU A 54 111.047 14.914 -5.794 1.00 0.00 H new ATOM 0 HG3 GLU A 54 110.097 13.445 -5.695 1.00 0.00 H new ATOM 901 N PRO A 55 106.948 15.331 -2.707 1.00 0.00 N ATOM 902 CA PRO A 55 105.685 16.029 -2.863 1.00 0.00 C ATOM 903 C PRO A 55 105.849 17.454 -3.404 1.00 0.00 C ATOM 904 O PRO A 55 104.889 18.224 -3.444 1.00 0.00 O ATOM 905 CB PRO A 55 105.169 16.061 -1.424 1.00 0.00 C ATOM 906 CG PRO A 55 106.397 16.065 -0.557 1.00 0.00 C ATOM 907 CD PRO A 55 107.573 15.671 -1.424 1.00 0.00 C ATOM 0 HA PRO A 55 105.024 15.544 -3.582 1.00 0.00 H new ATOM 0 HB2 PRO A 55 104.560 16.947 -1.245 1.00 0.00 H new ATOM 0 HB3 PRO A 55 104.542 15.195 -1.213 1.00 0.00 H new ATOM 0 HG2 PRO A 55 106.556 17.052 -0.123 1.00 0.00 H new ATOM 0 HG3 PRO A 55 106.282 15.367 0.272 1.00 0.00 H new ATOM 0 HD2 PRO A 55 108.287 16.488 -1.528 1.00 0.00 H new ATOM 0 HD3 PRO A 55 108.116 14.824 -1.004 1.00 0.00 H new ATOM 915 N GLY A 56 107.064 17.804 -3.818 1.00 0.00 N ATOM 916 CA GLY A 56 107.321 19.155 -4.293 1.00 0.00 C ATOM 917 C GLY A 56 108.794 19.415 -4.553 1.00 0.00 C ATOM 918 O GLY A 56 109.289 20.519 -4.330 1.00 0.00 O ATOM 0 H GLY A 56 107.872 17.181 -3.834 1.00 0.00 H new ATOM 0 HA2 GLY A 56 106.759 19.326 -5.211 1.00 0.00 H new ATOM 0 HA3 GLY A 56 106.955 19.870 -3.557 1.00 0.00 H new ATOM 922 N GLU A 57 109.486 18.401 -5.039 1.00 0.00 N ATOM 923 CA GLU A 57 110.902 18.505 -5.350 1.00 0.00 C ATOM 924 C GLU A 57 111.151 17.812 -6.686 1.00 0.00 C ATOM 925 O GLU A 57 112.083 17.021 -6.838 1.00 0.00 O ATOM 926 CB GLU A 57 111.747 17.871 -4.234 1.00 0.00 C ATOM 927 CG GLU A 57 113.235 18.188 -4.327 1.00 0.00 C ATOM 928 CD GLU A 57 114.057 17.452 -3.287 1.00 0.00 C ATOM 929 OE1 GLU A 57 114.208 17.972 -2.161 1.00 0.00 O ATOM 930 OE2 GLU A 57 114.560 16.352 -3.594 1.00 0.00 O ATOM 0 H GLU A 57 109.084 17.483 -5.229 1.00 0.00 H new ATOM 0 HA GLU A 57 111.194 19.553 -5.422 1.00 0.00 H new ATOM 0 HB2 GLU A 57 111.373 18.214 -3.269 1.00 0.00 H new ATOM 0 HB3 GLU A 57 111.614 16.789 -4.261 1.00 0.00 H new ATOM 0 HG2 GLU A 57 113.596 17.926 -5.321 1.00 0.00 H new ATOM 0 HG3 GLU A 57 113.382 19.261 -4.207 1.00 0.00 H new ATOM 937 N TYR A 58 110.285 18.118 -7.648 1.00 0.00 N ATOM 938 CA TYR A 58 110.323 17.495 -8.968 1.00 0.00 C ATOM 939 C TYR A 58 111.678 17.700 -9.637 1.00 0.00 C ATOM 940 O TYR A 58 112.168 16.825 -10.357 1.00 0.00 O ATOM 941 CB TYR A 58 109.202 18.061 -9.846 1.00 0.00 C ATOM 942 CG TYR A 58 109.208 17.534 -11.263 1.00 0.00 C ATOM 943 CD1 TYR A 58 108.901 16.207 -11.535 1.00 0.00 C ATOM 944 CD2 TYR A 58 109.530 18.364 -12.329 1.00 0.00 C ATOM 945 CE1 TYR A 58 108.915 15.722 -12.829 1.00 0.00 C ATOM 946 CE2 TYR A 58 109.543 17.889 -13.624 1.00 0.00 C ATOM 947 CZ TYR A 58 109.237 16.568 -13.869 1.00 0.00 C ATOM 948 OH TYR A 58 109.264 16.090 -15.161 1.00 0.00 O ATOM 0 H TYR A 58 109.538 18.804 -7.535 1.00 0.00 H new ATOM 0 HA TYR A 58 110.172 16.423 -8.844 1.00 0.00 H new ATOM 0 HB2 TYR A 58 108.241 17.828 -9.386 1.00 0.00 H new ATOM 0 HB3 TYR A 58 109.288 19.147 -9.872 1.00 0.00 H new ATOM 0 HD1 TYR A 58 108.647 15.543 -10.722 1.00 0.00 H new ATOM 0 HD2 TYR A 58 109.774 19.399 -12.141 1.00 0.00 H new ATOM 0 HE1 TYR A 58 108.675 14.687 -13.024 1.00 0.00 H new ATOM 0 HE2 TYR A 58 109.792 18.549 -14.442 1.00 0.00 H new ATOM 0 HH TYR A 58 109.508 16.815 -15.773 1.00 0.00 H new ATOM 958 N ASP A 59 112.277 18.856 -9.405 1.00 0.00 N ATOM 959 CA ASP A 59 113.614 19.127 -9.905 1.00 0.00 C ATOM 960 C ASP A 59 114.606 19.157 -8.749 1.00 0.00 C ATOM 961 O ASP A 59 114.713 20.152 -8.032 1.00 0.00 O ATOM 962 CB ASP A 59 113.661 20.450 -10.667 1.00 0.00 C ATOM 963 CG ASP A 59 115.043 20.739 -11.212 1.00 0.00 C ATOM 964 OD1 ASP A 59 115.443 20.091 -12.201 1.00 0.00 O ATOM 965 OD2 ASP A 59 115.742 21.609 -10.653 1.00 0.00 O ATOM 0 H ASP A 59 111.859 19.621 -8.875 1.00 0.00 H new ATOM 0 HA ASP A 59 113.886 18.328 -10.595 1.00 0.00 H new ATOM 0 HB2 ASP A 59 112.945 20.421 -11.489 1.00 0.00 H new ATOM 0 HB3 ASP A 59 113.355 21.261 -10.006 1.00 0.00 H new ATOM 970 N PRO A 60 115.312 18.047 -8.524 1.00 0.00 N ATOM 971 CA PRO A 60 116.287 17.942 -7.453 1.00 0.00 C ATOM 972 C PRO A 60 117.681 18.384 -7.888 1.00 0.00 C ATOM 973 O PRO A 60 118.004 18.382 -9.081 1.00 0.00 O ATOM 974 CB PRO A 60 116.271 16.448 -7.145 1.00 0.00 C ATOM 975 CG PRO A 60 115.974 15.790 -8.454 1.00 0.00 C ATOM 976 CD PRO A 60 115.204 16.790 -9.285 1.00 0.00 C ATOM 0 HA PRO A 60 116.047 18.581 -6.603 1.00 0.00 H new ATOM 0 HB2 PRO A 60 117.229 16.117 -6.744 1.00 0.00 H new ATOM 0 HB3 PRO A 60 115.513 16.206 -6.400 1.00 0.00 H new ATOM 0 HG2 PRO A 60 116.896 15.499 -8.957 1.00 0.00 H new ATOM 0 HG3 PRO A 60 115.391 14.881 -8.306 1.00 0.00 H new ATOM 0 HD2 PRO A 60 115.629 16.890 -10.283 1.00 0.00 H new ATOM 0 HD3 PRO A 60 114.164 16.488 -9.410 1.00 0.00 H new ATOM 984 N PRO A 61 118.515 18.803 -6.930 1.00 0.00 N ATOM 985 CA PRO A 61 119.923 19.076 -7.193 1.00 0.00 C ATOM 986 C PRO A 61 120.702 17.775 -7.358 1.00 0.00 C ATOM 987 O PRO A 61 120.837 17.001 -6.410 1.00 0.00 O ATOM 988 CB PRO A 61 120.380 19.833 -5.944 1.00 0.00 C ATOM 989 CG PRO A 61 119.458 19.388 -4.861 1.00 0.00 C ATOM 990 CD PRO A 61 118.147 19.060 -5.525 1.00 0.00 C ATOM 0 HA PRO A 61 120.085 19.640 -8.112 1.00 0.00 H new ATOM 0 HB2 PRO A 61 121.416 19.601 -5.699 1.00 0.00 H new ATOM 0 HB3 PRO A 61 120.322 20.911 -6.093 1.00 0.00 H new ATOM 0 HG2 PRO A 61 119.859 18.517 -4.343 1.00 0.00 H new ATOM 0 HG3 PRO A 61 119.330 20.172 -4.114 1.00 0.00 H new ATOM 0 HD2 PRO A 61 117.676 18.189 -5.070 1.00 0.00 H new ATOM 0 HD3 PRO A 61 117.440 19.885 -5.442 1.00 0.00 H new ATOM 998 N GLU A 62 121.191 17.526 -8.566 1.00 0.00 N ATOM 999 CA GLU A 62 121.866 16.271 -8.868 1.00 0.00 C ATOM 1000 C GLU A 62 123.160 16.141 -8.075 1.00 0.00 C ATOM 1001 O GLU A 62 124.124 16.873 -8.304 1.00 0.00 O ATOM 1002 CB GLU A 62 122.146 16.149 -10.366 1.00 0.00 C ATOM 1003 CG GLU A 62 120.886 16.141 -11.217 1.00 0.00 C ATOM 1004 CD GLU A 62 121.169 15.836 -12.671 1.00 0.00 C ATOM 1005 OE1 GLU A 62 121.155 14.643 -13.043 1.00 0.00 O ATOM 1006 OE2 GLU A 62 121.409 16.785 -13.450 1.00 0.00 O ATOM 0 H GLU A 62 121.133 18.175 -9.351 1.00 0.00 H new ATOM 0 HA GLU A 62 121.202 15.458 -8.574 1.00 0.00 H new ATOM 0 HB2 GLU A 62 122.781 16.978 -10.678 1.00 0.00 H new ATOM 0 HB3 GLU A 62 122.706 15.232 -10.550 1.00 0.00 H new ATOM 0 HG2 GLU A 62 120.190 15.400 -10.823 1.00 0.00 H new ATOM 0 HG3 GLU A 62 120.395 17.111 -11.142 1.00 0.00 H new ATOM 1013 N MET A 63 123.158 15.219 -7.127 1.00 0.00 N ATOM 1014 CA MET A 63 124.320 14.965 -6.295 1.00 0.00 C ATOM 1015 C MET A 63 124.997 13.669 -6.721 1.00 0.00 C ATOM 1016 O MET A 63 124.431 12.888 -7.486 1.00 0.00 O ATOM 1017 CB MET A 63 123.909 14.901 -4.823 1.00 0.00 C ATOM 1018 CG MET A 63 123.349 16.215 -4.297 1.00 0.00 C ATOM 1019 SD MET A 63 122.696 16.081 -2.621 1.00 0.00 S ATOM 1020 CE MET A 63 121.339 14.939 -2.877 1.00 0.00 C ATOM 0 H MET A 63 122.354 14.628 -6.914 1.00 0.00 H new ATOM 0 HA MET A 63 125.031 15.782 -6.420 1.00 0.00 H new ATOM 0 HB2 MET A 63 123.161 14.118 -4.695 1.00 0.00 H new ATOM 0 HB3 MET A 63 124.774 14.617 -4.223 1.00 0.00 H new ATOM 0 HG2 MET A 63 124.133 16.972 -4.316 1.00 0.00 H new ATOM 0 HG3 MET A 63 122.558 16.559 -4.963 1.00 0.00 H new ATOM 0 HE1 MET A 63 120.455 15.300 -2.351 1.00 0.00 H new ATOM 0 HE2 MET A 63 121.122 14.865 -3.943 1.00 0.00 H new ATOM 0 HE3 MET A 63 121.613 13.956 -2.494 1.00 0.00 H new ATOM 1030 N LYS A 64 126.202 13.438 -6.228 1.00 0.00 N ATOM 1031 CA LYS A 64 126.980 12.279 -6.637 1.00 0.00 C ATOM 1032 C LYS A 64 126.698 11.080 -5.740 1.00 0.00 C ATOM 1033 O LYS A 64 126.409 9.983 -6.220 1.00 0.00 O ATOM 1034 CB LYS A 64 128.473 12.608 -6.605 1.00 0.00 C ATOM 1035 CG LYS A 64 128.866 13.743 -7.536 1.00 0.00 C ATOM 1036 CD LYS A 64 130.354 14.043 -7.448 1.00 0.00 C ATOM 1037 CE LYS A 64 130.759 15.146 -8.411 1.00 0.00 C ATOM 1038 NZ LYS A 64 130.117 16.445 -8.082 1.00 0.00 N ATOM 0 H LYS A 64 126.664 14.037 -5.544 1.00 0.00 H new ATOM 0 HA LYS A 64 126.687 12.022 -7.655 1.00 0.00 H new ATOM 0 HB2 LYS A 64 128.757 12.870 -5.586 1.00 0.00 H new ATOM 0 HB3 LYS A 64 129.039 11.716 -6.874 1.00 0.00 H new ATOM 0 HG2 LYS A 64 128.606 13.481 -8.562 1.00 0.00 H new ATOM 0 HG3 LYS A 64 128.297 14.638 -7.282 1.00 0.00 H new ATOM 0 HD2 LYS A 64 130.607 14.337 -6.429 1.00 0.00 H new ATOM 0 HD3 LYS A 64 130.922 13.139 -7.669 1.00 0.00 H new ATOM 0 HE2 LYS A 64 131.842 15.263 -8.391 1.00 0.00 H new ATOM 0 HE3 LYS A 64 130.489 14.856 -9.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 130.548 17.200 -8.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 129.099 16.392 -8.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 130.254 16.654 -7.073 1.00 0.00 H new ATOM 1052 N TYR A 65 126.770 11.295 -4.437 1.00 0.00 N ATOM 1053 CA TYR A 65 126.621 10.210 -3.477 1.00 0.00 C ATOM 1054 C TYR A 65 125.251 10.272 -2.817 1.00 0.00 C ATOM 1055 O TYR A 65 125.136 10.337 -1.593 1.00 0.00 O ATOM 1056 CB TYR A 65 127.730 10.289 -2.427 1.00 0.00 C ATOM 1057 CG TYR A 65 129.113 10.393 -3.030 1.00 0.00 C ATOM 1058 CD1 TYR A 65 129.747 9.276 -3.557 1.00 0.00 C ATOM 1059 CD2 TYR A 65 129.777 11.611 -3.085 1.00 0.00 C ATOM 1060 CE1 TYR A 65 131.006 9.370 -4.119 1.00 0.00 C ATOM 1061 CE2 TYR A 65 131.036 11.712 -3.644 1.00 0.00 C ATOM 1062 CZ TYR A 65 131.645 10.589 -4.161 1.00 0.00 C ATOM 1063 OH TYR A 65 132.898 10.686 -4.722 1.00 0.00 O ATOM 0 H TYR A 65 126.931 12.211 -4.018 1.00 0.00 H new ATOM 0 HA TYR A 65 126.704 9.258 -4.001 1.00 0.00 H new ATOM 0 HB2 TYR A 65 127.554 11.153 -1.786 1.00 0.00 H new ATOM 0 HB3 TYR A 65 127.683 9.405 -1.791 1.00 0.00 H new ATOM 0 HD1 TYR A 65 129.248 8.318 -3.527 1.00 0.00 H new ATOM 0 HD2 TYR A 65 129.301 12.494 -2.684 1.00 0.00 H new ATOM 0 HE1 TYR A 65 131.487 8.491 -4.523 1.00 0.00 H new ATOM 0 HE2 TYR A 65 131.541 12.666 -3.676 1.00 0.00 H new ATOM 0 HH TYR A 65 133.207 11.615 -4.673 1.00 0.00 H new ATOM 1073 N THR A 66 124.219 10.241 -3.645 1.00 0.00 N ATOM 1074 CA THR A 66 122.847 10.379 -3.187 1.00 0.00 C ATOM 1075 C THR A 66 122.438 9.266 -2.226 1.00 0.00 C ATOM 1076 O THR A 66 122.563 8.079 -2.537 1.00 0.00 O ATOM 1077 CB THR A 66 121.884 10.396 -4.386 1.00 0.00 C ATOM 1078 OG1 THR A 66 122.286 9.406 -5.344 1.00 0.00 O ATOM 1079 CG2 THR A 66 121.867 11.765 -5.044 1.00 0.00 C ATOM 0 H THR A 66 124.310 10.119 -4.654 1.00 0.00 H new ATOM 0 HA THR A 66 122.789 11.324 -2.647 1.00 0.00 H new ATOM 0 HB THR A 66 120.880 10.171 -4.026 1.00 0.00 H new ATOM 0 HG1 THR A 66 121.669 9.418 -6.106 1.00 0.00 H new ATOM 0 HG21 THR A 66 121.179 11.754 -5.890 1.00 0.00 H new ATOM 0 HG22 THR A 66 121.541 12.512 -4.321 1.00 0.00 H new ATOM 0 HG23 THR A 66 122.869 12.013 -5.395 1.00 0.00 H new ATOM 1087 N ASN A 67 121.961 9.663 -1.055 1.00 0.00 N ATOM 1088 CA ASN A 67 121.429 8.718 -0.085 1.00 0.00 C ATOM 1089 C ASN A 67 120.054 8.239 -0.528 1.00 0.00 C ATOM 1090 O ASN A 67 119.113 9.029 -0.614 1.00 0.00 O ATOM 1091 CB ASN A 67 121.341 9.362 1.306 1.00 0.00 C ATOM 1092 CG ASN A 67 120.776 8.416 2.356 1.00 0.00 C ATOM 1093 OD1 ASN A 67 121.510 7.631 2.957 1.00 0.00 O ATOM 1094 ND2 ASN A 67 119.476 8.503 2.605 1.00 0.00 N ATOM 0 H ASN A 67 121.932 10.637 -0.753 1.00 0.00 H new ATOM 0 HA ASN A 67 122.103 7.864 -0.026 1.00 0.00 H new ATOM 0 HB2 ASN A 67 122.334 9.689 1.614 1.00 0.00 H new ATOM 0 HB3 ASN A 67 120.715 10.253 1.251 1.00 0.00 H new ATOM 0 HD21 ASN A 67 119.052 7.907 3.316 1.00 0.00 H new ATOM 0 HD22 ASN A 67 118.901 9.166 2.086 1.00 0.00 H new ATOM 1101 N VAL A 68 119.947 6.957 -0.826 1.00 0.00 N ATOM 1102 CA VAL A 68 118.690 6.385 -1.279 1.00 0.00 C ATOM 1103 C VAL A 68 117.854 5.933 -0.090 1.00 0.00 C ATOM 1104 O VAL A 68 118.272 5.074 0.687 1.00 0.00 O ATOM 1105 CB VAL A 68 118.917 5.195 -2.235 1.00 0.00 C ATOM 1106 CG1 VAL A 68 117.590 4.626 -2.720 1.00 0.00 C ATOM 1107 CG2 VAL A 68 119.782 5.618 -3.411 1.00 0.00 C ATOM 0 H VAL A 68 120.716 6.290 -0.763 1.00 0.00 H new ATOM 0 HA VAL A 68 118.156 7.163 -1.825 1.00 0.00 H new ATOM 0 HB VAL A 68 119.438 4.411 -1.686 1.00 0.00 H new ATOM 0 HG11 VAL A 68 117.777 3.789 -3.392 1.00 0.00 H new ATOM 0 HG12 VAL A 68 117.007 4.282 -1.865 1.00 0.00 H new ATOM 0 HG13 VAL A 68 117.034 5.400 -3.250 1.00 0.00 H new ATOM 0 HG21 VAL A 68 119.933 4.768 -4.076 1.00 0.00 H new ATOM 0 HG22 VAL A 68 119.287 6.422 -3.956 1.00 0.00 H new ATOM 0 HG23 VAL A 68 120.747 5.968 -3.045 1.00 0.00 H new ATOM 1117 N LYS A 69 116.680 6.524 0.054 1.00 0.00 N ATOM 1118 CA LYS A 69 115.794 6.196 1.155 1.00 0.00 C ATOM 1119 C LYS A 69 114.532 5.519 0.634 1.00 0.00 C ATOM 1120 O LYS A 69 114.028 5.869 -0.434 1.00 0.00 O ATOM 1121 CB LYS A 69 115.429 7.463 1.931 1.00 0.00 C ATOM 1122 CG LYS A 69 114.653 7.195 3.208 1.00 0.00 C ATOM 1123 CD LYS A 69 114.244 8.486 3.893 1.00 0.00 C ATOM 1124 CE LYS A 69 113.630 8.217 5.255 1.00 0.00 C ATOM 1125 NZ LYS A 69 114.617 7.617 6.190 1.00 0.00 N ATOM 0 H LYS A 69 116.318 7.236 -0.581 1.00 0.00 H new ATOM 0 HA LYS A 69 116.309 5.507 1.825 1.00 0.00 H new ATOM 0 HB2 LYS A 69 116.343 8.003 2.178 1.00 0.00 H new ATOM 0 HB3 LYS A 69 114.838 8.115 1.287 1.00 0.00 H new ATOM 0 HG2 LYS A 69 113.765 6.607 2.978 1.00 0.00 H new ATOM 0 HG3 LYS A 69 115.263 6.599 3.887 1.00 0.00 H new ATOM 0 HD2 LYS A 69 115.115 9.132 4.005 1.00 0.00 H new ATOM 0 HD3 LYS A 69 113.529 9.021 3.268 1.00 0.00 H new ATOM 0 HE2 LYS A 69 113.250 9.149 5.674 1.00 0.00 H new ATOM 0 HE3 LYS A 69 112.778 7.546 5.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 114.296 7.755 7.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 114.706 6.599 5.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 115.541 8.076 6.061 1.00 0.00 H new ATOM 1139 N LYS A 70 114.037 4.541 1.378 1.00 0.00 N ATOM 1140 CA LYS A 70 112.799 3.863 1.030 1.00 0.00 C ATOM 1141 C LYS A 70 111.705 4.216 2.029 1.00 0.00 C ATOM 1142 O LYS A 70 111.978 4.446 3.211 1.00 0.00 O ATOM 1143 CB LYS A 70 112.998 2.348 1.011 1.00 0.00 C ATOM 1144 CG LYS A 70 113.964 1.860 -0.053 1.00 0.00 C ATOM 1145 CD LYS A 70 114.142 0.356 0.031 1.00 0.00 C ATOM 1146 CE LYS A 70 115.046 -0.168 -1.070 1.00 0.00 C ATOM 1147 NZ LYS A 70 115.239 -1.636 -0.959 1.00 0.00 N ATOM 0 H LYS A 70 114.478 4.198 2.232 1.00 0.00 H new ATOM 0 HA LYS A 70 112.502 4.194 0.035 1.00 0.00 H new ATOM 0 HB2 LYS A 70 113.360 2.028 1.988 1.00 0.00 H new ATOM 0 HB3 LYS A 70 112.032 1.868 0.856 1.00 0.00 H new ATOM 0 HG2 LYS A 70 113.592 2.132 -1.041 1.00 0.00 H new ATOM 0 HG3 LYS A 70 114.928 2.353 0.071 1.00 0.00 H new ATOM 0 HD2 LYS A 70 114.562 0.094 1.002 1.00 0.00 H new ATOM 0 HD3 LYS A 70 113.168 -0.129 -0.037 1.00 0.00 H new ATOM 0 HE2 LYS A 70 114.615 0.071 -2.042 1.00 0.00 H new ATOM 0 HE3 LYS A 70 116.013 0.333 -1.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 115.861 -1.963 -1.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 115.673 -1.861 -0.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 114.318 -2.114 -1.033 1.00 0.00 H new ATOM 1161 N VAL A 71 110.472 4.251 1.555 1.00 0.00 N ATOM 1162 CA VAL A 71 109.334 4.530 2.413 1.00 0.00 C ATOM 1163 C VAL A 71 108.470 3.283 2.582 1.00 0.00 C ATOM 1164 O VAL A 71 108.033 2.668 1.606 1.00 0.00 O ATOM 1165 CB VAL A 71 108.479 5.707 1.882 1.00 0.00 C ATOM 1166 CG1 VAL A 71 109.250 7.016 1.987 1.00 0.00 C ATOM 1167 CG2 VAL A 71 108.038 5.467 0.444 1.00 0.00 C ATOM 0 H VAL A 71 110.233 4.089 0.577 1.00 0.00 H new ATOM 0 HA VAL A 71 109.729 4.824 3.385 1.00 0.00 H new ATOM 0 HB VAL A 71 107.585 5.774 2.501 1.00 0.00 H new ATOM 0 HG11 VAL A 71 108.634 7.832 1.609 1.00 0.00 H new ATOM 0 HG12 VAL A 71 109.505 7.206 3.030 1.00 0.00 H new ATOM 0 HG13 VAL A 71 110.164 6.948 1.397 1.00 0.00 H new ATOM 0 HG21 VAL A 71 107.440 6.311 0.101 1.00 0.00 H new ATOM 0 HG22 VAL A 71 108.916 5.362 -0.193 1.00 0.00 H new ATOM 0 HG23 VAL A 71 107.442 4.556 0.393 1.00 0.00 H new ATOM 1177 N LYS A 72 108.258 2.894 3.830 1.00 0.00 N ATOM 1178 CA LYS A 72 107.434 1.736 4.140 1.00 0.00 C ATOM 1179 C LYS A 72 105.974 2.160 4.281 1.00 0.00 C ATOM 1180 O LYS A 72 105.549 2.622 5.342 1.00 0.00 O ATOM 1181 CB LYS A 72 107.924 1.067 5.430 1.00 0.00 C ATOM 1182 CG LYS A 72 109.383 0.632 5.380 1.00 0.00 C ATOM 1183 CD LYS A 72 109.856 0.121 6.733 1.00 0.00 C ATOM 1184 CE LYS A 72 111.327 -0.276 6.710 1.00 0.00 C ATOM 1185 NZ LYS A 72 111.581 -1.455 5.837 1.00 0.00 N ATOM 0 H LYS A 72 108.647 3.365 4.647 1.00 0.00 H new ATOM 0 HA LYS A 72 107.513 1.016 3.326 1.00 0.00 H new ATOM 0 HB2 LYS A 72 107.789 1.759 6.261 1.00 0.00 H new ATOM 0 HB3 LYS A 72 107.302 0.196 5.636 1.00 0.00 H new ATOM 0 HG2 LYS A 72 109.506 -0.150 4.631 1.00 0.00 H new ATOM 0 HG3 LYS A 72 110.004 1.472 5.069 1.00 0.00 H new ATOM 0 HD2 LYS A 72 109.700 0.893 7.487 1.00 0.00 H new ATOM 0 HD3 LYS A 72 109.253 -0.738 7.027 1.00 0.00 H new ATOM 0 HE2 LYS A 72 111.923 0.567 6.361 1.00 0.00 H new ATOM 0 HE3 LYS A 72 111.656 -0.500 7.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 112.381 -2.001 6.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 110.733 -2.057 5.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 111.806 -1.132 4.874 1.00 0.00 H new ATOM 1199 N ILE A 73 105.221 2.028 3.198 1.00 0.00 N ATOM 1200 CA ILE A 73 103.836 2.474 3.170 1.00 0.00 C ATOM 1201 C ILE A 73 102.899 1.344 3.581 1.00 0.00 C ATOM 1202 O ILE A 73 102.971 0.239 3.048 1.00 0.00 O ATOM 1203 CB ILE A 73 103.439 2.980 1.766 1.00 0.00 C ATOM 1204 CG1 ILE A 73 104.448 4.019 1.269 1.00 0.00 C ATOM 1205 CG2 ILE A 73 102.037 3.575 1.796 1.00 0.00 C ATOM 1206 CD1 ILE A 73 104.187 4.491 -0.145 1.00 0.00 C ATOM 0 H ILE A 73 105.548 1.614 2.325 1.00 0.00 H new ATOM 0 HA ILE A 73 103.745 3.297 3.879 1.00 0.00 H new ATOM 0 HB ILE A 73 103.444 2.135 1.077 1.00 0.00 H new ATOM 0 HG12 ILE A 73 104.431 4.879 1.939 1.00 0.00 H new ATOM 0 HG13 ILE A 73 105.450 3.594 1.322 1.00 0.00 H new ATOM 0 HG21 ILE A 73 101.770 3.928 0.800 1.00 0.00 H new ATOM 0 HG22 ILE A 73 101.325 2.813 2.114 1.00 0.00 H new ATOM 0 HG23 ILE A 73 102.011 4.410 2.496 1.00 0.00 H new ATOM 0 HD11 ILE A 73 104.941 5.225 -0.428 1.00 0.00 H new ATOM 0 HD12 ILE A 73 104.233 3.642 -0.827 1.00 0.00 H new ATOM 0 HD13 ILE A 73 103.198 4.947 -0.200 1.00 0.00 H new ATOM 1218 N LYS A 74 102.022 1.626 4.529 1.00 0.00 N ATOM 1219 CA LYS A 74 101.083 0.632 5.017 1.00 0.00 C ATOM 1220 C LYS A 74 99.710 0.861 4.394 1.00 0.00 C ATOM 1221 O LYS A 74 99.061 1.881 4.647 1.00 0.00 O ATOM 1222 CB LYS A 74 101.000 0.702 6.544 1.00 0.00 C ATOM 1223 CG LYS A 74 100.263 -0.462 7.185 1.00 0.00 C ATOM 1224 CD LYS A 74 100.317 -0.365 8.702 1.00 0.00 C ATOM 1225 CE LYS A 74 99.710 -1.585 9.375 1.00 0.00 C ATOM 1226 NZ LYS A 74 99.817 -1.503 10.858 1.00 0.00 N ATOM 0 H LYS A 74 101.941 2.539 4.977 1.00 0.00 H new ATOM 0 HA LYS A 74 101.430 -0.361 4.732 1.00 0.00 H new ATOM 0 HB2 LYS A 74 102.011 0.744 6.949 1.00 0.00 H new ATOM 0 HB3 LYS A 74 100.504 1.631 6.827 1.00 0.00 H new ATOM 0 HG2 LYS A 74 99.225 -0.468 6.853 1.00 0.00 H new ATOM 0 HG3 LYS A 74 100.707 -1.403 6.860 1.00 0.00 H new ATOM 0 HD2 LYS A 74 101.353 -0.254 9.021 1.00 0.00 H new ATOM 0 HD3 LYS A 74 99.786 0.530 9.027 1.00 0.00 H new ATOM 0 HE2 LYS A 74 98.662 -1.675 9.090 1.00 0.00 H new ATOM 0 HE3 LYS A 74 100.215 -2.485 9.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 99.393 -2.352 11.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 100.819 -1.442 11.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 99.314 -0.658 11.196 1.00 0.00 H new ATOM 1240 N LYS A 75 99.280 -0.073 3.562 1.00 0.00 N ATOM 1241 CA LYS A 75 97.994 0.036 2.889 1.00 0.00 C ATOM 1242 C LYS A 75 97.121 -1.164 3.219 1.00 0.00 C ATOM 1243 O LYS A 75 97.601 -2.156 3.768 1.00 0.00 O ATOM 1244 CB LYS A 75 98.175 0.168 1.375 1.00 0.00 C ATOM 1245 CG LYS A 75 98.913 1.430 0.951 1.00 0.00 C ATOM 1246 CD LYS A 75 99.052 1.511 -0.561 1.00 0.00 C ATOM 1247 CE LYS A 75 99.877 2.716 -0.988 1.00 0.00 C ATOM 1248 NZ LYS A 75 99.197 4.008 -0.698 1.00 0.00 N ATOM 0 H LYS A 75 99.804 -0.918 3.335 1.00 0.00 H new ATOM 0 HA LYS A 75 97.498 0.938 3.248 1.00 0.00 H new ATOM 0 HB2 LYS A 75 98.720 -0.701 1.007 1.00 0.00 H new ATOM 0 HB3 LYS A 75 97.195 0.155 0.899 1.00 0.00 H new ATOM 0 HG2 LYS A 75 98.377 2.306 1.316 1.00 0.00 H new ATOM 0 HG3 LYS A 75 99.901 1.447 1.410 1.00 0.00 H new ATOM 0 HD2 LYS A 75 99.520 0.600 -0.932 1.00 0.00 H new ATOM 0 HD3 LYS A 75 98.063 1.569 -1.015 1.00 0.00 H new ATOM 0 HE2 LYS A 75 100.839 2.693 -0.476 1.00 0.00 H new ATOM 0 HE3 LYS A 75 100.083 2.650 -2.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 99.786 4.794 -1.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 98.276 4.031 -1.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 99.054 4.102 0.328 1.00 0.00 H new ATOM 1262 N VAL A 76 95.841 -1.072 2.894 1.00 0.00 N ATOM 1263 CA VAL A 76 94.891 -2.113 3.243 1.00 0.00 C ATOM 1264 C VAL A 76 94.132 -2.591 2.008 1.00 0.00 C ATOM 1265 O VAL A 76 93.900 -1.818 1.076 1.00 0.00 O ATOM 1266 CB VAL A 76 93.892 -1.603 4.310 1.00 0.00 C ATOM 1267 CG1 VAL A 76 93.041 -0.460 3.770 1.00 0.00 C ATOM 1268 CG2 VAL A 76 93.011 -2.729 4.815 1.00 0.00 C ATOM 0 H VAL A 76 95.437 -0.284 2.388 1.00 0.00 H new ATOM 0 HA VAL A 76 95.450 -2.953 3.656 1.00 0.00 H new ATOM 0 HB VAL A 76 94.475 -1.223 5.149 1.00 0.00 H new ATOM 0 HG11 VAL A 76 92.350 -0.124 4.543 1.00 0.00 H new ATOM 0 HG12 VAL A 76 93.687 0.367 3.477 1.00 0.00 H new ATOM 0 HG13 VAL A 76 92.477 -0.805 2.903 1.00 0.00 H new ATOM 0 HG21 VAL A 76 92.319 -2.342 5.563 1.00 0.00 H new ATOM 0 HG22 VAL A 76 92.447 -3.151 3.983 1.00 0.00 H new ATOM 0 HG23 VAL A 76 93.633 -3.505 5.262 1.00 0.00 H new ATOM 1278 N TYR A 77 93.774 -3.868 1.987 1.00 0.00 N ATOM 1279 CA TYR A 77 92.961 -4.411 0.912 1.00 0.00 C ATOM 1280 C TYR A 77 92.150 -5.605 1.398 1.00 0.00 C ATOM 1281 O TYR A 77 92.514 -6.255 2.379 1.00 0.00 O ATOM 1282 CB TYR A 77 93.833 -4.823 -0.285 1.00 0.00 C ATOM 1283 CG TYR A 77 94.723 -6.030 -0.050 1.00 0.00 C ATOM 1284 CD1 TYR A 77 94.266 -7.315 -0.320 1.00 0.00 C ATOM 1285 CD2 TYR A 77 96.022 -5.884 0.417 1.00 0.00 C ATOM 1286 CE1 TYR A 77 95.075 -8.417 -0.127 1.00 0.00 C ATOM 1287 CE2 TYR A 77 96.841 -6.983 0.607 1.00 0.00 C ATOM 1288 CZ TYR A 77 96.361 -8.248 0.335 1.00 0.00 C ATOM 1289 OH TYR A 77 97.175 -9.347 0.516 1.00 0.00 O ATOM 0 H TYR A 77 94.035 -4.546 2.703 1.00 0.00 H new ATOM 0 HA TYR A 77 92.275 -3.628 0.589 1.00 0.00 H new ATOM 0 HB2 TYR A 77 93.182 -5.031 -1.134 1.00 0.00 H new ATOM 0 HB3 TYR A 77 94.461 -3.977 -0.565 1.00 0.00 H new ATOM 0 HD1 TYR A 77 93.260 -7.454 -0.687 1.00 0.00 H new ATOM 0 HD2 TYR A 77 96.400 -4.896 0.636 1.00 0.00 H new ATOM 0 HE1 TYR A 77 94.701 -9.408 -0.338 1.00 0.00 H new ATOM 0 HE2 TYR A 77 97.851 -6.851 0.966 1.00 0.00 H new ATOM 0 HH TYR A 77 98.050 -9.055 0.846 1.00 0.00 H new ATOM 1299 N PHE A 78 91.045 -5.876 0.721 1.00 0.00 N ATOM 1300 CA PHE A 78 90.289 -7.093 0.968 1.00 0.00 C ATOM 1301 C PHE A 78 90.129 -7.854 -0.341 1.00 0.00 C ATOM 1302 O PHE A 78 90.233 -7.269 -1.422 1.00 0.00 O ATOM 1303 CB PHE A 78 88.924 -6.800 1.614 1.00 0.00 C ATOM 1304 CG PHE A 78 87.916 -6.124 0.722 1.00 0.00 C ATOM 1305 CD1 PHE A 78 87.832 -4.744 0.668 1.00 0.00 C ATOM 1306 CD2 PHE A 78 87.036 -6.875 -0.043 1.00 0.00 C ATOM 1307 CE1 PHE A 78 86.893 -4.124 -0.136 1.00 0.00 C ATOM 1308 CE2 PHE A 78 86.095 -6.261 -0.846 1.00 0.00 C ATOM 1309 CZ PHE A 78 86.024 -4.884 -0.893 1.00 0.00 C ATOM 0 H PHE A 78 90.653 -5.272 -0.001 1.00 0.00 H new ATOM 0 HA PHE A 78 90.840 -7.709 1.679 1.00 0.00 H new ATOM 0 HB2 PHE A 78 88.499 -7.740 1.966 1.00 0.00 H new ATOM 0 HB3 PHE A 78 89.084 -6.174 2.492 1.00 0.00 H new ATOM 0 HD1 PHE A 78 88.507 -4.144 1.260 1.00 0.00 H new ATOM 0 HD2 PHE A 78 87.087 -7.953 -0.010 1.00 0.00 H new ATOM 0 HE1 PHE A 78 86.840 -3.046 -0.172 1.00 0.00 H new ATOM 0 HE2 PHE A 78 85.416 -6.858 -1.436 1.00 0.00 H new ATOM 0 HZ PHE A 78 85.290 -4.401 -1.521 1.00 0.00 H new ATOM 1319 N GLU A 79 89.886 -9.150 -0.246 1.00 0.00 N ATOM 1320 CA GLU A 79 89.833 -9.993 -1.429 1.00 0.00 C ATOM 1321 C GLU A 79 88.409 -10.442 -1.721 1.00 0.00 C ATOM 1322 O GLU A 79 87.610 -10.650 -0.805 1.00 0.00 O ATOM 1323 CB GLU A 79 90.726 -11.220 -1.257 1.00 0.00 C ATOM 1324 CG GLU A 79 92.148 -10.891 -0.839 1.00 0.00 C ATOM 1325 CD GLU A 79 93.070 -12.086 -0.946 1.00 0.00 C ATOM 1326 OE1 GLU A 79 92.944 -13.015 -0.123 1.00 0.00 O ATOM 1327 OE2 GLU A 79 93.920 -12.100 -1.856 1.00 0.00 O ATOM 0 H GLU A 79 89.723 -9.640 0.634 1.00 0.00 H new ATOM 0 HA GLU A 79 90.193 -9.400 -2.269 1.00 0.00 H new ATOM 0 HB2 GLU A 79 90.282 -11.879 -0.511 1.00 0.00 H new ATOM 0 HB3 GLU A 79 90.752 -11.773 -2.196 1.00 0.00 H new ATOM 0 HG2 GLU A 79 92.530 -10.083 -1.463 1.00 0.00 H new ATOM 0 HG3 GLU A 79 92.147 -10.527 0.188 1.00 0.00 H new ATOM 1334 N THR A 80 88.102 -10.580 -2.999 1.00 0.00 N ATOM 1335 CA THR A 80 86.817 -11.099 -3.426 1.00 0.00 C ATOM 1336 C THR A 80 86.961 -12.554 -3.863 1.00 0.00 C ATOM 1337 O THR A 80 88.063 -13.107 -3.843 1.00 0.00 O ATOM 1338 CB THR A 80 86.247 -10.268 -4.592 1.00 0.00 C ATOM 1339 OG1 THR A 80 87.228 -10.150 -5.628 1.00 0.00 O ATOM 1340 CG2 THR A 80 85.830 -8.883 -4.118 1.00 0.00 C ATOM 0 H THR A 80 88.732 -10.337 -3.764 1.00 0.00 H new ATOM 0 HA THR A 80 86.129 -11.036 -2.583 1.00 0.00 H new ATOM 0 HB THR A 80 85.366 -10.779 -4.980 1.00 0.00 H new ATOM 0 HG1 THR A 80 87.922 -9.516 -5.351 1.00 0.00 H new ATOM 0 HG21 THR A 80 85.431 -8.316 -4.959 1.00 0.00 H new ATOM 0 HG22 THR A 80 85.064 -8.977 -3.348 1.00 0.00 H new ATOM 0 HG23 THR A 80 86.696 -8.363 -3.707 1.00 0.00 H new ATOM 1348 N LEU A 81 85.856 -13.168 -4.272 1.00 0.00 N ATOM 1349 CA LEU A 81 85.876 -14.548 -4.753 1.00 0.00 C ATOM 1350 C LEU A 81 86.636 -14.654 -6.071 1.00 0.00 C ATOM 1351 O LEU A 81 87.063 -15.735 -6.472 1.00 0.00 O ATOM 1352 CB LEU A 81 84.451 -15.083 -4.938 1.00 0.00 C ATOM 1353 CG LEU A 81 83.755 -15.604 -3.673 1.00 0.00 C ATOM 1354 CD1 LEU A 81 83.571 -14.498 -2.644 1.00 0.00 C ATOM 1355 CD2 LEU A 81 82.415 -16.223 -4.036 1.00 0.00 C ATOM 0 H LEU A 81 84.934 -12.733 -4.281 1.00 0.00 H new ATOM 0 HA LEU A 81 86.386 -15.151 -4.001 1.00 0.00 H new ATOM 0 HB2 LEU A 81 83.839 -14.288 -5.364 1.00 0.00 H new ATOM 0 HB3 LEU A 81 84.480 -15.890 -5.670 1.00 0.00 H new ATOM 0 HG LEU A 81 84.391 -16.367 -3.225 1.00 0.00 H new ATOM 0 HD11 LEU A 81 83.075 -14.901 -1.761 1.00 0.00 H new ATOM 0 HD12 LEU A 81 84.545 -14.097 -2.362 1.00 0.00 H new ATOM 0 HD13 LEU A 81 82.961 -13.702 -3.071 1.00 0.00 H new ATOM 0 HD21 LEU A 81 81.927 -16.590 -3.133 1.00 0.00 H new ATOM 0 HD22 LEU A 81 81.783 -15.471 -4.509 1.00 0.00 H new ATOM 0 HD23 LEU A 81 82.572 -17.052 -4.726 1.00 0.00 H new ATOM 1367 N ASP A 82 86.810 -13.520 -6.736 1.00 0.00 N ATOM 1368 CA ASP A 82 87.467 -13.485 -8.036 1.00 0.00 C ATOM 1369 C ASP A 82 88.953 -13.184 -7.878 1.00 0.00 C ATOM 1370 O ASP A 82 89.643 -12.914 -8.863 1.00 0.00 O ATOM 1371 CB ASP A 82 86.820 -12.421 -8.929 1.00 0.00 C ATOM 1372 CG ASP A 82 85.317 -12.578 -9.034 1.00 0.00 C ATOM 1373 OD1 ASP A 82 84.854 -13.382 -9.869 1.00 0.00 O ATOM 1374 OD2 ASP A 82 84.594 -11.894 -8.282 1.00 0.00 O ATOM 0 H ASP A 82 86.504 -12.609 -6.395 1.00 0.00 H new ATOM 0 HA ASP A 82 87.352 -14.464 -8.502 1.00 0.00 H new ATOM 0 HB2 ASP A 82 87.051 -11.432 -8.533 1.00 0.00 H new ATOM 0 HB3 ASP A 82 87.257 -12.475 -9.926 1.00 0.00 H new ATOM 1379 N ASN A 83 89.427 -13.207 -6.628 1.00 0.00 N ATOM 1380 CA ASN A 83 90.830 -12.920 -6.293 1.00 0.00 C ATOM 1381 C ASN A 83 91.150 -11.439 -6.514 1.00 0.00 C ATOM 1382 O ASN A 83 92.273 -10.987 -6.300 1.00 0.00 O ATOM 1383 CB ASN A 83 91.787 -13.825 -7.095 1.00 0.00 C ATOM 1384 CG ASN A 83 93.257 -13.626 -6.744 1.00 0.00 C ATOM 1385 OD1 ASN A 83 93.755 -14.168 -5.755 1.00 0.00 O ATOM 1386 ND2 ASN A 83 93.970 -12.882 -7.577 1.00 0.00 N ATOM 0 H ASN A 83 88.849 -13.425 -5.817 1.00 0.00 H new ATOM 0 HA ASN A 83 90.977 -13.140 -5.236 1.00 0.00 H new ATOM 0 HB2 ASN A 83 91.519 -14.867 -6.921 1.00 0.00 H new ATOM 0 HB3 ASN A 83 91.648 -13.634 -8.159 1.00 0.00 H new ATOM 0 HD21 ASN A 83 94.966 -12.742 -7.410 1.00 0.00 H new ATOM 0 HD22 ASN A 83 93.522 -12.450 -8.385 1.00 0.00 H new ATOM 1393 N VAL A 84 90.142 -10.675 -6.915 1.00 0.00 N ATOM 1394 CA VAL A 84 90.315 -9.250 -7.122 1.00 0.00 C ATOM 1395 C VAL A 84 90.447 -8.549 -5.779 1.00 0.00 C ATOM 1396 O VAL A 84 89.520 -8.562 -4.963 1.00 0.00 O ATOM 1397 CB VAL A 84 89.148 -8.635 -7.920 1.00 0.00 C ATOM 1398 CG1 VAL A 84 89.391 -7.154 -8.164 1.00 0.00 C ATOM 1399 CG2 VAL A 84 88.950 -9.371 -9.236 1.00 0.00 C ATOM 0 H VAL A 84 89.201 -11.020 -7.102 1.00 0.00 H new ATOM 0 HA VAL A 84 91.224 -9.109 -7.707 1.00 0.00 H new ATOM 0 HB VAL A 84 88.237 -8.741 -7.331 1.00 0.00 H new ATOM 0 HG11 VAL A 84 88.557 -6.737 -8.729 1.00 0.00 H new ATOM 0 HG12 VAL A 84 89.477 -6.637 -7.208 1.00 0.00 H new ATOM 0 HG13 VAL A 84 90.313 -7.025 -8.730 1.00 0.00 H new ATOM 0 HG21 VAL A 84 88.122 -8.921 -9.783 1.00 0.00 H new ATOM 0 HG22 VAL A 84 89.860 -9.301 -9.832 1.00 0.00 H new ATOM 0 HG23 VAL A 84 88.726 -10.419 -9.037 1.00 0.00 H new ATOM 1409 N ARG A 85 91.610 -7.969 -5.553 1.00 0.00 N ATOM 1410 CA ARG A 85 91.918 -7.323 -4.292 1.00 0.00 C ATOM 1411 C ARG A 85 91.616 -5.838 -4.360 1.00 0.00 C ATOM 1412 O ARG A 85 92.197 -5.113 -5.168 1.00 0.00 O ATOM 1413 CB ARG A 85 93.391 -7.537 -3.947 1.00 0.00 C ATOM 1414 CG ARG A 85 93.770 -8.998 -3.795 1.00 0.00 C ATOM 1415 CD ARG A 85 95.252 -9.160 -3.529 1.00 0.00 C ATOM 1416 NE ARG A 85 95.602 -10.540 -3.201 1.00 0.00 N ATOM 1417 CZ ARG A 85 96.813 -11.064 -3.382 1.00 0.00 C ATOM 1418 NH1 ARG A 85 97.791 -10.323 -3.892 1.00 0.00 N ATOM 1419 NH2 ARG A 85 97.043 -12.328 -3.054 1.00 0.00 N ATOM 0 H ARG A 85 92.366 -7.932 -6.237 1.00 0.00 H new ATOM 0 HA ARG A 85 91.295 -7.767 -3.515 1.00 0.00 H new ATOM 0 HB2 ARG A 85 94.007 -7.089 -4.726 1.00 0.00 H new ATOM 0 HB3 ARG A 85 93.619 -7.012 -3.019 1.00 0.00 H new ATOM 0 HG2 ARG A 85 93.202 -9.440 -2.976 1.00 0.00 H new ATOM 0 HG3 ARG A 85 93.500 -9.542 -4.700 1.00 0.00 H new ATOM 0 HD2 ARG A 85 95.815 -8.842 -4.407 1.00 0.00 H new ATOM 0 HD3 ARG A 85 95.546 -8.506 -2.708 1.00 0.00 H new ATOM 0 HE ARG A 85 94.875 -11.139 -2.810 1.00 0.00 H new ATOM 0 HH11 ARG A 85 97.615 -9.351 -4.146 1.00 0.00 H new ATOM 0 HH12 ARG A 85 98.718 -10.726 -4.030 1.00 0.00 H new ATOM 0 HH21 ARG A 85 96.293 -12.898 -2.663 1.00 0.00 H new ATOM 0 HH22 ARG A 85 97.970 -12.730 -3.192 1.00 0.00 H new ATOM 1433 N VAL A 86 90.703 -5.390 -3.520 1.00 0.00 N ATOM 1434 CA VAL A 86 90.355 -3.983 -3.459 1.00 0.00 C ATOM 1435 C VAL A 86 91.293 -3.264 -2.499 1.00 0.00 C ATOM 1436 O VAL A 86 91.183 -3.409 -1.283 1.00 0.00 O ATOM 1437 CB VAL A 86 88.890 -3.778 -3.023 1.00 0.00 C ATOM 1438 CG1 VAL A 86 88.541 -2.300 -2.990 1.00 0.00 C ATOM 1439 CG2 VAL A 86 87.949 -4.534 -3.950 1.00 0.00 C ATOM 0 H VAL A 86 90.187 -5.982 -2.869 1.00 0.00 H new ATOM 0 HA VAL A 86 90.463 -3.564 -4.459 1.00 0.00 H new ATOM 0 HB VAL A 86 88.772 -4.176 -2.015 1.00 0.00 H new ATOM 0 HG11 VAL A 86 87.503 -2.178 -2.680 1.00 0.00 H new ATOM 0 HG12 VAL A 86 89.194 -1.788 -2.283 1.00 0.00 H new ATOM 0 HG13 VAL A 86 88.676 -1.872 -3.983 1.00 0.00 H new ATOM 0 HG21 VAL A 86 86.919 -4.379 -3.628 1.00 0.00 H new ATOM 0 HG22 VAL A 86 88.070 -4.167 -4.969 1.00 0.00 H new ATOM 0 HG23 VAL A 86 88.183 -5.598 -3.917 1.00 0.00 H new ATOM 1449 N VAL A 87 92.227 -2.509 -3.061 1.00 0.00 N ATOM 1450 CA VAL A 87 93.282 -1.875 -2.283 1.00 0.00 C ATOM 1451 C VAL A 87 92.988 -0.395 -2.065 1.00 0.00 C ATOM 1452 O VAL A 87 92.478 0.287 -2.956 1.00 0.00 O ATOM 1453 CB VAL A 87 94.655 -2.015 -2.981 1.00 0.00 C ATOM 1454 CG1 VAL A 87 95.777 -1.506 -2.086 1.00 0.00 C ATOM 1455 CG2 VAL A 87 94.912 -3.456 -3.395 1.00 0.00 C ATOM 0 H VAL A 87 92.275 -2.320 -4.062 1.00 0.00 H new ATOM 0 HA VAL A 87 93.316 -2.384 -1.320 1.00 0.00 H new ATOM 0 HB VAL A 87 94.634 -1.401 -3.882 1.00 0.00 H new ATOM 0 HG11 VAL A 87 96.731 -1.616 -2.601 1.00 0.00 H new ATOM 0 HG12 VAL A 87 95.609 -0.454 -1.854 1.00 0.00 H new ATOM 0 HG13 VAL A 87 95.795 -2.083 -1.161 1.00 0.00 H new ATOM 0 HG21 VAL A 87 95.884 -3.526 -3.883 1.00 0.00 H new ATOM 0 HG22 VAL A 87 94.902 -4.095 -2.512 1.00 0.00 H new ATOM 0 HG23 VAL A 87 94.134 -3.780 -4.086 1.00 0.00 H new ATOM 1465 N THR A 88 93.301 0.086 -0.873 1.00 0.00 N ATOM 1466 CA THR A 88 93.171 1.493 -0.536 1.00 0.00 C ATOM 1467 C THR A 88 94.209 1.858 0.528 1.00 0.00 C ATOM 1468 O THR A 88 94.617 1.003 1.316 1.00 0.00 O ATOM 1469 CB THR A 88 91.743 1.805 -0.033 1.00 0.00 C ATOM 1470 OG1 THR A 88 90.795 1.505 -1.064 1.00 0.00 O ATOM 1471 CG2 THR A 88 91.594 3.262 0.376 1.00 0.00 C ATOM 0 H THR A 88 93.654 -0.491 -0.109 1.00 0.00 H new ATOM 0 HA THR A 88 93.348 2.092 -1.430 1.00 0.00 H new ATOM 0 HB THR A 88 91.558 1.186 0.845 1.00 0.00 H new ATOM 0 HG1 THR A 88 90.049 0.995 -0.684 1.00 0.00 H new ATOM 0 HG21 THR A 88 90.576 3.440 0.723 1.00 0.00 H new ATOM 0 HG22 THR A 88 92.296 3.488 1.178 1.00 0.00 H new ATOM 0 HG23 THR A 88 91.803 3.903 -0.480 1.00 0.00 H new ATOM 1479 N ASP A 89 94.668 3.105 0.529 1.00 0.00 N ATOM 1480 CA ASP A 89 95.657 3.542 1.507 1.00 0.00 C ATOM 1481 C ASP A 89 95.069 3.495 2.913 1.00 0.00 C ATOM 1482 O ASP A 89 94.025 4.087 3.182 1.00 0.00 O ATOM 1483 CB ASP A 89 96.154 4.950 1.196 1.00 0.00 C ATOM 1484 CG ASP A 89 97.316 5.342 2.082 1.00 0.00 C ATOM 1485 OD1 ASP A 89 97.077 5.842 3.198 1.00 0.00 O ATOM 1486 OD2 ASP A 89 98.476 5.132 1.670 1.00 0.00 O ATOM 0 H ASP A 89 94.374 3.825 -0.131 1.00 0.00 H new ATOM 0 HA ASP A 89 96.506 2.860 1.452 1.00 0.00 H new ATOM 0 HB2 ASP A 89 96.458 5.006 0.151 1.00 0.00 H new ATOM 0 HB3 ASP A 89 95.339 5.661 1.329 1.00 0.00 H new ATOM 1491 N TYR A 90 95.757 2.796 3.807 1.00 0.00 N ATOM 1492 CA TYR A 90 95.245 2.540 5.147 1.00 0.00 C ATOM 1493 C TYR A 90 95.354 3.775 6.032 1.00 0.00 C ATOM 1494 O TYR A 90 94.581 3.936 6.975 1.00 0.00 O ATOM 1495 CB TYR A 90 95.994 1.363 5.778 1.00 0.00 C ATOM 1496 CG TYR A 90 95.361 0.834 7.047 1.00 0.00 C ATOM 1497 CD1 TYR A 90 94.023 0.464 7.072 1.00 0.00 C ATOM 1498 CD2 TYR A 90 96.101 0.704 8.215 1.00 0.00 C ATOM 1499 CE1 TYR A 90 93.437 -0.021 8.225 1.00 0.00 C ATOM 1500 CE2 TYR A 90 95.522 0.217 9.372 1.00 0.00 C ATOM 1501 CZ TYR A 90 94.190 -0.143 9.371 1.00 0.00 C ATOM 1502 OH TYR A 90 93.608 -0.627 10.519 1.00 0.00 O ATOM 0 H TYR A 90 96.677 2.394 3.626 1.00 0.00 H new ATOM 0 HA TYR A 90 94.188 2.288 5.062 1.00 0.00 H new ATOM 0 HB2 TYR A 90 96.055 0.553 5.051 1.00 0.00 H new ATOM 0 HB3 TYR A 90 97.016 1.672 5.997 1.00 0.00 H new ATOM 0 HD1 TYR A 90 93.430 0.557 6.174 1.00 0.00 H new ATOM 0 HD2 TYR A 90 97.143 0.987 8.219 1.00 0.00 H new ATOM 0 HE1 TYR A 90 92.394 -0.303 8.227 1.00 0.00 H new ATOM 0 HE2 TYR A 90 96.110 0.119 10.273 1.00 0.00 H new ATOM 0 HH TYR A 90 94.274 -0.652 11.238 1.00 0.00 H new ATOM 1512 N SER A 91 96.290 4.659 5.718 1.00 0.00 N ATOM 1513 CA SER A 91 96.467 5.864 6.508 1.00 0.00 C ATOM 1514 C SER A 91 95.338 6.842 6.206 1.00 0.00 C ATOM 1515 O SER A 91 94.744 7.419 7.118 1.00 0.00 O ATOM 1516 CB SER A 91 97.830 6.506 6.231 1.00 0.00 C ATOM 1517 OG SER A 91 98.121 7.520 7.183 1.00 0.00 O ATOM 0 H SER A 91 96.931 4.565 4.930 1.00 0.00 H new ATOM 0 HA SER A 91 96.436 5.600 7.565 1.00 0.00 H new ATOM 0 HB2 SER A 91 98.607 5.743 6.259 1.00 0.00 H new ATOM 0 HB3 SER A 91 97.838 6.932 5.228 1.00 0.00 H new ATOM 0 HG SER A 91 98.997 7.913 6.985 1.00 0.00 H new ATOM 1523 N GLU A 92 95.028 7.003 4.925 1.00 0.00 N ATOM 1524 CA GLU A 92 93.923 7.859 4.515 1.00 0.00 C ATOM 1525 C GLU A 92 92.583 7.233 4.893 1.00 0.00 C ATOM 1526 O GLU A 92 91.610 7.938 5.161 1.00 0.00 O ATOM 1527 CB GLU A 92 93.982 8.132 3.013 1.00 0.00 C ATOM 1528 CG GLU A 92 95.187 8.957 2.597 1.00 0.00 C ATOM 1529 CD GLU A 92 95.258 10.285 3.324 1.00 0.00 C ATOM 1530 OE1 GLU A 92 94.443 11.178 3.020 1.00 0.00 O ATOM 1531 OE2 GLU A 92 96.127 10.441 4.210 1.00 0.00 O ATOM 0 H GLU A 92 95.524 6.554 4.155 1.00 0.00 H new ATOM 0 HA GLU A 92 94.016 8.809 5.042 1.00 0.00 H new ATOM 0 HB2 GLU A 92 94.000 7.182 2.479 1.00 0.00 H new ATOM 0 HB3 GLU A 92 93.073 8.651 2.710 1.00 0.00 H new ATOM 0 HG2 GLU A 92 96.097 8.390 2.793 1.00 0.00 H new ATOM 0 HG3 GLU A 92 95.148 9.136 1.523 1.00 0.00 H new ATOM 1538 N PHE A 93 92.539 5.907 4.921 1.00 0.00 N ATOM 1539 CA PHE A 93 91.350 5.197 5.372 1.00 0.00 C ATOM 1540 C PHE A 93 91.106 5.476 6.853 1.00 0.00 C ATOM 1541 O PHE A 93 90.014 5.888 7.243 1.00 0.00 O ATOM 1542 CB PHE A 93 91.490 3.691 5.132 1.00 0.00 C ATOM 1543 CG PHE A 93 90.324 2.886 5.639 1.00 0.00 C ATOM 1544 CD1 PHE A 93 89.080 2.990 5.039 1.00 0.00 C ATOM 1545 CD2 PHE A 93 90.475 2.029 6.719 1.00 0.00 C ATOM 1546 CE1 PHE A 93 88.006 2.255 5.508 1.00 0.00 C ATOM 1547 CE2 PHE A 93 89.406 1.293 7.191 1.00 0.00 C ATOM 1548 CZ PHE A 93 88.170 1.405 6.585 1.00 0.00 C ATOM 0 H PHE A 93 93.311 5.303 4.638 1.00 0.00 H new ATOM 0 HA PHE A 93 90.496 5.555 4.797 1.00 0.00 H new ATOM 0 HB2 PHE A 93 91.606 3.512 4.063 1.00 0.00 H new ATOM 0 HB3 PHE A 93 92.401 3.338 5.615 1.00 0.00 H new ATOM 0 HD1 PHE A 93 88.947 3.652 4.196 1.00 0.00 H new ATOM 0 HD2 PHE A 93 91.439 1.936 7.196 1.00 0.00 H new ATOM 0 HE1 PHE A 93 87.040 2.345 5.033 1.00 0.00 H new ATOM 0 HE2 PHE A 93 89.536 0.630 8.034 1.00 0.00 H new ATOM 0 HZ PHE A 93 87.333 0.829 6.952 1.00 0.00 H new ATOM 1558 N GLN A 94 92.137 5.267 7.669 1.00 0.00 N ATOM 1559 CA GLN A 94 92.047 5.543 9.098 1.00 0.00 C ATOM 1560 C GLN A 94 91.807 7.027 9.354 1.00 0.00 C ATOM 1561 O GLN A 94 91.214 7.399 10.362 1.00 0.00 O ATOM 1562 CB GLN A 94 93.314 5.089 9.826 1.00 0.00 C ATOM 1563 CG GLN A 94 93.396 3.587 10.035 1.00 0.00 C ATOM 1564 CD GLN A 94 94.482 3.199 11.021 1.00 0.00 C ATOM 1565 OE1 GLN A 94 95.501 3.879 11.150 1.00 0.00 O ATOM 1566 NE2 GLN A 94 94.276 2.098 11.724 1.00 0.00 N ATOM 0 H GLN A 94 93.042 4.908 7.364 1.00 0.00 H new ATOM 0 HA GLN A 94 91.199 4.979 9.487 1.00 0.00 H new ATOM 0 HB2 GLN A 94 94.185 5.415 9.258 1.00 0.00 H new ATOM 0 HB3 GLN A 94 93.362 5.585 10.796 1.00 0.00 H new ATOM 0 HG2 GLN A 94 92.435 3.220 10.394 1.00 0.00 H new ATOM 0 HG3 GLN A 94 93.586 3.100 9.079 1.00 0.00 H new ATOM 0 HE21 GLN A 94 93.420 1.560 11.590 1.00 0.00 H new ATOM 0 HE22 GLN A 94 94.973 1.787 12.400 1.00 0.00 H new ATOM 1575 N LYS A 95 92.269 7.862 8.436 1.00 0.00 N ATOM 1576 CA LYS A 95 92.051 9.301 8.513 1.00 0.00 C ATOM 1577 C LYS A 95 90.553 9.602 8.547 1.00 0.00 C ATOM 1578 O LYS A 95 90.073 10.312 9.431 1.00 0.00 O ATOM 1579 CB LYS A 95 92.730 9.982 7.312 1.00 0.00 C ATOM 1580 CG LYS A 95 92.735 11.506 7.337 1.00 0.00 C ATOM 1581 CD LYS A 95 91.418 12.093 6.857 1.00 0.00 C ATOM 1582 CE LYS A 95 91.565 13.561 6.501 1.00 0.00 C ATOM 1583 NZ LYS A 95 92.481 13.755 5.345 1.00 0.00 N ATOM 0 H LYS A 95 92.803 7.565 7.620 1.00 0.00 H new ATOM 0 HA LYS A 95 92.491 9.694 9.430 1.00 0.00 H new ATOM 0 HB2 LYS A 95 93.761 9.634 7.255 1.00 0.00 H new ATOM 0 HB3 LYS A 95 92.231 9.653 6.400 1.00 0.00 H new ATOM 0 HG2 LYS A 95 92.936 11.850 8.352 1.00 0.00 H new ATOM 0 HG3 LYS A 95 93.546 11.875 6.709 1.00 0.00 H new ATOM 0 HD2 LYS A 95 91.066 11.539 5.987 1.00 0.00 H new ATOM 0 HD3 LYS A 95 90.662 11.979 7.634 1.00 0.00 H new ATOM 0 HE2 LYS A 95 90.586 13.978 6.264 1.00 0.00 H new ATOM 0 HE3 LYS A 95 91.945 14.109 7.363 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 92.249 14.648 4.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 93.464 13.788 5.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 92.371 12.965 4.678 1.00 0.00 H new ATOM 1597 N ILE A 96 89.819 9.035 7.594 1.00 0.00 N ATOM 1598 CA ILE A 96 88.373 9.229 7.519 1.00 0.00 C ATOM 1599 C ILE A 96 87.671 8.447 8.630 1.00 0.00 C ATOM 1600 O ILE A 96 86.640 8.872 9.158 1.00 0.00 O ATOM 1601 CB ILE A 96 87.825 8.791 6.142 1.00 0.00 C ATOM 1602 CG1 ILE A 96 88.566 9.530 5.024 1.00 0.00 C ATOM 1603 CG2 ILE A 96 86.326 9.052 6.049 1.00 0.00 C ATOM 1604 CD1 ILE A 96 88.171 9.089 3.631 1.00 0.00 C ATOM 0 H ILE A 96 90.202 8.437 6.862 1.00 0.00 H new ATOM 0 HA ILE A 96 88.171 10.292 7.649 1.00 0.00 H new ATOM 0 HB ILE A 96 87.991 7.720 6.028 1.00 0.00 H new ATOM 0 HG12 ILE A 96 88.379 10.599 5.123 1.00 0.00 H new ATOM 0 HG13 ILE A 96 89.638 9.381 5.152 1.00 0.00 H new ATOM 0 HG21 ILE A 96 85.962 8.736 5.071 1.00 0.00 H new ATOM 0 HG22 ILE A 96 85.810 8.490 6.828 1.00 0.00 H new ATOM 0 HG23 ILE A 96 86.133 10.117 6.181 1.00 0.00 H new ATOM 0 HD11 ILE A 96 88.739 9.658 2.895 1.00 0.00 H new ATOM 0 HD12 ILE A 96 88.384 8.027 3.512 1.00 0.00 H new ATOM 0 HD13 ILE A 96 87.106 9.264 3.482 1.00 0.00 H new ATOM 1616 N LEU A 97 88.253 7.310 8.983 1.00 0.00 N ATOM 1617 CA LEU A 97 87.749 6.480 10.071 1.00 0.00 C ATOM 1618 C LEU A 97 87.738 7.280 11.381 1.00 0.00 C ATOM 1619 O LEU A 97 86.723 7.338 12.083 1.00 0.00 O ATOM 1620 CB LEU A 97 88.636 5.232 10.200 1.00 0.00 C ATOM 1621 CG LEU A 97 87.915 3.916 10.511 1.00 0.00 C ATOM 1622 CD1 LEU A 97 87.370 3.914 11.926 1.00 0.00 C ATOM 1623 CD2 LEU A 97 86.796 3.669 9.509 1.00 0.00 C ATOM 0 H LEU A 97 89.085 6.937 8.526 1.00 0.00 H new ATOM 0 HA LEU A 97 86.726 6.169 9.857 1.00 0.00 H new ATOM 0 HB2 LEU A 97 89.189 5.107 9.269 1.00 0.00 H new ATOM 0 HB3 LEU A 97 89.370 5.414 10.985 1.00 0.00 H new ATOM 0 HG LEU A 97 88.641 3.107 10.427 1.00 0.00 H new ATOM 0 HD11 LEU A 97 86.863 2.968 12.119 1.00 0.00 H new ATOM 0 HD12 LEU A 97 88.191 4.037 12.632 1.00 0.00 H new ATOM 0 HD13 LEU A 97 86.663 4.735 12.045 1.00 0.00 H new ATOM 0 HD21 LEU A 97 86.296 2.730 9.746 1.00 0.00 H new ATOM 0 HD22 LEU A 97 86.076 4.486 9.559 1.00 0.00 H new ATOM 0 HD23 LEU A 97 87.213 3.614 8.504 1.00 0.00 H new ATOM 1635 N LYS A 98 88.872 7.910 11.687 1.00 0.00 N ATOM 1636 CA LYS A 98 88.993 8.776 12.858 1.00 0.00 C ATOM 1637 C LYS A 98 88.109 10.007 12.707 1.00 0.00 C ATOM 1638 O LYS A 98 87.542 10.504 13.679 1.00 0.00 O ATOM 1639 CB LYS A 98 90.443 9.231 13.041 1.00 0.00 C ATOM 1640 CG LYS A 98 91.421 8.119 13.377 1.00 0.00 C ATOM 1641 CD LYS A 98 92.849 8.637 13.360 1.00 0.00 C ATOM 1642 CE LYS A 98 93.844 7.582 13.813 1.00 0.00 C ATOM 1643 NZ LYS A 98 93.638 7.199 15.235 1.00 0.00 N ATOM 0 H LYS A 98 89.726 7.835 11.135 1.00 0.00 H new ATOM 0 HA LYS A 98 88.676 8.203 13.730 1.00 0.00 H new ATOM 0 HB2 LYS A 98 90.773 9.722 12.126 1.00 0.00 H new ATOM 0 HB3 LYS A 98 90.477 9.978 13.834 1.00 0.00 H new ATOM 0 HG2 LYS A 98 91.189 7.709 14.360 1.00 0.00 H new ATOM 0 HG3 LYS A 98 91.315 7.306 12.659 1.00 0.00 H new ATOM 0 HD2 LYS A 98 93.103 8.966 12.352 1.00 0.00 H new ATOM 0 HD3 LYS A 98 92.926 9.510 14.009 1.00 0.00 H new ATOM 0 HE2 LYS A 98 93.749 6.699 13.182 1.00 0.00 H new ATOM 0 HE3 LYS A 98 94.858 7.960 13.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 94.465 6.667 15.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 93.517 8.056 15.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 92.788 6.606 15.315 1.00 0.00 H new ATOM 1657 N LYS A 99 88.017 10.491 11.475 1.00 0.00 N ATOM 1658 CA LYS A 99 87.230 11.673 11.149 1.00 0.00 C ATOM 1659 C LYS A 99 85.770 11.498 11.561 1.00 0.00 C ATOM 1660 O LYS A 99 85.157 12.417 12.109 1.00 0.00 O ATOM 1661 CB LYS A 99 87.331 11.963 9.649 1.00 0.00 C ATOM 1662 CG LYS A 99 86.314 12.966 9.142 1.00 0.00 C ATOM 1663 CD LYS A 99 86.509 13.265 7.666 1.00 0.00 C ATOM 1664 CE LYS A 99 85.338 14.059 7.108 1.00 0.00 C ATOM 1665 NZ LYS A 99 84.985 15.208 7.978 1.00 0.00 N ATOM 0 H LYS A 99 88.487 10.074 10.672 1.00 0.00 H new ATOM 0 HA LYS A 99 87.632 12.519 11.707 1.00 0.00 H new ATOM 0 HB2 LYS A 99 88.332 12.334 9.428 1.00 0.00 H new ATOM 0 HB3 LYS A 99 87.209 11.029 9.100 1.00 0.00 H new ATOM 0 HG2 LYS A 99 85.308 12.579 9.305 1.00 0.00 H new ATOM 0 HG3 LYS A 99 86.397 13.890 9.715 1.00 0.00 H new ATOM 0 HD2 LYS A 99 87.433 13.826 7.525 1.00 0.00 H new ATOM 0 HD3 LYS A 99 86.615 12.331 7.114 1.00 0.00 H new ATOM 0 HE2 LYS A 99 85.587 14.422 6.111 1.00 0.00 H new ATOM 0 HE3 LYS A 99 84.473 13.404 7.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 84.369 15.863 7.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 84.487 14.863 8.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 85.852 15.705 8.266 1.00 0.00 H new ATOM 1679 N ARG A 100 85.223 10.319 11.303 1.00 0.00 N ATOM 1680 CA ARG A 100 83.845 10.025 11.662 1.00 0.00 C ATOM 1681 C ARG A 100 83.703 9.838 13.167 1.00 0.00 C ATOM 1682 O ARG A 100 82.737 10.295 13.775 1.00 0.00 O ATOM 1683 CB ARG A 100 83.364 8.765 10.947 1.00 0.00 C ATOM 1684 CG ARG A 100 81.911 8.433 11.231 1.00 0.00 C ATOM 1685 CD ARG A 100 81.563 7.034 10.762 1.00 0.00 C ATOM 1686 NE ARG A 100 80.144 6.736 10.925 1.00 0.00 N ATOM 1687 CZ ARG A 100 79.636 5.509 10.893 1.00 0.00 C ATOM 1688 NH1 ARG A 100 80.442 4.455 10.805 1.00 0.00 N ATOM 1689 NH2 ARG A 100 78.326 5.334 10.979 1.00 0.00 N ATOM 0 H ARG A 100 85.714 9.550 10.846 1.00 0.00 H new ATOM 0 HA ARG A 100 83.233 10.872 11.352 1.00 0.00 H new ATOM 0 HB2 ARG A 100 83.498 8.892 9.873 1.00 0.00 H new ATOM 0 HB3 ARG A 100 83.988 7.924 11.249 1.00 0.00 H new ATOM 0 HG2 ARG A 100 81.719 8.519 12.300 1.00 0.00 H new ATOM 0 HG3 ARG A 100 81.266 9.157 10.732 1.00 0.00 H new ATOM 0 HD2 ARG A 100 81.837 6.926 9.713 1.00 0.00 H new ATOM 0 HD3 ARG A 100 82.152 6.308 11.322 1.00 0.00 H new ATOM 0 HE ARG A 100 79.504 7.516 11.072 1.00 0.00 H new ATOM 0 HH11 ARG A 100 81.452 4.588 10.762 1.00 0.00 H new ATOM 0 HH12 ARG A 100 80.050 3.514 10.781 1.00 0.00 H new ATOM 0 HH21 ARG A 100 77.709 6.141 11.070 1.00 0.00 H new ATOM 0 HH22 ARG A 100 77.935 4.392 10.955 1.00 0.00 H new ATOM 1703 N GLY A 101 84.674 9.163 13.762 1.00 0.00 N ATOM 1704 CA GLY A 101 84.611 8.869 15.178 1.00 0.00 C ATOM 1705 C GLY A 101 84.400 7.393 15.441 1.00 0.00 C ATOM 1706 O GLY A 101 84.018 6.995 16.544 1.00 0.00 O ATOM 0 H GLY A 101 85.507 8.813 13.288 1.00 0.00 H new ATOM 0 HA2 GLY A 101 85.534 9.195 15.657 1.00 0.00 H new ATOM 0 HA3 GLY A 101 83.799 9.438 15.631 1.00 0.00 H new ATOM 1710 N THR A 102 84.635 6.582 14.422 1.00 0.00 N ATOM 1711 CA THR A 102 84.539 5.140 14.557 1.00 0.00 C ATOM 1712 C THR A 102 85.834 4.594 15.149 1.00 0.00 C ATOM 1713 O THR A 102 86.922 5.062 14.811 1.00 0.00 O ATOM 1714 CB THR A 102 84.283 4.474 13.188 1.00 0.00 C ATOM 1715 OG1 THR A 102 83.203 5.135 12.517 1.00 0.00 O ATOM 1716 CG2 THR A 102 83.951 2.996 13.349 1.00 0.00 C ATOM 0 H THR A 102 84.895 6.901 13.489 1.00 0.00 H new ATOM 0 HA THR A 102 83.702 4.912 15.217 1.00 0.00 H new ATOM 0 HB THR A 102 85.194 4.562 12.595 1.00 0.00 H new ATOM 0 HG1 THR A 102 82.684 5.655 13.166 1.00 0.00 H new ATOM 0 HG21 THR A 102 83.776 2.554 12.368 1.00 0.00 H new ATOM 0 HG22 THR A 102 84.784 2.487 13.833 1.00 0.00 H new ATOM 0 HG23 THR A 102 83.055 2.889 13.961 1.00 0.00 H new ATOM 1724 N LYS A 103 85.721 3.633 16.048 1.00 0.00 N ATOM 1725 CA LYS A 103 86.892 3.018 16.646 1.00 0.00 C ATOM 1726 C LYS A 103 87.008 1.566 16.203 1.00 0.00 C ATOM 1727 O LYS A 103 86.064 0.787 16.339 1.00 0.00 O ATOM 1728 CB LYS A 103 86.832 3.113 18.172 1.00 0.00 C ATOM 1729 CG LYS A 103 86.759 4.546 18.681 1.00 0.00 C ATOM 1730 CD LYS A 103 86.816 4.617 20.200 1.00 0.00 C ATOM 1731 CE LYS A 103 85.657 3.877 20.847 1.00 0.00 C ATOM 1732 NZ LYS A 103 85.625 4.086 22.317 1.00 0.00 N ATOM 0 H LYS A 103 84.831 3.262 16.380 1.00 0.00 H new ATOM 0 HA LYS A 103 87.777 3.556 16.307 1.00 0.00 H new ATOM 0 HB2 LYS A 103 85.962 2.562 18.530 1.00 0.00 H new ATOM 0 HB3 LYS A 103 87.712 2.628 18.595 1.00 0.00 H new ATOM 0 HG2 LYS A 103 87.583 5.122 18.260 1.00 0.00 H new ATOM 0 HG3 LYS A 103 85.836 5.008 18.331 1.00 0.00 H new ATOM 0 HD2 LYS A 103 87.757 4.192 20.548 1.00 0.00 H new ATOM 0 HD3 LYS A 103 86.802 5.660 20.515 1.00 0.00 H new ATOM 0 HE2 LYS A 103 84.718 4.218 20.410 1.00 0.00 H new ATOM 0 HE3 LYS A 103 85.740 2.812 20.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 84.821 3.566 22.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 86.511 3.738 22.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 85.520 5.100 22.521 1.00 0.00 H new ATOM 1746 N LEU A 104 88.161 1.221 15.649 1.00 0.00 N ATOM 1747 CA LEU A 104 88.407 -0.131 15.167 1.00 0.00 C ATOM 1748 C LEU A 104 88.586 -1.088 16.336 1.00 0.00 C ATOM 1749 O LEU A 104 89.390 -0.838 17.236 1.00 0.00 O ATOM 1750 CB LEU A 104 89.650 -0.160 14.274 1.00 0.00 C ATOM 1751 CG LEU A 104 89.564 0.702 13.012 1.00 0.00 C ATOM 1752 CD1 LEU A 104 90.883 0.674 12.258 1.00 0.00 C ATOM 1753 CD2 LEU A 104 88.430 0.228 12.116 1.00 0.00 C ATOM 0 H LEU A 104 88.944 1.862 15.522 1.00 0.00 H new ATOM 0 HA LEU A 104 87.544 -0.449 14.582 1.00 0.00 H new ATOM 0 HB2 LEU A 104 90.508 0.168 14.861 1.00 0.00 H new ATOM 0 HB3 LEU A 104 89.842 -1.191 13.978 1.00 0.00 H new ATOM 0 HG LEU A 104 89.358 1.730 13.312 1.00 0.00 H new ATOM 0 HD11 LEU A 104 90.804 1.292 11.364 1.00 0.00 H new ATOM 0 HD12 LEU A 104 91.676 1.061 12.898 1.00 0.00 H new ATOM 0 HD13 LEU A 104 91.116 -0.351 11.971 1.00 0.00 H new ATOM 0 HD21 LEU A 104 88.385 0.853 11.224 1.00 0.00 H new ATOM 0 HD22 LEU A 104 88.605 -0.808 11.825 1.00 0.00 H new ATOM 0 HD23 LEU A 104 87.486 0.298 12.656 1.00 0.00 H new ATOM 1765 N GLU A 105 87.850 -2.193 16.302 1.00 0.00 N ATOM 1766 CA GLU A 105 87.867 -3.174 17.384 1.00 0.00 C ATOM 1767 C GLU A 105 89.274 -3.724 17.598 1.00 0.00 C ATOM 1768 O GLU A 105 89.676 -3.987 18.721 1.00 0.00 O ATOM 1769 CB GLU A 105 86.903 -4.323 17.071 1.00 0.00 C ATOM 1770 CG GLU A 105 85.961 -4.674 18.216 1.00 0.00 C ATOM 1771 CD GLU A 105 86.673 -5.146 19.469 1.00 0.00 C ATOM 1772 OE1 GLU A 105 87.119 -6.314 19.503 1.00 0.00 O ATOM 1773 OE2 GLU A 105 86.767 -4.357 20.435 1.00 0.00 O ATOM 0 H GLU A 105 87.228 -2.434 15.530 1.00 0.00 H new ATOM 0 HA GLU A 105 87.547 -2.675 18.299 1.00 0.00 H new ATOM 0 HB2 GLU A 105 86.310 -4.058 16.196 1.00 0.00 H new ATOM 0 HB3 GLU A 105 87.483 -5.208 16.807 1.00 0.00 H new ATOM 0 HG2 GLU A 105 85.358 -3.799 18.459 1.00 0.00 H new ATOM 0 HG3 GLU A 105 85.274 -5.453 17.884 1.00 0.00 H new ATOM 1780 N HIS A 106 90.036 -3.852 16.514 1.00 0.00 N ATOM 1781 CA HIS A 106 91.383 -4.427 16.580 1.00 0.00 C ATOM 1782 C HIS A 106 92.357 -3.486 17.305 1.00 0.00 C ATOM 1783 O HIS A 106 93.509 -3.834 17.547 1.00 0.00 O ATOM 1784 CB HIS A 106 91.890 -4.753 15.164 1.00 0.00 C ATOM 1785 CG HIS A 106 93.120 -5.623 15.128 1.00 0.00 C ATOM 1786 ND1 HIS A 106 93.071 -7.003 15.115 1.00 0.00 N ATOM 1787 CD2 HIS A 106 94.436 -5.300 15.087 1.00 0.00 C ATOM 1788 CE1 HIS A 106 94.299 -7.484 15.070 1.00 0.00 C ATOM 1789 NE2 HIS A 106 95.146 -6.474 15.050 1.00 0.00 N ATOM 0 H HIS A 106 89.746 -3.566 15.579 1.00 0.00 H new ATOM 0 HA HIS A 106 91.331 -5.352 17.155 1.00 0.00 H new ATOM 0 HB2 HIS A 106 91.092 -5.249 14.611 1.00 0.00 H new ATOM 0 HB3 HIS A 106 92.105 -3.819 14.644 1.00 0.00 H new ATOM 0 HD2 HIS A 106 94.850 -4.302 15.084 1.00 0.00 H new ATOM 0 HE1 HIS A 106 94.566 -8.530 15.052 1.00 0.00 H new ATOM 0 HE2 HIS A 106 96.162 -6.552 15.013 1.00 0.00 H new ATOM 1798 N HIS A 107 91.893 -2.294 17.655 1.00 0.00 N ATOM 1799 CA HIS A 107 92.705 -1.369 18.438 1.00 0.00 C ATOM 1800 C HIS A 107 92.432 -1.592 19.926 1.00 0.00 C ATOM 1801 O HIS A 107 93.194 -1.164 20.790 1.00 0.00 O ATOM 1802 CB HIS A 107 92.401 0.081 18.044 1.00 0.00 C ATOM 1803 CG HIS A 107 93.374 1.079 18.601 1.00 0.00 C ATOM 1804 ND1 HIS A 107 94.503 1.485 17.924 1.00 0.00 N ATOM 1805 CD2 HIS A 107 93.379 1.755 19.775 1.00 0.00 C ATOM 1806 CE1 HIS A 107 95.161 2.364 18.655 1.00 0.00 C ATOM 1807 NE2 HIS A 107 94.499 2.546 19.782 1.00 0.00 N ATOM 0 H HIS A 107 90.966 -1.945 17.412 1.00 0.00 H new ATOM 0 HA HIS A 107 93.759 -1.556 18.235 1.00 0.00 H new ATOM 0 HB2 HIS A 107 92.398 0.159 16.957 1.00 0.00 H new ATOM 0 HB3 HIS A 107 91.398 0.337 18.385 1.00 0.00 H new ATOM 0 HD2 HIS A 107 92.639 1.684 20.559 1.00 0.00 H new ATOM 0 HE1 HIS A 107 96.084 2.852 18.378 1.00 0.00 H new ATOM 0 HE2 HIS A 107 94.776 3.174 20.537 1.00 0.00 H new ATOM 1816 N HIS A 108 91.335 -2.280 20.198 1.00 0.00 N ATOM 1817 CA HIS A 108 90.918 -2.605 21.556 1.00 0.00 C ATOM 1818 C HIS A 108 90.964 -4.125 21.730 1.00 0.00 C ATOM 1819 O HIS A 108 90.606 -4.676 22.772 1.00 0.00 O ATOM 1820 CB HIS A 108 89.505 -2.046 21.779 1.00 0.00 C ATOM 1821 CG HIS A 108 88.935 -2.248 23.150 1.00 0.00 C ATOM 1822 ND1 HIS A 108 89.611 -1.951 24.314 1.00 0.00 N ATOM 1823 CD2 HIS A 108 87.721 -2.704 23.532 1.00 0.00 C ATOM 1824 CE1 HIS A 108 88.835 -2.214 25.348 1.00 0.00 C ATOM 1825 NE2 HIS A 108 87.683 -2.670 24.900 1.00 0.00 N ATOM 0 H HIS A 108 90.703 -2.632 19.479 1.00 0.00 H new ATOM 0 HA HIS A 108 91.582 -2.158 22.296 1.00 0.00 H new ATOM 0 HB2 HIS A 108 89.519 -0.977 21.565 1.00 0.00 H new ATOM 0 HB3 HIS A 108 88.833 -2.507 21.055 1.00 0.00 H new ATOM 0 HD2 HIS A 108 86.927 -3.034 22.878 1.00 0.00 H new ATOM 0 HE1 HIS A 108 89.099 -2.078 26.386 1.00 0.00 H new ATOM 0 HE2 HIS A 108 86.892 -2.952 25.478 1.00 0.00 H new ATOM 1834 N HIS A 109 91.448 -4.780 20.686 1.00 0.00 N ATOM 1835 CA HIS A 109 91.530 -6.230 20.617 1.00 0.00 C ATOM 1836 C HIS A 109 92.829 -6.593 19.905 1.00 0.00 C ATOM 1837 O HIS A 109 92.958 -6.364 18.705 1.00 0.00 O ATOM 1838 CB HIS A 109 90.321 -6.766 19.837 1.00 0.00 C ATOM 1839 CG HIS A 109 90.047 -8.232 19.991 1.00 0.00 C ATOM 1840 ND1 HIS A 109 88.794 -8.773 19.792 1.00 0.00 N ATOM 1841 CD2 HIS A 109 90.856 -9.272 20.304 1.00 0.00 C ATOM 1842 CE1 HIS A 109 88.845 -10.078 19.976 1.00 0.00 C ATOM 1843 NE2 HIS A 109 90.083 -10.407 20.287 1.00 0.00 N ATOM 0 H HIS A 109 91.800 -4.312 19.851 1.00 0.00 H new ATOM 0 HA HIS A 109 91.522 -6.671 21.614 1.00 0.00 H new ATOM 0 HB2 HIS A 109 89.435 -6.214 20.152 1.00 0.00 H new ATOM 0 HB3 HIS A 109 90.471 -6.552 18.779 1.00 0.00 H new ATOM 0 HD1 HIS A 109 87.958 -8.246 19.541 1.00 0.00 H new ATOM 0 HD2 HIS A 109 91.912 -9.219 20.526 1.00 0.00 H new ATOM 0 HE1 HIS A 109 88.013 -10.761 19.887 1.00 0.00 H new ATOM 1852 N HIS A 110 93.786 -7.141 20.649 1.00 0.00 N ATOM 1853 CA HIS A 110 95.141 -7.358 20.130 1.00 0.00 C ATOM 1854 C HIS A 110 95.130 -8.202 18.858 1.00 0.00 C ATOM 1855 O HIS A 110 95.772 -7.852 17.868 1.00 0.00 O ATOM 1856 CB HIS A 110 96.035 -8.015 21.185 1.00 0.00 C ATOM 1857 CG HIS A 110 96.250 -7.178 22.409 1.00 0.00 C ATOM 1858 ND1 HIS A 110 96.528 -7.718 23.645 1.00 0.00 N ATOM 1859 CD2 HIS A 110 96.243 -5.835 22.582 1.00 0.00 C ATOM 1860 CE1 HIS A 110 96.680 -6.747 24.526 1.00 0.00 C ATOM 1861 NE2 HIS A 110 96.512 -5.595 23.906 1.00 0.00 N ATOM 0 H HIS A 110 93.652 -7.444 21.614 1.00 0.00 H new ATOM 0 HA HIS A 110 95.549 -6.378 19.884 1.00 0.00 H new ATOM 0 HB2 HIS A 110 95.592 -8.966 21.481 1.00 0.00 H new ATOM 0 HB3 HIS A 110 97.003 -8.240 20.737 1.00 0.00 H new ATOM 0 HD2 HIS A 110 96.060 -5.092 21.820 1.00 0.00 H new ATOM 0 HE1 HIS A 110 96.904 -6.874 25.575 1.00 0.00 H new ATOM 0 HE2 HIS A 110 96.572 -4.674 24.341 1.00 0.00 H new ATOM 1870 N HIS A 111 94.413 -9.314 18.890 1.00 0.00 N ATOM 1871 CA HIS A 111 94.249 -10.156 17.711 1.00 0.00 C ATOM 1872 C HIS A 111 92.810 -10.633 17.615 1.00 0.00 C ATOM 1873 O HIS A 111 92.003 -9.967 16.939 1.00 0.00 O ATOM 1874 CB HIS A 111 95.194 -11.365 17.745 1.00 0.00 C ATOM 1875 CG HIS A 111 96.643 -11.022 17.573 1.00 0.00 C ATOM 1876 ND1 HIS A 111 97.619 -11.420 18.461 1.00 0.00 N ATOM 1877 CD2 HIS A 111 97.284 -10.331 16.599 1.00 0.00 C ATOM 1878 CE1 HIS A 111 98.794 -10.987 18.044 1.00 0.00 C ATOM 1879 NE2 HIS A 111 98.620 -10.324 16.918 1.00 0.00 N ATOM 1880 OXT HIS A 111 92.490 -11.662 18.246 1.00 0.00 O ATOM 0 H HIS A 111 93.933 -9.657 19.722 1.00 0.00 H new ATOM 0 HA HIS A 111 94.499 -9.558 16.835 1.00 0.00 H new ATOM 0 HB2 HIS A 111 95.066 -11.884 18.695 1.00 0.00 H new ATOM 0 HB3 HIS A 111 94.902 -12.061 16.959 1.00 0.00 H new ATOM 0 HD2 HIS A 111 96.829 -9.872 15.734 1.00 0.00 H new ATOM 0 HE1 HIS A 111 99.739 -11.149 18.541 1.00 0.00 H new ATOM 0 HE2 HIS A 111 99.358 -9.878 16.372 1.00 0.00 H new TER 1889 HIS A 111