USER MOD reduce.3.24.130724 H: found=0, std=0, add=1082, rem=0, adj=44 USER MOD reduce.3.24.130724 removed 1076 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 106 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 125 LYS NZ :NH3+ 148:sc= -0.167 (180deg=-2.36!) USER MOD Set 2.1: A 44 TYR OH : rot 152:sc= -1.33! USER MOD Set 2.2: A 119 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 71 THR OG1 : rot 131:sc= -1.79 USER MOD Set 3.2: A 73 HIS : no HD1:sc= -9.48! C(o=-39!,f=-41!) USER MOD Set 3.3: A 75 HIS : no HE2:sc= -27.4! C(o=-39!,f=-49!) USER MOD Set 4.1: A 57 SER OG : rot -80:sc= 1.97 USER MOD Set 4.2: A 59 HIS : no HD1:sc= -4.88! C(o=-2.9!,f=-8.8!) USER MOD Set 5.1: A 35 THR OG1 : rot -94:sc= -4.09! USER MOD Set 5.2: A 36 THR OG1 : rot 170:sc= 0.0128 USER MOD Set 5.3: A 39 LYS NZ :NH3+ -119:sc= 0.465! (180deg=-1.51!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= -0.0202 (180deg=-0.0202) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 LYS NZ :NH3+ 164:sc= 0 (180deg=-0.199) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot -102:sc= 0.0657 USER MOD Single : A 20 HIS :FLIP no HE2:sc= -3.35! C(o=-5.9!,f=-3.4!) USER MOD Single : A 24 SER OG : rot 180:sc=0.000912 USER MOD Single : A 25 ASN :FLIP amide:sc= 0.723 F(o=0,f=0.72) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 CYS SG : rot 150:sc= -13.2! USER MOD Single : A 34 TYR OH : rot 130:sc= -2.19! USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 MET CE :methyl 164:sc= -0.343 (180deg=-0.868) USER MOD Single : A 50 LYS NZ :NH3+ 149:sc= -0.723 (180deg=-1.52!) USER MOD Single : A 51 TYR OH : rot 180:sc= -0.0163 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0.00766 USER MOD Single : A 60 ASN : amide:sc= -12.6! C(o=-13!,f=-21!) USER MOD Single : A 61 SER OG : rot 53:sc= -0.331 USER MOD Single : A 62 TYR OH : rot 45:sc= -3.02! USER MOD Single : A 63 ASN : amide:sc= -3.21! C(o=-3.2!,f=-13!) USER MOD Single : A 64 HIS : no HD1:sc= -16.1! C(o=-16!,f=-17!) USER MOD Single : A 65 ASN :FLIP amide:sc= -1.47! F(o=-2.7,f=-1.5!) USER MOD Single : A 78 SER OG : rot -66:sc= -0.836 USER MOD Single : A 81 ASN :FLIP amide:sc= -0.323 F(o=-1.4,f=-0.32) USER MOD Single : A 82 ASN : amide:sc= -0.0547 X(o=-0.055,f=-0.22) USER MOD Single : A 83 TYR OH : rot -120:sc= -3.35! USER MOD Single : A 85 GLN : amide:sc= -0.221 X(o=-0.22,f=-0.22) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 CYS SG : rot -49:sc= -2.05! USER MOD Single : A 89 THR OG1 : rot 180:sc= 0.268 USER MOD Single : A 91 SER OG : rot 159:sc= 0.273 USER MOD Single : A 95 CYS SG : rot -140:sc= -5.12! USER MOD Single : A 96 LYS NZ :NH3+ 157:sc=-0.00787 (180deg=-0.603) USER MOD Single : A 99 ASN : amide:sc= -3.51 K(o=-3.5,f=-6.2!) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 TYR OH : rot 180:sc=-2.85e-05 USER MOD Single : A 104 MET CE :methyl 155:sc= -3.44! (180deg=-4.84!) USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 THR OG1 : rot -47:sc= 0.978 USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 127 HIS : no HD1:sc= -6.47! C(o=-6.5!,f=-14!) USER MOD Single : A 130 ASN : amide:sc= -0.106 X(o=-0.11,f=-0.12) USER MOD Single : A 133 SER OG : rot 180:sc= 0 USER MOD Single : A 134 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 112.920 -5.964 26.779 1.00 0.00 N ATOM 2 CA GLY A 1 113.520 -7.262 26.235 1.00 0.00 C ATOM 3 C GLY A 1 112.615 -8.312 25.687 1.00 0.00 C ATOM 4 O GLY A 1 113.054 -9.362 25.260 1.00 0.00 O ATOM 0 H1 GLY A 1 113.683 -5.345 27.120 1.00 0.00 H new ATOM 0 H2 GLY A 1 112.394 -5.481 26.023 1.00 0.00 H new ATOM 0 H3 GLY A 1 112.274 -6.182 27.565 1.00 0.00 H new ATOM 0 HA2 GLY A 1 114.223 -6.992 25.447 1.00 0.00 H new ATOM 0 HA3 GLY A 1 114.100 -7.716 27.038 1.00 0.00 H new ATOM 10 N SER A 2 111.334 -8.062 25.682 1.00 0.00 N ATOM 11 CA SER A 2 110.379 -9.072 25.146 1.00 0.00 C ATOM 12 C SER A 2 110.570 -9.203 23.634 1.00 0.00 C ATOM 13 O SER A 2 109.906 -8.548 22.855 1.00 0.00 O ATOM 14 CB SER A 2 108.946 -8.627 25.442 1.00 0.00 C ATOM 15 OG SER A 2 108.044 -9.643 25.023 1.00 0.00 O ATOM 0 H SER A 2 110.908 -7.202 26.026 1.00 0.00 H new ATOM 0 HA SER A 2 110.566 -10.035 25.621 1.00 0.00 H new ATOM 0 HB2 SER A 2 108.825 -8.434 26.508 1.00 0.00 H new ATOM 0 HB3 SER A 2 108.728 -7.694 24.923 1.00 0.00 H new ATOM 0 HG SER A 2 107.124 -9.362 25.212 1.00 0.00 H new ATOM 21 N LYS A 3 111.475 -10.043 23.213 1.00 0.00 N ATOM 22 CA LYS A 3 111.708 -10.215 21.752 1.00 0.00 C ATOM 23 C LYS A 3 112.119 -8.874 21.140 1.00 0.00 C ATOM 24 O LYS A 3 111.791 -7.822 21.653 1.00 0.00 O ATOM 25 CB LYS A 3 110.422 -10.707 21.083 1.00 0.00 C ATOM 26 CG LYS A 3 110.648 -12.106 20.509 1.00 0.00 C ATOM 27 CD LYS A 3 110.854 -13.102 21.652 1.00 0.00 C ATOM 28 CE LYS A 3 110.196 -14.435 21.295 1.00 0.00 C ATOM 29 NZ LYS A 3 110.783 -14.953 20.026 1.00 0.00 N ATOM 0 H LYS A 3 112.063 -10.617 23.817 1.00 0.00 H new ATOM 0 HA LYS A 3 112.501 -10.946 21.595 1.00 0.00 H new ATOM 0 HB2 LYS A 3 109.608 -10.727 21.807 1.00 0.00 H new ATOM 0 HB3 LYS A 3 110.127 -10.020 20.290 1.00 0.00 H new ATOM 0 HG2 LYS A 3 109.792 -12.404 19.903 1.00 0.00 H new ATOM 0 HG3 LYS A 3 111.518 -12.105 19.853 1.00 0.00 H new ATOM 0 HD2 LYS A 3 111.919 -13.248 21.834 1.00 0.00 H new ATOM 0 HD3 LYS A 3 110.425 -12.708 22.573 1.00 0.00 H new ATOM 0 HE2 LYS A 3 110.348 -15.155 22.099 1.00 0.00 H new ATOM 0 HE3 LYS A 3 109.120 -14.304 21.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 110.548 -15.961 19.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 110.394 -14.421 19.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 111.816 -14.839 20.050 1.00 0.00 H new ATOM 43 N VAL A 4 112.835 -8.904 20.049 1.00 0.00 N ATOM 44 CA VAL A 4 113.270 -7.634 19.404 1.00 0.00 C ATOM 45 C VAL A 4 112.109 -6.637 19.401 1.00 0.00 C ATOM 46 O VAL A 4 111.048 -6.908 18.876 1.00 0.00 O ATOM 47 CB VAL A 4 113.703 -7.917 17.963 1.00 0.00 C ATOM 48 CG1 VAL A 4 112.605 -8.703 17.244 1.00 0.00 C ATOM 49 CG2 VAL A 4 113.939 -6.591 17.234 1.00 0.00 C ATOM 0 H VAL A 4 113.138 -9.756 19.576 1.00 0.00 H new ATOM 0 HA VAL A 4 114.107 -7.213 19.960 1.00 0.00 H new ATOM 0 HB VAL A 4 114.623 -8.501 17.968 1.00 0.00 H new ATOM 0 HG11 VAL A 4 112.914 -8.904 16.218 1.00 0.00 H new ATOM 0 HG12 VAL A 4 112.433 -9.646 17.763 1.00 0.00 H new ATOM 0 HG13 VAL A 4 111.684 -8.120 17.238 1.00 0.00 H new ATOM 0 HG21 VAL A 4 114.247 -6.790 16.208 1.00 0.00 H new ATOM 0 HG22 VAL A 4 113.017 -6.009 17.230 1.00 0.00 H new ATOM 0 HG23 VAL A 4 114.720 -6.029 17.745 1.00 0.00 H new ATOM 59 N GLU A 5 112.302 -5.485 19.983 1.00 0.00 N ATOM 60 CA GLU A 5 111.208 -4.473 20.012 1.00 0.00 C ATOM 61 C GLU A 5 110.553 -4.395 18.632 1.00 0.00 C ATOM 62 O GLU A 5 111.216 -4.206 17.630 1.00 0.00 O ATOM 63 CB GLU A 5 111.786 -3.106 20.382 1.00 0.00 C ATOM 64 CG GLU A 5 110.953 -2.488 21.508 1.00 0.00 C ATOM 65 CD GLU A 5 110.360 -1.160 21.034 1.00 0.00 C ATOM 66 OE1 GLU A 5 110.920 -0.575 20.121 1.00 0.00 O ATOM 67 OE2 GLU A 5 109.355 -0.751 21.590 1.00 0.00 O ATOM 0 H GLU A 5 113.169 -5.201 20.439 1.00 0.00 H new ATOM 0 HA GLU A 5 110.463 -4.763 20.753 1.00 0.00 H new ATOM 0 HB2 GLU A 5 112.824 -3.212 20.699 1.00 0.00 H new ATOM 0 HB3 GLU A 5 111.783 -2.450 19.511 1.00 0.00 H new ATOM 0 HG2 GLU A 5 110.155 -3.171 21.801 1.00 0.00 H new ATOM 0 HG3 GLU A 5 111.575 -2.327 22.389 1.00 0.00 H new ATOM 74 N ASP A 6 109.259 -4.539 18.567 1.00 0.00 N ATOM 75 CA ASP A 6 108.569 -4.473 17.249 1.00 0.00 C ATOM 76 C ASP A 6 108.438 -3.007 16.815 1.00 0.00 C ATOM 77 O ASP A 6 108.147 -2.150 17.625 1.00 0.00 O ATOM 78 CB ASP A 6 107.176 -5.094 17.372 1.00 0.00 C ATOM 79 CG ASP A 6 106.488 -5.075 16.005 1.00 0.00 C ATOM 80 OD1 ASP A 6 106.133 -3.996 15.558 1.00 0.00 O ATOM 81 OD2 ASP A 6 106.326 -6.138 15.431 1.00 0.00 O ATOM 0 H ASP A 6 108.650 -4.699 19.369 1.00 0.00 H new ATOM 0 HA ASP A 6 109.148 -5.022 16.507 1.00 0.00 H new ATOM 0 HB2 ASP A 6 107.253 -6.118 17.738 1.00 0.00 H new ATOM 0 HB3 ASP A 6 106.582 -4.540 18.098 1.00 0.00 H new ATOM 86 N PRO A 7 108.657 -2.764 15.546 1.00 0.00 N ATOM 87 CA PRO A 7 108.573 -1.409 14.974 1.00 0.00 C ATOM 88 C PRO A 7 107.110 -1.013 14.743 1.00 0.00 C ATOM 89 O PRO A 7 106.380 -1.683 14.039 1.00 0.00 O ATOM 90 CB PRO A 7 109.318 -1.535 13.643 1.00 0.00 C ATOM 91 CG PRO A 7 109.287 -3.036 13.266 1.00 0.00 C ATOM 92 CD PRO A 7 109.012 -3.812 14.567 1.00 0.00 C ATOM 0 HA PRO A 7 108.996 -0.643 15.625 1.00 0.00 H new ATOM 0 HB2 PRO A 7 108.840 -0.931 12.872 1.00 0.00 H new ATOM 0 HB3 PRO A 7 110.344 -1.179 13.737 1.00 0.00 H new ATOM 0 HG2 PRO A 7 108.511 -3.233 12.526 1.00 0.00 H new ATOM 0 HG3 PRO A 7 110.235 -3.344 12.824 1.00 0.00 H new ATOM 0 HD2 PRO A 7 108.201 -4.529 14.439 1.00 0.00 H new ATOM 0 HD3 PRO A 7 109.888 -4.376 14.887 1.00 0.00 H new ATOM 100 N LYS A 8 106.679 0.072 15.325 1.00 0.00 N ATOM 101 CA LYS A 8 105.268 0.511 15.132 1.00 0.00 C ATOM 102 C LYS A 8 105.160 1.311 13.833 1.00 0.00 C ATOM 103 O LYS A 8 104.079 1.612 13.366 1.00 0.00 O ATOM 104 CB LYS A 8 104.839 1.387 16.311 1.00 0.00 C ATOM 105 CG LYS A 8 105.953 2.383 16.642 1.00 0.00 C ATOM 106 CD LYS A 8 105.375 3.544 17.455 1.00 0.00 C ATOM 107 CE LYS A 8 106.027 3.573 18.838 1.00 0.00 C ATOM 108 NZ LYS A 8 105.339 2.602 19.734 1.00 0.00 N ATOM 0 H LYS A 8 107.243 0.674 15.926 1.00 0.00 H new ATOM 0 HA LYS A 8 104.618 -0.362 15.077 1.00 0.00 H new ATOM 0 HB2 LYS A 8 103.921 1.921 16.065 1.00 0.00 H new ATOM 0 HB3 LYS A 8 104.623 0.765 17.180 1.00 0.00 H new ATOM 0 HG2 LYS A 8 106.743 1.887 17.207 1.00 0.00 H new ATOM 0 HG3 LYS A 8 106.405 2.758 15.724 1.00 0.00 H new ATOM 0 HD2 LYS A 8 105.552 4.487 16.938 1.00 0.00 H new ATOM 0 HD3 LYS A 8 104.295 3.431 17.553 1.00 0.00 H new ATOM 0 HE2 LYS A 8 107.085 3.323 18.758 1.00 0.00 H new ATOM 0 HE3 LYS A 8 105.967 4.577 19.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 105.783 2.622 20.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 104.335 2.860 19.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 105.418 1.645 19.335 1.00 0.00 H new ATOM 122 N ASP A 9 106.272 1.660 13.247 1.00 0.00 N ATOM 123 CA ASP A 9 106.236 2.442 11.978 1.00 0.00 C ATOM 124 C ASP A 9 107.647 2.526 11.394 1.00 0.00 C ATOM 125 O ASP A 9 108.560 1.869 11.854 1.00 0.00 O ATOM 126 CB ASP A 9 105.718 3.853 12.264 1.00 0.00 C ATOM 127 CG ASP A 9 105.045 4.416 11.011 1.00 0.00 C ATOM 128 OD1 ASP A 9 104.612 3.625 10.189 1.00 0.00 O ATOM 129 OD2 ASP A 9 104.975 5.628 10.895 1.00 0.00 O ATOM 0 H ASP A 9 107.206 1.437 13.592 1.00 0.00 H new ATOM 0 HA ASP A 9 105.575 1.950 11.265 1.00 0.00 H new ATOM 0 HB2 ASP A 9 105.008 3.830 13.091 1.00 0.00 H new ATOM 0 HB3 ASP A 9 106.542 4.499 12.568 1.00 0.00 H new ATOM 134 N PHE A 10 107.838 3.333 10.385 1.00 0.00 N ATOM 135 CA PHE A 10 109.193 3.456 9.781 1.00 0.00 C ATOM 136 C PHE A 10 110.164 4.008 10.829 1.00 0.00 C ATOM 137 O PHE A 10 109.764 4.731 11.720 1.00 0.00 O ATOM 138 CB PHE A 10 109.137 4.411 8.585 1.00 0.00 C ATOM 139 CG PHE A 10 108.634 3.667 7.370 1.00 0.00 C ATOM 140 CD1 PHE A 10 107.371 3.066 7.392 1.00 0.00 C ATOM 141 CD2 PHE A 10 109.431 3.580 6.221 1.00 0.00 C ATOM 142 CE1 PHE A 10 106.903 2.376 6.267 1.00 0.00 C ATOM 143 CE2 PHE A 10 108.964 2.890 5.096 1.00 0.00 C ATOM 144 CZ PHE A 10 107.700 2.288 5.119 1.00 0.00 C ATOM 0 H PHE A 10 107.115 3.910 9.955 1.00 0.00 H new ATOM 0 HA PHE A 10 109.533 2.476 9.445 1.00 0.00 H new ATOM 0 HB2 PHE A 10 108.480 5.252 8.808 1.00 0.00 H new ATOM 0 HB3 PHE A 10 110.127 4.823 8.388 1.00 0.00 H new ATOM 0 HD1 PHE A 10 106.756 3.134 8.277 1.00 0.00 H new ATOM 0 HD2 PHE A 10 110.406 4.045 6.203 1.00 0.00 H new ATOM 0 HE1 PHE A 10 105.928 1.912 6.285 1.00 0.00 H new ATOM 0 HE2 PHE A 10 109.579 2.822 4.211 1.00 0.00 H new ATOM 0 HZ PHE A 10 107.340 1.756 4.251 1.00 0.00 H new ATOM 154 N PRO A 11 111.412 3.645 10.691 1.00 0.00 N ATOM 155 CA PRO A 11 112.471 4.085 11.615 1.00 0.00 C ATOM 156 C PRO A 11 112.883 5.527 11.306 1.00 0.00 C ATOM 157 O PRO A 11 112.816 5.974 10.180 1.00 0.00 O ATOM 158 CB PRO A 11 113.618 3.112 11.334 1.00 0.00 C ATOM 159 CG PRO A 11 113.377 2.550 9.913 1.00 0.00 C ATOM 160 CD PRO A 11 111.884 2.767 9.602 1.00 0.00 C ATOM 0 HA PRO A 11 112.162 4.078 12.660 1.00 0.00 H new ATOM 0 HB2 PRO A 11 114.581 3.620 11.393 1.00 0.00 H new ATOM 0 HB3 PRO A 11 113.636 2.309 12.071 1.00 0.00 H new ATOM 0 HG2 PRO A 11 114.003 3.062 9.182 1.00 0.00 H new ATOM 0 HG3 PRO A 11 113.633 1.491 9.866 1.00 0.00 H new ATOM 0 HD2 PRO A 11 111.744 3.232 8.626 1.00 0.00 H new ATOM 0 HD3 PRO A 11 111.339 1.823 9.587 1.00 0.00 H new ATOM 168 N SER A 12 113.304 6.258 12.301 1.00 0.00 N ATOM 169 CA SER A 12 113.716 7.671 12.068 1.00 0.00 C ATOM 170 C SER A 12 114.792 7.723 10.980 1.00 0.00 C ATOM 171 O SER A 12 114.961 8.721 10.308 1.00 0.00 O ATOM 172 CB SER A 12 114.276 8.256 13.365 1.00 0.00 C ATOM 173 OG SER A 12 115.287 7.393 13.872 1.00 0.00 O ATOM 0 H SER A 12 113.381 5.938 13.266 1.00 0.00 H new ATOM 0 HA SER A 12 112.851 8.251 11.747 1.00 0.00 H new ATOM 0 HB2 SER A 12 114.687 9.249 13.182 1.00 0.00 H new ATOM 0 HB3 SER A 12 113.479 8.372 14.099 1.00 0.00 H new ATOM 0 HG SER A 12 115.649 7.766 14.703 1.00 0.00 H new ATOM 179 N GLU A 13 115.524 6.658 10.805 1.00 0.00 N ATOM 180 CA GLU A 13 116.593 6.645 9.770 1.00 0.00 C ATOM 181 C GLU A 13 116.012 7.022 8.405 1.00 0.00 C ATOM 182 O GLU A 13 116.641 7.704 7.622 1.00 0.00 O ATOM 183 CB GLU A 13 117.193 5.241 9.694 1.00 0.00 C ATOM 184 CG GLU A 13 118.105 5.003 10.899 1.00 0.00 C ATOM 185 CD GLU A 13 119.120 6.143 11.005 1.00 0.00 C ATOM 186 OE1 GLU A 13 118.812 7.124 11.660 1.00 0.00 O ATOM 187 OE2 GLU A 13 120.188 6.014 10.428 1.00 0.00 O ATOM 0 H GLU A 13 115.427 5.793 11.337 1.00 0.00 H new ATOM 0 HA GLU A 13 117.363 7.369 10.038 1.00 0.00 H new ATOM 0 HB2 GLU A 13 116.398 4.496 9.675 1.00 0.00 H new ATOM 0 HB3 GLU A 13 117.759 5.127 8.769 1.00 0.00 H new ATOM 0 HG2 GLU A 13 117.512 4.944 11.811 1.00 0.00 H new ATOM 0 HG3 GLU A 13 118.623 4.050 10.794 1.00 0.00 H new ATOM 194 N LEU A 14 114.824 6.574 8.106 1.00 0.00 N ATOM 195 CA LEU A 14 114.221 6.899 6.783 1.00 0.00 C ATOM 196 C LEU A 14 113.012 7.823 6.960 1.00 0.00 C ATOM 197 O LEU A 14 112.345 8.169 6.005 1.00 0.00 O ATOM 198 CB LEU A 14 113.775 5.603 6.103 1.00 0.00 C ATOM 199 CG LEU A 14 115.007 4.780 5.727 1.00 0.00 C ATOM 200 CD1 LEU A 14 115.004 3.467 6.512 1.00 0.00 C ATOM 201 CD2 LEU A 14 114.977 4.479 4.228 1.00 0.00 C ATOM 0 H LEU A 14 114.246 5.999 8.719 1.00 0.00 H new ATOM 0 HA LEU A 14 114.964 7.407 6.168 1.00 0.00 H new ATOM 0 HB2 LEU A 14 113.131 5.031 6.771 1.00 0.00 H new ATOM 0 HB3 LEU A 14 113.189 5.829 5.212 1.00 0.00 H new ATOM 0 HG LEU A 14 115.909 5.343 5.968 1.00 0.00 H new ATOM 0 HD11 LEU A 14 115.883 2.881 6.243 1.00 0.00 H new ATOM 0 HD12 LEU A 14 115.024 3.682 7.580 1.00 0.00 H new ATOM 0 HD13 LEU A 14 114.103 2.902 6.272 1.00 0.00 H new ATOM 0 HD21 LEU A 14 115.855 3.892 3.957 1.00 0.00 H new ATOM 0 HD22 LEU A 14 114.075 3.915 3.988 1.00 0.00 H new ATOM 0 HD23 LEU A 14 114.980 5.415 3.669 1.00 0.00 H new ATOM 213 N LEU A 15 112.722 8.231 8.165 1.00 0.00 N ATOM 214 CA LEU A 15 111.554 9.134 8.374 1.00 0.00 C ATOM 215 C LEU A 15 111.915 10.550 7.914 1.00 0.00 C ATOM 216 O LEU A 15 111.104 11.453 7.966 1.00 0.00 O ATOM 217 CB LEU A 15 111.181 9.161 9.857 1.00 0.00 C ATOM 218 CG LEU A 15 110.489 7.849 10.234 1.00 0.00 C ATOM 219 CD1 LEU A 15 110.442 7.715 11.757 1.00 0.00 C ATOM 220 CD2 LEU A 15 109.062 7.848 9.679 1.00 0.00 C ATOM 0 H LEU A 15 113.238 7.981 9.008 1.00 0.00 H new ATOM 0 HA LEU A 15 110.707 8.766 7.795 1.00 0.00 H new ATOM 0 HB2 LEU A 15 112.075 9.301 10.465 1.00 0.00 H new ATOM 0 HB3 LEU A 15 110.521 10.004 10.062 1.00 0.00 H new ATOM 0 HG LEU A 15 111.045 7.012 9.813 1.00 0.00 H new ATOM 0 HD11 LEU A 15 109.949 6.780 12.025 1.00 0.00 H new ATOM 0 HD12 LEU A 15 111.457 7.717 12.154 1.00 0.00 H new ATOM 0 HD13 LEU A 15 109.886 8.552 12.179 1.00 0.00 H new ATOM 0 HD21 LEU A 15 108.568 6.914 9.947 1.00 0.00 H new ATOM 0 HD22 LEU A 15 108.507 8.686 10.101 1.00 0.00 H new ATOM 0 HD23 LEU A 15 109.094 7.943 8.594 1.00 0.00 H new ATOM 232 N SER A 16 113.123 10.749 7.462 1.00 0.00 N ATOM 233 CA SER A 16 113.529 12.106 7.000 1.00 0.00 C ATOM 234 C SER A 16 112.806 12.435 5.692 1.00 0.00 C ATOM 235 O SER A 16 112.774 13.568 5.258 1.00 0.00 O ATOM 236 CB SER A 16 115.040 12.134 6.770 1.00 0.00 C ATOM 237 OG SER A 16 115.515 13.463 6.943 1.00 0.00 O ATOM 0 H SER A 16 113.845 10.032 7.393 1.00 0.00 H new ATOM 0 HA SER A 16 113.264 12.844 7.757 1.00 0.00 H new ATOM 0 HB2 SER A 16 115.539 11.463 7.469 1.00 0.00 H new ATOM 0 HB3 SER A 16 115.274 11.779 5.766 1.00 0.00 H new ATOM 0 HG SER A 16 116.484 13.486 6.798 1.00 0.00 H new ATOM 243 N PHE A 17 112.224 11.451 5.061 1.00 0.00 N ATOM 244 CA PHE A 17 111.503 11.711 3.783 1.00 0.00 C ATOM 245 C PHE A 17 110.427 10.643 3.569 1.00 0.00 C ATOM 246 O PHE A 17 110.617 9.691 2.837 1.00 0.00 O ATOM 247 CB PHE A 17 112.491 11.682 2.613 1.00 0.00 C ATOM 248 CG PHE A 17 113.570 10.651 2.860 1.00 0.00 C ATOM 249 CD1 PHE A 17 113.295 9.497 3.605 1.00 0.00 C ATOM 250 CD2 PHE A 17 114.850 10.850 2.332 1.00 0.00 C ATOM 251 CE1 PHE A 17 114.300 8.548 3.820 1.00 0.00 C ATOM 252 CE2 PHE A 17 115.856 9.901 2.545 1.00 0.00 C ATOM 253 CZ PHE A 17 115.580 8.749 3.290 1.00 0.00 C ATOM 0 H PHE A 17 112.217 10.481 5.375 1.00 0.00 H new ATOM 0 HA PHE A 17 111.033 12.693 3.834 1.00 0.00 H new ATOM 0 HB2 PHE A 17 111.963 11.450 1.688 1.00 0.00 H new ATOM 0 HB3 PHE A 17 112.942 12.666 2.485 1.00 0.00 H new ATOM 0 HD1 PHE A 17 112.308 9.340 4.013 1.00 0.00 H new ATOM 0 HD2 PHE A 17 115.063 11.740 1.758 1.00 0.00 H new ATOM 0 HE1 PHE A 17 114.088 7.659 4.396 1.00 0.00 H new ATOM 0 HE2 PHE A 17 116.843 10.057 2.135 1.00 0.00 H new ATOM 0 HZ PHE A 17 116.355 8.015 3.456 1.00 0.00 H new ATOM 263 N LEU A 18 109.295 10.796 4.198 1.00 0.00 N ATOM 264 CA LEU A 18 108.206 9.793 4.028 1.00 0.00 C ATOM 265 C LEU A 18 106.883 10.519 3.778 1.00 0.00 C ATOM 266 O LEU A 18 106.854 11.708 3.531 1.00 0.00 O ATOM 267 CB LEU A 18 108.091 8.945 5.296 1.00 0.00 C ATOM 268 CG LEU A 18 108.506 7.506 4.987 1.00 0.00 C ATOM 269 CD1 LEU A 18 108.736 6.750 6.296 1.00 0.00 C ATOM 270 CD2 LEU A 18 107.396 6.818 4.191 1.00 0.00 C ATOM 0 H LEU A 18 109.077 11.572 4.823 1.00 0.00 H new ATOM 0 HA LEU A 18 108.434 9.147 3.180 1.00 0.00 H new ATOM 0 HB2 LEU A 18 108.726 9.357 6.081 1.00 0.00 H new ATOM 0 HB3 LEU A 18 107.067 8.967 5.669 1.00 0.00 H new ATOM 0 HG LEU A 18 109.426 7.510 4.403 1.00 0.00 H new ATOM 0 HD11 LEU A 18 109.032 5.724 6.077 1.00 0.00 H new ATOM 0 HD12 LEU A 18 109.525 7.241 6.866 1.00 0.00 H new ATOM 0 HD13 LEU A 18 107.816 6.745 6.880 1.00 0.00 H new ATOM 0 HD21 LEU A 18 107.690 5.792 3.969 1.00 0.00 H new ATOM 0 HD22 LEU A 18 106.477 6.814 4.777 1.00 0.00 H new ATOM 0 HD23 LEU A 18 107.229 7.357 3.258 1.00 0.00 H new ATOM 282 N SER A 19 105.788 9.813 3.839 1.00 0.00 N ATOM 283 CA SER A 19 104.469 10.463 3.604 1.00 0.00 C ATOM 284 C SER A 19 103.795 10.746 4.948 1.00 0.00 C ATOM 285 O SER A 19 103.529 11.881 5.289 1.00 0.00 O ATOM 286 CB SER A 19 103.583 9.535 2.774 1.00 0.00 C ATOM 287 OG SER A 19 103.550 8.250 3.381 1.00 0.00 O ATOM 0 H SER A 19 105.750 8.814 4.041 1.00 0.00 H new ATOM 0 HA SER A 19 104.616 11.400 3.066 1.00 0.00 H new ATOM 0 HB2 SER A 19 102.575 9.943 2.704 1.00 0.00 H new ATOM 0 HB3 SER A 19 103.968 9.460 1.757 1.00 0.00 H new ATOM 0 HG SER A 19 104.145 7.643 2.894 1.00 0.00 H new ATOM 293 N HIS A 20 103.518 9.716 5.710 1.00 0.00 N ATOM 294 CA HIS A 20 102.860 9.904 7.037 1.00 0.00 C ATOM 295 C HIS A 20 101.345 10.029 6.853 1.00 0.00 C ATOM 296 O HIS A 20 100.572 9.441 7.585 1.00 0.00 O ATOM 297 CB HIS A 20 103.401 11.165 7.716 1.00 0.00 C ATOM 298 CG HIS A 20 104.887 11.254 7.496 1.00 0.00 C ATOM 299 ND1 HIS A 20 105.666 12.190 6.864 1.00 0.00 N flip ATOM 300 CD2 HIS A 20 105.762 10.283 7.961 1.00 0.00 C flip ATOM 301 CE1 HIS A 20 107.004 11.811 6.934 1.00 0.00 C flip ATOM 302 NE2 HIS A 20 107.005 10.656 7.604 1.00 0.00 N flip ATOM 0 H HIS A 20 103.722 8.747 5.466 1.00 0.00 H new ATOM 0 HA HIS A 20 103.077 9.039 7.664 1.00 0.00 H new ATOM 0 HB2 HIS A 20 102.909 12.049 7.311 1.00 0.00 H new ATOM 0 HB3 HIS A 20 103.181 11.139 8.783 1.00 0.00 H new ATOM 0 HD1 HIS A 20 105.318 13.035 6.412 1.00 0.00 H new ATOM 0 HD2 HIS A 20 105.495 9.391 8.509 1.00 0.00 H new ATOM 0 HE1 HIS A 20 107.857 12.338 6.533 1.00 0.00 H new ATOM 310 N ALA A 21 100.909 10.785 5.882 1.00 0.00 N ATOM 311 CA ALA A 21 99.443 10.938 5.659 1.00 0.00 C ATOM 312 C ALA A 21 98.872 9.623 5.125 1.00 0.00 C ATOM 313 O ALA A 21 99.371 9.061 4.171 1.00 0.00 O ATOM 314 CB ALA A 21 99.195 12.053 4.641 1.00 0.00 C ATOM 0 H ALA A 21 101.504 11.302 5.235 1.00 0.00 H new ATOM 0 HA ALA A 21 98.955 11.192 6.600 1.00 0.00 H new ATOM 0 HB1 ALA A 21 98.123 12.165 4.478 1.00 0.00 H new ATOM 0 HB2 ALA A 21 99.604 12.989 5.020 1.00 0.00 H new ATOM 0 HB3 ALA A 21 99.681 11.800 3.699 1.00 0.00 H new ATOM 320 N VAL A 22 97.829 9.128 5.733 1.00 0.00 N ATOM 321 CA VAL A 22 97.230 7.849 5.259 1.00 0.00 C ATOM 322 C VAL A 22 95.910 8.137 4.543 1.00 0.00 C ATOM 323 O VAL A 22 95.661 7.653 3.457 1.00 0.00 O ATOM 324 CB VAL A 22 96.971 6.930 6.454 1.00 0.00 C ATOM 325 CG1 VAL A 22 96.676 5.513 5.956 1.00 0.00 C ATOM 326 CG2 VAL A 22 98.208 6.905 7.354 1.00 0.00 C ATOM 0 H VAL A 22 97.366 9.553 6.536 1.00 0.00 H new ATOM 0 HA VAL A 22 97.919 7.362 4.569 1.00 0.00 H new ATOM 0 HB VAL A 22 96.116 7.302 7.019 1.00 0.00 H new ATOM 0 HG11 VAL A 22 96.492 4.859 6.808 1.00 0.00 H new ATOM 0 HG12 VAL A 22 95.796 5.529 5.314 1.00 0.00 H new ATOM 0 HG13 VAL A 22 97.531 5.141 5.391 1.00 0.00 H new ATOM 0 HG21 VAL A 22 98.025 6.250 8.206 1.00 0.00 H new ATOM 0 HG22 VAL A 22 99.062 6.533 6.788 1.00 0.00 H new ATOM 0 HG23 VAL A 22 98.419 7.913 7.710 1.00 0.00 H new ATOM 336 N PHE A 23 95.064 8.922 5.145 1.00 0.00 N ATOM 337 CA PHE A 23 93.758 9.243 4.503 1.00 0.00 C ATOM 338 C PHE A 23 93.844 10.615 3.829 1.00 0.00 C ATOM 339 O PHE A 23 92.851 11.290 3.646 1.00 0.00 O ATOM 340 CB PHE A 23 92.658 9.262 5.567 1.00 0.00 C ATOM 341 CG PHE A 23 92.104 7.869 5.743 1.00 0.00 C ATOM 342 CD1 PHE A 23 92.973 6.771 5.794 1.00 0.00 C ATOM 343 CD2 PHE A 23 90.723 7.673 5.857 1.00 0.00 C ATOM 344 CE1 PHE A 23 92.459 5.480 5.956 1.00 0.00 C ATOM 345 CE2 PHE A 23 90.209 6.381 6.019 1.00 0.00 C ATOM 346 CZ PHE A 23 91.078 5.284 6.070 1.00 0.00 C ATOM 0 H PHE A 23 95.219 9.356 6.055 1.00 0.00 H new ATOM 0 HA PHE A 23 93.525 8.486 3.754 1.00 0.00 H new ATOM 0 HB2 PHE A 23 93.058 9.628 6.513 1.00 0.00 H new ATOM 0 HB3 PHE A 23 91.863 9.946 5.271 1.00 0.00 H new ATOM 0 HD1 PHE A 23 94.039 6.921 5.708 1.00 0.00 H new ATOM 0 HD2 PHE A 23 90.053 8.519 5.820 1.00 0.00 H new ATOM 0 HE1 PHE A 23 93.129 4.634 5.993 1.00 0.00 H new ATOM 0 HE2 PHE A 23 89.143 6.230 6.105 1.00 0.00 H new ATOM 0 HZ PHE A 23 90.683 4.287 6.197 1.00 0.00 H new ATOM 356 N SER A 24 95.024 11.030 3.458 1.00 0.00 N ATOM 357 CA SER A 24 95.172 12.357 2.795 1.00 0.00 C ATOM 358 C SER A 24 94.438 12.339 1.452 1.00 0.00 C ATOM 359 O SER A 24 93.979 11.309 1.000 1.00 0.00 O ATOM 360 CB SER A 24 96.656 12.648 2.563 1.00 0.00 C ATOM 361 OG SER A 24 97.258 11.533 1.920 1.00 0.00 O ATOM 0 H SER A 24 95.891 10.508 3.585 1.00 0.00 H new ATOM 0 HA SER A 24 94.746 13.132 3.432 1.00 0.00 H new ATOM 0 HB2 SER A 24 96.772 13.542 1.950 1.00 0.00 H new ATOM 0 HB3 SER A 24 97.152 12.846 3.513 1.00 0.00 H new ATOM 0 HG SER A 24 98.209 11.717 1.768 1.00 0.00 H new ATOM 367 N ASN A 25 94.322 13.469 0.811 1.00 0.00 N ATOM 368 CA ASN A 25 93.616 13.513 -0.501 1.00 0.00 C ATOM 369 C ASN A 25 94.637 13.669 -1.628 1.00 0.00 C ATOM 370 O ASN A 25 94.312 14.095 -2.719 1.00 0.00 O ATOM 371 CB ASN A 25 92.651 14.700 -0.519 1.00 0.00 C ATOM 372 CG ASN A 25 91.400 14.330 -1.318 1.00 0.00 C ATOM 373 OD1 ASN A 25 90.235 14.349 -0.729 1.00 0.00 O flip ATOM 374 ND2 ASN A 25 91.483 14.019 -2.490 1.00 0.00 N flip ATOM 0 H ASN A 25 94.685 14.364 1.139 1.00 0.00 H new ATOM 0 HA ASN A 25 93.059 12.587 -0.644 1.00 0.00 H new ATOM 0 HB2 ASN A 25 92.377 14.974 0.500 1.00 0.00 H new ATOM 0 HB3 ASN A 25 93.135 15.569 -0.964 1.00 0.00 H new ATOM 0 HD21 ASN A 25 92.393 14.004 -2.950 1.00 0.00 H new ATOM 0 HD22 ASN A 25 90.643 13.773 -3.013 1.00 0.00 H new ATOM 381 N ARG A 26 95.872 13.329 -1.377 1.00 0.00 N ATOM 382 CA ARG A 26 96.910 13.460 -2.438 1.00 0.00 C ATOM 383 C ARG A 26 97.081 12.117 -3.152 1.00 0.00 C ATOM 384 O ARG A 26 96.741 11.075 -2.624 1.00 0.00 O ATOM 385 CB ARG A 26 98.239 13.874 -1.802 1.00 0.00 C ATOM 386 CG ARG A 26 98.518 15.345 -2.117 1.00 0.00 C ATOM 387 CD ARG A 26 99.673 15.845 -1.249 1.00 0.00 C ATOM 388 NE ARG A 26 99.887 17.299 -1.496 1.00 0.00 N ATOM 389 CZ ARG A 26 100.495 18.031 -0.603 1.00 0.00 C ATOM 390 NH1 ARG A 26 100.083 18.026 0.636 1.00 0.00 N ATOM 391 NH2 ARG A 26 101.516 18.766 -0.949 1.00 0.00 N ATOM 0 H ARG A 26 96.206 12.967 -0.484 1.00 0.00 H new ATOM 0 HA ARG A 26 96.601 14.217 -3.159 1.00 0.00 H new ATOM 0 HB2 ARG A 26 98.201 13.723 -0.723 1.00 0.00 H new ATOM 0 HB3 ARG A 26 99.047 13.250 -2.183 1.00 0.00 H new ATOM 0 HG2 ARG A 26 98.766 15.461 -3.172 1.00 0.00 H new ATOM 0 HG3 ARG A 26 97.625 15.943 -1.932 1.00 0.00 H new ATOM 0 HD2 ARG A 26 99.451 15.673 -0.196 1.00 0.00 H new ATOM 0 HD3 ARG A 26 100.582 15.289 -1.479 1.00 0.00 H new ATOM 0 HE ARG A 26 99.558 17.722 -2.364 1.00 0.00 H new ATOM 0 HH11 ARG A 26 99.286 17.450 0.906 1.00 0.00 H new ATOM 0 HH12 ARG A 26 100.558 18.598 1.334 1.00 0.00 H new ATOM 0 HH21 ARG A 26 101.838 18.768 -1.917 1.00 0.00 H new ATOM 0 HH22 ARG A 26 101.992 19.339 -0.252 1.00 0.00 H new ATOM 405 N THR A 27 97.600 12.131 -4.349 1.00 0.00 N ATOM 406 CA THR A 27 97.786 10.854 -5.094 1.00 0.00 C ATOM 407 C THR A 27 99.246 10.726 -5.536 1.00 0.00 C ATOM 408 O THR A 27 99.878 11.693 -5.913 1.00 0.00 O ATOM 409 CB THR A 27 96.878 10.845 -6.326 1.00 0.00 C ATOM 410 OG1 THR A 27 97.171 11.974 -7.138 1.00 0.00 O ATOM 411 CG2 THR A 27 95.414 10.899 -5.883 1.00 0.00 C ATOM 0 H THR A 27 97.903 12.970 -4.843 1.00 0.00 H new ATOM 0 HA THR A 27 97.529 10.016 -4.446 1.00 0.00 H new ATOM 0 HB THR A 27 97.050 9.933 -6.897 1.00 0.00 H new ATOM 0 HG1 THR A 27 96.591 11.968 -7.928 1.00 0.00 H new ATOM 0 HG21 THR A 27 94.768 10.893 -6.761 1.00 0.00 H new ATOM 0 HG22 THR A 27 95.190 10.032 -5.261 1.00 0.00 H new ATOM 0 HG23 THR A 27 95.240 11.811 -5.311 1.00 0.00 H new ATOM 419 N LEU A 28 99.785 9.537 -5.493 1.00 0.00 N ATOM 420 CA LEU A 28 101.203 9.344 -5.910 1.00 0.00 C ATOM 421 C LEU A 28 101.416 7.885 -6.327 1.00 0.00 C ATOM 422 O LEU A 28 100.862 6.978 -5.742 1.00 0.00 O ATOM 423 CB LEU A 28 102.130 9.681 -4.740 1.00 0.00 C ATOM 424 CG LEU A 28 101.640 8.969 -3.478 1.00 0.00 C ATOM 425 CD1 LEU A 28 102.804 8.812 -2.497 1.00 0.00 C ATOM 426 CD2 LEU A 28 100.533 9.798 -2.825 1.00 0.00 C ATOM 0 H LEU A 28 99.304 8.691 -5.187 1.00 0.00 H new ATOM 0 HA LEU A 28 101.428 10.000 -6.751 1.00 0.00 H new ATOM 0 HB2 LEU A 28 103.150 9.374 -4.971 1.00 0.00 H new ATOM 0 HB3 LEU A 28 102.151 10.759 -4.577 1.00 0.00 H new ATOM 0 HG LEU A 28 101.252 7.985 -3.742 1.00 0.00 H new ATOM 0 HD11 LEU A 28 102.456 8.305 -1.597 1.00 0.00 H new ATOM 0 HD12 LEU A 28 103.595 8.224 -2.962 1.00 0.00 H new ATOM 0 HD13 LEU A 28 103.192 9.796 -2.232 1.00 0.00 H new ATOM 0 HD21 LEU A 28 100.182 9.292 -1.925 1.00 0.00 H new ATOM 0 HD22 LEU A 28 100.923 10.781 -2.560 1.00 0.00 H new ATOM 0 HD23 LEU A 28 99.704 9.912 -3.523 1.00 0.00 H new ATOM 438 N ALA A 29 102.215 7.652 -7.334 1.00 0.00 N ATOM 439 CA ALA A 29 102.459 6.249 -7.785 1.00 0.00 C ATOM 440 C ALA A 29 103.811 5.770 -7.249 1.00 0.00 C ATOM 441 O ALA A 29 104.547 5.074 -7.921 1.00 0.00 O ATOM 442 CB ALA A 29 102.471 6.200 -9.314 1.00 0.00 C ATOM 0 H ALA A 29 102.709 8.370 -7.864 1.00 0.00 H new ATOM 0 HA ALA A 29 101.667 5.602 -7.407 1.00 0.00 H new ATOM 0 HB1 ALA A 29 102.649 5.176 -9.644 1.00 0.00 H new ATOM 0 HB2 ALA A 29 101.510 6.542 -9.697 1.00 0.00 H new ATOM 0 HB3 ALA A 29 103.263 6.846 -9.693 1.00 0.00 H new ATOM 448 N CYS A 30 104.140 6.137 -6.042 1.00 0.00 N ATOM 449 CA CYS A 30 105.441 5.709 -5.451 1.00 0.00 C ATOM 450 C CYS A 30 105.213 5.328 -3.988 1.00 0.00 C ATOM 451 O CYS A 30 104.602 6.066 -3.241 1.00 0.00 O ATOM 452 CB CYS A 30 106.431 6.872 -5.530 1.00 0.00 C ATOM 453 SG CYS A 30 108.080 6.241 -5.918 1.00 0.00 S ATOM 0 H CYS A 30 103.561 6.718 -5.435 1.00 0.00 H new ATOM 0 HA CYS A 30 105.841 4.854 -5.996 1.00 0.00 H new ATOM 0 HB2 CYS A 30 106.113 7.582 -6.294 1.00 0.00 H new ATOM 0 HB3 CYS A 30 106.451 7.411 -4.583 1.00 0.00 H new ATOM 0 HG CYS A 30 108.741 7.138 -6.588 1.00 0.00 H new ATOM 459 N PHE A 31 105.680 4.182 -3.562 1.00 0.00 N ATOM 460 CA PHE A 31 105.446 3.799 -2.138 1.00 0.00 C ATOM 461 C PHE A 31 106.601 2.949 -1.597 1.00 0.00 C ATOM 462 O PHE A 31 107.399 2.402 -2.338 1.00 0.00 O ATOM 463 CB PHE A 31 104.158 2.984 -2.029 1.00 0.00 C ATOM 464 CG PHE A 31 103.054 3.617 -2.843 1.00 0.00 C ATOM 465 CD1 PHE A 31 103.078 3.535 -4.240 1.00 0.00 C ATOM 466 CD2 PHE A 31 101.995 4.267 -2.198 1.00 0.00 C ATOM 467 CE1 PHE A 31 102.047 4.106 -4.992 1.00 0.00 C ATOM 468 CE2 PHE A 31 100.961 4.832 -2.948 1.00 0.00 C ATOM 469 CZ PHE A 31 100.985 4.754 -4.345 1.00 0.00 C ATOM 0 H PHE A 31 106.201 3.509 -4.124 1.00 0.00 H new ATOM 0 HA PHE A 31 105.372 4.716 -1.554 1.00 0.00 H new ATOM 0 HB2 PHE A 31 104.335 1.966 -2.377 1.00 0.00 H new ATOM 0 HB3 PHE A 31 103.853 2.915 -0.985 1.00 0.00 H new ATOM 0 HD1 PHE A 31 103.893 3.030 -4.737 1.00 0.00 H new ATOM 0 HD2 PHE A 31 101.978 4.332 -1.120 1.00 0.00 H new ATOM 0 HE1 PHE A 31 102.068 4.048 -6.070 1.00 0.00 H new ATOM 0 HE2 PHE A 31 100.142 5.329 -2.449 1.00 0.00 H new ATOM 0 HZ PHE A 31 100.186 5.193 -4.924 1.00 0.00 H new ATOM 479 N ALA A 32 106.670 2.827 -0.298 1.00 0.00 N ATOM 480 CA ALA A 32 107.740 2.009 0.339 1.00 0.00 C ATOM 481 C ALA A 32 107.104 1.104 1.399 1.00 0.00 C ATOM 482 O ALA A 32 106.398 1.563 2.276 1.00 0.00 O ATOM 483 CB ALA A 32 108.761 2.933 1.006 1.00 0.00 C ATOM 0 H ALA A 32 106.022 3.266 0.356 1.00 0.00 H new ATOM 0 HA ALA A 32 108.242 1.403 -0.415 1.00 0.00 H new ATOM 0 HB1 ALA A 32 109.544 2.334 1.472 1.00 0.00 H new ATOM 0 HB2 ALA A 32 109.204 3.588 0.256 1.00 0.00 H new ATOM 0 HB3 ALA A 32 108.264 3.536 1.766 1.00 0.00 H new ATOM 489 N ILE A 33 107.335 -0.178 1.321 1.00 0.00 N ATOM 490 CA ILE A 33 106.728 -1.104 2.321 1.00 0.00 C ATOM 491 C ILE A 33 107.736 -1.436 3.420 1.00 0.00 C ATOM 492 O ILE A 33 108.902 -1.661 3.167 1.00 0.00 O ATOM 493 CB ILE A 33 106.311 -2.404 1.632 1.00 0.00 C ATOM 494 CG1 ILE A 33 105.421 -2.082 0.432 1.00 0.00 C ATOM 495 CG2 ILE A 33 105.539 -3.281 2.623 1.00 0.00 C ATOM 496 CD1 ILE A 33 104.072 -1.558 0.923 1.00 0.00 C ATOM 0 H ILE A 33 107.916 -0.624 0.611 1.00 0.00 H new ATOM 0 HA ILE A 33 105.859 -0.615 2.761 1.00 0.00 H new ATOM 0 HB ILE A 33 107.199 -2.937 1.291 1.00 0.00 H new ATOM 0 HG12 ILE A 33 105.903 -1.338 -0.202 1.00 0.00 H new ATOM 0 HG13 ILE A 33 105.277 -2.974 -0.177 1.00 0.00 H new ATOM 0 HG21 ILE A 33 105.241 -4.208 2.133 1.00 0.00 H new ATOM 0 HG22 ILE A 33 106.175 -3.511 3.478 1.00 0.00 H new ATOM 0 HG23 ILE A 33 104.651 -2.749 2.964 1.00 0.00 H new ATOM 0 HD11 ILE A 33 103.437 -1.328 0.067 1.00 0.00 H new ATOM 0 HD12 ILE A 33 103.589 -2.317 1.539 1.00 0.00 H new ATOM 0 HD13 ILE A 33 104.226 -0.655 1.513 1.00 0.00 H new ATOM 508 N TYR A 34 107.279 -1.495 4.639 1.00 0.00 N ATOM 509 CA TYR A 34 108.183 -1.844 5.768 1.00 0.00 C ATOM 510 C TYR A 34 107.537 -2.988 6.543 1.00 0.00 C ATOM 511 O TYR A 34 106.569 -2.797 7.253 1.00 0.00 O ATOM 512 CB TYR A 34 108.365 -0.637 6.690 1.00 0.00 C ATOM 513 CG TYR A 34 109.122 -1.061 7.929 1.00 0.00 C ATOM 514 CD1 TYR A 34 110.011 -2.143 7.873 1.00 0.00 C ATOM 515 CD2 TYR A 34 108.935 -0.372 9.133 1.00 0.00 C ATOM 516 CE1 TYR A 34 110.711 -2.534 9.019 1.00 0.00 C ATOM 517 CE2 TYR A 34 109.635 -0.764 10.279 1.00 0.00 C ATOM 518 CZ TYR A 34 110.522 -1.845 10.223 1.00 0.00 C ATOM 519 OH TYR A 34 111.213 -2.229 11.354 1.00 0.00 O ATOM 0 H TYR A 34 106.310 -1.315 4.903 1.00 0.00 H new ATOM 0 HA TYR A 34 109.162 -2.138 5.390 1.00 0.00 H new ATOM 0 HB2 TYR A 34 108.908 0.152 6.171 1.00 0.00 H new ATOM 0 HB3 TYR A 34 107.394 -0.227 6.966 1.00 0.00 H new ATOM 0 HD1 TYR A 34 110.156 -2.675 6.944 1.00 0.00 H new ATOM 0 HD2 TYR A 34 108.250 0.462 9.177 1.00 0.00 H new ATOM 0 HE1 TYR A 34 111.397 -3.367 8.975 1.00 0.00 H new ATOM 0 HE2 TYR A 34 109.491 -0.232 11.208 1.00 0.00 H new ATOM 0 HH TYR A 34 111.639 -1.445 11.759 1.00 0.00 H new ATOM 529 N THR A 35 108.041 -4.180 6.400 1.00 0.00 N ATOM 530 CA THR A 35 107.418 -5.327 7.120 1.00 0.00 C ATOM 531 C THR A 35 108.427 -6.465 7.251 1.00 0.00 C ATOM 532 O THR A 35 109.545 -6.379 6.781 1.00 0.00 O ATOM 533 CB THR A 35 106.191 -5.832 6.338 1.00 0.00 C ATOM 534 OG1 THR A 35 106.505 -7.062 5.701 1.00 0.00 O ATOM 535 CG2 THR A 35 105.774 -4.810 5.276 1.00 0.00 C ATOM 0 H THR A 35 108.849 -4.410 5.822 1.00 0.00 H new ATOM 0 HA THR A 35 107.109 -4.994 8.111 1.00 0.00 H new ATOM 0 HB THR A 35 105.368 -5.975 7.038 1.00 0.00 H new ATOM 0 HG1 THR A 35 106.803 -6.889 4.784 1.00 0.00 H new ATOM 0 HG21 THR A 35 104.906 -5.183 4.733 1.00 0.00 H new ATOM 0 HG22 THR A 35 105.522 -3.866 5.759 1.00 0.00 H new ATOM 0 HG23 THR A 35 106.597 -4.653 4.579 1.00 0.00 H new ATOM 543 N THR A 36 108.032 -7.539 7.875 1.00 0.00 N ATOM 544 CA THR A 36 108.957 -8.692 8.026 1.00 0.00 C ATOM 545 C THR A 36 109.380 -9.169 6.634 1.00 0.00 C ATOM 546 O THR A 36 108.818 -8.767 5.635 1.00 0.00 O ATOM 547 CB THR A 36 108.241 -9.829 8.765 1.00 0.00 C ATOM 548 OG1 THR A 36 106.904 -9.928 8.296 1.00 0.00 O ATOM 549 CG2 THR A 36 108.237 -9.540 10.268 1.00 0.00 C ATOM 0 H THR A 36 107.108 -7.667 8.287 1.00 0.00 H new ATOM 0 HA THR A 36 109.836 -8.393 8.597 1.00 0.00 H new ATOM 0 HB THR A 36 108.762 -10.768 8.580 1.00 0.00 H new ATOM 0 HG1 THR A 36 106.495 -10.748 8.644 1.00 0.00 H new ATOM 0 HG21 THR A 36 107.728 -10.349 10.793 1.00 0.00 H new ATOM 0 HG22 THR A 36 109.264 -9.464 10.627 1.00 0.00 H new ATOM 0 HG23 THR A 36 107.717 -8.601 10.457 1.00 0.00 H new ATOM 557 N LYS A 37 110.367 -10.015 6.557 1.00 0.00 N ATOM 558 CA LYS A 37 110.826 -10.506 5.232 1.00 0.00 C ATOM 559 C LYS A 37 109.777 -11.449 4.632 1.00 0.00 C ATOM 560 O LYS A 37 109.472 -11.387 3.459 1.00 0.00 O ATOM 561 CB LYS A 37 112.140 -11.261 5.415 1.00 0.00 C ATOM 562 CG LYS A 37 111.933 -12.413 6.399 1.00 0.00 C ATOM 563 CD LYS A 37 113.261 -13.135 6.630 1.00 0.00 C ATOM 564 CE LYS A 37 113.261 -13.774 8.019 1.00 0.00 C ATOM 565 NZ LYS A 37 114.330 -13.152 8.850 1.00 0.00 N ATOM 0 H LYS A 37 110.877 -10.388 7.358 1.00 0.00 H new ATOM 0 HA LYS A 37 110.970 -9.661 4.559 1.00 0.00 H new ATOM 0 HB2 LYS A 37 112.487 -11.646 4.456 1.00 0.00 H new ATOM 0 HB3 LYS A 37 112.911 -10.586 5.786 1.00 0.00 H new ATOM 0 HG2 LYS A 37 111.545 -12.032 7.344 1.00 0.00 H new ATOM 0 HG3 LYS A 37 111.192 -13.110 6.008 1.00 0.00 H new ATOM 0 HD2 LYS A 37 113.409 -13.899 5.867 1.00 0.00 H new ATOM 0 HD3 LYS A 37 114.089 -12.432 6.542 1.00 0.00 H new ATOM 0 HE2 LYS A 37 112.290 -13.637 8.494 1.00 0.00 H new ATOM 0 HE3 LYS A 37 113.427 -14.848 7.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 114.331 -13.586 9.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 115.254 -13.304 8.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 114.152 -12.131 8.938 1.00 0.00 H new ATOM 579 N GLU A 38 109.237 -12.333 5.427 1.00 0.00 N ATOM 580 CA GLU A 38 108.224 -13.292 4.908 1.00 0.00 C ATOM 581 C GLU A 38 107.073 -12.543 4.228 1.00 0.00 C ATOM 582 O GLU A 38 106.373 -13.090 3.400 1.00 0.00 O ATOM 583 CB GLU A 38 107.675 -14.125 6.067 1.00 0.00 C ATOM 584 CG GLU A 38 106.905 -13.219 7.029 1.00 0.00 C ATOM 585 CD GLU A 38 106.916 -13.834 8.430 1.00 0.00 C ATOM 586 OE1 GLU A 38 106.277 -14.858 8.610 1.00 0.00 O ATOM 587 OE2 GLU A 38 107.564 -13.272 9.298 1.00 0.00 O ATOM 0 H GLU A 38 109.456 -12.431 6.418 1.00 0.00 H new ATOM 0 HA GLU A 38 108.699 -13.943 4.174 1.00 0.00 H new ATOM 0 HB2 GLU A 38 107.020 -14.909 5.687 1.00 0.00 H new ATOM 0 HB3 GLU A 38 108.492 -14.619 6.592 1.00 0.00 H new ATOM 0 HG2 GLU A 38 107.357 -12.228 7.052 1.00 0.00 H new ATOM 0 HG3 GLU A 38 105.879 -13.093 6.684 1.00 0.00 H new ATOM 594 N LYS A 39 106.864 -11.301 4.571 1.00 0.00 N ATOM 595 CA LYS A 39 105.748 -10.538 3.938 1.00 0.00 C ATOM 596 C LYS A 39 106.246 -9.849 2.670 1.00 0.00 C ATOM 597 O LYS A 39 105.695 -10.027 1.604 1.00 0.00 O ATOM 598 CB LYS A 39 105.231 -9.485 4.916 1.00 0.00 C ATOM 599 CG LYS A 39 103.712 -9.608 5.030 1.00 0.00 C ATOM 600 CD LYS A 39 103.147 -8.341 5.669 1.00 0.00 C ATOM 601 CE LYS A 39 103.906 -8.046 6.962 1.00 0.00 C ATOM 602 NZ LYS A 39 103.635 -9.125 7.952 1.00 0.00 N ATOM 0 H LYS A 39 107.413 -10.783 5.257 1.00 0.00 H new ATOM 0 HA LYS A 39 104.943 -11.227 3.682 1.00 0.00 H new ATOM 0 HB2 LYS A 39 105.693 -9.621 5.894 1.00 0.00 H new ATOM 0 HB3 LYS A 39 105.502 -8.487 4.571 1.00 0.00 H new ATOM 0 HG2 LYS A 39 103.273 -9.758 4.044 1.00 0.00 H new ATOM 0 HG3 LYS A 39 103.451 -10.479 5.631 1.00 0.00 H new ATOM 0 HD2 LYS A 39 103.238 -7.501 4.981 1.00 0.00 H new ATOM 0 HD3 LYS A 39 102.085 -8.468 5.878 1.00 0.00 H new ATOM 0 HE2 LYS A 39 104.976 -7.981 6.762 1.00 0.00 H new ATOM 0 HE3 LYS A 39 103.598 -7.081 7.365 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 103.179 -8.718 8.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 103.006 -9.836 7.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 104.531 -9.576 8.228 1.00 0.00 H new ATOM 616 N ALA A 40 107.278 -9.059 2.773 1.00 0.00 N ATOM 617 CA ALA A 40 107.797 -8.359 1.565 1.00 0.00 C ATOM 618 C ALA A 40 108.001 -9.368 0.435 1.00 0.00 C ATOM 619 O ALA A 40 107.841 -9.052 -0.726 1.00 0.00 O ATOM 620 CB ALA A 40 109.131 -7.691 1.889 1.00 0.00 C ATOM 0 H ALA A 40 107.783 -8.868 3.638 1.00 0.00 H new ATOM 0 HA ALA A 40 107.077 -7.602 1.255 1.00 0.00 H new ATOM 0 HB1 ALA A 40 109.507 -7.180 1.003 1.00 0.00 H new ATOM 0 HB2 ALA A 40 108.990 -6.968 2.692 1.00 0.00 H new ATOM 0 HB3 ALA A 40 109.850 -8.448 2.204 1.00 0.00 H new ATOM 626 N ALA A 41 108.357 -10.579 0.764 1.00 0.00 N ATOM 627 CA ALA A 41 108.572 -11.602 -0.297 1.00 0.00 C ATOM 628 C ALA A 41 107.251 -11.871 -1.016 1.00 0.00 C ATOM 629 O ALA A 41 107.201 -11.995 -2.223 1.00 0.00 O ATOM 630 CB ALA A 41 109.085 -12.896 0.337 1.00 0.00 C ATOM 0 H ALA A 41 108.508 -10.904 1.719 1.00 0.00 H new ATOM 0 HA ALA A 41 109.307 -11.236 -1.013 1.00 0.00 H new ATOM 0 HB1 ALA A 41 109.242 -13.644 -0.440 1.00 0.00 H new ATOM 0 HB2 ALA A 41 110.027 -12.701 0.849 1.00 0.00 H new ATOM 0 HB3 ALA A 41 108.352 -13.266 1.054 1.00 0.00 H new ATOM 636 N LEU A 42 106.178 -11.959 -0.280 1.00 0.00 N ATOM 637 CA LEU A 42 104.855 -12.214 -0.915 1.00 0.00 C ATOM 638 C LEU A 42 104.356 -10.925 -1.571 1.00 0.00 C ATOM 639 O LEU A 42 103.524 -10.947 -2.457 1.00 0.00 O ATOM 640 CB LEU A 42 103.855 -12.670 0.149 1.00 0.00 C ATOM 641 CG LEU A 42 104.239 -14.063 0.653 1.00 0.00 C ATOM 642 CD1 LEU A 42 103.315 -14.462 1.805 1.00 0.00 C ATOM 643 CD2 LEU A 42 104.098 -15.075 -0.487 1.00 0.00 C ATOM 0 H LEU A 42 106.160 -11.865 0.736 1.00 0.00 H new ATOM 0 HA LEU A 42 104.955 -12.994 -1.670 1.00 0.00 H new ATOM 0 HB2 LEU A 42 103.844 -11.963 0.978 1.00 0.00 H new ATOM 0 HB3 LEU A 42 102.848 -12.688 -0.268 1.00 0.00 H new ATOM 0 HG LEU A 42 105.271 -14.050 1.003 1.00 0.00 H new ATOM 0 HD11 LEU A 42 103.589 -15.454 2.164 1.00 0.00 H new ATOM 0 HD12 LEU A 42 103.415 -13.742 2.617 1.00 0.00 H new ATOM 0 HD13 LEU A 42 102.283 -14.474 1.456 1.00 0.00 H new ATOM 0 HD21 LEU A 42 104.371 -16.067 -0.128 1.00 0.00 H new ATOM 0 HD22 LEU A 42 103.066 -15.087 -0.837 1.00 0.00 H new ATOM 0 HD23 LEU A 42 104.756 -14.792 -1.308 1.00 0.00 H new ATOM 655 N LEU A 43 104.869 -9.800 -1.150 1.00 0.00 N ATOM 656 CA LEU A 43 104.437 -8.509 -1.751 1.00 0.00 C ATOM 657 C LEU A 43 105.323 -8.207 -2.955 1.00 0.00 C ATOM 658 O LEU A 43 105.007 -7.374 -3.780 1.00 0.00 O ATOM 659 CB LEU A 43 104.580 -7.385 -0.720 1.00 0.00 C ATOM 660 CG LEU A 43 103.632 -7.639 0.454 1.00 0.00 C ATOM 661 CD1 LEU A 43 103.485 -6.358 1.280 1.00 0.00 C ATOM 662 CD2 LEU A 43 102.260 -8.057 -0.076 1.00 0.00 C ATOM 0 H LEU A 43 105.570 -9.721 -0.414 1.00 0.00 H new ATOM 0 HA LEU A 43 103.394 -8.578 -2.062 1.00 0.00 H new ATOM 0 HB2 LEU A 43 105.609 -7.333 -0.364 1.00 0.00 H new ATOM 0 HB3 LEU A 43 104.354 -6.424 -1.182 1.00 0.00 H new ATOM 0 HG LEU A 43 104.039 -8.433 1.080 1.00 0.00 H new ATOM 0 HD11 LEU A 43 102.810 -6.540 2.116 1.00 0.00 H new ATOM 0 HD12 LEU A 43 104.461 -6.057 1.661 1.00 0.00 H new ATOM 0 HD13 LEU A 43 103.080 -5.565 0.652 1.00 0.00 H new ATOM 0 HD21 LEU A 43 101.586 -8.238 0.761 1.00 0.00 H new ATOM 0 HD22 LEU A 43 101.855 -7.263 -0.703 1.00 0.00 H new ATOM 0 HD23 LEU A 43 102.360 -8.969 -0.665 1.00 0.00 H new ATOM 674 N TYR A 44 106.431 -8.882 -3.064 1.00 0.00 N ATOM 675 CA TYR A 44 107.337 -8.641 -4.215 1.00 0.00 C ATOM 676 C TYR A 44 106.784 -9.367 -5.439 1.00 0.00 C ATOM 677 O TYR A 44 106.495 -8.765 -6.456 1.00 0.00 O ATOM 678 CB TYR A 44 108.734 -9.167 -3.879 1.00 0.00 C ATOM 679 CG TYR A 44 109.760 -8.532 -4.789 1.00 0.00 C ATOM 680 CD1 TYR A 44 109.778 -8.851 -6.151 1.00 0.00 C ATOM 681 CD2 TYR A 44 110.704 -7.634 -4.269 1.00 0.00 C ATOM 682 CE1 TYR A 44 110.734 -8.274 -6.993 1.00 0.00 C ATOM 683 CE2 TYR A 44 111.661 -7.062 -5.113 1.00 0.00 C ATOM 684 CZ TYR A 44 111.677 -7.380 -6.474 1.00 0.00 C ATOM 685 OH TYR A 44 112.623 -6.817 -7.305 1.00 0.00 O ATOM 0 H TYR A 44 106.748 -9.592 -2.403 1.00 0.00 H new ATOM 0 HA TYR A 44 107.402 -7.573 -4.425 1.00 0.00 H new ATOM 0 HB2 TYR A 44 108.973 -8.947 -2.839 1.00 0.00 H new ATOM 0 HB3 TYR A 44 108.759 -10.251 -3.990 1.00 0.00 H new ATOM 0 HD1 TYR A 44 109.053 -9.543 -6.553 1.00 0.00 H new ATOM 0 HD2 TYR A 44 110.692 -7.385 -3.218 1.00 0.00 H new ATOM 0 HE1 TYR A 44 110.744 -8.519 -8.045 1.00 0.00 H new ATOM 0 HE2 TYR A 44 112.390 -6.373 -4.712 1.00 0.00 H new ATOM 0 HH TYR A 44 112.892 -5.944 -6.950 1.00 0.00 H new ATOM 695 N LYS A 45 106.620 -10.656 -5.345 1.00 0.00 N ATOM 696 CA LYS A 45 106.073 -11.421 -6.497 1.00 0.00 C ATOM 697 C LYS A 45 104.617 -11.009 -6.728 1.00 0.00 C ATOM 698 O LYS A 45 104.066 -11.217 -7.791 1.00 0.00 O ATOM 699 CB LYS A 45 106.145 -12.919 -6.193 1.00 0.00 C ATOM 700 CG LYS A 45 106.462 -13.688 -7.478 1.00 0.00 C ATOM 701 CD LYS A 45 107.937 -14.096 -7.480 1.00 0.00 C ATOM 702 CE LYS A 45 108.110 -15.377 -8.299 1.00 0.00 C ATOM 703 NZ LYS A 45 109.007 -16.317 -7.568 1.00 0.00 N ATOM 0 H LYS A 45 106.841 -11.213 -4.519 1.00 0.00 H new ATOM 0 HA LYS A 45 106.657 -11.208 -7.392 1.00 0.00 H new ATOM 0 HB2 LYS A 45 106.912 -13.112 -5.443 1.00 0.00 H new ATOM 0 HB3 LYS A 45 105.198 -13.262 -5.776 1.00 0.00 H new ATOM 0 HG2 LYS A 45 105.829 -14.573 -7.550 1.00 0.00 H new ATOM 0 HG3 LYS A 45 106.244 -13.068 -8.348 1.00 0.00 H new ATOM 0 HD2 LYS A 45 108.546 -13.297 -7.902 1.00 0.00 H new ATOM 0 HD3 LYS A 45 108.283 -14.255 -6.459 1.00 0.00 H new ATOM 0 HE2 LYS A 45 107.141 -15.844 -8.473 1.00 0.00 H new ATOM 0 HE3 LYS A 45 108.531 -15.142 -9.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 109.125 -17.188 -8.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 109.935 -15.870 -7.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 108.588 -16.550 -6.645 1.00 0.00 H new ATOM 717 N LYS A 46 103.987 -10.427 -5.740 1.00 0.00 N ATOM 718 CA LYS A 46 102.568 -10.005 -5.910 1.00 0.00 C ATOM 719 C LYS A 46 102.514 -8.569 -6.440 1.00 0.00 C ATOM 720 O LYS A 46 102.133 -8.332 -7.570 1.00 0.00 O ATOM 721 CB LYS A 46 101.848 -10.079 -4.563 1.00 0.00 C ATOM 722 CG LYS A 46 101.521 -11.539 -4.242 1.00 0.00 C ATOM 723 CD LYS A 46 100.437 -11.596 -3.163 1.00 0.00 C ATOM 724 CE LYS A 46 99.833 -13.000 -3.122 1.00 0.00 C ATOM 725 NZ LYS A 46 100.731 -13.904 -2.349 1.00 0.00 N ATOM 0 H LYS A 46 104.394 -10.227 -4.826 1.00 0.00 H new ATOM 0 HA LYS A 46 102.079 -10.670 -6.622 1.00 0.00 H new ATOM 0 HB2 LYS A 46 102.475 -9.654 -3.779 1.00 0.00 H new ATOM 0 HB3 LYS A 46 100.933 -9.488 -4.594 1.00 0.00 H new ATOM 0 HG2 LYS A 46 101.181 -12.052 -5.141 1.00 0.00 H new ATOM 0 HG3 LYS A 46 102.417 -12.056 -3.899 1.00 0.00 H new ATOM 0 HD2 LYS A 46 100.862 -11.343 -2.192 1.00 0.00 H new ATOM 0 HD3 LYS A 46 99.661 -10.860 -3.373 1.00 0.00 H new ATOM 0 HE2 LYS A 46 98.846 -12.970 -2.661 1.00 0.00 H new ATOM 0 HE3 LYS A 46 99.701 -13.380 -4.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 100.321 -14.859 -2.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 101.664 -13.941 -2.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 100.836 -13.543 -1.379 1.00 0.00 H new ATOM 739 N ILE A 47 102.889 -7.607 -5.638 1.00 0.00 N ATOM 740 CA ILE A 47 102.851 -6.192 -6.111 1.00 0.00 C ATOM 741 C ILE A 47 103.428 -6.115 -7.527 1.00 0.00 C ATOM 742 O ILE A 47 103.105 -5.229 -8.291 1.00 0.00 O ATOM 743 CB ILE A 47 103.695 -5.308 -5.190 1.00 0.00 C ATOM 744 CG1 ILE A 47 103.003 -5.164 -3.826 1.00 0.00 C ATOM 745 CG2 ILE A 47 103.863 -3.929 -5.835 1.00 0.00 C ATOM 746 CD1 ILE A 47 101.921 -4.078 -3.893 1.00 0.00 C ATOM 0 H ILE A 47 103.218 -7.739 -4.682 1.00 0.00 H new ATOM 0 HA ILE A 47 101.818 -5.845 -6.104 1.00 0.00 H new ATOM 0 HB ILE A 47 104.674 -5.765 -5.042 1.00 0.00 H new ATOM 0 HG12 ILE A 47 102.557 -6.115 -3.534 1.00 0.00 H new ATOM 0 HG13 ILE A 47 103.738 -4.909 -3.062 1.00 0.00 H new ATOM 0 HG21 ILE A 47 104.464 -3.294 -5.184 1.00 0.00 H new ATOM 0 HG22 ILE A 47 104.362 -4.036 -6.798 1.00 0.00 H new ATOM 0 HG23 ILE A 47 102.883 -3.474 -5.982 1.00 0.00 H new ATOM 0 HD11 ILE A 47 101.438 -3.985 -2.920 1.00 0.00 H new ATOM 0 HD12 ILE A 47 102.377 -3.126 -4.164 1.00 0.00 H new ATOM 0 HD13 ILE A 47 101.178 -4.350 -4.643 1.00 0.00 H new ATOM 758 N MET A 48 104.293 -7.028 -7.874 1.00 0.00 N ATOM 759 CA MET A 48 104.908 -7.005 -9.233 1.00 0.00 C ATOM 760 C MET A 48 103.843 -6.717 -10.295 1.00 0.00 C ATOM 761 O MET A 48 103.660 -5.592 -10.716 1.00 0.00 O ATOM 762 CB MET A 48 105.554 -8.362 -9.517 1.00 0.00 C ATOM 763 CG MET A 48 107.072 -8.199 -9.593 1.00 0.00 C ATOM 764 SD MET A 48 107.758 -9.458 -10.696 1.00 0.00 S ATOM 765 CE MET A 48 109.180 -9.906 -9.671 1.00 0.00 C ATOM 0 H MET A 48 104.602 -7.792 -7.273 1.00 0.00 H new ATOM 0 HA MET A 48 105.662 -6.219 -9.268 1.00 0.00 H new ATOM 0 HB2 MET A 48 105.293 -9.072 -8.732 1.00 0.00 H new ATOM 0 HB3 MET A 48 105.174 -8.768 -10.454 1.00 0.00 H new ATOM 0 HG2 MET A 48 107.324 -7.203 -9.958 1.00 0.00 H new ATOM 0 HG3 MET A 48 107.509 -8.294 -8.599 1.00 0.00 H new ATOM 0 HE1 MET A 48 109.590 -10.856 -10.013 1.00 0.00 H new ATOM 0 HE2 MET A 48 109.943 -9.132 -9.750 1.00 0.00 H new ATOM 0 HE3 MET A 48 108.864 -10.000 -8.632 1.00 0.00 H new ATOM 775 N GLU A 49 103.152 -7.729 -10.744 1.00 0.00 N ATOM 776 CA GLU A 49 102.114 -7.521 -11.795 1.00 0.00 C ATOM 777 C GLU A 49 100.909 -6.781 -11.208 1.00 0.00 C ATOM 778 O GLU A 49 100.134 -6.178 -11.925 1.00 0.00 O ATOM 779 CB GLU A 49 101.662 -8.878 -12.336 1.00 0.00 C ATOM 780 CG GLU A 49 102.836 -9.567 -13.032 1.00 0.00 C ATOM 781 CD GLU A 49 103.266 -10.792 -12.220 1.00 0.00 C ATOM 782 OE1 GLU A 49 102.656 -11.835 -12.392 1.00 0.00 O ATOM 783 OE2 GLU A 49 104.195 -10.665 -11.441 1.00 0.00 O ATOM 0 H GLU A 49 103.261 -8.693 -10.428 1.00 0.00 H new ATOM 0 HA GLU A 49 102.539 -6.924 -12.602 1.00 0.00 H new ATOM 0 HB2 GLU A 49 101.292 -9.501 -11.522 1.00 0.00 H new ATOM 0 HB3 GLU A 49 100.837 -8.746 -13.036 1.00 0.00 H new ATOM 0 HG2 GLU A 49 102.549 -9.868 -14.039 1.00 0.00 H new ATOM 0 HG3 GLU A 49 103.671 -8.873 -13.132 1.00 0.00 H new ATOM 790 N LYS A 50 100.737 -6.822 -9.918 1.00 0.00 N ATOM 791 CA LYS A 50 99.574 -6.122 -9.302 1.00 0.00 C ATOM 792 C LYS A 50 99.673 -4.618 -9.575 1.00 0.00 C ATOM 793 O LYS A 50 98.676 -3.925 -9.642 1.00 0.00 O ATOM 794 CB LYS A 50 99.572 -6.367 -7.793 1.00 0.00 C ATOM 795 CG LYS A 50 98.341 -5.702 -7.171 1.00 0.00 C ATOM 796 CD LYS A 50 97.351 -6.776 -6.712 1.00 0.00 C ATOM 797 CE LYS A 50 98.073 -7.799 -5.833 1.00 0.00 C ATOM 798 NZ LYS A 50 98.214 -9.083 -6.577 1.00 0.00 N ATOM 0 H LYS A 50 101.349 -7.309 -9.263 1.00 0.00 H new ATOM 0 HA LYS A 50 98.651 -6.507 -9.735 1.00 0.00 H new ATOM 0 HB2 LYS A 50 99.564 -7.437 -7.587 1.00 0.00 H new ATOM 0 HB3 LYS A 50 100.481 -5.964 -7.347 1.00 0.00 H new ATOM 0 HG2 LYS A 50 98.639 -5.083 -6.325 1.00 0.00 H new ATOM 0 HG3 LYS A 50 97.866 -5.042 -7.897 1.00 0.00 H new ATOM 0 HD2 LYS A 50 96.533 -6.317 -6.156 1.00 0.00 H new ATOM 0 HD3 LYS A 50 96.910 -7.272 -7.577 1.00 0.00 H new ATOM 0 HE2 LYS A 50 99.055 -7.421 -5.549 1.00 0.00 H new ATOM 0 HE3 LYS A 50 97.515 -7.960 -4.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 99.083 -9.567 -6.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 97.393 -9.690 -6.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 98.264 -8.889 -7.598 1.00 0.00 H new ATOM 812 N TYR A 51 100.864 -4.107 -9.729 1.00 0.00 N ATOM 813 CA TYR A 51 101.019 -2.648 -9.991 1.00 0.00 C ATOM 814 C TYR A 51 102.100 -2.415 -11.045 1.00 0.00 C ATOM 815 O TYR A 51 102.637 -1.333 -11.145 1.00 0.00 O ATOM 816 CB TYR A 51 101.441 -1.940 -8.702 1.00 0.00 C ATOM 817 CG TYR A 51 100.267 -1.844 -7.764 1.00 0.00 C ATOM 818 CD1 TYR A 51 99.412 -0.739 -7.823 1.00 0.00 C ATOM 819 CD2 TYR A 51 100.033 -2.863 -6.837 1.00 0.00 C ATOM 820 CE1 TYR A 51 98.323 -0.650 -6.955 1.00 0.00 C ATOM 821 CE2 TYR A 51 98.944 -2.777 -5.965 1.00 0.00 C ATOM 822 CZ TYR A 51 98.086 -1.668 -6.024 1.00 0.00 C ATOM 823 OH TYR A 51 97.009 -1.583 -5.165 1.00 0.00 O ATOM 0 H TYR A 51 101.735 -4.636 -9.685 1.00 0.00 H new ATOM 0 HA TYR A 51 100.067 -2.254 -10.347 1.00 0.00 H new ATOM 0 HB2 TYR A 51 102.255 -2.487 -8.226 1.00 0.00 H new ATOM 0 HB3 TYR A 51 101.818 -0.943 -8.931 1.00 0.00 H new ATOM 0 HD1 TYR A 51 99.595 0.047 -8.541 1.00 0.00 H new ATOM 0 HD2 TYR A 51 100.693 -3.717 -6.794 1.00 0.00 H new ATOM 0 HE1 TYR A 51 97.663 0.204 -7.002 1.00 0.00 H new ATOM 0 HE2 TYR A 51 98.763 -3.563 -5.247 1.00 0.00 H new ATOM 0 HH TYR A 51 96.990 -2.373 -4.585 1.00 0.00 H new ATOM 833 N SER A 52 102.438 -3.409 -11.824 1.00 0.00 N ATOM 834 CA SER A 52 103.502 -3.206 -12.850 1.00 0.00 C ATOM 835 C SER A 52 104.655 -2.434 -12.206 1.00 0.00 C ATOM 836 O SER A 52 105.228 -1.542 -12.798 1.00 0.00 O ATOM 837 CB SER A 52 102.939 -2.404 -14.022 1.00 0.00 C ATOM 838 OG SER A 52 102.365 -3.294 -14.969 1.00 0.00 O ATOM 0 H SER A 52 102.028 -4.343 -11.795 1.00 0.00 H new ATOM 0 HA SER A 52 103.856 -4.169 -13.218 1.00 0.00 H new ATOM 0 HB2 SER A 52 102.188 -1.699 -13.667 1.00 0.00 H new ATOM 0 HB3 SER A 52 103.730 -1.818 -14.490 1.00 0.00 H new ATOM 0 HG SER A 52 102.002 -2.782 -15.721 1.00 0.00 H new ATOM 844 N VAL A 53 104.963 -2.770 -10.979 1.00 0.00 N ATOM 845 CA VAL A 53 106.051 -2.076 -10.225 1.00 0.00 C ATOM 846 C VAL A 53 107.135 -1.547 -11.166 1.00 0.00 C ATOM 847 O VAL A 53 107.810 -2.299 -11.841 1.00 0.00 O ATOM 848 CB VAL A 53 106.687 -3.057 -9.242 1.00 0.00 C ATOM 849 CG1 VAL A 53 105.594 -3.740 -8.418 1.00 0.00 C ATOM 850 CG2 VAL A 53 107.476 -4.115 -10.017 1.00 0.00 C ATOM 0 H VAL A 53 104.496 -3.512 -10.457 1.00 0.00 H new ATOM 0 HA VAL A 53 105.610 -1.231 -9.696 1.00 0.00 H new ATOM 0 HB VAL A 53 107.358 -2.516 -8.575 1.00 0.00 H new ATOM 0 HG11 VAL A 53 106.050 -4.439 -7.717 1.00 0.00 H new ATOM 0 HG12 VAL A 53 105.031 -2.988 -7.865 1.00 0.00 H new ATOM 0 HG13 VAL A 53 104.921 -4.280 -9.083 1.00 0.00 H new ATOM 0 HG21 VAL A 53 107.930 -4.816 -9.316 1.00 0.00 H new ATOM 0 HG22 VAL A 53 106.804 -4.654 -10.684 1.00 0.00 H new ATOM 0 HG23 VAL A 53 108.257 -3.630 -10.603 1.00 0.00 H new ATOM 860 N THR A 54 107.325 -0.255 -11.186 1.00 0.00 N ATOM 861 CA THR A 54 108.388 0.327 -12.050 1.00 0.00 C ATOM 862 C THR A 54 109.738 -0.198 -11.563 1.00 0.00 C ATOM 863 O THR A 54 110.744 -0.101 -12.238 1.00 0.00 O ATOM 864 CB THR A 54 108.361 1.852 -11.938 1.00 0.00 C ATOM 865 OG1 THR A 54 107.015 2.304 -11.986 1.00 0.00 O ATOM 866 CG2 THR A 54 109.149 2.464 -13.097 1.00 0.00 C ATOM 0 H THR A 54 106.790 0.421 -10.641 1.00 0.00 H new ATOM 0 HA THR A 54 108.226 0.046 -13.091 1.00 0.00 H new ATOM 0 HB THR A 54 108.813 2.156 -10.994 1.00 0.00 H new ATOM 0 HG1 THR A 54 106.995 3.281 -11.913 1.00 0.00 H new ATOM 0 HG21 THR A 54 109.129 3.551 -13.017 1.00 0.00 H new ATOM 0 HG22 THR A 54 110.181 2.116 -13.059 1.00 0.00 H new ATOM 0 HG23 THR A 54 108.699 2.162 -14.043 1.00 0.00 H new ATOM 874 N PHE A 55 109.752 -0.755 -10.383 1.00 0.00 N ATOM 875 CA PHE A 55 111.008 -1.297 -9.808 1.00 0.00 C ATOM 876 C PHE A 55 110.736 -1.634 -8.346 1.00 0.00 C ATOM 877 O PHE A 55 110.083 -0.891 -7.640 1.00 0.00 O ATOM 878 CB PHE A 55 112.115 -0.243 -9.925 1.00 0.00 C ATOM 879 CG PHE A 55 113.138 -0.403 -8.814 1.00 0.00 C ATOM 880 CD1 PHE A 55 114.201 -1.307 -8.944 1.00 0.00 C ATOM 881 CD2 PHE A 55 113.018 0.365 -7.654 1.00 0.00 C ATOM 882 CE1 PHE A 55 115.140 -1.435 -7.913 1.00 0.00 C ATOM 883 CE2 PHE A 55 113.954 0.238 -6.624 1.00 0.00 C ATOM 884 CZ PHE A 55 115.017 -0.662 -6.753 1.00 0.00 C ATOM 0 H PHE A 55 108.931 -0.857 -9.786 1.00 0.00 H new ATOM 0 HA PHE A 55 111.333 -2.191 -10.340 1.00 0.00 H new ATOM 0 HB2 PHE A 55 112.607 -0.333 -10.893 1.00 0.00 H new ATOM 0 HB3 PHE A 55 111.678 0.755 -9.881 1.00 0.00 H new ATOM 0 HD1 PHE A 55 114.296 -1.904 -9.839 1.00 0.00 H new ATOM 0 HD2 PHE A 55 112.198 1.060 -7.552 1.00 0.00 H new ATOM 0 HE1 PHE A 55 115.960 -2.131 -8.013 1.00 0.00 H new ATOM 0 HE2 PHE A 55 113.857 0.834 -5.729 1.00 0.00 H new ATOM 0 HZ PHE A 55 115.742 -0.760 -5.958 1.00 0.00 H new ATOM 894 N ILE A 56 111.215 -2.748 -7.883 1.00 0.00 N ATOM 895 CA ILE A 56 110.956 -3.114 -6.469 1.00 0.00 C ATOM 896 C ILE A 56 112.213 -3.728 -5.860 1.00 0.00 C ATOM 897 O ILE A 56 112.764 -4.681 -6.373 1.00 0.00 O ATOM 898 CB ILE A 56 109.799 -4.110 -6.410 1.00 0.00 C ATOM 899 CG1 ILE A 56 109.659 -4.649 -4.986 1.00 0.00 C ATOM 900 CG2 ILE A 56 110.069 -5.266 -7.377 1.00 0.00 C ATOM 901 CD1 ILE A 56 108.580 -5.725 -4.959 1.00 0.00 C ATOM 0 H ILE A 56 111.770 -3.417 -8.417 1.00 0.00 H new ATOM 0 HA ILE A 56 110.690 -2.223 -5.900 1.00 0.00 H new ATOM 0 HB ILE A 56 108.874 -3.610 -6.697 1.00 0.00 H new ATOM 0 HG12 ILE A 56 110.609 -5.062 -4.646 1.00 0.00 H new ATOM 0 HG13 ILE A 56 109.400 -3.840 -4.303 1.00 0.00 H new ATOM 0 HG21 ILE A 56 109.243 -5.976 -7.335 1.00 0.00 H new ATOM 0 HG22 ILE A 56 110.162 -4.878 -8.391 1.00 0.00 H new ATOM 0 HG23 ILE A 56 110.994 -5.768 -7.095 1.00 0.00 H new ATOM 0 HD11 ILE A 56 108.477 -6.112 -3.945 1.00 0.00 H new ATOM 0 HD12 ILE A 56 107.631 -5.297 -5.282 1.00 0.00 H new ATOM 0 HD13 ILE A 56 108.859 -6.537 -5.631 1.00 0.00 H new ATOM 913 N SER A 57 112.686 -3.173 -4.778 1.00 0.00 N ATOM 914 CA SER A 57 113.924 -3.713 -4.151 1.00 0.00 C ATOM 915 C SER A 57 113.640 -4.275 -2.756 1.00 0.00 C ATOM 916 O SER A 57 112.873 -3.726 -1.990 1.00 0.00 O ATOM 917 CB SER A 57 114.949 -2.592 -4.028 1.00 0.00 C ATOM 918 OG SER A 57 114.282 -1.338 -4.061 1.00 0.00 O ATOM 0 H SER A 57 112.270 -2.372 -4.303 1.00 0.00 H new ATOM 0 HA SER A 57 114.303 -4.518 -4.780 1.00 0.00 H new ATOM 0 HB2 SER A 57 115.507 -2.695 -3.098 1.00 0.00 H new ATOM 0 HB3 SER A 57 115.671 -2.654 -4.842 1.00 0.00 H new ATOM 0 HG SER A 57 114.070 -1.105 -4.989 1.00 0.00 H new ATOM 924 N ARG A 58 114.286 -5.359 -2.421 1.00 0.00 N ATOM 925 CA ARG A 58 114.105 -5.973 -1.076 1.00 0.00 C ATOM 926 C ARG A 58 115.368 -5.696 -0.252 1.00 0.00 C ATOM 927 O ARG A 58 116.381 -6.340 -0.429 1.00 0.00 O ATOM 928 CB ARG A 58 113.898 -7.486 -1.246 1.00 0.00 C ATOM 929 CG ARG A 58 114.243 -8.231 0.051 1.00 0.00 C ATOM 930 CD ARG A 58 113.044 -9.080 0.481 1.00 0.00 C ATOM 931 NE ARG A 58 112.037 -8.213 1.159 1.00 0.00 N ATOM 932 CZ ARG A 58 111.917 -6.957 0.816 1.00 0.00 C ATOM 933 NH1 ARG A 58 111.252 -6.639 -0.260 1.00 0.00 N ATOM 934 NH2 ARG A 58 112.471 -6.027 1.543 1.00 0.00 N ATOM 0 H ARG A 58 114.940 -5.851 -3.031 1.00 0.00 H new ATOM 0 HA ARG A 58 113.238 -5.554 -0.566 1.00 0.00 H new ATOM 0 HB2 ARG A 58 112.863 -7.687 -1.522 1.00 0.00 H new ATOM 0 HB3 ARG A 58 114.523 -7.854 -2.060 1.00 0.00 H new ATOM 0 HG2 ARG A 58 115.116 -8.865 -0.102 1.00 0.00 H new ATOM 0 HG3 ARG A 58 114.499 -7.519 0.836 1.00 0.00 H new ATOM 0 HD2 ARG A 58 112.597 -9.563 -0.388 1.00 0.00 H new ATOM 0 HD3 ARG A 58 113.369 -9.873 1.155 1.00 0.00 H new ATOM 0 HE ARG A 58 111.441 -8.600 1.891 1.00 0.00 H new ATOM 0 HH11 ARG A 58 110.827 -7.369 -0.831 1.00 0.00 H new ATOM 0 HH12 ARG A 58 111.157 -5.660 -0.530 1.00 0.00 H new ATOM 0 HH21 ARG A 58 112.998 -6.279 2.379 1.00 0.00 H new ATOM 0 HH22 ARG A 58 112.377 -5.047 1.276 1.00 0.00 H new ATOM 948 N HIS A 59 115.321 -4.731 0.634 1.00 0.00 N ATOM 949 CA HIS A 59 116.529 -4.406 1.454 1.00 0.00 C ATOM 950 C HIS A 59 116.379 -4.962 2.872 1.00 0.00 C ATOM 951 O HIS A 59 115.398 -5.595 3.209 1.00 0.00 O ATOM 952 CB HIS A 59 116.691 -2.885 1.558 1.00 0.00 C ATOM 953 CG HIS A 59 116.494 -2.241 0.215 1.00 0.00 C ATOM 954 ND1 HIS A 59 117.504 -2.180 -0.732 1.00 0.00 N ATOM 955 CD2 HIS A 59 115.419 -1.596 -0.342 1.00 0.00 C ATOM 956 CE1 HIS A 59 117.022 -1.518 -1.797 1.00 0.00 C ATOM 957 NE2 HIS A 59 115.754 -1.138 -1.612 1.00 0.00 N ATOM 0 H HIS A 59 114.500 -4.156 0.824 1.00 0.00 H new ATOM 0 HA HIS A 59 117.397 -4.853 0.970 1.00 0.00 H new ATOM 0 HB2 HIS A 59 115.969 -2.484 2.269 1.00 0.00 H new ATOM 0 HB3 HIS A 59 117.683 -2.644 1.941 1.00 0.00 H new ATOM 0 HD2 HIS A 59 114.458 -1.464 0.133 1.00 0.00 H new ATOM 0 HE1 HIS A 59 117.590 -1.317 -2.693 1.00 0.00 H new ATOM 0 HE2 HIS A 59 115.160 -0.623 -2.262 1.00 0.00 H new ATOM 965 N ASN A 60 117.348 -4.697 3.712 1.00 0.00 N ATOM 966 CA ASN A 60 117.282 -5.168 5.125 1.00 0.00 C ATOM 967 C ASN A 60 117.522 -3.968 6.043 1.00 0.00 C ATOM 968 O ASN A 60 118.478 -3.236 5.879 1.00 0.00 O ATOM 969 CB ASN A 60 118.365 -6.218 5.393 1.00 0.00 C ATOM 970 CG ASN A 60 118.614 -7.054 4.138 1.00 0.00 C ATOM 971 OD1 ASN A 60 118.802 -6.519 3.064 1.00 0.00 O ATOM 972 ND2 ASN A 60 118.632 -8.356 4.235 1.00 0.00 N ATOM 0 H ASN A 60 118.188 -4.170 3.475 1.00 0.00 H new ATOM 0 HA ASN A 60 116.305 -5.614 5.311 1.00 0.00 H new ATOM 0 HB2 ASN A 60 119.288 -5.728 5.701 1.00 0.00 H new ATOM 0 HB3 ASN A 60 118.058 -6.865 6.215 1.00 0.00 H new ATOM 0 HD21 ASN A 60 118.804 -8.927 3.407 1.00 0.00 H new ATOM 0 HD22 ASN A 60 118.474 -8.802 5.138 1.00 0.00 H new ATOM 979 N SER A 61 116.666 -3.753 7.003 1.00 0.00 N ATOM 980 CA SER A 61 116.861 -2.593 7.916 1.00 0.00 C ATOM 981 C SER A 61 117.621 -3.041 9.166 1.00 0.00 C ATOM 982 O SER A 61 118.835 -3.066 9.188 1.00 0.00 O ATOM 983 CB SER A 61 115.499 -2.022 8.313 1.00 0.00 C ATOM 984 OG SER A 61 114.498 -3.008 8.101 1.00 0.00 O ATOM 0 H SER A 61 115.845 -4.327 7.194 1.00 0.00 H new ATOM 0 HA SER A 61 117.439 -1.823 7.405 1.00 0.00 H new ATOM 0 HB2 SER A 61 115.510 -1.718 9.360 1.00 0.00 H new ATOM 0 HB3 SER A 61 115.279 -1.131 7.724 1.00 0.00 H new ATOM 0 HG SER A 61 114.755 -3.838 8.555 1.00 0.00 H new ATOM 990 N TYR A 62 116.920 -3.394 10.207 1.00 0.00 N ATOM 991 CA TYR A 62 117.612 -3.838 11.453 1.00 0.00 C ATOM 992 C TYR A 62 116.755 -4.888 12.159 1.00 0.00 C ATOM 993 O TYR A 62 117.256 -5.863 12.683 1.00 0.00 O ATOM 994 CB TYR A 62 117.833 -2.647 12.401 1.00 0.00 C ATOM 995 CG TYR A 62 117.330 -1.365 11.775 1.00 0.00 C ATOM 996 CD1 TYR A 62 118.065 -0.745 10.757 1.00 0.00 C ATOM 997 CD2 TYR A 62 116.129 -0.795 12.215 1.00 0.00 C ATOM 998 CE1 TYR A 62 117.600 0.440 10.180 1.00 0.00 C ATOM 999 CE2 TYR A 62 115.665 0.390 11.638 1.00 0.00 C ATOM 1000 CZ TYR A 62 116.400 1.009 10.621 1.00 0.00 C ATOM 1001 OH TYR A 62 115.941 2.180 10.052 1.00 0.00 O ATOM 0 H TYR A 62 115.901 -3.395 10.251 1.00 0.00 H new ATOM 0 HA TYR A 62 118.580 -4.261 11.185 1.00 0.00 H new ATOM 0 HB2 TYR A 62 117.315 -2.825 13.343 1.00 0.00 H new ATOM 0 HB3 TYR A 62 118.894 -2.552 12.633 1.00 0.00 H new ATOM 0 HD1 TYR A 62 118.992 -1.183 10.417 1.00 0.00 H new ATOM 0 HD2 TYR A 62 115.561 -1.271 13.001 1.00 0.00 H new ATOM 0 HE1 TYR A 62 118.167 0.917 9.394 1.00 0.00 H new ATOM 0 HE2 TYR A 62 114.738 0.829 11.977 1.00 0.00 H new ATOM 0 HH TYR A 62 116.021 2.123 9.077 1.00 0.00 H new ATOM 1011 N ASN A 63 115.465 -4.698 12.178 1.00 0.00 N ATOM 1012 CA ASN A 63 114.577 -5.684 12.851 1.00 0.00 C ATOM 1013 C ASN A 63 113.766 -6.441 11.798 1.00 0.00 C ATOM 1014 O ASN A 63 113.364 -7.569 12.005 1.00 0.00 O ATOM 1015 CB ASN A 63 113.622 -4.952 13.798 1.00 0.00 C ATOM 1016 CG ASN A 63 114.411 -3.976 14.674 1.00 0.00 C ATOM 1017 OD1 ASN A 63 115.517 -3.596 14.340 1.00 0.00 O ATOM 1018 ND2 ASN A 63 113.886 -3.552 15.790 1.00 0.00 N ATOM 0 H ASN A 63 114.988 -3.901 11.756 1.00 0.00 H new ATOM 0 HA ASN A 63 115.184 -6.388 13.420 1.00 0.00 H new ATOM 0 HB2 ASN A 63 112.868 -4.413 13.224 1.00 0.00 H new ATOM 0 HB3 ASN A 63 113.093 -5.671 14.424 1.00 0.00 H new ATOM 0 HD21 ASN A 63 114.403 -2.902 16.382 1.00 0.00 H new ATOM 0 HD22 ASN A 63 112.958 -3.870 16.071 1.00 0.00 H new ATOM 1025 N HIS A 64 113.517 -5.829 10.673 1.00 0.00 N ATOM 1026 CA HIS A 64 112.727 -6.518 9.615 1.00 0.00 C ATOM 1027 C HIS A 64 113.249 -6.119 8.233 1.00 0.00 C ATOM 1028 O HIS A 64 114.324 -5.568 8.100 1.00 0.00 O ATOM 1029 CB HIS A 64 111.255 -6.130 9.756 1.00 0.00 C ATOM 1030 CG HIS A 64 110.745 -6.638 11.076 1.00 0.00 C ATOM 1031 ND1 HIS A 64 110.054 -5.832 11.965 1.00 0.00 N ATOM 1032 CD2 HIS A 64 110.834 -7.869 11.677 1.00 0.00 C ATOM 1033 CE1 HIS A 64 109.756 -6.580 13.045 1.00 0.00 C ATOM 1034 NE2 HIS A 64 110.209 -7.830 12.920 1.00 0.00 N ATOM 0 H HIS A 64 113.825 -4.885 10.441 1.00 0.00 H new ATOM 0 HA HIS A 64 112.828 -7.598 9.726 1.00 0.00 H new ATOM 0 HB2 HIS A 64 111.143 -5.047 9.699 1.00 0.00 H new ATOM 0 HB3 HIS A 64 110.673 -6.554 8.938 1.00 0.00 H new ATOM 0 HD2 HIS A 64 111.316 -8.736 11.250 1.00 0.00 H new ATOM 0 HE1 HIS A 64 109.217 -6.214 13.906 1.00 0.00 H new ATOM 0 HE2 HIS A 64 110.117 -8.592 13.591 1.00 0.00 H new ATOM 1042 N ASN A 65 112.506 -6.410 7.201 1.00 0.00 N ATOM 1043 CA ASN A 65 112.972 -6.067 5.828 1.00 0.00 C ATOM 1044 C ASN A 65 112.267 -4.801 5.329 1.00 0.00 C ATOM 1045 O ASN A 65 111.127 -4.537 5.660 1.00 0.00 O ATOM 1046 CB ASN A 65 112.657 -7.231 4.887 1.00 0.00 C ATOM 1047 CG ASN A 65 113.938 -8.016 4.601 1.00 0.00 C ATOM 1048 OD1 ASN A 65 114.016 -8.744 3.521 1.00 0.00 O flip ATOM 1049 ND2 ASN A 65 114.879 -7.969 5.371 1.00 0.00 N flip ATOM 0 H ASN A 65 111.597 -6.870 7.249 1.00 0.00 H new ATOM 0 HA ASN A 65 114.047 -5.886 5.849 1.00 0.00 H new ATOM 0 HB2 ASN A 65 111.910 -7.885 5.337 1.00 0.00 H new ATOM 0 HB3 ASN A 65 112.232 -6.855 3.956 1.00 0.00 H new ATOM 0 HD21 ASN A 65 114.819 -7.400 6.216 1.00 0.00 H new ATOM 0 HD22 ASN A 65 115.728 -8.498 5.172 1.00 0.00 H new ATOM 1056 N ILE A 66 112.942 -4.021 4.525 1.00 0.00 N ATOM 1057 CA ILE A 66 112.324 -2.774 3.991 1.00 0.00 C ATOM 1058 C ILE A 66 112.047 -2.956 2.498 1.00 0.00 C ATOM 1059 O ILE A 66 112.930 -2.825 1.673 1.00 0.00 O ATOM 1060 CB ILE A 66 113.287 -1.603 4.190 1.00 0.00 C ATOM 1061 CG1 ILE A 66 113.744 -1.567 5.653 1.00 0.00 C ATOM 1062 CG2 ILE A 66 112.585 -0.288 3.828 1.00 0.00 C ATOM 1063 CD1 ILE A 66 112.654 -0.948 6.530 1.00 0.00 C ATOM 0 H ILE A 66 113.898 -4.196 4.215 1.00 0.00 H new ATOM 0 HA ILE A 66 111.392 -2.569 4.518 1.00 0.00 H new ATOM 0 HB ILE A 66 114.155 -1.729 3.543 1.00 0.00 H new ATOM 0 HG12 ILE A 66 113.968 -2.577 5.997 1.00 0.00 H new ATOM 0 HG13 ILE A 66 114.664 -0.989 5.741 1.00 0.00 H new ATOM 0 HG21 ILE A 66 113.275 0.544 3.971 1.00 0.00 H new ATOM 0 HG22 ILE A 66 112.267 -0.320 2.786 1.00 0.00 H new ATOM 0 HG23 ILE A 66 111.714 -0.152 4.469 1.00 0.00 H new ATOM 0 HD11 ILE A 66 112.989 -0.927 7.567 1.00 0.00 H new ATOM 0 HD12 ILE A 66 112.451 0.069 6.194 1.00 0.00 H new ATOM 0 HD13 ILE A 66 111.744 -1.544 6.455 1.00 0.00 H new ATOM 1075 N LEU A 67 110.832 -3.265 2.146 1.00 0.00 N ATOM 1076 CA LEU A 67 110.501 -3.464 0.708 1.00 0.00 C ATOM 1077 C LEU A 67 110.317 -2.103 0.034 1.00 0.00 C ATOM 1078 O LEU A 67 109.884 -1.144 0.638 1.00 0.00 O ATOM 1079 CB LEU A 67 109.214 -4.307 0.603 1.00 0.00 C ATOM 1080 CG LEU A 67 108.404 -3.924 -0.643 1.00 0.00 C ATOM 1081 CD1 LEU A 67 109.202 -4.257 -1.903 1.00 0.00 C ATOM 1082 CD2 LEU A 67 107.091 -4.708 -0.660 1.00 0.00 C ATOM 0 H LEU A 67 110.052 -3.389 2.792 1.00 0.00 H new ATOM 0 HA LEU A 67 111.311 -3.991 0.203 1.00 0.00 H new ATOM 0 HB2 LEU A 67 109.471 -5.365 0.563 1.00 0.00 H new ATOM 0 HB3 LEU A 67 108.606 -4.161 1.495 1.00 0.00 H new ATOM 0 HG LEU A 67 108.195 -2.855 -0.617 1.00 0.00 H new ATOM 0 HD11 LEU A 67 108.622 -3.983 -2.784 1.00 0.00 H new ATOM 0 HD12 LEU A 67 110.139 -3.700 -1.898 1.00 0.00 H new ATOM 0 HD13 LEU A 67 109.415 -5.326 -1.927 1.00 0.00 H new ATOM 0 HD21 LEU A 67 106.516 -4.436 -1.545 1.00 0.00 H new ATOM 0 HD22 LEU A 67 107.305 -5.776 -0.681 1.00 0.00 H new ATOM 0 HD23 LEU A 67 106.514 -4.471 0.234 1.00 0.00 H new ATOM 1094 N PHE A 68 110.652 -2.031 -1.220 1.00 0.00 N ATOM 1095 CA PHE A 68 110.517 -0.760 -1.976 1.00 0.00 C ATOM 1096 C PHE A 68 109.782 -1.060 -3.280 1.00 0.00 C ATOM 1097 O PHE A 68 110.159 -1.959 -3.995 1.00 0.00 O ATOM 1098 CB PHE A 68 111.917 -0.239 -2.299 1.00 0.00 C ATOM 1099 CG PHE A 68 111.979 1.242 -2.050 1.00 0.00 C ATOM 1100 CD1 PHE A 68 111.588 1.759 -0.814 1.00 0.00 C ATOM 1101 CD2 PHE A 68 112.432 2.098 -3.059 1.00 0.00 C ATOM 1102 CE1 PHE A 68 111.647 3.134 -0.583 1.00 0.00 C ATOM 1103 CE2 PHE A 68 112.494 3.472 -2.832 1.00 0.00 C ATOM 1104 CZ PHE A 68 112.101 3.994 -1.592 1.00 0.00 C ATOM 0 H PHE A 68 111.020 -2.813 -1.762 1.00 0.00 H new ATOM 0 HA PHE A 68 109.969 -0.018 -1.396 1.00 0.00 H new ATOM 0 HB2 PHE A 68 112.657 -0.752 -1.684 1.00 0.00 H new ATOM 0 HB3 PHE A 68 112.164 -0.453 -3.339 1.00 0.00 H new ATOM 0 HD1 PHE A 68 111.240 1.095 -0.037 1.00 0.00 H new ATOM 0 HD2 PHE A 68 112.734 1.694 -4.014 1.00 0.00 H new ATOM 0 HE1 PHE A 68 111.343 3.535 0.373 1.00 0.00 H new ATOM 0 HE2 PHE A 68 112.844 4.133 -3.611 1.00 0.00 H new ATOM 0 HZ PHE A 68 112.148 5.058 -1.414 1.00 0.00 H new ATOM 1114 N PHE A 69 108.744 -0.338 -3.613 1.00 0.00 N ATOM 1115 CA PHE A 69 108.049 -0.654 -4.894 1.00 0.00 C ATOM 1116 C PHE A 69 107.422 0.598 -5.508 1.00 0.00 C ATOM 1117 O PHE A 69 106.748 1.373 -4.853 1.00 0.00 O ATOM 1118 CB PHE A 69 106.980 -1.733 -4.669 1.00 0.00 C ATOM 1119 CG PHE A 69 105.788 -1.173 -3.924 1.00 0.00 C ATOM 1120 CD1 PHE A 69 105.928 -0.733 -2.604 1.00 0.00 C ATOM 1121 CD2 PHE A 69 104.535 -1.116 -4.551 1.00 0.00 C ATOM 1122 CE1 PHE A 69 104.817 -0.236 -1.912 1.00 0.00 C ATOM 1123 CE2 PHE A 69 103.427 -0.620 -3.859 1.00 0.00 C ATOM 1124 CZ PHE A 69 103.565 -0.181 -2.540 1.00 0.00 C ATOM 0 H PHE A 69 108.357 0.435 -3.071 1.00 0.00 H new ATOM 0 HA PHE A 69 108.792 -1.035 -5.595 1.00 0.00 H new ATOM 0 HB2 PHE A 69 106.657 -2.134 -5.629 1.00 0.00 H new ATOM 0 HB3 PHE A 69 107.408 -2.562 -4.105 1.00 0.00 H new ATOM 0 HD1 PHE A 69 106.892 -0.777 -2.119 1.00 0.00 H new ATOM 0 HD2 PHE A 69 104.426 -1.456 -5.570 1.00 0.00 H new ATOM 0 HE1 PHE A 69 104.925 0.105 -0.893 1.00 0.00 H new ATOM 0 HE2 PHE A 69 102.463 -0.576 -4.344 1.00 0.00 H new ATOM 0 HZ PHE A 69 102.708 0.200 -2.005 1.00 0.00 H new ATOM 1134 N LEU A 70 107.647 0.783 -6.782 1.00 0.00 N ATOM 1135 CA LEU A 70 107.081 1.958 -7.499 1.00 0.00 C ATOM 1136 C LEU A 70 105.815 1.520 -8.231 1.00 0.00 C ATOM 1137 O LEU A 70 105.429 0.369 -8.182 1.00 0.00 O ATOM 1138 CB LEU A 70 108.104 2.459 -8.523 1.00 0.00 C ATOM 1139 CG LEU A 70 108.474 3.912 -8.230 1.00 0.00 C ATOM 1140 CD1 LEU A 70 109.538 3.959 -7.130 1.00 0.00 C ATOM 1141 CD2 LEU A 70 109.026 4.553 -9.506 1.00 0.00 C ATOM 0 H LEU A 70 108.208 0.159 -7.362 1.00 0.00 H new ATOM 0 HA LEU A 70 106.849 2.754 -6.791 1.00 0.00 H new ATOM 0 HB2 LEU A 70 108.997 1.835 -8.491 1.00 0.00 H new ATOM 0 HB3 LEU A 70 107.693 2.376 -9.529 1.00 0.00 H new ATOM 0 HG LEU A 70 107.591 4.457 -7.897 1.00 0.00 H new ATOM 0 HD11 LEU A 70 109.801 4.996 -6.922 1.00 0.00 H new ATOM 0 HD12 LEU A 70 109.146 3.496 -6.225 1.00 0.00 H new ATOM 0 HD13 LEU A 70 110.426 3.419 -7.459 1.00 0.00 H new ATOM 0 HD21 LEU A 70 109.293 5.591 -9.306 1.00 0.00 H new ATOM 0 HD22 LEU A 70 109.911 4.008 -9.834 1.00 0.00 H new ATOM 0 HD23 LEU A 70 108.268 4.518 -10.288 1.00 0.00 H new ATOM 1153 N THR A 71 105.162 2.418 -8.914 1.00 0.00 N ATOM 1154 CA THR A 71 103.927 2.027 -9.642 1.00 0.00 C ATOM 1155 C THR A 71 103.662 3.014 -10.789 1.00 0.00 C ATOM 1156 O THR A 71 104.017 4.173 -10.702 1.00 0.00 O ATOM 1157 CB THR A 71 102.756 2.031 -8.665 1.00 0.00 C ATOM 1158 OG1 THR A 71 102.793 3.227 -7.899 1.00 0.00 O ATOM 1159 CG2 THR A 71 102.862 0.821 -7.733 1.00 0.00 C ATOM 0 H THR A 71 105.429 3.399 -8.999 1.00 0.00 H new ATOM 0 HA THR A 71 104.047 1.029 -10.064 1.00 0.00 H new ATOM 0 HB THR A 71 101.817 1.978 -9.217 1.00 0.00 H new ATOM 0 HG1 THR A 71 101.908 3.647 -7.905 1.00 0.00 H new ATOM 0 HG21 THR A 71 102.025 0.825 -7.035 1.00 0.00 H new ATOM 0 HG22 THR A 71 102.839 -0.096 -8.323 1.00 0.00 H new ATOM 0 HG23 THR A 71 103.798 0.871 -7.177 1.00 0.00 H new ATOM 1167 N PRO A 72 103.053 2.511 -11.836 1.00 0.00 N ATOM 1168 CA PRO A 72 102.727 3.307 -13.034 1.00 0.00 C ATOM 1169 C PRO A 72 101.497 4.189 -12.797 1.00 0.00 C ATOM 1170 O PRO A 72 101.613 5.336 -12.412 1.00 0.00 O ATOM 1171 CB PRO A 72 102.434 2.248 -14.100 1.00 0.00 C ATOM 1172 CG PRO A 72 102.055 0.958 -13.338 1.00 0.00 C ATOM 1173 CD PRO A 72 102.633 1.100 -11.919 1.00 0.00 C ATOM 0 HA PRO A 72 103.530 3.988 -13.315 1.00 0.00 H new ATOM 0 HB2 PRO A 72 101.621 2.567 -14.752 1.00 0.00 H new ATOM 0 HB3 PRO A 72 103.305 2.083 -14.734 1.00 0.00 H new ATOM 0 HG2 PRO A 72 100.973 0.831 -13.305 1.00 0.00 H new ATOM 0 HG3 PRO A 72 102.464 0.079 -13.837 1.00 0.00 H new ATOM 0 HD2 PRO A 72 101.888 0.862 -11.160 1.00 0.00 H new ATOM 0 HD3 PRO A 72 103.474 0.425 -11.763 1.00 0.00 H new ATOM 1181 N HIS A 73 100.319 3.672 -13.037 1.00 0.00 N ATOM 1182 CA HIS A 73 99.098 4.501 -12.835 1.00 0.00 C ATOM 1183 C HIS A 73 99.159 5.165 -11.458 1.00 0.00 C ATOM 1184 O HIS A 73 100.083 4.949 -10.700 1.00 0.00 O ATOM 1185 CB HIS A 73 97.837 3.629 -12.989 1.00 0.00 C ATOM 1186 CG HIS A 73 97.488 2.910 -11.709 1.00 0.00 C ATOM 1187 ND1 HIS A 73 98.312 1.951 -11.137 1.00 0.00 N ATOM 1188 CD2 HIS A 73 96.367 2.958 -10.917 1.00 0.00 C ATOM 1189 CE1 HIS A 73 97.674 1.464 -10.050 1.00 0.00 C ATOM 1190 NE2 HIS A 73 96.486 2.044 -9.873 1.00 0.00 N ATOM 0 H HIS A 73 100.153 2.719 -13.361 1.00 0.00 H new ATOM 0 HA HIS A 73 99.051 5.285 -13.591 1.00 0.00 H new ATOM 0 HB2 HIS A 73 96.998 4.255 -13.294 1.00 0.00 H new ATOM 0 HB3 HIS A 73 97.995 2.899 -13.783 1.00 0.00 H new ATOM 0 HD2 HIS A 73 95.520 3.608 -11.080 1.00 0.00 H new ATOM 0 HE1 HIS A 73 98.077 0.698 -9.403 1.00 0.00 H new ATOM 0 HE2 HIS A 73 95.810 1.858 -9.132 1.00 0.00 H new ATOM 1198 N ARG A 74 98.213 6.001 -11.137 1.00 0.00 N ATOM 1199 CA ARG A 74 98.258 6.695 -9.817 1.00 0.00 C ATOM 1200 C ARG A 74 97.299 6.027 -8.837 1.00 0.00 C ATOM 1201 O ARG A 74 96.273 5.496 -9.214 1.00 0.00 O ATOM 1202 CB ARG A 74 97.864 8.161 -9.999 1.00 0.00 C ATOM 1203 CG ARG A 74 98.428 8.680 -11.323 1.00 0.00 C ATOM 1204 CD ARG A 74 98.819 10.150 -11.167 1.00 0.00 C ATOM 1205 NE ARG A 74 99.244 10.692 -12.487 1.00 0.00 N ATOM 1206 CZ ARG A 74 100.494 11.011 -12.690 1.00 0.00 C ATOM 1207 NH1 ARG A 74 101.111 11.794 -11.849 1.00 0.00 N ATOM 1208 NH2 ARG A 74 101.125 10.543 -13.732 1.00 0.00 N ATOM 0 H ARG A 74 97.414 6.234 -11.726 1.00 0.00 H new ATOM 0 HA ARG A 74 99.270 6.633 -9.418 1.00 0.00 H new ATOM 0 HB2 ARG A 74 96.779 8.261 -9.990 1.00 0.00 H new ATOM 0 HB3 ARG A 74 98.246 8.757 -9.170 1.00 0.00 H new ATOM 0 HG2 ARG A 74 99.296 8.091 -11.617 1.00 0.00 H new ATOM 0 HG3 ARG A 74 97.686 8.572 -12.114 1.00 0.00 H new ATOM 0 HD2 ARG A 74 97.976 10.723 -10.781 1.00 0.00 H new ATOM 0 HD3 ARG A 74 99.629 10.248 -10.444 1.00 0.00 H new ATOM 0 HE ARG A 74 98.559 10.814 -13.233 1.00 0.00 H new ATOM 0 HH11 ARG A 74 100.617 12.157 -11.033 1.00 0.00 H new ATOM 0 HH12 ARG A 74 102.087 12.044 -12.007 1.00 0.00 H new ATOM 0 HH21 ARG A 74 100.642 9.928 -14.387 1.00 0.00 H new ATOM 0 HH22 ARG A 74 102.101 10.792 -13.891 1.00 0.00 H new ATOM 1222 N HIS A 75 97.631 6.049 -7.576 1.00 0.00 N ATOM 1223 CA HIS A 75 96.748 5.415 -6.559 1.00 0.00 C ATOM 1224 C HIS A 75 96.847 6.192 -5.250 1.00 0.00 C ATOM 1225 O HIS A 75 97.918 6.580 -4.827 1.00 0.00 O ATOM 1226 CB HIS A 75 97.182 3.967 -6.291 1.00 0.00 C ATOM 1227 CG HIS A 75 98.378 3.603 -7.126 1.00 0.00 C ATOM 1228 ND1 HIS A 75 98.335 3.544 -8.507 1.00 0.00 N ATOM 1229 CD2 HIS A 75 99.659 3.266 -6.778 1.00 0.00 C ATOM 1230 CE1 HIS A 75 99.557 3.179 -8.934 1.00 0.00 C ATOM 1231 NE2 HIS A 75 100.400 2.998 -7.920 1.00 0.00 N ATOM 0 H HIS A 75 98.478 6.480 -7.206 1.00 0.00 H new ATOM 0 HA HIS A 75 95.726 5.424 -6.939 1.00 0.00 H new ATOM 0 HB2 HIS A 75 97.420 3.844 -5.234 1.00 0.00 H new ATOM 0 HB3 HIS A 75 96.358 3.289 -6.513 1.00 0.00 H new ATOM 0 HD1 HIS A 75 97.525 3.741 -9.094 1.00 0.00 H new ATOM 0 HD2 HIS A 75 100.036 3.216 -5.767 1.00 0.00 H new ATOM 0 HE1 HIS A 75 99.822 3.049 -9.973 1.00 0.00 H new ATOM 1239 N ARG A 76 95.745 6.404 -4.591 1.00 0.00 N ATOM 1240 CA ARG A 76 95.795 7.131 -3.296 1.00 0.00 C ATOM 1241 C ARG A 76 96.463 6.221 -2.267 1.00 0.00 C ATOM 1242 O ARG A 76 96.273 5.022 -2.278 1.00 0.00 O ATOM 1243 CB ARG A 76 94.373 7.470 -2.839 1.00 0.00 C ATOM 1244 CG ARG A 76 94.424 8.575 -1.783 1.00 0.00 C ATOM 1245 CD ARG A 76 93.223 9.507 -1.959 1.00 0.00 C ATOM 1246 NE ARG A 76 91.968 8.767 -1.646 1.00 0.00 N ATOM 1247 CZ ARG A 76 91.206 8.332 -2.613 1.00 0.00 C ATOM 1248 NH1 ARG A 76 90.984 9.085 -3.656 1.00 0.00 N ATOM 1249 NH2 ARG A 76 90.666 7.148 -2.537 1.00 0.00 N ATOM 0 H ARG A 76 94.816 6.107 -4.891 1.00 0.00 H new ATOM 0 HA ARG A 76 96.358 8.058 -3.404 1.00 0.00 H new ATOM 0 HB2 ARG A 76 93.774 7.794 -3.690 1.00 0.00 H new ATOM 0 HB3 ARG A 76 93.891 6.583 -2.429 1.00 0.00 H new ATOM 0 HG2 ARG A 76 94.415 8.139 -0.784 1.00 0.00 H new ATOM 0 HG3 ARG A 76 95.352 9.139 -1.876 1.00 0.00 H new ATOM 0 HD2 ARG A 76 93.321 10.372 -1.302 1.00 0.00 H new ATOM 0 HD3 ARG A 76 93.189 9.885 -2.981 1.00 0.00 H new ATOM 0 HE ARG A 76 91.704 8.600 -0.675 1.00 0.00 H new ATOM 0 HH11 ARG A 76 91.406 10.012 -3.715 1.00 0.00 H new ATOM 0 HH12 ARG A 76 90.389 8.746 -4.412 1.00 0.00 H new ATOM 0 HH21 ARG A 76 90.839 6.560 -1.721 1.00 0.00 H new ATOM 0 HH22 ARG A 76 90.071 6.809 -3.293 1.00 0.00 H new ATOM 1263 N VAL A 77 97.249 6.765 -1.383 1.00 0.00 N ATOM 1264 CA VAL A 77 97.919 5.903 -0.372 1.00 0.00 C ATOM 1265 C VAL A 77 96.862 5.066 0.356 1.00 0.00 C ATOM 1266 O VAL A 77 97.168 4.065 0.969 1.00 0.00 O ATOM 1267 CB VAL A 77 98.703 6.781 0.613 1.00 0.00 C ATOM 1268 CG1 VAL A 77 98.851 6.073 1.964 1.00 0.00 C ATOM 1269 CG2 VAL A 77 100.094 7.044 0.030 1.00 0.00 C ATOM 0 H VAL A 77 97.456 7.762 -1.316 1.00 0.00 H new ATOM 0 HA VAL A 77 98.621 5.228 -0.860 1.00 0.00 H new ATOM 0 HB VAL A 77 98.166 7.717 0.766 1.00 0.00 H new ATOM 0 HG11 VAL A 77 99.409 6.710 2.650 1.00 0.00 H new ATOM 0 HG12 VAL A 77 97.864 5.871 2.379 1.00 0.00 H new ATOM 0 HG13 VAL A 77 99.385 5.133 1.826 1.00 0.00 H new ATOM 0 HG21 VAL A 77 100.665 7.667 0.718 1.00 0.00 H new ATOM 0 HG22 VAL A 77 100.612 6.096 -0.117 1.00 0.00 H new ATOM 0 HG23 VAL A 77 99.996 7.556 -0.927 1.00 0.00 H new ATOM 1279 N SER A 78 95.618 5.457 0.278 1.00 0.00 N ATOM 1280 CA SER A 78 94.551 4.664 0.949 1.00 0.00 C ATOM 1281 C SER A 78 94.260 3.423 0.102 1.00 0.00 C ATOM 1282 O SER A 78 94.083 2.336 0.614 1.00 0.00 O ATOM 1283 CB SER A 78 93.284 5.511 1.073 1.00 0.00 C ATOM 1284 OG SER A 78 93.617 6.881 0.900 1.00 0.00 O ATOM 0 H SER A 78 95.297 6.288 -0.219 1.00 0.00 H new ATOM 0 HA SER A 78 94.877 4.366 1.946 1.00 0.00 H new ATOM 0 HB2 SER A 78 92.553 5.205 0.324 1.00 0.00 H new ATOM 0 HB3 SER A 78 92.824 5.357 2.049 1.00 0.00 H new ATOM 0 HG SER A 78 94.189 7.175 1.640 1.00 0.00 H new ATOM 1290 N ALA A 79 94.221 3.579 -1.196 1.00 0.00 N ATOM 1291 CA ALA A 79 93.955 2.412 -2.084 1.00 0.00 C ATOM 1292 C ALA A 79 95.120 1.428 -1.972 1.00 0.00 C ATOM 1293 O ALA A 79 94.936 0.263 -1.676 1.00 0.00 O ATOM 1294 CB ALA A 79 93.822 2.889 -3.531 1.00 0.00 C ATOM 0 H ALA A 79 94.362 4.466 -1.679 1.00 0.00 H new ATOM 0 HA ALA A 79 93.029 1.922 -1.783 1.00 0.00 H new ATOM 0 HB1 ALA A 79 93.628 2.035 -4.179 1.00 0.00 H new ATOM 0 HB2 ALA A 79 92.997 3.597 -3.606 1.00 0.00 H new ATOM 0 HB3 ALA A 79 94.747 3.376 -3.840 1.00 0.00 H new ATOM 1300 N ILE A 80 96.323 1.889 -2.191 1.00 0.00 N ATOM 1301 CA ILE A 80 97.498 0.982 -2.075 1.00 0.00 C ATOM 1302 C ILE A 80 97.539 0.438 -0.649 1.00 0.00 C ATOM 1303 O ILE A 80 97.835 -0.718 -0.419 1.00 0.00 O ATOM 1304 CB ILE A 80 98.783 1.766 -2.356 1.00 0.00 C ATOM 1305 CG1 ILE A 80 98.874 2.089 -3.855 1.00 0.00 C ATOM 1306 CG2 ILE A 80 99.994 0.933 -1.925 1.00 0.00 C ATOM 1307 CD1 ILE A 80 99.424 0.882 -4.624 1.00 0.00 C ATOM 0 H ILE A 80 96.541 2.853 -2.445 1.00 0.00 H new ATOM 0 HA ILE A 80 97.416 0.166 -2.793 1.00 0.00 H new ATOM 0 HB ILE A 80 98.771 2.699 -1.792 1.00 0.00 H new ATOM 0 HG12 ILE A 80 97.889 2.355 -4.238 1.00 0.00 H new ATOM 0 HG13 ILE A 80 99.520 2.953 -4.010 1.00 0.00 H new ATOM 0 HG21 ILE A 80 100.909 1.491 -2.125 1.00 0.00 H new ATOM 0 HG22 ILE A 80 99.926 0.717 -0.859 1.00 0.00 H new ATOM 0 HG23 ILE A 80 100.010 -0.002 -2.484 1.00 0.00 H new ATOM 0 HD11 ILE A 80 99.484 1.123 -5.685 1.00 0.00 H new ATOM 0 HD12 ILE A 80 100.418 0.635 -4.251 1.00 0.00 H new ATOM 0 HD13 ILE A 80 98.762 0.028 -4.483 1.00 0.00 H new ATOM 1319 N ASN A 81 97.228 1.268 0.309 1.00 0.00 N ATOM 1320 CA ASN A 81 97.229 0.810 1.723 1.00 0.00 C ATOM 1321 C ASN A 81 96.197 -0.303 1.873 1.00 0.00 C ATOM 1322 O ASN A 81 96.328 -1.181 2.701 1.00 0.00 O ATOM 1323 CB ASN A 81 96.856 1.975 2.641 1.00 0.00 C ATOM 1324 CG ASN A 81 96.639 1.454 4.063 1.00 0.00 C ATOM 1325 OD1 ASN A 81 95.507 0.880 4.369 1.00 0.00 O flip ATOM 1326 ND2 ASN A 81 97.506 1.570 4.904 1.00 0.00 N flip ATOM 0 H ASN A 81 96.973 2.246 0.171 1.00 0.00 H new ATOM 0 HA ASN A 81 98.219 0.444 1.995 1.00 0.00 H new ATOM 0 HB2 ASN A 81 97.647 2.725 2.634 1.00 0.00 H new ATOM 0 HB3 ASN A 81 95.951 2.462 2.279 1.00 0.00 H new ATOM 0 HD21 ASN A 81 98.391 2.018 4.666 1.00 0.00 H new ATOM 0 HD22 ASN A 81 97.350 1.219 5.849 1.00 0.00 H new ATOM 1333 N ASN A 82 95.171 -0.276 1.067 1.00 0.00 N ATOM 1334 CA ASN A 82 94.133 -1.337 1.149 1.00 0.00 C ATOM 1335 C ASN A 82 94.768 -2.677 0.788 1.00 0.00 C ATOM 1336 O ASN A 82 94.501 -3.690 1.406 1.00 0.00 O ATOM 1337 CB ASN A 82 93.002 -1.025 0.166 1.00 0.00 C ATOM 1338 CG ASN A 82 91.722 -0.717 0.944 1.00 0.00 C ATOM 1339 OD1 ASN A 82 91.341 -1.458 1.827 1.00 0.00 O ATOM 1340 ND2 ASN A 82 91.037 0.353 0.649 1.00 0.00 N ATOM 0 H ASN A 82 95.008 0.436 0.355 1.00 0.00 H new ATOM 0 HA ASN A 82 93.727 -1.380 2.160 1.00 0.00 H new ATOM 0 HB2 ASN A 82 93.274 -0.175 -0.460 1.00 0.00 H new ATOM 0 HB3 ASN A 82 92.841 -1.872 -0.500 1.00 0.00 H new ATOM 0 HD21 ASN A 82 90.181 0.568 1.160 1.00 0.00 H new ATOM 0 HD22 ASN A 82 91.357 0.975 -0.093 1.00 0.00 H new ATOM 1347 N TYR A 83 95.618 -2.693 -0.205 1.00 0.00 N ATOM 1348 CA TYR A 83 96.276 -3.972 -0.593 1.00 0.00 C ATOM 1349 C TYR A 83 97.283 -4.359 0.489 1.00 0.00 C ATOM 1350 O TYR A 83 97.102 -5.328 1.200 1.00 0.00 O ATOM 1351 CB TYR A 83 96.999 -3.800 -1.929 1.00 0.00 C ATOM 1352 CG TYR A 83 97.703 -5.089 -2.277 1.00 0.00 C ATOM 1353 CD1 TYR A 83 97.025 -6.309 -2.161 1.00 0.00 C ATOM 1354 CD2 TYR A 83 99.035 -5.069 -2.709 1.00 0.00 C ATOM 1355 CE1 TYR A 83 97.674 -7.504 -2.476 1.00 0.00 C ATOM 1356 CE2 TYR A 83 99.685 -6.267 -3.022 1.00 0.00 C ATOM 1357 CZ TYR A 83 99.005 -7.485 -2.906 1.00 0.00 C ATOM 1358 OH TYR A 83 99.646 -8.667 -3.213 1.00 0.00 O ATOM 0 H TYR A 83 95.883 -1.880 -0.761 1.00 0.00 H new ATOM 0 HA TYR A 83 95.524 -4.754 -0.696 1.00 0.00 H new ATOM 0 HB2 TYR A 83 96.287 -3.537 -2.711 1.00 0.00 H new ATOM 0 HB3 TYR A 83 97.718 -2.984 -1.865 1.00 0.00 H new ATOM 0 HD1 TYR A 83 95.998 -6.325 -1.827 1.00 0.00 H new ATOM 0 HD2 TYR A 83 99.560 -4.129 -2.800 1.00 0.00 H new ATOM 0 HE1 TYR A 83 97.148 -8.443 -2.388 1.00 0.00 H new ATOM 0 HE2 TYR A 83 100.713 -6.252 -3.354 1.00 0.00 H new ATOM 0 HH TYR A 83 100.428 -8.775 -2.633 1.00 0.00 H new ATOM 1368 N ALA A 84 98.341 -3.605 0.631 1.00 0.00 N ATOM 1369 CA ALA A 84 99.346 -3.931 1.679 1.00 0.00 C ATOM 1370 C ALA A 84 98.612 -4.236 2.985 1.00 0.00 C ATOM 1371 O ALA A 84 99.095 -4.966 3.828 1.00 0.00 O ATOM 1372 CB ALA A 84 100.282 -2.738 1.883 1.00 0.00 C ATOM 0 H ALA A 84 98.550 -2.781 0.068 1.00 0.00 H new ATOM 0 HA ALA A 84 99.934 -4.796 1.372 1.00 0.00 H new ATOM 0 HB1 ALA A 84 101.017 -2.979 2.651 1.00 0.00 H new ATOM 0 HB2 ALA A 84 100.795 -2.514 0.948 1.00 0.00 H new ATOM 0 HB3 ALA A 84 99.702 -1.870 2.196 1.00 0.00 H new ATOM 1378 N GLN A 85 97.438 -3.688 3.154 1.00 0.00 N ATOM 1379 CA GLN A 85 96.664 -3.952 4.397 1.00 0.00 C ATOM 1380 C GLN A 85 96.166 -5.396 4.365 1.00 0.00 C ATOM 1381 O GLN A 85 96.330 -6.140 5.312 1.00 0.00 O ATOM 1382 CB GLN A 85 95.470 -2.997 4.476 1.00 0.00 C ATOM 1383 CG GLN A 85 94.613 -3.351 5.693 1.00 0.00 C ATOM 1384 CD GLN A 85 95.491 -3.375 6.946 1.00 0.00 C ATOM 1385 OE1 GLN A 85 95.516 -4.352 7.666 1.00 0.00 O ATOM 1386 NE2 GLN A 85 96.219 -2.331 7.236 1.00 0.00 N ATOM 0 H GLN A 85 96.983 -3.069 2.483 1.00 0.00 H new ATOM 0 HA GLN A 85 97.299 -3.796 5.269 1.00 0.00 H new ATOM 0 HB2 GLN A 85 95.819 -1.967 4.551 1.00 0.00 H new ATOM 0 HB3 GLN A 85 94.874 -3.066 3.566 1.00 0.00 H new ATOM 0 HG2 GLN A 85 93.812 -2.622 5.811 1.00 0.00 H new ATOM 0 HG3 GLN A 85 94.141 -4.323 5.548 1.00 0.00 H new ATOM 0 HE21 GLN A 85 96.198 -1.510 6.631 1.00 0.00 H new ATOM 0 HE22 GLN A 85 96.809 -2.336 8.068 1.00 0.00 H new ATOM 1395 N LYS A 86 95.578 -5.809 3.274 1.00 0.00 N ATOM 1396 CA LYS A 86 95.100 -7.214 3.182 1.00 0.00 C ATOM 1397 C LYS A 86 96.298 -8.127 3.426 1.00 0.00 C ATOM 1398 O LYS A 86 96.161 -9.270 3.816 1.00 0.00 O ATOM 1399 CB LYS A 86 94.524 -7.474 1.789 1.00 0.00 C ATOM 1400 CG LYS A 86 93.036 -7.119 1.776 1.00 0.00 C ATOM 1401 CD LYS A 86 92.401 -7.622 0.478 1.00 0.00 C ATOM 1402 CE LYS A 86 91.012 -8.188 0.773 1.00 0.00 C ATOM 1403 NZ LYS A 86 90.402 -8.689 -0.492 1.00 0.00 N ATOM 0 H LYS A 86 95.410 -5.235 2.448 1.00 0.00 H new ATOM 0 HA LYS A 86 94.319 -7.403 3.919 1.00 0.00 H new ATOM 0 HB2 LYS A 86 95.057 -6.879 1.047 1.00 0.00 H new ATOM 0 HB3 LYS A 86 94.661 -8.521 1.517 1.00 0.00 H new ATOM 0 HG2 LYS A 86 92.537 -7.568 2.635 1.00 0.00 H new ATOM 0 HG3 LYS A 86 92.908 -6.040 1.861 1.00 0.00 H new ATOM 0 HD2 LYS A 86 92.327 -6.807 -0.242 1.00 0.00 H new ATOM 0 HD3 LYS A 86 93.030 -8.390 0.027 1.00 0.00 H new ATOM 0 HE2 LYS A 86 91.084 -8.997 1.500 1.00 0.00 H new ATOM 0 HE3 LYS A 86 90.380 -7.418 1.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 89.457 -9.074 -0.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 90.320 -7.906 -1.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 91.003 -9.436 -0.895 1.00 0.00 H new ATOM 1417 N LEU A 87 97.477 -7.613 3.206 1.00 0.00 N ATOM 1418 CA LEU A 87 98.706 -8.416 3.429 1.00 0.00 C ATOM 1419 C LEU A 87 99.254 -8.097 4.822 1.00 0.00 C ATOM 1420 O LEU A 87 100.394 -7.708 4.976 1.00 0.00 O ATOM 1421 CB LEU A 87 99.749 -8.049 2.370 1.00 0.00 C ATOM 1422 CG LEU A 87 99.114 -8.126 0.980 1.00 0.00 C ATOM 1423 CD1 LEU A 87 99.663 -7.001 0.094 1.00 0.00 C ATOM 1424 CD2 LEU A 87 99.445 -9.479 0.351 1.00 0.00 C ATOM 0 H LEU A 87 97.640 -6.661 2.878 1.00 0.00 H new ATOM 0 HA LEU A 87 98.478 -9.479 3.356 1.00 0.00 H new ATOM 0 HB2 LEU A 87 100.130 -7.044 2.552 1.00 0.00 H new ATOM 0 HB3 LEU A 87 100.599 -8.728 2.431 1.00 0.00 H new ATOM 0 HG LEU A 87 98.033 -8.015 1.068 1.00 0.00 H new ATOM 0 HD11 LEU A 87 99.207 -7.061 -0.894 1.00 0.00 H new ATOM 0 HD12 LEU A 87 99.428 -6.036 0.544 1.00 0.00 H new ATOM 0 HD13 LEU A 87 100.744 -7.105 0.002 1.00 0.00 H new ATOM 0 HD21 LEU A 87 98.995 -9.539 -0.640 1.00 0.00 H new ATOM 0 HD22 LEU A 87 100.526 -9.586 0.265 1.00 0.00 H new ATOM 0 HD23 LEU A 87 99.050 -10.278 0.978 1.00 0.00 H new ATOM 1436 N CYS A 88 98.445 -8.251 5.835 1.00 0.00 N ATOM 1437 CA CYS A 88 98.912 -7.950 7.219 1.00 0.00 C ATOM 1438 C CYS A 88 98.462 -9.068 8.164 1.00 0.00 C ATOM 1439 O CYS A 88 97.916 -8.820 9.220 1.00 0.00 O ATOM 1440 CB CYS A 88 98.312 -6.619 7.678 1.00 0.00 C ATOM 1441 SG CYS A 88 98.854 -6.258 9.367 1.00 0.00 S ATOM 0 H CYS A 88 97.480 -8.573 5.764 1.00 0.00 H new ATOM 0 HA CYS A 88 100.000 -7.882 7.231 1.00 0.00 H new ATOM 0 HB2 CYS A 88 98.622 -5.818 7.007 1.00 0.00 H new ATOM 0 HB3 CYS A 88 97.224 -6.666 7.637 1.00 0.00 H new ATOM 0 HG CYS A 88 98.668 -7.305 10.115 1.00 0.00 H new ATOM 1447 N THR A 89 98.688 -10.297 7.793 1.00 0.00 N ATOM 1448 CA THR A 89 98.275 -11.429 8.670 1.00 0.00 C ATOM 1449 C THR A 89 99.519 -12.071 9.278 1.00 0.00 C ATOM 1450 O THR A 89 99.800 -11.901 10.448 1.00 0.00 O ATOM 1451 CB THR A 89 97.514 -12.458 7.835 1.00 0.00 C ATOM 1452 OG1 THR A 89 98.177 -12.651 6.593 1.00 0.00 O ATOM 1453 CG2 THR A 89 96.103 -11.943 7.578 1.00 0.00 C ATOM 0 H THR A 89 99.141 -10.567 6.920 1.00 0.00 H new ATOM 0 HA THR A 89 97.630 -11.066 9.470 1.00 0.00 H new ATOM 0 HB THR A 89 97.472 -13.406 8.372 1.00 0.00 H new ATOM 0 HG1 THR A 89 97.688 -13.312 6.060 1.00 0.00 H new ATOM 0 HG21 THR A 89 95.553 -12.671 6.982 1.00 0.00 H new ATOM 0 HG22 THR A 89 95.592 -11.791 8.529 1.00 0.00 H new ATOM 0 HG23 THR A 89 96.154 -10.997 7.039 1.00 0.00 H new ATOM 1461 N PHE A 90 100.256 -12.796 8.477 1.00 0.00 N ATOM 1462 CA PHE A 90 101.510 -13.466 8.945 1.00 0.00 C ATOM 1463 C PHE A 90 102.096 -12.741 10.162 1.00 0.00 C ATOM 1464 O PHE A 90 102.057 -13.241 11.268 1.00 0.00 O ATOM 1465 CB PHE A 90 102.565 -13.469 7.821 1.00 0.00 C ATOM 1466 CG PHE A 90 102.121 -12.649 6.616 1.00 0.00 C ATOM 1467 CD1 PHE A 90 101.519 -11.387 6.777 1.00 0.00 C ATOM 1468 CD2 PHE A 90 102.339 -13.150 5.326 1.00 0.00 C ATOM 1469 CE1 PHE A 90 101.136 -10.643 5.655 1.00 0.00 C ATOM 1470 CE2 PHE A 90 101.952 -12.405 4.205 1.00 0.00 C ATOM 1471 CZ PHE A 90 101.352 -11.151 4.370 1.00 0.00 C ATOM 0 H PHE A 90 100.037 -12.956 7.494 1.00 0.00 H new ATOM 0 HA PHE A 90 101.255 -14.489 9.221 1.00 0.00 H new ATOM 0 HB2 PHE A 90 103.504 -13.070 8.205 1.00 0.00 H new ATOM 0 HB3 PHE A 90 102.759 -14.495 7.509 1.00 0.00 H new ATOM 0 HD1 PHE A 90 101.352 -10.992 7.768 1.00 0.00 H new ATOM 0 HD2 PHE A 90 102.807 -14.114 5.195 1.00 0.00 H new ATOM 0 HE1 PHE A 90 100.673 -9.675 5.782 1.00 0.00 H new ATOM 0 HE2 PHE A 90 102.117 -12.798 3.213 1.00 0.00 H new ATOM 0 HZ PHE A 90 101.056 -10.576 3.505 1.00 0.00 H new ATOM 1481 N SER A 91 102.645 -11.571 9.968 1.00 0.00 N ATOM 1482 CA SER A 91 103.234 -10.830 11.120 1.00 0.00 C ATOM 1483 C SER A 91 102.813 -9.360 11.064 1.00 0.00 C ATOM 1484 O SER A 91 101.887 -8.992 10.367 1.00 0.00 O ATOM 1485 CB SER A 91 104.759 -10.925 11.060 1.00 0.00 C ATOM 1486 OG SER A 91 105.134 -12.252 10.716 1.00 0.00 O ATOM 0 H SER A 91 102.711 -11.099 9.066 1.00 0.00 H new ATOM 0 HA SER A 91 102.875 -11.270 12.050 1.00 0.00 H new ATOM 0 HB2 SER A 91 105.150 -10.222 10.324 1.00 0.00 H new ATOM 0 HB3 SER A 91 105.190 -10.651 12.023 1.00 0.00 H new ATOM 0 HG SER A 91 106.044 -12.251 10.352 1.00 0.00 H new ATOM 1492 N PHE A 92 103.486 -8.517 11.799 1.00 0.00 N ATOM 1493 CA PHE A 92 103.129 -7.069 11.798 1.00 0.00 C ATOM 1494 C PHE A 92 103.187 -6.526 10.368 1.00 0.00 C ATOM 1495 O PHE A 92 103.500 -7.237 9.439 1.00 0.00 O ATOM 1496 CB PHE A 92 104.118 -6.302 12.687 1.00 0.00 C ATOM 1497 CG PHE A 92 105.402 -6.037 11.930 1.00 0.00 C ATOM 1498 CD1 PHE A 92 106.443 -6.973 11.957 1.00 0.00 C ATOM 1499 CD2 PHE A 92 105.550 -4.849 11.202 1.00 0.00 C ATOM 1500 CE1 PHE A 92 107.625 -6.723 11.257 1.00 0.00 C ATOM 1501 CE2 PHE A 92 106.734 -4.600 10.502 1.00 0.00 C ATOM 1502 CZ PHE A 92 107.773 -5.537 10.529 1.00 0.00 C ATOM 0 H PHE A 92 104.269 -8.769 12.402 1.00 0.00 H new ATOM 0 HA PHE A 92 102.119 -6.941 12.187 1.00 0.00 H new ATOM 0 HB2 PHE A 92 103.675 -5.359 13.008 1.00 0.00 H new ATOM 0 HB3 PHE A 92 104.330 -6.877 13.588 1.00 0.00 H new ATOM 0 HD1 PHE A 92 106.332 -7.888 12.519 1.00 0.00 H new ATOM 0 HD2 PHE A 92 104.749 -4.125 11.182 1.00 0.00 H new ATOM 0 HE1 PHE A 92 108.427 -7.446 11.277 1.00 0.00 H new ATOM 0 HE2 PHE A 92 106.847 -3.684 9.940 1.00 0.00 H new ATOM 0 HZ PHE A 92 108.688 -5.345 9.989 1.00 0.00 H new ATOM 1512 N LEU A 93 102.892 -5.268 10.189 1.00 0.00 N ATOM 1513 CA LEU A 93 102.938 -4.680 8.821 1.00 0.00 C ATOM 1514 C LEU A 93 103.038 -3.156 8.922 1.00 0.00 C ATOM 1515 O LEU A 93 102.395 -2.535 9.744 1.00 0.00 O ATOM 1516 CB LEU A 93 101.667 -5.053 8.059 1.00 0.00 C ATOM 1517 CG LEU A 93 101.585 -4.226 6.775 1.00 0.00 C ATOM 1518 CD1 LEU A 93 101.294 -5.146 5.590 1.00 0.00 C ATOM 1519 CD2 LEU A 93 100.465 -3.191 6.905 1.00 0.00 C ATOM 0 H LEU A 93 102.621 -4.622 10.931 1.00 0.00 H new ATOM 0 HA LEU A 93 103.808 -5.069 8.291 1.00 0.00 H new ATOM 0 HB2 LEU A 93 101.672 -6.117 7.820 1.00 0.00 H new ATOM 0 HB3 LEU A 93 100.790 -4.869 8.680 1.00 0.00 H new ATOM 0 HG LEU A 93 102.534 -3.716 6.612 1.00 0.00 H new ATOM 0 HD11 LEU A 93 101.236 -4.555 4.676 1.00 0.00 H new ATOM 0 HD12 LEU A 93 102.093 -5.882 5.496 1.00 0.00 H new ATOM 0 HD13 LEU A 93 100.346 -5.658 5.752 1.00 0.00 H new ATOM 0 HD21 LEU A 93 100.406 -2.601 5.990 1.00 0.00 H new ATOM 0 HD22 LEU A 93 99.516 -3.701 7.070 1.00 0.00 H new ATOM 0 HD23 LEU A 93 100.674 -2.533 7.748 1.00 0.00 H new ATOM 1531 N ILE A 94 103.837 -2.548 8.089 1.00 0.00 N ATOM 1532 CA ILE A 94 103.974 -1.065 8.133 1.00 0.00 C ATOM 1533 C ILE A 94 104.107 -0.526 6.707 1.00 0.00 C ATOM 1534 O ILE A 94 105.161 -0.083 6.295 1.00 0.00 O ATOM 1535 CB ILE A 94 105.216 -0.687 8.943 1.00 0.00 C ATOM 1536 CG1 ILE A 94 105.033 -1.132 10.397 1.00 0.00 C ATOM 1537 CG2 ILE A 94 105.412 0.829 8.899 1.00 0.00 C ATOM 1538 CD1 ILE A 94 106.369 -1.631 10.951 1.00 0.00 C ATOM 0 H ILE A 94 104.401 -3.015 7.379 1.00 0.00 H new ATOM 0 HA ILE A 94 103.092 -0.632 8.605 1.00 0.00 H new ATOM 0 HB ILE A 94 106.090 -1.181 8.517 1.00 0.00 H new ATOM 0 HG12 ILE A 94 104.665 -0.301 10.999 1.00 0.00 H new ATOM 0 HG13 ILE A 94 104.285 -1.923 10.455 1.00 0.00 H new ATOM 0 HG21 ILE A 94 106.297 1.098 9.476 1.00 0.00 H new ATOM 0 HG22 ILE A 94 105.542 1.149 7.865 1.00 0.00 H new ATOM 0 HG23 ILE A 94 104.538 1.321 9.324 1.00 0.00 H new ATOM 0 HD11 ILE A 94 106.238 -1.948 11.986 1.00 0.00 H new ATOM 0 HD12 ILE A 94 106.718 -2.474 10.355 1.00 0.00 H new ATOM 0 HD13 ILE A 94 107.104 -0.827 10.908 1.00 0.00 H new ATOM 1550 N CYS A 95 103.044 -0.560 5.950 1.00 0.00 N ATOM 1551 CA CYS A 95 103.108 -0.050 4.551 1.00 0.00 C ATOM 1552 C CYS A 95 102.820 1.453 4.548 1.00 0.00 C ATOM 1553 O CYS A 95 101.906 1.920 5.198 1.00 0.00 O ATOM 1554 CB CYS A 95 102.065 -0.779 3.697 1.00 0.00 C ATOM 1555 SG CYS A 95 101.875 0.065 2.105 1.00 0.00 S ATOM 0 H CYS A 95 102.134 -0.919 6.240 1.00 0.00 H new ATOM 0 HA CYS A 95 104.101 -0.229 4.138 1.00 0.00 H new ATOM 0 HB2 CYS A 95 102.371 -1.813 3.536 1.00 0.00 H new ATOM 0 HB3 CYS A 95 101.109 -0.807 4.220 1.00 0.00 H new ATOM 0 HG CYS A 95 100.619 0.085 1.771 1.00 0.00 H new ATOM 1561 N LYS A 96 103.590 2.214 3.820 1.00 0.00 N ATOM 1562 CA LYS A 96 103.353 3.684 3.778 1.00 0.00 C ATOM 1563 C LYS A 96 103.842 4.242 2.440 1.00 0.00 C ATOM 1564 O LYS A 96 104.971 4.029 2.043 1.00 0.00 O ATOM 1565 CB LYS A 96 104.116 4.357 4.923 1.00 0.00 C ATOM 1566 CG LYS A 96 103.301 4.245 6.213 1.00 0.00 C ATOM 1567 CD LYS A 96 103.202 5.620 6.877 1.00 0.00 C ATOM 1568 CE LYS A 96 102.395 5.505 8.172 1.00 0.00 C ATOM 1569 NZ LYS A 96 101.851 6.843 8.540 1.00 0.00 N ATOM 0 H LYS A 96 104.371 1.882 3.254 1.00 0.00 H new ATOM 0 HA LYS A 96 102.287 3.883 3.886 1.00 0.00 H new ATOM 0 HB2 LYS A 96 105.090 3.884 5.053 1.00 0.00 H new ATOM 0 HB3 LYS A 96 104.299 5.405 4.686 1.00 0.00 H new ATOM 0 HG2 LYS A 96 102.304 3.863 5.993 1.00 0.00 H new ATOM 0 HG3 LYS A 96 103.772 3.535 6.892 1.00 0.00 H new ATOM 0 HD2 LYS A 96 104.199 6.005 7.090 1.00 0.00 H new ATOM 0 HD3 LYS A 96 102.725 6.329 6.200 1.00 0.00 H new ATOM 0 HE2 LYS A 96 101.580 4.792 8.043 1.00 0.00 H new ATOM 0 HE3 LYS A 96 103.027 5.125 8.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 101.020 6.723 9.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 102.579 7.387 9.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 101.574 7.354 7.678 1.00 0.00 H new ATOM 1583 N GLY A 97 103.000 4.951 1.740 1.00 0.00 N ATOM 1584 CA GLY A 97 103.413 5.521 0.426 1.00 0.00 C ATOM 1585 C GLY A 97 104.687 6.349 0.605 1.00 0.00 C ATOM 1586 O GLY A 97 105.336 6.294 1.631 1.00 0.00 O ATOM 0 H GLY A 97 102.042 5.161 2.021 1.00 0.00 H new ATOM 0 HA2 GLY A 97 103.586 4.719 -0.292 1.00 0.00 H new ATOM 0 HA3 GLY A 97 102.616 6.144 0.022 1.00 0.00 H new ATOM 1590 N VAL A 98 105.051 7.116 -0.386 1.00 0.00 N ATOM 1591 CA VAL A 98 106.284 7.944 -0.269 1.00 0.00 C ATOM 1592 C VAL A 98 106.208 9.118 -1.248 1.00 0.00 C ATOM 1593 O VAL A 98 105.560 9.045 -2.272 1.00 0.00 O ATOM 1594 CB VAL A 98 107.505 7.084 -0.599 1.00 0.00 C ATOM 1595 CG1 VAL A 98 108.778 7.913 -0.420 1.00 0.00 C ATOM 1596 CG2 VAL A 98 107.546 5.879 0.342 1.00 0.00 C ATOM 0 H VAL A 98 104.549 7.205 -1.270 1.00 0.00 H new ATOM 0 HA VAL A 98 106.370 8.326 0.748 1.00 0.00 H new ATOM 0 HB VAL A 98 107.439 6.740 -1.631 1.00 0.00 H new ATOM 0 HG11 VAL A 98 109.648 7.300 -0.655 1.00 0.00 H new ATOM 0 HG12 VAL A 98 108.749 8.773 -1.089 1.00 0.00 H new ATOM 0 HG13 VAL A 98 108.846 8.258 0.612 1.00 0.00 H new ATOM 0 HG21 VAL A 98 108.416 5.265 0.109 1.00 0.00 H new ATOM 0 HG22 VAL A 98 107.612 6.225 1.373 1.00 0.00 H new ATOM 0 HG23 VAL A 98 106.639 5.288 0.215 1.00 0.00 H new ATOM 1606 N ASN A 99 106.866 10.203 -0.940 1.00 0.00 N ATOM 1607 CA ASN A 99 106.834 11.380 -1.853 1.00 0.00 C ATOM 1608 C ASN A 99 108.209 11.558 -2.499 1.00 0.00 C ATOM 1609 O ASN A 99 108.322 11.845 -3.675 1.00 0.00 O ATOM 1610 CB ASN A 99 106.479 12.635 -1.052 1.00 0.00 C ATOM 1611 CG ASN A 99 107.615 12.960 -0.082 1.00 0.00 C ATOM 1612 OD1 ASN A 99 108.621 13.519 -0.470 1.00 0.00 O ATOM 1613 ND2 ASN A 99 107.497 12.629 1.175 1.00 0.00 N ATOM 0 H ASN A 99 107.424 10.325 -0.095 1.00 0.00 H new ATOM 0 HA ASN A 99 106.085 11.221 -2.629 1.00 0.00 H new ATOM 0 HB2 ASN A 99 106.312 13.475 -1.727 1.00 0.00 H new ATOM 0 HB3 ASN A 99 105.551 12.478 -0.502 1.00 0.00 H new ATOM 0 HD21 ASN A 99 108.249 12.840 1.831 1.00 0.00 H new ATOM 0 HD22 ASN A 99 106.652 12.160 1.502 1.00 0.00 H new ATOM 1620 N LYS A 100 109.257 11.389 -1.740 1.00 0.00 N ATOM 1621 CA LYS A 100 110.624 11.546 -2.310 1.00 0.00 C ATOM 1622 C LYS A 100 111.299 10.174 -2.393 1.00 0.00 C ATOM 1623 O LYS A 100 112.165 9.849 -1.604 1.00 0.00 O ATOM 1624 CB LYS A 100 111.450 12.470 -1.412 1.00 0.00 C ATOM 1625 CG LYS A 100 112.195 13.490 -2.275 1.00 0.00 C ATOM 1626 CD LYS A 100 112.098 14.874 -1.630 1.00 0.00 C ATOM 1627 CE LYS A 100 113.306 15.716 -2.046 1.00 0.00 C ATOM 1628 NZ LYS A 100 112.898 16.679 -3.108 1.00 0.00 N ATOM 0 H LYS A 100 109.225 11.149 -0.749 1.00 0.00 H new ATOM 0 HA LYS A 100 110.556 11.980 -3.308 1.00 0.00 H new ATOM 0 HB2 LYS A 100 110.799 12.983 -0.704 1.00 0.00 H new ATOM 0 HB3 LYS A 100 112.160 11.886 -0.827 1.00 0.00 H new ATOM 0 HG2 LYS A 100 113.240 13.199 -2.380 1.00 0.00 H new ATOM 0 HG3 LYS A 100 111.769 13.514 -3.278 1.00 0.00 H new ATOM 0 HD2 LYS A 100 111.175 15.366 -1.937 1.00 0.00 H new ATOM 0 HD3 LYS A 100 112.063 14.780 -0.545 1.00 0.00 H new ATOM 0 HE2 LYS A 100 113.702 16.254 -1.185 1.00 0.00 H new ATOM 0 HE3 LYS A 100 114.104 15.070 -2.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 113.719 17.252 -3.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 112.540 16.156 -3.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 112.150 17.303 -2.742 1.00 0.00 H new ATOM 1642 N GLU A 101 110.909 9.369 -3.342 1.00 0.00 N ATOM 1643 CA GLU A 101 111.526 8.019 -3.476 1.00 0.00 C ATOM 1644 C GLU A 101 113.041 8.163 -3.628 1.00 0.00 C ATOM 1645 O GLU A 101 113.788 7.865 -2.718 1.00 0.00 O ATOM 1646 CB GLU A 101 110.962 7.322 -4.713 1.00 0.00 C ATOM 1647 CG GLU A 101 110.639 5.866 -4.374 1.00 0.00 C ATOM 1648 CD GLU A 101 109.511 5.821 -3.340 1.00 0.00 C ATOM 1649 OE1 GLU A 101 109.133 6.877 -2.860 1.00 0.00 O ATOM 1650 OE2 GLU A 101 109.046 4.732 -3.047 1.00 0.00 O ATOM 0 H GLU A 101 110.189 9.587 -4.031 1.00 0.00 H new ATOM 0 HA GLU A 101 111.301 7.429 -2.587 1.00 0.00 H new ATOM 0 HB2 GLU A 101 110.063 7.835 -5.055 1.00 0.00 H new ATOM 0 HB3 GLU A 101 111.684 7.365 -5.529 1.00 0.00 H new ATOM 0 HG2 GLU A 101 110.343 5.329 -5.275 1.00 0.00 H new ATOM 0 HG3 GLU A 101 111.526 5.367 -3.983 1.00 0.00 H new ATOM 1657 N TYR A 102 113.481 8.610 -4.784 1.00 0.00 N ATOM 1658 CA TYR A 102 114.947 8.794 -5.062 1.00 0.00 C ATOM 1659 C TYR A 102 115.750 8.883 -3.766 1.00 0.00 C ATOM 1660 O TYR A 102 116.647 8.098 -3.526 1.00 0.00 O ATOM 1661 CB TYR A 102 115.141 10.088 -5.858 1.00 0.00 C ATOM 1662 CG TYR A 102 116.614 10.338 -6.087 1.00 0.00 C ATOM 1663 CD1 TYR A 102 117.440 10.736 -5.024 1.00 0.00 C ATOM 1664 CD2 TYR A 102 117.155 10.182 -7.369 1.00 0.00 C ATOM 1665 CE1 TYR A 102 118.802 10.975 -5.248 1.00 0.00 C ATOM 1666 CE2 TYR A 102 118.516 10.419 -7.591 1.00 0.00 C ATOM 1667 CZ TYR A 102 119.340 10.816 -6.530 1.00 0.00 C ATOM 1668 OH TYR A 102 120.681 11.051 -6.749 1.00 0.00 O ATOM 0 H TYR A 102 112.873 8.860 -5.563 1.00 0.00 H new ATOM 0 HA TYR A 102 115.303 7.933 -5.628 1.00 0.00 H new ATOM 0 HB2 TYR A 102 114.623 10.018 -6.814 1.00 0.00 H new ATOM 0 HB3 TYR A 102 114.701 10.926 -5.318 1.00 0.00 H new ATOM 0 HD1 TYR A 102 117.026 10.858 -4.034 1.00 0.00 H new ATOM 0 HD2 TYR A 102 116.520 9.878 -8.188 1.00 0.00 H new ATOM 0 HE1 TYR A 102 119.437 11.282 -4.431 1.00 0.00 H new ATOM 0 HE2 TYR A 102 118.931 10.296 -8.580 1.00 0.00 H new ATOM 0 HH TYR A 102 120.891 10.894 -7.693 1.00 0.00 H new ATOM 1678 N LEU A 103 115.445 9.831 -2.928 1.00 0.00 N ATOM 1679 CA LEU A 103 116.200 9.961 -1.658 1.00 0.00 C ATOM 1680 C LEU A 103 116.014 8.702 -0.815 1.00 0.00 C ATOM 1681 O LEU A 103 116.951 7.980 -0.556 1.00 0.00 O ATOM 1682 CB LEU A 103 115.679 11.168 -0.880 1.00 0.00 C ATOM 1683 CG LEU A 103 116.807 12.172 -0.645 1.00 0.00 C ATOM 1684 CD1 LEU A 103 116.389 13.146 0.452 1.00 0.00 C ATOM 1685 CD2 LEU A 103 118.080 11.441 -0.213 1.00 0.00 C ATOM 0 H LEU A 103 114.706 10.520 -3.069 1.00 0.00 H new ATOM 0 HA LEU A 103 117.258 10.094 -1.882 1.00 0.00 H new ATOM 0 HB2 LEU A 103 114.868 11.643 -1.432 1.00 0.00 H new ATOM 0 HB3 LEU A 103 115.266 10.844 0.075 1.00 0.00 H new ATOM 0 HG LEU A 103 117.004 12.714 -1.570 1.00 0.00 H new ATOM 0 HD11 LEU A 103 117.190 13.865 0.625 1.00 0.00 H new ATOM 0 HD12 LEU A 103 115.487 13.675 0.145 1.00 0.00 H new ATOM 0 HD13 LEU A 103 116.192 12.595 1.372 1.00 0.00 H new ATOM 0 HD21 LEU A 103 118.877 12.166 -0.048 1.00 0.00 H new ATOM 0 HD22 LEU A 103 117.890 10.894 0.711 1.00 0.00 H new ATOM 0 HD23 LEU A 103 118.381 10.742 -0.993 1.00 0.00 H new ATOM 1697 N MET A 104 114.812 8.444 -0.377 1.00 0.00 N ATOM 1698 CA MET A 104 114.554 7.239 0.465 1.00 0.00 C ATOM 1699 C MET A 104 115.377 6.048 -0.042 1.00 0.00 C ATOM 1700 O MET A 104 116.177 5.487 0.680 1.00 0.00 O ATOM 1701 CB MET A 104 113.065 6.896 0.404 1.00 0.00 C ATOM 1702 CG MET A 104 112.761 5.753 1.372 1.00 0.00 C ATOM 1703 SD MET A 104 112.255 6.430 2.972 1.00 0.00 S ATOM 1704 CE MET A 104 111.609 4.890 3.667 1.00 0.00 C ATOM 0 H MET A 104 113.992 9.020 -0.567 1.00 0.00 H new ATOM 0 HA MET A 104 114.845 7.452 1.494 1.00 0.00 H new ATOM 0 HB2 MET A 104 112.469 7.772 0.661 1.00 0.00 H new ATOM 0 HB3 MET A 104 112.789 6.609 -0.611 1.00 0.00 H new ATOM 0 HG2 MET A 104 111.971 5.121 0.967 1.00 0.00 H new ATOM 0 HG3 MET A 104 113.642 5.123 1.495 1.00 0.00 H new ATOM 0 HE1 MET A 104 111.649 4.937 4.755 1.00 0.00 H new ATOM 0 HE2 MET A 104 110.576 4.752 3.348 1.00 0.00 H new ATOM 0 HE3 MET A 104 112.212 4.052 3.317 1.00 0.00 H new ATOM 1714 N TYR A 105 115.189 5.655 -1.273 1.00 0.00 N ATOM 1715 CA TYR A 105 115.965 4.499 -1.811 1.00 0.00 C ATOM 1716 C TYR A 105 117.460 4.724 -1.561 1.00 0.00 C ATOM 1717 O TYR A 105 118.172 3.825 -1.164 1.00 0.00 O ATOM 1718 CB TYR A 105 115.705 4.363 -3.314 1.00 0.00 C ATOM 1719 CG TYR A 105 116.708 3.411 -3.922 1.00 0.00 C ATOM 1720 CD1 TYR A 105 117.994 3.862 -4.242 1.00 0.00 C ATOM 1721 CD2 TYR A 105 116.355 2.077 -4.166 1.00 0.00 C ATOM 1722 CE1 TYR A 105 118.925 2.984 -4.804 1.00 0.00 C ATOM 1723 CE2 TYR A 105 117.285 1.199 -4.728 1.00 0.00 C ATOM 1724 CZ TYR A 105 118.571 1.651 -5.048 1.00 0.00 C ATOM 1725 OH TYR A 105 119.490 0.783 -5.602 1.00 0.00 O ATOM 0 H TYR A 105 114.534 6.082 -1.928 1.00 0.00 H new ATOM 0 HA TYR A 105 115.651 3.584 -1.308 1.00 0.00 H new ATOM 0 HB2 TYR A 105 114.693 3.998 -3.486 1.00 0.00 H new ATOM 0 HB3 TYR A 105 115.778 5.339 -3.795 1.00 0.00 H new ATOM 0 HD1 TYR A 105 118.267 4.890 -4.054 1.00 0.00 H new ATOM 0 HD2 TYR A 105 115.363 1.727 -3.919 1.00 0.00 H new ATOM 0 HE1 TYR A 105 119.917 3.333 -5.050 1.00 0.00 H new ATOM 0 HE2 TYR A 105 117.012 0.171 -4.916 1.00 0.00 H new ATOM 0 HH TYR A 105 119.083 -0.103 -5.704 1.00 0.00 H new ATOM 1735 N SER A 106 117.941 5.917 -1.788 1.00 0.00 N ATOM 1736 CA SER A 106 119.389 6.194 -1.559 1.00 0.00 C ATOM 1737 C SER A 106 119.750 5.858 -0.109 1.00 0.00 C ATOM 1738 O SER A 106 120.617 5.049 0.156 1.00 0.00 O ATOM 1739 CB SER A 106 119.673 7.673 -1.826 1.00 0.00 C ATOM 1740 OG SER A 106 121.051 7.840 -2.130 1.00 0.00 O ATOM 0 H SER A 106 117.395 6.711 -2.122 1.00 0.00 H new ATOM 0 HA SER A 106 119.988 5.582 -2.233 1.00 0.00 H new ATOM 0 HB2 SER A 106 119.060 8.029 -2.654 1.00 0.00 H new ATOM 0 HB3 SER A 106 119.407 8.269 -0.953 1.00 0.00 H new ATOM 0 HG SER A 106 121.235 8.787 -2.303 1.00 0.00 H new ATOM 1746 N ALA A 107 119.089 6.476 0.832 1.00 0.00 N ATOM 1747 CA ALA A 107 119.383 6.195 2.262 1.00 0.00 C ATOM 1748 C ALA A 107 119.159 4.705 2.542 1.00 0.00 C ATOM 1749 O ALA A 107 119.589 4.182 3.551 1.00 0.00 O ATOM 1750 CB ALA A 107 118.451 7.033 3.144 1.00 0.00 C ATOM 0 H ALA A 107 118.356 7.166 0.669 1.00 0.00 H new ATOM 0 HA ALA A 107 120.419 6.452 2.484 1.00 0.00 H new ATOM 0 HB1 ALA A 107 118.663 6.830 4.194 1.00 0.00 H new ATOM 0 HB2 ALA A 107 118.611 8.092 2.940 1.00 0.00 H new ATOM 0 HB3 ALA A 107 117.415 6.774 2.927 1.00 0.00 H new ATOM 1756 N LEU A 108 118.491 4.018 1.654 1.00 0.00 N ATOM 1757 CA LEU A 108 118.242 2.563 1.865 1.00 0.00 C ATOM 1758 C LEU A 108 119.419 1.755 1.315 1.00 0.00 C ATOM 1759 O LEU A 108 119.727 0.682 1.794 1.00 0.00 O ATOM 1760 CB LEU A 108 116.962 2.154 1.134 1.00 0.00 C ATOM 1761 CG LEU A 108 115.753 2.410 2.032 1.00 0.00 C ATOM 1762 CD1 LEU A 108 114.483 1.937 1.325 1.00 0.00 C ATOM 1763 CD2 LEU A 108 115.922 1.640 3.345 1.00 0.00 C ATOM 0 H LEU A 108 118.107 4.402 0.791 1.00 0.00 H new ATOM 0 HA LEU A 108 118.134 2.367 2.932 1.00 0.00 H new ATOM 0 HB2 LEU A 108 116.865 2.719 0.207 1.00 0.00 H new ATOM 0 HB3 LEU A 108 117.008 1.100 0.862 1.00 0.00 H new ATOM 0 HG LEU A 108 115.676 3.477 2.242 1.00 0.00 H new ATOM 0 HD11 LEU A 108 113.620 2.120 1.966 1.00 0.00 H new ATOM 0 HD12 LEU A 108 114.362 2.483 0.390 1.00 0.00 H new ATOM 0 HD13 LEU A 108 114.559 0.870 1.115 1.00 0.00 H new ATOM 0 HD21 LEU A 108 115.060 1.822 3.987 1.00 0.00 H new ATOM 0 HD22 LEU A 108 115.999 0.573 3.134 1.00 0.00 H new ATOM 0 HD23 LEU A 108 116.828 1.976 3.850 1.00 0.00 H new ATOM 1775 N THR A 109 120.081 2.262 0.311 1.00 0.00 N ATOM 1776 CA THR A 109 121.236 1.522 -0.268 1.00 0.00 C ATOM 1777 C THR A 109 122.464 1.737 0.616 1.00 0.00 C ATOM 1778 O THR A 109 123.398 0.960 0.599 1.00 0.00 O ATOM 1779 CB THR A 109 121.524 2.044 -1.677 1.00 0.00 C ATOM 1780 OG1 THR A 109 122.050 3.361 -1.593 1.00 0.00 O ATOM 1781 CG2 THR A 109 120.230 2.059 -2.491 1.00 0.00 C ATOM 0 H THR A 109 119.871 3.156 -0.133 1.00 0.00 H new ATOM 0 HA THR A 109 121.001 0.459 -0.318 1.00 0.00 H new ATOM 0 HB THR A 109 122.249 1.394 -2.166 1.00 0.00 H new ATOM 0 HG1 THR A 109 121.497 3.896 -0.985 1.00 0.00 H new ATOM 0 HG21 THR A 109 120.436 2.431 -3.495 1.00 0.00 H new ATOM 0 HG22 THR A 109 119.828 1.048 -2.554 1.00 0.00 H new ATOM 0 HG23 THR A 109 119.502 2.709 -2.005 1.00 0.00 H new ATOM 1789 N ARG A 110 122.470 2.786 1.390 1.00 0.00 N ATOM 1790 CA ARG A 110 123.636 3.050 2.277 1.00 0.00 C ATOM 1791 C ARG A 110 123.382 2.423 3.649 1.00 0.00 C ATOM 1792 O ARG A 110 122.296 2.505 4.189 1.00 0.00 O ATOM 1793 CB ARG A 110 123.828 4.560 2.431 1.00 0.00 C ATOM 1794 CG ARG A 110 125.321 4.891 2.413 1.00 0.00 C ATOM 1795 CD ARG A 110 125.720 5.527 3.746 1.00 0.00 C ATOM 1796 NE ARG A 110 126.275 6.888 3.500 1.00 0.00 N ATOM 1797 CZ ARG A 110 125.614 7.738 2.765 1.00 0.00 C ATOM 1798 NH1 ARG A 110 124.545 8.318 3.241 1.00 0.00 N ATOM 1799 NH2 ARG A 110 126.020 8.011 1.555 1.00 0.00 N ATOM 0 H ARG A 110 121.717 3.472 1.446 1.00 0.00 H new ATOM 0 HA ARG A 110 124.534 2.614 1.839 1.00 0.00 H new ATOM 0 HB2 ARG A 110 123.319 5.086 1.623 1.00 0.00 H new ATOM 0 HB3 ARG A 110 123.381 4.900 3.365 1.00 0.00 H new ATOM 0 HG2 ARG A 110 125.903 3.985 2.242 1.00 0.00 H new ATOM 0 HG3 ARG A 110 125.543 5.573 1.592 1.00 0.00 H new ATOM 0 HD2 ARG A 110 124.854 5.589 4.405 1.00 0.00 H new ATOM 0 HD3 ARG A 110 126.461 4.906 4.250 1.00 0.00 H new ATOM 0 HE ARG A 110 127.172 7.154 3.907 1.00 0.00 H new ATOM 0 HH11 ARG A 110 124.228 8.106 4.187 1.00 0.00 H new ATOM 0 HH12 ARG A 110 124.027 8.983 2.667 1.00 0.00 H new ATOM 0 HH21 ARG A 110 126.855 7.559 1.183 1.00 0.00 H new ATOM 0 HH22 ARG A 110 125.502 8.676 0.981 1.00 0.00 H new ATOM 1813 N ASP A 111 124.373 1.796 4.217 1.00 0.00 N ATOM 1814 CA ASP A 111 124.182 1.167 5.553 1.00 0.00 C ATOM 1815 C ASP A 111 123.437 2.141 6.470 1.00 0.00 C ATOM 1816 O ASP A 111 123.404 3.328 6.213 1.00 0.00 O ATOM 1817 CB ASP A 111 125.547 0.836 6.160 1.00 0.00 C ATOM 1818 CG ASP A 111 125.784 -0.673 6.096 1.00 0.00 C ATOM 1819 OD1 ASP A 111 125.153 -1.317 5.273 1.00 0.00 O ATOM 1820 OD2 ASP A 111 126.592 -1.160 6.868 1.00 0.00 O ATOM 0 H ASP A 111 125.305 1.692 3.815 1.00 0.00 H new ATOM 0 HA ASP A 111 123.601 0.251 5.446 1.00 0.00 H new ATOM 0 HB2 ASP A 111 126.334 1.361 5.619 1.00 0.00 H new ATOM 0 HB3 ASP A 111 125.589 1.177 7.194 1.00 0.00 H new ATOM 1825 N PRO A 112 122.862 1.606 7.515 1.00 0.00 N ATOM 1826 CA PRO A 112 122.910 0.163 7.814 1.00 0.00 C ATOM 1827 C PRO A 112 121.885 -0.604 6.967 1.00 0.00 C ATOM 1828 O PRO A 112 121.597 -1.755 7.225 1.00 0.00 O ATOM 1829 CB PRO A 112 122.544 0.096 9.299 1.00 0.00 C ATOM 1830 CG PRO A 112 121.764 1.395 9.616 1.00 0.00 C ATOM 1831 CD PRO A 112 122.112 2.403 8.505 1.00 0.00 C ATOM 0 HA PRO A 112 123.878 -0.286 7.592 1.00 0.00 H new ATOM 0 HB2 PRO A 112 121.936 -0.784 9.510 1.00 0.00 H new ATOM 0 HB3 PRO A 112 123.439 0.020 9.917 1.00 0.00 H new ATOM 0 HG2 PRO A 112 120.691 1.205 9.644 1.00 0.00 H new ATOM 0 HG3 PRO A 112 122.044 1.786 10.594 1.00 0.00 H new ATOM 0 HD2 PRO A 112 121.214 2.839 8.067 1.00 0.00 H new ATOM 0 HD3 PRO A 112 122.712 3.228 8.889 1.00 0.00 H new ATOM 1839 N PHE A 113 121.332 0.019 5.960 1.00 0.00 N ATOM 1840 CA PHE A 113 120.330 -0.688 5.111 1.00 0.00 C ATOM 1841 C PHE A 113 121.054 -1.450 3.998 1.00 0.00 C ATOM 1842 O PHE A 113 121.661 -0.863 3.124 1.00 0.00 O ATOM 1843 CB PHE A 113 119.369 0.331 4.495 1.00 0.00 C ATOM 1844 CG PHE A 113 118.696 1.115 5.596 1.00 0.00 C ATOM 1845 CD1 PHE A 113 117.670 0.531 6.350 1.00 0.00 C ATOM 1846 CD2 PHE A 113 119.104 2.426 5.869 1.00 0.00 C ATOM 1847 CE1 PHE A 113 117.053 1.256 7.373 1.00 0.00 C ATOM 1848 CE2 PHE A 113 118.486 3.152 6.891 1.00 0.00 C ATOM 1849 CZ PHE A 113 117.460 2.568 7.645 1.00 0.00 C ATOM 0 H PHE A 113 121.530 0.982 5.690 1.00 0.00 H new ATOM 0 HA PHE A 113 119.765 -1.390 5.724 1.00 0.00 H new ATOM 0 HB2 PHE A 113 119.912 1.005 3.833 1.00 0.00 H new ATOM 0 HB3 PHE A 113 118.621 -0.179 3.887 1.00 0.00 H new ATOM 0 HD1 PHE A 113 117.355 -0.481 6.140 1.00 0.00 H new ATOM 0 HD2 PHE A 113 119.896 2.877 5.290 1.00 0.00 H new ATOM 0 HE1 PHE A 113 116.262 0.804 7.954 1.00 0.00 H new ATOM 0 HE2 PHE A 113 118.800 4.164 7.100 1.00 0.00 H new ATOM 0 HZ PHE A 113 116.983 3.129 8.435 1.00 0.00 H new ATOM 1859 N SER A 114 120.997 -2.754 4.024 1.00 0.00 N ATOM 1860 CA SER A 114 121.684 -3.551 2.969 1.00 0.00 C ATOM 1861 C SER A 114 120.722 -3.791 1.803 1.00 0.00 C ATOM 1862 O SER A 114 119.525 -3.640 1.935 1.00 0.00 O ATOM 1863 CB SER A 114 122.124 -4.896 3.550 1.00 0.00 C ATOM 1864 OG SER A 114 122.410 -4.738 4.933 1.00 0.00 O ATOM 0 H SER A 114 120.505 -3.301 4.730 1.00 0.00 H new ATOM 0 HA SER A 114 122.558 -3.005 2.614 1.00 0.00 H new ATOM 0 HB2 SER A 114 121.339 -5.639 3.412 1.00 0.00 H new ATOM 0 HB3 SER A 114 123.006 -5.262 3.024 1.00 0.00 H new ATOM 0 HG SER A 114 122.691 -5.598 5.309 1.00 0.00 H new ATOM 1870 N VAL A 115 121.235 -4.164 0.662 1.00 0.00 N ATOM 1871 CA VAL A 115 120.342 -4.412 -0.505 1.00 0.00 C ATOM 1872 C VAL A 115 120.332 -5.905 -0.836 1.00 0.00 C ATOM 1873 O VAL A 115 121.322 -6.467 -1.259 1.00 0.00 O ATOM 1874 CB VAL A 115 120.846 -3.621 -1.714 1.00 0.00 C ATOM 1875 CG1 VAL A 115 119.806 -3.681 -2.834 1.00 0.00 C ATOM 1876 CG2 VAL A 115 121.074 -2.163 -1.309 1.00 0.00 C ATOM 0 H VAL A 115 122.230 -4.307 0.488 1.00 0.00 H new ATOM 0 HA VAL A 115 119.330 -4.090 -0.260 1.00 0.00 H new ATOM 0 HB VAL A 115 121.783 -4.053 -2.065 1.00 0.00 H new ATOM 0 HG11 VAL A 115 120.166 -3.117 -3.695 1.00 0.00 H new ATOM 0 HG12 VAL A 115 119.642 -4.719 -3.123 1.00 0.00 H new ATOM 0 HG13 VAL A 115 118.869 -3.249 -2.484 1.00 0.00 H new ATOM 0 HG21 VAL A 115 121.433 -1.598 -2.169 1.00 0.00 H new ATOM 0 HG22 VAL A 115 120.136 -1.732 -0.958 1.00 0.00 H new ATOM 0 HG23 VAL A 115 121.815 -2.119 -0.511 1.00 0.00 H new ATOM 1886 N ILE A 116 119.214 -6.550 -0.643 1.00 0.00 N ATOM 1887 CA ILE A 116 119.128 -8.009 -0.940 1.00 0.00 C ATOM 1888 C ILE A 116 118.929 -8.221 -2.441 1.00 0.00 C ATOM 1889 O ILE A 116 119.783 -8.758 -3.119 1.00 0.00 O ATOM 1890 CB ILE A 116 117.943 -8.614 -0.185 1.00 0.00 C ATOM 1891 CG1 ILE A 116 117.961 -8.120 1.260 1.00 0.00 C ATOM 1892 CG2 ILE A 116 118.049 -10.140 -0.204 1.00 0.00 C ATOM 1893 CD1 ILE A 116 116.888 -8.852 2.069 1.00 0.00 C ATOM 0 H ILE A 116 118.354 -6.129 -0.292 1.00 0.00 H new ATOM 0 HA ILE A 116 120.052 -8.493 -0.625 1.00 0.00 H new ATOM 0 HB ILE A 116 117.012 -8.311 -0.664 1.00 0.00 H new ATOM 0 HG12 ILE A 116 118.943 -8.292 1.701 1.00 0.00 H new ATOM 0 HG13 ILE A 116 117.782 -7.045 1.289 1.00 0.00 H new ATOM 0 HG21 ILE A 116 117.204 -10.570 0.334 1.00 0.00 H new ATOM 0 HG22 ILE A 116 118.040 -10.493 -1.235 1.00 0.00 H new ATOM 0 HG23 ILE A 116 118.979 -10.446 0.276 1.00 0.00 H new ATOM 0 HD11 ILE A 116 116.904 -8.497 3.099 1.00 0.00 H new ATOM 0 HD12 ILE A 116 115.908 -8.658 1.633 1.00 0.00 H new ATOM 0 HD13 ILE A 116 117.087 -9.924 2.051 1.00 0.00 H new ATOM 1905 N GLU A 117 117.806 -7.814 -2.966 1.00 0.00 N ATOM 1906 CA GLU A 117 117.560 -8.008 -4.423 1.00 0.00 C ATOM 1907 C GLU A 117 116.806 -6.803 -4.993 1.00 0.00 C ATOM 1908 O GLU A 117 116.624 -5.801 -4.331 1.00 0.00 O ATOM 1909 CB GLU A 117 116.727 -9.274 -4.632 1.00 0.00 C ATOM 1910 CG GLU A 117 117.614 -10.384 -5.196 1.00 0.00 C ATOM 1911 CD GLU A 117 117.222 -10.661 -6.649 1.00 0.00 C ATOM 1912 OE1 GLU A 117 117.714 -9.960 -7.517 1.00 0.00 O ATOM 1913 OE2 GLU A 117 116.437 -11.569 -6.867 1.00 0.00 O ATOM 0 H GLU A 117 117.052 -7.358 -2.453 1.00 0.00 H new ATOM 0 HA GLU A 117 118.516 -8.106 -4.937 1.00 0.00 H new ATOM 0 HB2 GLU A 117 116.286 -9.592 -3.687 1.00 0.00 H new ATOM 0 HB3 GLU A 117 115.903 -9.070 -5.316 1.00 0.00 H new ATOM 0 HG2 GLU A 117 118.662 -10.090 -5.141 1.00 0.00 H new ATOM 0 HG3 GLU A 117 117.505 -11.290 -4.600 1.00 0.00 H new ATOM 1920 N GLU A 118 116.368 -6.897 -6.220 1.00 0.00 N ATOM 1921 CA GLU A 118 115.628 -5.763 -6.841 1.00 0.00 C ATOM 1922 C GLU A 118 115.151 -6.168 -8.238 1.00 0.00 C ATOM 1923 O GLU A 118 115.376 -7.276 -8.683 1.00 0.00 O ATOM 1924 CB GLU A 118 116.546 -4.540 -6.946 1.00 0.00 C ATOM 1925 CG GLU A 118 118.005 -4.992 -7.057 1.00 0.00 C ATOM 1926 CD GLU A 118 118.115 -6.120 -8.086 1.00 0.00 C ATOM 1927 OE1 GLU A 118 117.694 -5.913 -9.211 1.00 0.00 O ATOM 1928 OE2 GLU A 118 118.618 -7.173 -7.728 1.00 0.00 O ATOM 0 H GLU A 118 116.492 -7.713 -6.820 1.00 0.00 H new ATOM 0 HA GLU A 118 114.767 -5.513 -6.221 1.00 0.00 H new ATOM 0 HB2 GLU A 118 116.274 -3.944 -7.817 1.00 0.00 H new ATOM 0 HB3 GLU A 118 116.419 -3.903 -6.071 1.00 0.00 H new ATOM 0 HG2 GLU A 118 118.635 -4.153 -7.353 1.00 0.00 H new ATOM 0 HG3 GLU A 118 118.365 -5.334 -6.087 1.00 0.00 H new ATOM 1935 N SER A 119 114.489 -5.281 -8.931 1.00 0.00 N ATOM 1936 CA SER A 119 113.993 -5.621 -10.295 1.00 0.00 C ATOM 1937 C SER A 119 114.720 -4.772 -11.343 1.00 0.00 C ATOM 1938 O SER A 119 114.725 -5.090 -12.516 1.00 0.00 O ATOM 1939 CB SER A 119 112.491 -5.345 -10.372 1.00 0.00 C ATOM 1940 OG SER A 119 111.815 -6.530 -10.772 1.00 0.00 O ATOM 0 H SER A 119 114.271 -4.337 -8.612 1.00 0.00 H new ATOM 0 HA SER A 119 114.185 -6.676 -10.493 1.00 0.00 H new ATOM 0 HB2 SER A 119 112.121 -5.011 -9.403 1.00 0.00 H new ATOM 0 HB3 SER A 119 112.293 -4.542 -11.082 1.00 0.00 H new ATOM 0 HG SER A 119 110.852 -6.357 -10.821 1.00 0.00 H new ATOM 1946 N LEU A 120 115.334 -3.696 -10.934 1.00 0.00 N ATOM 1947 CA LEU A 120 116.056 -2.837 -11.916 1.00 0.00 C ATOM 1948 C LEU A 120 117.460 -3.406 -12.149 1.00 0.00 C ATOM 1949 O LEU A 120 118.021 -4.039 -11.278 1.00 0.00 O ATOM 1950 CB LEU A 120 116.163 -1.410 -11.371 1.00 0.00 C ATOM 1951 CG LEU A 120 114.904 -0.624 -11.745 1.00 0.00 C ATOM 1952 CD1 LEU A 120 114.835 0.671 -10.924 1.00 0.00 C ATOM 1953 CD2 LEU A 120 114.949 -0.277 -13.235 1.00 0.00 C ATOM 0 H LEU A 120 115.367 -3.375 -9.966 1.00 0.00 H new ATOM 0 HA LEU A 120 115.508 -2.820 -12.858 1.00 0.00 H new ATOM 0 HB2 LEU A 120 116.283 -1.431 -10.288 1.00 0.00 H new ATOM 0 HB3 LEU A 120 117.046 -0.919 -11.780 1.00 0.00 H new ATOM 0 HG LEU A 120 114.024 -1.231 -11.533 1.00 0.00 H new ATOM 0 HD11 LEU A 120 113.937 1.226 -11.195 1.00 0.00 H new ATOM 0 HD12 LEU A 120 114.805 0.427 -9.862 1.00 0.00 H new ATOM 0 HD13 LEU A 120 115.714 1.281 -11.131 1.00 0.00 H new ATOM 0 HD21 LEU A 120 114.054 0.283 -13.505 1.00 0.00 H new ATOM 0 HD22 LEU A 120 115.832 0.328 -13.441 1.00 0.00 H new ATOM 0 HD23 LEU A 120 114.994 -1.195 -13.821 1.00 0.00 H new ATOM 1965 N PRO A 121 117.983 -3.162 -13.323 1.00 0.00 N ATOM 1966 CA PRO A 121 119.323 -3.639 -13.707 1.00 0.00 C ATOM 1967 C PRO A 121 120.401 -2.770 -13.052 1.00 0.00 C ATOM 1968 O PRO A 121 121.543 -3.168 -12.931 1.00 0.00 O ATOM 1969 CB PRO A 121 119.336 -3.485 -15.231 1.00 0.00 C ATOM 1970 CG PRO A 121 118.258 -2.429 -15.572 1.00 0.00 C ATOM 1971 CD PRO A 121 117.291 -2.387 -14.374 1.00 0.00 C ATOM 0 HA PRO A 121 119.527 -4.662 -13.391 1.00 0.00 H new ATOM 0 HB2 PRO A 121 120.318 -3.165 -15.581 1.00 0.00 H new ATOM 0 HB3 PRO A 121 119.118 -4.435 -15.719 1.00 0.00 H new ATOM 0 HG2 PRO A 121 118.711 -1.452 -15.739 1.00 0.00 H new ATOM 0 HG3 PRO A 121 117.730 -2.696 -16.487 1.00 0.00 H new ATOM 0 HD2 PRO A 121 117.099 -1.363 -14.053 1.00 0.00 H new ATOM 0 HD3 PRO A 121 116.327 -2.829 -14.625 1.00 0.00 H new ATOM 1979 N GLY A 122 120.046 -1.589 -12.624 1.00 0.00 N ATOM 1980 CA GLY A 122 121.046 -0.698 -11.970 1.00 0.00 C ATOM 1981 C GLY A 122 120.552 -0.327 -10.571 1.00 0.00 C ATOM 1982 O GLY A 122 121.327 -0.142 -9.654 1.00 0.00 O ATOM 0 H GLY A 122 119.105 -1.202 -12.699 1.00 0.00 H new ATOM 0 HA2 GLY A 122 122.011 -1.200 -11.906 1.00 0.00 H new ATOM 0 HA3 GLY A 122 121.194 0.202 -12.567 1.00 0.00 H new ATOM 1986 N GLY A 123 119.262 -0.219 -10.403 1.00 0.00 N ATOM 1987 CA GLY A 123 118.704 0.139 -9.067 1.00 0.00 C ATOM 1988 C GLY A 123 117.827 1.383 -9.198 1.00 0.00 C ATOM 1989 O GLY A 123 117.096 1.535 -10.151 1.00 0.00 O ATOM 0 H GLY A 123 118.568 -0.364 -11.136 1.00 0.00 H new ATOM 0 HA2 GLY A 123 118.119 -0.691 -8.671 1.00 0.00 H new ATOM 0 HA3 GLY A 123 119.513 0.324 -8.361 1.00 0.00 H new ATOM 1993 N LEU A 124 117.884 2.269 -8.245 1.00 0.00 N ATOM 1994 CA LEU A 124 117.039 3.496 -8.316 1.00 0.00 C ATOM 1995 C LEU A 124 117.909 4.753 -8.322 1.00 0.00 C ATOM 1996 O LEU A 124 118.629 5.020 -7.384 1.00 0.00 O ATOM 1997 CB LEU A 124 116.122 3.538 -7.103 1.00 0.00 C ATOM 1998 CG LEU A 124 114.656 3.572 -7.538 1.00 0.00 C ATOM 1999 CD1 LEU A 124 114.395 2.576 -8.671 1.00 0.00 C ATOM 2000 CD2 LEU A 124 113.781 3.209 -6.341 1.00 0.00 C ATOM 0 H LEU A 124 118.479 2.198 -7.419 1.00 0.00 H new ATOM 0 HA LEU A 124 116.456 3.466 -9.236 1.00 0.00 H new ATOM 0 HB2 LEU A 124 116.301 2.665 -6.475 1.00 0.00 H new ATOM 0 HB3 LEU A 124 116.348 4.417 -6.499 1.00 0.00 H new ATOM 0 HG LEU A 124 114.420 4.573 -7.899 1.00 0.00 H new ATOM 0 HD11 LEU A 124 113.345 2.621 -8.961 1.00 0.00 H new ATOM 0 HD12 LEU A 124 115.019 2.828 -9.528 1.00 0.00 H new ATOM 0 HD13 LEU A 124 114.635 1.568 -8.332 1.00 0.00 H new ATOM 0 HD21 LEU A 124 112.732 3.229 -6.637 1.00 0.00 H new ATOM 0 HD22 LEU A 124 114.040 2.210 -5.991 1.00 0.00 H new ATOM 0 HD23 LEU A 124 113.945 3.928 -5.539 1.00 0.00 H new ATOM 2012 N LYS A 125 117.826 5.541 -9.362 1.00 0.00 N ATOM 2013 CA LYS A 125 118.631 6.796 -9.414 1.00 0.00 C ATOM 2014 C LYS A 125 118.241 7.610 -10.652 1.00 0.00 C ATOM 2015 O LYS A 125 117.223 7.373 -11.270 1.00 0.00 O ATOM 2016 CB LYS A 125 120.127 6.457 -9.465 1.00 0.00 C ATOM 2017 CG LYS A 125 120.778 6.671 -8.087 1.00 0.00 C ATOM 2018 CD LYS A 125 120.309 7.997 -7.476 1.00 0.00 C ATOM 2019 CE LYS A 125 119.338 7.718 -6.321 1.00 0.00 C ATOM 2020 NZ LYS A 125 119.916 6.673 -5.429 1.00 0.00 N ATOM 0 H LYS A 125 117.236 5.370 -10.176 1.00 0.00 H new ATOM 0 HA LYS A 125 118.431 7.385 -8.519 1.00 0.00 H new ATOM 0 HB2 LYS A 125 120.260 5.422 -9.779 1.00 0.00 H new ATOM 0 HB3 LYS A 125 120.622 7.082 -10.208 1.00 0.00 H new ATOM 0 HG2 LYS A 125 120.520 5.846 -7.423 1.00 0.00 H new ATOM 0 HG3 LYS A 125 121.863 6.673 -8.186 1.00 0.00 H new ATOM 0 HD2 LYS A 125 121.166 8.565 -7.114 1.00 0.00 H new ATOM 0 HD3 LYS A 125 119.820 8.606 -8.236 1.00 0.00 H new ATOM 0 HE2 LYS A 125 119.155 8.632 -5.757 1.00 0.00 H new ATOM 0 HE3 LYS A 125 118.376 7.386 -6.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 119.610 6.844 -4.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 119.588 5.735 -5.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 120.954 6.710 -5.479 1.00 0.00 H new ATOM 2034 N GLU A 126 119.040 8.581 -11.006 1.00 0.00 N ATOM 2035 CA GLU A 126 118.720 9.430 -12.191 1.00 0.00 C ATOM 2036 C GLU A 126 118.314 8.557 -13.382 1.00 0.00 C ATOM 2037 O GLU A 126 117.609 8.997 -14.269 1.00 0.00 O ATOM 2038 CB GLU A 126 119.951 10.255 -12.568 1.00 0.00 C ATOM 2039 CG GLU A 126 121.214 9.425 -12.326 1.00 0.00 C ATOM 2040 CD GLU A 126 122.381 10.028 -13.110 1.00 0.00 C ATOM 2041 OE1 GLU A 126 122.348 9.959 -14.329 1.00 0.00 O ATOM 2042 OE2 GLU A 126 123.287 10.548 -12.480 1.00 0.00 O ATOM 0 H GLU A 126 119.905 8.824 -10.523 1.00 0.00 H new ATOM 0 HA GLU A 126 117.890 10.089 -11.938 1.00 0.00 H new ATOM 0 HB2 GLU A 126 119.895 10.555 -13.614 1.00 0.00 H new ATOM 0 HB3 GLU A 126 119.985 11.169 -11.976 1.00 0.00 H new ATOM 0 HG2 GLU A 126 121.450 9.404 -11.262 1.00 0.00 H new ATOM 0 HG3 GLU A 126 121.049 8.393 -12.636 1.00 0.00 H new ATOM 2049 N HIS A 127 118.757 7.332 -13.420 1.00 0.00 N ATOM 2050 CA HIS A 127 118.397 6.450 -14.569 1.00 0.00 C ATOM 2051 C HIS A 127 116.920 6.053 -14.479 1.00 0.00 C ATOM 2052 O HIS A 127 116.209 6.057 -15.464 1.00 0.00 O ATOM 2053 CB HIS A 127 119.270 5.195 -14.542 1.00 0.00 C ATOM 2054 CG HIS A 127 118.976 4.405 -13.300 1.00 0.00 C ATOM 2055 ND1 HIS A 127 119.778 4.474 -12.172 1.00 0.00 N ATOM 2056 CD2 HIS A 127 117.969 3.525 -12.991 1.00 0.00 C ATOM 2057 CE1 HIS A 127 119.245 3.658 -11.246 1.00 0.00 C ATOM 2058 NE2 HIS A 127 118.141 3.055 -11.694 1.00 0.00 N ATOM 0 H HIS A 127 119.350 6.903 -12.710 1.00 0.00 H new ATOM 0 HA HIS A 127 118.564 6.989 -15.502 1.00 0.00 H new ATOM 0 HB2 HIS A 127 119.078 4.587 -15.426 1.00 0.00 H new ATOM 0 HB3 HIS A 127 120.324 5.472 -14.568 1.00 0.00 H new ATOM 0 HD2 HIS A 127 117.165 3.241 -13.654 1.00 0.00 H new ATOM 0 HE1 HIS A 127 119.659 3.508 -10.260 1.00 0.00 H new ATOM 0 HE2 HIS A 127 117.551 2.392 -11.192 1.00 0.00 H new ATOM 2066 N ASP A 128 116.449 5.709 -13.310 1.00 0.00 N ATOM 2067 CA ASP A 128 115.017 5.311 -13.175 1.00 0.00 C ATOM 2068 C ASP A 128 114.175 6.530 -12.801 1.00 0.00 C ATOM 2069 O ASP A 128 113.269 6.916 -13.513 1.00 0.00 O ATOM 2070 CB ASP A 128 114.877 4.247 -12.086 1.00 0.00 C ATOM 2071 CG ASP A 128 114.248 2.987 -12.683 1.00 0.00 C ATOM 2072 OD1 ASP A 128 114.788 2.483 -13.655 1.00 0.00 O ATOM 2073 OD2 ASP A 128 113.238 2.547 -12.159 1.00 0.00 O ATOM 0 H ASP A 128 116.991 5.686 -12.446 1.00 0.00 H new ATOM 0 HA ASP A 128 114.669 4.907 -14.126 1.00 0.00 H new ATOM 0 HB2 ASP A 128 115.854 4.013 -11.663 1.00 0.00 H new ATOM 0 HB3 ASP A 128 114.259 4.624 -11.271 1.00 0.00 H new ATOM 2078 N PHE A 129 114.464 7.135 -11.686 1.00 0.00 N ATOM 2079 CA PHE A 129 113.678 8.327 -11.260 1.00 0.00 C ATOM 2080 C PHE A 129 114.171 9.559 -12.021 1.00 0.00 C ATOM 2081 O PHE A 129 115.027 9.470 -12.879 1.00 0.00 O ATOM 2082 CB PHE A 129 113.861 8.548 -9.756 1.00 0.00 C ATOM 2083 CG PHE A 129 113.294 7.373 -8.983 1.00 0.00 C ATOM 2084 CD1 PHE A 129 112.479 6.426 -9.622 1.00 0.00 C ATOM 2085 CD2 PHE A 129 113.583 7.237 -7.620 1.00 0.00 C ATOM 2086 CE1 PHE A 129 111.960 5.350 -8.898 1.00 0.00 C ATOM 2087 CE2 PHE A 129 113.058 6.161 -6.899 1.00 0.00 C ATOM 2088 CZ PHE A 129 112.247 5.218 -7.539 1.00 0.00 C ATOM 0 H PHE A 129 115.211 6.857 -11.049 1.00 0.00 H new ATOM 0 HA PHE A 129 112.622 8.164 -11.477 1.00 0.00 H new ATOM 0 HB2 PHE A 129 114.919 8.669 -9.525 1.00 0.00 H new ATOM 0 HB3 PHE A 129 113.361 9.468 -9.452 1.00 0.00 H new ATOM 0 HD1 PHE A 129 112.253 6.529 -10.673 1.00 0.00 H new ATOM 0 HD2 PHE A 129 114.211 7.963 -7.126 1.00 0.00 H new ATOM 0 HE1 PHE A 129 111.336 4.619 -9.391 1.00 0.00 H new ATOM 0 HE2 PHE A 129 113.279 6.058 -5.847 1.00 0.00 H new ATOM 0 HZ PHE A 129 111.843 4.387 -6.981 1.00 0.00 H new ATOM 2098 N ASN A 130 113.635 10.709 -11.716 1.00 0.00 N ATOM 2099 CA ASN A 130 114.072 11.945 -12.425 1.00 0.00 C ATOM 2100 C ASN A 130 114.681 12.924 -11.415 1.00 0.00 C ATOM 2101 O ASN A 130 114.324 12.916 -10.255 1.00 0.00 O ATOM 2102 CB ASN A 130 112.864 12.596 -13.102 1.00 0.00 C ATOM 2103 CG ASN A 130 111.673 12.582 -12.143 1.00 0.00 C ATOM 2104 OD1 ASN A 130 111.536 13.459 -11.312 1.00 0.00 O ATOM 2105 ND2 ASN A 130 110.798 11.617 -12.223 1.00 0.00 N ATOM 0 H ASN A 130 112.914 10.846 -11.007 1.00 0.00 H new ATOM 0 HA ASN A 130 114.818 11.690 -13.178 1.00 0.00 H new ATOM 0 HB2 ASN A 130 113.102 13.620 -13.388 1.00 0.00 H new ATOM 0 HB3 ASN A 130 112.614 12.060 -14.017 1.00 0.00 H new ATOM 0 HD21 ASN A 130 110.000 11.599 -11.589 1.00 0.00 H new ATOM 0 HD22 ASN A 130 110.913 10.881 -12.920 1.00 0.00 H new ATOM 2112 N PRO A 131 115.585 13.740 -11.893 1.00 0.00 N ATOM 2113 CA PRO A 131 116.268 14.743 -11.058 1.00 0.00 C ATOM 2114 C PRO A 131 115.352 15.946 -10.820 1.00 0.00 C ATOM 2115 O PRO A 131 114.234 15.991 -11.295 1.00 0.00 O ATOM 2116 CB PRO A 131 117.486 15.138 -11.898 1.00 0.00 C ATOM 2117 CG PRO A 131 117.140 14.784 -13.365 1.00 0.00 C ATOM 2118 CD PRO A 131 116.009 13.739 -13.309 1.00 0.00 C ATOM 0 HA PRO A 131 116.542 14.370 -10.071 1.00 0.00 H new ATOM 0 HB2 PRO A 131 117.700 16.202 -11.795 1.00 0.00 H new ATOM 0 HB3 PRO A 131 118.375 14.601 -11.569 1.00 0.00 H new ATOM 0 HG2 PRO A 131 116.822 15.671 -13.913 1.00 0.00 H new ATOM 0 HG3 PRO A 131 118.012 14.385 -13.883 1.00 0.00 H new ATOM 0 HD2 PRO A 131 115.186 14.007 -13.971 1.00 0.00 H new ATOM 0 HD3 PRO A 131 116.360 12.755 -13.619 1.00 0.00 H new ATOM 2126 N GLU A 132 115.816 16.923 -10.090 1.00 0.00 N ATOM 2127 CA GLU A 132 114.970 18.119 -9.826 1.00 0.00 C ATOM 2128 C GLU A 132 115.558 19.328 -10.555 1.00 0.00 C ATOM 2129 O GLU A 132 116.715 19.339 -10.925 1.00 0.00 O ATOM 2130 CB GLU A 132 114.931 18.396 -8.321 1.00 0.00 C ATOM 2131 CG GLU A 132 114.116 17.305 -7.622 1.00 0.00 C ATOM 2132 CD GLU A 132 112.862 17.923 -7.001 1.00 0.00 C ATOM 2133 OE1 GLU A 132 113.006 18.691 -6.064 1.00 0.00 O ATOM 2134 OE2 GLU A 132 111.780 17.617 -7.473 1.00 0.00 O ATOM 0 H GLU A 132 116.743 16.944 -9.666 1.00 0.00 H new ATOM 0 HA GLU A 132 113.957 17.936 -10.185 1.00 0.00 H new ATOM 0 HB2 GLU A 132 115.944 18.422 -7.919 1.00 0.00 H new ATOM 0 HB3 GLU A 132 114.488 19.374 -8.132 1.00 0.00 H new ATOM 0 HG2 GLU A 132 113.837 16.531 -8.337 1.00 0.00 H new ATOM 0 HG3 GLU A 132 114.718 16.825 -6.850 1.00 0.00 H new ATOM 2141 N SER A 133 114.770 20.346 -10.767 1.00 0.00 N ATOM 2142 CA SER A 133 115.286 21.551 -11.476 1.00 0.00 C ATOM 2143 C SER A 133 115.318 22.738 -10.510 1.00 0.00 C ATOM 2144 O SER A 133 114.472 22.874 -9.649 1.00 0.00 O ATOM 2145 CB SER A 133 114.370 21.878 -12.655 1.00 0.00 C ATOM 2146 OG SER A 133 113.151 22.423 -12.166 1.00 0.00 O ATOM 0 H SER A 133 113.792 20.396 -10.480 1.00 0.00 H new ATOM 0 HA SER A 133 116.294 21.354 -11.842 1.00 0.00 H new ATOM 0 HB2 SER A 133 114.857 22.588 -13.323 1.00 0.00 H new ATOM 0 HB3 SER A 133 114.172 20.978 -13.237 1.00 0.00 H new ATOM 0 HG SER A 133 112.562 22.635 -12.920 1.00 0.00 H new ATOM 2152 N SER A 134 116.291 23.598 -10.647 1.00 0.00 N ATOM 2153 CA SER A 134 116.379 24.775 -9.737 1.00 0.00 C ATOM 2154 C SER A 134 116.729 24.304 -8.324 1.00 0.00 C ATOM 2155 O SER A 134 115.896 24.457 -7.446 1.00 0.00 O ATOM 2156 CB SER A 134 115.033 25.501 -9.713 1.00 0.00 C ATOM 2157 OG SER A 134 115.231 26.845 -9.294 1.00 0.00 O ATOM 2158 OXT SER A 134 117.826 23.801 -8.145 1.00 0.00 O ATOM 0 H SER A 134 117.028 23.536 -11.349 1.00 0.00 H new ATOM 0 HA SER A 134 117.153 25.454 -10.095 1.00 0.00 H new ATOM 0 HB2 SER A 134 114.578 25.480 -10.703 1.00 0.00 H new ATOM 0 HB3 SER A 134 114.346 24.994 -9.036 1.00 0.00 H new ATOM 0 HG SER A 134 114.370 27.313 -9.279 1.00 0.00 H new TER 2164 SER A 134