USER MOD reduce.3.24.130724 H: found=0, std=0, add=927, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 925 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 102 MET CE :methyl -124:sc= -0.0752 (180deg=-3.04!) USER MOD Set 1.2: A 106 TYR OH : rot -34:sc= 0.659 USER MOD Set 2.1: A 69 ASN : amide:sc= -1.68! K(o=-3.2!,f=-3.8) USER MOD Set 2.2: A 73 TYR OH : rot 107:sc= 0.794 USER MOD Set 2.3: A 90 MET CE :methyl -169:sc= -2.33 (180deg=-2.64) USER MOD Set 3.1: A 31 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 32 ASN : amide:sc= -4.82! C(o=-4.8!,f=-4.9!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 ASN :FLIP amide:sc= -2.02 F(o=-4.2!,f=-2) USER MOD Single : A 11 SER OG : rot 180:sc=-0.00425 USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 SER OG : rot -160:sc= 0 USER MOD Single : A 18 CYS SG : rot -73:sc= -1.46! USER MOD Single : A 19 LYS NZ :NH3+ 159:sc= -0.0356 (180deg=-0.278) USER MOD Single : A 22 THR OG1 : rot -101:sc= 0.751 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= -0.286 X(o=-0.29,f=0) USER MOD Single : A 25 TYR OH : rot 119:sc= -1.04 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0.195 USER MOD Single : A 35 THR OG1 : rot 180:sc= -0.124 USER MOD Single : A 36 SER OG : rot -100:sc= 0 USER MOD Single : A 39 ASN : amide:sc= -0.163 K(o=-0.16,f=-8.2!) USER MOD Single : A 42 SER OG : rot 150:sc= 0 USER MOD Single : A 44 CYS SG : rot 79:sc= -2.1 USER MOD Single : A 48 HIS :FLIP no HD1:sc= -3.75 F(o=-5.4!,f=-3.8) USER MOD Single : A 49 HIS :FLIP no HD1:sc= -2.46 F(o=-3!,f=-2.5) USER MOD Single : A 57 TYR OH : rot 150:sc= -0.544 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 SER OG : rot -54:sc= 0.0802 USER MOD Single : A 61 ASN :FLIP amide:sc= -1.93! C(o=-2.6!,f=-1.9!) USER MOD Single : A 63 GLN : amide:sc= -13! C(o=-13!,f=-18!) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 ASN : amide:sc= -0.129 K(o=-0.13,f=-2.5) USER MOD Single : A 70 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0186) USER MOD Single : A 71 LYS NZ :NH3+ -178:sc= -0.0305 (180deg=-0.0437) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 THR OG1 : rot -170:sc= -0.379 USER MOD Single : A 103 THR OG1 : rot 83:sc= 1.25 USER MOD Single : A 104 TYR OH : rot -119:sc= -0.109 USER MOD Single : A 107 GLN : amide:sc= -0.386 K(o=-0.39,f=-3.8!) USER MOD Single : A 111 HIS : no HD1:sc= -1.7 X(o=-1.7,f=-2.1!) USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 114 SER OG : rot -56:sc= 0.0395 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -0.904 -14.084 -16.688 1.00 0.00 N ATOM 2 CA GLY A 1 -0.717 -14.966 -17.825 1.00 0.00 C ATOM 3 C GLY A 1 0.746 -15.193 -18.149 1.00 0.00 C ATOM 4 O GLY A 1 1.177 -16.330 -18.341 1.00 0.00 O ATOM 0 H1 GLY A 1 -1.921 -13.961 -16.508 1.00 0.00 H new ATOM 0 H2 GLY A 1 -0.451 -14.499 -15.849 1.00 0.00 H new ATOM 0 H3 GLY A 1 -0.474 -13.159 -16.892 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -1.193 -15.925 -17.619 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -1.217 -14.542 -18.696 1.00 0.00 H new ATOM 8 N SER A 2 1.512 -14.109 -18.211 1.00 0.00 N ATOM 9 CA SER A 2 2.935 -14.195 -18.519 1.00 0.00 C ATOM 10 C SER A 2 3.727 -14.668 -17.304 1.00 0.00 C ATOM 11 O SER A 2 3.290 -14.508 -16.164 1.00 0.00 O ATOM 12 CB SER A 2 3.460 -12.836 -18.987 1.00 0.00 C ATOM 13 OG SER A 2 4.791 -12.940 -19.463 1.00 0.00 O ATOM 0 H SER A 2 1.171 -13.161 -18.052 1.00 0.00 H new ATOM 0 HA SER A 2 3.065 -14.922 -19.320 1.00 0.00 H new ATOM 0 HB2 SER A 2 2.817 -12.447 -19.777 1.00 0.00 H new ATOM 0 HB3 SER A 2 3.420 -12.124 -18.163 1.00 0.00 H new ATOM 0 HG SER A 2 5.103 -12.059 -19.758 1.00 0.00 H new ATOM 19 N SER A 3 4.894 -15.251 -17.556 1.00 0.00 N ATOM 20 CA SER A 3 5.746 -15.751 -16.484 1.00 0.00 C ATOM 21 C SER A 3 7.199 -15.344 -16.710 1.00 0.00 C ATOM 22 O SER A 3 7.870 -15.865 -17.601 1.00 0.00 O ATOM 23 CB SER A 3 5.640 -17.275 -16.388 1.00 0.00 C ATOM 24 OG SER A 3 4.377 -17.667 -15.881 1.00 0.00 O ATOM 0 H SER A 3 5.271 -15.389 -18.494 1.00 0.00 H new ATOM 0 HA SER A 3 5.405 -15.311 -15.547 1.00 0.00 H new ATOM 0 HB2 SER A 3 5.793 -17.716 -17.373 1.00 0.00 H new ATOM 0 HB3 SER A 3 6.430 -17.658 -15.741 1.00 0.00 H new ATOM 0 HG SER A 3 4.334 -18.645 -15.831 1.00 0.00 H new ATOM 30 N GLY A 4 7.679 -14.409 -15.896 1.00 0.00 N ATOM 31 CA GLY A 4 9.049 -13.947 -16.023 1.00 0.00 C ATOM 32 C GLY A 4 9.593 -13.384 -14.725 1.00 0.00 C ATOM 33 O GLY A 4 8.896 -12.661 -14.013 1.00 0.00 O ATOM 0 H GLY A 4 7.144 -13.963 -15.151 1.00 0.00 H new ATOM 0 HA2 GLY A 4 9.679 -14.774 -16.349 1.00 0.00 H new ATOM 0 HA3 GLY A 4 9.101 -13.182 -16.798 1.00 0.00 H new ATOM 37 N SER A 5 10.842 -13.717 -14.415 1.00 0.00 N ATOM 38 CA SER A 5 11.478 -13.244 -13.191 1.00 0.00 C ATOM 39 C SER A 5 12.533 -12.186 -13.500 1.00 0.00 C ATOM 40 O SER A 5 13.563 -12.479 -14.107 1.00 0.00 O ATOM 41 CB SER A 5 12.117 -14.413 -12.438 1.00 0.00 C ATOM 42 OG SER A 5 11.176 -15.051 -11.593 1.00 0.00 O ATOM 0 H SER A 5 11.433 -14.312 -14.995 1.00 0.00 H new ATOM 0 HA SER A 5 10.710 -12.793 -12.563 1.00 0.00 H new ATOM 0 HB2 SER A 5 12.517 -15.134 -13.151 1.00 0.00 H new ATOM 0 HB3 SER A 5 12.957 -14.052 -11.845 1.00 0.00 H new ATOM 0 HG SER A 5 11.609 -15.795 -11.125 1.00 0.00 H new ATOM 48 N SER A 6 12.267 -10.954 -13.078 1.00 0.00 N ATOM 49 CA SER A 6 13.190 -9.850 -13.313 1.00 0.00 C ATOM 50 C SER A 6 14.170 -9.705 -12.153 1.00 0.00 C ATOM 51 O SER A 6 15.384 -9.677 -12.350 1.00 0.00 O ATOM 52 CB SER A 6 12.418 -8.544 -13.509 1.00 0.00 C ATOM 53 OG SER A 6 11.979 -8.407 -14.850 1.00 0.00 O ATOM 0 H SER A 6 11.420 -10.695 -12.572 1.00 0.00 H new ATOM 0 HA SER A 6 13.755 -10.069 -14.219 1.00 0.00 H new ATOM 0 HB2 SER A 6 11.559 -8.521 -12.838 1.00 0.00 H new ATOM 0 HB3 SER A 6 13.053 -7.699 -13.243 1.00 0.00 H new ATOM 0 HG SER A 6 11.487 -7.565 -14.949 1.00 0.00 H new ATOM 59 N GLY A 7 13.632 -9.613 -10.940 1.00 0.00 N ATOM 60 CA GLY A 7 14.472 -9.472 -9.765 1.00 0.00 C ATOM 61 C GLY A 7 14.091 -8.272 -8.921 1.00 0.00 C ATOM 62 O GLY A 7 13.464 -7.326 -9.396 1.00 0.00 O ATOM 0 H GLY A 7 12.630 -9.634 -10.751 1.00 0.00 H new ATOM 0 HA2 GLY A 7 14.400 -10.376 -9.160 1.00 0.00 H new ATOM 0 HA3 GLY A 7 15.513 -9.379 -10.075 1.00 0.00 H new ATOM 66 N PRO A 8 14.473 -8.303 -7.635 1.00 0.00 N ATOM 67 CA PRO A 8 14.177 -7.218 -6.695 1.00 0.00 C ATOM 68 C PRO A 8 14.970 -5.953 -7.002 1.00 0.00 C ATOM 69 O PRO A 8 16.152 -5.856 -6.677 1.00 0.00 O ATOM 70 CB PRO A 8 14.596 -7.797 -5.341 1.00 0.00 C ATOM 71 CG PRO A 8 15.624 -8.823 -5.671 1.00 0.00 C ATOM 72 CD PRO A 8 15.223 -9.400 -7.000 1.00 0.00 C ATOM 0 HA PRO A 8 13.131 -6.915 -6.739 1.00 0.00 H new ATOM 0 HB2 PRO A 8 15.003 -7.024 -4.689 1.00 0.00 H new ATOM 0 HB3 PRO A 8 13.747 -8.240 -4.820 1.00 0.00 H new ATOM 0 HG2 PRO A 8 16.617 -8.377 -5.723 1.00 0.00 H new ATOM 0 HG3 PRO A 8 15.662 -9.598 -4.905 1.00 0.00 H new ATOM 0 HD2 PRO A 8 16.092 -9.688 -7.592 1.00 0.00 H new ATOM 0 HD3 PRO A 8 14.608 -10.292 -6.882 1.00 0.00 H new ATOM 80 N ASN A 9 14.311 -4.984 -7.630 1.00 0.00 N ATOM 81 CA ASN A 9 14.956 -3.724 -7.981 1.00 0.00 C ATOM 82 C ASN A 9 14.994 -2.781 -6.782 1.00 0.00 C ATOM 83 O ASN A 9 14.604 -3.151 -5.675 1.00 0.00 O ATOM 84 CB ASN A 9 14.220 -3.057 -9.145 1.00 0.00 C ATOM 85 CG ASN A 9 15.143 -2.221 -10.009 1.00 0.00 C ATOM 86 OD1 ASN A 9 15.046 -0.903 -9.875 1.00 0.00 O flip ATOM 87 ND2 ASN A 9 15.934 -2.753 -10.788 1.00 0.00 N flip ATOM 0 H ASN A 9 13.331 -5.047 -7.906 1.00 0.00 H new ATOM 0 HA ASN A 9 15.980 -3.941 -8.284 1.00 0.00 H new ATOM 0 HB2 ASN A 9 13.747 -3.823 -9.759 1.00 0.00 H new ATOM 0 HB3 ASN A 9 13.423 -2.426 -8.753 1.00 0.00 H new ATOM 0 HD21 ASN A 9 15.975 -3.770 -10.858 1.00 0.00 H new ATOM 0 HD22 ASN A 9 16.549 -2.177 -11.363 1.00 0.00 H new ATOM 94 N ALA A 10 15.467 -1.560 -7.012 1.00 0.00 N ATOM 95 CA ALA A 10 15.555 -0.563 -5.952 1.00 0.00 C ATOM 96 C ALA A 10 14.269 0.251 -5.857 1.00 0.00 C ATOM 97 O ALA A 10 13.585 0.232 -4.834 1.00 0.00 O ATOM 98 CB ALA A 10 16.746 0.354 -6.188 1.00 0.00 C ATOM 0 H ALA A 10 15.795 -1.238 -7.923 1.00 0.00 H new ATOM 0 HA ALA A 10 15.695 -1.085 -5.006 1.00 0.00 H new ATOM 0 HB1 ALA A 10 16.800 1.094 -5.389 1.00 0.00 H new ATOM 0 HB2 ALA A 10 17.663 -0.236 -6.199 1.00 0.00 H new ATOM 0 HB3 ALA A 10 16.630 0.862 -7.145 1.00 0.00 H new ATOM 104 N SER A 11 13.946 0.967 -6.930 1.00 0.00 N ATOM 105 CA SER A 11 12.744 1.792 -6.965 1.00 0.00 C ATOM 106 C SER A 11 11.610 1.069 -7.686 1.00 0.00 C ATOM 107 O SER A 11 10.674 0.580 -7.055 1.00 0.00 O ATOM 108 CB SER A 11 13.035 3.125 -7.658 1.00 0.00 C ATOM 109 OG SER A 11 13.409 2.926 -9.010 1.00 0.00 O ATOM 0 H SER A 11 14.500 0.992 -7.786 1.00 0.00 H new ATOM 0 HA SER A 11 12.435 1.984 -5.938 1.00 0.00 H new ATOM 0 HB2 SER A 11 12.152 3.763 -7.612 1.00 0.00 H new ATOM 0 HB3 SER A 11 13.833 3.647 -7.130 1.00 0.00 H new ATOM 0 HG SER A 11 13.588 3.793 -9.431 1.00 0.00 H new ATOM 115 N GLN A 12 11.704 1.006 -9.010 1.00 0.00 N ATOM 116 CA GLN A 12 10.686 0.344 -9.817 1.00 0.00 C ATOM 117 C GLN A 12 10.182 -0.920 -9.127 1.00 0.00 C ATOM 118 O GLN A 12 9.028 -1.314 -9.298 1.00 0.00 O ATOM 119 CB GLN A 12 11.245 -0.003 -11.198 1.00 0.00 C ATOM 120 CG GLN A 12 12.138 -1.233 -11.201 1.00 0.00 C ATOM 121 CD GLN A 12 12.863 -1.424 -12.519 1.00 0.00 C ATOM 122 OE1 GLN A 12 13.842 -0.735 -12.808 1.00 0.00 O ATOM 123 NE2 GLN A 12 12.385 -2.363 -13.327 1.00 0.00 N ATOM 0 H GLN A 12 12.474 1.405 -9.547 1.00 0.00 H new ATOM 0 HA GLN A 12 9.848 1.031 -9.935 1.00 0.00 H new ATOM 0 HB2 GLN A 12 10.416 -0.165 -11.886 1.00 0.00 H new ATOM 0 HB3 GLN A 12 11.812 0.848 -11.576 1.00 0.00 H new ATOM 0 HG2 GLN A 12 12.869 -1.148 -10.397 1.00 0.00 H new ATOM 0 HG3 GLN A 12 11.535 -2.116 -10.991 1.00 0.00 H new ATOM 0 HE21 GLN A 12 11.571 -2.911 -13.047 1.00 0.00 H new ATOM 0 HE22 GLN A 12 12.832 -2.537 -14.227 1.00 0.00 H new ATOM 132 N SER A 13 11.055 -1.551 -8.348 1.00 0.00 N ATOM 133 CA SER A 13 10.699 -2.773 -7.636 1.00 0.00 C ATOM 134 C SER A 13 9.357 -2.618 -6.927 1.00 0.00 C ATOM 135 O SER A 13 8.470 -3.461 -7.062 1.00 0.00 O ATOM 136 CB SER A 13 11.787 -3.131 -6.621 1.00 0.00 C ATOM 137 OG SER A 13 11.330 -4.118 -5.712 1.00 0.00 O ATOM 0 H SER A 13 12.013 -1.237 -8.194 1.00 0.00 H new ATOM 0 HA SER A 13 10.613 -3.578 -8.366 1.00 0.00 H new ATOM 0 HB2 SER A 13 12.671 -3.495 -7.144 1.00 0.00 H new ATOM 0 HB3 SER A 13 12.086 -2.238 -6.073 1.00 0.00 H new ATOM 0 HG SER A 13 11.889 -4.105 -4.907 1.00 0.00 H new ATOM 143 N LEU A 14 9.216 -1.534 -6.172 1.00 0.00 N ATOM 144 CA LEU A 14 7.983 -1.267 -5.440 1.00 0.00 C ATOM 145 C LEU A 14 6.824 -1.016 -6.400 1.00 0.00 C ATOM 146 O LEU A 14 5.821 -1.730 -6.380 1.00 0.00 O ATOM 147 CB LEU A 14 8.165 -0.061 -4.517 1.00 0.00 C ATOM 148 CG LEU A 14 7.173 0.054 -3.359 1.00 0.00 C ATOM 149 CD1 LEU A 14 7.256 -1.172 -2.462 1.00 0.00 C ATOM 150 CD2 LEU A 14 7.434 1.321 -2.558 1.00 0.00 C ATOM 0 H LEU A 14 9.940 -0.826 -6.051 1.00 0.00 H new ATOM 0 HA LEU A 14 7.749 -2.145 -4.838 1.00 0.00 H new ATOM 0 HB2 LEU A 14 9.173 -0.094 -4.104 1.00 0.00 H new ATOM 0 HB3 LEU A 14 8.097 0.845 -5.119 1.00 0.00 H new ATOM 0 HG LEU A 14 6.166 0.110 -3.772 1.00 0.00 H new ATOM 0 HD11 LEU A 14 6.543 -1.073 -1.643 1.00 0.00 H new ATOM 0 HD12 LEU A 14 7.020 -2.064 -3.042 1.00 0.00 H new ATOM 0 HD13 LEU A 14 8.264 -1.259 -2.057 1.00 0.00 H new ATOM 0 HD21 LEU A 14 6.719 1.387 -1.738 1.00 0.00 H new ATOM 0 HD22 LEU A 14 8.447 1.295 -2.155 1.00 0.00 H new ATOM 0 HD23 LEU A 14 7.324 2.190 -3.206 1.00 0.00 H new ATOM 162 N LEU A 15 6.970 0.002 -7.242 1.00 0.00 N ATOM 163 CA LEU A 15 5.936 0.346 -8.212 1.00 0.00 C ATOM 164 C LEU A 15 5.510 -0.880 -9.012 1.00 0.00 C ATOM 165 O LEU A 15 4.379 -0.960 -9.492 1.00 0.00 O ATOM 166 CB LEU A 15 6.441 1.437 -9.159 1.00 0.00 C ATOM 167 CG LEU A 15 5.365 2.253 -9.877 1.00 0.00 C ATOM 168 CD1 LEU A 15 4.950 3.448 -9.033 1.00 0.00 C ATOM 169 CD2 LEU A 15 5.862 2.707 -11.241 1.00 0.00 C ATOM 0 H LEU A 15 7.794 0.603 -7.272 1.00 0.00 H new ATOM 0 HA LEU A 15 5.070 0.719 -7.666 1.00 0.00 H new ATOM 0 HB2 LEU A 15 7.069 2.122 -8.590 1.00 0.00 H new ATOM 0 HB3 LEU A 15 7.078 0.971 -9.911 1.00 0.00 H new ATOM 0 HG LEU A 15 4.492 1.618 -10.024 1.00 0.00 H new ATOM 0 HD11 LEU A 15 4.184 4.017 -9.560 1.00 0.00 H new ATOM 0 HD12 LEU A 15 4.552 3.100 -8.080 1.00 0.00 H new ATOM 0 HD13 LEU A 15 5.816 4.085 -8.854 1.00 0.00 H new ATOM 0 HD21 LEU A 15 5.084 3.286 -11.738 1.00 0.00 H new ATOM 0 HD22 LEU A 15 6.751 3.325 -11.117 1.00 0.00 H new ATOM 0 HD23 LEU A 15 6.108 1.835 -11.847 1.00 0.00 H new ATOM 181 N VAL A 16 6.423 -1.837 -9.151 1.00 0.00 N ATOM 182 CA VAL A 16 6.141 -3.061 -9.890 1.00 0.00 C ATOM 183 C VAL A 16 5.504 -4.113 -8.989 1.00 0.00 C ATOM 184 O VAL A 16 4.606 -4.843 -9.408 1.00 0.00 O ATOM 185 CB VAL A 16 7.421 -3.646 -10.517 1.00 0.00 C ATOM 186 CG1 VAL A 16 7.111 -4.937 -11.258 1.00 0.00 C ATOM 187 CG2 VAL A 16 8.070 -2.631 -11.446 1.00 0.00 C ATOM 0 H VAL A 16 7.364 -1.787 -8.761 1.00 0.00 H new ATOM 0 HA VAL A 16 5.444 -2.797 -10.685 1.00 0.00 H new ATOM 0 HB VAL A 16 8.125 -3.875 -9.717 1.00 0.00 H new ATOM 0 HG11 VAL A 16 8.027 -5.335 -11.694 1.00 0.00 H new ATOM 0 HG12 VAL A 16 6.694 -5.665 -10.562 1.00 0.00 H new ATOM 0 HG13 VAL A 16 6.389 -4.738 -12.050 1.00 0.00 H new ATOM 0 HG21 VAL A 16 8.973 -3.060 -11.880 1.00 0.00 H new ATOM 0 HG22 VAL A 16 7.373 -2.369 -12.242 1.00 0.00 H new ATOM 0 HG23 VAL A 16 8.330 -1.735 -10.882 1.00 0.00 H new ATOM 197 N TRP A 17 5.975 -4.184 -7.749 1.00 0.00 N ATOM 198 CA TRP A 17 5.451 -5.147 -6.787 1.00 0.00 C ATOM 199 C TRP A 17 3.962 -4.922 -6.548 1.00 0.00 C ATOM 200 O TRP A 17 3.176 -5.870 -6.532 1.00 0.00 O ATOM 201 CB TRP A 17 6.213 -5.046 -5.465 1.00 0.00 C ATOM 202 CG TRP A 17 5.773 -6.052 -4.446 1.00 0.00 C ATOM 203 CD1 TRP A 17 6.202 -7.343 -4.330 1.00 0.00 C ATOM 204 CD2 TRP A 17 4.815 -5.850 -3.401 1.00 0.00 C ATOM 205 NE1 TRP A 17 5.569 -7.957 -3.276 1.00 0.00 N ATOM 206 CE2 TRP A 17 4.714 -7.062 -2.689 1.00 0.00 C ATOM 207 CE3 TRP A 17 4.035 -4.764 -2.995 1.00 0.00 C ATOM 208 CZ2 TRP A 17 3.863 -7.214 -1.597 1.00 0.00 C ATOM 209 CZ3 TRP A 17 3.192 -4.917 -1.912 1.00 0.00 C ATOM 210 CH2 TRP A 17 3.111 -6.134 -1.222 1.00 0.00 C ATOM 0 H TRP A 17 6.718 -3.587 -7.386 1.00 0.00 H new ATOM 0 HA TRP A 17 5.587 -6.146 -7.201 1.00 0.00 H new ATOM 0 HB2 TRP A 17 7.278 -5.177 -5.657 1.00 0.00 H new ATOM 0 HB3 TRP A 17 6.083 -4.044 -5.055 1.00 0.00 H new ATOM 0 HD1 TRP A 17 6.932 -7.813 -4.972 1.00 0.00 H new ATOM 0 HE1 TRP A 17 5.712 -8.922 -2.979 1.00 0.00 H new ATOM 0 HE3 TRP A 17 4.090 -3.821 -3.519 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 3.799 -8.152 -1.065 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 2.584 -4.084 -1.591 1.00 0.00 H new ATOM 0 HH2 TRP A 17 2.442 -6.221 -0.378 1.00 0.00 H new ATOM 221 N CYS A 18 3.581 -3.663 -6.362 1.00 0.00 N ATOM 222 CA CYS A 18 2.185 -3.314 -6.123 1.00 0.00 C ATOM 223 C CYS A 18 1.348 -3.530 -7.380 1.00 0.00 C ATOM 224 O CYS A 18 0.236 -4.055 -7.316 1.00 0.00 O ATOM 225 CB CYS A 18 2.073 -1.859 -5.664 1.00 0.00 C ATOM 226 SG CYS A 18 3.104 -0.708 -6.602 1.00 0.00 S ATOM 0 H CYS A 18 4.219 -2.867 -6.372 1.00 0.00 H new ATOM 0 HA CYS A 18 1.802 -3.965 -5.337 1.00 0.00 H new ATOM 0 HB2 CYS A 18 1.032 -1.544 -5.741 1.00 0.00 H new ATOM 0 HB3 CYS A 18 2.347 -1.799 -4.611 1.00 0.00 H new ATOM 0 HG CYS A 18 4.350 -0.870 -6.268 1.00 0.00 H new ATOM 232 N LYS A 19 1.888 -3.120 -8.522 1.00 0.00 N ATOM 233 CA LYS A 19 1.192 -3.267 -9.795 1.00 0.00 C ATOM 234 C LYS A 19 1.073 -4.737 -10.183 1.00 0.00 C ATOM 235 O LYS A 19 0.214 -5.110 -10.981 1.00 0.00 O ATOM 236 CB LYS A 19 1.927 -2.496 -10.894 1.00 0.00 C ATOM 237 CG LYS A 19 1.731 -0.992 -10.817 1.00 0.00 C ATOM 238 CD LYS A 19 2.744 -0.253 -11.675 1.00 0.00 C ATOM 239 CE LYS A 19 2.242 -0.074 -13.100 1.00 0.00 C ATOM 240 NZ LYS A 19 1.113 0.895 -13.172 1.00 0.00 N ATOM 0 H LYS A 19 2.807 -2.683 -8.592 1.00 0.00 H new ATOM 0 HA LYS A 19 0.188 -2.857 -9.681 1.00 0.00 H new ATOM 0 HB2 LYS A 19 2.992 -2.719 -10.832 1.00 0.00 H new ATOM 0 HB3 LYS A 19 1.583 -2.849 -11.866 1.00 0.00 H new ATOM 0 HG2 LYS A 19 0.722 -0.738 -11.144 1.00 0.00 H new ATOM 0 HG3 LYS A 19 1.822 -0.665 -9.781 1.00 0.00 H new ATOM 0 HD2 LYS A 19 2.951 0.723 -11.236 1.00 0.00 H new ATOM 0 HD3 LYS A 19 3.684 -0.804 -11.686 1.00 0.00 H new ATOM 0 HE2 LYS A 19 3.059 0.273 -13.732 1.00 0.00 H new ATOM 0 HE3 LYS A 19 1.920 -1.037 -13.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 1.031 1.261 -14.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 0.228 0.418 -12.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 1.291 1.684 -12.518 1.00 0.00 H new ATOM 254 N GLU A 20 1.939 -5.568 -9.611 1.00 0.00 N ATOM 255 CA GLU A 20 1.929 -6.997 -9.898 1.00 0.00 C ATOM 256 C GLU A 20 0.734 -7.677 -9.237 1.00 0.00 C ATOM 257 O GLU A 20 -0.066 -8.335 -9.902 1.00 0.00 O ATOM 258 CB GLU A 20 3.229 -7.646 -9.416 1.00 0.00 C ATOM 259 CG GLU A 20 3.531 -8.975 -10.088 1.00 0.00 C ATOM 260 CD GLU A 20 4.320 -9.913 -9.195 1.00 0.00 C ATOM 261 OE1 GLU A 20 4.022 -9.968 -7.983 1.00 0.00 O ATOM 262 OE2 GLU A 20 5.233 -10.593 -9.707 1.00 0.00 O ATOM 0 H GLU A 20 2.656 -5.276 -8.947 1.00 0.00 H new ATOM 0 HA GLU A 20 1.846 -7.123 -10.977 1.00 0.00 H new ATOM 0 HB2 GLU A 20 4.057 -6.960 -9.597 1.00 0.00 H new ATOM 0 HB3 GLU A 20 3.172 -7.798 -8.338 1.00 0.00 H new ATOM 0 HG2 GLU A 20 2.595 -9.454 -10.375 1.00 0.00 H new ATOM 0 HG3 GLU A 20 4.091 -8.795 -11.005 1.00 0.00 H new ATOM 269 N VAL A 21 0.619 -7.512 -7.923 1.00 0.00 N ATOM 270 CA VAL A 21 -0.479 -8.108 -7.171 1.00 0.00 C ATOM 271 C VAL A 21 -1.811 -7.465 -7.540 1.00 0.00 C ATOM 272 O VAL A 21 -2.872 -8.071 -7.382 1.00 0.00 O ATOM 273 CB VAL A 21 -0.259 -7.970 -5.652 1.00 0.00 C ATOM 274 CG1 VAL A 21 1.203 -8.199 -5.302 1.00 0.00 C ATOM 275 CG2 VAL A 21 -0.724 -6.605 -5.169 1.00 0.00 C ATOM 0 H VAL A 21 1.273 -6.971 -7.357 1.00 0.00 H new ATOM 0 HA VAL A 21 -0.504 -9.166 -7.433 1.00 0.00 H new ATOM 0 HB VAL A 21 -0.853 -8.731 -5.145 1.00 0.00 H new ATOM 0 HG11 VAL A 21 1.340 -8.098 -4.225 1.00 0.00 H new ATOM 0 HG12 VAL A 21 1.499 -9.201 -5.613 1.00 0.00 H new ATOM 0 HG13 VAL A 21 1.820 -7.463 -5.817 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -0.561 -6.525 -4.094 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -0.159 -5.826 -5.681 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -1.786 -6.485 -5.385 1.00 0.00 H new ATOM 285 N THR A 22 -1.750 -6.233 -8.035 1.00 0.00 N ATOM 286 CA THR A 22 -2.952 -5.506 -8.427 1.00 0.00 C ATOM 287 C THR A 22 -3.128 -5.512 -9.941 1.00 0.00 C ATOM 288 O THR A 22 -3.665 -4.566 -10.518 1.00 0.00 O ATOM 289 CB THR A 22 -2.914 -4.048 -7.932 1.00 0.00 C ATOM 290 OG1 THR A 22 -1.797 -3.363 -8.511 1.00 0.00 O ATOM 291 CG2 THR A 22 -2.817 -3.994 -6.415 1.00 0.00 C ATOM 0 H THR A 22 -0.881 -5.717 -8.174 1.00 0.00 H new ATOM 0 HA THR A 22 -3.796 -6.017 -7.963 1.00 0.00 H new ATOM 0 HB THR A 22 -3.839 -3.559 -8.239 1.00 0.00 H new ATOM 0 HG1 THR A 22 -1.071 -3.307 -7.855 1.00 0.00 H new ATOM 0 HG21 THR A 22 -2.792 -2.954 -6.089 1.00 0.00 H new ATOM 0 HG22 THR A 22 -3.683 -4.491 -5.977 1.00 0.00 H new ATOM 0 HG23 THR A 22 -1.907 -4.498 -6.090 1.00 0.00 H new ATOM 299 N LYS A 23 -2.674 -6.585 -10.581 1.00 0.00 N ATOM 300 CA LYS A 23 -2.783 -6.716 -12.029 1.00 0.00 C ATOM 301 C LYS A 23 -4.198 -7.118 -12.434 1.00 0.00 C ATOM 302 O LYS A 23 -4.722 -6.648 -13.443 1.00 0.00 O ATOM 303 CB LYS A 23 -1.780 -7.750 -12.545 1.00 0.00 C ATOM 304 CG LYS A 23 -0.435 -7.156 -12.925 1.00 0.00 C ATOM 305 CD LYS A 23 0.307 -8.041 -13.913 1.00 0.00 C ATOM 306 CE LYS A 23 -0.075 -7.715 -15.349 1.00 0.00 C ATOM 307 NZ LYS A 23 0.991 -8.113 -16.310 1.00 0.00 N ATOM 0 H LYS A 23 -2.227 -7.377 -10.119 1.00 0.00 H new ATOM 0 HA LYS A 23 -2.558 -5.747 -12.474 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -1.628 -8.510 -11.779 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -2.204 -8.253 -13.414 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -0.583 -6.168 -13.360 1.00 0.00 H new ATOM 0 HG3 LYS A 23 0.171 -7.022 -12.029 1.00 0.00 H new ATOM 0 HD2 LYS A 23 1.382 -7.912 -13.783 1.00 0.00 H new ATOM 0 HD3 LYS A 23 0.084 -9.087 -13.705 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -1.003 -8.227 -15.603 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -0.266 -6.646 -15.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 0.693 -7.874 -17.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 1.870 -7.605 -16.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 1.155 -9.138 -16.241 1.00 0.00 H new ATOM 321 N ASN A 24 -4.811 -7.989 -11.639 1.00 0.00 N ATOM 322 CA ASN A 24 -6.165 -8.453 -11.915 1.00 0.00 C ATOM 323 C ASN A 24 -7.174 -7.762 -11.003 1.00 0.00 C ATOM 324 O ASN A 24 -8.128 -8.381 -10.532 1.00 0.00 O ATOM 325 CB ASN A 24 -6.254 -9.970 -11.734 1.00 0.00 C ATOM 326 CG ASN A 24 -5.299 -10.718 -12.644 1.00 0.00 C ATOM 327 OD1 ASN A 24 -5.704 -11.276 -13.664 1.00 0.00 O ATOM 328 ND2 ASN A 24 -4.022 -10.731 -12.278 1.00 0.00 N ATOM 0 H ASN A 24 -4.391 -8.387 -10.799 1.00 0.00 H new ATOM 0 HA ASN A 24 -6.404 -8.202 -12.948 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -6.036 -10.223 -10.696 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -7.274 -10.298 -11.934 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -3.332 -11.217 -12.851 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -3.731 -10.255 -11.424 1.00 0.00 H new ATOM 335 N TYR A 25 -6.956 -6.474 -10.758 1.00 0.00 N ATOM 336 CA TYR A 25 -7.844 -5.698 -9.901 1.00 0.00 C ATOM 337 C TYR A 25 -8.654 -4.698 -10.720 1.00 0.00 C ATOM 338 O TYR A 25 -8.501 -4.607 -11.938 1.00 0.00 O ATOM 339 CB TYR A 25 -7.038 -4.962 -8.829 1.00 0.00 C ATOM 340 CG TYR A 25 -6.772 -5.794 -7.595 1.00 0.00 C ATOM 341 CD1 TYR A 25 -5.949 -6.911 -7.649 1.00 0.00 C ATOM 342 CD2 TYR A 25 -7.345 -5.461 -6.373 1.00 0.00 C ATOM 343 CE1 TYR A 25 -5.704 -7.674 -6.524 1.00 0.00 C ATOM 344 CE2 TYR A 25 -7.104 -6.217 -5.242 1.00 0.00 C ATOM 345 CZ TYR A 25 -6.284 -7.322 -5.322 1.00 0.00 C ATOM 346 OH TYR A 25 -6.041 -8.079 -4.199 1.00 0.00 O ATOM 0 H TYR A 25 -6.172 -5.946 -11.141 1.00 0.00 H new ATOM 0 HA TYR A 25 -8.535 -6.388 -9.417 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -6.086 -4.645 -9.255 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -7.574 -4.058 -8.539 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -5.492 -7.188 -8.588 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -7.989 -4.597 -6.307 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -5.063 -8.541 -6.585 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -7.556 -5.944 -4.300 1.00 0.00 H new ATOM 0 HH TYR A 25 -5.609 -7.523 -3.517 1.00 0.00 H new ATOM 356 N ARG A 26 -9.517 -3.948 -10.041 1.00 0.00 N ATOM 357 CA ARG A 26 -10.353 -2.955 -10.704 1.00 0.00 C ATOM 358 C ARG A 26 -10.105 -1.564 -10.127 1.00 0.00 C ATOM 359 O ARG A 26 -10.408 -1.301 -8.964 1.00 0.00 O ATOM 360 CB ARG A 26 -11.831 -3.322 -10.561 1.00 0.00 C ATOM 361 CG ARG A 26 -12.767 -2.385 -11.306 1.00 0.00 C ATOM 362 CD ARG A 26 -14.138 -3.011 -11.508 1.00 0.00 C ATOM 363 NE ARG A 26 -14.218 -3.760 -12.759 1.00 0.00 N ATOM 364 CZ ARG A 26 -14.470 -3.199 -13.936 1.00 0.00 C ATOM 365 NH1 ARG A 26 -14.663 -1.890 -14.023 1.00 0.00 N ATOM 366 NH2 ARG A 26 -14.527 -3.947 -15.031 1.00 0.00 N ATOM 0 H ARG A 26 -9.655 -4.010 -9.032 1.00 0.00 H new ATOM 0 HA ARG A 26 -10.090 -2.944 -11.762 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -11.981 -4.338 -10.927 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -12.096 -3.321 -9.504 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -12.870 -1.453 -10.749 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -12.335 -2.132 -12.274 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -14.360 -3.675 -10.673 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -14.898 -2.229 -11.504 1.00 0.00 H new ATOM 0 HE ARG A 26 -14.072 -4.769 -12.727 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -14.618 -1.311 -13.184 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -14.856 -1.462 -14.928 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -14.377 -4.954 -14.969 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -14.721 -3.515 -15.934 1.00 0.00 H new ATOM 380 N GLY A 27 -9.553 -0.677 -10.949 1.00 0.00 N ATOM 381 CA GLY A 27 -9.273 0.675 -10.502 1.00 0.00 C ATOM 382 C GLY A 27 -7.992 0.767 -9.697 1.00 0.00 C ATOM 383 O GLY A 27 -7.964 1.378 -8.629 1.00 0.00 O ATOM 0 H GLY A 27 -9.295 -0.871 -11.917 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -9.202 1.333 -11.368 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -10.105 1.034 -9.896 1.00 0.00 H new ATOM 387 N VAL A 28 -6.928 0.156 -10.209 1.00 0.00 N ATOM 388 CA VAL A 28 -5.638 0.171 -9.531 1.00 0.00 C ATOM 389 C VAL A 28 -4.518 0.566 -10.487 1.00 0.00 C ATOM 390 O VAL A 28 -3.931 -0.283 -11.158 1.00 0.00 O ATOM 391 CB VAL A 28 -5.312 -1.203 -8.915 1.00 0.00 C ATOM 392 CG1 VAL A 28 -3.972 -1.161 -8.196 1.00 0.00 C ATOM 393 CG2 VAL A 28 -6.421 -1.639 -7.970 1.00 0.00 C ATOM 0 H VAL A 28 -6.935 -0.356 -11.091 1.00 0.00 H new ATOM 0 HA VAL A 28 -5.708 0.911 -8.734 1.00 0.00 H new ATOM 0 HB VAL A 28 -5.243 -1.936 -9.719 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -3.758 -2.140 -7.767 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -3.187 -0.896 -8.904 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -4.009 -0.417 -7.400 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -6.174 -2.611 -7.544 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -6.525 -0.907 -7.169 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -7.360 -1.711 -8.519 1.00 0.00 H new ATOM 403 N LYS A 29 -4.227 1.861 -10.545 1.00 0.00 N ATOM 404 CA LYS A 29 -3.176 2.371 -11.418 1.00 0.00 C ATOM 405 C LYS A 29 -2.103 3.095 -10.612 1.00 0.00 C ATOM 406 O LYS A 29 -2.167 4.311 -10.427 1.00 0.00 O ATOM 407 CB LYS A 29 -3.768 3.318 -12.465 1.00 0.00 C ATOM 408 CG LYS A 29 -2.722 4.001 -13.328 1.00 0.00 C ATOM 409 CD LYS A 29 -3.363 4.851 -14.413 1.00 0.00 C ATOM 410 CE LYS A 29 -2.488 6.040 -14.779 1.00 0.00 C ATOM 411 NZ LYS A 29 -2.752 7.213 -13.901 1.00 0.00 N ATOM 0 H LYS A 29 -4.704 2.577 -9.998 1.00 0.00 H new ATOM 0 HA LYS A 29 -2.715 1.522 -11.924 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -4.447 2.757 -13.107 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -4.363 4.079 -11.960 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -2.085 4.627 -12.703 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -2.079 3.249 -13.786 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -3.538 4.241 -15.299 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -4.336 5.205 -14.072 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -1.438 5.756 -14.701 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -2.667 6.316 -15.818 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -2.136 8.003 -14.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -3.747 7.500 -13.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -2.557 6.957 -12.912 1.00 0.00 H new ATOM 425 N ILE A 30 -1.118 2.342 -10.136 1.00 0.00 N ATOM 426 CA ILE A 30 -0.030 2.913 -9.352 1.00 0.00 C ATOM 427 C ILE A 30 0.905 3.739 -10.229 1.00 0.00 C ATOM 428 O ILE A 30 1.951 3.258 -10.667 1.00 0.00 O ATOM 429 CB ILE A 30 0.787 1.818 -8.640 1.00 0.00 C ATOM 430 CG1 ILE A 30 -0.125 0.966 -7.754 1.00 0.00 C ATOM 431 CG2 ILE A 30 1.903 2.442 -7.816 1.00 0.00 C ATOM 432 CD1 ILE A 30 -0.712 -0.232 -8.467 1.00 0.00 C ATOM 0 H ILE A 30 -1.051 1.334 -10.279 1.00 0.00 H new ATOM 0 HA ILE A 30 -0.487 3.559 -8.602 1.00 0.00 H new ATOM 0 HB ILE A 30 1.236 1.172 -9.394 1.00 0.00 H new ATOM 0 HG12 ILE A 30 0.441 0.622 -6.888 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -0.937 1.588 -7.377 1.00 0.00 H new ATOM 0 HG21 ILE A 30 2.471 1.656 -7.319 1.00 0.00 H new ATOM 0 HG22 ILE A 30 2.565 3.010 -8.470 1.00 0.00 H new ATOM 0 HG23 ILE A 30 1.474 3.108 -7.067 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -1.347 -0.790 -7.779 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -1.306 0.105 -9.317 1.00 0.00 H new ATOM 0 HD13 ILE A 30 0.093 -0.876 -8.820 1.00 0.00 H new ATOM 444 N THR A 31 0.522 4.987 -10.482 1.00 0.00 N ATOM 445 CA THR A 31 1.325 5.881 -11.307 1.00 0.00 C ATOM 446 C THR A 31 2.307 6.678 -10.456 1.00 0.00 C ATOM 447 O THR A 31 3.367 7.084 -10.932 1.00 0.00 O ATOM 448 CB THR A 31 0.440 6.859 -12.102 1.00 0.00 C ATOM 449 OG1 THR A 31 1.249 7.647 -12.982 1.00 0.00 O ATOM 450 CG2 THR A 31 -0.336 7.771 -11.164 1.00 0.00 C ATOM 0 H THR A 31 -0.340 5.401 -10.127 1.00 0.00 H new ATOM 0 HA THR A 31 1.879 5.255 -12.006 1.00 0.00 H new ATOM 0 HB THR A 31 -0.272 6.277 -12.688 1.00 0.00 H new ATOM 0 HG1 THR A 31 0.679 8.265 -13.485 1.00 0.00 H new ATOM 0 HG21 THR A 31 -0.954 8.453 -11.748 1.00 0.00 H new ATOM 0 HG22 THR A 31 -0.973 7.169 -10.516 1.00 0.00 H new ATOM 0 HG23 THR A 31 0.362 8.345 -10.555 1.00 0.00 H new ATOM 458 N ASN A 32 1.948 6.899 -9.196 1.00 0.00 N ATOM 459 CA ASN A 32 2.799 7.649 -8.279 1.00 0.00 C ATOM 460 C ASN A 32 2.768 7.034 -6.883 1.00 0.00 C ATOM 461 O ASN A 32 2.055 6.061 -6.637 1.00 0.00 O ATOM 462 CB ASN A 32 2.352 9.110 -8.215 1.00 0.00 C ATOM 463 CG ASN A 32 2.034 9.678 -9.585 1.00 0.00 C ATOM 464 OD1 ASN A 32 2.744 9.418 -10.557 1.00 0.00 O ATOM 465 ND2 ASN A 32 0.963 10.459 -9.668 1.00 0.00 N ATOM 0 H ASN A 32 1.074 6.570 -8.786 1.00 0.00 H new ATOM 0 HA ASN A 32 3.822 7.605 -8.654 1.00 0.00 H new ATOM 0 HB2 ASN A 32 1.471 9.190 -7.578 1.00 0.00 H new ATOM 0 HB3 ASN A 32 3.137 9.707 -7.750 1.00 0.00 H new ATOM 0 HD21 ASN A 32 0.700 10.870 -10.564 1.00 0.00 H new ATOM 0 HD22 ASN A 32 0.403 10.647 -8.836 1.00 0.00 H new ATOM 472 N PHE A 33 3.545 7.610 -5.971 1.00 0.00 N ATOM 473 CA PHE A 33 3.608 7.119 -4.600 1.00 0.00 C ATOM 474 C PHE A 33 3.128 8.185 -3.619 1.00 0.00 C ATOM 475 O PHE A 33 3.609 8.267 -2.488 1.00 0.00 O ATOM 476 CB PHE A 33 5.036 6.695 -4.251 1.00 0.00 C ATOM 477 CG PHE A 33 5.396 5.329 -4.760 1.00 0.00 C ATOM 478 CD1 PHE A 33 4.767 4.200 -4.259 1.00 0.00 C ATOM 479 CD2 PHE A 33 6.363 5.173 -5.740 1.00 0.00 C ATOM 480 CE1 PHE A 33 5.098 2.942 -4.725 1.00 0.00 C ATOM 481 CE2 PHE A 33 6.697 3.916 -6.210 1.00 0.00 C ATOM 482 CZ PHE A 33 6.063 2.800 -5.702 1.00 0.00 C ATOM 0 H PHE A 33 4.140 8.417 -6.157 1.00 0.00 H new ATOM 0 HA PHE A 33 2.951 6.253 -4.520 1.00 0.00 H new ATOM 0 HB2 PHE A 33 5.734 7.423 -4.664 1.00 0.00 H new ATOM 0 HB3 PHE A 33 5.158 6.714 -3.168 1.00 0.00 H new ATOM 0 HD1 PHE A 33 4.010 4.305 -3.496 1.00 0.00 H new ATOM 0 HD2 PHE A 33 6.862 6.043 -6.141 1.00 0.00 H new ATOM 0 HE1 PHE A 33 4.602 2.070 -4.325 1.00 0.00 H new ATOM 0 HE2 PHE A 33 7.453 3.808 -6.974 1.00 0.00 H new ATOM 0 HZ PHE A 33 6.321 1.817 -6.068 1.00 0.00 H new ATOM 492 N THR A 34 2.177 9.002 -4.060 1.00 0.00 N ATOM 493 CA THR A 34 1.633 10.065 -3.223 1.00 0.00 C ATOM 494 C THR A 34 0.110 10.011 -3.188 1.00 0.00 C ATOM 495 O THR A 34 -0.486 9.638 -2.176 1.00 0.00 O ATOM 496 CB THR A 34 2.074 11.454 -3.721 1.00 0.00 C ATOM 497 OG1 THR A 34 1.928 11.534 -5.143 1.00 0.00 O ATOM 498 CG2 THR A 34 3.520 11.731 -3.339 1.00 0.00 C ATOM 0 H THR A 34 1.767 8.948 -4.992 1.00 0.00 H new ATOM 0 HA THR A 34 2.024 9.907 -2.218 1.00 0.00 H new ATOM 0 HB THR A 34 1.439 12.203 -3.248 1.00 0.00 H new ATOM 0 HG1 THR A 34 2.209 12.421 -5.451 1.00 0.00 H new ATOM 0 HG21 THR A 34 3.809 12.717 -3.701 1.00 0.00 H new ATOM 0 HG22 THR A 34 3.622 11.698 -2.254 1.00 0.00 H new ATOM 0 HG23 THR A 34 4.166 10.976 -3.787 1.00 0.00 H new ATOM 506 N THR A 35 -0.518 10.384 -4.299 1.00 0.00 N ATOM 507 CA THR A 35 -1.972 10.379 -4.394 1.00 0.00 C ATOM 508 C THR A 35 -2.504 8.965 -4.600 1.00 0.00 C ATOM 509 O THR A 35 -3.408 8.523 -3.891 1.00 0.00 O ATOM 510 CB THR A 35 -2.462 11.273 -5.549 1.00 0.00 C ATOM 511 OG1 THR A 35 -1.909 10.819 -6.789 1.00 0.00 O ATOM 512 CG2 THR A 35 -2.070 12.724 -5.314 1.00 0.00 C ATOM 0 H THR A 35 -0.041 10.694 -5.146 1.00 0.00 H new ATOM 0 HA THR A 35 -2.352 10.774 -3.452 1.00 0.00 H new ATOM 0 HB THR A 35 -3.549 11.209 -5.592 1.00 0.00 H new ATOM 0 HG1 THR A 35 -2.227 11.392 -7.518 1.00 0.00 H new ATOM 0 HG21 THR A 35 -2.427 13.336 -6.142 1.00 0.00 H new ATOM 0 HG22 THR A 35 -2.517 13.076 -4.384 1.00 0.00 H new ATOM 0 HG23 THR A 35 -0.985 12.801 -5.247 1.00 0.00 H new ATOM 520 N SER A 36 -1.937 8.260 -5.573 1.00 0.00 N ATOM 521 CA SER A 36 -2.357 6.896 -5.874 1.00 0.00 C ATOM 522 C SER A 36 -2.677 6.132 -4.593 1.00 0.00 C ATOM 523 O SER A 36 -3.578 5.293 -4.567 1.00 0.00 O ATOM 524 CB SER A 36 -1.266 6.165 -6.659 1.00 0.00 C ATOM 525 OG SER A 36 -1.284 6.539 -8.026 1.00 0.00 O ATOM 0 H SER A 36 -1.185 8.610 -6.167 1.00 0.00 H new ATOM 0 HA SER A 36 -3.260 6.946 -6.482 1.00 0.00 H new ATOM 0 HB2 SER A 36 -0.290 6.392 -6.229 1.00 0.00 H new ATOM 0 HB3 SER A 36 -1.410 5.088 -6.571 1.00 0.00 H new ATOM 0 HG SER A 36 -1.745 5.849 -8.548 1.00 0.00 H new ATOM 531 N TRP A 37 -1.933 6.428 -3.534 1.00 0.00 N ATOM 532 CA TRP A 37 -2.136 5.769 -2.249 1.00 0.00 C ATOM 533 C TRP A 37 -2.925 6.662 -1.297 1.00 0.00 C ATOM 534 O TRP A 37 -3.608 6.175 -0.397 1.00 0.00 O ATOM 535 CB TRP A 37 -0.791 5.398 -1.623 1.00 0.00 C ATOM 536 CG TRP A 37 0.136 4.705 -2.576 1.00 0.00 C ATOM 537 CD1 TRP A 37 0.958 5.294 -3.494 1.00 0.00 C ATOM 538 CD2 TRP A 37 0.333 3.293 -2.705 1.00 0.00 C ATOM 539 NE1 TRP A 37 1.655 4.332 -4.186 1.00 0.00 N ATOM 540 CE2 TRP A 37 1.290 3.097 -3.720 1.00 0.00 C ATOM 541 CE3 TRP A 37 -0.203 2.175 -2.060 1.00 0.00 C ATOM 542 CZ2 TRP A 37 1.718 1.829 -4.104 1.00 0.00 C ATOM 543 CZ3 TRP A 37 0.222 0.918 -2.443 1.00 0.00 C ATOM 544 CH2 TRP A 37 1.176 0.753 -3.456 1.00 0.00 C ATOM 0 H TRP A 37 -1.184 7.120 -3.539 1.00 0.00 H new ATOM 0 HA TRP A 37 -2.710 4.859 -2.423 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -0.309 6.302 -1.252 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -0.965 4.753 -0.762 1.00 0.00 H new ATOM 0 HD1 TRP A 37 1.047 6.359 -3.653 1.00 0.00 H new ATOM 0 HE1 TRP A 37 2.334 4.509 -4.926 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -0.937 2.292 -1.276 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 2.452 1.699 -4.886 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -0.188 0.047 -1.953 1.00 0.00 H new ATOM 0 HH2 TRP A 37 1.490 -0.243 -3.731 1.00 0.00 H new ATOM 555 N ARG A 38 -2.824 7.971 -1.502 1.00 0.00 N ATOM 556 CA ARG A 38 -3.528 8.932 -0.661 1.00 0.00 C ATOM 557 C ARG A 38 -4.890 8.391 -0.239 1.00 0.00 C ATOM 558 O ARG A 38 -5.251 8.439 0.936 1.00 0.00 O ATOM 559 CB ARG A 38 -3.702 10.259 -1.402 1.00 0.00 C ATOM 560 CG ARG A 38 -4.735 11.178 -0.772 1.00 0.00 C ATOM 561 CD ARG A 38 -4.446 12.638 -1.083 1.00 0.00 C ATOM 562 NE ARG A 38 -5.525 13.517 -0.638 1.00 0.00 N ATOM 563 CZ ARG A 38 -6.649 13.704 -1.322 1.00 0.00 C ATOM 564 NH1 ARG A 38 -6.840 13.077 -2.474 1.00 0.00 N ATOM 565 NH2 ARG A 38 -7.584 14.519 -0.852 1.00 0.00 N ATOM 0 H ARG A 38 -2.262 8.390 -2.243 1.00 0.00 H new ATOM 0 HA ARG A 38 -2.930 9.099 0.235 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -2.742 10.775 -1.436 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -3.991 10.054 -2.433 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -5.728 10.917 -1.138 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -4.745 11.030 0.308 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -3.515 12.934 -0.600 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -4.300 12.758 -2.157 1.00 0.00 H new ATOM 0 HE ARG A 38 -5.409 14.014 0.245 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -6.123 12.449 -2.838 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -7.704 13.222 -2.997 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -7.440 15.002 0.035 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -8.447 14.662 -1.377 1.00 0.00 H new ATOM 579 N ASN A 39 -5.642 7.876 -1.207 1.00 0.00 N ATOM 580 CA ASN A 39 -6.965 7.326 -0.936 1.00 0.00 C ATOM 581 C ASN A 39 -6.868 6.080 -0.061 1.00 0.00 C ATOM 582 O ASN A 39 -7.508 5.992 0.986 1.00 0.00 O ATOM 583 CB ASN A 39 -7.679 6.988 -2.246 1.00 0.00 C ATOM 584 CG ASN A 39 -6.727 6.460 -3.303 1.00 0.00 C ATOM 585 OD1 ASN A 39 -5.626 6.006 -2.991 1.00 0.00 O ATOM 586 ND2 ASN A 39 -7.149 6.519 -4.561 1.00 0.00 N ATOM 0 H ASN A 39 -5.358 7.828 -2.185 1.00 0.00 H new ATOM 0 HA ASN A 39 -7.541 8.081 -0.400 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -8.453 6.245 -2.054 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -8.180 7.879 -2.624 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -6.552 6.180 -5.316 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -8.070 6.904 -4.773 1.00 0.00 H new ATOM 593 N GLY A 40 -6.062 5.117 -0.499 1.00 0.00 N ATOM 594 CA GLY A 40 -5.894 3.889 0.256 1.00 0.00 C ATOM 595 C GLY A 40 -6.473 2.685 -0.460 1.00 0.00 C ATOM 596 O GLY A 40 -7.033 1.788 0.171 1.00 0.00 O ATOM 0 H GLY A 40 -5.523 5.166 -1.363 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -4.833 3.722 0.441 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -6.374 3.995 1.229 1.00 0.00 H new ATOM 600 N LEU A 41 -6.341 2.665 -1.782 1.00 0.00 N ATOM 601 CA LEU A 41 -6.857 1.562 -2.586 1.00 0.00 C ATOM 602 C LEU A 41 -5.825 0.445 -2.704 1.00 0.00 C ATOM 603 O LEU A 41 -6.066 -0.684 -2.277 1.00 0.00 O ATOM 604 CB LEU A 41 -7.248 2.060 -3.978 1.00 0.00 C ATOM 605 CG LEU A 41 -8.525 2.897 -4.057 1.00 0.00 C ATOM 606 CD1 LEU A 41 -8.820 3.287 -5.497 1.00 0.00 C ATOM 607 CD2 LEU A 41 -9.699 2.137 -3.457 1.00 0.00 C ATOM 0 H LEU A 41 -5.881 3.400 -2.320 1.00 0.00 H new ATOM 0 HA LEU A 41 -7.741 1.163 -2.088 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -6.424 2.653 -4.375 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -7.363 1.196 -4.632 1.00 0.00 H new ATOM 0 HG LEU A 41 -8.375 3.809 -3.479 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -9.732 3.882 -5.533 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -7.990 3.871 -5.893 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -8.950 2.387 -6.098 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -10.599 2.748 -3.522 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -9.850 1.208 -4.007 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -9.489 1.910 -2.412 1.00 0.00 H new ATOM 619 N SER A 42 -4.673 0.769 -3.284 1.00 0.00 N ATOM 620 CA SER A 42 -3.605 -0.207 -3.460 1.00 0.00 C ATOM 621 C SER A 42 -3.266 -0.886 -2.136 1.00 0.00 C ATOM 622 O SER A 42 -2.982 -2.083 -2.094 1.00 0.00 O ATOM 623 CB SER A 42 -2.358 0.468 -4.034 1.00 0.00 C ATOM 624 OG SER A 42 -2.608 0.983 -5.330 1.00 0.00 O ATOM 0 H SER A 42 -4.456 1.700 -3.640 1.00 0.00 H new ATOM 0 HA SER A 42 -3.953 -0.967 -4.160 1.00 0.00 H new ATOM 0 HB2 SER A 42 -2.041 1.275 -3.374 1.00 0.00 H new ATOM 0 HB3 SER A 42 -1.539 -0.250 -4.076 1.00 0.00 H new ATOM 0 HG SER A 42 -2.046 1.771 -5.483 1.00 0.00 H new ATOM 630 N PHE A 43 -3.297 -0.112 -1.057 1.00 0.00 N ATOM 631 CA PHE A 43 -2.993 -0.636 0.269 1.00 0.00 C ATOM 632 C PHE A 43 -3.925 -1.791 0.625 1.00 0.00 C ATOM 633 O PHE A 43 -3.485 -2.827 1.125 1.00 0.00 O ATOM 634 CB PHE A 43 -3.111 0.471 1.319 1.00 0.00 C ATOM 635 CG PHE A 43 -1.864 1.296 1.462 1.00 0.00 C ATOM 636 CD1 PHE A 43 -0.643 0.692 1.716 1.00 0.00 C ATOM 637 CD2 PHE A 43 -1.912 2.675 1.343 1.00 0.00 C ATOM 638 CE1 PHE A 43 0.506 1.449 1.850 1.00 0.00 C ATOM 639 CE2 PHE A 43 -0.767 3.438 1.475 1.00 0.00 C ATOM 640 CZ PHE A 43 0.444 2.823 1.728 1.00 0.00 C ATOM 0 H PHE A 43 -3.530 0.881 -1.075 1.00 0.00 H new ATOM 0 HA PHE A 43 -1.969 -1.009 0.258 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -3.942 1.125 1.054 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -3.353 0.023 2.283 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -0.588 -0.382 1.810 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -2.856 3.160 1.145 1.00 0.00 H new ATOM 0 HE1 PHE A 43 1.451 0.966 2.050 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -0.819 4.513 1.381 1.00 0.00 H new ATOM 0 HZ PHE A 43 1.341 3.416 1.830 1.00 0.00 H new ATOM 650 N CYS A 44 -5.214 -1.604 0.363 1.00 0.00 N ATOM 651 CA CYS A 44 -6.209 -2.629 0.657 1.00 0.00 C ATOM 652 C CYS A 44 -6.152 -3.753 -0.373 1.00 0.00 C ATOM 653 O CYS A 44 -6.246 -4.930 -0.027 1.00 0.00 O ATOM 654 CB CYS A 44 -7.610 -2.016 0.683 1.00 0.00 C ATOM 655 SG CYS A 44 -7.979 -1.083 2.187 1.00 0.00 S ATOM 0 H CYS A 44 -5.594 -0.753 -0.052 1.00 0.00 H new ATOM 0 HA CYS A 44 -5.985 -3.048 1.638 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -7.723 -1.357 -0.178 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -8.346 -2.813 0.573 1.00 0.00 H new ATOM 0 HG CYS A 44 -7.430 0.093 2.114 1.00 0.00 H new ATOM 661 N ALA A 45 -6.000 -3.381 -1.640 1.00 0.00 N ATOM 662 CA ALA A 45 -5.931 -4.358 -2.719 1.00 0.00 C ATOM 663 C ALA A 45 -4.799 -5.352 -2.488 1.00 0.00 C ATOM 664 O ALA A 45 -5.029 -6.558 -2.392 1.00 0.00 O ATOM 665 CB ALA A 45 -5.752 -3.654 -4.057 1.00 0.00 C ATOM 0 H ALA A 45 -5.922 -2.410 -1.944 1.00 0.00 H new ATOM 0 HA ALA A 45 -6.869 -4.913 -2.734 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -5.702 -4.395 -4.854 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -6.596 -2.988 -4.233 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -4.829 -3.074 -4.042 1.00 0.00 H new ATOM 671 N ILE A 46 -3.576 -4.840 -2.400 1.00 0.00 N ATOM 672 CA ILE A 46 -2.408 -5.685 -2.179 1.00 0.00 C ATOM 673 C ILE A 46 -2.694 -6.754 -1.130 1.00 0.00 C ATOM 674 O ILE A 46 -2.519 -7.948 -1.381 1.00 0.00 O ATOM 675 CB ILE A 46 -1.190 -4.855 -1.731 1.00 0.00 C ATOM 676 CG1 ILE A 46 -0.768 -3.889 -2.840 1.00 0.00 C ATOM 677 CG2 ILE A 46 -0.037 -5.771 -1.351 1.00 0.00 C ATOM 678 CD1 ILE A 46 0.181 -2.809 -2.371 1.00 0.00 C ATOM 0 H ILE A 46 -3.368 -3.845 -2.478 1.00 0.00 H new ATOM 0 HA ILE A 46 -2.180 -6.165 -3.131 1.00 0.00 H new ATOM 0 HB ILE A 46 -1.469 -4.271 -0.854 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -0.294 -4.454 -3.642 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -1.658 -3.422 -3.262 1.00 0.00 H new ATOM 0 HG21 ILE A 46 0.816 -5.170 -1.037 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -0.344 -6.422 -0.532 1.00 0.00 H new ATOM 0 HG23 ILE A 46 0.244 -6.378 -2.211 1.00 0.00 H new ATOM 0 HD11 ILE A 46 0.438 -2.161 -3.209 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -0.297 -2.219 -1.589 1.00 0.00 H new ATOM 0 HD13 ILE A 46 1.088 -3.268 -1.976 1.00 0.00 H new ATOM 690 N LEU A 47 -3.137 -6.320 0.044 1.00 0.00 N ATOM 691 CA LEU A 47 -3.449 -7.241 1.132 1.00 0.00 C ATOM 692 C LEU A 47 -4.525 -8.237 0.710 1.00 0.00 C ATOM 693 O LEU A 47 -4.485 -9.408 1.088 1.00 0.00 O ATOM 694 CB LEU A 47 -3.912 -6.465 2.366 1.00 0.00 C ATOM 695 CG LEU A 47 -4.213 -7.301 3.611 1.00 0.00 C ATOM 696 CD1 LEU A 47 -2.926 -7.842 4.215 1.00 0.00 C ATOM 697 CD2 LEU A 47 -4.980 -6.477 4.634 1.00 0.00 C ATOM 0 H LEU A 47 -3.288 -5.336 0.268 1.00 0.00 H new ATOM 0 HA LEU A 47 -2.543 -7.795 1.378 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -3.144 -5.735 2.620 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -4.810 -5.905 2.103 1.00 0.00 H new ATOM 0 HG LEU A 47 -4.835 -8.146 3.316 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -3.160 -8.434 5.100 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -2.416 -8.469 3.483 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -2.278 -7.011 4.495 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -5.185 -7.088 5.513 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -4.384 -5.612 4.925 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -5.921 -6.140 4.198 1.00 0.00 H new ATOM 709 N HIS A 48 -5.487 -7.763 -0.077 1.00 0.00 N ATOM 710 CA HIS A 48 -6.572 -8.613 -0.553 1.00 0.00 C ATOM 711 C HIS A 48 -6.047 -9.687 -1.500 1.00 0.00 C ATOM 712 O HIS A 48 -6.595 -10.787 -1.573 1.00 0.00 O ATOM 713 CB HIS A 48 -7.635 -7.770 -1.259 1.00 0.00 C ATOM 714 CG HIS A 48 -8.984 -8.420 -1.301 1.00 0.00 C ATOM 715 ND1 HIS A 48 -10.038 -8.329 -0.457 1.00 0.00 N flip ATOM 716 CD2 HIS A 48 -9.371 -9.285 -2.303 1.00 0.00 C flip ATOM 717 CE1 HIS A 48 -11.033 -9.131 -0.959 1.00 0.00 C flip ATOM 718 NE2 HIS A 48 -10.606 -9.696 -2.073 1.00 0.00 N flip ATOM 0 H HIS A 48 -5.537 -6.796 -0.398 1.00 0.00 H new ATOM 0 HA HIS A 48 -7.021 -9.104 0.310 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -7.720 -6.808 -0.753 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -7.307 -7.566 -2.278 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -8.761 -9.580 -3.144 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -12.007 -9.276 -0.515 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -11.139 -10.340 -2.657 1.00 0.00 H new ATOM 727 N HIS A 49 -4.981 -9.361 -2.224 1.00 0.00 N ATOM 728 CA HIS A 49 -4.381 -10.298 -3.167 1.00 0.00 C ATOM 729 C HIS A 49 -4.000 -11.601 -2.470 1.00 0.00 C ATOM 730 O HIS A 49 -4.266 -12.690 -2.979 1.00 0.00 O ATOM 731 CB HIS A 49 -3.147 -9.676 -3.822 1.00 0.00 C ATOM 732 CG HIS A 49 -2.648 -10.442 -5.008 1.00 0.00 C ATOM 733 ND1 HIS A 49 -1.440 -10.998 -5.259 1.00 0.00 N flip ATOM 734 CD2 HIS A 49 -3.428 -10.709 -6.114 1.00 0.00 C flip ATOM 735 CE1 HIS A 49 -1.511 -11.586 -6.498 1.00 0.00 C flip ATOM 736 NE2 HIS A 49 -2.721 -11.398 -6.992 1.00 0.00 N flip ATOM 0 H HIS A 49 -4.515 -8.455 -2.176 1.00 0.00 H new ATOM 0 HA HIS A 49 -5.118 -10.521 -3.938 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -3.384 -8.658 -4.131 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -2.349 -9.607 -3.083 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -4.456 -10.403 -6.242 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -0.708 -12.116 -6.988 1.00 0.00 H new ATOM 0 HE2 HIS A 49 -3.053 -11.729 -7.898 1.00 0.00 H new ATOM 745 N PHE A 50 -3.375 -11.481 -1.304 1.00 0.00 N ATOM 746 CA PHE A 50 -2.956 -12.649 -0.538 1.00 0.00 C ATOM 747 C PHE A 50 -4.157 -13.343 0.097 1.00 0.00 C ATOM 748 O PHE A 50 -4.334 -14.553 -0.044 1.00 0.00 O ATOM 749 CB PHE A 50 -1.956 -12.242 0.547 1.00 0.00 C ATOM 750 CG PHE A 50 -0.801 -11.436 0.025 1.00 0.00 C ATOM 751 CD1 PHE A 50 -0.920 -10.068 -0.158 1.00 0.00 C ATOM 752 CD2 PHE A 50 0.405 -12.047 -0.282 1.00 0.00 C ATOM 753 CE1 PHE A 50 0.141 -9.324 -0.639 1.00 0.00 C ATOM 754 CE2 PHE A 50 1.469 -11.308 -0.763 1.00 0.00 C ATOM 755 CZ PHE A 50 1.338 -9.945 -0.940 1.00 0.00 C ATOM 0 H PHE A 50 -3.147 -10.587 -0.869 1.00 0.00 H new ATOM 0 HA PHE A 50 -2.475 -13.348 -1.223 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -2.476 -11.664 1.311 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -1.573 -13.140 1.032 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -1.853 -9.577 0.078 1.00 0.00 H new ATOM 0 HD2 PHE A 50 0.514 -13.113 -0.144 1.00 0.00 H new ATOM 0 HE1 PHE A 50 0.034 -8.258 -0.779 1.00 0.00 H new ATOM 0 HE2 PHE A 50 2.403 -11.796 -1.000 1.00 0.00 H new ATOM 0 HZ PHE A 50 2.169 -9.365 -1.313 1.00 0.00 H new ATOM 765 N ARG A 51 -4.979 -12.568 0.797 1.00 0.00 N ATOM 766 CA ARG A 51 -6.163 -13.107 1.455 1.00 0.00 C ATOM 767 C ARG A 51 -7.351 -12.164 1.296 1.00 0.00 C ATOM 768 O ARG A 51 -7.437 -11.119 1.941 1.00 0.00 O ATOM 769 CB ARG A 51 -5.883 -13.345 2.940 1.00 0.00 C ATOM 770 CG ARG A 51 -5.409 -14.755 3.253 1.00 0.00 C ATOM 771 CD ARG A 51 -6.574 -15.674 3.585 1.00 0.00 C ATOM 772 NE ARG A 51 -7.450 -15.884 2.436 1.00 0.00 N ATOM 773 CZ ARG A 51 -7.231 -16.804 1.503 1.00 0.00 C ATOM 774 NH1 ARG A 51 -6.170 -17.595 1.584 1.00 0.00 N ATOM 775 NH2 ARG A 51 -8.074 -16.934 0.487 1.00 0.00 N ATOM 0 H ARG A 51 -4.847 -11.565 0.923 1.00 0.00 H new ATOM 0 HA ARG A 51 -6.410 -14.057 0.981 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -5.129 -12.634 3.277 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -6.790 -13.141 3.509 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -4.862 -15.154 2.399 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -4.714 -14.728 4.093 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -6.191 -16.635 3.929 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -7.150 -15.247 4.406 1.00 0.00 H new ATOM 0 HE ARG A 51 -8.275 -15.292 2.345 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -5.520 -17.498 2.364 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -6.004 -18.301 0.866 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -8.891 -16.327 0.422 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -7.905 -17.641 -0.229 1.00 0.00 H new ATOM 789 N PRO A 52 -8.291 -12.539 0.415 1.00 0.00 N ATOM 790 CA PRO A 52 -9.491 -11.740 0.150 1.00 0.00 C ATOM 791 C PRO A 52 -10.458 -11.738 1.329 1.00 0.00 C ATOM 792 O PRO A 52 -11.533 -11.143 1.261 1.00 0.00 O ATOM 793 CB PRO A 52 -10.122 -12.438 -1.058 1.00 0.00 C ATOM 794 CG PRO A 52 -9.635 -13.844 -0.980 1.00 0.00 C ATOM 795 CD PRO A 52 -8.254 -13.772 -0.389 1.00 0.00 C ATOM 0 HA PRO A 52 -9.252 -10.691 -0.023 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -11.210 -12.393 -1.017 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -9.818 -11.965 -1.992 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -10.294 -14.451 -0.359 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -9.613 -14.305 -1.968 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -8.033 -14.645 0.225 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -7.488 -13.724 -1.163 1.00 0.00 H new ATOM 803 N ASP A 53 -10.068 -12.406 2.409 1.00 0.00 N ATOM 804 CA ASP A 53 -10.900 -12.480 3.604 1.00 0.00 C ATOM 805 C ASP A 53 -10.313 -11.632 4.728 1.00 0.00 C ATOM 806 O ASP A 53 -10.377 -12.006 5.900 1.00 0.00 O ATOM 807 CB ASP A 53 -11.042 -13.931 4.064 1.00 0.00 C ATOM 808 CG ASP A 53 -12.296 -14.158 4.887 1.00 0.00 C ATOM 809 OD1 ASP A 53 -12.569 -13.340 5.790 1.00 0.00 O ATOM 810 OD2 ASP A 53 -13.003 -15.153 4.627 1.00 0.00 O ATOM 0 H ASP A 53 -9.181 -12.904 2.481 1.00 0.00 H new ATOM 0 HA ASP A 53 -11.886 -12.088 3.355 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -11.060 -14.585 3.192 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -10.169 -14.209 4.654 1.00 0.00 H new ATOM 815 N LEU A 54 -9.740 -10.490 4.364 1.00 0.00 N ATOM 816 CA LEU A 54 -9.140 -9.589 5.341 1.00 0.00 C ATOM 817 C LEU A 54 -9.696 -8.177 5.194 1.00 0.00 C ATOM 818 O LEU A 54 -9.981 -7.505 6.186 1.00 0.00 O ATOM 819 CB LEU A 54 -7.619 -9.570 5.179 1.00 0.00 C ATOM 820 CG LEU A 54 -6.875 -10.812 5.672 1.00 0.00 C ATOM 821 CD1 LEU A 54 -5.384 -10.685 5.400 1.00 0.00 C ATOM 822 CD2 LEU A 54 -7.131 -11.033 7.156 1.00 0.00 C ATOM 0 H LEU A 54 -9.678 -10.166 3.399 1.00 0.00 H new ATOM 0 HA LEU A 54 -9.389 -9.955 6.337 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -7.388 -9.428 4.123 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -7.228 -8.702 5.710 1.00 0.00 H new ATOM 0 HG LEU A 54 -7.251 -11.677 5.126 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -4.872 -11.578 5.758 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -5.218 -10.576 4.328 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -4.993 -9.810 5.919 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -6.594 -11.921 7.490 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -6.784 -10.166 7.718 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -8.199 -11.170 7.324 1.00 0.00 H new ATOM 834 N ILE A 55 -9.851 -7.734 3.951 1.00 0.00 N ATOM 835 CA ILE A 55 -10.377 -6.403 3.674 1.00 0.00 C ATOM 836 C ILE A 55 -11.685 -6.480 2.895 1.00 0.00 C ATOM 837 O ILE A 55 -12.084 -7.550 2.437 1.00 0.00 O ATOM 838 CB ILE A 55 -9.368 -5.553 2.879 1.00 0.00 C ATOM 839 CG1 ILE A 55 -7.938 -6.015 3.169 1.00 0.00 C ATOM 840 CG2 ILE A 55 -9.533 -4.079 3.219 1.00 0.00 C ATOM 841 CD1 ILE A 55 -7.442 -7.080 2.216 1.00 0.00 C ATOM 0 H ILE A 55 -9.620 -8.278 3.119 1.00 0.00 H new ATOM 0 HA ILE A 55 -10.559 -5.929 4.638 1.00 0.00 H new ATOM 0 HB ILE A 55 -9.564 -5.685 1.815 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -7.270 -5.155 3.120 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -7.888 -6.399 4.188 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -8.813 -3.491 2.649 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -10.544 -3.758 2.967 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -9.361 -3.930 4.285 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -6.422 -7.359 2.481 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -8.087 -7.956 2.282 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -7.459 -6.693 1.197 1.00 0.00 H new ATOM 853 N ASP A 56 -12.347 -5.338 2.748 1.00 0.00 N ATOM 854 CA ASP A 56 -13.610 -5.274 2.021 1.00 0.00 C ATOM 855 C ASP A 56 -13.423 -4.605 0.663 1.00 0.00 C ATOM 856 O ASP A 56 -14.362 -4.039 0.104 1.00 0.00 O ATOM 857 CB ASP A 56 -14.656 -4.515 2.838 1.00 0.00 C ATOM 858 CG ASP A 56 -15.010 -5.226 4.129 1.00 0.00 C ATOM 859 OD1 ASP A 56 -15.212 -6.458 4.092 1.00 0.00 O ATOM 860 OD2 ASP A 56 -15.086 -4.551 5.177 1.00 0.00 O ATOM 0 H ASP A 56 -12.030 -4.444 3.123 1.00 0.00 H new ATOM 0 HA ASP A 56 -13.958 -6.294 1.858 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -14.280 -3.518 3.067 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -15.557 -4.386 2.239 1.00 0.00 H new ATOM 865 N TYR A 57 -12.204 -4.672 0.139 1.00 0.00 N ATOM 866 CA TYR A 57 -11.892 -4.069 -1.151 1.00 0.00 C ATOM 867 C TYR A 57 -12.900 -4.501 -2.212 1.00 0.00 C ATOM 868 O TYR A 57 -13.102 -3.811 -3.211 1.00 0.00 O ATOM 869 CB TYR A 57 -10.478 -4.455 -1.589 1.00 0.00 C ATOM 870 CG TYR A 57 -9.978 -3.669 -2.781 1.00 0.00 C ATOM 871 CD1 TYR A 57 -10.511 -3.875 -4.047 1.00 0.00 C ATOM 872 CD2 TYR A 57 -8.973 -2.720 -2.639 1.00 0.00 C ATOM 873 CE1 TYR A 57 -10.057 -3.160 -5.138 1.00 0.00 C ATOM 874 CE2 TYR A 57 -8.513 -2.000 -3.725 1.00 0.00 C ATOM 875 CZ TYR A 57 -9.058 -2.223 -4.972 1.00 0.00 C ATOM 876 OH TYR A 57 -8.604 -1.508 -6.056 1.00 0.00 O ATOM 0 H TYR A 57 -11.416 -5.138 0.588 1.00 0.00 H new ATOM 0 HA TYR A 57 -11.949 -2.986 -1.041 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -9.794 -4.306 -0.753 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -10.459 -5.518 -1.831 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -11.294 -4.607 -4.181 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -8.544 -2.542 -1.664 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -10.482 -3.333 -6.116 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -7.731 -1.266 -3.598 1.00 0.00 H new ATOM 0 HH TYR A 57 -8.299 -0.625 -5.761 1.00 0.00 H new ATOM 886 N LYS A 58 -13.533 -5.647 -1.986 1.00 0.00 N ATOM 887 CA LYS A 58 -14.523 -6.172 -2.919 1.00 0.00 C ATOM 888 C LYS A 58 -15.647 -5.166 -3.143 1.00 0.00 C ATOM 889 O LYS A 58 -16.263 -5.137 -4.208 1.00 0.00 O ATOM 890 CB LYS A 58 -15.100 -7.489 -2.394 1.00 0.00 C ATOM 891 CG LYS A 58 -15.991 -7.320 -1.176 1.00 0.00 C ATOM 892 CD LYS A 58 -16.724 -8.607 -0.838 1.00 0.00 C ATOM 893 CE LYS A 58 -17.525 -8.471 0.448 1.00 0.00 C ATOM 894 NZ LYS A 58 -18.712 -9.371 0.459 1.00 0.00 N ATOM 0 H LYS A 58 -13.378 -6.231 -1.164 1.00 0.00 H new ATOM 0 HA LYS A 58 -14.027 -6.354 -3.872 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -15.672 -7.968 -3.189 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -14.279 -8.161 -2.143 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -15.388 -7.009 -0.323 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -16.715 -6.526 -1.361 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -17.392 -8.873 -1.657 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -16.005 -9.420 -0.736 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -16.886 -8.702 1.300 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -17.851 -7.438 0.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -19.232 -9.249 1.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -19.335 -9.134 -0.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -18.399 -10.359 0.373 1.00 0.00 H new ATOM 908 N SER A 59 -15.907 -4.341 -2.134 1.00 0.00 N ATOM 909 CA SER A 59 -16.958 -3.334 -2.221 1.00 0.00 C ATOM 910 C SER A 59 -16.442 -1.970 -1.774 1.00 0.00 C ATOM 911 O SER A 59 -17.169 -1.189 -1.157 1.00 0.00 O ATOM 912 CB SER A 59 -18.158 -3.744 -1.364 1.00 0.00 C ATOM 913 OG SER A 59 -19.326 -3.043 -1.754 1.00 0.00 O ATOM 0 H SER A 59 -15.404 -4.350 -1.247 1.00 0.00 H new ATOM 0 HA SER A 59 -17.272 -3.261 -3.262 1.00 0.00 H new ATOM 0 HB2 SER A 59 -18.326 -4.817 -1.457 1.00 0.00 H new ATOM 0 HB3 SER A 59 -17.944 -3.545 -0.314 1.00 0.00 H new ATOM 0 HG SER A 59 -19.150 -2.079 -1.736 1.00 0.00 H new ATOM 919 N LEU A 60 -15.182 -1.689 -2.088 1.00 0.00 N ATOM 920 CA LEU A 60 -14.567 -0.419 -1.720 1.00 0.00 C ATOM 921 C LEU A 60 -14.593 0.559 -2.891 1.00 0.00 C ATOM 922 O LEU A 60 -15.112 0.247 -3.961 1.00 0.00 O ATOM 923 CB LEU A 60 -13.125 -0.642 -1.259 1.00 0.00 C ATOM 924 CG LEU A 60 -12.949 -1.131 0.179 1.00 0.00 C ATOM 925 CD1 LEU A 60 -11.494 -1.015 0.607 1.00 0.00 C ATOM 926 CD2 LEU A 60 -13.849 -0.349 1.123 1.00 0.00 C ATOM 0 H LEU A 60 -14.567 -2.324 -2.597 1.00 0.00 H new ATOM 0 HA LEU A 60 -15.142 0.010 -0.899 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -12.659 -1.366 -1.927 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -12.579 0.295 -1.373 1.00 0.00 H new ATOM 0 HG LEU A 60 -13.237 -2.181 0.223 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -11.387 -1.367 1.633 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -10.872 -1.621 -0.051 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -11.179 0.027 0.547 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -13.710 -0.711 2.142 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -13.593 0.710 1.076 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -14.890 -0.484 0.829 1.00 0.00 H new ATOM 938 N ASN A 61 -14.026 1.742 -2.679 1.00 0.00 N ATOM 939 CA ASN A 61 -13.983 2.765 -3.718 1.00 0.00 C ATOM 940 C ASN A 61 -13.029 3.892 -3.332 1.00 0.00 C ATOM 941 O ASN A 61 -12.689 4.078 -2.163 1.00 0.00 O ATOM 942 CB ASN A 61 -15.383 3.330 -3.966 1.00 0.00 C ATOM 943 CG ASN A 61 -16.170 2.504 -4.965 1.00 0.00 C ATOM 944 OD1 ASN A 61 -15.547 2.194 -6.096 1.00 0.00 O flip ATOM 945 ND2 ASN A 61 -17.324 2.151 -4.723 1.00 0.00 N flip ATOM 0 H ASN A 61 -13.590 2.016 -1.798 1.00 0.00 H new ATOM 0 HA ASN A 61 -13.618 2.301 -4.635 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -15.928 3.371 -3.023 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -15.300 4.354 -4.331 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -17.763 2.412 -3.840 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -17.842 1.597 -5.405 1.00 0.00 H new ATOM 952 N PRO A 62 -12.587 4.664 -4.336 1.00 0.00 N ATOM 953 CA PRO A 62 -11.668 5.786 -4.127 1.00 0.00 C ATOM 954 C PRO A 62 -12.330 6.949 -3.395 1.00 0.00 C ATOM 955 O PRO A 62 -11.721 8.001 -3.206 1.00 0.00 O ATOM 956 CB PRO A 62 -11.284 6.200 -5.550 1.00 0.00 C ATOM 957 CG PRO A 62 -12.426 5.753 -6.396 1.00 0.00 C ATOM 958 CD PRO A 62 -12.952 4.500 -5.754 1.00 0.00 C ATOM 0 HA PRO A 62 -10.818 5.506 -3.505 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -11.136 7.277 -5.622 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -10.352 5.728 -5.862 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -13.199 6.520 -6.445 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -12.102 5.561 -7.419 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -14.030 4.405 -5.883 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -12.499 3.607 -6.185 1.00 0.00 H new ATOM 966 N GLN A 63 -13.579 6.750 -2.986 1.00 0.00 N ATOM 967 CA GLN A 63 -14.323 7.783 -2.275 1.00 0.00 C ATOM 968 C GLN A 63 -13.918 7.831 -0.805 1.00 0.00 C ATOM 969 O GLN A 63 -14.129 8.836 -0.126 1.00 0.00 O ATOM 970 CB GLN A 63 -15.827 7.532 -2.394 1.00 0.00 C ATOM 971 CG GLN A 63 -16.237 6.113 -2.038 1.00 0.00 C ATOM 972 CD GLN A 63 -15.781 5.704 -0.652 1.00 0.00 C ATOM 973 OE1 GLN A 63 -15.815 6.501 0.286 1.00 0.00 O ATOM 974 NE2 GLN A 63 -15.350 4.456 -0.514 1.00 0.00 N ATOM 0 H GLN A 63 -14.097 5.884 -3.135 1.00 0.00 H new ATOM 0 HA GLN A 63 -14.086 8.745 -2.730 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -16.356 8.228 -1.743 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -16.143 7.747 -3.415 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -17.322 6.026 -2.100 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -15.820 5.423 -2.772 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -15.339 3.829 -1.318 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -15.030 4.125 0.396 1.00 0.00 H new ATOM 983 N ASP A 64 -13.337 6.739 -0.321 1.00 0.00 N ATOM 984 CA ASP A 64 -12.903 6.656 1.069 1.00 0.00 C ATOM 985 C ASP A 64 -11.393 6.848 1.178 1.00 0.00 C ATOM 986 O ASP A 64 -10.617 6.031 0.682 1.00 0.00 O ATOM 987 CB ASP A 64 -13.303 5.309 1.671 1.00 0.00 C ATOM 988 CG ASP A 64 -14.700 5.330 2.260 1.00 0.00 C ATOM 989 OD1 ASP A 64 -15.170 6.426 2.633 1.00 0.00 O ATOM 990 OD2 ASP A 64 -15.323 4.252 2.348 1.00 0.00 O ATOM 0 H ASP A 64 -13.156 5.899 -0.870 1.00 0.00 H new ATOM 0 HA ASP A 64 -13.394 7.454 1.626 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -13.248 4.540 0.901 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -12.589 5.035 2.447 1.00 0.00 H new ATOM 995 N ILE A 65 -10.985 7.932 1.829 1.00 0.00 N ATOM 996 CA ILE A 65 -9.569 8.230 2.003 1.00 0.00 C ATOM 997 C ILE A 65 -9.095 7.848 3.401 1.00 0.00 C ATOM 998 O ILE A 65 -8.053 7.211 3.563 1.00 0.00 O ATOM 999 CB ILE A 65 -9.275 9.723 1.764 1.00 0.00 C ATOM 1000 CG1 ILE A 65 -9.611 10.106 0.322 1.00 0.00 C ATOM 1001 CG2 ILE A 65 -7.817 10.031 2.073 1.00 0.00 C ATOM 1002 CD1 ILE A 65 -9.452 11.583 0.036 1.00 0.00 C ATOM 0 H ILE A 65 -11.615 8.618 2.245 1.00 0.00 H new ATOM 0 HA ILE A 65 -9.029 7.638 1.264 1.00 0.00 H new ATOM 0 HB ILE A 65 -9.901 10.314 2.433 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -8.968 9.542 -0.354 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -10.638 9.811 0.106 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -7.624 11.090 1.900 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -7.607 9.790 3.115 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -7.174 9.434 1.426 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -9.707 11.782 -1.005 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -10.115 12.153 0.687 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -8.419 11.880 0.220 1.00 0.00 H new ATOM 1014 N LYS A 66 -9.866 8.239 4.410 1.00 0.00 N ATOM 1015 CA LYS A 66 -9.528 7.935 5.795 1.00 0.00 C ATOM 1016 C LYS A 66 -9.815 6.472 6.117 1.00 0.00 C ATOM 1017 O LYS A 66 -8.998 5.793 6.738 1.00 0.00 O ATOM 1018 CB LYS A 66 -10.316 8.841 6.744 1.00 0.00 C ATOM 1019 CG LYS A 66 -9.709 8.941 8.133 1.00 0.00 C ATOM 1020 CD LYS A 66 -10.526 9.853 9.034 1.00 0.00 C ATOM 1021 CE LYS A 66 -10.475 11.297 8.559 1.00 0.00 C ATOM 1022 NZ LYS A 66 -11.180 12.214 9.496 1.00 0.00 N ATOM 0 H LYS A 66 -10.730 8.768 4.294 1.00 0.00 H new ATOM 0 HA LYS A 66 -8.462 8.116 5.931 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -10.379 9.839 6.311 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -11.336 8.465 6.828 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -9.649 7.947 8.577 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -8.689 9.319 8.059 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -11.561 9.512 9.056 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -10.149 9.791 10.055 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -9.436 11.610 8.458 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -10.927 11.370 7.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -11.123 13.188 9.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -12.178 11.932 9.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -10.733 12.164 10.433 1.00 0.00 H new ATOM 1036 N GLU A 67 -10.979 5.994 5.689 1.00 0.00 N ATOM 1037 CA GLU A 67 -11.371 4.611 5.932 1.00 0.00 C ATOM 1038 C GLU A 67 -10.442 3.645 5.202 1.00 0.00 C ATOM 1039 O GLU A 67 -9.716 2.873 5.828 1.00 0.00 O ATOM 1040 CB GLU A 67 -12.816 4.381 5.485 1.00 0.00 C ATOM 1041 CG GLU A 67 -13.352 3.004 5.840 1.00 0.00 C ATOM 1042 CD GLU A 67 -14.859 2.989 6.004 1.00 0.00 C ATOM 1043 OE1 GLU A 67 -15.538 3.787 5.325 1.00 0.00 O ATOM 1044 OE2 GLU A 67 -15.360 2.178 6.811 1.00 0.00 O ATOM 0 H GLU A 67 -11.666 6.543 5.173 1.00 0.00 H new ATOM 0 HA GLU A 67 -11.295 4.422 7.003 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -13.453 5.138 5.941 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -12.880 4.519 4.406 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -13.068 2.296 5.061 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -12.886 2.664 6.765 1.00 0.00 H new ATOM 1051 N ASN A 68 -10.471 3.695 3.875 1.00 0.00 N ATOM 1052 CA ASN A 68 -9.632 2.825 3.058 1.00 0.00 C ATOM 1053 C ASN A 68 -8.279 2.593 3.724 1.00 0.00 C ATOM 1054 O ASN A 68 -7.897 1.456 3.995 1.00 0.00 O ATOM 1055 CB ASN A 68 -9.433 3.432 1.668 1.00 0.00 C ATOM 1056 CG ASN A 68 -10.613 3.177 0.751 1.00 0.00 C ATOM 1057 OD1 ASN A 68 -11.650 2.672 1.181 1.00 0.00 O ATOM 1058 ND2 ASN A 68 -10.460 3.527 -0.521 1.00 0.00 N ATOM 0 H ASN A 68 -11.066 4.329 3.342 1.00 0.00 H new ATOM 0 HA ASN A 68 -10.137 1.864 2.958 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -9.276 4.506 1.763 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -8.531 3.016 1.219 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -11.220 3.380 -1.185 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -9.583 3.943 -0.834 1.00 0.00 H new ATOM 1065 N ASN A 69 -7.560 3.680 3.984 1.00 0.00 N ATOM 1066 CA ASN A 69 -6.249 3.595 4.617 1.00 0.00 C ATOM 1067 C ASN A 69 -6.339 2.875 5.959 1.00 0.00 C ATOM 1068 O ASN A 69 -5.594 1.930 6.221 1.00 0.00 O ATOM 1069 CB ASN A 69 -5.664 4.995 4.815 1.00 0.00 C ATOM 1070 CG ASN A 69 -4.894 5.477 3.601 1.00 0.00 C ATOM 1071 OD1 ASN A 69 -3.663 5.477 3.592 1.00 0.00 O ATOM 1072 ND2 ASN A 69 -5.618 5.892 2.568 1.00 0.00 N ATOM 0 H ASN A 69 -7.863 4.629 3.766 1.00 0.00 H new ATOM 0 HA ASN A 69 -5.592 3.023 3.961 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -6.471 5.695 5.032 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -5.004 4.991 5.682 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -5.156 6.228 1.723 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -6.637 5.874 2.619 1.00 0.00 H new ATOM 1079 N LYS A 70 -7.257 3.328 6.807 1.00 0.00 N ATOM 1080 CA LYS A 70 -7.447 2.727 8.122 1.00 0.00 C ATOM 1081 C LYS A 70 -7.574 1.211 8.014 1.00 0.00 C ATOM 1082 O LYS A 70 -6.956 0.469 8.779 1.00 0.00 O ATOM 1083 CB LYS A 70 -8.693 3.307 8.795 1.00 0.00 C ATOM 1084 CG LYS A 70 -9.081 2.590 10.077 1.00 0.00 C ATOM 1085 CD LYS A 70 -9.793 3.523 11.043 1.00 0.00 C ATOM 1086 CE LYS A 70 -10.340 2.768 12.245 1.00 0.00 C ATOM 1087 NZ LYS A 70 -9.250 2.195 13.082 1.00 0.00 N ATOM 0 H LYS A 70 -7.881 4.110 6.607 1.00 0.00 H new ATOM 0 HA LYS A 70 -6.572 2.958 8.730 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -8.520 4.360 9.016 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -9.528 3.261 8.096 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -9.728 1.745 9.841 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -8.188 2.184 10.553 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -9.102 4.295 11.381 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -10.609 4.029 10.527 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -10.948 3.440 12.851 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -10.995 1.967 11.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -9.661 1.732 13.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -8.716 1.496 12.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -8.610 2.956 13.387 1.00 0.00 H new ATOM 1101 N LYS A 71 -8.377 0.755 7.058 1.00 0.00 N ATOM 1102 CA LYS A 71 -8.583 -0.673 6.848 1.00 0.00 C ATOM 1103 C LYS A 71 -7.250 -1.414 6.804 1.00 0.00 C ATOM 1104 O LYS A 71 -6.990 -2.291 7.627 1.00 0.00 O ATOM 1105 CB LYS A 71 -9.354 -0.912 5.547 1.00 0.00 C ATOM 1106 CG LYS A 71 -10.739 -0.288 5.539 1.00 0.00 C ATOM 1107 CD LYS A 71 -11.717 -1.114 4.720 1.00 0.00 C ATOM 1108 CE LYS A 71 -12.531 -2.049 5.602 1.00 0.00 C ATOM 1109 NZ LYS A 71 -11.714 -3.186 6.108 1.00 0.00 N ATOM 0 H LYS A 71 -8.896 1.354 6.416 1.00 0.00 H new ATOM 0 HA LYS A 71 -9.166 -1.058 7.685 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -8.778 -0.509 4.714 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -9.447 -1.985 5.381 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -11.105 -0.198 6.562 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -10.682 0.721 5.131 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -12.388 -0.450 4.175 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -11.171 -1.696 3.977 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -12.937 -1.490 6.445 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -13.379 -2.435 5.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -12.313 -3.818 6.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -11.319 -3.714 5.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -10.939 -2.821 6.697 1.00 0.00 H new ATOM 1123 N ALA A 72 -6.410 -1.055 5.839 1.00 0.00 N ATOM 1124 CA ALA A 72 -5.103 -1.684 5.691 1.00 0.00 C ATOM 1125 C ALA A 72 -4.363 -1.733 7.023 1.00 0.00 C ATOM 1126 O ALA A 72 -4.158 -2.805 7.591 1.00 0.00 O ATOM 1127 CB ALA A 72 -4.275 -0.942 4.652 1.00 0.00 C ATOM 0 H ALA A 72 -6.611 -0.332 5.148 1.00 0.00 H new ATOM 0 HA ALA A 72 -5.257 -2.709 5.353 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -3.302 -1.422 4.552 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -4.791 -0.964 3.692 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -4.138 0.093 4.967 1.00 0.00 H new ATOM 1133 N TYR A 73 -3.964 -0.565 7.516 1.00 0.00 N ATOM 1134 CA TYR A 73 -3.244 -0.475 8.780 1.00 0.00 C ATOM 1135 C TYR A 73 -3.729 -1.539 9.760 1.00 0.00 C ATOM 1136 O TYR A 73 -2.928 -2.222 10.398 1.00 0.00 O ATOM 1137 CB TYR A 73 -3.418 0.915 9.393 1.00 0.00 C ATOM 1138 CG TYR A 73 -3.032 2.041 8.459 1.00 0.00 C ATOM 1139 CD1 TYR A 73 -1.925 1.929 7.626 1.00 0.00 C ATOM 1140 CD2 TYR A 73 -3.772 3.215 8.412 1.00 0.00 C ATOM 1141 CE1 TYR A 73 -1.568 2.955 6.772 1.00 0.00 C ATOM 1142 CE2 TYR A 73 -3.423 4.245 7.560 1.00 0.00 C ATOM 1143 CZ TYR A 73 -2.320 4.111 6.743 1.00 0.00 C ATOM 1144 OH TYR A 73 -1.969 5.135 5.894 1.00 0.00 O ATOM 0 H TYR A 73 -4.127 0.332 7.059 1.00 0.00 H new ATOM 0 HA TYR A 73 -2.186 -0.646 8.579 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -4.458 1.043 9.693 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -2.815 0.982 10.298 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -1.334 1.025 7.647 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -4.635 3.325 9.052 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -0.705 2.852 6.131 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -4.011 5.151 7.534 1.00 0.00 H new ATOM 0 HH TYR A 73 -2.600 5.170 5.145 1.00 0.00 H new ATOM 1154 N ASP A 74 -5.045 -1.674 9.873 1.00 0.00 N ATOM 1155 CA ASP A 74 -5.639 -2.656 10.773 1.00 0.00 C ATOM 1156 C ASP A 74 -5.158 -4.064 10.436 1.00 0.00 C ATOM 1157 O ASP A 74 -4.777 -4.829 11.320 1.00 0.00 O ATOM 1158 CB ASP A 74 -7.165 -2.592 10.696 1.00 0.00 C ATOM 1159 CG ASP A 74 -7.834 -3.369 11.813 1.00 0.00 C ATOM 1160 OD1 ASP A 74 -7.197 -4.296 12.356 1.00 0.00 O ATOM 1161 OD2 ASP A 74 -8.995 -3.050 12.145 1.00 0.00 O ATOM 0 H ASP A 74 -5.722 -1.116 9.353 1.00 0.00 H new ATOM 0 HA ASP A 74 -5.324 -2.418 11.789 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -7.485 -1.551 10.739 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -7.494 -2.987 9.735 1.00 0.00 H new ATOM 1166 N GLY A 75 -5.180 -4.399 9.149 1.00 0.00 N ATOM 1167 CA GLY A 75 -4.745 -5.714 8.718 1.00 0.00 C ATOM 1168 C GLY A 75 -3.236 -5.857 8.724 1.00 0.00 C ATOM 1169 O GLY A 75 -2.693 -6.753 9.371 1.00 0.00 O ATOM 0 H GLY A 75 -5.491 -3.783 8.398 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -5.181 -6.470 9.371 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -5.121 -5.906 7.713 1.00 0.00 H new ATOM 1173 N PHE A 76 -2.556 -4.973 8.002 1.00 0.00 N ATOM 1174 CA PHE A 76 -1.100 -5.006 7.924 1.00 0.00 C ATOM 1175 C PHE A 76 -0.484 -5.112 9.317 1.00 0.00 C ATOM 1176 O PHE A 76 0.452 -5.879 9.536 1.00 0.00 O ATOM 1177 CB PHE A 76 -0.577 -3.755 7.216 1.00 0.00 C ATOM 1178 CG PHE A 76 -0.860 -3.739 5.741 1.00 0.00 C ATOM 1179 CD1 PHE A 76 -0.639 -4.867 4.968 1.00 0.00 C ATOM 1180 CD2 PHE A 76 -1.345 -2.595 5.128 1.00 0.00 C ATOM 1181 CE1 PHE A 76 -0.899 -4.856 3.610 1.00 0.00 C ATOM 1182 CE2 PHE A 76 -1.607 -2.578 3.771 1.00 0.00 C ATOM 1183 CZ PHE A 76 -1.382 -3.709 3.011 1.00 0.00 C ATOM 0 H PHE A 76 -2.990 -4.224 7.462 1.00 0.00 H new ATOM 0 HA PHE A 76 -0.811 -5.886 7.350 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -1.026 -2.874 7.674 1.00 0.00 H new ATOM 0 HB3 PHE A 76 0.499 -3.682 7.372 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -0.259 -5.766 5.431 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -1.520 -1.707 5.717 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -0.725 -5.743 3.019 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -1.987 -1.681 3.305 1.00 0.00 H new ATOM 0 HZ PHE A 76 -1.583 -3.697 1.950 1.00 0.00 H new ATOM 1193 N ALA A 77 -1.017 -4.334 10.253 1.00 0.00 N ATOM 1194 CA ALA A 77 -0.522 -4.340 11.624 1.00 0.00 C ATOM 1195 C ALA A 77 -0.881 -5.642 12.332 1.00 0.00 C ATOM 1196 O ALA A 77 -0.153 -6.103 13.211 1.00 0.00 O ATOM 1197 CB ALA A 77 -1.077 -3.149 12.391 1.00 0.00 C ATOM 0 H ALA A 77 -1.792 -3.692 10.087 1.00 0.00 H new ATOM 0 HA ALA A 77 0.565 -4.263 11.592 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -0.699 -3.166 13.413 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -0.765 -2.225 11.904 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -2.166 -3.201 12.406 1.00 0.00 H new ATOM 1203 N SER A 78 -2.008 -6.230 11.944 1.00 0.00 N ATOM 1204 CA SER A 78 -2.466 -7.477 12.544 1.00 0.00 C ATOM 1205 C SER A 78 -1.319 -8.476 12.664 1.00 0.00 C ATOM 1206 O SER A 78 -1.102 -9.065 13.724 1.00 0.00 O ATOM 1207 CB SER A 78 -3.600 -8.082 11.714 1.00 0.00 C ATOM 1208 OG SER A 78 -4.159 -9.212 12.361 1.00 0.00 O ATOM 0 H SER A 78 -2.621 -5.862 11.216 1.00 0.00 H new ATOM 0 HA SER A 78 -2.837 -7.255 13.544 1.00 0.00 H new ATOM 0 HB2 SER A 78 -4.375 -7.333 11.550 1.00 0.00 H new ATOM 0 HB3 SER A 78 -3.223 -8.370 10.733 1.00 0.00 H new ATOM 0 HG SER A 78 -4.882 -9.579 11.811 1.00 0.00 H new ATOM 1214 N ILE A 79 -0.588 -8.661 11.570 1.00 0.00 N ATOM 1215 CA ILE A 79 0.538 -9.587 11.552 1.00 0.00 C ATOM 1216 C ILE A 79 1.708 -9.046 12.366 1.00 0.00 C ATOM 1217 O ILE A 79 2.366 -9.787 13.095 1.00 0.00 O ATOM 1218 CB ILE A 79 1.013 -9.868 10.114 1.00 0.00 C ATOM 1219 CG1 ILE A 79 1.252 -8.554 9.367 1.00 0.00 C ATOM 1220 CG2 ILE A 79 -0.006 -10.724 9.377 1.00 0.00 C ATOM 1221 CD1 ILE A 79 1.888 -8.739 8.007 1.00 0.00 C ATOM 0 H ILE A 79 -0.755 -8.182 10.685 1.00 0.00 H new ATOM 0 HA ILE A 79 0.188 -10.518 11.998 1.00 0.00 H new ATOM 0 HB ILE A 79 1.954 -10.416 10.159 1.00 0.00 H new ATOM 0 HG12 ILE A 79 0.301 -8.036 9.247 1.00 0.00 H new ATOM 0 HG13 ILE A 79 1.891 -7.912 9.973 1.00 0.00 H new ATOM 0 HG21 ILE A 79 0.344 -10.914 8.362 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -0.132 -11.672 9.901 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -0.961 -10.201 9.339 1.00 0.00 H new ATOM 0 HD11 ILE A 79 2.028 -7.766 7.535 1.00 0.00 H new ATOM 0 HD12 ILE A 79 2.855 -9.229 8.121 1.00 0.00 H new ATOM 0 HD13 ILE A 79 1.240 -9.355 7.383 1.00 0.00 H new ATOM 1233 N GLY A 80 1.961 -7.747 12.237 1.00 0.00 N ATOM 1234 CA GLY A 80 3.051 -7.128 12.967 1.00 0.00 C ATOM 1235 C GLY A 80 3.730 -6.028 12.174 1.00 0.00 C ATOM 1236 O GLY A 80 4.946 -5.852 12.260 1.00 0.00 O ATOM 0 H GLY A 80 1.430 -7.113 11.640 1.00 0.00 H new ATOM 0 HA2 GLY A 80 2.670 -6.716 13.902 1.00 0.00 H new ATOM 0 HA3 GLY A 80 3.786 -7.889 13.230 1.00 0.00 H new ATOM 1240 N ILE A 81 2.944 -5.288 11.400 1.00 0.00 N ATOM 1241 CA ILE A 81 3.477 -4.201 10.588 1.00 0.00 C ATOM 1242 C ILE A 81 3.170 -2.845 11.215 1.00 0.00 C ATOM 1243 O ILE A 81 2.059 -2.330 11.092 1.00 0.00 O ATOM 1244 CB ILE A 81 2.905 -4.233 9.158 1.00 0.00 C ATOM 1245 CG1 ILE A 81 3.302 -5.534 8.456 1.00 0.00 C ATOM 1246 CG2 ILE A 81 3.389 -3.028 8.367 1.00 0.00 C ATOM 1247 CD1 ILE A 81 2.911 -5.575 6.995 1.00 0.00 C ATOM 0 H ILE A 81 1.936 -5.421 11.318 1.00 0.00 H new ATOM 0 HA ILE A 81 4.557 -4.342 10.542 1.00 0.00 H new ATOM 0 HB ILE A 81 1.817 -4.191 9.216 1.00 0.00 H new ATOM 0 HG12 ILE A 81 4.381 -5.668 8.539 1.00 0.00 H new ATOM 0 HG13 ILE A 81 2.836 -6.373 8.972 1.00 0.00 H new ATOM 0 HG21 ILE A 81 2.976 -3.065 7.359 1.00 0.00 H new ATOM 0 HG22 ILE A 81 3.061 -2.113 8.860 1.00 0.00 H new ATOM 0 HG23 ILE A 81 4.478 -3.041 8.314 1.00 0.00 H new ATOM 0 HD11 ILE A 81 3.223 -6.525 6.561 1.00 0.00 H new ATOM 0 HD12 ILE A 81 1.830 -5.473 6.905 1.00 0.00 H new ATOM 0 HD13 ILE A 81 3.398 -4.757 6.465 1.00 0.00 H new ATOM 1259 N SER A 82 4.164 -2.272 11.887 1.00 0.00 N ATOM 1260 CA SER A 82 4.001 -0.977 12.536 1.00 0.00 C ATOM 1261 C SER A 82 3.324 0.019 11.599 1.00 0.00 C ATOM 1262 O SER A 82 3.447 -0.079 10.377 1.00 0.00 O ATOM 1263 CB SER A 82 5.358 -0.431 12.983 1.00 0.00 C ATOM 1264 OG SER A 82 6.249 -0.320 11.886 1.00 0.00 O ATOM 0 H SER A 82 5.090 -2.685 11.996 1.00 0.00 H new ATOM 0 HA SER A 82 3.367 -1.115 13.412 1.00 0.00 H new ATOM 0 HB2 SER A 82 5.225 0.546 13.448 1.00 0.00 H new ATOM 0 HB3 SER A 82 5.787 -1.089 13.739 1.00 0.00 H new ATOM 0 HG SER A 82 7.109 0.033 12.197 1.00 0.00 H new ATOM 1270 N ARG A 83 2.608 0.976 12.179 1.00 0.00 N ATOM 1271 CA ARG A 83 1.910 1.989 11.397 1.00 0.00 C ATOM 1272 C ARG A 83 2.735 3.270 11.305 1.00 0.00 C ATOM 1273 O ARG A 83 2.801 4.048 12.257 1.00 0.00 O ATOM 1274 CB ARG A 83 0.545 2.293 12.019 1.00 0.00 C ATOM 1275 CG ARG A 83 -0.416 1.117 11.981 1.00 0.00 C ATOM 1276 CD ARG A 83 -0.209 0.190 13.168 1.00 0.00 C ATOM 1277 NE ARG A 83 -0.908 0.662 14.360 1.00 0.00 N ATOM 1278 CZ ARG A 83 -0.567 0.318 15.597 1.00 0.00 C ATOM 1279 NH1 ARG A 83 0.459 -0.496 15.803 1.00 0.00 N ATOM 1280 NH2 ARG A 83 -1.252 0.790 16.631 1.00 0.00 N ATOM 0 H ARG A 83 2.496 1.071 13.188 1.00 0.00 H new ATOM 0 HA ARG A 83 1.765 1.598 10.390 1.00 0.00 H new ATOM 0 HB2 ARG A 83 0.688 2.602 13.055 1.00 0.00 H new ATOM 0 HB3 ARG A 83 0.095 3.136 11.494 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -1.442 1.484 11.979 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -0.275 0.560 11.054 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -0.562 -0.809 12.913 1.00 0.00 H new ATOM 0 HD3 ARG A 83 0.857 0.107 13.382 1.00 0.00 H new ATOM 0 HE ARG A 83 -1.702 1.290 14.236 1.00 0.00 H new ATOM 0 HH11 ARG A 83 0.989 -0.860 15.011 1.00 0.00 H new ATOM 0 HH12 ARG A 83 0.719 -0.759 16.754 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -2.041 1.417 16.476 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -0.989 0.525 17.580 1.00 0.00 H new ATOM 1294 N LEU A 84 3.364 3.481 10.154 1.00 0.00 N ATOM 1295 CA LEU A 84 4.186 4.666 9.937 1.00 0.00 C ATOM 1296 C LEU A 84 3.333 5.842 9.471 1.00 0.00 C ATOM 1297 O LEU A 84 3.485 6.964 9.957 1.00 0.00 O ATOM 1298 CB LEU A 84 5.277 4.373 8.907 1.00 0.00 C ATOM 1299 CG LEU A 84 6.392 3.429 9.360 1.00 0.00 C ATOM 1300 CD1 LEU A 84 5.907 1.988 9.353 1.00 0.00 C ATOM 1301 CD2 LEU A 84 7.617 3.585 8.471 1.00 0.00 C ATOM 0 H LEU A 84 3.320 2.847 9.357 1.00 0.00 H new ATOM 0 HA LEU A 84 4.653 4.932 10.885 1.00 0.00 H new ATOM 0 HB2 LEU A 84 4.807 3.948 8.020 1.00 0.00 H new ATOM 0 HB3 LEU A 84 5.728 5.319 8.607 1.00 0.00 H new ATOM 0 HG LEU A 84 6.672 3.692 10.380 1.00 0.00 H new ATOM 0 HD11 LEU A 84 6.714 1.331 9.678 1.00 0.00 H new ATOM 0 HD12 LEU A 84 5.060 1.886 10.032 1.00 0.00 H new ATOM 0 HD13 LEU A 84 5.599 1.713 8.344 1.00 0.00 H new ATOM 0 HD21 LEU A 84 8.400 2.906 8.808 1.00 0.00 H new ATOM 0 HD22 LEU A 84 7.351 3.349 7.441 1.00 0.00 H new ATOM 0 HD23 LEU A 84 7.979 4.612 8.527 1.00 0.00 H new ATOM 1313 N LEU A 85 2.436 5.578 8.528 1.00 0.00 N ATOM 1314 CA LEU A 85 1.556 6.614 7.997 1.00 0.00 C ATOM 1315 C LEU A 85 0.159 6.502 8.597 1.00 0.00 C ATOM 1316 O LEU A 85 -0.283 5.414 8.966 1.00 0.00 O ATOM 1317 CB LEU A 85 1.478 6.512 6.473 1.00 0.00 C ATOM 1318 CG LEU A 85 0.847 7.704 5.752 1.00 0.00 C ATOM 1319 CD1 LEU A 85 1.766 8.914 5.815 1.00 0.00 C ATOM 1320 CD2 LEU A 85 0.531 7.347 4.307 1.00 0.00 C ATOM 0 H LEU A 85 2.298 4.656 8.115 1.00 0.00 H new ATOM 0 HA LEU A 85 1.972 7.584 8.270 1.00 0.00 H new ATOM 0 HB2 LEU A 85 2.487 6.372 6.086 1.00 0.00 H new ATOM 0 HB3 LEU A 85 0.911 5.617 6.217 1.00 0.00 H new ATOM 0 HG LEU A 85 -0.086 7.956 6.256 1.00 0.00 H new ATOM 0 HD11 LEU A 85 1.300 9.752 5.297 1.00 0.00 H new ATOM 0 HD12 LEU A 85 1.942 9.184 6.856 1.00 0.00 H new ATOM 0 HD13 LEU A 85 2.716 8.675 5.337 1.00 0.00 H new ATOM 0 HD21 LEU A 85 0.083 8.207 3.809 1.00 0.00 H new ATOM 0 HD22 LEU A 85 1.450 7.068 3.792 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -0.167 6.510 4.283 1.00 0.00 H new ATOM 1332 N GLU A 86 -0.532 7.634 8.691 1.00 0.00 N ATOM 1333 CA GLU A 86 -1.880 7.662 9.246 1.00 0.00 C ATOM 1334 C GLU A 86 -2.912 7.928 8.154 1.00 0.00 C ATOM 1335 O GLU A 86 -2.638 8.591 7.153 1.00 0.00 O ATOM 1336 CB GLU A 86 -1.986 8.732 10.334 1.00 0.00 C ATOM 1337 CG GLU A 86 -0.987 8.551 11.465 1.00 0.00 C ATOM 1338 CD GLU A 86 -1.186 7.248 12.216 1.00 0.00 C ATOM 1339 OE1 GLU A 86 -0.574 6.235 11.819 1.00 0.00 O ATOM 1340 OE2 GLU A 86 -1.954 7.244 13.200 1.00 0.00 O ATOM 0 H GLU A 86 -0.181 8.543 8.390 1.00 0.00 H new ATOM 0 HA GLU A 86 -2.084 6.686 9.686 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -1.837 9.713 9.883 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -2.995 8.720 10.746 1.00 0.00 H new ATOM 0 HG2 GLU A 86 0.024 8.582 11.060 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -1.077 9.385 12.161 1.00 0.00 H new ATOM 1347 N PRO A 87 -4.129 7.399 8.348 1.00 0.00 N ATOM 1348 CA PRO A 87 -5.227 7.565 7.392 1.00 0.00 C ATOM 1349 C PRO A 87 -5.749 8.997 7.352 1.00 0.00 C ATOM 1350 O PRO A 87 -5.871 9.594 6.282 1.00 0.00 O ATOM 1351 CB PRO A 87 -6.306 6.617 7.922 1.00 0.00 C ATOM 1352 CG PRO A 87 -6.021 6.495 9.379 1.00 0.00 C ATOM 1353 CD PRO A 87 -4.527 6.597 9.518 1.00 0.00 C ATOM 0 HA PRO A 87 -4.914 7.348 6.371 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -7.305 7.016 7.746 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -6.259 5.647 7.427 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -6.520 7.284 9.942 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -6.385 5.545 9.770 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -4.243 7.081 10.452 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -4.055 5.615 9.511 1.00 0.00 H new ATOM 1361 N SER A 88 -6.057 9.543 8.524 1.00 0.00 N ATOM 1362 CA SER A 88 -6.569 10.905 8.623 1.00 0.00 C ATOM 1363 C SER A 88 -5.609 11.895 7.970 1.00 0.00 C ATOM 1364 O SER A 88 -6.021 12.753 7.189 1.00 0.00 O ATOM 1365 CB SER A 88 -6.792 11.284 10.088 1.00 0.00 C ATOM 1366 OG SER A 88 -5.618 11.075 10.853 1.00 0.00 O ATOM 0 H SER A 88 -5.961 9.063 9.419 1.00 0.00 H new ATOM 0 HA SER A 88 -7.522 10.948 8.095 1.00 0.00 H new ATOM 0 HB2 SER A 88 -7.092 12.330 10.155 1.00 0.00 H new ATOM 0 HB3 SER A 88 -7.609 10.691 10.500 1.00 0.00 H new ATOM 0 HG SER A 88 -5.786 11.326 11.785 1.00 0.00 H new ATOM 1372 N ASP A 89 -4.327 11.769 8.296 1.00 0.00 N ATOM 1373 CA ASP A 89 -3.307 12.651 7.742 1.00 0.00 C ATOM 1374 C ASP A 89 -3.540 12.883 6.252 1.00 0.00 C ATOM 1375 O ASP A 89 -3.608 14.024 5.795 1.00 0.00 O ATOM 1376 CB ASP A 89 -1.915 12.060 7.966 1.00 0.00 C ATOM 1377 CG ASP A 89 -1.412 12.283 9.379 1.00 0.00 C ATOM 1378 OD1 ASP A 89 -2.087 13.005 10.142 1.00 0.00 O ATOM 1379 OD2 ASP A 89 -0.344 11.734 9.722 1.00 0.00 O ATOM 0 H ASP A 89 -3.970 11.064 8.941 1.00 0.00 H new ATOM 0 HA ASP A 89 -3.373 13.610 8.256 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -1.939 10.991 7.757 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -1.216 12.507 7.260 1.00 0.00 H new ATOM 1384 N MET A 90 -3.661 11.794 5.500 1.00 0.00 N ATOM 1385 CA MET A 90 -3.887 11.880 4.062 1.00 0.00 C ATOM 1386 C MET A 90 -5.021 12.850 3.747 1.00 0.00 C ATOM 1387 O MET A 90 -4.935 13.636 2.804 1.00 0.00 O ATOM 1388 CB MET A 90 -4.209 10.497 3.492 1.00 0.00 C ATOM 1389 CG MET A 90 -3.140 9.457 3.780 1.00 0.00 C ATOM 1390 SD MET A 90 -1.821 9.456 2.550 1.00 0.00 S ATOM 1391 CE MET A 90 -1.829 7.738 2.046 1.00 0.00 C ATOM 0 H MET A 90 -3.606 10.842 5.862 1.00 0.00 H new ATOM 0 HA MET A 90 -2.975 12.253 3.597 1.00 0.00 H new ATOM 0 HB2 MET A 90 -5.158 10.155 3.905 1.00 0.00 H new ATOM 0 HB3 MET A 90 -4.342 10.580 2.413 1.00 0.00 H new ATOM 0 HG2 MET A 90 -2.713 9.644 4.765 1.00 0.00 H new ATOM 0 HG3 MET A 90 -3.600 8.469 3.815 1.00 0.00 H new ATOM 0 HE1 MET A 90 -0.948 7.533 1.438 1.00 0.00 H new ATOM 0 HE2 MET A 90 -1.817 7.100 2.929 1.00 0.00 H new ATOM 0 HE3 MET A 90 -2.727 7.534 1.463 1.00 0.00 H new ATOM 1401 N VAL A 91 -6.085 12.789 4.542 1.00 0.00 N ATOM 1402 CA VAL A 91 -7.236 13.663 4.348 1.00 0.00 C ATOM 1403 C VAL A 91 -6.901 15.103 4.719 1.00 0.00 C ATOM 1404 O VAL A 91 -7.200 16.034 3.970 1.00 0.00 O ATOM 1405 CB VAL A 91 -8.442 13.195 5.184 1.00 0.00 C ATOM 1406 CG1 VAL A 91 -9.646 14.089 4.929 1.00 0.00 C ATOM 1407 CG2 VAL A 91 -8.772 11.742 4.877 1.00 0.00 C ATOM 0 H VAL A 91 -6.174 12.143 5.327 1.00 0.00 H new ATOM 0 HA VAL A 91 -7.496 13.615 3.291 1.00 0.00 H new ATOM 0 HB VAL A 91 -8.181 13.269 6.240 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -10.489 13.744 5.528 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -9.402 15.115 5.204 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -9.911 14.050 3.872 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -9.627 11.428 5.477 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -9.014 11.640 3.819 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -7.912 11.116 5.115 1.00 0.00 H new ATOM 1417 N LEU A 92 -6.279 15.279 5.880 1.00 0.00 N ATOM 1418 CA LEU A 92 -5.903 16.608 6.352 1.00 0.00 C ATOM 1419 C LEU A 92 -5.166 17.383 5.264 1.00 0.00 C ATOM 1420 O LEU A 92 -5.604 18.455 4.846 1.00 0.00 O ATOM 1421 CB LEU A 92 -5.025 16.497 7.599 1.00 0.00 C ATOM 1422 CG LEU A 92 -5.618 15.712 8.770 1.00 0.00 C ATOM 1423 CD1 LEU A 92 -4.574 15.501 9.855 1.00 0.00 C ATOM 1424 CD2 LEU A 92 -6.835 16.432 9.332 1.00 0.00 C ATOM 0 H LEU A 92 -6.025 14.519 6.511 1.00 0.00 H new ATOM 0 HA LEU A 92 -6.815 17.150 6.604 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -4.082 16.030 7.315 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -4.790 17.504 7.944 1.00 0.00 H new ATOM 0 HG LEU A 92 -5.934 14.735 8.404 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -5.014 14.941 10.680 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -3.732 14.943 9.446 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -4.226 16.468 10.218 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -7.244 15.859 10.164 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -6.543 17.422 9.682 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -7.591 16.531 8.553 1.00 0.00 H new ATOM 1436 N LEU A 93 -4.045 16.833 4.809 1.00 0.00 N ATOM 1437 CA LEU A 93 -3.247 17.472 3.768 1.00 0.00 C ATOM 1438 C LEU A 93 -3.716 17.041 2.382 1.00 0.00 C ATOM 1439 O LEU A 93 -4.495 16.099 2.245 1.00 0.00 O ATOM 1440 CB LEU A 93 -1.768 17.128 3.949 1.00 0.00 C ATOM 1441 CG LEU A 93 -1.424 15.638 3.979 1.00 0.00 C ATOM 1442 CD1 LEU A 93 -1.263 15.099 2.566 1.00 0.00 C ATOM 1443 CD2 LEU A 93 -0.159 15.399 4.790 1.00 0.00 C ATOM 0 H LEU A 93 -3.668 15.946 5.144 1.00 0.00 H new ATOM 0 HA LEU A 93 -3.376 18.551 3.856 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -1.206 17.594 3.140 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -1.422 17.579 4.879 1.00 0.00 H new ATOM 0 HG LEU A 93 -2.245 15.105 4.458 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -1.018 14.038 2.607 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -2.194 15.236 2.016 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -0.461 15.637 2.061 1.00 0.00 H new ATOM 0 HD21 LEU A 93 0.071 14.334 4.801 1.00 0.00 H new ATOM 0 HD22 LEU A 93 0.670 15.944 4.340 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -0.310 15.748 5.812 1.00 0.00 H new ATOM 1455 N ALA A 94 -3.233 17.736 1.357 1.00 0.00 N ATOM 1456 CA ALA A 94 -3.599 17.423 -0.018 1.00 0.00 C ATOM 1457 C ALA A 94 -2.774 16.258 -0.554 1.00 0.00 C ATOM 1458 O ALA A 94 -3.317 15.209 -0.903 1.00 0.00 O ATOM 1459 CB ALA A 94 -3.423 18.648 -0.903 1.00 0.00 C ATOM 0 H ALA A 94 -2.587 18.520 1.454 1.00 0.00 H new ATOM 0 HA ALA A 94 -4.648 17.127 -0.030 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -3.700 18.400 -1.928 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -4.061 19.454 -0.540 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -2.382 18.969 -0.877 1.00 0.00 H new ATOM 1465 N ILE A 95 -1.460 16.449 -0.618 1.00 0.00 N ATOM 1466 CA ILE A 95 -0.561 15.414 -1.111 1.00 0.00 C ATOM 1467 C ILE A 95 0.395 14.950 -0.017 1.00 0.00 C ATOM 1468 O ILE A 95 1.077 15.748 0.626 1.00 0.00 O ATOM 1469 CB ILE A 95 0.258 15.908 -2.318 1.00 0.00 C ATOM 1470 CG1 ILE A 95 -0.669 16.481 -3.391 1.00 0.00 C ATOM 1471 CG2 ILE A 95 1.099 14.774 -2.887 1.00 0.00 C ATOM 1472 CD1 ILE A 95 -1.463 15.426 -4.130 1.00 0.00 C ATOM 0 H ILE A 95 -0.995 17.311 -0.334 1.00 0.00 H new ATOM 0 HA ILE A 95 -1.185 14.577 -1.424 1.00 0.00 H new ATOM 0 HB ILE A 95 0.929 16.700 -1.984 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -1.360 17.184 -2.925 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -0.075 17.046 -4.109 1.00 0.00 H new ATOM 0 HG21 ILE A 95 1.672 15.138 -3.739 1.00 0.00 H new ATOM 0 HG22 ILE A 95 1.782 14.407 -2.121 1.00 0.00 H new ATOM 0 HG23 ILE A 95 0.446 13.963 -3.209 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -2.098 15.904 -4.875 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -0.779 14.736 -4.625 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -2.084 14.876 -3.423 1.00 0.00 H new ATOM 1484 N PRO A 96 0.449 13.627 0.199 1.00 0.00 N ATOM 1485 CA PRO A 96 1.321 13.026 1.213 1.00 0.00 C ATOM 1486 C PRO A 96 2.796 13.125 0.841 1.00 0.00 C ATOM 1487 O PRO A 96 3.144 13.607 -0.236 1.00 0.00 O ATOM 1488 CB PRO A 96 0.873 11.562 1.242 1.00 0.00 C ATOM 1489 CG PRO A 96 0.291 11.317 -0.107 1.00 0.00 C ATOM 1490 CD PRO A 96 -0.335 12.617 -0.530 1.00 0.00 C ATOM 0 HA PRO A 96 1.237 13.531 2.175 1.00 0.00 H new ATOM 0 HB2 PRO A 96 1.712 10.895 1.438 1.00 0.00 H new ATOM 0 HB3 PRO A 96 0.138 11.388 2.028 1.00 0.00 H new ATOM 0 HG2 PRO A 96 1.061 11.006 -0.814 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -0.451 10.519 -0.073 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -0.272 12.761 -1.609 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -1.391 12.660 -0.264 1.00 0.00 H new ATOM 1498 N ASP A 97 3.660 12.664 1.740 1.00 0.00 N ATOM 1499 CA ASP A 97 5.099 12.699 1.506 1.00 0.00 C ATOM 1500 C ASP A 97 5.568 11.424 0.813 1.00 0.00 C ATOM 1501 O ASP A 97 5.722 10.380 1.447 1.00 0.00 O ATOM 1502 CB ASP A 97 5.848 12.882 2.827 1.00 0.00 C ATOM 1503 CG ASP A 97 5.870 14.327 3.284 1.00 0.00 C ATOM 1504 OD1 ASP A 97 6.576 15.140 2.651 1.00 0.00 O ATOM 1505 OD2 ASP A 97 5.182 14.645 4.276 1.00 0.00 O ATOM 0 H ASP A 97 3.388 12.262 2.637 1.00 0.00 H new ATOM 0 HA ASP A 97 5.316 13.546 0.855 1.00 0.00 H new ATOM 0 HB2 ASP A 97 5.379 12.268 3.596 1.00 0.00 H new ATOM 0 HB3 ASP A 97 6.871 12.524 2.714 1.00 0.00 H new ATOM 1510 N LYS A 98 5.792 11.515 -0.494 1.00 0.00 N ATOM 1511 CA LYS A 98 6.244 10.369 -1.274 1.00 0.00 C ATOM 1512 C LYS A 98 7.242 9.530 -0.482 1.00 0.00 C ATOM 1513 O LYS A 98 7.066 8.321 -0.327 1.00 0.00 O ATOM 1514 CB LYS A 98 6.882 10.838 -2.584 1.00 0.00 C ATOM 1515 CG LYS A 98 7.349 9.699 -3.475 1.00 0.00 C ATOM 1516 CD LYS A 98 8.420 10.158 -4.450 1.00 0.00 C ATOM 1517 CE LYS A 98 9.042 8.983 -5.188 1.00 0.00 C ATOM 1518 NZ LYS A 98 9.594 9.387 -6.511 1.00 0.00 N ATOM 0 H LYS A 98 5.668 12.371 -1.035 1.00 0.00 H new ATOM 0 HA LYS A 98 5.376 9.750 -1.500 1.00 0.00 H new ATOM 0 HB2 LYS A 98 6.162 11.445 -3.132 1.00 0.00 H new ATOM 0 HB3 LYS A 98 7.732 11.481 -2.355 1.00 0.00 H new ATOM 0 HG2 LYS A 98 7.740 8.890 -2.858 1.00 0.00 H new ATOM 0 HG3 LYS A 98 6.500 9.297 -4.028 1.00 0.00 H new ATOM 0 HD2 LYS A 98 7.985 10.852 -5.169 1.00 0.00 H new ATOM 0 HD3 LYS A 98 9.195 10.702 -3.911 1.00 0.00 H new ATOM 0 HE2 LYS A 98 9.837 8.552 -4.579 1.00 0.00 H new ATOM 0 HE3 LYS A 98 8.292 8.205 -5.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 10.009 8.558 -6.982 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 8.831 9.775 -7.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 10.328 10.111 -6.374 1.00 0.00 H new ATOM 1532 N LEU A 99 8.288 10.179 0.017 1.00 0.00 N ATOM 1533 CA LEU A 99 9.313 9.492 0.795 1.00 0.00 C ATOM 1534 C LEU A 99 8.690 8.704 1.942 1.00 0.00 C ATOM 1535 O LEU A 99 9.037 7.545 2.175 1.00 0.00 O ATOM 1536 CB LEU A 99 10.325 10.500 1.344 1.00 0.00 C ATOM 1537 CG LEU A 99 10.895 11.496 0.334 1.00 0.00 C ATOM 1538 CD1 LEU A 99 11.731 12.553 1.040 1.00 0.00 C ATOM 1539 CD2 LEU A 99 11.724 10.774 -0.718 1.00 0.00 C ATOM 0 H LEU A 99 8.449 11.179 -0.103 1.00 0.00 H new ATOM 0 HA LEU A 99 9.827 8.792 0.136 1.00 0.00 H new ATOM 0 HB2 LEU A 99 9.849 11.061 2.148 1.00 0.00 H new ATOM 0 HB3 LEU A 99 11.154 9.948 1.787 1.00 0.00 H new ATOM 0 HG LEU A 99 10.063 11.993 -0.165 1.00 0.00 H new ATOM 0 HD11 LEU A 99 12.128 13.253 0.305 1.00 0.00 H new ATOM 0 HD12 LEU A 99 11.109 13.091 1.755 1.00 0.00 H new ATOM 0 HD13 LEU A 99 12.556 12.073 1.567 1.00 0.00 H new ATOM 0 HD21 LEU A 99 12.122 11.499 -1.428 1.00 0.00 H new ATOM 0 HD22 LEU A 99 12.548 10.250 -0.235 1.00 0.00 H new ATOM 0 HD23 LEU A 99 11.097 10.056 -1.246 1.00 0.00 H new ATOM 1551 N THR A 100 7.765 9.339 2.656 1.00 0.00 N ATOM 1552 CA THR A 100 7.092 8.697 3.778 1.00 0.00 C ATOM 1553 C THR A 100 6.362 7.435 3.333 1.00 0.00 C ATOM 1554 O THR A 100 6.647 6.338 3.814 1.00 0.00 O ATOM 1555 CB THR A 100 6.085 9.650 4.449 1.00 0.00 C ATOM 1556 OG1 THR A 100 6.752 10.837 4.891 1.00 0.00 O ATOM 1557 CG2 THR A 100 5.405 8.974 5.630 1.00 0.00 C ATOM 0 H THR A 100 7.465 10.297 2.477 1.00 0.00 H new ATOM 0 HA THR A 100 7.865 8.431 4.499 1.00 0.00 H new ATOM 0 HB THR A 100 5.324 9.915 3.715 1.00 0.00 H new ATOM 0 HG1 THR A 100 6.145 11.364 5.452 1.00 0.00 H new ATOM 0 HG21 THR A 100 4.698 9.666 6.088 1.00 0.00 H new ATOM 0 HG22 THR A 100 4.873 8.088 5.285 1.00 0.00 H new ATOM 0 HG23 THR A 100 6.156 8.683 6.365 1.00 0.00 H new ATOM 1565 N VAL A 101 5.419 7.597 2.410 1.00 0.00 N ATOM 1566 CA VAL A 101 4.649 6.470 1.898 1.00 0.00 C ATOM 1567 C VAL A 101 5.564 5.329 1.467 1.00 0.00 C ATOM 1568 O VAL A 101 5.517 4.236 2.029 1.00 0.00 O ATOM 1569 CB VAL A 101 3.769 6.887 0.705 1.00 0.00 C ATOM 1570 CG1 VAL A 101 3.006 5.690 0.159 1.00 0.00 C ATOM 1571 CG2 VAL A 101 2.814 7.999 1.111 1.00 0.00 C ATOM 0 H VAL A 101 5.170 8.498 2.002 1.00 0.00 H new ATOM 0 HA VAL A 101 4.008 6.130 2.711 1.00 0.00 H new ATOM 0 HB VAL A 101 4.416 7.266 -0.086 1.00 0.00 H new ATOM 0 HG11 VAL A 101 2.390 6.005 -0.683 1.00 0.00 H new ATOM 0 HG12 VAL A 101 3.712 4.929 -0.172 1.00 0.00 H new ATOM 0 HG13 VAL A 101 2.368 5.278 0.941 1.00 0.00 H new ATOM 0 HG21 VAL A 101 2.200 8.281 0.256 1.00 0.00 H new ATOM 0 HG22 VAL A 101 2.172 7.650 1.920 1.00 0.00 H new ATOM 0 HG23 VAL A 101 3.385 8.864 1.449 1.00 0.00 H new ATOM 1581 N MET A 102 6.397 5.593 0.466 1.00 0.00 N ATOM 1582 CA MET A 102 7.326 4.589 -0.041 1.00 0.00 C ATOM 1583 C MET A 102 7.949 3.798 1.105 1.00 0.00 C ATOM 1584 O MET A 102 8.003 2.568 1.068 1.00 0.00 O ATOM 1585 CB MET A 102 8.424 5.253 -0.874 1.00 0.00 C ATOM 1586 CG MET A 102 7.936 5.776 -2.215 1.00 0.00 C ATOM 1587 SD MET A 102 9.290 6.220 -3.321 1.00 0.00 S ATOM 1588 CE MET A 102 9.507 4.687 -4.221 1.00 0.00 C ATOM 0 H MET A 102 6.448 6.493 -0.010 1.00 0.00 H new ATOM 0 HA MET A 102 6.767 3.900 -0.674 1.00 0.00 H new ATOM 0 HB2 MET A 102 8.852 6.079 -0.305 1.00 0.00 H new ATOM 0 HB3 MET A 102 9.225 4.534 -1.043 1.00 0.00 H new ATOM 0 HG2 MET A 102 7.316 5.018 -2.693 1.00 0.00 H new ATOM 0 HG3 MET A 102 7.304 6.649 -2.052 1.00 0.00 H new ATOM 0 HE1 MET A 102 10.539 4.351 -4.124 1.00 0.00 H new ATOM 0 HE2 MET A 102 8.839 3.928 -3.814 1.00 0.00 H new ATOM 0 HE3 MET A 102 9.275 4.847 -5.274 1.00 0.00 H new ATOM 1598 N THR A 103 8.418 4.511 2.124 1.00 0.00 N ATOM 1599 CA THR A 103 9.039 3.876 3.280 1.00 0.00 C ATOM 1600 C THR A 103 8.110 2.839 3.902 1.00 0.00 C ATOM 1601 O THR A 103 8.522 1.715 4.188 1.00 0.00 O ATOM 1602 CB THR A 103 9.423 4.913 4.352 1.00 0.00 C ATOM 1603 OG1 THR A 103 10.359 5.852 3.812 1.00 0.00 O ATOM 1604 CG2 THR A 103 10.026 4.233 5.572 1.00 0.00 C ATOM 0 H THR A 103 8.380 5.529 2.172 1.00 0.00 H new ATOM 0 HA THR A 103 9.943 3.383 2.922 1.00 0.00 H new ATOM 0 HB THR A 103 8.518 5.438 4.659 1.00 0.00 H new ATOM 0 HG1 THR A 103 9.877 6.547 3.318 1.00 0.00 H new ATOM 0 HG21 THR A 103 10.289 4.986 6.315 1.00 0.00 H new ATOM 0 HG22 THR A 103 9.300 3.540 5.998 1.00 0.00 H new ATOM 0 HG23 THR A 103 10.921 3.685 5.278 1.00 0.00 H new ATOM 1612 N TYR A 104 6.855 3.224 4.109 1.00 0.00 N ATOM 1613 CA TYR A 104 5.868 2.328 4.699 1.00 0.00 C ATOM 1614 C TYR A 104 5.625 1.118 3.801 1.00 0.00 C ATOM 1615 O TYR A 104 5.657 -0.025 4.258 1.00 0.00 O ATOM 1616 CB TYR A 104 4.553 3.071 4.939 1.00 0.00 C ATOM 1617 CG TYR A 104 3.456 2.194 5.498 1.00 0.00 C ATOM 1618 CD1 TYR A 104 3.694 1.351 6.577 1.00 0.00 C ATOM 1619 CD2 TYR A 104 2.180 2.209 4.948 1.00 0.00 C ATOM 1620 CE1 TYR A 104 2.694 0.547 7.090 1.00 0.00 C ATOM 1621 CE2 TYR A 104 1.174 1.410 5.456 1.00 0.00 C ATOM 1622 CZ TYR A 104 1.436 0.581 6.526 1.00 0.00 C ATOM 1623 OH TYR A 104 0.437 -0.217 7.035 1.00 0.00 O ATOM 0 H TYR A 104 6.498 4.151 3.877 1.00 0.00 H new ATOM 0 HA TYR A 104 6.259 1.977 5.654 1.00 0.00 H new ATOM 0 HB2 TYR A 104 4.732 3.897 5.627 1.00 0.00 H new ATOM 0 HB3 TYR A 104 4.215 3.507 3.999 1.00 0.00 H new ATOM 0 HD1 TYR A 104 4.678 1.324 7.022 1.00 0.00 H new ATOM 0 HD2 TYR A 104 1.971 2.856 4.109 1.00 0.00 H new ATOM 0 HE1 TYR A 104 2.896 -0.104 7.928 1.00 0.00 H new ATOM 0 HE2 TYR A 104 0.187 1.435 5.017 1.00 0.00 H new ATOM 0 HH TYR A 104 0.131 -0.840 6.343 1.00 0.00 H new ATOM 1633 N LEU A 105 5.384 1.379 2.521 1.00 0.00 N ATOM 1634 CA LEU A 105 5.136 0.313 1.557 1.00 0.00 C ATOM 1635 C LEU A 105 6.239 -0.738 1.612 1.00 0.00 C ATOM 1636 O LEU A 105 5.983 -1.908 1.899 1.00 0.00 O ATOM 1637 CB LEU A 105 5.035 0.890 0.144 1.00 0.00 C ATOM 1638 CG LEU A 105 3.637 1.311 -0.311 1.00 0.00 C ATOM 1639 CD1 LEU A 105 3.722 2.213 -1.533 1.00 0.00 C ATOM 1640 CD2 LEU A 105 2.782 0.088 -0.608 1.00 0.00 C ATOM 0 H LEU A 105 5.355 2.319 2.127 1.00 0.00 H new ATOM 0 HA LEU A 105 4.191 -0.165 1.816 1.00 0.00 H new ATOM 0 HB2 LEU A 105 5.693 1.757 0.079 1.00 0.00 H new ATOM 0 HB3 LEU A 105 5.416 0.148 -0.558 1.00 0.00 H new ATOM 0 HG LEU A 105 3.167 1.871 0.497 1.00 0.00 H new ATOM 0 HD11 LEU A 105 2.718 2.502 -1.842 1.00 0.00 H new ATOM 0 HD12 LEU A 105 4.297 3.106 -1.287 1.00 0.00 H new ATOM 0 HD13 LEU A 105 4.212 1.678 -2.347 1.00 0.00 H new ATOM 0 HD21 LEU A 105 1.791 0.407 -0.930 1.00 0.00 H new ATOM 0 HD22 LEU A 105 3.249 -0.499 -1.398 1.00 0.00 H new ATOM 0 HD23 LEU A 105 2.693 -0.521 0.292 1.00 0.00 H new ATOM 1652 N TYR A 106 7.467 -0.314 1.336 1.00 0.00 N ATOM 1653 CA TYR A 106 8.611 -1.219 1.354 1.00 0.00 C ATOM 1654 C TYR A 106 8.451 -2.277 2.441 1.00 0.00 C ATOM 1655 O TYR A 106 8.691 -3.461 2.209 1.00 0.00 O ATOM 1656 CB TYR A 106 9.905 -0.435 1.575 1.00 0.00 C ATOM 1657 CG TYR A 106 10.448 0.204 0.317 1.00 0.00 C ATOM 1658 CD1 TYR A 106 10.583 -0.528 -0.856 1.00 0.00 C ATOM 1659 CD2 TYR A 106 10.826 1.542 0.301 1.00 0.00 C ATOM 1660 CE1 TYR A 106 11.080 0.051 -2.007 1.00 0.00 C ATOM 1661 CE2 TYR A 106 11.323 2.130 -0.846 1.00 0.00 C ATOM 1662 CZ TYR A 106 11.448 1.381 -1.997 1.00 0.00 C ATOM 1663 OH TYR A 106 11.942 1.962 -3.143 1.00 0.00 O ATOM 0 H TYR A 106 7.696 0.651 1.097 1.00 0.00 H new ATOM 0 HA TYR A 106 8.660 -1.722 0.388 1.00 0.00 H new ATOM 0 HB2 TYR A 106 9.727 0.341 2.319 1.00 0.00 H new ATOM 0 HB3 TYR A 106 10.660 -1.105 1.987 1.00 0.00 H new ATOM 0 HD1 TYR A 106 10.294 -1.569 -0.868 1.00 0.00 H new ATOM 0 HD2 TYR A 106 10.729 2.132 1.201 1.00 0.00 H new ATOM 0 HE1 TYR A 106 11.180 -0.534 -2.910 1.00 0.00 H new ATOM 0 HE2 TYR A 106 11.612 3.171 -0.841 1.00 0.00 H new ATOM 0 HH TYR A 106 12.463 1.302 -3.646 1.00 0.00 H new ATOM 1673 N GLN A 107 8.045 -1.839 3.629 1.00 0.00 N ATOM 1674 CA GLN A 107 7.854 -2.747 4.753 1.00 0.00 C ATOM 1675 C GLN A 107 6.951 -3.913 4.364 1.00 0.00 C ATOM 1676 O GLN A 107 7.326 -5.076 4.508 1.00 0.00 O ATOM 1677 CB GLN A 107 7.255 -1.998 5.945 1.00 0.00 C ATOM 1678 CG GLN A 107 8.105 -0.830 6.419 1.00 0.00 C ATOM 1679 CD GLN A 107 9.309 -1.274 7.226 1.00 0.00 C ATOM 1680 OE1 GLN A 107 10.030 -2.192 6.833 1.00 0.00 O ATOM 1681 NE2 GLN A 107 9.533 -0.624 8.362 1.00 0.00 N ATOM 0 H GLN A 107 7.842 -0.861 3.837 1.00 0.00 H new ATOM 0 HA GLN A 107 8.829 -3.145 5.036 1.00 0.00 H new ATOM 0 HB2 GLN A 107 6.266 -1.630 5.672 1.00 0.00 H new ATOM 0 HB3 GLN A 107 7.119 -2.696 6.771 1.00 0.00 H new ATOM 0 HG2 GLN A 107 8.443 -0.257 5.555 1.00 0.00 H new ATOM 0 HG3 GLN A 107 7.493 -0.162 7.025 1.00 0.00 H new ATOM 0 HE21 GLN A 107 8.910 0.131 8.649 1.00 0.00 H new ATOM 0 HE22 GLN A 107 10.328 -0.879 8.947 1.00 0.00 H new ATOM 1690 N ILE A 108 5.759 -3.592 3.870 1.00 0.00 N ATOM 1691 CA ILE A 108 4.803 -4.613 3.459 1.00 0.00 C ATOM 1692 C ILE A 108 5.384 -5.500 2.363 1.00 0.00 C ATOM 1693 O ILE A 108 5.448 -6.721 2.508 1.00 0.00 O ATOM 1694 CB ILE A 108 3.491 -3.985 2.955 1.00 0.00 C ATOM 1695 CG1 ILE A 108 2.858 -3.123 4.050 1.00 0.00 C ATOM 1696 CG2 ILE A 108 2.525 -5.069 2.502 1.00 0.00 C ATOM 1697 CD1 ILE A 108 3.423 -1.721 4.117 1.00 0.00 C ATOM 0 H ILE A 108 5.433 -2.634 3.745 1.00 0.00 H new ATOM 0 HA ILE A 108 4.590 -5.220 4.339 1.00 0.00 H new ATOM 0 HB ILE A 108 3.716 -3.346 2.101 1.00 0.00 H new ATOM 0 HG12 ILE A 108 1.783 -3.065 3.880 1.00 0.00 H new ATOM 0 HG13 ILE A 108 3.002 -3.611 5.014 1.00 0.00 H new ATOM 0 HG21 ILE A 108 1.602 -4.609 2.148 1.00 0.00 H new ATOM 0 HG22 ILE A 108 2.977 -5.644 1.694 1.00 0.00 H new ATOM 0 HG23 ILE A 108 2.303 -5.731 3.339 1.00 0.00 H new ATOM 0 HD11 ILE A 108 2.928 -1.167 4.915 1.00 0.00 H new ATOM 0 HD12 ILE A 108 4.493 -1.769 4.318 1.00 0.00 H new ATOM 0 HD13 ILE A 108 3.255 -1.215 3.166 1.00 0.00 H new ATOM 1709 N ARG A 109 5.806 -4.878 1.267 1.00 0.00 N ATOM 1710 CA ARG A 109 6.382 -5.611 0.146 1.00 0.00 C ATOM 1711 C ARG A 109 7.540 -6.490 0.609 1.00 0.00 C ATOM 1712 O ARG A 109 7.756 -7.579 0.079 1.00 0.00 O ATOM 1713 CB ARG A 109 6.864 -4.639 -0.932 1.00 0.00 C ATOM 1714 CG ARG A 109 7.819 -5.266 -1.934 1.00 0.00 C ATOM 1715 CD ARG A 109 9.264 -5.149 -1.475 1.00 0.00 C ATOM 1716 NE ARG A 109 10.206 -5.446 -2.551 1.00 0.00 N ATOM 1717 CZ ARG A 109 10.380 -6.661 -3.061 1.00 0.00 C ATOM 1718 NH1 ARG A 109 9.680 -7.685 -2.595 1.00 0.00 N ATOM 1719 NH2 ARG A 109 11.257 -6.851 -4.038 1.00 0.00 N ATOM 0 H ARG A 109 5.760 -3.868 1.131 1.00 0.00 H new ATOM 0 HA ARG A 109 5.607 -6.253 -0.273 1.00 0.00 H new ATOM 0 HB2 ARG A 109 6.000 -4.243 -1.465 1.00 0.00 H new ATOM 0 HB3 ARG A 109 7.357 -3.793 -0.453 1.00 0.00 H new ATOM 0 HG2 ARG A 109 7.564 -6.317 -2.073 1.00 0.00 H new ATOM 0 HG3 ARG A 109 7.703 -4.779 -2.902 1.00 0.00 H new ATOM 0 HD2 ARG A 109 9.445 -4.141 -1.102 1.00 0.00 H new ATOM 0 HD3 ARG A 109 9.437 -5.832 -0.643 1.00 0.00 H new ATOM 0 HE ARG A 109 10.761 -4.679 -2.932 1.00 0.00 H new ATOM 0 HH11 ARG A 109 9.006 -7.542 -1.843 1.00 0.00 H new ATOM 0 HH12 ARG A 109 9.815 -8.616 -2.988 1.00 0.00 H new ATOM 0 HH21 ARG A 109 11.798 -6.065 -4.398 1.00 0.00 H new ATOM 0 HH22 ARG A 109 11.390 -7.783 -4.429 1.00 0.00 H new ATOM 1733 N ALA A 110 8.283 -6.008 1.600 1.00 0.00 N ATOM 1734 CA ALA A 110 9.417 -6.750 2.135 1.00 0.00 C ATOM 1735 C ALA A 110 8.953 -7.893 3.030 1.00 0.00 C ATOM 1736 O ALA A 110 9.507 -8.992 2.989 1.00 0.00 O ATOM 1737 CB ALA A 110 10.343 -5.818 2.904 1.00 0.00 C ATOM 0 H ALA A 110 8.119 -5.107 2.048 1.00 0.00 H new ATOM 0 HA ALA A 110 9.966 -7.179 1.297 1.00 0.00 H new ATOM 0 HB1 ALA A 110 11.186 -6.386 3.298 1.00 0.00 H new ATOM 0 HB2 ALA A 110 10.711 -5.039 2.237 1.00 0.00 H new ATOM 0 HB3 ALA A 110 9.796 -5.361 3.729 1.00 0.00 H new ATOM 1743 N HIS A 111 7.933 -7.628 3.840 1.00 0.00 N ATOM 1744 CA HIS A 111 7.394 -8.636 4.746 1.00 0.00 C ATOM 1745 C HIS A 111 6.910 -9.859 3.973 1.00 0.00 C ATOM 1746 O HIS A 111 7.332 -10.984 4.243 1.00 0.00 O ATOM 1747 CB HIS A 111 6.245 -8.051 5.568 1.00 0.00 C ATOM 1748 CG HIS A 111 5.856 -8.898 6.741 1.00 0.00 C ATOM 1749 ND1 HIS A 111 6.439 -8.773 7.985 1.00 0.00 N ATOM 1750 CD2 HIS A 111 4.936 -9.884 6.856 1.00 0.00 C ATOM 1751 CE1 HIS A 111 5.895 -9.647 8.813 1.00 0.00 C ATOM 1752 NE2 HIS A 111 4.980 -10.333 8.152 1.00 0.00 N ATOM 0 H HIS A 111 7.463 -6.724 3.888 1.00 0.00 H new ATOM 0 HA HIS A 111 8.192 -8.947 5.420 1.00 0.00 H new ATOM 0 HB2 HIS A 111 6.531 -7.061 5.924 1.00 0.00 H new ATOM 0 HB3 HIS A 111 5.377 -7.919 4.922 1.00 0.00 H new ATOM 0 HD2 HIS A 111 4.288 -10.249 6.073 1.00 0.00 H new ATOM 0 HE1 HIS A 111 6.154 -9.778 9.853 1.00 0.00 H new ATOM 0 HE2 HIS A 111 4.400 -11.076 8.542 1.00 0.00 H new ATOM 1761 N PHE A 112 6.023 -9.631 3.010 1.00 0.00 N ATOM 1762 CA PHE A 112 5.480 -10.715 2.198 1.00 0.00 C ATOM 1763 C PHE A 112 6.585 -11.403 1.402 1.00 0.00 C ATOM 1764 O PHE A 112 6.685 -12.630 1.392 1.00 0.00 O ATOM 1765 CB PHE A 112 4.408 -10.180 1.247 1.00 0.00 C ATOM 1766 CG PHE A 112 3.143 -9.766 1.942 1.00 0.00 C ATOM 1767 CD1 PHE A 112 2.438 -10.668 2.722 1.00 0.00 C ATOM 1768 CD2 PHE A 112 2.658 -8.474 1.815 1.00 0.00 C ATOM 1769 CE1 PHE A 112 1.273 -10.290 3.364 1.00 0.00 C ATOM 1770 CE2 PHE A 112 1.495 -8.090 2.455 1.00 0.00 C ATOM 1771 CZ PHE A 112 0.801 -8.999 3.229 1.00 0.00 C ATOM 0 H PHE A 112 5.665 -8.706 2.773 1.00 0.00 H new ATOM 0 HA PHE A 112 5.029 -11.447 2.868 1.00 0.00 H new ATOM 0 HB2 PHE A 112 4.810 -9.326 0.703 1.00 0.00 H new ATOM 0 HB3 PHE A 112 4.173 -10.947 0.509 1.00 0.00 H new ATOM 0 HD1 PHE A 112 2.803 -11.679 2.830 1.00 0.00 H new ATOM 0 HD2 PHE A 112 3.195 -7.759 1.209 1.00 0.00 H new ATOM 0 HE1 PHE A 112 0.733 -11.003 3.970 1.00 0.00 H new ATOM 0 HE2 PHE A 112 1.129 -7.079 2.350 1.00 0.00 H new ATOM 0 HZ PHE A 112 -0.109 -8.701 3.728 1.00 0.00 H new ATOM 1781 N SER A 113 7.412 -10.604 0.736 1.00 0.00 N ATOM 1782 CA SER A 113 8.507 -11.135 -0.067 1.00 0.00 C ATOM 1783 C SER A 113 9.779 -10.319 0.140 1.00 0.00 C ATOM 1784 O SER A 113 9.738 -9.090 0.201 1.00 0.00 O ATOM 1785 CB SER A 113 8.126 -11.140 -1.549 1.00 0.00 C ATOM 1786 OG SER A 113 8.913 -12.067 -2.275 1.00 0.00 O ATOM 0 H SER A 113 7.345 -9.586 0.737 1.00 0.00 H new ATOM 0 HA SER A 113 8.697 -12.159 0.255 1.00 0.00 H new ATOM 0 HB2 SER A 113 7.071 -11.392 -1.655 1.00 0.00 H new ATOM 0 HB3 SER A 113 8.259 -10.141 -1.965 1.00 0.00 H new ATOM 0 HG SER A 113 8.649 -12.052 -3.219 1.00 0.00 H new ATOM 1792 N SER A 114 10.908 -11.011 0.248 1.00 0.00 N ATOM 1793 CA SER A 114 12.193 -10.351 0.452 1.00 0.00 C ATOM 1794 C SER A 114 13.182 -10.737 -0.644 1.00 0.00 C ATOM 1795 O SER A 114 14.340 -11.048 -0.369 1.00 0.00 O ATOM 1796 CB SER A 114 12.765 -10.716 1.823 1.00 0.00 C ATOM 1797 OG SER A 114 13.776 -9.803 2.214 1.00 0.00 O ATOM 0 H SER A 114 10.960 -12.028 0.198 1.00 0.00 H new ATOM 0 HA SER A 114 12.032 -9.274 0.408 1.00 0.00 H new ATOM 0 HB2 SER A 114 11.966 -10.718 2.565 1.00 0.00 H new ATOM 0 HB3 SER A 114 13.175 -11.726 1.792 1.00 0.00 H new ATOM 0 HG SER A 114 14.474 -9.774 1.527 1.00 0.00 H new ATOM 1803 N GLY A 115 12.715 -10.713 -1.889 1.00 0.00 N ATOM 1804 CA GLY A 115 13.570 -11.062 -3.008 1.00 0.00 C ATOM 1805 C GLY A 115 13.550 -12.547 -3.312 1.00 0.00 C ATOM 1806 O GLY A 115 12.580 -13.248 -3.024 1.00 0.00 O ATOM 0 H GLY A 115 11.760 -10.458 -2.142 1.00 0.00 H new ATOM 0 HA2 GLY A 115 13.251 -10.509 -3.891 1.00 0.00 H new ATOM 0 HA3 GLY A 115 14.592 -10.753 -2.791 1.00 0.00 H new ATOM 1810 N PRO A 116 14.642 -13.047 -3.910 1.00 0.00 N ATOM 1811 CA PRO A 116 14.770 -14.463 -4.267 1.00 0.00 C ATOM 1812 C PRO A 116 14.910 -15.360 -3.042 1.00 0.00 C ATOM 1813 O PRO A 116 15.572 -14.999 -2.069 1.00 0.00 O ATOM 1814 CB PRO A 116 16.048 -14.503 -5.108 1.00 0.00 C ATOM 1815 CG PRO A 116 16.840 -13.327 -4.649 1.00 0.00 C ATOM 1816 CD PRO A 116 15.835 -12.269 -4.282 1.00 0.00 C ATOM 0 HA PRO A 116 13.888 -14.832 -4.790 1.00 0.00 H new ATOM 0 HB2 PRO A 116 16.595 -15.433 -4.954 1.00 0.00 H new ATOM 0 HB3 PRO A 116 15.824 -14.438 -6.173 1.00 0.00 H new ATOM 0 HG2 PRO A 116 17.464 -13.586 -3.794 1.00 0.00 H new ATOM 0 HG3 PRO A 116 17.508 -12.975 -5.435 1.00 0.00 H new ATOM 0 HD2 PRO A 116 16.186 -11.651 -3.455 1.00 0.00 H new ATOM 0 HD3 PRO A 116 15.633 -11.599 -5.118 1.00 0.00 H new ATOM 1824 N SER A 117 14.282 -16.531 -3.096 1.00 0.00 N ATOM 1825 CA SER A 117 14.334 -17.478 -1.989 1.00 0.00 C ATOM 1826 C SER A 117 15.742 -18.042 -1.822 1.00 0.00 C ATOM 1827 O SER A 117 16.206 -18.836 -2.641 1.00 0.00 O ATOM 1828 CB SER A 117 13.340 -18.618 -2.218 1.00 0.00 C ATOM 1829 OG SER A 117 13.429 -19.587 -1.188 1.00 0.00 O ATOM 0 H SER A 117 13.731 -16.846 -3.895 1.00 0.00 H new ATOM 0 HA SER A 117 14.063 -16.947 -1.076 1.00 0.00 H new ATOM 0 HB2 SER A 117 12.327 -18.218 -2.259 1.00 0.00 H new ATOM 0 HB3 SER A 117 13.537 -19.088 -3.182 1.00 0.00 H new ATOM 0 HG SER A 117 12.783 -20.304 -1.357 1.00 0.00 H new ATOM 1835 N SER A 118 16.417 -17.625 -0.756 1.00 0.00 N ATOM 1836 CA SER A 118 17.774 -18.084 -0.482 1.00 0.00 C ATOM 1837 C SER A 118 17.805 -18.983 0.750 1.00 0.00 C ATOM 1838 O SER A 118 17.120 -18.725 1.738 1.00 0.00 O ATOM 1839 CB SER A 118 18.708 -16.890 -0.280 1.00 0.00 C ATOM 1840 OG SER A 118 19.030 -16.278 -1.517 1.00 0.00 O ATOM 0 H SER A 118 16.046 -16.970 -0.068 1.00 0.00 H new ATOM 0 HA SER A 118 18.116 -18.662 -1.341 1.00 0.00 H new ATOM 0 HB2 SER A 118 18.234 -16.161 0.377 1.00 0.00 H new ATOM 0 HB3 SER A 118 19.622 -17.219 0.215 1.00 0.00 H new ATOM 0 HG SER A 118 19.627 -15.517 -1.360 1.00 0.00 H new ATOM 1846 N GLY A 119 18.606 -20.043 0.682 1.00 0.00 N ATOM 1847 CA GLY A 119 18.712 -20.965 1.797 1.00 0.00 C ATOM 1848 C GLY A 119 19.950 -20.719 2.637 1.00 0.00 C ATOM 1849 O GLY A 119 20.230 -21.466 3.574 1.00 0.00 O ATOM 0 H GLY A 119 19.183 -20.279 -0.125 1.00 0.00 H new ATOM 0 HA2 GLY A 119 17.826 -20.874 2.426 1.00 0.00 H new ATOM 0 HA3 GLY A 119 18.730 -21.987 1.419 1.00 0.00 H new TER 1853 GLY A 119