USER MOD reduce.3.24.130724 H: found=0, std=0, add=735, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 733 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 18 GLN : amide:sc= -3.8! C(o=-3.8!,f=-4.1!) USER MOD Set 1.2: A 20 THR OG1 : rot 180:sc=-0.00201 USER MOD Single : A 1 GLY N :NH3+ 143:sc= 0.00971 (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 13 ASN : amide:sc= -1.61 K(o=-1.6,f=-2.8) USER MOD Single : A 16 LYS NZ :NH3+ 176:sc= -0.0538 (180deg=-0.0565) USER MOD Single : A 25 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0549) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 CYS SG : rot 31:sc= 0.505 USER MOD Single : A 34 CYS SG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 33:sc= 0.19 USER MOD Single : A 41 GLN : amide:sc= -0.11 K(o=-0.11,f=-2.1!) USER MOD Single : A 45 SER OG : rot 9:sc= 0.942 USER MOD Single : A 55 GLN :FLIP amide:sc= -0.207 F(o=-1.2,f=-0.21) USER MOD Single : A 56 GLN : amide:sc= -0.0695 X(o=-0.069,f=0) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0.114 USER MOD Single : A 62 GLN : amide:sc= -0.751 K(o=-0.75,f=-4.2!) USER MOD Single : A 64 ASN :FLIP amide:sc= 0 F(o=-0.61,f=0) USER MOD Single : A 70 HIS : no HD1:sc= -0.133 X(o=-0.13,f=-0.0098) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 CYS SG : rot 180:sc= 0.354 USER MOD Single : A 78 HIS : no HD1:sc= -0.396 X(o=-0.4,f=-0.059) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 CYS SG : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -6.510 -5.295 32.833 1.00 0.00 N ATOM 2 CA GLY A 1 -5.871 -4.552 33.903 1.00 0.00 C ATOM 3 C GLY A 1 -4.869 -3.538 33.387 1.00 0.00 C ATOM 4 O GLY A 1 -4.144 -3.805 32.429 1.00 0.00 O ATOM 0 H1 GLY A 1 -6.654 -6.280 33.133 1.00 0.00 H new ATOM 0 H2 GLY A 1 -7.430 -4.863 32.611 1.00 0.00 H new ATOM 0 H3 GLY A 1 -5.905 -5.275 31.987 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -6.633 -4.039 34.490 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -5.367 -5.248 34.573 1.00 0.00 H new ATOM 8 N SER A 2 -4.829 -2.372 34.022 1.00 0.00 N ATOM 9 CA SER A 2 -3.912 -1.312 33.618 1.00 0.00 C ATOM 10 C SER A 2 -2.623 -1.369 34.431 1.00 0.00 C ATOM 11 O SER A 2 -2.634 -1.176 35.647 1.00 0.00 O ATOM 12 CB SER A 2 -4.575 0.057 33.787 1.00 0.00 C ATOM 13 OG SER A 2 -3.711 1.097 33.363 1.00 0.00 O ATOM 0 H SER A 2 -5.421 -2.137 34.819 1.00 0.00 H new ATOM 0 HA SER A 2 -3.665 -1.461 32.567 1.00 0.00 H new ATOM 0 HB2 SER A 2 -5.500 0.090 33.211 1.00 0.00 H new ATOM 0 HB3 SER A 2 -4.845 0.207 34.832 1.00 0.00 H new ATOM 0 HG SER A 2 -4.158 1.961 33.479 1.00 0.00 H new ATOM 19 N SER A 3 -1.513 -1.636 33.751 1.00 0.00 N ATOM 20 CA SER A 3 -0.215 -1.723 34.410 1.00 0.00 C ATOM 21 C SER A 3 0.915 -1.748 33.384 1.00 0.00 C ATOM 22 O SER A 3 0.683 -1.953 32.194 1.00 0.00 O ATOM 23 CB SER A 3 -0.148 -2.974 35.289 1.00 0.00 C ATOM 24 OG SER A 3 -0.138 -4.151 34.500 1.00 0.00 O ATOM 0 H SER A 3 -1.486 -1.796 32.744 1.00 0.00 H new ATOM 0 HA SER A 3 -0.094 -0.840 35.037 1.00 0.00 H new ATOM 0 HB2 SER A 3 0.748 -2.940 35.908 1.00 0.00 H new ATOM 0 HB3 SER A 3 -1.002 -2.993 35.966 1.00 0.00 H new ATOM 0 HG SER A 3 -0.093 -4.936 35.085 1.00 0.00 H new ATOM 30 N GLY A 4 2.140 -1.536 33.857 1.00 0.00 N ATOM 31 CA GLY A 4 3.288 -1.538 32.969 1.00 0.00 C ATOM 32 C GLY A 4 4.146 -2.776 33.133 1.00 0.00 C ATOM 33 O GLY A 4 4.365 -3.244 34.250 1.00 0.00 O ATOM 0 H GLY A 4 2.357 -1.363 34.838 1.00 0.00 H new ATOM 0 HA2 GLY A 4 2.945 -1.472 31.937 1.00 0.00 H new ATOM 0 HA3 GLY A 4 3.893 -0.652 33.161 1.00 0.00 H new ATOM 37 N SER A 5 4.631 -3.310 32.016 1.00 0.00 N ATOM 38 CA SER A 5 5.466 -4.505 32.040 1.00 0.00 C ATOM 39 C SER A 5 6.571 -4.418 30.992 1.00 0.00 C ATOM 40 O SER A 5 6.396 -3.804 29.940 1.00 0.00 O ATOM 41 CB SER A 5 4.614 -5.752 31.797 1.00 0.00 C ATOM 42 OG SER A 5 3.733 -5.988 32.882 1.00 0.00 O ATOM 0 H SER A 5 4.460 -2.934 31.084 1.00 0.00 H new ATOM 0 HA SER A 5 5.929 -4.575 33.024 1.00 0.00 H new ATOM 0 HB2 SER A 5 4.040 -5.631 30.878 1.00 0.00 H new ATOM 0 HB3 SER A 5 5.262 -6.617 31.656 1.00 0.00 H new ATOM 0 HG SER A 5 3.199 -6.789 32.701 1.00 0.00 H new ATOM 48 N SER A 6 7.709 -5.036 31.288 1.00 0.00 N ATOM 49 CA SER A 6 8.845 -5.026 30.374 1.00 0.00 C ATOM 50 C SER A 6 8.992 -6.374 29.675 1.00 0.00 C ATOM 51 O SER A 6 9.064 -7.418 30.323 1.00 0.00 O ATOM 52 CB SER A 6 10.132 -4.688 31.129 1.00 0.00 C ATOM 53 OG SER A 6 10.139 -3.332 31.543 1.00 0.00 O ATOM 0 H SER A 6 7.869 -5.550 32.154 1.00 0.00 H new ATOM 0 HA SER A 6 8.664 -4.262 29.618 1.00 0.00 H new ATOM 0 HB2 SER A 6 10.228 -5.338 31.999 1.00 0.00 H new ATOM 0 HB3 SER A 6 10.994 -4.881 30.490 1.00 0.00 H new ATOM 0 HG SER A 6 10.971 -3.141 32.025 1.00 0.00 H new ATOM 59 N GLY A 7 9.037 -6.343 28.346 1.00 0.00 N ATOM 60 CA GLY A 7 9.175 -7.568 27.580 1.00 0.00 C ATOM 61 C GLY A 7 9.524 -7.307 26.128 1.00 0.00 C ATOM 62 O GLY A 7 8.967 -7.933 25.227 1.00 0.00 O ATOM 0 H GLY A 7 8.980 -5.492 27.787 1.00 0.00 H new ATOM 0 HA2 GLY A 7 9.949 -8.189 28.031 1.00 0.00 H new ATOM 0 HA3 GLY A 7 8.244 -8.132 27.631 1.00 0.00 H new ATOM 66 N GLU A 8 10.448 -6.378 25.901 1.00 0.00 N ATOM 67 CA GLU A 8 10.869 -6.035 24.548 1.00 0.00 C ATOM 68 C GLU A 8 12.178 -6.732 24.191 1.00 0.00 C ATOM 69 O GLU A 8 12.867 -7.264 25.060 1.00 0.00 O ATOM 70 CB GLU A 8 11.031 -4.519 24.409 1.00 0.00 C ATOM 71 CG GLU A 8 12.207 -3.960 25.191 1.00 0.00 C ATOM 72 CD GLU A 8 11.838 -3.588 26.614 1.00 0.00 C ATOM 73 OE1 GLU A 8 10.880 -2.807 26.793 1.00 0.00 O ATOM 74 OE2 GLU A 8 12.507 -4.077 27.548 1.00 0.00 O ATOM 0 H GLU A 8 10.919 -5.850 26.636 1.00 0.00 H new ATOM 0 HA GLU A 8 10.097 -6.376 23.858 1.00 0.00 H new ATOM 0 HB2 GLU A 8 11.155 -4.270 23.355 1.00 0.00 H new ATOM 0 HB3 GLU A 8 10.116 -4.032 24.746 1.00 0.00 H new ATOM 0 HG2 GLU A 8 13.010 -4.697 25.209 1.00 0.00 H new ATOM 0 HG3 GLU A 8 12.594 -3.080 24.678 1.00 0.00 H new ATOM 81 N GLY A 9 12.514 -6.726 22.905 1.00 0.00 N ATOM 82 CA GLY A 9 13.739 -7.361 22.455 1.00 0.00 C ATOM 83 C GLY A 9 14.152 -6.908 21.068 1.00 0.00 C ATOM 84 O GLY A 9 15.120 -6.164 20.914 1.00 0.00 O ATOM 0 H GLY A 9 11.960 -6.293 22.166 1.00 0.00 H new ATOM 0 HA2 GLY A 9 14.540 -7.138 23.160 1.00 0.00 H new ATOM 0 HA3 GLY A 9 13.605 -8.443 22.456 1.00 0.00 H new ATOM 88 N ASP A 10 13.417 -7.359 20.057 1.00 0.00 N ATOM 89 CA ASP A 10 13.712 -6.996 18.676 1.00 0.00 C ATOM 90 C ASP A 10 13.259 -5.570 18.380 1.00 0.00 C ATOM 91 O ASP A 10 12.155 -5.157 18.736 1.00 0.00 O ATOM 92 CB ASP A 10 13.032 -7.970 17.714 1.00 0.00 C ATOM 93 CG ASP A 10 11.524 -7.813 17.700 1.00 0.00 C ATOM 94 OD1 ASP A 10 10.864 -8.343 18.617 1.00 0.00 O ATOM 95 OD2 ASP A 10 11.004 -7.159 16.771 1.00 0.00 O ATOM 0 H ASP A 10 12.613 -7.976 20.168 1.00 0.00 H new ATOM 0 HA ASP A 10 14.791 -7.052 18.535 1.00 0.00 H new ATOM 0 HB2 ASP A 10 13.420 -7.812 16.708 1.00 0.00 H new ATOM 0 HB3 ASP A 10 13.285 -8.992 17.997 1.00 0.00 H new ATOM 100 N PRO A 11 14.130 -4.797 17.715 1.00 0.00 N ATOM 101 CA PRO A 11 13.841 -3.405 17.357 1.00 0.00 C ATOM 102 C PRO A 11 12.769 -3.294 16.278 1.00 0.00 C ATOM 103 O PRO A 11 12.356 -4.297 15.696 1.00 0.00 O ATOM 104 CB PRO A 11 15.183 -2.888 16.832 1.00 0.00 C ATOM 105 CG PRO A 11 15.896 -4.105 16.352 1.00 0.00 C ATOM 106 CD PRO A 11 15.464 -5.223 17.260 1.00 0.00 C ATOM 0 HA PRO A 11 13.452 -2.839 18.203 1.00 0.00 H new ATOM 0 HB2 PRO A 11 15.042 -2.168 16.026 1.00 0.00 H new ATOM 0 HB3 PRO A 11 15.747 -2.382 17.616 1.00 0.00 H new ATOM 0 HG2 PRO A 11 15.641 -4.324 15.315 1.00 0.00 H new ATOM 0 HG3 PRO A 11 16.976 -3.965 16.391 1.00 0.00 H new ATOM 0 HD2 PRO A 11 15.423 -6.176 16.733 1.00 0.00 H new ATOM 0 HD3 PRO A 11 16.152 -5.350 18.096 1.00 0.00 H new ATOM 114 N GLU A 12 12.323 -2.069 16.017 1.00 0.00 N ATOM 115 CA GLU A 12 11.298 -1.829 15.008 1.00 0.00 C ATOM 116 C GLU A 12 11.929 -1.460 13.669 1.00 0.00 C ATOM 117 O GLU A 12 12.513 -0.388 13.520 1.00 0.00 O ATOM 118 CB GLU A 12 10.354 -0.715 15.464 1.00 0.00 C ATOM 119 CG GLU A 12 11.034 0.635 15.618 1.00 0.00 C ATOM 120 CD GLU A 12 10.347 1.522 16.637 1.00 0.00 C ATOM 121 OE1 GLU A 12 9.663 0.979 17.530 1.00 0.00 O ATOM 122 OE2 GLU A 12 10.492 2.759 16.542 1.00 0.00 O ATOM 0 H GLU A 12 12.655 -1.228 16.490 1.00 0.00 H new ATOM 0 HA GLU A 12 10.728 -2.749 14.880 1.00 0.00 H new ATOM 0 HB2 GLU A 12 9.541 -0.622 14.744 1.00 0.00 H new ATOM 0 HB3 GLU A 12 9.906 -0.997 16.417 1.00 0.00 H new ATOM 0 HG2 GLU A 12 12.072 0.483 15.915 1.00 0.00 H new ATOM 0 HG3 GLU A 12 11.050 1.142 14.653 1.00 0.00 H new ATOM 129 N ASN A 13 11.807 -2.358 12.697 1.00 0.00 N ATOM 130 CA ASN A 13 12.366 -2.129 11.369 1.00 0.00 C ATOM 131 C ASN A 13 11.342 -1.462 10.456 1.00 0.00 C ATOM 132 O ASN A 13 11.625 -0.441 9.830 1.00 0.00 O ATOM 133 CB ASN A 13 12.832 -3.450 10.754 1.00 0.00 C ATOM 134 CG ASN A 13 11.736 -4.498 10.736 1.00 0.00 C ATOM 135 OD1 ASN A 13 10.949 -4.573 9.792 1.00 0.00 O ATOM 136 ND2 ASN A 13 11.679 -5.313 11.783 1.00 0.00 N ATOM 0 H ASN A 13 11.326 -3.251 12.804 1.00 0.00 H new ATOM 0 HA ASN A 13 13.223 -1.463 11.472 1.00 0.00 H new ATOM 0 HB2 ASN A 13 13.177 -3.272 9.736 1.00 0.00 H new ATOM 0 HB3 ASN A 13 13.684 -3.829 11.318 1.00 0.00 H new ATOM 0 HD21 ASN A 13 10.962 -6.037 11.827 1.00 0.00 H new ATOM 0 HD22 ASN A 13 12.352 -5.215 12.543 1.00 0.00 H new ATOM 143 N GLY A 14 10.150 -2.047 10.385 1.00 0.00 N ATOM 144 CA GLY A 14 9.102 -1.496 9.546 1.00 0.00 C ATOM 145 C GLY A 14 7.880 -1.083 10.342 1.00 0.00 C ATOM 146 O GLY A 14 7.647 -1.588 11.440 1.00 0.00 O ATOM 0 H GLY A 14 9.892 -2.893 10.894 1.00 0.00 H new ATOM 0 HA2 GLY A 14 9.489 -0.632 9.006 1.00 0.00 H new ATOM 0 HA3 GLY A 14 8.813 -2.235 8.799 1.00 0.00 H new ATOM 150 N GLU A 15 7.098 -0.161 9.788 1.00 0.00 N ATOM 151 CA GLU A 15 5.895 0.320 10.456 1.00 0.00 C ATOM 152 C GLU A 15 4.736 0.440 9.470 1.00 0.00 C ATOM 153 O GLU A 15 4.941 0.679 8.280 1.00 0.00 O ATOM 154 CB GLU A 15 6.159 1.676 11.116 1.00 0.00 C ATOM 155 CG GLU A 15 4.901 2.362 11.621 1.00 0.00 C ATOM 156 CD GLU A 15 4.425 1.802 12.948 1.00 0.00 C ATOM 157 OE1 GLU A 15 3.688 0.794 12.937 1.00 0.00 O ATOM 158 OE2 GLU A 15 4.789 2.373 13.997 1.00 0.00 O ATOM 0 H GLU A 15 7.276 0.267 8.879 1.00 0.00 H new ATOM 0 HA GLU A 15 5.623 -0.404 11.224 1.00 0.00 H new ATOM 0 HB2 GLU A 15 6.847 1.537 11.950 1.00 0.00 H new ATOM 0 HB3 GLU A 15 6.656 2.329 10.399 1.00 0.00 H new ATOM 0 HG2 GLU A 15 5.092 3.430 11.729 1.00 0.00 H new ATOM 0 HG3 GLU A 15 4.109 2.253 10.880 1.00 0.00 H new ATOM 165 N LYS A 16 3.519 0.270 9.974 1.00 0.00 N ATOM 166 CA LYS A 16 2.326 0.359 9.140 1.00 0.00 C ATOM 167 C LYS A 16 2.029 1.808 8.767 1.00 0.00 C ATOM 168 O LYS A 16 1.772 2.643 9.636 1.00 0.00 O ATOM 169 CB LYS A 16 1.124 -0.249 9.867 1.00 0.00 C ATOM 170 CG LYS A 16 1.232 -1.750 10.072 1.00 0.00 C ATOM 171 CD LYS A 16 0.138 -2.267 10.991 1.00 0.00 C ATOM 172 CE LYS A 16 0.505 -3.616 11.591 1.00 0.00 C ATOM 173 NZ LYS A 16 0.585 -4.681 10.553 1.00 0.00 N ATOM 0 H LYS A 16 3.332 0.070 10.957 1.00 0.00 H new ATOM 0 HA LYS A 16 2.511 -0.202 8.224 1.00 0.00 H new ATOM 0 HB2 LYS A 16 1.014 0.235 10.838 1.00 0.00 H new ATOM 0 HB3 LYS A 16 0.219 -0.033 9.299 1.00 0.00 H new ATOM 0 HG2 LYS A 16 1.168 -2.255 9.108 1.00 0.00 H new ATOM 0 HG3 LYS A 16 2.207 -1.991 10.494 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -0.037 -1.547 11.791 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -0.794 -2.357 10.434 1.00 0.00 H new ATOM 0 HE2 LYS A 16 1.463 -3.537 12.105 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -0.236 -3.894 12.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 0.903 -5.569 10.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -0.353 -4.822 10.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 1.261 -4.397 9.816 1.00 0.00 H new ATOM 187 N LEU A 17 2.064 2.100 7.472 1.00 0.00 N ATOM 188 CA LEU A 17 1.797 3.448 6.984 1.00 0.00 C ATOM 189 C LEU A 17 0.740 3.430 5.885 1.00 0.00 C ATOM 190 O LEU A 17 0.892 2.741 4.877 1.00 0.00 O ATOM 191 CB LEU A 17 3.084 4.086 6.459 1.00 0.00 C ATOM 192 CG LEU A 17 4.211 4.261 7.479 1.00 0.00 C ATOM 193 CD1 LEU A 17 5.519 4.590 6.777 1.00 0.00 C ATOM 194 CD2 LEU A 17 3.856 5.346 8.485 1.00 0.00 C ATOM 0 H LEU A 17 2.275 1.421 6.741 1.00 0.00 H new ATOM 0 HA LEU A 17 1.419 4.041 7.817 1.00 0.00 H new ATOM 0 HB2 LEU A 17 3.458 3.478 5.635 1.00 0.00 H new ATOM 0 HB3 LEU A 17 2.839 5.065 6.047 1.00 0.00 H new ATOM 0 HG LEU A 17 4.337 3.322 8.017 1.00 0.00 H new ATOM 0 HD11 LEU A 17 6.309 4.711 7.518 1.00 0.00 H new ATOM 0 HD12 LEU A 17 5.781 3.780 6.097 1.00 0.00 H new ATOM 0 HD13 LEU A 17 5.406 5.516 6.212 1.00 0.00 H new ATOM 0 HD21 LEU A 17 4.669 5.457 9.203 1.00 0.00 H new ATOM 0 HD22 LEU A 17 3.702 6.290 7.963 1.00 0.00 H new ATOM 0 HD23 LEU A 17 2.942 5.069 9.011 1.00 0.00 H new ATOM 206 N GLN A 18 -0.329 4.194 6.086 1.00 0.00 N ATOM 207 CA GLN A 18 -1.410 4.266 5.110 1.00 0.00 C ATOM 208 C GLN A 18 -1.106 5.306 4.037 1.00 0.00 C ATOM 209 O GLN A 18 -0.518 6.350 4.319 1.00 0.00 O ATOM 210 CB GLN A 18 -2.731 4.604 5.805 1.00 0.00 C ATOM 211 CG GLN A 18 -3.943 4.494 4.894 1.00 0.00 C ATOM 212 CD GLN A 18 -5.054 5.449 5.284 1.00 0.00 C ATOM 213 OE1 GLN A 18 -5.160 6.551 4.745 1.00 0.00 O ATOM 214 NE2 GLN A 18 -5.891 5.029 6.226 1.00 0.00 N ATOM 0 H GLN A 18 -0.470 4.771 6.915 1.00 0.00 H new ATOM 0 HA GLN A 18 -1.499 3.291 4.631 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -2.865 3.937 6.656 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -2.675 5.618 6.200 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -3.640 4.695 3.866 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -4.321 3.472 4.921 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -5.766 4.108 6.646 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -6.659 5.628 6.530 1.00 0.00 H new ATOM 223 N ILE A 19 -1.510 5.013 2.805 1.00 0.00 N ATOM 224 CA ILE A 19 -1.281 5.923 1.690 1.00 0.00 C ATOM 225 C ILE A 19 -2.563 6.156 0.898 1.00 0.00 C ATOM 226 O ILE A 19 -3.066 5.253 0.228 1.00 0.00 O ATOM 227 CB ILE A 19 -0.194 5.387 0.740 1.00 0.00 C ATOM 228 CG1 ILE A 19 1.108 5.144 1.505 1.00 0.00 C ATOM 229 CG2 ILE A 19 0.033 6.360 -0.408 1.00 0.00 C ATOM 230 CD1 ILE A 19 1.693 6.398 2.115 1.00 0.00 C ATOM 0 H ILE A 19 -1.997 4.153 2.554 1.00 0.00 H new ATOM 0 HA ILE A 19 -0.945 6.867 2.118 1.00 0.00 H new ATOM 0 HB ILE A 19 -0.531 4.438 0.324 1.00 0.00 H new ATOM 0 HG12 ILE A 19 0.925 4.416 2.296 1.00 0.00 H new ATOM 0 HG13 ILE A 19 1.840 4.703 0.829 1.00 0.00 H new ATOM 0 HG21 ILE A 19 0.804 5.967 -1.071 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -0.895 6.487 -0.966 1.00 0.00 H new ATOM 0 HG23 ILE A 19 0.352 7.323 -0.011 1.00 0.00 H new ATOM 0 HD11 ILE A 19 2.615 6.151 2.642 1.00 0.00 H new ATOM 0 HD12 ILE A 19 1.908 7.120 1.327 1.00 0.00 H new ATOM 0 HD13 ILE A 19 0.979 6.829 2.817 1.00 0.00 H new ATOM 242 N THR A 20 -3.089 7.375 0.979 1.00 0.00 N ATOM 243 CA THR A 20 -4.313 7.727 0.269 1.00 0.00 C ATOM 244 C THR A 20 -4.002 8.417 -1.054 1.00 0.00 C ATOM 245 O THR A 20 -3.508 9.545 -1.075 1.00 0.00 O ATOM 246 CB THR A 20 -5.208 8.650 1.118 1.00 0.00 C ATOM 247 OG1 THR A 20 -5.372 8.101 2.431 1.00 0.00 O ATOM 248 CG2 THR A 20 -6.570 8.832 0.465 1.00 0.00 C ATOM 0 H THR A 20 -2.687 8.134 1.529 1.00 0.00 H new ATOM 0 HA THR A 20 -4.845 6.796 0.074 1.00 0.00 H new ATOM 0 HB THR A 20 -4.724 9.624 1.190 1.00 0.00 H new ATOM 0 HG1 THR A 20 -5.941 8.694 2.965 1.00 0.00 H new ATOM 0 HG21 THR A 20 -7.185 9.487 1.082 1.00 0.00 H new ATOM 0 HG22 THR A 20 -6.444 9.277 -0.522 1.00 0.00 H new ATOM 0 HG23 THR A 20 -7.059 7.863 0.367 1.00 0.00 H new ATOM 256 N ILE A 21 -4.294 7.734 -2.155 1.00 0.00 N ATOM 257 CA ILE A 21 -4.047 8.283 -3.483 1.00 0.00 C ATOM 258 C ILE A 21 -5.210 9.156 -3.942 1.00 0.00 C ATOM 259 O ILE A 21 -6.374 8.828 -3.712 1.00 0.00 O ATOM 260 CB ILE A 21 -3.816 7.167 -4.519 1.00 0.00 C ATOM 261 CG1 ILE A 21 -2.650 6.275 -4.090 1.00 0.00 C ATOM 262 CG2 ILE A 21 -3.554 7.767 -5.893 1.00 0.00 C ATOM 263 CD1 ILE A 21 -2.600 4.952 -4.821 1.00 0.00 C ATOM 0 H ILE A 21 -4.702 6.799 -2.154 1.00 0.00 H new ATOM 0 HA ILE A 21 -3.146 8.892 -3.411 1.00 0.00 H new ATOM 0 HB ILE A 21 -4.715 6.553 -4.577 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -1.714 6.809 -4.257 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -2.722 6.086 -3.019 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -3.393 6.966 -6.615 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -4.413 8.364 -6.199 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -2.668 8.401 -5.850 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -1.748 4.372 -4.466 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -3.520 4.398 -4.634 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -2.496 5.131 -5.891 1.00 0.00 H new ATOM 275 N ARG A 22 -4.886 10.268 -4.594 1.00 0.00 N ATOM 276 CA ARG A 22 -5.904 11.188 -5.086 1.00 0.00 C ATOM 277 C ARG A 22 -5.920 11.216 -6.612 1.00 0.00 C ATOM 278 O ARG A 22 -4.915 11.539 -7.247 1.00 0.00 O ATOM 279 CB ARG A 22 -5.655 12.596 -4.542 1.00 0.00 C ATOM 280 CG ARG A 22 -6.919 13.429 -4.408 1.00 0.00 C ATOM 281 CD ARG A 22 -6.603 14.915 -4.339 1.00 0.00 C ATOM 282 NE ARG A 22 -6.273 15.465 -5.651 1.00 0.00 N ATOM 283 CZ ARG A 22 -6.407 16.749 -5.965 1.00 0.00 C ATOM 284 NH1 ARG A 22 -6.862 17.610 -5.065 1.00 0.00 N ATOM 285 NH2 ARG A 22 -6.086 17.174 -7.180 1.00 0.00 N ATOM 0 H ARG A 22 -3.927 10.553 -4.794 1.00 0.00 H new ATOM 0 HA ARG A 22 -6.875 10.837 -4.736 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -5.175 12.520 -3.566 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -4.957 13.113 -5.201 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -7.576 13.235 -5.256 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -7.460 13.129 -3.511 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -7.459 15.449 -3.927 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -5.768 15.077 -3.657 1.00 0.00 H new ATOM 0 HE ARG A 22 -5.920 14.828 -6.366 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -7.110 17.287 -4.130 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -6.964 18.595 -5.308 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -5.736 16.515 -7.875 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -6.190 18.160 -7.419 1.00 0.00 H new ATOM 299 N ARG A 23 -7.065 10.875 -7.193 1.00 0.00 N ATOM 300 CA ARG A 23 -7.210 10.859 -8.644 1.00 0.00 C ATOM 301 C ARG A 23 -6.455 12.023 -9.279 1.00 0.00 C ATOM 302 O ARG A 23 -6.856 13.179 -9.152 1.00 0.00 O ATOM 303 CB ARG A 23 -8.689 10.925 -9.030 1.00 0.00 C ATOM 304 CG ARG A 23 -8.995 10.294 -10.379 1.00 0.00 C ATOM 305 CD ARG A 23 -10.493 10.193 -10.620 1.00 0.00 C ATOM 306 NE ARG A 23 -10.810 10.029 -12.036 1.00 0.00 N ATOM 307 CZ ARG A 23 -10.954 11.045 -12.879 1.00 0.00 C ATOM 308 NH1 ARG A 23 -10.810 12.292 -12.452 1.00 0.00 N ATOM 309 NH2 ARG A 23 -11.242 10.815 -14.154 1.00 0.00 N ATOM 0 H ARG A 23 -7.906 10.606 -6.682 1.00 0.00 H new ATOM 0 HA ARG A 23 -6.785 9.927 -9.017 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -9.279 10.425 -8.262 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -9.005 11.968 -9.046 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -8.537 10.886 -11.171 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -8.550 9.300 -10.426 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -10.894 9.349 -10.059 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -10.982 11.090 -10.241 1.00 0.00 H new ATOM 0 HE ARG A 23 -10.927 9.082 -12.397 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -10.588 12.473 -11.473 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -10.921 13.070 -13.102 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -11.353 9.857 -14.487 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -11.352 11.596 -14.801 1.00 0.00 H new ATOM 323 N GLY A 24 -5.359 11.708 -9.962 1.00 0.00 N ATOM 324 CA GLY A 24 -4.565 12.738 -10.606 1.00 0.00 C ATOM 325 C GLY A 24 -4.289 12.430 -12.065 1.00 0.00 C ATOM 326 O GLY A 24 -5.158 12.604 -12.919 1.00 0.00 O ATOM 0 H GLY A 24 -5.007 10.758 -10.081 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -5.085 13.693 -10.532 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -3.619 12.848 -10.076 1.00 0.00 H new ATOM 330 N LYS A 25 -3.075 11.974 -12.352 1.00 0.00 N ATOM 331 CA LYS A 25 -2.685 11.642 -13.717 1.00 0.00 C ATOM 332 C LYS A 25 -3.525 10.489 -14.257 1.00 0.00 C ATOM 333 O LYS A 25 -3.247 9.322 -13.977 1.00 0.00 O ATOM 334 CB LYS A 25 -1.200 11.274 -13.771 1.00 0.00 C ATOM 335 CG LYS A 25 -0.275 12.479 -13.773 1.00 0.00 C ATOM 336 CD LYS A 25 -0.040 12.999 -15.181 1.00 0.00 C ATOM 337 CE LYS A 25 0.928 12.111 -15.948 1.00 0.00 C ATOM 338 NZ LYS A 25 2.333 12.297 -15.490 1.00 0.00 N ATOM 0 H LYS A 25 -2.343 11.826 -11.657 1.00 0.00 H new ATOM 0 HA LYS A 25 -2.858 12.519 -14.341 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -0.959 10.643 -12.915 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -1.013 10.682 -14.667 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -0.705 13.270 -13.159 1.00 0.00 H new ATOM 0 HG3 LYS A 25 0.679 12.207 -13.321 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -0.989 13.050 -15.714 1.00 0.00 H new ATOM 0 HD3 LYS A 25 0.355 14.014 -15.134 1.00 0.00 H new ATOM 0 HE2 LYS A 25 0.640 11.067 -15.823 1.00 0.00 H new ATOM 0 HE3 LYS A 25 0.860 12.335 -17.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 2.980 11.822 -16.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 2.556 13.312 -15.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 2.446 11.886 -14.541 1.00 0.00 H new ATOM 352 N ASP A 26 -4.550 10.822 -15.034 1.00 0.00 N ATOM 353 CA ASP A 26 -5.428 9.814 -15.615 1.00 0.00 C ATOM 354 C ASP A 26 -5.806 8.760 -14.580 1.00 0.00 C ATOM 355 O ASP A 26 -5.886 7.572 -14.889 1.00 0.00 O ATOM 356 CB ASP A 26 -4.752 9.149 -16.815 1.00 0.00 C ATOM 357 CG ASP A 26 -4.928 9.944 -18.094 1.00 0.00 C ATOM 358 OD1 ASP A 26 -6.084 10.266 -18.437 1.00 0.00 O ATOM 359 OD2 ASP A 26 -3.909 10.245 -18.751 1.00 0.00 O ATOM 0 H ASP A 26 -4.793 11.783 -15.276 1.00 0.00 H new ATOM 0 HA ASP A 26 -6.339 10.311 -15.950 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -3.688 9.029 -16.609 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -5.164 8.149 -16.953 1.00 0.00 H new ATOM 364 N GLY A 27 -6.037 9.203 -13.348 1.00 0.00 N ATOM 365 CA GLY A 27 -6.403 8.285 -12.285 1.00 0.00 C ATOM 366 C GLY A 27 -5.194 7.724 -11.562 1.00 0.00 C ATOM 367 O GLY A 27 -4.054 8.002 -11.936 1.00 0.00 O ATOM 0 H GLY A 27 -5.977 10.182 -13.067 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -7.044 8.800 -11.569 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -6.986 7.464 -12.703 1.00 0.00 H new ATOM 371 N PHE A 28 -5.442 6.934 -10.523 1.00 0.00 N ATOM 372 CA PHE A 28 -4.365 6.334 -9.744 1.00 0.00 C ATOM 373 C PHE A 28 -3.171 6.001 -10.634 1.00 0.00 C ATOM 374 O PHE A 28 -3.113 4.932 -11.239 1.00 0.00 O ATOM 375 CB PHE A 28 -4.859 5.069 -9.040 1.00 0.00 C ATOM 376 CG PHE A 28 -6.288 5.156 -8.585 1.00 0.00 C ATOM 377 CD1 PHE A 28 -6.717 6.215 -7.802 1.00 0.00 C ATOM 378 CD2 PHE A 28 -7.203 4.178 -8.943 1.00 0.00 C ATOM 379 CE1 PHE A 28 -8.031 6.296 -7.382 1.00 0.00 C ATOM 380 CE2 PHE A 28 -8.519 4.254 -8.526 1.00 0.00 C ATOM 381 CZ PHE A 28 -8.934 5.315 -7.745 1.00 0.00 C ATOM 0 H PHE A 28 -6.380 6.694 -10.201 1.00 0.00 H new ATOM 0 HA PHE A 28 -4.046 7.058 -8.994 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -4.752 4.221 -9.717 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -4.223 4.871 -8.177 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -6.017 6.986 -7.517 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -6.884 3.347 -9.555 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -8.352 7.126 -6.770 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -9.222 3.485 -8.811 1.00 0.00 H new ATOM 0 HZ PHE A 28 -9.962 5.378 -7.419 1.00 0.00 H new ATOM 391 N GLY A 29 -2.219 6.927 -10.708 1.00 0.00 N ATOM 392 CA GLY A 29 -1.039 6.714 -11.526 1.00 0.00 C ATOM 393 C GLY A 29 -0.066 5.736 -10.897 1.00 0.00 C ATOM 394 O GLY A 29 1.121 6.032 -10.761 1.00 0.00 O ATOM 0 H GLY A 29 -2.244 7.820 -10.216 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -1.342 6.342 -12.505 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -0.537 7.668 -11.689 1.00 0.00 H new ATOM 398 N PHE A 30 -0.570 4.569 -10.510 1.00 0.00 N ATOM 399 CA PHE A 30 0.263 3.545 -9.889 1.00 0.00 C ATOM 400 C PHE A 30 -0.200 2.149 -10.294 1.00 0.00 C ATOM 401 O PHE A 30 -1.390 1.911 -10.500 1.00 0.00 O ATOM 402 CB PHE A 30 0.228 3.685 -8.366 1.00 0.00 C ATOM 403 CG PHE A 30 -0.917 2.954 -7.723 1.00 0.00 C ATOM 404 CD1 PHE A 30 -2.225 3.337 -7.968 1.00 0.00 C ATOM 405 CD2 PHE A 30 -0.684 1.884 -6.874 1.00 0.00 C ATOM 406 CE1 PHE A 30 -3.280 2.667 -7.377 1.00 0.00 C ATOM 407 CE2 PHE A 30 -1.734 1.210 -6.281 1.00 0.00 C ATOM 408 CZ PHE A 30 -3.034 1.602 -6.534 1.00 0.00 C ATOM 0 H PHE A 30 -1.551 4.309 -10.615 1.00 0.00 H new ATOM 0 HA PHE A 30 1.287 3.684 -10.236 1.00 0.00 H new ATOM 0 HB2 PHE A 30 1.165 3.311 -7.953 1.00 0.00 H new ATOM 0 HB3 PHE A 30 0.165 4.742 -8.108 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -2.423 4.168 -8.628 1.00 0.00 H new ATOM 0 HD2 PHE A 30 0.331 1.573 -6.673 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -4.296 2.977 -7.575 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -1.539 0.378 -5.621 1.00 0.00 H new ATOM 0 HZ PHE A 30 -3.857 1.076 -6.073 1.00 0.00 H new ATOM 418 N THR A 31 0.752 1.227 -10.407 1.00 0.00 N ATOM 419 CA THR A 31 0.444 -0.146 -10.789 1.00 0.00 C ATOM 420 C THR A 31 0.652 -1.102 -9.620 1.00 0.00 C ATOM 421 O THR A 31 1.529 -0.890 -8.781 1.00 0.00 O ATOM 422 CB THR A 31 1.312 -0.607 -11.975 1.00 0.00 C ATOM 423 OG1 THR A 31 1.234 0.348 -13.039 1.00 0.00 O ATOM 424 CG2 THR A 31 0.862 -1.971 -12.477 1.00 0.00 C ATOM 0 H THR A 31 1.742 1.406 -10.239 1.00 0.00 H new ATOM 0 HA THR A 31 -0.604 -0.164 -11.087 1.00 0.00 H new ATOM 0 HB THR A 31 2.344 -0.686 -11.633 1.00 0.00 H new ATOM 0 HG1 THR A 31 1.790 0.049 -13.789 1.00 0.00 H new ATOM 0 HG21 THR A 31 1.490 -2.276 -13.315 1.00 0.00 H new ATOM 0 HG22 THR A 31 0.950 -2.702 -11.673 1.00 0.00 H new ATOM 0 HG23 THR A 31 -0.176 -1.914 -12.804 1.00 0.00 H new ATOM 432 N ILE A 32 -0.158 -2.154 -9.570 1.00 0.00 N ATOM 433 CA ILE A 32 -0.060 -3.143 -8.504 1.00 0.00 C ATOM 434 C ILE A 32 -0.633 -4.486 -8.946 1.00 0.00 C ATOM 435 O ILE A 32 -1.798 -4.577 -9.335 1.00 0.00 O ATOM 436 CB ILE A 32 -0.795 -2.676 -7.234 1.00 0.00 C ATOM 437 CG1 ILE A 32 -2.209 -2.205 -7.581 1.00 0.00 C ATOM 438 CG2 ILE A 32 -0.014 -1.566 -6.548 1.00 0.00 C ATOM 439 CD1 ILE A 32 -3.219 -2.468 -6.486 1.00 0.00 C ATOM 0 H ILE A 32 -0.889 -2.343 -10.255 1.00 0.00 H new ATOM 0 HA ILE A 32 1.000 -3.260 -8.278 1.00 0.00 H new ATOM 0 HB ILE A 32 -0.872 -3.518 -6.546 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -2.185 -1.136 -7.793 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -2.536 -2.704 -8.493 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -0.546 -1.247 -5.652 1.00 0.00 H new ATOM 0 HG22 ILE A 32 0.974 -1.934 -6.271 1.00 0.00 H new ATOM 0 HG23 ILE A 32 0.091 -0.721 -7.228 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -4.199 -2.108 -6.801 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -3.271 -3.539 -6.289 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -2.916 -1.946 -5.578 1.00 0.00 H new ATOM 451 N CYS A 33 0.192 -5.525 -8.881 1.00 0.00 N ATOM 452 CA CYS A 33 -0.233 -6.864 -9.273 1.00 0.00 C ATOM 453 C CYS A 33 0.572 -7.928 -8.534 1.00 0.00 C ATOM 454 O CYS A 33 1.799 -7.971 -8.631 1.00 0.00 O ATOM 455 CB CYS A 33 -0.080 -7.048 -10.783 1.00 0.00 C ATOM 456 SG CYS A 33 -1.474 -6.421 -11.749 1.00 0.00 S ATOM 0 H CYS A 33 1.159 -5.466 -8.561 1.00 0.00 H new ATOM 0 HA CYS A 33 -1.283 -6.978 -9.005 1.00 0.00 H new ATOM 0 HB2 CYS A 33 0.830 -6.544 -11.109 1.00 0.00 H new ATOM 0 HB3 CYS A 33 0.049 -8.109 -10.998 1.00 0.00 H new ATOM 0 HG CYS A 33 -2.001 -5.401 -11.139 1.00 0.00 H new ATOM 462 N CYS A 34 -0.126 -8.783 -7.795 1.00 0.00 N ATOM 463 CA CYS A 34 0.525 -9.846 -7.037 1.00 0.00 C ATOM 464 C CYS A 34 -0.505 -10.699 -6.304 1.00 0.00 C ATOM 465 O CYS A 34 -1.272 -10.195 -5.483 1.00 0.00 O ATOM 466 CB CYS A 34 1.519 -9.253 -6.038 1.00 0.00 C ATOM 467 SG CYS A 34 2.960 -10.299 -5.721 1.00 0.00 S ATOM 0 H CYS A 34 -1.142 -8.761 -7.704 1.00 0.00 H new ATOM 0 HA CYS A 34 1.064 -10.483 -7.739 1.00 0.00 H new ATOM 0 HB2 CYS A 34 1.860 -8.287 -6.411 1.00 0.00 H new ATOM 0 HB3 CYS A 34 1.004 -9.068 -5.096 1.00 0.00 H new ATOM 0 HG CYS A 34 3.743 -9.711 -4.866 1.00 0.00 H new ATOM 473 N ASP A 35 -0.517 -11.992 -6.606 1.00 0.00 N ATOM 474 CA ASP A 35 -1.454 -12.916 -5.976 1.00 0.00 C ATOM 475 C ASP A 35 -1.317 -12.876 -4.457 1.00 0.00 C ATOM 476 O ASP A 35 -0.210 -12.920 -3.921 1.00 0.00 O ATOM 477 CB ASP A 35 -1.219 -14.340 -6.484 1.00 0.00 C ATOM 478 CG ASP A 35 0.238 -14.606 -6.808 1.00 0.00 C ATOM 479 OD1 ASP A 35 1.100 -14.314 -5.952 1.00 0.00 O ATOM 480 OD2 ASP A 35 0.517 -15.106 -7.918 1.00 0.00 O ATOM 0 H ASP A 35 0.111 -12.425 -7.283 1.00 0.00 H new ATOM 0 HA ASP A 35 -2.465 -12.606 -6.241 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -1.556 -15.052 -5.731 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -1.823 -14.509 -7.375 1.00 0.00 H new ATOM 485 N SER A 36 -2.451 -12.791 -3.768 1.00 0.00 N ATOM 486 CA SER A 36 -2.458 -12.740 -2.311 1.00 0.00 C ATOM 487 C SER A 36 -1.296 -13.541 -1.733 1.00 0.00 C ATOM 488 O SER A 36 -1.107 -14.719 -2.040 1.00 0.00 O ATOM 489 CB SER A 36 -3.783 -13.277 -1.767 1.00 0.00 C ATOM 490 OG SER A 36 -4.008 -14.609 -2.196 1.00 0.00 O ATOM 0 H SER A 36 -3.376 -12.756 -4.196 1.00 0.00 H new ATOM 0 HA SER A 36 -2.344 -11.699 -2.009 1.00 0.00 H new ATOM 0 HB2 SER A 36 -3.775 -13.239 -0.678 1.00 0.00 H new ATOM 0 HB3 SER A 36 -4.602 -12.640 -2.102 1.00 0.00 H new ATOM 0 HG SER A 36 -3.151 -15.078 -2.270 1.00 0.00 H new ATOM 496 N PRO A 37 -0.497 -12.889 -0.876 1.00 0.00 N ATOM 497 CA PRO A 37 -0.711 -11.488 -0.503 1.00 0.00 C ATOM 498 C PRO A 37 -0.420 -10.531 -1.655 1.00 0.00 C ATOM 499 O PRO A 37 0.438 -10.799 -2.496 1.00 0.00 O ATOM 500 CB PRO A 37 0.284 -11.268 0.639 1.00 0.00 C ATOM 501 CG PRO A 37 1.357 -12.274 0.405 1.00 0.00 C ATOM 502 CD PRO A 37 0.678 -13.470 -0.204 1.00 0.00 C ATOM 0 HA PRO A 37 -1.747 -11.294 -0.226 1.00 0.00 H new ATOM 0 HB2 PRO A 37 0.683 -10.254 0.627 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -0.189 -11.413 1.610 1.00 0.00 H new ATOM 0 HG2 PRO A 37 2.124 -11.879 -0.262 1.00 0.00 H new ATOM 0 HG3 PRO A 37 1.853 -12.540 1.339 1.00 0.00 H new ATOM 0 HD2 PRO A 37 1.330 -13.987 -0.909 1.00 0.00 H new ATOM 0 HD3 PRO A 37 0.389 -14.197 0.554 1.00 0.00 H new ATOM 510 N VAL A 38 -1.140 -9.414 -1.686 1.00 0.00 N ATOM 511 CA VAL A 38 -0.958 -8.416 -2.734 1.00 0.00 C ATOM 512 C VAL A 38 0.208 -7.489 -2.412 1.00 0.00 C ATOM 513 O VAL A 38 0.439 -7.144 -1.254 1.00 0.00 O ATOM 514 CB VAL A 38 -2.232 -7.572 -2.932 1.00 0.00 C ATOM 515 CG1 VAL A 38 -2.034 -6.563 -4.053 1.00 0.00 C ATOM 516 CG2 VAL A 38 -3.426 -8.470 -3.216 1.00 0.00 C ATOM 0 H VAL A 38 -1.855 -9.177 -0.998 1.00 0.00 H new ATOM 0 HA VAL A 38 -0.744 -8.958 -3.655 1.00 0.00 H new ATOM 0 HB VAL A 38 -2.431 -7.022 -2.012 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -2.944 -5.976 -4.179 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -1.206 -5.900 -3.804 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -1.811 -7.089 -4.981 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -4.317 -7.858 -3.353 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -3.240 -9.048 -4.121 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -3.578 -9.149 -2.377 1.00 0.00 H new ATOM 526 N ARG A 39 0.940 -7.088 -3.447 1.00 0.00 N ATOM 527 CA ARG A 39 2.084 -6.200 -3.275 1.00 0.00 C ATOM 528 C ARG A 39 2.120 -5.141 -4.372 1.00 0.00 C ATOM 529 O ARG A 39 1.471 -5.283 -5.409 1.00 0.00 O ATOM 530 CB ARG A 39 3.386 -7.004 -3.284 1.00 0.00 C ATOM 531 CG ARG A 39 4.536 -6.308 -2.574 1.00 0.00 C ATOM 532 CD ARG A 39 5.810 -7.136 -2.634 1.00 0.00 C ATOM 533 NE ARG A 39 5.780 -8.255 -1.697 1.00 0.00 N ATOM 534 CZ ARG A 39 6.512 -9.354 -1.841 1.00 0.00 C ATOM 535 NH1 ARG A 39 7.329 -9.480 -2.878 1.00 0.00 N ATOM 536 NH2 ARG A 39 6.430 -10.330 -0.945 1.00 0.00 N ATOM 0 H ARG A 39 0.761 -7.364 -4.413 1.00 0.00 H new ATOM 0 HA ARG A 39 1.981 -5.698 -2.313 1.00 0.00 H new ATOM 0 HB2 ARG A 39 3.210 -7.970 -2.811 1.00 0.00 H new ATOM 0 HB3 ARG A 39 3.674 -7.202 -4.316 1.00 0.00 H new ATOM 0 HG2 ARG A 39 4.712 -5.334 -3.031 1.00 0.00 H new ATOM 0 HG3 ARG A 39 4.267 -6.127 -1.533 1.00 0.00 H new ATOM 0 HD2 ARG A 39 5.949 -7.515 -3.647 1.00 0.00 H new ATOM 0 HD3 ARG A 39 6.667 -6.500 -2.411 1.00 0.00 H new ATOM 0 HE ARG A 39 5.163 -8.189 -0.887 1.00 0.00 H new ATOM 0 HH11 ARG A 39 7.397 -8.732 -3.568 1.00 0.00 H new ATOM 0 HH12 ARG A 39 7.890 -10.325 -2.986 1.00 0.00 H new ATOM 0 HH21 ARG A 39 5.804 -10.237 -0.145 1.00 0.00 H new ATOM 0 HH22 ARG A 39 6.993 -11.173 -1.057 1.00 0.00 H new ATOM 550 N VAL A 40 2.883 -4.078 -4.137 1.00 0.00 N ATOM 551 CA VAL A 40 3.004 -2.995 -5.105 1.00 0.00 C ATOM 552 C VAL A 40 4.007 -3.344 -6.198 1.00 0.00 C ATOM 553 O VAL A 40 5.001 -4.026 -5.947 1.00 0.00 O ATOM 554 CB VAL A 40 3.437 -1.681 -4.427 1.00 0.00 C ATOM 555 CG1 VAL A 40 3.452 -0.540 -5.432 1.00 0.00 C ATOM 556 CG2 VAL A 40 2.520 -1.359 -3.256 1.00 0.00 C ATOM 0 H VAL A 40 3.427 -3.944 -3.284 1.00 0.00 H new ATOM 0 HA VAL A 40 2.019 -2.858 -5.550 1.00 0.00 H new ATOM 0 HB VAL A 40 4.449 -1.807 -4.043 1.00 0.00 H new ATOM 0 HG11 VAL A 40 3.760 0.379 -4.934 1.00 0.00 H new ATOM 0 HG12 VAL A 40 4.153 -0.771 -6.234 1.00 0.00 H new ATOM 0 HG13 VAL A 40 2.453 -0.409 -5.849 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.840 -0.428 -2.789 1.00 0.00 H new ATOM 0 HG22 VAL A 40 1.496 -1.252 -3.614 1.00 0.00 H new ATOM 0 HG23 VAL A 40 2.566 -2.166 -2.525 1.00 0.00 H new ATOM 566 N GLN A 41 3.741 -2.872 -7.411 1.00 0.00 N ATOM 567 CA GLN A 41 4.621 -3.135 -8.544 1.00 0.00 C ATOM 568 C GLN A 41 5.576 -1.968 -8.773 1.00 0.00 C ATOM 569 O GLN A 41 6.792 -2.116 -8.652 1.00 0.00 O ATOM 570 CB GLN A 41 3.799 -3.393 -9.807 1.00 0.00 C ATOM 571 CG GLN A 41 4.646 -3.605 -11.052 1.00 0.00 C ATOM 572 CD GLN A 41 3.937 -4.430 -12.107 1.00 0.00 C ATOM 573 OE1 GLN A 41 2.849 -4.957 -11.872 1.00 0.00 O ATOM 574 NE2 GLN A 41 4.551 -4.548 -13.278 1.00 0.00 N ATOM 0 H GLN A 41 2.923 -2.305 -7.635 1.00 0.00 H new ATOM 0 HA GLN A 41 5.210 -4.023 -8.316 1.00 0.00 H new ATOM 0 HB2 GLN A 41 3.173 -4.271 -9.650 1.00 0.00 H new ATOM 0 HB3 GLN A 41 3.129 -2.549 -9.973 1.00 0.00 H new ATOM 0 HG2 GLN A 41 4.914 -2.636 -11.474 1.00 0.00 H new ATOM 0 HG3 GLN A 41 5.576 -4.100 -10.774 1.00 0.00 H new ATOM 0 HE21 GLN A 41 5.452 -4.094 -13.429 1.00 0.00 H new ATOM 0 HE22 GLN A 41 4.122 -5.092 -14.026 1.00 0.00 H new ATOM 583 N ALA A 42 5.017 -0.809 -9.106 1.00 0.00 N ATOM 584 CA ALA A 42 5.819 0.383 -9.351 1.00 0.00 C ATOM 585 C ALA A 42 4.957 1.641 -9.316 1.00 0.00 C ATOM 586 O ALA A 42 3.764 1.596 -9.616 1.00 0.00 O ATOM 587 CB ALA A 42 6.538 0.270 -10.687 1.00 0.00 C ATOM 0 H ALA A 42 4.012 -0.671 -9.212 1.00 0.00 H new ATOM 0 HA ALA A 42 6.562 0.461 -8.557 1.00 0.00 H new ATOM 0 HB1 ALA A 42 7.133 1.167 -10.857 1.00 0.00 H new ATOM 0 HB2 ALA A 42 7.192 -0.602 -10.676 1.00 0.00 H new ATOM 0 HB3 ALA A 42 5.805 0.164 -11.487 1.00 0.00 H new ATOM 593 N VAL A 43 5.569 2.762 -8.949 1.00 0.00 N ATOM 594 CA VAL A 43 4.858 4.033 -8.876 1.00 0.00 C ATOM 595 C VAL A 43 5.267 4.958 -10.017 1.00 0.00 C ATOM 596 O VAL A 43 6.438 5.016 -10.393 1.00 0.00 O ATOM 597 CB VAL A 43 5.116 4.744 -7.535 1.00 0.00 C ATOM 598 CG1 VAL A 43 4.392 6.081 -7.491 1.00 0.00 C ATOM 599 CG2 VAL A 43 4.690 3.860 -6.372 1.00 0.00 C ATOM 0 H VAL A 43 6.556 2.816 -8.697 1.00 0.00 H new ATOM 0 HA VAL A 43 3.795 3.806 -8.960 1.00 0.00 H new ATOM 0 HB VAL A 43 6.186 4.934 -7.445 1.00 0.00 H new ATOM 0 HG11 VAL A 43 4.586 6.569 -6.536 1.00 0.00 H new ATOM 0 HG12 VAL A 43 4.750 6.715 -8.302 1.00 0.00 H new ATOM 0 HG13 VAL A 43 3.320 5.918 -7.604 1.00 0.00 H new ATOM 0 HG21 VAL A 43 4.880 4.379 -5.432 1.00 0.00 H new ATOM 0 HG22 VAL A 43 3.626 3.637 -6.455 1.00 0.00 H new ATOM 0 HG23 VAL A 43 5.258 2.930 -6.394 1.00 0.00 H new ATOM 609 N ASP A 44 4.295 5.680 -10.563 1.00 0.00 N ATOM 610 CA ASP A 44 4.553 6.605 -11.660 1.00 0.00 C ATOM 611 C ASP A 44 5.352 7.812 -11.177 1.00 0.00 C ATOM 612 O ASP A 44 4.961 8.486 -10.224 1.00 0.00 O ATOM 613 CB ASP A 44 3.237 7.066 -12.288 1.00 0.00 C ATOM 614 CG ASP A 44 3.443 7.761 -13.620 1.00 0.00 C ATOM 615 OD1 ASP A 44 3.920 7.100 -14.566 1.00 0.00 O ATOM 616 OD2 ASP A 44 3.126 8.964 -13.716 1.00 0.00 O ATOM 0 H ASP A 44 3.321 5.642 -10.264 1.00 0.00 H new ATOM 0 HA ASP A 44 5.141 6.081 -12.413 1.00 0.00 H new ATOM 0 HB2 ASP A 44 2.583 6.205 -12.428 1.00 0.00 H new ATOM 0 HB3 ASP A 44 2.729 7.744 -11.603 1.00 0.00 H new ATOM 621 N SER A 45 6.472 8.078 -11.840 1.00 0.00 N ATOM 622 CA SER A 45 7.328 9.201 -11.476 1.00 0.00 C ATOM 623 C SER A 45 6.629 10.529 -11.750 1.00 0.00 C ATOM 624 O SER A 45 6.325 10.858 -12.896 1.00 0.00 O ATOM 625 CB SER A 45 8.647 9.137 -12.249 1.00 0.00 C ATOM 626 OG SER A 45 8.452 9.456 -13.616 1.00 0.00 O ATOM 0 H SER A 45 6.808 7.531 -12.633 1.00 0.00 H new ATOM 0 HA SER A 45 7.537 9.134 -10.408 1.00 0.00 H new ATOM 0 HB2 SER A 45 9.364 9.830 -11.809 1.00 0.00 H new ATOM 0 HB3 SER A 45 9.075 8.138 -12.163 1.00 0.00 H new ATOM 0 HG SER A 45 7.538 9.783 -13.748 1.00 0.00 H new ATOM 632 N GLY A 46 6.376 11.288 -10.688 1.00 0.00 N ATOM 633 CA GLY A 46 5.714 12.571 -10.834 1.00 0.00 C ATOM 634 C GLY A 46 4.212 12.435 -10.986 1.00 0.00 C ATOM 635 O GLY A 46 3.594 13.142 -11.781 1.00 0.00 O ATOM 0 H GLY A 46 6.618 11.037 -9.729 1.00 0.00 H new ATOM 0 HA2 GLY A 46 5.933 13.190 -9.964 1.00 0.00 H new ATOM 0 HA3 GLY A 46 6.119 13.088 -11.704 1.00 0.00 H new ATOM 639 N GLY A 47 3.622 11.521 -10.221 1.00 0.00 N ATOM 640 CA GLY A 47 2.188 11.309 -10.291 1.00 0.00 C ATOM 641 C GLY A 47 1.501 11.548 -8.961 1.00 0.00 C ATOM 642 O GLY A 47 2.116 11.993 -7.991 1.00 0.00 O ATOM 0 H GLY A 47 4.111 10.924 -9.554 1.00 0.00 H new ATOM 0 HA2 GLY A 47 1.762 11.975 -11.041 1.00 0.00 H new ATOM 0 HA3 GLY A 47 1.990 10.289 -10.620 1.00 0.00 H new ATOM 646 N PRO A 48 0.195 11.250 -8.903 1.00 0.00 N ATOM 647 CA PRO A 48 -0.605 11.428 -7.687 1.00 0.00 C ATOM 648 C PRO A 48 -0.229 10.432 -6.595 1.00 0.00 C ATOM 649 O PRO A 48 -0.127 10.791 -5.422 1.00 0.00 O ATOM 650 CB PRO A 48 -2.038 11.182 -8.165 1.00 0.00 C ATOM 651 CG PRO A 48 -1.892 10.308 -9.362 1.00 0.00 C ATOM 652 CD PRO A 48 -0.603 10.716 -10.019 1.00 0.00 C ATOM 0 HA PRO A 48 -0.454 12.410 -7.240 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -2.636 10.699 -7.392 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -2.538 12.117 -8.416 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -1.868 9.256 -9.077 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -2.734 10.435 -10.043 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -0.110 9.869 -10.496 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -0.766 11.467 -10.792 1.00 0.00 H new ATOM 660 N ALA A 49 -0.023 9.180 -6.988 1.00 0.00 N ATOM 661 CA ALA A 49 0.344 8.133 -6.043 1.00 0.00 C ATOM 662 C ALA A 49 1.609 8.504 -5.277 1.00 0.00 C ATOM 663 O ALA A 49 1.591 8.622 -4.052 1.00 0.00 O ATOM 664 CB ALA A 49 0.534 6.809 -6.769 1.00 0.00 C ATOM 0 H ALA A 49 -0.104 8.866 -7.955 1.00 0.00 H new ATOM 0 HA ALA A 49 -0.468 8.027 -5.323 1.00 0.00 H new ATOM 0 HB1 ALA A 49 0.808 6.036 -6.051 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -0.395 6.530 -7.266 1.00 0.00 H new ATOM 0 HB3 ALA A 49 1.326 6.911 -7.511 1.00 0.00 H new ATOM 670 N GLU A 50 2.706 8.685 -6.006 1.00 0.00 N ATOM 671 CA GLU A 50 3.980 9.042 -5.392 1.00 0.00 C ATOM 672 C GLU A 50 3.808 10.201 -4.415 1.00 0.00 C ATOM 673 O GLU A 50 4.246 10.129 -3.267 1.00 0.00 O ATOM 674 CB GLU A 50 5.002 9.415 -6.468 1.00 0.00 C ATOM 675 CG GLU A 50 6.445 9.245 -6.021 1.00 0.00 C ATOM 676 CD GLU A 50 7.434 9.464 -7.149 1.00 0.00 C ATOM 677 OE1 GLU A 50 7.726 8.492 -7.878 1.00 0.00 O ATOM 678 OE2 GLU A 50 7.917 10.605 -7.303 1.00 0.00 O ATOM 0 H GLU A 50 2.738 8.590 -7.021 1.00 0.00 H new ATOM 0 HA GLU A 50 4.343 8.176 -4.840 1.00 0.00 H new ATOM 0 HB2 GLU A 50 4.829 8.800 -7.351 1.00 0.00 H new ATOM 0 HB3 GLU A 50 4.842 10.451 -6.766 1.00 0.00 H new ATOM 0 HG2 GLU A 50 6.657 9.948 -5.215 1.00 0.00 H new ATOM 0 HG3 GLU A 50 6.580 8.243 -5.614 1.00 0.00 H new ATOM 685 N ARG A 51 3.167 11.269 -4.879 1.00 0.00 N ATOM 686 CA ARG A 51 2.938 12.444 -4.047 1.00 0.00 C ATOM 687 C ARG A 51 2.306 12.052 -2.715 1.00 0.00 C ATOM 688 O ARG A 51 2.751 12.489 -1.654 1.00 0.00 O ATOM 689 CB ARG A 51 2.039 13.444 -4.776 1.00 0.00 C ATOM 690 CG ARG A 51 2.756 14.228 -5.863 1.00 0.00 C ATOM 691 CD ARG A 51 1.921 15.405 -6.343 1.00 0.00 C ATOM 692 NE ARG A 51 1.693 16.384 -5.283 1.00 0.00 N ATOM 693 CZ ARG A 51 1.395 17.658 -5.510 1.00 0.00 C ATOM 694 NH1 ARG A 51 1.289 18.106 -6.754 1.00 0.00 N ATOM 695 NH2 ARG A 51 1.203 18.488 -4.493 1.00 0.00 N ATOM 0 H ARG A 51 2.797 11.345 -5.827 1.00 0.00 H new ATOM 0 HA ARG A 51 3.903 12.911 -3.848 1.00 0.00 H new ATOM 0 HB2 ARG A 51 1.200 12.909 -5.220 1.00 0.00 H new ATOM 0 HB3 ARG A 51 1.624 14.143 -4.050 1.00 0.00 H new ATOM 0 HG2 ARG A 51 3.711 14.589 -5.483 1.00 0.00 H new ATOM 0 HG3 ARG A 51 2.976 13.570 -6.703 1.00 0.00 H new ATOM 0 HD2 ARG A 51 2.424 15.888 -7.181 1.00 0.00 H new ATOM 0 HD3 ARG A 51 0.962 15.042 -6.713 1.00 0.00 H new ATOM 0 HE ARG A 51 1.767 16.072 -4.315 1.00 0.00 H new ATOM 0 HH11 ARG A 51 1.436 17.471 -7.539 1.00 0.00 H new ATOM 0 HH12 ARG A 51 1.060 19.085 -6.926 1.00 0.00 H new ATOM 0 HH21 ARG A 51 1.284 18.148 -3.535 1.00 0.00 H new ATOM 0 HH22 ARG A 51 0.974 19.466 -4.669 1.00 0.00 H new ATOM 709 N ALA A 52 1.267 11.227 -2.779 1.00 0.00 N ATOM 710 CA ALA A 52 0.575 10.776 -1.578 1.00 0.00 C ATOM 711 C ALA A 52 1.526 10.039 -0.640 1.00 0.00 C ATOM 712 O ALA A 52 1.470 10.212 0.576 1.00 0.00 O ATOM 713 CB ALA A 52 -0.600 9.882 -1.950 1.00 0.00 C ATOM 0 H ALA A 52 0.886 10.857 -3.650 1.00 0.00 H new ATOM 0 HA ALA A 52 0.198 11.655 -1.054 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -1.108 9.552 -1.044 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -1.298 10.440 -2.575 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -0.237 9.013 -2.499 1.00 0.00 H new ATOM 719 N GLY A 53 2.398 9.217 -1.215 1.00 0.00 N ATOM 720 CA GLY A 53 3.348 8.466 -0.416 1.00 0.00 C ATOM 721 C GLY A 53 3.365 6.992 -0.768 1.00 0.00 C ATOM 722 O GLY A 53 3.603 6.143 0.092 1.00 0.00 O ATOM 0 H GLY A 53 2.463 9.058 -2.220 1.00 0.00 H new ATOM 0 HA2 GLY A 53 4.346 8.882 -0.558 1.00 0.00 H new ATOM 0 HA3 GLY A 53 3.102 8.581 0.639 1.00 0.00 H new ATOM 726 N LEU A 54 3.111 6.685 -2.035 1.00 0.00 N ATOM 727 CA LEU A 54 3.096 5.302 -2.499 1.00 0.00 C ATOM 728 C LEU A 54 4.498 4.843 -2.886 1.00 0.00 C ATOM 729 O LEU A 54 5.177 5.493 -3.681 1.00 0.00 O ATOM 730 CB LEU A 54 2.151 5.154 -3.693 1.00 0.00 C ATOM 731 CG LEU A 54 1.480 3.789 -3.853 1.00 0.00 C ATOM 732 CD1 LEU A 54 0.169 3.924 -4.611 1.00 0.00 C ATOM 733 CD2 LEU A 54 2.411 2.818 -4.564 1.00 0.00 C ATOM 0 H LEU A 54 2.913 7.375 -2.760 1.00 0.00 H new ATOM 0 HA LEU A 54 2.740 4.674 -1.682 1.00 0.00 H new ATOM 0 HB2 LEU A 54 1.372 5.912 -3.610 1.00 0.00 H new ATOM 0 HB3 LEU A 54 2.711 5.370 -4.603 1.00 0.00 H new ATOM 0 HG LEU A 54 1.263 3.394 -2.861 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -0.294 2.943 -4.715 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -0.502 4.585 -4.063 1.00 0.00 H new ATOM 0 HD13 LEU A 54 0.362 4.341 -5.600 1.00 0.00 H new ATOM 0 HD21 LEU A 54 1.918 1.852 -4.669 1.00 0.00 H new ATOM 0 HD22 LEU A 54 2.659 3.208 -5.551 1.00 0.00 H new ATOM 0 HD23 LEU A 54 3.324 2.697 -3.982 1.00 0.00 H new ATOM 745 N GLN A 55 4.924 3.718 -2.321 1.00 0.00 N ATOM 746 CA GLN A 55 6.244 3.171 -2.609 1.00 0.00 C ATOM 747 C GLN A 55 6.138 1.755 -3.166 1.00 0.00 C ATOM 748 O GLN A 55 5.388 0.929 -2.647 1.00 0.00 O ATOM 749 CB GLN A 55 7.106 3.170 -1.344 1.00 0.00 C ATOM 750 CG GLN A 55 8.493 2.585 -1.554 1.00 0.00 C ATOM 751 CD GLN A 55 9.255 2.410 -0.255 1.00 0.00 C ATOM 752 OE1 GLN A 55 8.951 1.340 0.470 1.00 0.00 O flip ATOM 753 NE2 GLN A 55 10.107 3.228 0.094 1.00 0.00 N flip ATOM 0 H GLN A 55 4.374 3.168 -1.661 1.00 0.00 H new ATOM 0 HA GLN A 55 6.715 3.804 -3.362 1.00 0.00 H new ATOM 0 HB2 GLN A 55 7.203 4.193 -0.980 1.00 0.00 H new ATOM 0 HB3 GLN A 55 6.595 2.602 -0.567 1.00 0.00 H new ATOM 0 HG2 GLN A 55 8.404 1.619 -2.052 1.00 0.00 H new ATOM 0 HG3 GLN A 55 9.061 3.236 -2.219 1.00 0.00 H new ATOM 0 HE21 GLN A 55 10.309 4.036 -0.494 1.00 0.00 H new ATOM 0 HE22 GLN A 55 10.611 3.097 0.971 1.00 0.00 H new ATOM 762 N GLN A 56 6.893 1.483 -4.226 1.00 0.00 N ATOM 763 CA GLN A 56 6.882 0.168 -4.854 1.00 0.00 C ATOM 764 C GLN A 56 7.461 -0.887 -3.917 1.00 0.00 C ATOM 765 O GLN A 56 8.182 -0.565 -2.972 1.00 0.00 O ATOM 766 CB GLN A 56 7.675 0.197 -6.162 1.00 0.00 C ATOM 767 CG GLN A 56 9.167 0.404 -5.964 1.00 0.00 C ATOM 768 CD GLN A 56 9.950 0.279 -7.256 1.00 0.00 C ATOM 769 OE1 GLN A 56 10.655 1.204 -7.660 1.00 0.00 O ATOM 770 NE2 GLN A 56 9.831 -0.869 -7.911 1.00 0.00 N ATOM 0 H GLN A 56 7.520 2.156 -4.667 1.00 0.00 H new ATOM 0 HA GLN A 56 5.847 -0.095 -5.072 1.00 0.00 H new ATOM 0 HB2 GLN A 56 7.514 -0.740 -6.695 1.00 0.00 H new ATOM 0 HB3 GLN A 56 7.287 0.995 -6.795 1.00 0.00 H new ATOM 0 HG2 GLN A 56 9.339 1.390 -5.533 1.00 0.00 H new ATOM 0 HG3 GLN A 56 9.539 -0.327 -5.246 1.00 0.00 H new ATOM 0 HE21 GLN A 56 9.235 -1.609 -7.539 1.00 0.00 H new ATOM 0 HE22 GLN A 56 10.335 -1.011 -8.786 1.00 0.00 H new ATOM 779 N LEU A 57 7.143 -2.149 -4.186 1.00 0.00 N ATOM 780 CA LEU A 57 7.632 -3.253 -3.367 1.00 0.00 C ATOM 781 C LEU A 57 7.038 -3.193 -1.963 1.00 0.00 C ATOM 782 O LEU A 57 7.756 -3.307 -0.970 1.00 0.00 O ATOM 783 CB LEU A 57 9.159 -3.218 -3.289 1.00 0.00 C ATOM 784 CG LEU A 57 9.898 -3.156 -4.627 1.00 0.00 C ATOM 785 CD1 LEU A 57 11.365 -2.819 -4.411 1.00 0.00 C ATOM 786 CD2 LEU A 57 9.756 -4.473 -5.376 1.00 0.00 C ATOM 0 H LEU A 57 6.549 -2.433 -4.965 1.00 0.00 H new ATOM 0 HA LEU A 57 7.320 -4.187 -3.834 1.00 0.00 H new ATOM 0 HB2 LEU A 57 9.453 -2.353 -2.694 1.00 0.00 H new ATOM 0 HB3 LEU A 57 9.496 -4.104 -2.751 1.00 0.00 H new ATOM 0 HG LEU A 57 9.450 -2.367 -5.232 1.00 0.00 H new ATOM 0 HD11 LEU A 57 11.875 -2.779 -5.374 1.00 0.00 H new ATOM 0 HD12 LEU A 57 11.447 -1.851 -3.917 1.00 0.00 H new ATOM 0 HD13 LEU A 57 11.826 -3.585 -3.788 1.00 0.00 H new ATOM 0 HD21 LEU A 57 10.288 -4.411 -6.325 1.00 0.00 H new ATOM 0 HD22 LEU A 57 10.177 -5.280 -4.776 1.00 0.00 H new ATOM 0 HD23 LEU A 57 8.701 -4.673 -5.564 1.00 0.00 H new ATOM 798 N ASP A 58 5.724 -3.017 -1.889 1.00 0.00 N ATOM 799 CA ASP A 58 5.033 -2.946 -0.607 1.00 0.00 C ATOM 800 C ASP A 58 3.893 -3.959 -0.547 1.00 0.00 C ATOM 801 O ASP A 58 3.036 -3.998 -1.431 1.00 0.00 O ATOM 802 CB ASP A 58 4.491 -1.535 -0.372 1.00 0.00 C ATOM 803 CG ASP A 58 5.593 -0.497 -0.302 1.00 0.00 C ATOM 804 OD1 ASP A 58 6.589 -0.636 -1.043 1.00 0.00 O ATOM 805 OD2 ASP A 58 5.460 0.456 0.493 1.00 0.00 O ATOM 0 H ASP A 58 5.115 -2.921 -2.702 1.00 0.00 H new ATOM 0 HA ASP A 58 5.750 -3.186 0.178 1.00 0.00 H new ATOM 0 HB2 ASP A 58 3.801 -1.275 -1.175 1.00 0.00 H new ATOM 0 HB3 ASP A 58 3.920 -1.518 0.556 1.00 0.00 H new ATOM 810 N THR A 59 3.889 -4.777 0.501 1.00 0.00 N ATOM 811 CA THR A 59 2.857 -5.791 0.675 1.00 0.00 C ATOM 812 C THR A 59 1.581 -5.184 1.246 1.00 0.00 C ATOM 813 O THR A 59 1.552 -4.740 2.394 1.00 0.00 O ATOM 814 CB THR A 59 3.333 -6.924 1.603 1.00 0.00 C ATOM 815 OG1 THR A 59 4.565 -7.470 1.119 1.00 0.00 O ATOM 816 CG2 THR A 59 2.286 -8.024 1.695 1.00 0.00 C ATOM 0 H THR A 59 4.589 -4.757 1.242 1.00 0.00 H new ATOM 0 HA THR A 59 2.650 -6.204 -0.312 1.00 0.00 H new ATOM 0 HB THR A 59 3.488 -6.507 2.598 1.00 0.00 H new ATOM 0 HG1 THR A 59 4.861 -8.189 1.716 1.00 0.00 H new ATOM 0 HG21 THR A 59 2.645 -8.813 2.356 1.00 0.00 H new ATOM 0 HG22 THR A 59 1.359 -7.611 2.092 1.00 0.00 H new ATOM 0 HG23 THR A 59 2.104 -8.437 0.703 1.00 0.00 H new ATOM 824 N VAL A 60 0.525 -5.167 0.438 1.00 0.00 N ATOM 825 CA VAL A 60 -0.755 -4.616 0.863 1.00 0.00 C ATOM 826 C VAL A 60 -1.347 -5.424 2.013 1.00 0.00 C ATOM 827 O VAL A 60 -1.726 -6.583 1.841 1.00 0.00 O ATOM 828 CB VAL A 60 -1.766 -4.581 -0.298 1.00 0.00 C ATOM 829 CG1 VAL A 60 -3.060 -3.911 0.139 1.00 0.00 C ATOM 830 CG2 VAL A 60 -1.168 -3.870 -1.503 1.00 0.00 C ATOM 0 H VAL A 60 0.532 -5.529 -0.515 1.00 0.00 H new ATOM 0 HA VAL A 60 -0.564 -3.597 1.199 1.00 0.00 H new ATOM 0 HB VAL A 60 -1.997 -5.606 -0.587 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -3.762 -3.896 -0.695 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -3.495 -4.467 0.969 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -2.852 -2.889 0.456 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -1.896 -3.854 -2.314 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -0.907 -2.848 -1.230 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -0.272 -4.398 -1.829 1.00 0.00 H new ATOM 840 N LEU A 61 -1.423 -4.805 3.186 1.00 0.00 N ATOM 841 CA LEU A 61 -1.969 -5.466 4.366 1.00 0.00 C ATOM 842 C LEU A 61 -3.489 -5.340 4.407 1.00 0.00 C ATOM 843 O LEU A 61 -4.202 -6.341 4.460 1.00 0.00 O ATOM 844 CB LEU A 61 -1.362 -4.869 5.637 1.00 0.00 C ATOM 845 CG LEU A 61 0.120 -5.161 5.874 1.00 0.00 C ATOM 846 CD1 LEU A 61 0.551 -4.654 7.242 1.00 0.00 C ATOM 847 CD2 LEU A 61 0.397 -6.651 5.744 1.00 0.00 C ATOM 0 H LEU A 61 -1.113 -3.846 3.345 1.00 0.00 H new ATOM 0 HA LEU A 61 -1.712 -6.524 4.310 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -1.499 -3.788 5.608 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -1.926 -5.239 6.493 1.00 0.00 H new ATOM 0 HG LEU A 61 0.700 -4.636 5.115 1.00 0.00 H new ATOM 0 HD11 LEU A 61 1.608 -4.870 7.394 1.00 0.00 H new ATOM 0 HD12 LEU A 61 0.389 -3.578 7.299 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -0.035 -5.150 8.015 1.00 0.00 H new ATOM 0 HD21 LEU A 61 1.457 -6.840 5.916 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -0.193 -7.196 6.480 1.00 0.00 H new ATOM 0 HD23 LEU A 61 0.126 -6.985 4.742 1.00 0.00 H new ATOM 859 N GLN A 62 -3.975 -4.103 4.378 1.00 0.00 N ATOM 860 CA GLN A 62 -5.411 -3.847 4.410 1.00 0.00 C ATOM 861 C GLN A 62 -5.759 -2.600 3.604 1.00 0.00 C ATOM 862 O GLN A 62 -5.078 -1.578 3.697 1.00 0.00 O ATOM 863 CB GLN A 62 -5.889 -3.686 5.854 1.00 0.00 C ATOM 864 CG GLN A 62 -5.406 -2.406 6.516 1.00 0.00 C ATOM 865 CD GLN A 62 -5.866 -2.284 7.955 1.00 0.00 C ATOM 866 OE1 GLN A 62 -5.070 -2.000 8.852 1.00 0.00 O ATOM 867 NE2 GLN A 62 -7.156 -2.497 8.185 1.00 0.00 N ATOM 0 H GLN A 62 -3.397 -3.264 4.332 1.00 0.00 H new ATOM 0 HA GLN A 62 -5.918 -4.701 3.960 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -6.979 -3.705 5.871 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -5.546 -4.539 6.439 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -4.317 -2.373 6.483 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -5.769 -1.549 5.949 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -7.780 -2.730 7.413 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -7.523 -2.428 9.134 1.00 0.00 H new ATOM 876 N LEU A 63 -6.822 -2.690 2.814 1.00 0.00 N ATOM 877 CA LEU A 63 -7.262 -1.569 1.991 1.00 0.00 C ATOM 878 C LEU A 63 -8.700 -1.183 2.320 1.00 0.00 C ATOM 879 O LEU A 63 -9.571 -2.043 2.445 1.00 0.00 O ATOM 880 CB LEU A 63 -7.143 -1.922 0.507 1.00 0.00 C ATOM 881 CG LEU A 63 -7.980 -1.077 -0.453 1.00 0.00 C ATOM 882 CD1 LEU A 63 -7.291 -0.963 -1.804 1.00 0.00 C ATOM 883 CD2 LEU A 63 -9.372 -1.671 -0.611 1.00 0.00 C ATOM 0 H LEU A 63 -7.396 -3.528 2.726 1.00 0.00 H new ATOM 0 HA LEU A 63 -6.618 -0.717 2.208 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -6.096 -1.836 0.216 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -7.424 -2.967 0.379 1.00 0.00 H new ATOM 0 HG LEU A 63 -8.079 -0.076 -0.033 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -7.902 -0.358 -2.474 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -6.316 -0.492 -1.677 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -7.160 -1.957 -2.231 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -9.954 -1.057 -1.298 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -9.293 -2.683 -1.008 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -9.868 -1.699 0.359 1.00 0.00 H new ATOM 895 N ASN A 64 -8.942 0.117 2.455 1.00 0.00 N ATOM 896 CA ASN A 64 -10.276 0.618 2.768 1.00 0.00 C ATOM 897 C ASN A 64 -10.772 0.053 4.096 1.00 0.00 C ATOM 898 O ASN A 64 -11.853 -0.529 4.168 1.00 0.00 O ATOM 899 CB ASN A 64 -11.255 0.255 1.649 1.00 0.00 C ATOM 900 CG ASN A 64 -11.329 1.323 0.576 1.00 0.00 C ATOM 901 OD1 ASN A 64 -10.175 1.703 0.039 1.00 0.00 O flip ATOM 902 ND2 ASN A 64 -12.410 1.801 0.233 1.00 0.00 N flip ATOM 0 H ASN A 64 -8.232 0.842 2.353 1.00 0.00 H new ATOM 0 HA ASN A 64 -10.219 1.703 2.854 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -10.952 -0.690 1.197 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -12.247 0.101 2.074 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -13.272 1.479 0.673 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -12.444 2.519 -0.491 1.00 0.00 H new ATOM 909 N GLU A 65 -9.972 0.231 5.143 1.00 0.00 N ATOM 910 CA GLU A 65 -10.330 -0.261 6.468 1.00 0.00 C ATOM 911 C GLU A 65 -10.885 -1.681 6.390 1.00 0.00 C ATOM 912 O GLU A 65 -11.713 -2.081 7.209 1.00 0.00 O ATOM 913 CB GLU A 65 -11.360 0.665 7.120 1.00 0.00 C ATOM 914 CG GLU A 65 -12.651 0.791 6.330 1.00 0.00 C ATOM 915 CD GLU A 65 -13.680 1.658 7.028 1.00 0.00 C ATOM 916 OE1 GLU A 65 -13.862 1.495 8.253 1.00 0.00 O ATOM 917 OE2 GLU A 65 -14.304 2.501 6.350 1.00 0.00 O ATOM 0 H GLU A 65 -9.073 0.711 5.099 1.00 0.00 H new ATOM 0 HA GLU A 65 -9.427 -0.275 7.078 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -11.590 0.293 8.119 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -10.920 1.655 7.242 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -12.432 1.212 5.349 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -13.070 -0.202 6.165 1.00 0.00 H new ATOM 924 N ARG A 66 -10.423 -2.436 5.399 1.00 0.00 N ATOM 925 CA ARG A 66 -10.874 -3.810 5.212 1.00 0.00 C ATOM 926 C ARG A 66 -9.689 -4.745 4.986 1.00 0.00 C ATOM 927 O ARG A 66 -8.684 -4.376 4.379 1.00 0.00 O ATOM 928 CB ARG A 66 -11.839 -3.896 4.028 1.00 0.00 C ATOM 929 CG ARG A 66 -13.238 -3.396 4.346 1.00 0.00 C ATOM 930 CD ARG A 66 -14.154 -3.499 3.136 1.00 0.00 C ATOM 931 NE ARG A 66 -15.512 -3.054 3.439 1.00 0.00 N ATOM 932 CZ ARG A 66 -16.378 -2.655 2.513 1.00 0.00 C ATOM 933 NH1 ARG A 66 -16.029 -2.646 1.234 1.00 0.00 N ATOM 934 NH2 ARG A 66 -17.596 -2.265 2.867 1.00 0.00 N ATOM 0 H ARG A 66 -9.737 -2.120 4.713 1.00 0.00 H new ATOM 0 HA ARG A 66 -11.393 -4.122 6.118 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -11.435 -3.316 3.198 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -11.900 -4.932 3.694 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -13.655 -3.976 5.170 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -13.188 -2.359 4.679 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -13.749 -2.898 2.322 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -14.180 -4.531 2.788 1.00 0.00 H new ATOM 0 HE ARG A 66 -15.812 -3.049 4.414 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -15.094 -2.946 0.958 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -16.696 -2.339 0.526 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -17.868 -2.271 3.850 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -18.260 -1.959 2.156 1.00 0.00 H new ATOM 948 N PRO A 67 -9.809 -5.984 5.486 1.00 0.00 N ATOM 949 CA PRO A 67 -8.758 -6.997 5.350 1.00 0.00 C ATOM 950 C PRO A 67 -8.605 -7.485 3.914 1.00 0.00 C ATOM 951 O PRO A 67 -9.555 -7.988 3.314 1.00 0.00 O ATOM 952 CB PRO A 67 -9.242 -8.134 6.253 1.00 0.00 C ATOM 953 CG PRO A 67 -10.722 -7.971 6.306 1.00 0.00 C ATOM 954 CD PRO A 67 -10.979 -6.491 6.221 1.00 0.00 C ATOM 0 HA PRO A 67 -7.778 -6.606 5.622 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -8.965 -9.107 5.847 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -8.800 -8.066 7.247 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -11.202 -8.498 5.482 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -11.127 -8.385 7.229 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -11.909 -6.274 5.695 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -11.059 -6.039 7.210 1.00 0.00 H new ATOM 962 N VAL A 68 -7.402 -7.335 3.368 1.00 0.00 N ATOM 963 CA VAL A 68 -7.124 -7.763 2.002 1.00 0.00 C ATOM 964 C VAL A 68 -5.823 -8.553 1.927 1.00 0.00 C ATOM 965 O VAL A 68 -5.218 -8.671 0.862 1.00 0.00 O ATOM 966 CB VAL A 68 -7.037 -6.560 1.044 1.00 0.00 C ATOM 967 CG1 VAL A 68 -8.292 -5.706 1.143 1.00 0.00 C ATOM 968 CG2 VAL A 68 -5.795 -5.733 1.339 1.00 0.00 C ATOM 0 H VAL A 68 -6.605 -6.920 3.851 1.00 0.00 H new ATOM 0 HA VAL A 68 -7.952 -8.403 1.696 1.00 0.00 H new ATOM 0 HB VAL A 68 -6.962 -6.935 0.023 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -8.212 -4.861 0.459 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -9.162 -6.306 0.878 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -8.402 -5.338 2.163 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -5.750 -4.887 0.653 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -5.837 -5.366 2.365 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -4.907 -6.352 1.211 1.00 0.00 H new ATOM 978 N GLU A 69 -5.399 -9.093 3.065 1.00 0.00 N ATOM 979 CA GLU A 69 -4.168 -9.872 3.128 1.00 0.00 C ATOM 980 C GLU A 69 -4.271 -11.123 2.261 1.00 0.00 C ATOM 981 O GLU A 69 -3.285 -11.566 1.671 1.00 0.00 O ATOM 982 CB GLU A 69 -3.860 -10.265 4.575 1.00 0.00 C ATOM 983 CG GLU A 69 -2.375 -10.403 4.866 1.00 0.00 C ATOM 984 CD GLU A 69 -1.860 -11.807 4.618 1.00 0.00 C ATOM 985 OE1 GLU A 69 -2.475 -12.764 5.133 1.00 0.00 O ATOM 986 OE2 GLU A 69 -0.841 -11.949 3.910 1.00 0.00 O ATOM 0 H GLU A 69 -5.889 -9.006 3.955 1.00 0.00 H new ATOM 0 HA GLU A 69 -3.356 -9.252 2.747 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -4.285 -9.516 5.244 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -4.355 -11.210 4.799 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -1.820 -9.701 4.244 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -2.185 -10.128 5.904 1.00 0.00 H new ATOM 993 N HIS A 70 -5.472 -11.688 2.188 1.00 0.00 N ATOM 994 CA HIS A 70 -5.705 -12.888 1.392 1.00 0.00 C ATOM 995 C HIS A 70 -6.468 -12.553 0.114 1.00 0.00 C ATOM 996 O HIS A 70 -7.178 -13.396 -0.435 1.00 0.00 O ATOM 997 CB HIS A 70 -6.482 -13.923 2.207 1.00 0.00 C ATOM 998 CG HIS A 70 -6.254 -15.333 1.758 1.00 0.00 C ATOM 999 ND1 HIS A 70 -5.250 -16.131 2.264 1.00 0.00 N ATOM 1000 CD2 HIS A 70 -6.908 -16.089 0.845 1.00 0.00 C ATOM 1001 CE1 HIS A 70 -5.295 -17.315 1.681 1.00 0.00 C ATOM 1002 NE2 HIS A 70 -6.293 -17.316 0.816 1.00 0.00 N ATOM 0 H HIS A 70 -6.298 -11.334 2.670 1.00 0.00 H new ATOM 0 HA HIS A 70 -4.736 -13.305 1.117 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -6.199 -13.834 3.256 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -7.547 -13.698 2.144 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -7.756 -15.784 0.250 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -4.629 -18.142 1.878 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -6.563 -18.101 0.223 1.00 0.00 H new ATOM 1011 N TRP A 71 -6.317 -11.319 -0.352 1.00 0.00 N ATOM 1012 CA TRP A 71 -6.993 -10.873 -1.566 1.00 0.00 C ATOM 1013 C TRP A 71 -6.045 -10.905 -2.760 1.00 0.00 C ATOM 1014 O TRP A 71 -4.871 -10.554 -2.643 1.00 0.00 O ATOM 1015 CB TRP A 71 -7.545 -9.459 -1.376 1.00 0.00 C ATOM 1016 CG TRP A 71 -8.733 -9.403 -0.463 1.00 0.00 C ATOM 1017 CD1 TRP A 71 -9.108 -10.344 0.452 1.00 0.00 C ATOM 1018 CD2 TRP A 71 -9.701 -8.352 -0.380 1.00 0.00 C ATOM 1019 NE1 TRP A 71 -10.251 -9.941 1.100 1.00 0.00 N ATOM 1020 CE2 TRP A 71 -10.634 -8.722 0.607 1.00 0.00 C ATOM 1021 CE3 TRP A 71 -9.869 -7.133 -1.043 1.00 0.00 C ATOM 1022 CZ2 TRP A 71 -11.718 -7.917 0.946 1.00 0.00 C ATOM 1023 CZ3 TRP A 71 -10.946 -6.335 -0.706 1.00 0.00 C ATOM 1024 CH2 TRP A 71 -11.859 -6.729 0.281 1.00 0.00 C ATOM 0 H TRP A 71 -5.733 -10.610 0.091 1.00 0.00 H new ATOM 0 HA TRP A 71 -7.820 -11.555 -1.764 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -6.758 -8.820 -0.976 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -7.823 -9.052 -2.348 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -8.583 -11.269 0.639 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -10.735 -10.464 1.829 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -9.170 -6.820 -1.805 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 -12.423 -8.219 1.707 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -11.086 -5.391 -1.212 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -12.690 -6.083 0.522 1.00 0.00 H new ATOM 1035 N LYS A 72 -6.562 -11.329 -3.908 1.00 0.00 N ATOM 1036 CA LYS A 72 -5.762 -11.407 -5.125 1.00 0.00 C ATOM 1037 C LYS A 72 -5.797 -10.084 -5.884 1.00 0.00 C ATOM 1038 O LYS A 72 -6.361 -9.099 -5.407 1.00 0.00 O ATOM 1039 CB LYS A 72 -6.272 -12.536 -6.024 1.00 0.00 C ATOM 1040 CG LYS A 72 -6.134 -13.916 -5.404 1.00 0.00 C ATOM 1041 CD LYS A 72 -6.263 -15.012 -6.448 1.00 0.00 C ATOM 1042 CE LYS A 72 -7.716 -15.404 -6.669 1.00 0.00 C ATOM 1043 NZ LYS A 72 -7.852 -16.470 -7.700 1.00 0.00 N ATOM 0 H LYS A 72 -7.532 -11.624 -4.021 1.00 0.00 H new ATOM 0 HA LYS A 72 -4.731 -11.616 -4.840 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -7.321 -12.356 -6.260 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -5.725 -12.514 -6.967 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -5.167 -13.998 -4.907 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -6.898 -14.050 -4.638 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -5.830 -14.672 -7.389 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -5.693 -15.886 -6.132 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -8.146 -15.751 -5.729 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -8.286 -14.527 -6.976 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -8.857 -16.709 -7.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -7.465 -16.130 -8.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -7.329 -17.316 -7.396 1.00 0.00 H new ATOM 1057 N CYS A 73 -5.192 -10.070 -7.066 1.00 0.00 N ATOM 1058 CA CYS A 73 -5.154 -8.867 -7.891 1.00 0.00 C ATOM 1059 C CYS A 73 -6.557 -8.473 -8.342 1.00 0.00 C ATOM 1060 O CYS A 73 -7.021 -7.366 -8.068 1.00 0.00 O ATOM 1061 CB CYS A 73 -4.257 -9.088 -9.110 1.00 0.00 C ATOM 1062 SG CYS A 73 -2.835 -10.159 -8.796 1.00 0.00 S ATOM 0 H CYS A 73 -4.721 -10.877 -7.475 1.00 0.00 H new ATOM 0 HA CYS A 73 -4.744 -8.056 -7.289 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -4.854 -9.521 -9.913 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -3.899 -8.121 -9.464 1.00 0.00 H new ATOM 0 HG CYS A 73 -2.139 -10.287 -9.886 1.00 0.00 H new ATOM 1068 N VAL A 74 -7.228 -9.386 -9.037 1.00 0.00 N ATOM 1069 CA VAL A 74 -8.578 -9.134 -9.526 1.00 0.00 C ATOM 1070 C VAL A 74 -9.555 -8.944 -8.371 1.00 0.00 C ATOM 1071 O VAL A 74 -10.568 -8.259 -8.510 1.00 0.00 O ATOM 1072 CB VAL A 74 -9.076 -10.286 -10.420 1.00 0.00 C ATOM 1073 CG1 VAL A 74 -8.375 -10.255 -11.770 1.00 0.00 C ATOM 1074 CG2 VAL A 74 -8.863 -11.625 -9.730 1.00 0.00 C ATOM 0 H VAL A 74 -6.859 -10.307 -9.274 1.00 0.00 H new ATOM 0 HA VAL A 74 -8.534 -8.218 -10.116 1.00 0.00 H new ATOM 0 HB VAL A 74 -10.145 -10.156 -10.589 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -8.739 -11.076 -12.388 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -8.583 -9.307 -12.266 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -7.300 -10.360 -11.624 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -9.220 -12.428 -10.375 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -7.801 -11.766 -9.529 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -9.415 -11.642 -8.790 1.00 0.00 H new ATOM 1084 N GLU A 75 -9.243 -9.554 -7.232 1.00 0.00 N ATOM 1085 CA GLU A 75 -10.094 -9.451 -6.053 1.00 0.00 C ATOM 1086 C GLU A 75 -9.917 -8.098 -5.370 1.00 0.00 C ATOM 1087 O GLU A 75 -10.888 -7.474 -4.941 1.00 0.00 O ATOM 1088 CB GLU A 75 -9.776 -10.577 -5.067 1.00 0.00 C ATOM 1089 CG GLU A 75 -10.603 -11.832 -5.290 1.00 0.00 C ATOM 1090 CD GLU A 75 -10.164 -12.984 -4.407 1.00 0.00 C ATOM 1091 OE1 GLU A 75 -8.942 -13.203 -4.280 1.00 0.00 O ATOM 1092 OE2 GLU A 75 -11.045 -13.667 -3.842 1.00 0.00 O ATOM 0 H GLU A 75 -8.408 -10.124 -7.101 1.00 0.00 H new ATOM 0 HA GLU A 75 -11.131 -9.543 -6.377 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -8.719 -10.830 -5.146 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -9.943 -10.218 -4.052 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -11.653 -11.610 -5.097 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -10.528 -12.131 -6.335 1.00 0.00 H new ATOM 1099 N LEU A 76 -8.670 -7.649 -5.274 1.00 0.00 N ATOM 1100 CA LEU A 76 -8.364 -6.370 -4.643 1.00 0.00 C ATOM 1101 C LEU A 76 -8.760 -5.208 -5.548 1.00 0.00 C ATOM 1102 O LEU A 76 -9.563 -4.357 -5.166 1.00 0.00 O ATOM 1103 CB LEU A 76 -6.873 -6.287 -4.310 1.00 0.00 C ATOM 1104 CG LEU A 76 -6.435 -5.074 -3.490 1.00 0.00 C ATOM 1105 CD1 LEU A 76 -7.388 -4.843 -2.327 1.00 0.00 C ATOM 1106 CD2 LEU A 76 -5.011 -5.256 -2.986 1.00 0.00 C ATOM 0 H LEU A 76 -7.855 -8.152 -5.625 1.00 0.00 H new ATOM 0 HA LEU A 76 -8.940 -6.301 -3.720 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -6.592 -7.189 -3.766 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -6.312 -6.291 -5.244 1.00 0.00 H new ATOM 0 HG LEU A 76 -6.461 -4.196 -4.135 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -7.060 -3.975 -1.755 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -8.393 -4.666 -2.710 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -7.395 -5.722 -1.682 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -4.716 -4.382 -2.404 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -4.958 -6.145 -2.358 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -4.337 -5.371 -3.835 1.00 0.00 H new ATOM 1118 N ALA A 77 -8.193 -5.180 -6.749 1.00 0.00 N ATOM 1119 CA ALA A 77 -8.490 -4.125 -7.710 1.00 0.00 C ATOM 1120 C ALA A 77 -9.969 -3.756 -7.680 1.00 0.00 C ATOM 1121 O ALA A 77 -10.330 -2.586 -7.808 1.00 0.00 O ATOM 1122 CB ALA A 77 -8.080 -4.556 -9.111 1.00 0.00 C ATOM 0 H ALA A 77 -7.525 -5.876 -7.080 1.00 0.00 H new ATOM 0 HA ALA A 77 -7.916 -3.241 -7.431 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -8.308 -3.758 -9.818 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -7.010 -4.763 -9.129 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -8.628 -5.456 -9.390 1.00 0.00 H new ATOM 1128 N HIS A 78 -10.822 -4.761 -7.510 1.00 0.00 N ATOM 1129 CA HIS A 78 -12.263 -4.541 -7.463 1.00 0.00 C ATOM 1130 C HIS A 78 -12.609 -3.407 -6.503 1.00 0.00 C ATOM 1131 O HIS A 78 -13.399 -2.523 -6.832 1.00 0.00 O ATOM 1132 CB HIS A 78 -12.982 -5.822 -7.037 1.00 0.00 C ATOM 1133 CG HIS A 78 -14.451 -5.637 -6.808 1.00 0.00 C ATOM 1134 ND1 HIS A 78 -15.407 -5.984 -7.738 1.00 0.00 N ATOM 1135 CD2 HIS A 78 -15.125 -5.138 -5.745 1.00 0.00 C ATOM 1136 CE1 HIS A 78 -16.606 -5.706 -7.258 1.00 0.00 C ATOM 1137 NE2 HIS A 78 -16.463 -5.192 -6.050 1.00 0.00 N ATOM 0 H HIS A 78 -10.540 -5.735 -7.403 1.00 0.00 H new ATOM 0 HA HIS A 78 -12.595 -4.261 -8.463 1.00 0.00 H new ATOM 0 HB2 HIS A 78 -12.835 -6.583 -7.803 1.00 0.00 H new ATOM 0 HB3 HIS A 78 -12.525 -6.198 -6.122 1.00 0.00 H new ATOM 0 HD2 HIS A 78 -14.691 -4.767 -4.828 1.00 0.00 H new ATOM 0 HE1 HIS A 78 -17.544 -5.871 -7.767 1.00 0.00 H new ATOM 0 HE2 HIS A 78 -17.223 -4.885 -5.442 1.00 0.00 H new ATOM 1146 N GLU A 79 -12.012 -3.440 -5.315 1.00 0.00 N ATOM 1147 CA GLU A 79 -12.259 -2.415 -4.308 1.00 0.00 C ATOM 1148 C GLU A 79 -11.711 -1.065 -4.761 1.00 0.00 C ATOM 1149 O GLU A 79 -12.419 -0.057 -4.739 1.00 0.00 O ATOM 1150 CB GLU A 79 -11.623 -2.815 -2.975 1.00 0.00 C ATOM 1151 CG GLU A 79 -12.548 -3.618 -2.076 1.00 0.00 C ATOM 1152 CD GLU A 79 -13.941 -3.024 -1.993 1.00 0.00 C ATOM 1153 OE1 GLU A 79 -14.059 -1.832 -1.640 1.00 0.00 O ATOM 1154 OE2 GLU A 79 -14.914 -3.752 -2.283 1.00 0.00 O ATOM 0 H GLU A 79 -11.355 -4.165 -5.027 1.00 0.00 H new ATOM 0 HA GLU A 79 -13.337 -2.324 -4.175 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -10.724 -3.399 -3.172 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -11.309 -1.915 -2.447 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -12.614 -4.640 -2.449 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -12.120 -3.672 -1.075 1.00 0.00 H new ATOM 1161 N ILE A 80 -10.447 -1.053 -5.169 1.00 0.00 N ATOM 1162 CA ILE A 80 -9.804 0.173 -5.627 1.00 0.00 C ATOM 1163 C ILE A 80 -10.648 0.874 -6.686 1.00 0.00 C ATOM 1164 O ILE A 80 -10.837 2.089 -6.640 1.00 0.00 O ATOM 1165 CB ILE A 80 -8.404 -0.108 -6.205 1.00 0.00 C ATOM 1166 CG1 ILE A 80 -7.492 -0.696 -5.127 1.00 0.00 C ATOM 1167 CG2 ILE A 80 -7.803 1.167 -6.778 1.00 0.00 C ATOM 1168 CD1 ILE A 80 -6.229 -1.319 -5.678 1.00 0.00 C ATOM 0 H ILE A 80 -9.848 -1.878 -5.192 1.00 0.00 H new ATOM 0 HA ILE A 80 -9.705 0.822 -4.757 1.00 0.00 H new ATOM 0 HB ILE A 80 -8.498 -0.836 -7.011 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -7.222 0.091 -4.422 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -8.045 -1.450 -4.567 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -6.814 0.953 -7.183 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -8.446 1.547 -7.572 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -7.718 1.915 -5.990 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -5.631 -1.715 -4.857 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -6.490 -2.128 -6.360 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -5.654 -0.563 -6.214 1.00 0.00 H new ATOM 1180 N ARG A 81 -11.155 0.098 -7.639 1.00 0.00 N ATOM 1181 CA ARG A 81 -11.980 0.644 -8.710 1.00 0.00 C ATOM 1182 C ARG A 81 -13.337 1.094 -8.175 1.00 0.00 C ATOM 1183 O ARG A 81 -14.017 1.914 -8.792 1.00 0.00 O ATOM 1184 CB ARG A 81 -12.175 -0.397 -9.814 1.00 0.00 C ATOM 1185 CG ARG A 81 -13.138 -1.511 -9.437 1.00 0.00 C ATOM 1186 CD ARG A 81 -13.856 -2.062 -10.659 1.00 0.00 C ATOM 1187 NE ARG A 81 -15.027 -2.856 -10.294 1.00 0.00 N ATOM 1188 CZ ARG A 81 -16.058 -3.061 -11.105 1.00 0.00 C ATOM 1189 NH1 ARG A 81 -16.063 -2.534 -12.322 1.00 0.00 N ATOM 1190 NH2 ARG A 81 -17.087 -3.795 -10.700 1.00 0.00 N ATOM 0 H ARG A 81 -11.009 -0.910 -7.691 1.00 0.00 H new ATOM 0 HA ARG A 81 -11.466 1.511 -9.125 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -12.543 0.101 -10.711 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -11.208 -0.833 -10.065 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -12.592 -2.314 -8.941 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -13.870 -1.135 -8.722 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -14.163 -1.237 -11.302 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -13.167 -2.677 -11.238 1.00 0.00 H new ATOM 0 HE ARG A 81 -15.054 -3.276 -9.365 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -15.274 -1.970 -12.637 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -16.856 -2.693 -12.943 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -17.086 -4.202 -9.765 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -17.879 -3.952 -11.324 1.00 0.00 H new ATOM 1204 N SER A 82 -13.723 0.552 -7.025 1.00 0.00 N ATOM 1205 CA SER A 82 -15.000 0.894 -6.409 1.00 0.00 C ATOM 1206 C SER A 82 -15.093 2.395 -6.149 1.00 0.00 C ATOM 1207 O SER A 82 -16.143 3.007 -6.347 1.00 0.00 O ATOM 1208 CB SER A 82 -15.181 0.126 -5.099 1.00 0.00 C ATOM 1209 OG SER A 82 -16.547 0.067 -4.726 1.00 0.00 O ATOM 0 H SER A 82 -13.170 -0.126 -6.501 1.00 0.00 H new ATOM 0 HA SER A 82 -15.795 0.612 -7.099 1.00 0.00 H new ATOM 0 HB2 SER A 82 -14.787 -0.884 -5.209 1.00 0.00 H new ATOM 0 HB3 SER A 82 -14.606 0.608 -4.309 1.00 0.00 H new ATOM 0 HG SER A 82 -16.636 -0.430 -3.886 1.00 0.00 H new ATOM 1215 N CYS A 83 -13.987 2.981 -5.703 1.00 0.00 N ATOM 1216 CA CYS A 83 -13.942 4.410 -5.413 1.00 0.00 C ATOM 1217 C CYS A 83 -12.994 5.128 -6.368 1.00 0.00 C ATOM 1218 O CYS A 83 -11.774 5.110 -6.200 1.00 0.00 O ATOM 1219 CB CYS A 83 -13.505 4.645 -3.967 1.00 0.00 C ATOM 1220 SG CYS A 83 -14.792 4.308 -2.743 1.00 0.00 S ATOM 0 H CYS A 83 -13.110 2.489 -5.534 1.00 0.00 H new ATOM 0 HA CYS A 83 -14.944 4.816 -5.551 1.00 0.00 H new ATOM 0 HB2 CYS A 83 -12.641 4.016 -3.753 1.00 0.00 H new ATOM 0 HB3 CYS A 83 -13.179 5.680 -3.861 1.00 0.00 H new ATOM 0 HG CYS A 83 -14.326 4.533 -1.550 1.00 0.00 H new ATOM 1226 N PRO A 84 -13.565 5.775 -7.394 1.00 0.00 N ATOM 1227 CA PRO A 84 -12.788 6.511 -8.396 1.00 0.00 C ATOM 1228 C PRO A 84 -12.153 7.775 -7.825 1.00 0.00 C ATOM 1229 O PRO A 84 -10.967 8.031 -8.028 1.00 0.00 O ATOM 1230 CB PRO A 84 -13.829 6.870 -9.459 1.00 0.00 C ATOM 1231 CG PRO A 84 -15.127 6.888 -8.727 1.00 0.00 C ATOM 1232 CD PRO A 84 -15.012 5.839 -7.655 1.00 0.00 C ATOM 0 HA PRO A 84 -11.954 5.922 -8.778 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -13.616 7.839 -9.911 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -13.840 6.137 -10.266 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -15.317 7.870 -8.294 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -15.957 6.670 -9.399 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -15.570 6.116 -6.760 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -15.403 4.878 -7.990 1.00 0.00 H new ATOM 1240 N SER A 85 -12.952 8.561 -7.110 1.00 0.00 N ATOM 1241 CA SER A 85 -12.468 9.800 -6.512 1.00 0.00 C ATOM 1242 C SER A 85 -11.153 9.570 -5.774 1.00 0.00 C ATOM 1243 O SER A 85 -10.086 9.950 -6.254 1.00 0.00 O ATOM 1244 CB SER A 85 -13.513 10.368 -5.549 1.00 0.00 C ATOM 1245 OG SER A 85 -14.554 11.022 -6.255 1.00 0.00 O ATOM 0 H SER A 85 -13.936 8.362 -6.931 1.00 0.00 H new ATOM 0 HA SER A 85 -12.294 10.518 -7.314 1.00 0.00 H new ATOM 0 HB2 SER A 85 -13.930 9.563 -4.943 1.00 0.00 H new ATOM 0 HB3 SER A 85 -13.037 11.069 -4.864 1.00 0.00 H new ATOM 0 HG SER A 85 -15.210 11.375 -5.618 1.00 0.00 H new ATOM 1251 N GLU A 86 -11.239 8.945 -4.604 1.00 0.00 N ATOM 1252 CA GLU A 86 -10.056 8.666 -3.799 1.00 0.00 C ATOM 1253 C GLU A 86 -10.053 7.216 -3.322 1.00 0.00 C ATOM 1254 O GLU A 86 -11.082 6.541 -3.347 1.00 0.00 O ATOM 1255 CB GLU A 86 -9.995 9.610 -2.596 1.00 0.00 C ATOM 1256 CG GLU A 86 -9.313 10.934 -2.896 1.00 0.00 C ATOM 1257 CD GLU A 86 -10.283 11.993 -3.380 1.00 0.00 C ATOM 1258 OE1 GLU A 86 -10.853 12.710 -2.531 1.00 0.00 O ATOM 1259 OE2 GLU A 86 -10.472 12.106 -4.610 1.00 0.00 O ATOM 0 H GLU A 86 -12.115 8.623 -4.193 1.00 0.00 H new ATOM 0 HA GLU A 86 -9.177 8.828 -4.423 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -11.009 9.804 -2.245 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -9.466 9.114 -1.782 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -8.810 11.291 -1.997 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -8.543 10.779 -3.652 1.00 0.00 H new ATOM 1266 N ILE A 87 -8.888 6.745 -2.889 1.00 0.00 N ATOM 1267 CA ILE A 87 -8.751 5.376 -2.406 1.00 0.00 C ATOM 1268 C ILE A 87 -7.776 5.301 -1.236 1.00 0.00 C ATOM 1269 O ILE A 87 -6.777 6.021 -1.200 1.00 0.00 O ATOM 1270 CB ILE A 87 -8.269 4.431 -3.522 1.00 0.00 C ATOM 1271 CG1 ILE A 87 -6.986 4.970 -4.159 1.00 0.00 C ATOM 1272 CG2 ILE A 87 -9.355 4.256 -4.573 1.00 0.00 C ATOM 1273 CD1 ILE A 87 -6.109 3.893 -4.758 1.00 0.00 C ATOM 0 H ILE A 87 -8.026 7.290 -2.863 1.00 0.00 H new ATOM 0 HA ILE A 87 -9.739 5.058 -2.074 1.00 0.00 H new ATOM 0 HB ILE A 87 -8.053 3.456 -3.084 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -7.250 5.687 -4.937 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -6.416 5.513 -3.405 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -9.000 3.585 -5.355 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -10.246 3.832 -4.109 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -9.599 5.225 -5.009 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -5.218 4.348 -5.191 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -5.815 3.189 -3.980 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -6.661 3.365 -5.535 1.00 0.00 H new ATOM 1285 N ILE A 88 -8.071 4.425 -0.282 1.00 0.00 N ATOM 1286 CA ILE A 88 -7.219 4.254 0.888 1.00 0.00 C ATOM 1287 C ILE A 88 -6.662 2.836 0.961 1.00 0.00 C ATOM 1288 O ILE A 88 -7.414 1.868 1.077 1.00 0.00 O ATOM 1289 CB ILE A 88 -7.982 4.561 2.190 1.00 0.00 C ATOM 1290 CG1 ILE A 88 -8.529 5.990 2.162 1.00 0.00 C ATOM 1291 CG2 ILE A 88 -7.076 4.358 3.396 1.00 0.00 C ATOM 1292 CD1 ILE A 88 -9.544 6.270 3.249 1.00 0.00 C ATOM 0 H ILE A 88 -8.894 3.822 -0.296 1.00 0.00 H new ATOM 0 HA ILE A 88 -6.395 4.960 0.784 1.00 0.00 H new ATOM 0 HB ILE A 88 -8.823 3.872 2.272 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -7.699 6.690 2.262 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -8.988 6.176 1.191 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -7.630 4.579 4.308 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -6.731 3.324 3.422 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -6.217 5.025 3.322 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -9.888 7.301 3.168 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -10.392 5.594 3.138 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -9.084 6.117 4.225 1.00 0.00 H new ATOM 1304 N LEU A 89 -5.341 2.722 0.893 1.00 0.00 N ATOM 1305 CA LEU A 89 -4.681 1.422 0.952 1.00 0.00 C ATOM 1306 C LEU A 89 -3.505 1.452 1.922 1.00 0.00 C ATOM 1307 O LEU A 89 -2.651 2.337 1.852 1.00 0.00 O ATOM 1308 CB LEU A 89 -4.199 1.008 -0.439 1.00 0.00 C ATOM 1309 CG LEU A 89 -3.242 1.977 -1.133 1.00 0.00 C ATOM 1310 CD1 LEU A 89 -2.339 1.232 -2.105 1.00 0.00 C ATOM 1311 CD2 LEU A 89 -4.018 3.069 -1.855 1.00 0.00 C ATOM 0 H LEU A 89 -4.705 3.514 0.797 1.00 0.00 H new ATOM 0 HA LEU A 89 -5.406 0.691 1.311 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -3.707 0.039 -0.358 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -5.071 0.870 -1.078 1.00 0.00 H new ATOM 0 HG LEU A 89 -2.616 2.445 -0.373 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -1.665 1.938 -2.589 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -1.756 0.488 -1.563 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -2.948 0.736 -2.860 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -3.320 3.749 -2.343 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -4.669 2.618 -2.604 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -4.621 3.623 -1.136 1.00 0.00 H new ATOM 1323 N LEU A 90 -3.465 0.479 2.826 1.00 0.00 N ATOM 1324 CA LEU A 90 -2.391 0.392 3.809 1.00 0.00 C ATOM 1325 C LEU A 90 -1.402 -0.709 3.440 1.00 0.00 C ATOM 1326 O LEU A 90 -1.796 -1.801 3.031 1.00 0.00 O ATOM 1327 CB LEU A 90 -2.968 0.128 5.201 1.00 0.00 C ATOM 1328 CG LEU A 90 -1.953 -0.191 6.299 1.00 0.00 C ATOM 1329 CD1 LEU A 90 -0.997 0.975 6.498 1.00 0.00 C ATOM 1330 CD2 LEU A 90 -2.664 -0.528 7.602 1.00 0.00 C ATOM 0 H LEU A 90 -4.164 -0.260 2.898 1.00 0.00 H new ATOM 0 HA LEU A 90 -1.860 1.344 3.816 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -3.541 1.003 5.507 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -3.670 -0.703 5.130 1.00 0.00 H new ATOM 0 HG LEU A 90 -1.374 -1.061 5.989 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -0.282 0.729 7.283 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -0.462 1.170 5.568 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -1.561 1.863 6.785 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -1.926 -0.752 8.372 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -3.269 0.322 7.916 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -3.307 -1.395 7.452 1.00 0.00 H new ATOM 1342 N VAL A 91 -0.114 -0.415 3.588 1.00 0.00 N ATOM 1343 CA VAL A 91 0.932 -1.380 3.273 1.00 0.00 C ATOM 1344 C VAL A 91 2.040 -1.352 4.321 1.00 0.00 C ATOM 1345 O VAL A 91 2.097 -0.446 5.153 1.00 0.00 O ATOM 1346 CB VAL A 91 1.546 -1.111 1.886 1.00 0.00 C ATOM 1347 CG1 VAL A 91 0.487 -1.237 0.801 1.00 0.00 C ATOM 1348 CG2 VAL A 91 2.198 0.263 1.850 1.00 0.00 C ATOM 0 H VAL A 91 0.230 0.484 3.924 1.00 0.00 H new ATOM 0 HA VAL A 91 0.463 -2.364 3.270 1.00 0.00 H new ATOM 0 HB VAL A 91 2.317 -1.858 1.697 1.00 0.00 H new ATOM 0 HG11 VAL A 91 0.938 -1.044 -0.172 1.00 0.00 H new ATOM 0 HG12 VAL A 91 0.071 -2.244 0.814 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -0.308 -0.513 0.982 1.00 0.00 H new ATOM 0 HG21 VAL A 91 2.627 0.437 0.863 1.00 0.00 H new ATOM 0 HG22 VAL A 91 1.449 1.027 2.060 1.00 0.00 H new ATOM 0 HG23 VAL A 91 2.986 0.312 2.601 1.00 0.00 H new ATOM 1358 N TRP A 92 2.917 -2.347 4.273 1.00 0.00 N ATOM 1359 CA TRP A 92 4.024 -2.436 5.218 1.00 0.00 C ATOM 1360 C TRP A 92 5.314 -1.912 4.597 1.00 0.00 C ATOM 1361 O TRP A 92 5.691 -2.312 3.495 1.00 0.00 O ATOM 1362 CB TRP A 92 4.216 -3.883 5.676 1.00 0.00 C ATOM 1363 CG TRP A 92 5.442 -4.083 6.514 1.00 0.00 C ATOM 1364 CD1 TRP A 92 6.698 -4.384 6.071 1.00 0.00 C ATOM 1365 CD2 TRP A 92 5.528 -3.998 7.941 1.00 0.00 C ATOM 1366 NE1 TRP A 92 7.560 -4.492 7.136 1.00 0.00 N ATOM 1367 CE2 TRP A 92 6.867 -4.258 8.294 1.00 0.00 C ATOM 1368 CE3 TRP A 92 4.605 -3.726 8.954 1.00 0.00 C ATOM 1369 CZ2 TRP A 92 7.302 -4.255 9.617 1.00 0.00 C ATOM 1370 CZ3 TRP A 92 5.038 -3.723 10.267 1.00 0.00 C ATOM 1371 CH2 TRP A 92 6.377 -3.985 10.588 1.00 0.00 C ATOM 0 H TRP A 92 2.884 -3.104 3.590 1.00 0.00 H new ATOM 0 HA TRP A 92 3.781 -1.818 6.082 1.00 0.00 H new ATOM 0 HB2 TRP A 92 3.341 -4.196 6.245 1.00 0.00 H new ATOM 0 HB3 TRP A 92 4.274 -4.529 4.800 1.00 0.00 H new ATOM 0 HD1 TRP A 92 6.974 -4.518 5.035 1.00 0.00 H new ATOM 0 HE1 TRP A 92 8.554 -4.711 7.074 1.00 0.00 H new ATOM 0 HE3 TRP A 92 3.572 -3.522 8.716 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 8.333 -4.459 9.867 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 4.333 -3.515 11.058 1.00 0.00 H new ATOM 0 HH2 TRP A 92 6.685 -3.973 11.623 1.00 0.00 H new ATOM 1382 N ARG A 93 5.987 -1.014 5.309 1.00 0.00 N ATOM 1383 CA ARG A 93 7.234 -0.434 4.826 1.00 0.00 C ATOM 1384 C ARG A 93 8.349 -0.609 5.854 1.00 0.00 C ATOM 1385 O ARG A 93 8.139 -0.416 7.051 1.00 0.00 O ATOM 1386 CB ARG A 93 7.043 1.051 4.512 1.00 0.00 C ATOM 1387 CG ARG A 93 8.062 1.601 3.527 1.00 0.00 C ATOM 1388 CD ARG A 93 7.597 2.916 2.922 1.00 0.00 C ATOM 1389 NE ARG A 93 6.430 2.741 2.062 1.00 0.00 N ATOM 1390 CZ ARG A 93 5.771 3.749 1.501 1.00 0.00 C ATOM 1391 NH1 ARG A 93 6.163 4.998 1.710 1.00 0.00 N ATOM 1392 NH2 ARG A 93 4.718 3.509 0.731 1.00 0.00 N ATOM 0 H ARG A 93 5.689 -0.672 6.223 1.00 0.00 H new ATOM 0 HA ARG A 93 7.519 -0.957 3.913 1.00 0.00 H new ATOM 0 HB2 ARG A 93 6.042 1.203 4.109 1.00 0.00 H new ATOM 0 HB3 ARG A 93 7.103 1.620 5.440 1.00 0.00 H new ATOM 0 HG2 ARG A 93 9.016 1.749 4.033 1.00 0.00 H new ATOM 0 HG3 ARG A 93 8.232 0.874 2.733 1.00 0.00 H new ATOM 0 HD2 ARG A 93 7.356 3.617 3.721 1.00 0.00 H new ATOM 0 HD3 ARG A 93 8.410 3.357 2.345 1.00 0.00 H new ATOM 0 HE ARG A 93 6.102 1.792 1.882 1.00 0.00 H new ATOM 0 HH11 ARG A 93 6.972 5.186 2.302 1.00 0.00 H new ATOM 0 HH12 ARG A 93 5.656 5.771 1.278 1.00 0.00 H new ATOM 0 HH21 ARG A 93 4.413 2.549 0.569 1.00 0.00 H new ATOM 0 HH22 ARG A 93 4.213 4.284 0.301 1.00 0.00 H new ATOM 1406 N VAL A 94 9.534 -0.975 5.377 1.00 0.00 N ATOM 1407 CA VAL A 94 10.682 -1.175 6.253 1.00 0.00 C ATOM 1408 C VAL A 94 11.798 -0.188 5.931 1.00 0.00 C ATOM 1409 O VAL A 94 12.068 0.101 4.765 1.00 0.00 O ATOM 1410 CB VAL A 94 11.232 -2.610 6.140 1.00 0.00 C ATOM 1411 CG1 VAL A 94 11.617 -2.922 4.701 1.00 0.00 C ATOM 1412 CG2 VAL A 94 12.419 -2.800 7.072 1.00 0.00 C ATOM 0 H VAL A 94 9.724 -1.139 4.388 1.00 0.00 H new ATOM 0 HA VAL A 94 10.335 -1.006 7.272 1.00 0.00 H new ATOM 0 HB VAL A 94 10.449 -3.306 6.440 1.00 0.00 H new ATOM 0 HG11 VAL A 94 12.003 -3.939 4.640 1.00 0.00 H new ATOM 0 HG12 VAL A 94 10.740 -2.828 4.061 1.00 0.00 H new ATOM 0 HG13 VAL A 94 12.384 -2.222 4.370 1.00 0.00 H new ATOM 0 HG21 VAL A 94 12.795 -3.819 6.979 1.00 0.00 H new ATOM 0 HG22 VAL A 94 13.208 -2.097 6.805 1.00 0.00 H new ATOM 0 HG23 VAL A 94 12.106 -2.621 8.101 1.00 0.00 H new ATOM 1422 N SER A 95 12.444 0.327 6.972 1.00 0.00 N ATOM 1423 CA SER A 95 13.530 1.285 6.800 1.00 0.00 C ATOM 1424 C SER A 95 14.814 0.580 6.373 1.00 0.00 C ATOM 1425 O SER A 95 15.503 -0.028 7.190 1.00 0.00 O ATOM 1426 CB SER A 95 13.767 2.057 8.100 1.00 0.00 C ATOM 1427 OG SER A 95 14.428 3.286 7.849 1.00 0.00 O ATOM 0 H SER A 95 12.234 0.097 7.943 1.00 0.00 H new ATOM 0 HA SER A 95 13.243 1.986 6.016 1.00 0.00 H new ATOM 0 HB2 SER A 95 12.814 2.247 8.593 1.00 0.00 H new ATOM 0 HB3 SER A 95 14.364 1.452 8.783 1.00 0.00 H new ATOM 0 HG SER A 95 14.567 3.762 8.695 1.00 0.00 H new ATOM 1433 N GLY A 96 15.129 0.668 5.084 1.00 0.00 N ATOM 1434 CA GLY A 96 16.329 0.034 4.569 1.00 0.00 C ATOM 1435 C GLY A 96 17.066 0.911 3.576 1.00 0.00 C ATOM 1436 O GLY A 96 16.718 0.980 2.397 1.00 0.00 O ATOM 0 H GLY A 96 14.575 1.167 4.388 1.00 0.00 H new ATOM 0 HA2 GLY A 96 16.993 -0.208 5.399 1.00 0.00 H new ATOM 0 HA3 GLY A 96 16.062 -0.908 4.089 1.00 0.00 H new ATOM 1440 N PRO A 97 18.111 1.602 4.054 1.00 0.00 N ATOM 1441 CA PRO A 97 18.921 2.492 3.217 1.00 0.00 C ATOM 1442 C PRO A 97 19.766 1.726 2.204 1.00 0.00 C ATOM 1443 O PRO A 97 20.528 2.320 1.441 1.00 0.00 O ATOM 1444 CB PRO A 97 19.819 3.211 4.227 1.00 0.00 C ATOM 1445 CG PRO A 97 19.908 2.278 5.385 1.00 0.00 C ATOM 1446 CD PRO A 97 18.583 1.568 5.448 1.00 0.00 C ATOM 0 HA PRO A 97 18.303 3.164 2.622 1.00 0.00 H new ATOM 0 HB2 PRO A 97 20.804 3.415 3.806 1.00 0.00 H new ATOM 0 HB3 PRO A 97 19.394 4.170 4.523 1.00 0.00 H new ATOM 0 HG2 PRO A 97 20.725 1.569 5.253 1.00 0.00 H new ATOM 0 HG3 PRO A 97 20.104 2.821 6.310 1.00 0.00 H new ATOM 0 HD2 PRO A 97 18.692 0.546 5.811 1.00 0.00 H new ATOM 0 HD3 PRO A 97 17.888 2.072 6.120 1.00 0.00 H new ATOM 1454 N SER A 98 19.626 0.405 2.203 1.00 0.00 N ATOM 1455 CA SER A 98 20.379 -0.443 1.286 1.00 0.00 C ATOM 1456 C SER A 98 21.860 -0.458 1.652 1.00 0.00 C ATOM 1457 O SER A 98 22.726 -0.379 0.782 1.00 0.00 O ATOM 1458 CB SER A 98 20.202 0.044 -0.153 1.00 0.00 C ATOM 1459 OG SER A 98 18.834 0.257 -0.456 1.00 0.00 O ATOM 0 H SER A 98 18.998 -0.102 2.827 1.00 0.00 H new ATOM 0 HA SER A 98 19.992 -1.459 1.368 1.00 0.00 H new ATOM 0 HB2 SER A 98 20.758 0.970 -0.297 1.00 0.00 H new ATOM 0 HB3 SER A 98 20.620 -0.690 -0.842 1.00 0.00 H new ATOM 0 HG SER A 98 18.749 0.570 -1.381 1.00 0.00 H new ATOM 1465 N SER A 99 22.142 -0.560 2.947 1.00 0.00 N ATOM 1466 CA SER A 99 23.517 -0.581 3.431 1.00 0.00 C ATOM 1467 C SER A 99 24.115 -1.979 3.306 1.00 0.00 C ATOM 1468 O SER A 99 23.541 -2.957 3.783 1.00 0.00 O ATOM 1469 CB SER A 99 23.576 -0.117 4.887 1.00 0.00 C ATOM 1470 OG SER A 99 23.422 1.289 4.981 1.00 0.00 O ATOM 0 H SER A 99 21.436 -0.629 3.680 1.00 0.00 H new ATOM 0 HA SER A 99 24.103 0.103 2.816 1.00 0.00 H new ATOM 0 HB2 SER A 99 22.792 -0.611 5.461 1.00 0.00 H new ATOM 0 HB3 SER A 99 24.528 -0.412 5.328 1.00 0.00 H new ATOM 0 HG SER A 99 23.462 1.560 5.922 1.00 0.00 H new ATOM 1476 N GLY A 100 25.275 -2.065 2.661 1.00 0.00 N ATOM 1477 CA GLY A 100 25.932 -3.347 2.485 1.00 0.00 C ATOM 1478 C GLY A 100 27.370 -3.331 2.963 1.00 0.00 C ATOM 1479 O GLY A 100 27.888 -2.287 3.361 1.00 0.00 O ATOM 0 H GLY A 100 25.771 -1.270 2.258 1.00 0.00 H new ATOM 0 HA2 GLY A 100 25.380 -4.113 3.030 1.00 0.00 H new ATOM 0 HA3 GLY A 100 25.906 -3.624 1.431 1.00 0.00 H new TER 1483 GLY A 100