USER MOD reduce.3.24.130724 H: found=0, std=0, add=718, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 716 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 8 GLN : amide:sc= -0.0483 X(o=0.33,f=0.31) USER MOD Set 1.2: A 85 SER OG : rot 8:sc= 0.378 USER MOD Set 2.1: A 78 LYS NZ :NH3+ -159:sc= 0.219 (180deg=-0.00658) USER MOD Set 2.2: A 82 ASN : amide:sc= 0 X(o=0.22,f=0.071) USER MOD Set 3.1: A 45 THR OG1 : rot 24:sc= 0.802 USER MOD Set 3.2: A 74 THR OG1 : rot 83:sc= 0.185 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.294 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 15 LYS NZ :NH3+ -115:sc= -1.92! (180deg=-5.72!) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot -110:sc= -0.0365 USER MOD Single : A 25 THR OG1 : rot 44:sc= 0.29 USER MOD Single : A 29 SER OG : rot -57:sc= 0.00724 USER MOD Single : A 30 LYS NZ :NH3+ -166:sc=-0.00685 (180deg=-0.152) USER MOD Single : A 31 SER OG : rot 98:sc= 1.1 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= -0.0169 X(o=-0.017,f=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 37:sc= 0.663 USER MOD Single : A 40 TYR OH : rot 180:sc= -0.721 USER MOD Single : A 44 LYS NZ :NH3+ -152:sc= -1.53 (180deg=-2.49!) USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 GLN : amide:sc= 0 K(o=0,f=-0.99) USER MOD Single : A 55 ASN : amide:sc= 0 X(o=0,f=-0.013) USER MOD Single : A 57 ASN : amide:sc= -0.0391 X(o=-0.039,f=0) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 100:sc= 0.282 USER MOD Single : A 62 THR OG1 : rot 180:sc= -2.8! USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= -3.43 K(o=-3.4,f=-4.7!) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 TYR OH : rot -15:sc= -0.842 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 86 GLN : amide:sc= -1.02 K(o=-1,f=-1.6) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 90 ASN : amide:sc= -0.124 K(o=-0.12,f=-1.6!) USER MOD Single : A 94 LYS NZ :NH3+ -121:sc= 0.0134 (180deg=-2!) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 24.493 -3.806 10.199 1.00 0.00 N ATOM 2 CA GLY A 1 23.777 -3.397 11.393 1.00 0.00 C ATOM 3 C GLY A 1 24.068 -1.961 11.781 1.00 0.00 C ATOM 4 O GLY A 1 24.515 -1.691 12.896 1.00 0.00 O ATOM 0 H1 GLY A 1 24.260 -4.795 9.976 1.00 0.00 H new ATOM 0 H2 GLY A 1 24.216 -3.197 9.403 1.00 0.00 H new ATOM 0 H3 GLY A 1 25.517 -3.720 10.361 1.00 0.00 H new ATOM 0 HA2 GLY A 1 22.706 -3.516 11.229 1.00 0.00 H new ATOM 0 HA3 GLY A 1 24.048 -4.055 12.219 1.00 0.00 H new ATOM 8 N SER A 2 23.816 -1.038 10.859 1.00 0.00 N ATOM 9 CA SER A 2 24.059 0.378 11.109 1.00 0.00 C ATOM 10 C SER A 2 23.068 1.244 10.337 1.00 0.00 C ATOM 11 O SER A 2 22.635 0.886 9.242 1.00 0.00 O ATOM 12 CB SER A 2 25.491 0.748 10.716 1.00 0.00 C ATOM 13 OG SER A 2 25.665 0.691 9.311 1.00 0.00 O ATOM 0 H SER A 2 23.444 -1.245 9.932 1.00 0.00 H new ATOM 0 HA SER A 2 23.923 0.562 12.175 1.00 0.00 H new ATOM 0 HB2 SER A 2 25.722 1.751 11.074 1.00 0.00 H new ATOM 0 HB3 SER A 2 26.192 0.068 11.200 1.00 0.00 H new ATOM 0 HG SER A 2 26.587 0.933 9.086 1.00 0.00 H new ATOM 19 N SER A 3 22.713 2.386 10.917 1.00 0.00 N ATOM 20 CA SER A 3 21.770 3.303 10.287 1.00 0.00 C ATOM 21 C SER A 3 22.501 4.484 9.655 1.00 0.00 C ATOM 22 O SER A 3 23.566 4.889 10.118 1.00 0.00 O ATOM 23 CB SER A 3 20.753 3.807 11.313 1.00 0.00 C ATOM 24 OG SER A 3 19.627 4.382 10.674 1.00 0.00 O ATOM 0 H SER A 3 23.064 2.698 11.822 1.00 0.00 H new ATOM 0 HA SER A 3 21.244 2.761 9.501 1.00 0.00 H new ATOM 0 HB2 SER A 3 20.432 2.981 11.948 1.00 0.00 H new ATOM 0 HB3 SER A 3 21.223 4.545 11.963 1.00 0.00 H new ATOM 0 HG SER A 3 18.991 4.695 11.351 1.00 0.00 H new ATOM 30 N GLY A 4 21.917 5.034 8.594 1.00 0.00 N ATOM 31 CA GLY A 4 22.525 6.163 7.916 1.00 0.00 C ATOM 32 C GLY A 4 21.553 7.307 7.708 1.00 0.00 C ATOM 33 O GLY A 4 21.537 8.266 8.479 1.00 0.00 O ATOM 0 H GLY A 4 21.034 4.718 8.193 1.00 0.00 H new ATOM 0 HA2 GLY A 4 23.377 6.516 8.497 1.00 0.00 H new ATOM 0 HA3 GLY A 4 22.911 5.838 6.950 1.00 0.00 H new ATOM 37 N SER A 5 20.739 7.208 6.661 1.00 0.00 N ATOM 38 CA SER A 5 19.763 8.245 6.350 1.00 0.00 C ATOM 39 C SER A 5 18.371 7.841 6.827 1.00 0.00 C ATOM 40 O SER A 5 18.086 6.658 7.016 1.00 0.00 O ATOM 41 CB SER A 5 19.739 8.518 4.845 1.00 0.00 C ATOM 42 OG SER A 5 19.379 7.354 4.121 1.00 0.00 O ATOM 0 H SER A 5 20.737 6.419 6.014 1.00 0.00 H new ATOM 0 HA SER A 5 20.058 9.155 6.872 1.00 0.00 H new ATOM 0 HB2 SER A 5 19.031 9.318 4.629 1.00 0.00 H new ATOM 0 HB3 SER A 5 20.720 8.864 4.519 1.00 0.00 H new ATOM 0 HG SER A 5 19.369 7.555 3.162 1.00 0.00 H new ATOM 48 N SER A 6 17.508 8.833 7.021 1.00 0.00 N ATOM 49 CA SER A 6 16.147 8.583 7.480 1.00 0.00 C ATOM 50 C SER A 6 15.244 8.190 6.315 1.00 0.00 C ATOM 51 O SER A 6 15.326 8.764 5.230 1.00 0.00 O ATOM 52 CB SER A 6 15.585 9.823 8.179 1.00 0.00 C ATOM 53 OG SER A 6 16.279 10.086 9.387 1.00 0.00 O ATOM 0 H SER A 6 17.727 9.817 6.867 1.00 0.00 H new ATOM 0 HA SER A 6 16.176 7.756 8.190 1.00 0.00 H new ATOM 0 HB2 SER A 6 15.663 10.685 7.516 1.00 0.00 H new ATOM 0 HB3 SER A 6 14.525 9.677 8.389 1.00 0.00 H new ATOM 0 HG SER A 6 15.902 10.884 9.814 1.00 0.00 H new ATOM 59 N GLY A 7 14.382 7.204 6.548 1.00 0.00 N ATOM 60 CA GLY A 7 13.476 6.750 5.510 1.00 0.00 C ATOM 61 C GLY A 7 13.878 5.405 4.937 1.00 0.00 C ATOM 62 O GLY A 7 14.703 5.333 4.027 1.00 0.00 O ATOM 0 H GLY A 7 14.296 6.712 7.437 1.00 0.00 H new ATOM 0 HA2 GLY A 7 12.467 6.681 5.917 1.00 0.00 H new ATOM 0 HA3 GLY A 7 13.447 7.489 4.709 1.00 0.00 H new ATOM 66 N GLN A 8 13.295 4.337 5.473 1.00 0.00 N ATOM 67 CA GLN A 8 13.600 2.989 5.010 1.00 0.00 C ATOM 68 C GLN A 8 12.443 2.417 4.198 1.00 0.00 C ATOM 69 O GLN A 8 12.614 2.031 3.043 1.00 0.00 O ATOM 70 CB GLN A 8 13.905 2.076 6.199 1.00 0.00 C ATOM 71 CG GLN A 8 15.276 2.312 6.812 1.00 0.00 C ATOM 72 CD GLN A 8 15.314 1.999 8.295 1.00 0.00 C ATOM 73 OE1 GLN A 8 15.982 1.057 8.725 1.00 0.00 O ATOM 74 NE2 GLN A 8 14.597 2.788 9.086 1.00 0.00 N ATOM 0 H GLN A 8 12.610 4.380 6.227 1.00 0.00 H new ATOM 0 HA GLN A 8 14.479 3.043 4.367 1.00 0.00 H new ATOM 0 HB2 GLN A 8 13.144 2.224 6.965 1.00 0.00 H new ATOM 0 HB3 GLN A 8 13.835 1.037 5.876 1.00 0.00 H new ATOM 0 HG2 GLN A 8 16.012 1.696 6.295 1.00 0.00 H new ATOM 0 HG3 GLN A 8 15.565 3.351 6.656 1.00 0.00 H new ATOM 0 HE21 GLN A 8 14.058 3.557 8.687 1.00 0.00 H new ATOM 0 HE22 GLN A 8 14.585 2.625 10.093 1.00 0.00 H new ATOM 83 N ALA A 9 11.265 2.365 4.812 1.00 0.00 N ATOM 84 CA ALA A 9 10.079 1.842 4.146 1.00 0.00 C ATOM 85 C ALA A 9 9.028 2.931 3.961 1.00 0.00 C ATOM 86 O ALA A 9 8.413 3.384 4.927 1.00 0.00 O ATOM 87 CB ALA A 9 9.501 0.676 4.934 1.00 0.00 C ATOM 0 H ALA A 9 11.107 2.679 5.770 1.00 0.00 H new ATOM 0 HA ALA A 9 10.374 1.487 3.159 1.00 0.00 H new ATOM 0 HB1 ALA A 9 8.616 0.296 4.424 1.00 0.00 H new ATOM 0 HB2 ALA A 9 10.245 -0.117 5.009 1.00 0.00 H new ATOM 0 HB3 ALA A 9 9.228 1.013 5.934 1.00 0.00 H new ATOM 93 N ASP A 10 8.826 3.347 2.716 1.00 0.00 N ATOM 94 CA ASP A 10 7.848 4.383 2.405 1.00 0.00 C ATOM 95 C ASP A 10 6.589 3.776 1.793 1.00 0.00 C ATOM 96 O ASP A 10 6.572 3.411 0.619 1.00 0.00 O ATOM 97 CB ASP A 10 8.451 5.412 1.447 1.00 0.00 C ATOM 98 CG ASP A 10 7.611 6.670 1.346 1.00 0.00 C ATOM 99 OD1 ASP A 10 6.386 6.551 1.137 1.00 0.00 O ATOM 100 OD2 ASP A 10 8.180 7.775 1.475 1.00 0.00 O ATOM 0 H ASP A 10 9.327 2.983 1.905 1.00 0.00 H new ATOM 0 HA ASP A 10 7.574 4.881 3.335 1.00 0.00 H new ATOM 0 HB2 ASP A 10 9.454 5.674 1.784 1.00 0.00 H new ATOM 0 HB3 ASP A 10 8.554 4.967 0.457 1.00 0.00 H new ATOM 105 N ALA A 11 5.538 3.671 2.599 1.00 0.00 N ATOM 106 CA ALA A 11 4.274 3.110 2.137 1.00 0.00 C ATOM 107 C ALA A 11 3.279 4.211 1.788 1.00 0.00 C ATOM 108 O ALA A 11 2.073 4.053 1.972 1.00 0.00 O ATOM 109 CB ALA A 11 3.690 2.184 3.195 1.00 0.00 C ATOM 0 H ALA A 11 5.536 3.967 3.575 1.00 0.00 H new ATOM 0 HA ALA A 11 4.470 2.534 1.233 1.00 0.00 H new ATOM 0 HB1 ALA A 11 2.746 1.772 2.837 1.00 0.00 H new ATOM 0 HB2 ALA A 11 4.389 1.371 3.393 1.00 0.00 H new ATOM 0 HB3 ALA A 11 3.516 2.745 4.113 1.00 0.00 H new ATOM 115 N GLY A 12 3.793 5.329 1.283 1.00 0.00 N ATOM 116 CA GLY A 12 2.935 6.440 0.916 1.00 0.00 C ATOM 117 C GLY A 12 2.167 6.994 2.099 1.00 0.00 C ATOM 118 O GLY A 12 1.999 6.331 3.123 1.00 0.00 O ATOM 0 H GLY A 12 4.788 5.485 1.122 1.00 0.00 H new ATOM 0 HA2 GLY A 12 3.540 7.233 0.476 1.00 0.00 H new ATOM 0 HA3 GLY A 12 2.231 6.114 0.150 1.00 0.00 H new ATOM 122 N PRO A 13 1.685 8.239 1.967 1.00 0.00 N ATOM 123 CA PRO A 13 0.923 8.910 3.025 1.00 0.00 C ATOM 124 C PRO A 13 -0.456 8.292 3.226 1.00 0.00 C ATOM 125 O PRO A 13 -0.814 7.318 2.563 1.00 0.00 O ATOM 126 CB PRO A 13 0.797 10.347 2.514 1.00 0.00 C ATOM 127 CG PRO A 13 0.908 10.233 1.032 1.00 0.00 C ATOM 128 CD PRO A 13 1.847 9.087 0.774 1.00 0.00 C ATOM 0 HA PRO A 13 1.414 8.830 3.995 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -0.155 10.789 2.807 1.00 0.00 H new ATOM 0 HB3 PRO A 13 1.583 10.983 2.922 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -0.067 10.048 0.581 1.00 0.00 H new ATOM 0 HG3 PRO A 13 1.290 11.156 0.597 1.00 0.00 H new ATOM 0 HD2 PRO A 13 1.586 8.551 -0.139 1.00 0.00 H new ATOM 0 HD3 PRO A 13 2.876 9.428 0.660 1.00 0.00 H new ATOM 136 N ASP A 14 -1.228 8.865 4.143 1.00 0.00 N ATOM 137 CA ASP A 14 -2.570 8.372 4.430 1.00 0.00 C ATOM 138 C ASP A 14 -3.389 8.248 3.149 1.00 0.00 C ATOM 139 O ASP A 14 -3.276 9.076 2.245 1.00 0.00 O ATOM 140 CB ASP A 14 -3.278 9.302 5.416 1.00 0.00 C ATOM 141 CG ASP A 14 -3.969 10.461 4.723 1.00 0.00 C ATOM 142 OD1 ASP A 14 -5.056 10.246 4.148 1.00 0.00 O ATOM 143 OD2 ASP A 14 -3.422 11.583 4.758 1.00 0.00 O ATOM 0 H ASP A 14 -0.947 9.672 4.700 1.00 0.00 H new ATOM 0 HA ASP A 14 -2.479 7.383 4.878 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -4.013 8.732 5.985 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -2.552 9.690 6.131 1.00 0.00 H new ATOM 148 N LYS A 15 -4.213 7.208 3.078 1.00 0.00 N ATOM 149 CA LYS A 15 -5.052 6.975 1.909 1.00 0.00 C ATOM 150 C LYS A 15 -6.515 7.270 2.221 1.00 0.00 C ATOM 151 O LYS A 15 -7.044 6.822 3.237 1.00 0.00 O ATOM 152 CB LYS A 15 -4.903 5.529 1.430 1.00 0.00 C ATOM 153 CG LYS A 15 -3.709 5.310 0.517 1.00 0.00 C ATOM 154 CD LYS A 15 -4.075 5.524 -0.942 1.00 0.00 C ATOM 155 CE LYS A 15 -3.905 6.979 -1.352 1.00 0.00 C ATOM 156 NZ LYS A 15 -5.151 7.765 -1.139 1.00 0.00 N ATOM 0 H LYS A 15 -4.318 6.513 3.817 1.00 0.00 H new ATOM 0 HA LYS A 15 -4.725 7.650 1.118 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -4.811 4.876 2.298 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -5.811 5.234 0.904 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -2.907 5.993 0.796 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -3.327 4.298 0.652 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -3.449 4.892 -1.572 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -5.107 5.216 -1.108 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -3.092 7.425 -0.779 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -3.619 7.029 -2.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -5.520 8.087 -2.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -5.862 7.168 -0.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -4.943 8.590 -0.541 1.00 0.00 H new ATOM 170 N GLU A 16 -7.163 8.026 1.340 1.00 0.00 N ATOM 171 CA GLU A 16 -8.565 8.380 1.523 1.00 0.00 C ATOM 172 C GLU A 16 -9.338 8.235 0.215 1.00 0.00 C ATOM 173 O GLU A 16 -9.184 9.041 -0.703 1.00 0.00 O ATOM 174 CB GLU A 16 -8.689 9.813 2.044 1.00 0.00 C ATOM 175 CG GLU A 16 -9.937 10.052 2.878 1.00 0.00 C ATOM 176 CD GLU A 16 -10.246 11.526 3.056 1.00 0.00 C ATOM 177 OE1 GLU A 16 -10.766 12.143 2.102 1.00 0.00 O ATOM 178 OE2 GLU A 16 -9.968 12.062 4.149 1.00 0.00 O ATOM 0 H GLU A 16 -6.739 8.405 0.493 1.00 0.00 H new ATOM 0 HA GLU A 16 -8.993 7.696 2.256 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -7.810 10.050 2.644 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -8.691 10.500 1.197 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -10.786 9.561 2.403 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -9.809 9.591 3.857 1.00 0.00 H new ATOM 185 N LEU A 17 -10.170 7.202 0.138 1.00 0.00 N ATOM 186 CA LEU A 17 -10.967 6.949 -1.057 1.00 0.00 C ATOM 187 C LEU A 17 -12.445 7.222 -0.793 1.00 0.00 C ATOM 188 O LEU A 17 -12.916 7.112 0.339 1.00 0.00 O ATOM 189 CB LEU A 17 -10.779 5.504 -1.523 1.00 0.00 C ATOM 190 CG LEU A 17 -9.342 4.984 -1.534 1.00 0.00 C ATOM 191 CD1 LEU A 17 -9.323 3.464 -1.500 1.00 0.00 C ATOM 192 CD2 LEU A 17 -8.597 5.501 -2.757 1.00 0.00 C ATOM 0 H LEU A 17 -10.310 6.526 0.889 1.00 0.00 H new ATOM 0 HA LEU A 17 -10.626 7.624 -1.841 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -11.374 4.856 -0.880 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -11.185 5.413 -2.530 1.00 0.00 H new ATOM 0 HG LEU A 17 -8.836 5.353 -0.642 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -8.291 3.113 -1.508 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -9.818 3.114 -0.594 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -9.846 3.074 -2.373 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -7.575 5.121 -2.748 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -9.103 5.162 -3.661 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -8.579 6.591 -2.738 1.00 0.00 H new ATOM 204 N THR A 18 -13.173 7.578 -1.847 1.00 0.00 N ATOM 205 CA THR A 18 -14.597 7.865 -1.730 1.00 0.00 C ATOM 206 C THR A 18 -15.390 7.176 -2.835 1.00 0.00 C ATOM 207 O THR A 18 -15.271 7.527 -4.010 1.00 0.00 O ATOM 208 CB THR A 18 -14.870 9.380 -1.787 1.00 0.00 C ATOM 209 OG1 THR A 18 -14.020 10.066 -0.860 1.00 0.00 O ATOM 210 CG2 THR A 18 -16.326 9.680 -1.464 1.00 0.00 C ATOM 0 H THR A 18 -12.800 7.674 -2.791 1.00 0.00 H new ATOM 0 HA THR A 18 -14.919 7.480 -0.762 1.00 0.00 H new ATOM 0 HB THR A 18 -14.659 9.727 -2.799 1.00 0.00 H new ATOM 0 HG1 THR A 18 -14.198 11.029 -0.903 1.00 0.00 H new ATOM 0 HG21 THR A 18 -16.495 10.756 -1.510 1.00 0.00 H new ATOM 0 HG22 THR A 18 -16.970 9.180 -2.188 1.00 0.00 H new ATOM 0 HG23 THR A 18 -16.558 9.319 -0.462 1.00 0.00 H new ATOM 218 N LEU A 19 -16.198 6.194 -2.452 1.00 0.00 N ATOM 219 CA LEU A 19 -17.012 5.455 -3.411 1.00 0.00 C ATOM 220 C LEU A 19 -17.574 6.387 -4.480 1.00 0.00 C ATOM 221 O LEU A 19 -17.719 7.592 -4.274 1.00 0.00 O ATOM 222 CB LEU A 19 -18.155 4.736 -2.692 1.00 0.00 C ATOM 223 CG LEU A 19 -17.785 3.440 -1.971 1.00 0.00 C ATOM 224 CD1 LEU A 19 -18.921 2.988 -1.068 1.00 0.00 C ATOM 225 CD2 LEU A 19 -17.435 2.352 -2.976 1.00 0.00 C ATOM 0 H LEU A 19 -16.307 5.891 -1.484 1.00 0.00 H new ATOM 0 HA LEU A 19 -16.376 4.716 -3.898 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -18.588 5.422 -1.964 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -18.933 4.513 -3.422 1.00 0.00 H new ATOM 0 HG LEU A 19 -16.909 3.630 -1.351 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -18.639 2.064 -0.563 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -19.124 3.760 -0.325 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -19.815 2.816 -1.667 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -17.174 1.437 -2.445 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -18.292 2.165 -3.623 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -16.588 2.675 -3.581 1.00 0.00 H new ATOM 237 N PRO A 20 -17.901 5.817 -5.649 1.00 0.00 N ATOM 238 CA PRO A 20 -17.733 4.383 -5.906 1.00 0.00 C ATOM 239 C PRO A 20 -16.266 3.981 -6.008 1.00 0.00 C ATOM 240 O PRO A 20 -15.945 2.807 -6.193 1.00 0.00 O ATOM 241 CB PRO A 20 -18.439 4.178 -7.248 1.00 0.00 C ATOM 242 CG PRO A 20 -18.381 5.509 -7.914 1.00 0.00 C ATOM 243 CD PRO A 20 -18.460 6.528 -6.811 1.00 0.00 C ATOM 0 HA PRO A 20 -18.139 3.774 -5.099 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -17.940 3.415 -7.845 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -19.469 3.850 -7.107 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -17.458 5.621 -8.483 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -19.205 5.630 -8.617 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -17.885 7.423 -7.049 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -19.487 6.847 -6.631 1.00 0.00 H new ATOM 251 N VAL A 21 -15.378 4.963 -5.887 1.00 0.00 N ATOM 252 CA VAL A 21 -13.944 4.710 -5.964 1.00 0.00 C ATOM 253 C VAL A 21 -13.515 3.661 -4.945 1.00 0.00 C ATOM 254 O VAL A 21 -13.171 3.988 -3.809 1.00 0.00 O ATOM 255 CB VAL A 21 -13.134 5.999 -5.730 1.00 0.00 C ATOM 256 CG1 VAL A 21 -11.649 5.742 -5.938 1.00 0.00 C ATOM 257 CG2 VAL A 21 -13.625 7.110 -6.645 1.00 0.00 C ATOM 0 H VAL A 21 -15.626 5.941 -5.735 1.00 0.00 H new ATOM 0 HA VAL A 21 -13.741 4.339 -6.969 1.00 0.00 H new ATOM 0 HB VAL A 21 -13.282 6.318 -4.698 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -11.093 6.664 -5.768 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -11.310 4.980 -5.237 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -11.479 5.398 -6.958 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -13.042 8.013 -6.466 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -13.509 6.803 -7.684 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -14.677 7.311 -6.441 1.00 0.00 H new ATOM 267 N ASP A 22 -13.537 2.399 -5.359 1.00 0.00 N ATOM 268 CA ASP A 22 -13.149 1.300 -4.482 1.00 0.00 C ATOM 269 C ASP A 22 -11.879 0.623 -4.990 1.00 0.00 C ATOM 270 O ASP A 22 -11.758 -0.602 -4.948 1.00 0.00 O ATOM 271 CB ASP A 22 -14.281 0.277 -4.379 1.00 0.00 C ATOM 272 CG ASP A 22 -14.830 -0.118 -5.736 1.00 0.00 C ATOM 273 OD1 ASP A 22 -14.116 -0.819 -6.484 1.00 0.00 O ATOM 274 OD2 ASP A 22 -15.974 0.272 -6.049 1.00 0.00 O ATOM 0 H ASP A 22 -13.819 2.111 -6.296 1.00 0.00 H new ATOM 0 HA ASP A 22 -12.950 1.710 -3.492 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -13.917 -0.612 -3.865 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -15.086 0.690 -3.771 1.00 0.00 H new ATOM 279 N SER A 23 -10.937 1.427 -5.470 1.00 0.00 N ATOM 280 CA SER A 23 -9.678 0.906 -5.990 1.00 0.00 C ATOM 281 C SER A 23 -8.571 1.949 -5.880 1.00 0.00 C ATOM 282 O SER A 23 -8.745 3.103 -6.274 1.00 0.00 O ATOM 283 CB SER A 23 -9.845 0.475 -7.449 1.00 0.00 C ATOM 284 OG SER A 23 -10.355 1.535 -8.239 1.00 0.00 O ATOM 0 H SER A 23 -11.021 2.443 -5.510 1.00 0.00 H new ATOM 0 HA SER A 23 -9.397 0.039 -5.392 1.00 0.00 H new ATOM 0 HB2 SER A 23 -8.884 0.150 -7.848 1.00 0.00 H new ATOM 0 HB3 SER A 23 -10.519 -0.380 -7.504 1.00 0.00 H new ATOM 0 HG SER A 23 -10.451 1.235 -9.167 1.00 0.00 H new ATOM 290 N THR A 24 -7.428 1.535 -5.340 1.00 0.00 N ATOM 291 CA THR A 24 -6.291 2.432 -5.176 1.00 0.00 C ATOM 292 C THR A 24 -4.974 1.692 -5.376 1.00 0.00 C ATOM 293 O THR A 24 -4.940 0.462 -5.421 1.00 0.00 O ATOM 294 CB THR A 24 -6.291 3.089 -3.782 1.00 0.00 C ATOM 295 OG1 THR A 24 -5.389 4.201 -3.765 1.00 0.00 O ATOM 296 CG2 THR A 24 -5.889 2.086 -2.711 1.00 0.00 C ATOM 0 H THR A 24 -7.266 0.584 -5.009 1.00 0.00 H new ATOM 0 HA THR A 24 -6.388 3.208 -5.936 1.00 0.00 H new ATOM 0 HB THR A 24 -7.301 3.438 -3.569 1.00 0.00 H new ATOM 0 HG1 THR A 24 -4.612 3.983 -3.209 1.00 0.00 H new ATOM 0 HG21 THR A 24 -5.896 2.573 -1.736 1.00 0.00 H new ATOM 0 HG22 THR A 24 -6.595 1.255 -2.707 1.00 0.00 H new ATOM 0 HG23 THR A 24 -4.888 1.710 -2.922 1.00 0.00 H new ATOM 304 N THR A 25 -3.887 2.449 -5.496 1.00 0.00 N ATOM 305 CA THR A 25 -2.567 1.865 -5.693 1.00 0.00 C ATOM 306 C THR A 25 -1.553 2.459 -4.721 1.00 0.00 C ATOM 307 O THR A 25 -1.243 3.650 -4.783 1.00 0.00 O ATOM 308 CB THR A 25 -2.066 2.080 -7.134 1.00 0.00 C ATOM 309 OG1 THR A 25 -2.176 3.462 -7.490 1.00 0.00 O ATOM 310 CG2 THR A 25 -2.863 1.233 -8.115 1.00 0.00 C ATOM 0 H THR A 25 -3.896 3.468 -5.460 1.00 0.00 H new ATOM 0 HA THR A 25 -2.664 0.796 -5.506 1.00 0.00 H new ATOM 0 HB THR A 25 -1.020 1.776 -7.181 1.00 0.00 H new ATOM 0 HG1 THR A 25 -1.865 4.017 -6.745 1.00 0.00 H new ATOM 0 HG21 THR A 25 -2.492 1.401 -9.126 1.00 0.00 H new ATOM 0 HG22 THR A 25 -2.753 0.179 -7.859 1.00 0.00 H new ATOM 0 HG23 THR A 25 -3.916 1.511 -8.064 1.00 0.00 H new ATOM 318 N LEU A 26 -1.039 1.624 -3.826 1.00 0.00 N ATOM 319 CA LEU A 26 -0.058 2.066 -2.841 1.00 0.00 C ATOM 320 C LEU A 26 1.359 1.942 -3.389 1.00 0.00 C ATOM 321 O LEU A 26 2.025 0.925 -3.191 1.00 0.00 O ATOM 322 CB LEU A 26 -0.193 1.249 -1.555 1.00 0.00 C ATOM 323 CG LEU A 26 -1.601 1.154 -0.964 1.00 0.00 C ATOM 324 CD1 LEU A 26 -1.751 -0.117 -0.143 1.00 0.00 C ATOM 325 CD2 LEU A 26 -1.907 2.379 -0.115 1.00 0.00 C ATOM 0 H LEU A 26 -1.285 0.636 -3.762 1.00 0.00 H new ATOM 0 HA LEU A 26 -0.251 3.116 -2.619 1.00 0.00 H new ATOM 0 HB2 LEU A 26 0.166 0.239 -1.751 1.00 0.00 H new ATOM 0 HB3 LEU A 26 0.467 1.681 -0.803 1.00 0.00 H new ATOM 0 HG LEU A 26 -2.317 1.118 -1.785 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -2.759 -0.167 0.269 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -1.576 -0.984 -0.780 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -1.026 -0.112 0.671 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -2.912 2.294 0.297 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -1.186 2.447 0.699 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -1.842 3.275 -0.732 1.00 0.00 H new ATOM 337 N ASP A 27 1.815 2.982 -4.078 1.00 0.00 N ATOM 338 CA ASP A 27 3.155 2.991 -4.653 1.00 0.00 C ATOM 339 C ASP A 27 4.194 3.378 -3.604 1.00 0.00 C ATOM 340 O ASP A 27 4.264 4.531 -3.181 1.00 0.00 O ATOM 341 CB ASP A 27 3.220 3.959 -5.835 1.00 0.00 C ATOM 342 CG ASP A 27 4.619 4.497 -6.067 1.00 0.00 C ATOM 343 OD1 ASP A 27 5.529 3.685 -6.338 1.00 0.00 O ATOM 344 OD2 ASP A 27 4.803 5.728 -5.978 1.00 0.00 O ATOM 0 H ASP A 27 1.276 3.830 -4.252 1.00 0.00 H new ATOM 0 HA ASP A 27 3.379 1.984 -5.006 1.00 0.00 H new ATOM 0 HB2 ASP A 27 2.875 3.451 -6.736 1.00 0.00 H new ATOM 0 HB3 ASP A 27 2.539 4.791 -5.657 1.00 0.00 H new ATOM 349 N GLY A 28 4.999 2.405 -3.189 1.00 0.00 N ATOM 350 CA GLY A 28 6.022 2.664 -2.192 1.00 0.00 C ATOM 351 C GLY A 28 7.406 2.785 -2.800 1.00 0.00 C ATOM 352 O GLY A 28 8.411 2.602 -2.113 1.00 0.00 O ATOM 0 H GLY A 28 4.961 1.443 -3.525 1.00 0.00 H new ATOM 0 HA2 GLY A 28 5.781 3.584 -1.659 1.00 0.00 H new ATOM 0 HA3 GLY A 28 6.020 1.859 -1.457 1.00 0.00 H new ATOM 356 N SER A 29 7.458 3.093 -4.092 1.00 0.00 N ATOM 357 CA SER A 29 8.729 3.233 -4.793 1.00 0.00 C ATOM 358 C SER A 29 9.400 4.558 -4.443 1.00 0.00 C ATOM 359 O SER A 29 9.837 5.298 -5.324 1.00 0.00 O ATOM 360 CB SER A 29 8.513 3.141 -6.305 1.00 0.00 C ATOM 361 OG SER A 29 9.724 2.837 -6.975 1.00 0.00 O ATOM 0 H SER A 29 6.635 3.250 -4.674 1.00 0.00 H new ATOM 0 HA SER A 29 9.383 2.421 -4.476 1.00 0.00 H new ATOM 0 HB2 SER A 29 7.770 2.374 -6.523 1.00 0.00 H new ATOM 0 HB3 SER A 29 8.115 4.085 -6.677 1.00 0.00 H new ATOM 0 HG SER A 29 10.395 3.519 -6.763 1.00 0.00 H new ATOM 367 N LYS A 30 9.477 4.850 -3.149 1.00 0.00 N ATOM 368 CA LYS A 30 10.095 6.084 -2.679 1.00 0.00 C ATOM 369 C LYS A 30 11.083 5.803 -1.551 1.00 0.00 C ATOM 370 O LYS A 30 11.380 6.680 -0.741 1.00 0.00 O ATOM 371 CB LYS A 30 9.023 7.066 -2.200 1.00 0.00 C ATOM 372 CG LYS A 30 8.085 7.526 -3.302 1.00 0.00 C ATOM 373 CD LYS A 30 8.603 8.778 -3.989 1.00 0.00 C ATOM 374 CE LYS A 30 8.351 10.020 -3.149 1.00 0.00 C ATOM 375 NZ LYS A 30 6.909 10.395 -3.132 1.00 0.00 N ATOM 0 H LYS A 30 9.119 4.249 -2.407 1.00 0.00 H new ATOM 0 HA LYS A 30 10.639 6.528 -3.512 1.00 0.00 H new ATOM 0 HB2 LYS A 30 8.438 6.596 -1.409 1.00 0.00 H new ATOM 0 HB3 LYS A 30 9.510 7.937 -1.761 1.00 0.00 H new ATOM 0 HG2 LYS A 30 7.967 6.729 -4.037 1.00 0.00 H new ATOM 0 HG3 LYS A 30 7.098 7.722 -2.883 1.00 0.00 H new ATOM 0 HD2 LYS A 30 9.672 8.675 -4.177 1.00 0.00 H new ATOM 0 HD3 LYS A 30 8.118 8.889 -4.959 1.00 0.00 H new ATOM 0 HE2 LYS A 30 8.693 9.844 -2.129 1.00 0.00 H new ATOM 0 HE3 LYS A 30 8.938 10.850 -3.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 6.806 11.360 -2.758 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 6.529 10.356 -4.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 6.385 9.731 -2.527 1.00 0.00 H new ATOM 389 N SER A 31 11.588 4.574 -1.505 1.00 0.00 N ATOM 390 CA SER A 31 12.540 4.177 -0.475 1.00 0.00 C ATOM 391 C SER A 31 13.900 4.827 -0.712 1.00 0.00 C ATOM 392 O SER A 31 14.094 5.545 -1.693 1.00 0.00 O ATOM 393 CB SER A 31 12.688 2.654 -0.447 1.00 0.00 C ATOM 394 OG SER A 31 13.562 2.246 0.591 1.00 0.00 O ATOM 0 H SER A 31 11.353 3.836 -2.169 1.00 0.00 H new ATOM 0 HA SER A 31 12.158 4.516 0.488 1.00 0.00 H new ATOM 0 HB2 SER A 31 11.710 2.193 -0.306 1.00 0.00 H new ATOM 0 HB3 SER A 31 13.070 2.305 -1.406 1.00 0.00 H new ATOM 0 HG SER A 31 13.037 1.968 1.371 1.00 0.00 H new ATOM 400 N SER A 32 14.837 4.570 0.195 1.00 0.00 N ATOM 401 CA SER A 32 16.178 5.132 0.088 1.00 0.00 C ATOM 402 C SER A 32 16.622 5.206 -1.370 1.00 0.00 C ATOM 403 O SER A 32 16.906 4.185 -1.997 1.00 0.00 O ATOM 404 CB SER A 32 17.172 4.293 0.893 1.00 0.00 C ATOM 405 OG SER A 32 18.240 5.090 1.376 1.00 0.00 O ATOM 0 H SER A 32 14.692 3.976 1.012 1.00 0.00 H new ATOM 0 HA SER A 32 16.154 6.143 0.494 1.00 0.00 H new ATOM 0 HB2 SER A 32 16.659 3.821 1.731 1.00 0.00 H new ATOM 0 HB3 SER A 32 17.566 3.492 0.268 1.00 0.00 H new ATOM 0 HG SER A 32 18.860 4.530 1.888 1.00 0.00 H new ATOM 411 N ASP A 33 16.679 6.422 -1.903 1.00 0.00 N ATOM 412 CA ASP A 33 17.088 6.631 -3.287 1.00 0.00 C ATOM 413 C ASP A 33 18.576 6.342 -3.463 1.00 0.00 C ATOM 414 O ASP A 33 19.022 5.971 -4.549 1.00 0.00 O ATOM 415 CB ASP A 33 16.780 8.065 -3.722 1.00 0.00 C ATOM 416 CG ASP A 33 17.292 9.092 -2.732 1.00 0.00 C ATOM 417 OD1 ASP A 33 17.159 8.860 -1.512 1.00 0.00 O ATOM 418 OD2 ASP A 33 17.827 10.129 -3.177 1.00 0.00 O ATOM 0 H ASP A 33 16.447 7.277 -1.398 1.00 0.00 H new ATOM 0 HA ASP A 33 16.525 5.940 -3.915 1.00 0.00 H new ATOM 0 HB2 ASP A 33 17.229 8.250 -4.698 1.00 0.00 H new ATOM 0 HB3 ASP A 33 15.703 8.183 -3.839 1.00 0.00 H new ATOM 423 N ASP A 34 19.338 6.515 -2.389 1.00 0.00 N ATOM 424 CA ASP A 34 20.776 6.272 -2.425 1.00 0.00 C ATOM 425 C ASP A 34 21.075 4.776 -2.429 1.00 0.00 C ATOM 426 O ASP A 34 21.784 4.279 -3.303 1.00 0.00 O ATOM 427 CB ASP A 34 21.456 6.937 -1.227 1.00 0.00 C ATOM 428 CG ASP A 34 22.874 6.442 -1.019 1.00 0.00 C ATOM 429 OD1 ASP A 34 23.479 5.947 -1.993 1.00 0.00 O ATOM 430 OD2 ASP A 34 23.379 6.551 0.118 1.00 0.00 O ATOM 0 H ASP A 34 18.985 6.822 -1.483 1.00 0.00 H new ATOM 0 HA ASP A 34 21.170 6.705 -3.344 1.00 0.00 H new ATOM 0 HB2 ASP A 34 21.469 8.017 -1.373 1.00 0.00 H new ATOM 0 HB3 ASP A 34 20.871 6.744 -0.328 1.00 0.00 H new ATOM 435 N GLN A 35 20.529 4.066 -1.447 1.00 0.00 N ATOM 436 CA GLN A 35 20.740 2.627 -1.338 1.00 0.00 C ATOM 437 C GLN A 35 19.515 1.859 -1.825 1.00 0.00 C ATOM 438 O GLN A 35 18.632 1.514 -1.039 1.00 0.00 O ATOM 439 CB GLN A 35 21.054 2.245 0.109 1.00 0.00 C ATOM 440 CG GLN A 35 22.503 2.488 0.501 1.00 0.00 C ATOM 441 CD GLN A 35 22.809 2.032 1.914 1.00 0.00 C ATOM 442 OE1 GLN A 35 23.234 2.823 2.756 1.00 0.00 O ATOM 443 NE2 GLN A 35 22.595 0.748 2.182 1.00 0.00 N ATOM 0 H GLN A 35 19.938 4.463 -0.716 1.00 0.00 H new ATOM 0 HA GLN A 35 21.588 2.360 -1.969 1.00 0.00 H new ATOM 0 HB2 GLN A 35 20.406 2.814 0.775 1.00 0.00 H new ATOM 0 HB3 GLN A 35 20.818 1.191 0.257 1.00 0.00 H new ATOM 0 HG2 GLN A 35 23.157 1.963 -0.196 1.00 0.00 H new ATOM 0 HG3 GLN A 35 22.727 3.551 0.410 1.00 0.00 H new ATOM 0 HE21 GLN A 35 22.242 0.127 1.454 1.00 0.00 H new ATOM 0 HE22 GLN A 35 22.784 0.384 3.116 1.00 0.00 H new ATOM 452 N LYS A 36 19.467 1.595 -3.126 1.00 0.00 N ATOM 453 CA LYS A 36 18.351 0.867 -3.719 1.00 0.00 C ATOM 454 C LYS A 36 18.136 -0.468 -3.013 1.00 0.00 C ATOM 455 O LYS A 36 19.091 -1.194 -2.734 1.00 0.00 O ATOM 456 CB LYS A 36 18.602 0.634 -5.210 1.00 0.00 C ATOM 457 CG LYS A 36 19.885 -0.126 -5.499 1.00 0.00 C ATOM 458 CD LYS A 36 20.243 -0.075 -6.975 1.00 0.00 C ATOM 459 CE LYS A 36 21.423 -0.981 -7.294 1.00 0.00 C ATOM 460 NZ LYS A 36 21.002 -2.398 -7.472 1.00 0.00 N ATOM 0 H LYS A 36 20.188 1.874 -3.791 1.00 0.00 H new ATOM 0 HA LYS A 36 17.451 1.470 -3.599 1.00 0.00 H new ATOM 0 HB2 LYS A 36 17.761 0.083 -5.630 1.00 0.00 H new ATOM 0 HB3 LYS A 36 18.638 1.597 -5.719 1.00 0.00 H new ATOM 0 HG2 LYS A 36 20.700 0.297 -4.911 1.00 0.00 H new ATOM 0 HG3 LYS A 36 19.772 -1.164 -5.187 1.00 0.00 H new ATOM 0 HD2 LYS A 36 19.381 -0.376 -7.570 1.00 0.00 H new ATOM 0 HD3 LYS A 36 20.483 0.950 -7.257 1.00 0.00 H new ATOM 0 HE2 LYS A 36 21.914 -0.631 -8.202 1.00 0.00 H new ATOM 0 HE3 LYS A 36 22.157 -0.918 -6.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 21.834 -2.983 -7.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 20.556 -2.740 -6.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 20.321 -2.462 -8.256 1.00 0.00 H new ATOM 474 N ILE A 37 16.878 -0.786 -2.729 1.00 0.00 N ATOM 475 CA ILE A 37 16.539 -2.035 -2.059 1.00 0.00 C ATOM 476 C ILE A 37 16.317 -3.157 -3.067 1.00 0.00 C ATOM 477 O ILE A 37 16.248 -2.917 -4.273 1.00 0.00 O ATOM 478 CB ILE A 37 15.276 -1.884 -1.190 1.00 0.00 C ATOM 479 CG1 ILE A 37 14.095 -1.421 -2.045 1.00 0.00 C ATOM 480 CG2 ILE A 37 15.530 -0.905 -0.054 1.00 0.00 C ATOM 481 CD1 ILE A 37 12.755 -1.583 -1.363 1.00 0.00 C ATOM 0 H ILE A 37 16.077 -0.196 -2.952 1.00 0.00 H new ATOM 0 HA ILE A 37 17.383 -2.287 -1.418 1.00 0.00 H new ATOM 0 HB ILE A 37 15.030 -2.855 -0.760 1.00 0.00 H new ATOM 0 HG12 ILE A 37 14.236 -0.372 -2.307 1.00 0.00 H new ATOM 0 HG13 ILE A 37 14.089 -1.985 -2.978 1.00 0.00 H new ATOM 0 HG21 ILE A 37 14.629 -0.808 0.551 1.00 0.00 H new ATOM 0 HG22 ILE A 37 16.347 -1.272 0.567 1.00 0.00 H new ATOM 0 HG23 ILE A 37 15.797 0.069 -0.465 1.00 0.00 H new ATOM 0 HD11 ILE A 37 11.964 -1.235 -2.027 1.00 0.00 H new ATOM 0 HD12 ILE A 37 12.592 -2.634 -1.125 1.00 0.00 H new ATOM 0 HD13 ILE A 37 12.741 -0.997 -0.444 1.00 0.00 H new ATOM 493 N ILE A 38 16.204 -4.383 -2.565 1.00 0.00 N ATOM 494 CA ILE A 38 15.987 -5.541 -3.422 1.00 0.00 C ATOM 495 C ILE A 38 14.888 -6.440 -2.864 1.00 0.00 C ATOM 496 O ILE A 38 14.999 -7.665 -2.894 1.00 0.00 O ATOM 497 CB ILE A 38 17.275 -6.368 -3.589 1.00 0.00 C ATOM 498 CG1 ILE A 38 17.795 -6.824 -2.224 1.00 0.00 C ATOM 499 CG2 ILE A 38 18.334 -5.558 -4.321 1.00 0.00 C ATOM 500 CD1 ILE A 38 18.697 -8.036 -2.294 1.00 0.00 C ATOM 0 H ILE A 38 16.259 -4.599 -1.570 1.00 0.00 H new ATOM 0 HA ILE A 38 15.682 -5.159 -4.396 1.00 0.00 H new ATOM 0 HB ILE A 38 17.046 -7.252 -4.184 1.00 0.00 H new ATOM 0 HG12 ILE A 38 18.340 -6.002 -1.759 1.00 0.00 H new ATOM 0 HG13 ILE A 38 16.946 -7.050 -1.578 1.00 0.00 H new ATOM 0 HG21 ILE A 38 19.238 -6.157 -4.431 1.00 0.00 H new ATOM 0 HG22 ILE A 38 17.962 -5.279 -5.307 1.00 0.00 H new ATOM 0 HG23 ILE A 38 18.562 -4.658 -3.751 1.00 0.00 H new ATOM 0 HD11 ILE A 38 19.027 -8.302 -1.290 1.00 0.00 H new ATOM 0 HD12 ILE A 38 18.150 -8.872 -2.729 1.00 0.00 H new ATOM 0 HD13 ILE A 38 19.565 -7.808 -2.913 1.00 0.00 H new ATOM 512 N SER A 39 13.827 -5.821 -2.355 1.00 0.00 N ATOM 513 CA SER A 39 12.709 -6.565 -1.787 1.00 0.00 C ATOM 514 C SER A 39 11.465 -5.686 -1.692 1.00 0.00 C ATOM 515 O SER A 39 11.533 -4.541 -1.246 1.00 0.00 O ATOM 516 CB SER A 39 13.075 -7.101 -0.402 1.00 0.00 C ATOM 517 OG SER A 39 13.649 -8.394 -0.491 1.00 0.00 O ATOM 0 H SER A 39 13.718 -4.807 -2.324 1.00 0.00 H new ATOM 0 HA SER A 39 12.491 -7.405 -2.447 1.00 0.00 H new ATOM 0 HB2 SER A 39 13.776 -6.421 0.081 1.00 0.00 H new ATOM 0 HB3 SER A 39 12.184 -7.138 0.224 1.00 0.00 H new ATOM 0 HG SER A 39 14.213 -8.447 -1.291 1.00 0.00 H new ATOM 523 N TYR A 40 10.330 -6.231 -2.115 1.00 0.00 N ATOM 524 CA TYR A 40 9.070 -5.497 -2.081 1.00 0.00 C ATOM 525 C TYR A 40 7.898 -6.440 -1.829 1.00 0.00 C ATOM 526 O TYR A 40 7.673 -7.387 -2.584 1.00 0.00 O ATOM 527 CB TYR A 40 8.860 -4.742 -3.394 1.00 0.00 C ATOM 528 CG TYR A 40 9.822 -3.593 -3.594 1.00 0.00 C ATOM 529 CD1 TYR A 40 9.654 -2.395 -2.910 1.00 0.00 C ATOM 530 CD2 TYR A 40 10.898 -3.705 -4.465 1.00 0.00 C ATOM 531 CE1 TYR A 40 10.530 -1.342 -3.089 1.00 0.00 C ATOM 532 CE2 TYR A 40 11.779 -2.657 -4.650 1.00 0.00 C ATOM 533 CZ TYR A 40 11.591 -1.478 -3.959 1.00 0.00 C ATOM 534 OH TYR A 40 12.466 -0.432 -4.141 1.00 0.00 O ATOM 0 H TYR A 40 10.256 -7.178 -2.485 1.00 0.00 H new ATOM 0 HA TYR A 40 9.118 -4.780 -1.262 1.00 0.00 H new ATOM 0 HB2 TYR A 40 8.963 -5.440 -4.225 1.00 0.00 H new ATOM 0 HB3 TYR A 40 7.840 -4.360 -3.424 1.00 0.00 H new ATOM 0 HD1 TYR A 40 8.825 -2.285 -2.227 1.00 0.00 H new ATOM 0 HD2 TYR A 40 11.049 -4.627 -5.007 1.00 0.00 H new ATOM 0 HE1 TYR A 40 10.385 -0.417 -2.550 1.00 0.00 H new ATOM 0 HE2 TYR A 40 12.610 -2.760 -5.332 1.00 0.00 H new ATOM 0 HH TYR A 40 13.157 -0.692 -4.785 1.00 0.00 H new ATOM 544 N LEU A 41 7.152 -6.173 -0.762 1.00 0.00 N ATOM 545 CA LEU A 41 6.000 -6.996 -0.409 1.00 0.00 C ATOM 546 C LEU A 41 4.823 -6.128 0.024 1.00 0.00 C ATOM 547 O LEU A 41 5.008 -5.067 0.620 1.00 0.00 O ATOM 548 CB LEU A 41 6.369 -7.971 0.711 1.00 0.00 C ATOM 549 CG LEU A 41 5.322 -9.033 1.048 1.00 0.00 C ATOM 550 CD1 LEU A 41 5.285 -10.107 -0.027 1.00 0.00 C ATOM 551 CD2 LEU A 41 5.607 -9.649 2.410 1.00 0.00 C ATOM 0 H LEU A 41 7.324 -5.394 -0.127 1.00 0.00 H new ATOM 0 HA LEU A 41 5.704 -7.562 -1.292 1.00 0.00 H new ATOM 0 HB2 LEU A 41 7.294 -8.477 0.435 1.00 0.00 H new ATOM 0 HB3 LEU A 41 6.577 -7.395 1.613 1.00 0.00 H new ATOM 0 HG LEU A 41 4.344 -8.552 1.086 1.00 0.00 H new ATOM 0 HD11 LEU A 41 4.534 -10.854 0.231 1.00 0.00 H new ATOM 0 HD12 LEU A 41 5.032 -9.654 -0.986 1.00 0.00 H new ATOM 0 HD13 LEU A 41 6.262 -10.585 -0.098 1.00 0.00 H new ATOM 0 HD21 LEU A 41 4.852 -10.403 2.634 1.00 0.00 H new ATOM 0 HD22 LEU A 41 6.593 -10.114 2.400 1.00 0.00 H new ATOM 0 HD23 LEU A 41 5.581 -8.872 3.174 1.00 0.00 H new ATOM 563 N TRP A 42 3.614 -6.587 -0.277 1.00 0.00 N ATOM 564 CA TRP A 42 2.406 -5.854 0.083 1.00 0.00 C ATOM 565 C TRP A 42 1.323 -6.801 0.587 1.00 0.00 C ATOM 566 O TRP A 42 0.911 -7.719 -0.121 1.00 0.00 O ATOM 567 CB TRP A 42 1.888 -5.061 -1.119 1.00 0.00 C ATOM 568 CG TRP A 42 2.633 -3.782 -1.352 1.00 0.00 C ATOM 569 CD1 TRP A 42 3.672 -3.584 -2.216 1.00 0.00 C ATOM 570 CD2 TRP A 42 2.397 -2.524 -0.710 1.00 0.00 C ATOM 571 NE1 TRP A 42 4.096 -2.279 -2.150 1.00 0.00 N ATOM 572 CE2 TRP A 42 3.330 -1.607 -1.235 1.00 0.00 C ATOM 573 CE3 TRP A 42 1.488 -2.081 0.254 1.00 0.00 C ATOM 574 CZ2 TRP A 42 3.378 -0.277 -0.825 1.00 0.00 C ATOM 575 CZ3 TRP A 42 1.536 -0.761 0.660 1.00 0.00 C ATOM 576 CH2 TRP A 42 2.475 0.128 0.121 1.00 0.00 C ATOM 0 H TRP A 42 3.444 -7.464 -0.770 1.00 0.00 H new ATOM 0 HA TRP A 42 2.658 -5.161 0.886 1.00 0.00 H new ATOM 0 HB2 TRP A 42 1.958 -5.682 -2.012 1.00 0.00 H new ATOM 0 HB3 TRP A 42 0.832 -4.836 -0.969 1.00 0.00 H new ATOM 0 HD1 TRP A 42 4.098 -4.342 -2.857 1.00 0.00 H new ATOM 0 HE1 TRP A 42 4.858 -1.876 -2.695 1.00 0.00 H new ATOM 0 HE3 TRP A 42 0.760 -2.759 0.675 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 4.101 0.410 -1.238 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 0.838 -0.409 1.405 1.00 0.00 H new ATOM 0 HH2 TRP A 42 2.487 1.154 0.459 1.00 0.00 H new ATOM 587 N GLU A 43 0.867 -6.572 1.814 1.00 0.00 N ATOM 588 CA GLU A 43 -0.168 -7.408 2.412 1.00 0.00 C ATOM 589 C GLU A 43 -0.989 -6.615 3.426 1.00 0.00 C ATOM 590 O GLU A 43 -0.471 -5.727 4.103 1.00 0.00 O ATOM 591 CB GLU A 43 0.458 -8.628 3.089 1.00 0.00 C ATOM 592 CG GLU A 43 1.155 -9.570 2.121 1.00 0.00 C ATOM 593 CD GLU A 43 1.604 -10.859 2.783 1.00 0.00 C ATOM 594 OE1 GLU A 43 2.158 -10.791 3.899 1.00 0.00 O ATOM 595 OE2 GLU A 43 1.401 -11.935 2.183 1.00 0.00 O ATOM 0 H GLU A 43 1.197 -5.816 2.413 1.00 0.00 H new ATOM 0 HA GLU A 43 -0.832 -7.745 1.616 1.00 0.00 H new ATOM 0 HB2 GLU A 43 1.177 -8.290 3.835 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -0.319 -9.177 3.621 1.00 0.00 H new ATOM 0 HG2 GLU A 43 0.480 -9.805 1.298 1.00 0.00 H new ATOM 0 HG3 GLU A 43 2.020 -9.067 1.690 1.00 0.00 H new ATOM 602 N LYS A 44 -2.273 -6.943 3.525 1.00 0.00 N ATOM 603 CA LYS A 44 -3.167 -6.265 4.455 1.00 0.00 C ATOM 604 C LYS A 44 -3.033 -6.845 5.859 1.00 0.00 C ATOM 605 O LYS A 44 -3.309 -8.024 6.084 1.00 0.00 O ATOM 606 CB LYS A 44 -4.617 -6.382 3.979 1.00 0.00 C ATOM 607 CG LYS A 44 -5.580 -5.485 4.736 1.00 0.00 C ATOM 608 CD LYS A 44 -6.979 -6.077 4.777 1.00 0.00 C ATOM 609 CE LYS A 44 -7.496 -6.380 3.379 1.00 0.00 C ATOM 610 NZ LYS A 44 -8.505 -7.476 3.387 1.00 0.00 N ATOM 0 H LYS A 44 -2.718 -7.675 2.972 1.00 0.00 H new ATOM 0 HA LYS A 44 -2.886 -5.212 4.488 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -4.663 -6.137 2.918 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -4.942 -7.418 4.081 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -5.217 -5.336 5.753 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -5.613 -4.504 4.263 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -6.971 -6.992 5.370 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -7.655 -5.381 5.274 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -7.940 -5.480 2.953 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -6.662 -6.659 2.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -8.486 -7.972 2.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -8.282 -8.147 4.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -9.452 -7.075 3.544 1.00 0.00 H new ATOM 624 N THR A 45 -2.609 -6.010 6.803 1.00 0.00 N ATOM 625 CA THR A 45 -2.440 -6.440 8.185 1.00 0.00 C ATOM 626 C THR A 45 -3.758 -6.371 8.948 1.00 0.00 C ATOM 627 O THR A 45 -4.054 -7.236 9.771 1.00 0.00 O ATOM 628 CB THR A 45 -1.391 -5.580 8.916 1.00 0.00 C ATOM 629 OG1 THR A 45 -1.413 -4.242 8.407 1.00 0.00 O ATOM 630 CG2 THR A 45 0.002 -6.169 8.749 1.00 0.00 C ATOM 0 H THR A 45 -2.376 -5.031 6.635 1.00 0.00 H new ATOM 0 HA THR A 45 -2.095 -7.474 8.155 1.00 0.00 H new ATOM 0 HB THR A 45 -1.639 -5.568 9.977 1.00 0.00 H new ATOM 0 HG1 THR A 45 -2.293 -4.054 8.019 1.00 0.00 H new ATOM 0 HG21 THR A 45 0.726 -5.545 9.273 1.00 0.00 H new ATOM 0 HG22 THR A 45 0.023 -7.177 9.164 1.00 0.00 H new ATOM 0 HG23 THR A 45 0.256 -6.208 7.690 1.00 0.00 H new ATOM 638 N GLN A 46 -4.544 -5.337 8.668 1.00 0.00 N ATOM 639 CA GLN A 46 -5.831 -5.156 9.329 1.00 0.00 C ATOM 640 C GLN A 46 -6.917 -4.800 8.319 1.00 0.00 C ATOM 641 O GLN A 46 -6.625 -4.433 7.182 1.00 0.00 O ATOM 642 CB GLN A 46 -5.732 -4.064 10.396 1.00 0.00 C ATOM 643 CG GLN A 46 -5.358 -4.589 11.772 1.00 0.00 C ATOM 644 CD GLN A 46 -4.980 -3.482 12.737 1.00 0.00 C ATOM 645 OE1 GLN A 46 -3.831 -3.387 13.171 1.00 0.00 O ATOM 646 NE2 GLN A 46 -5.946 -2.638 13.077 1.00 0.00 N ATOM 0 H GLN A 46 -4.313 -4.612 7.989 1.00 0.00 H new ATOM 0 HA GLN A 46 -6.100 -6.098 9.807 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -4.991 -3.329 10.083 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -6.688 -3.545 10.462 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -6.196 -5.152 12.182 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -4.523 -5.284 11.677 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -6.884 -2.755 12.693 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -5.751 -1.873 13.722 1.00 0.00 H new ATOM 655 N GLY A 47 -8.173 -4.911 8.743 1.00 0.00 N ATOM 656 CA GLY A 47 -9.283 -4.598 7.863 1.00 0.00 C ATOM 657 C GLY A 47 -10.078 -5.828 7.472 1.00 0.00 C ATOM 658 O GLY A 47 -9.663 -6.963 7.709 1.00 0.00 O ATOM 0 H GLY A 47 -8.441 -5.212 9.680 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -9.943 -3.884 8.356 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -8.904 -4.113 6.963 1.00 0.00 H new ATOM 662 N PRO A 48 -11.250 -5.609 6.858 1.00 0.00 N ATOM 663 CA PRO A 48 -12.130 -6.697 6.421 1.00 0.00 C ATOM 664 C PRO A 48 -11.549 -7.477 5.246 1.00 0.00 C ATOM 665 O PRO A 48 -11.257 -6.907 4.195 1.00 0.00 O ATOM 666 CB PRO A 48 -13.410 -5.971 6.000 1.00 0.00 C ATOM 667 CG PRO A 48 -12.964 -4.598 5.635 1.00 0.00 C ATOM 668 CD PRO A 48 -11.807 -4.283 6.543 1.00 0.00 C ATOM 0 HA PRO A 48 -12.282 -7.438 7.206 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -13.889 -6.469 5.157 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -14.137 -5.948 6.811 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -12.663 -4.551 4.589 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -13.771 -3.877 5.767 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -11.073 -3.645 6.051 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -12.133 -3.760 7.442 1.00 0.00 H new ATOM 676 N ASP A 49 -11.384 -8.782 5.432 1.00 0.00 N ATOM 677 CA ASP A 49 -10.838 -9.640 4.386 1.00 0.00 C ATOM 678 C ASP A 49 -11.791 -9.720 3.198 1.00 0.00 C ATOM 679 O ASP A 49 -12.951 -10.105 3.344 1.00 0.00 O ATOM 680 CB ASP A 49 -10.569 -11.041 4.936 1.00 0.00 C ATOM 681 CG ASP A 49 -11.813 -11.684 5.516 1.00 0.00 C ATOM 682 OD1 ASP A 49 -12.695 -10.943 5.998 1.00 0.00 O ATOM 683 OD2 ASP A 49 -11.905 -12.930 5.490 1.00 0.00 O ATOM 0 H ASP A 49 -11.620 -9.269 6.297 1.00 0.00 H new ATOM 0 HA ASP A 49 -9.898 -9.205 4.046 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -10.176 -11.672 4.139 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -9.800 -10.984 5.706 1.00 0.00 H new ATOM 688 N GLY A 50 -11.293 -9.354 2.020 1.00 0.00 N ATOM 689 CA GLY A 50 -12.114 -9.391 0.824 1.00 0.00 C ATOM 690 C GLY A 50 -11.432 -8.747 -0.367 1.00 0.00 C ATOM 691 O GLY A 50 -11.497 -9.263 -1.483 1.00 0.00 O ATOM 0 H GLY A 50 -10.336 -9.033 1.873 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -12.355 -10.427 0.584 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -13.057 -8.881 1.019 1.00 0.00 H new ATOM 695 N VAL A 51 -10.776 -7.615 -0.131 1.00 0.00 N ATOM 696 CA VAL A 51 -10.080 -6.900 -1.193 1.00 0.00 C ATOM 697 C VAL A 51 -9.071 -7.803 -1.895 1.00 0.00 C ATOM 698 O VAL A 51 -8.672 -8.836 -1.359 1.00 0.00 O ATOM 699 CB VAL A 51 -9.349 -5.658 -0.648 1.00 0.00 C ATOM 700 CG1 VAL A 51 -10.312 -4.767 0.121 1.00 0.00 C ATOM 701 CG2 VAL A 51 -8.177 -6.073 0.228 1.00 0.00 C ATOM 0 H VAL A 51 -10.712 -7.174 0.786 1.00 0.00 H new ATOM 0 HA VAL A 51 -10.838 -6.582 -1.909 1.00 0.00 H new ATOM 0 HB VAL A 51 -8.959 -5.087 -1.491 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -9.778 -3.895 0.499 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -11.115 -4.443 -0.541 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -10.734 -5.324 0.957 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -7.672 -5.184 0.605 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -8.542 -6.666 1.067 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -7.477 -6.667 -0.359 1.00 0.00 H new ATOM 711 N GLN A 52 -8.663 -7.404 -3.095 1.00 0.00 N ATOM 712 CA GLN A 52 -7.700 -8.178 -3.870 1.00 0.00 C ATOM 713 C GLN A 52 -6.460 -7.348 -4.182 1.00 0.00 C ATOM 714 O GLN A 52 -6.551 -6.282 -4.794 1.00 0.00 O ATOM 715 CB GLN A 52 -8.339 -8.672 -5.169 1.00 0.00 C ATOM 716 CG GLN A 52 -9.178 -9.928 -4.996 1.00 0.00 C ATOM 717 CD GLN A 52 -10.037 -10.228 -6.208 1.00 0.00 C ATOM 718 OE1 GLN A 52 -9.965 -9.532 -7.221 1.00 0.00 O ATOM 719 NE2 GLN A 52 -10.855 -11.269 -6.111 1.00 0.00 N ATOM 0 H GLN A 52 -8.984 -6.550 -3.552 1.00 0.00 H new ATOM 0 HA GLN A 52 -7.397 -9.038 -3.273 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -8.966 -7.880 -5.580 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -7.553 -8.868 -5.899 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -8.521 -10.776 -4.803 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -9.818 -9.815 -4.121 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -10.882 -11.818 -5.252 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -11.457 -11.520 -6.896 1.00 0.00 H new ATOM 728 N LEU A 53 -5.301 -7.841 -3.759 1.00 0.00 N ATOM 729 CA LEU A 53 -4.041 -7.145 -3.994 1.00 0.00 C ATOM 730 C LEU A 53 -3.335 -7.697 -5.228 1.00 0.00 C ATOM 731 O LEU A 53 -3.161 -8.907 -5.364 1.00 0.00 O ATOM 732 CB LEU A 53 -3.130 -7.272 -2.771 1.00 0.00 C ATOM 733 CG LEU A 53 -3.240 -6.154 -1.733 1.00 0.00 C ATOM 734 CD1 LEU A 53 -2.958 -6.691 -0.339 1.00 0.00 C ATOM 735 CD2 LEU A 53 -2.287 -5.017 -2.072 1.00 0.00 C ATOM 0 H LEU A 53 -5.208 -8.721 -3.251 1.00 0.00 H new ATOM 0 HA LEU A 53 -4.263 -6.092 -4.167 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -3.346 -8.220 -2.279 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -2.097 -7.320 -3.116 1.00 0.00 H new ATOM 0 HG LEU A 53 -4.258 -5.766 -1.751 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -3.041 -5.882 0.386 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -3.680 -7.471 -0.097 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -1.951 -7.106 -0.306 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -2.378 -4.230 -1.323 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -1.263 -5.391 -2.082 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -2.536 -4.614 -3.054 1.00 0.00 H new ATOM 747 N GLU A 54 -2.930 -6.801 -6.122 1.00 0.00 N ATOM 748 CA GLU A 54 -2.241 -7.199 -7.344 1.00 0.00 C ATOM 749 C GLU A 54 -0.808 -6.675 -7.357 1.00 0.00 C ATOM 750 O GLU A 54 -0.545 -5.549 -6.939 1.00 0.00 O ATOM 751 CB GLU A 54 -2.996 -6.685 -8.572 1.00 0.00 C ATOM 752 CG GLU A 54 -4.202 -7.530 -8.944 1.00 0.00 C ATOM 753 CD GLU A 54 -5.452 -7.127 -8.186 1.00 0.00 C ATOM 754 OE1 GLU A 54 -5.553 -5.946 -7.792 1.00 0.00 O ATOM 755 OE2 GLU A 54 -6.330 -7.993 -7.988 1.00 0.00 O ATOM 0 H GLU A 54 -3.067 -5.795 -6.023 1.00 0.00 H new ATOM 0 HA GLU A 54 -2.210 -8.288 -7.375 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -3.324 -5.662 -8.385 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -2.312 -6.650 -9.420 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -4.386 -7.442 -10.015 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -3.982 -8.579 -8.744 1.00 0.00 H new ATOM 762 N ASN A 55 0.114 -7.502 -7.839 1.00 0.00 N ATOM 763 CA ASN A 55 1.520 -7.123 -7.906 1.00 0.00 C ATOM 764 C ASN A 55 2.061 -6.794 -6.518 1.00 0.00 C ATOM 765 O ASN A 55 2.820 -5.840 -6.346 1.00 0.00 O ATOM 766 CB ASN A 55 1.703 -5.921 -8.835 1.00 0.00 C ATOM 767 CG ASN A 55 1.948 -6.334 -10.273 1.00 0.00 C ATOM 768 OD1 ASN A 55 2.968 -6.946 -10.590 1.00 0.00 O ATOM 769 ND2 ASN A 55 1.011 -5.999 -11.152 1.00 0.00 N ATOM 0 H ASN A 55 -0.088 -8.439 -8.189 1.00 0.00 H new ATOM 0 HA ASN A 55 2.080 -7.969 -8.304 1.00 0.00 H new ATOM 0 HB2 ASN A 55 0.816 -5.290 -8.787 1.00 0.00 H new ATOM 0 HB3 ASN A 55 2.541 -5.319 -8.485 1.00 0.00 H new ATOM 0 HD21 ASN A 55 1.121 -6.249 -12.135 1.00 0.00 H new ATOM 0 HD22 ASN A 55 0.181 -5.492 -10.845 1.00 0.00 H new ATOM 776 N ALA A 56 1.666 -7.592 -5.530 1.00 0.00 N ATOM 777 CA ALA A 56 2.113 -7.387 -4.158 1.00 0.00 C ATOM 778 C ALA A 56 3.620 -7.590 -4.036 1.00 0.00 C ATOM 779 O ALA A 56 4.224 -7.230 -3.026 1.00 0.00 O ATOM 780 CB ALA A 56 1.374 -8.327 -3.217 1.00 0.00 C ATOM 0 H ALA A 56 1.038 -8.386 -5.655 1.00 0.00 H new ATOM 0 HA ALA A 56 1.887 -6.358 -3.878 1.00 0.00 H new ATOM 0 HB1 ALA A 56 1.717 -8.163 -2.196 1.00 0.00 H new ATOM 0 HB2 ALA A 56 0.303 -8.132 -3.275 1.00 0.00 H new ATOM 0 HB3 ALA A 56 1.571 -9.360 -3.505 1.00 0.00 H new ATOM 786 N ASN A 57 4.220 -8.170 -5.070 1.00 0.00 N ATOM 787 CA ASN A 57 5.657 -8.422 -5.077 1.00 0.00 C ATOM 788 C ASN A 57 6.411 -7.255 -5.707 1.00 0.00 C ATOM 789 O ASN A 57 7.555 -7.401 -6.135 1.00 0.00 O ATOM 790 CB ASN A 57 5.965 -9.714 -5.837 1.00 0.00 C ATOM 791 CG ASN A 57 5.156 -10.891 -5.329 1.00 0.00 C ATOM 792 OD1 ASN A 57 4.492 -11.582 -6.103 1.00 0.00 O ATOM 793 ND2 ASN A 57 5.206 -11.124 -4.023 1.00 0.00 N ATOM 0 H ASN A 57 3.734 -8.474 -5.914 1.00 0.00 H new ATOM 0 HA ASN A 57 5.988 -8.529 -4.044 1.00 0.00 H new ATOM 0 HB2 ASN A 57 5.760 -9.566 -6.897 1.00 0.00 H new ATOM 0 HB3 ASN A 57 7.027 -9.941 -5.747 1.00 0.00 H new ATOM 0 HD21 ASN A 57 4.681 -11.902 -3.623 1.00 0.00 H new ATOM 0 HD22 ASN A 57 5.770 -10.525 -3.419 1.00 0.00 H new ATOM 800 N SER A 58 5.761 -6.097 -5.760 1.00 0.00 N ATOM 801 CA SER A 58 6.368 -4.905 -6.340 1.00 0.00 C ATOM 802 C SER A 58 6.253 -3.718 -5.389 1.00 0.00 C ATOM 803 O SER A 58 5.416 -3.711 -4.486 1.00 0.00 O ATOM 804 CB SER A 58 5.704 -4.568 -7.677 1.00 0.00 C ATOM 805 OG SER A 58 6.313 -5.278 -8.742 1.00 0.00 O ATOM 0 H SER A 58 4.814 -5.959 -5.408 1.00 0.00 H new ATOM 0 HA SER A 58 7.425 -5.111 -6.509 1.00 0.00 H new ATOM 0 HB2 SER A 58 4.643 -4.814 -7.632 1.00 0.00 H new ATOM 0 HB3 SER A 58 5.776 -3.496 -7.862 1.00 0.00 H new ATOM 0 HG SER A 58 5.870 -5.047 -9.585 1.00 0.00 H new ATOM 811 N SER A 59 7.099 -2.715 -5.598 1.00 0.00 N ATOM 812 CA SER A 59 7.096 -1.524 -4.758 1.00 0.00 C ATOM 813 C SER A 59 5.703 -0.905 -4.698 1.00 0.00 C ATOM 814 O SER A 59 5.339 -0.261 -3.714 1.00 0.00 O ATOM 815 CB SER A 59 8.100 -0.498 -5.287 1.00 0.00 C ATOM 816 OG SER A 59 8.581 0.331 -4.243 1.00 0.00 O ATOM 0 H SER A 59 7.796 -2.704 -6.343 1.00 0.00 H new ATOM 0 HA SER A 59 7.387 -1.820 -3.750 1.00 0.00 H new ATOM 0 HB2 SER A 59 8.936 -1.013 -5.761 1.00 0.00 H new ATOM 0 HB3 SER A 59 7.628 0.115 -6.054 1.00 0.00 H new ATOM 0 HG SER A 59 9.459 0.010 -3.949 1.00 0.00 H new ATOM 822 N VAL A 60 4.927 -1.105 -5.758 1.00 0.00 N ATOM 823 CA VAL A 60 3.573 -0.569 -5.828 1.00 0.00 C ATOM 824 C VAL A 60 2.552 -1.680 -6.039 1.00 0.00 C ATOM 825 O VAL A 60 2.722 -2.537 -6.906 1.00 0.00 O ATOM 826 CB VAL A 60 3.436 0.462 -6.963 1.00 0.00 C ATOM 827 CG1 VAL A 60 3.869 -0.143 -8.290 1.00 0.00 C ATOM 828 CG2 VAL A 60 2.007 0.978 -7.044 1.00 0.00 C ATOM 0 H VAL A 60 5.213 -1.635 -6.581 1.00 0.00 H new ATOM 0 HA VAL A 60 3.378 -0.077 -4.875 1.00 0.00 H new ATOM 0 HB VAL A 60 4.091 1.305 -6.745 1.00 0.00 H new ATOM 0 HG11 VAL A 60 3.765 0.601 -9.080 1.00 0.00 H new ATOM 0 HG12 VAL A 60 4.910 -0.459 -8.223 1.00 0.00 H new ATOM 0 HG13 VAL A 60 3.242 -1.005 -8.519 1.00 0.00 H new ATOM 0 HG21 VAL A 60 1.928 1.706 -7.852 1.00 0.00 H new ATOM 0 HG22 VAL A 60 1.330 0.146 -7.238 1.00 0.00 H new ATOM 0 HG23 VAL A 60 1.737 1.452 -6.100 1.00 0.00 H new ATOM 838 N ALA A 61 1.489 -1.660 -5.241 1.00 0.00 N ATOM 839 CA ALA A 61 0.438 -2.665 -5.342 1.00 0.00 C ATOM 840 C ALA A 61 -0.914 -2.018 -5.621 1.00 0.00 C ATOM 841 O ALA A 61 -1.118 -0.835 -5.346 1.00 0.00 O ATOM 842 CB ALA A 61 0.376 -3.493 -4.067 1.00 0.00 C ATOM 0 H ALA A 61 1.333 -0.958 -4.517 1.00 0.00 H new ATOM 0 HA ALA A 61 0.676 -3.323 -6.178 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -0.413 -4.240 -4.156 1.00 0.00 H new ATOM 0 HB2 ALA A 61 1.332 -3.992 -3.911 1.00 0.00 H new ATOM 0 HB3 ALA A 61 0.164 -2.841 -3.220 1.00 0.00 H new ATOM 848 N THR A 62 -1.837 -2.801 -6.171 1.00 0.00 N ATOM 849 CA THR A 62 -3.170 -2.304 -6.490 1.00 0.00 C ATOM 850 C THR A 62 -4.243 -3.094 -5.749 1.00 0.00 C ATOM 851 O THR A 62 -4.389 -4.300 -5.948 1.00 0.00 O ATOM 852 CB THR A 62 -3.449 -2.376 -8.003 1.00 0.00 C ATOM 853 OG1 THR A 62 -2.491 -1.586 -8.716 1.00 0.00 O ATOM 854 CG2 THR A 62 -4.854 -1.884 -8.318 1.00 0.00 C ATOM 0 H THR A 62 -1.686 -3.782 -6.405 1.00 0.00 H new ATOM 0 HA THR A 62 -3.204 -1.262 -6.171 1.00 0.00 H new ATOM 0 HB THR A 62 -3.366 -3.417 -8.316 1.00 0.00 H new ATOM 0 HG1 THR A 62 -2.674 -1.638 -9.677 1.00 0.00 H new ATOM 0 HG21 THR A 62 -5.028 -1.944 -9.392 1.00 0.00 H new ATOM 0 HG22 THR A 62 -5.582 -2.505 -7.797 1.00 0.00 H new ATOM 0 HG23 THR A 62 -4.959 -0.850 -7.991 1.00 0.00 H new ATOM 862 N VAL A 63 -4.993 -2.406 -4.893 1.00 0.00 N ATOM 863 CA VAL A 63 -6.054 -3.044 -4.123 1.00 0.00 C ATOM 864 C VAL A 63 -7.424 -2.741 -4.721 1.00 0.00 C ATOM 865 O VAL A 63 -7.813 -1.580 -4.854 1.00 0.00 O ATOM 866 CB VAL A 63 -6.035 -2.584 -2.653 1.00 0.00 C ATOM 867 CG1 VAL A 63 -7.279 -3.070 -1.925 1.00 0.00 C ATOM 868 CG2 VAL A 63 -4.774 -3.077 -1.959 1.00 0.00 C ATOM 0 H VAL A 63 -4.885 -1.407 -4.716 1.00 0.00 H new ATOM 0 HA VAL A 63 -5.872 -4.118 -4.162 1.00 0.00 H new ATOM 0 HB VAL A 63 -6.033 -1.494 -2.630 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -7.248 -2.735 -0.888 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -8.167 -2.664 -2.411 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -7.315 -4.159 -1.954 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -4.776 -2.744 -0.921 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -4.744 -4.166 -1.990 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -3.898 -2.675 -2.468 1.00 0.00 H new ATOM 878 N THR A 64 -8.153 -3.794 -5.080 1.00 0.00 N ATOM 879 CA THR A 64 -9.479 -3.641 -5.664 1.00 0.00 C ATOM 880 C THR A 64 -10.545 -4.283 -4.782 1.00 0.00 C ATOM 881 O THR A 64 -10.255 -5.184 -3.997 1.00 0.00 O ATOM 882 CB THR A 64 -9.549 -4.265 -7.070 1.00 0.00 C ATOM 883 OG1 THR A 64 -9.480 -5.693 -6.977 1.00 0.00 O ATOM 884 CG2 THR A 64 -8.415 -3.754 -7.946 1.00 0.00 C ATOM 0 H THR A 64 -7.847 -4.761 -4.976 1.00 0.00 H new ATOM 0 HA THR A 64 -9.670 -2.570 -5.740 1.00 0.00 H new ATOM 0 HB THR A 64 -10.497 -3.976 -7.524 1.00 0.00 H new ATOM 0 HG1 THR A 64 -9.527 -6.082 -7.875 1.00 0.00 H new ATOM 0 HG21 THR A 64 -8.485 -4.209 -8.934 1.00 0.00 H new ATOM 0 HG22 THR A 64 -8.487 -2.670 -8.039 1.00 0.00 H new ATOM 0 HG23 THR A 64 -7.459 -4.016 -7.493 1.00 0.00 H new ATOM 892 N GLY A 65 -11.781 -3.813 -4.919 1.00 0.00 N ATOM 893 CA GLY A 65 -12.872 -4.353 -4.129 1.00 0.00 C ATOM 894 C GLY A 65 -12.900 -3.794 -2.720 1.00 0.00 C ATOM 895 O GLY A 65 -13.173 -4.519 -1.762 1.00 0.00 O ATOM 0 H GLY A 65 -12.046 -3.068 -5.563 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -13.818 -4.132 -4.623 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -12.782 -5.438 -4.084 1.00 0.00 H new ATOM 899 N LEU A 66 -12.615 -2.503 -2.592 1.00 0.00 N ATOM 900 CA LEU A 66 -12.607 -1.847 -1.289 1.00 0.00 C ATOM 901 C LEU A 66 -14.002 -1.355 -0.919 1.00 0.00 C ATOM 902 O LEU A 66 -14.795 -0.996 -1.789 1.00 0.00 O ATOM 903 CB LEU A 66 -11.624 -0.675 -1.293 1.00 0.00 C ATOM 904 CG LEU A 66 -10.141 -1.042 -1.251 1.00 0.00 C ATOM 905 CD1 LEU A 66 -9.307 0.022 -1.947 1.00 0.00 C ATOM 906 CD2 LEU A 66 -9.678 -1.230 0.186 1.00 0.00 C ATOM 0 H LEU A 66 -12.386 -1.890 -3.374 1.00 0.00 H new ATOM 0 HA LEU A 66 -12.290 -2.576 -0.544 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -11.805 -0.079 -2.187 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -11.845 -0.039 -0.436 1.00 0.00 H new ATOM 0 HG LEU A 66 -10.005 -1.985 -1.781 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -8.254 -0.257 -1.907 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -9.620 0.107 -2.988 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -9.448 0.980 -1.446 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -8.620 -1.491 0.196 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -9.829 -0.304 0.741 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -10.253 -2.030 0.652 1.00 0.00 H new ATOM 918 N GLN A 67 -14.294 -1.338 0.378 1.00 0.00 N ATOM 919 CA GLN A 67 -15.593 -0.888 0.863 1.00 0.00 C ATOM 920 C GLN A 67 -15.444 -0.075 2.144 1.00 0.00 C ATOM 921 O GLN A 67 -14.385 -0.076 2.773 1.00 0.00 O ATOM 922 CB GLN A 67 -16.512 -2.086 1.109 1.00 0.00 C ATOM 923 CG GLN A 67 -15.979 -3.058 2.149 1.00 0.00 C ATOM 924 CD GLN A 67 -16.378 -2.679 3.561 1.00 0.00 C ATOM 925 OE1 GLN A 67 -17.305 -1.895 3.767 1.00 0.00 O ATOM 926 NE2 GLN A 67 -15.680 -3.235 4.544 1.00 0.00 N ATOM 0 H GLN A 67 -13.648 -1.631 1.111 1.00 0.00 H new ATOM 0 HA GLN A 67 -16.037 -0.250 0.099 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -17.489 -1.724 1.429 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -16.661 -2.618 0.169 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -16.348 -4.059 1.928 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -14.892 -3.097 2.081 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -14.920 -3.880 4.328 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -15.904 -3.018 5.515 1.00 0.00 H new ATOM 935 N VAL A 68 -16.511 0.620 2.526 1.00 0.00 N ATOM 936 CA VAL A 68 -16.499 1.437 3.733 1.00 0.00 C ATOM 937 C VAL A 68 -15.840 0.697 4.892 1.00 0.00 C ATOM 938 O VAL A 68 -16.413 -0.237 5.451 1.00 0.00 O ATOM 939 CB VAL A 68 -17.924 1.850 4.146 1.00 0.00 C ATOM 940 CG1 VAL A 68 -17.890 2.704 5.404 1.00 0.00 C ATOM 941 CG2 VAL A 68 -18.615 2.588 3.009 1.00 0.00 C ATOM 0 H VAL A 68 -17.395 0.633 2.017 1.00 0.00 H new ATOM 0 HA VAL A 68 -15.922 2.332 3.503 1.00 0.00 H new ATOM 0 HB VAL A 68 -18.496 0.948 4.364 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -18.906 2.986 5.680 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -17.437 2.136 6.217 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -17.302 3.603 5.218 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -19.621 2.872 3.318 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -18.046 3.483 2.757 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -18.674 1.938 2.136 1.00 0.00 H new ATOM 951 N GLY A 69 -14.632 1.122 5.249 1.00 0.00 N ATOM 952 CA GLY A 69 -13.915 0.489 6.340 1.00 0.00 C ATOM 953 C GLY A 69 -12.480 0.967 6.445 1.00 0.00 C ATOM 954 O GLY A 69 -12.068 1.882 5.731 1.00 0.00 O ATOM 0 H GLY A 69 -14.137 1.894 4.802 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -14.432 0.693 7.277 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -13.925 -0.592 6.199 1.00 0.00 H new ATOM 958 N THR A 70 -11.716 0.349 7.341 1.00 0.00 N ATOM 959 CA THR A 70 -10.321 0.719 7.540 1.00 0.00 C ATOM 960 C THR A 70 -9.386 -0.386 7.062 1.00 0.00 C ATOM 961 O THR A 70 -9.431 -1.510 7.561 1.00 0.00 O ATOM 962 CB THR A 70 -10.026 1.020 9.022 1.00 0.00 C ATOM 963 OG1 THR A 70 -11.117 1.741 9.603 1.00 0.00 O ATOM 964 CG2 THR A 70 -8.744 1.827 9.165 1.00 0.00 C ATOM 0 H THR A 70 -12.041 -0.410 7.940 1.00 0.00 H new ATOM 0 HA THR A 70 -10.145 1.620 6.952 1.00 0.00 H new ATOM 0 HB THR A 70 -9.900 0.072 9.544 1.00 0.00 H new ATOM 0 HG1 THR A 70 -10.922 1.926 10.545 1.00 0.00 H new ATOM 0 HG21 THR A 70 -8.556 2.028 10.220 1.00 0.00 H new ATOM 0 HG22 THR A 70 -7.910 1.262 8.749 1.00 0.00 H new ATOM 0 HG23 THR A 70 -8.846 2.771 8.629 1.00 0.00 H new ATOM 972 N TYR A 71 -8.539 -0.058 6.092 1.00 0.00 N ATOM 973 CA TYR A 71 -7.593 -1.024 5.545 1.00 0.00 C ATOM 974 C TYR A 71 -6.157 -0.623 5.867 1.00 0.00 C ATOM 975 O TYR A 71 -5.708 0.465 5.508 1.00 0.00 O ATOM 976 CB TYR A 71 -7.773 -1.143 4.031 1.00 0.00 C ATOM 977 CG TYR A 71 -9.054 -1.838 3.626 1.00 0.00 C ATOM 978 CD1 TYR A 71 -9.160 -3.222 3.667 1.00 0.00 C ATOM 979 CD2 TYR A 71 -10.159 -1.108 3.203 1.00 0.00 C ATOM 980 CE1 TYR A 71 -10.328 -3.861 3.298 1.00 0.00 C ATOM 981 CE2 TYR A 71 -11.332 -1.738 2.833 1.00 0.00 C ATOM 982 CZ TYR A 71 -11.411 -3.114 2.882 1.00 0.00 C ATOM 983 OH TYR A 71 -12.577 -3.746 2.514 1.00 0.00 O ATOM 0 H TYR A 71 -8.488 0.869 5.669 1.00 0.00 H new ATOM 0 HA TYR A 71 -7.793 -1.991 6.006 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -7.756 -0.145 3.592 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -6.926 -1.689 3.615 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -8.314 -3.809 3.993 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -10.100 -0.030 3.163 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -10.393 -4.938 3.335 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -12.182 -1.156 2.507 1.00 0.00 H new ATOM 0 HH TYR A 71 -12.402 -4.700 2.373 1.00 0.00 H new ATOM 993 N VAL A 72 -5.440 -1.512 6.548 1.00 0.00 N ATOM 994 CA VAL A 72 -4.054 -1.254 6.918 1.00 0.00 C ATOM 995 C VAL A 72 -3.103 -2.181 6.170 1.00 0.00 C ATOM 996 O VAL A 72 -2.926 -3.340 6.545 1.00 0.00 O ATOM 997 CB VAL A 72 -3.836 -1.427 8.433 1.00 0.00 C ATOM 998 CG1 VAL A 72 -2.469 -0.900 8.840 1.00 0.00 C ATOM 999 CG2 VAL A 72 -4.940 -0.729 9.213 1.00 0.00 C ATOM 0 H VAL A 72 -5.797 -2.417 6.854 1.00 0.00 H new ATOM 0 HA VAL A 72 -3.841 -0.221 6.643 1.00 0.00 H new ATOM 0 HB VAL A 72 -3.873 -2.491 8.668 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -2.333 -1.031 9.914 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -1.694 -1.450 8.307 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -2.399 0.159 8.592 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -4.770 -0.861 10.282 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -4.938 0.335 8.974 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -5.904 -1.159 8.943 1.00 0.00 H new ATOM 1009 N PHE A 73 -2.493 -1.663 5.109 1.00 0.00 N ATOM 1010 CA PHE A 73 -1.560 -2.445 4.306 1.00 0.00 C ATOM 1011 C PHE A 73 -0.118 -2.167 4.723 1.00 0.00 C ATOM 1012 O PHE A 73 0.341 -1.024 4.690 1.00 0.00 O ATOM 1013 CB PHE A 73 -1.743 -2.129 2.821 1.00 0.00 C ATOM 1014 CG PHE A 73 -3.158 -2.289 2.344 1.00 0.00 C ATOM 1015 CD1 PHE A 73 -3.635 -3.529 1.950 1.00 0.00 C ATOM 1016 CD2 PHE A 73 -4.012 -1.199 2.288 1.00 0.00 C ATOM 1017 CE1 PHE A 73 -4.937 -3.679 1.511 1.00 0.00 C ATOM 1018 CE2 PHE A 73 -5.315 -1.343 1.851 1.00 0.00 C ATOM 1019 CZ PHE A 73 -5.778 -2.585 1.461 1.00 0.00 C ATOM 0 H PHE A 73 -2.628 -0.705 4.785 1.00 0.00 H new ATOM 0 HA PHE A 73 -1.771 -3.501 4.474 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -1.418 -1.106 2.633 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -1.095 -2.782 2.236 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -2.982 -4.388 1.986 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -3.655 -0.225 2.590 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -5.296 -4.651 1.207 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -5.971 -0.486 1.814 1.00 0.00 H new ATOM 0 HZ PHE A 73 -6.796 -2.700 1.118 1.00 0.00 H new ATOM 1029 N THR A 74 0.592 -3.220 5.116 1.00 0.00 N ATOM 1030 CA THR A 74 1.980 -3.090 5.541 1.00 0.00 C ATOM 1031 C THR A 74 2.936 -3.535 4.440 1.00 0.00 C ATOM 1032 O THR A 74 2.893 -4.681 3.992 1.00 0.00 O ATOM 1033 CB THR A 74 2.258 -3.916 6.811 1.00 0.00 C ATOM 1034 OG1 THR A 74 1.543 -3.363 7.922 1.00 0.00 O ATOM 1035 CG2 THR A 74 3.746 -3.944 7.123 1.00 0.00 C ATOM 0 H THR A 74 0.228 -4.172 5.149 1.00 0.00 H new ATOM 0 HA THR A 74 2.147 -2.035 5.759 1.00 0.00 H new ATOM 0 HB THR A 74 1.920 -4.937 6.634 1.00 0.00 H new ATOM 0 HG1 THR A 74 0.620 -3.693 7.914 1.00 0.00 H new ATOM 0 HG21 THR A 74 3.918 -4.533 8.024 1.00 0.00 H new ATOM 0 HG22 THR A 74 4.284 -4.392 6.288 1.00 0.00 H new ATOM 0 HG23 THR A 74 4.104 -2.927 7.281 1.00 0.00 H new ATOM 1043 N LEU A 75 3.799 -2.622 4.008 1.00 0.00 N ATOM 1044 CA LEU A 75 4.767 -2.920 2.959 1.00 0.00 C ATOM 1045 C LEU A 75 6.094 -3.378 3.557 1.00 0.00 C ATOM 1046 O LEU A 75 6.828 -2.586 4.148 1.00 0.00 O ATOM 1047 CB LEU A 75 4.990 -1.690 2.078 1.00 0.00 C ATOM 1048 CG LEU A 75 6.338 -1.613 1.361 1.00 0.00 C ATOM 1049 CD1 LEU A 75 6.405 -2.637 0.238 1.00 0.00 C ATOM 1050 CD2 LEU A 75 6.575 -0.210 0.820 1.00 0.00 C ATOM 0 H LEU A 75 3.848 -1.669 4.368 1.00 0.00 H new ATOM 0 HA LEU A 75 4.366 -3.729 2.348 1.00 0.00 H new ATOM 0 HB2 LEU A 75 4.200 -1.657 1.328 1.00 0.00 H new ATOM 0 HB3 LEU A 75 4.879 -0.800 2.697 1.00 0.00 H new ATOM 0 HG LEU A 75 7.124 -1.841 2.081 1.00 0.00 H new ATOM 0 HD11 LEU A 75 7.372 -2.567 -0.261 1.00 0.00 H new ATOM 0 HD12 LEU A 75 6.281 -3.638 0.651 1.00 0.00 H new ATOM 0 HD13 LEU A 75 5.610 -2.440 -0.482 1.00 0.00 H new ATOM 0 HD21 LEU A 75 7.539 -0.174 0.313 1.00 0.00 H new ATOM 0 HD22 LEU A 75 5.784 0.047 0.115 1.00 0.00 H new ATOM 0 HD23 LEU A 75 6.572 0.503 1.644 1.00 0.00 H new ATOM 1062 N THR A 76 6.397 -4.663 3.397 1.00 0.00 N ATOM 1063 CA THR A 76 7.636 -5.226 3.920 1.00 0.00 C ATOM 1064 C THR A 76 8.741 -5.191 2.871 1.00 0.00 C ATOM 1065 O THR A 76 8.668 -5.880 1.854 1.00 0.00 O ATOM 1066 CB THR A 76 7.437 -6.679 4.391 1.00 0.00 C ATOM 1067 OG1 THR A 76 6.202 -6.797 5.106 1.00 0.00 O ATOM 1068 CG2 THR A 76 8.588 -7.122 5.281 1.00 0.00 C ATOM 0 H THR A 76 5.802 -5.333 2.910 1.00 0.00 H new ATOM 0 HA THR A 76 7.928 -4.612 4.772 1.00 0.00 H new ATOM 0 HB THR A 76 7.410 -7.322 3.511 1.00 0.00 H new ATOM 0 HG1 THR A 76 6.082 -7.724 5.401 1.00 0.00 H new ATOM 0 HG21 THR A 76 8.425 -8.151 5.601 1.00 0.00 H new ATOM 0 HG22 THR A 76 9.523 -7.059 4.725 1.00 0.00 H new ATOM 0 HG23 THR A 76 8.642 -6.474 6.156 1.00 0.00 H new ATOM 1076 N VAL A 77 9.766 -4.384 3.125 1.00 0.00 N ATOM 1077 CA VAL A 77 10.889 -4.261 2.203 1.00 0.00 C ATOM 1078 C VAL A 77 12.205 -4.608 2.890 1.00 0.00 C ATOM 1079 O VAL A 77 12.304 -4.581 4.117 1.00 0.00 O ATOM 1080 CB VAL A 77 10.986 -2.837 1.624 1.00 0.00 C ATOM 1081 CG1 VAL A 77 9.602 -2.303 1.286 1.00 0.00 C ATOM 1082 CG2 VAL A 77 11.700 -1.913 2.598 1.00 0.00 C ATOM 0 H VAL A 77 9.842 -3.806 3.962 1.00 0.00 H new ATOM 0 HA VAL A 77 10.710 -4.965 1.390 1.00 0.00 H new ATOM 0 HB VAL A 77 11.569 -2.877 0.704 1.00 0.00 H new ATOM 0 HG11 VAL A 77 9.690 -1.296 0.878 1.00 0.00 H new ATOM 0 HG12 VAL A 77 9.131 -2.953 0.549 1.00 0.00 H new ATOM 0 HG13 VAL A 77 8.992 -2.277 2.189 1.00 0.00 H new ATOM 0 HG21 VAL A 77 11.759 -0.911 2.172 1.00 0.00 H new ATOM 0 HG22 VAL A 77 11.147 -1.876 3.537 1.00 0.00 H new ATOM 0 HG23 VAL A 77 12.706 -2.288 2.784 1.00 0.00 H new ATOM 1092 N LYS A 78 13.215 -4.935 2.091 1.00 0.00 N ATOM 1093 CA LYS A 78 14.527 -5.287 2.620 1.00 0.00 C ATOM 1094 C LYS A 78 15.638 -4.672 1.774 1.00 0.00 C ATOM 1095 O LYS A 78 15.525 -4.587 0.551 1.00 0.00 O ATOM 1096 CB LYS A 78 14.690 -6.808 2.667 1.00 0.00 C ATOM 1097 CG LYS A 78 14.225 -7.429 3.973 1.00 0.00 C ATOM 1098 CD LYS A 78 14.055 -8.934 3.845 1.00 0.00 C ATOM 1099 CE LYS A 78 14.316 -9.638 5.167 1.00 0.00 C ATOM 1100 NZ LYS A 78 15.764 -9.643 5.516 1.00 0.00 N ATOM 0 H LYS A 78 13.150 -4.964 1.073 1.00 0.00 H new ATOM 0 HA LYS A 78 14.602 -4.888 3.632 1.00 0.00 H new ATOM 0 HB2 LYS A 78 14.129 -7.251 1.844 1.00 0.00 H new ATOM 0 HB3 LYS A 78 15.739 -7.058 2.509 1.00 0.00 H new ATOM 0 HG2 LYS A 78 14.947 -7.209 4.759 1.00 0.00 H new ATOM 0 HG3 LYS A 78 13.279 -6.979 4.274 1.00 0.00 H new ATOM 0 HD2 LYS A 78 13.044 -9.160 3.505 1.00 0.00 H new ATOM 0 HD3 LYS A 78 14.739 -9.315 3.087 1.00 0.00 H new ATOM 0 HE2 LYS A 78 13.753 -9.144 5.959 1.00 0.00 H new ATOM 0 HE3 LYS A 78 13.953 -10.664 5.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 15.954 -10.404 6.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 16.328 -9.800 4.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 16.023 -8.728 5.937 1.00 0.00 H new ATOM 1114 N ASP A 79 16.710 -4.246 2.433 1.00 0.00 N ATOM 1115 CA ASP A 79 17.842 -3.642 1.741 1.00 0.00 C ATOM 1116 C ASP A 79 18.942 -4.670 1.497 1.00 0.00 C ATOM 1117 O ASP A 79 18.780 -5.850 1.804 1.00 0.00 O ATOM 1118 CB ASP A 79 18.395 -2.468 2.551 1.00 0.00 C ATOM 1119 CG ASP A 79 19.054 -1.420 1.676 1.00 0.00 C ATOM 1120 OD1 ASP A 79 18.347 -0.494 1.225 1.00 0.00 O ATOM 1121 OD2 ASP A 79 20.276 -1.525 1.441 1.00 0.00 O ATOM 0 H ASP A 79 16.819 -4.308 3.445 1.00 0.00 H new ATOM 0 HA ASP A 79 17.492 -3.275 0.776 1.00 0.00 H new ATOM 0 HB2 ASP A 79 17.585 -2.008 3.117 1.00 0.00 H new ATOM 0 HB3 ASP A 79 19.119 -2.840 3.276 1.00 0.00 H new ATOM 1126 N GLU A 80 20.060 -4.213 0.941 1.00 0.00 N ATOM 1127 CA GLU A 80 21.186 -5.095 0.654 1.00 0.00 C ATOM 1128 C GLU A 80 21.701 -5.752 1.932 1.00 0.00 C ATOM 1129 O GLU A 80 22.174 -6.889 1.910 1.00 0.00 O ATOM 1130 CB GLU A 80 22.314 -4.314 -0.022 1.00 0.00 C ATOM 1131 CG GLU A 80 23.315 -5.197 -0.748 1.00 0.00 C ATOM 1132 CD GLU A 80 24.629 -4.490 -1.017 1.00 0.00 C ATOM 1133 OE1 GLU A 80 25.077 -3.719 -0.143 1.00 0.00 O ATOM 1134 OE2 GLU A 80 25.209 -4.708 -2.102 1.00 0.00 O ATOM 0 H GLU A 80 20.210 -3.238 0.681 1.00 0.00 H new ATOM 0 HA GLU A 80 20.840 -5.877 -0.022 1.00 0.00 H new ATOM 0 HB2 GLU A 80 21.882 -3.609 -0.732 1.00 0.00 H new ATOM 0 HB3 GLU A 80 22.839 -3.726 0.731 1.00 0.00 H new ATOM 0 HG2 GLU A 80 23.503 -6.091 -0.154 1.00 0.00 H new ATOM 0 HG3 GLU A 80 22.884 -5.527 -1.693 1.00 0.00 H new ATOM 1141 N ARG A 81 21.607 -5.028 3.042 1.00 0.00 N ATOM 1142 CA ARG A 81 22.065 -5.539 4.328 1.00 0.00 C ATOM 1143 C ARG A 81 20.980 -6.378 4.997 1.00 0.00 C ATOM 1144 O ARG A 81 20.995 -6.576 6.212 1.00 0.00 O ATOM 1145 CB ARG A 81 22.469 -4.383 5.245 1.00 0.00 C ATOM 1146 CG ARG A 81 23.839 -3.806 4.930 1.00 0.00 C ATOM 1147 CD ARG A 81 24.159 -2.612 5.817 1.00 0.00 C ATOM 1148 NE ARG A 81 23.222 -1.511 5.611 1.00 0.00 N ATOM 1149 CZ ARG A 81 23.170 -0.435 6.388 1.00 0.00 C ATOM 1150 NH1 ARG A 81 23.997 -0.317 7.418 1.00 0.00 N ATOM 1151 NH2 ARG A 81 22.289 0.525 6.136 1.00 0.00 N ATOM 0 H ARG A 81 21.218 -4.086 3.077 1.00 0.00 H new ATOM 0 HA ARG A 81 22.933 -6.174 4.151 1.00 0.00 H new ATOM 0 HB2 ARG A 81 21.724 -3.591 5.167 1.00 0.00 H new ATOM 0 HB3 ARG A 81 22.459 -4.730 6.278 1.00 0.00 H new ATOM 0 HG2 ARG A 81 24.599 -4.575 5.066 1.00 0.00 H new ATOM 0 HG3 ARG A 81 23.876 -3.503 3.884 1.00 0.00 H new ATOM 0 HD2 ARG A 81 24.133 -2.920 6.862 1.00 0.00 H new ATOM 0 HD3 ARG A 81 25.173 -2.269 5.611 1.00 0.00 H new ATOM 0 HE ARG A 81 22.572 -1.572 4.827 1.00 0.00 H new ATOM 0 HH11 ARG A 81 24.675 -1.053 7.615 1.00 0.00 H new ATOM 0 HH12 ARG A 81 23.955 0.510 8.013 1.00 0.00 H new ATOM 0 HH21 ARG A 81 21.651 0.437 5.345 1.00 0.00 H new ATOM 0 HH22 ARG A 81 22.250 1.351 6.733 1.00 0.00 H new ATOM 1165 N ASN A 82 20.040 -6.869 4.196 1.00 0.00 N ATOM 1166 CA ASN A 82 18.947 -7.685 4.711 1.00 0.00 C ATOM 1167 C ASN A 82 18.215 -6.966 5.839 1.00 0.00 C ATOM 1168 O ASN A 82 17.651 -7.600 6.732 1.00 0.00 O ATOM 1169 CB ASN A 82 19.479 -9.030 5.210 1.00 0.00 C ATOM 1170 CG ASN A 82 19.722 -10.011 4.079 1.00 0.00 C ATOM 1171 OD1 ASN A 82 18.792 -10.411 3.379 1.00 0.00 O ATOM 1172 ND2 ASN A 82 20.978 -10.405 3.897 1.00 0.00 N ATOM 0 H ASN A 82 20.013 -6.716 3.188 1.00 0.00 H new ATOM 0 HA ASN A 82 18.242 -7.859 3.898 1.00 0.00 H new ATOM 0 HB2 ASN A 82 20.409 -8.870 5.755 1.00 0.00 H new ATOM 0 HB3 ASN A 82 18.767 -9.461 5.914 1.00 0.00 H new ATOM 0 HD21 ASN A 82 21.203 -11.065 3.153 1.00 0.00 H new ATOM 0 HD22 ASN A 82 21.717 -10.047 4.502 1.00 0.00 H new ATOM 1179 N LEU A 83 18.226 -5.638 5.791 1.00 0.00 N ATOM 1180 CA LEU A 83 17.562 -4.830 6.809 1.00 0.00 C ATOM 1181 C LEU A 83 16.047 -4.989 6.727 1.00 0.00 C ATOM 1182 O LEU A 83 15.452 -4.809 5.664 1.00 0.00 O ATOM 1183 CB LEU A 83 17.941 -3.358 6.647 1.00 0.00 C ATOM 1184 CG LEU A 83 19.305 -2.950 7.207 1.00 0.00 C ATOM 1185 CD1 LEU A 83 19.871 -1.772 6.430 1.00 0.00 C ATOM 1186 CD2 LEU A 83 19.194 -2.612 8.686 1.00 0.00 C ATOM 0 H LEU A 83 18.687 -5.098 5.059 1.00 0.00 H new ATOM 0 HA LEU A 83 17.893 -5.178 7.787 1.00 0.00 H new ATOM 0 HB2 LEU A 83 17.918 -3.112 5.585 1.00 0.00 H new ATOM 0 HB3 LEU A 83 17.176 -2.751 7.131 1.00 0.00 H new ATOM 0 HG LEU A 83 19.988 -3.792 7.097 1.00 0.00 H new ATOM 0 HD11 LEU A 83 20.841 -1.496 6.843 1.00 0.00 H new ATOM 0 HD12 LEU A 83 19.988 -2.050 5.382 1.00 0.00 H new ATOM 0 HD13 LEU A 83 19.190 -0.924 6.507 1.00 0.00 H new ATOM 0 HD21 LEU A 83 20.173 -2.324 9.068 1.00 0.00 H new ATOM 0 HD22 LEU A 83 18.495 -1.786 8.819 1.00 0.00 H new ATOM 0 HD23 LEU A 83 18.834 -3.484 9.232 1.00 0.00 H new ATOM 1198 N GLN A 84 15.430 -5.324 7.855 1.00 0.00 N ATOM 1199 CA GLN A 84 13.984 -5.505 7.910 1.00 0.00 C ATOM 1200 C GLN A 84 13.288 -4.206 8.303 1.00 0.00 C ATOM 1201 O GLN A 84 13.478 -3.697 9.408 1.00 0.00 O ATOM 1202 CB GLN A 84 13.625 -6.611 8.904 1.00 0.00 C ATOM 1203 CG GLN A 84 12.284 -7.269 8.622 1.00 0.00 C ATOM 1204 CD GLN A 84 11.630 -7.821 9.874 1.00 0.00 C ATOM 1205 OE1 GLN A 84 12.032 -8.863 10.391 1.00 0.00 O ATOM 1206 NE2 GLN A 84 10.615 -7.122 10.368 1.00 0.00 N ATOM 0 H GLN A 84 15.908 -5.476 8.743 1.00 0.00 H new ATOM 0 HA GLN A 84 13.641 -5.794 6.917 1.00 0.00 H new ATOM 0 HB2 GLN A 84 14.405 -7.372 8.886 1.00 0.00 H new ATOM 0 HB3 GLN A 84 13.611 -6.193 9.911 1.00 0.00 H new ATOM 0 HG2 GLN A 84 11.617 -6.542 8.159 1.00 0.00 H new ATOM 0 HG3 GLN A 84 12.424 -8.077 7.903 1.00 0.00 H new ATOM 0 HE21 GLN A 84 10.315 -6.263 9.907 1.00 0.00 H new ATOM 0 HE22 GLN A 84 10.135 -7.444 11.209 1.00 0.00 H new ATOM 1215 N SER A 85 12.480 -3.674 7.391 1.00 0.00 N ATOM 1216 CA SER A 85 11.758 -2.432 7.641 1.00 0.00 C ATOM 1217 C SER A 85 10.478 -2.372 6.814 1.00 0.00 C ATOM 1218 O SER A 85 10.517 -2.435 5.586 1.00 0.00 O ATOM 1219 CB SER A 85 12.645 -1.228 7.317 1.00 0.00 C ATOM 1220 OG SER A 85 13.673 -1.077 8.280 1.00 0.00 O ATOM 0 H SER A 85 12.309 -4.084 6.473 1.00 0.00 H new ATOM 0 HA SER A 85 11.489 -2.403 8.697 1.00 0.00 H new ATOM 0 HB2 SER A 85 13.085 -1.353 6.328 1.00 0.00 H new ATOM 0 HB3 SER A 85 12.038 -0.323 7.284 1.00 0.00 H new ATOM 0 HG SER A 85 13.669 -1.847 8.886 1.00 0.00 H new ATOM 1226 N GLN A 86 9.345 -2.250 7.498 1.00 0.00 N ATOM 1227 CA GLN A 86 8.052 -2.182 6.827 1.00 0.00 C ATOM 1228 C GLN A 86 7.259 -0.966 7.295 1.00 0.00 C ATOM 1229 O GLN A 86 7.444 -0.484 8.413 1.00 0.00 O ATOM 1230 CB GLN A 86 7.251 -3.459 7.087 1.00 0.00 C ATOM 1231 CG GLN A 86 6.888 -3.663 8.549 1.00 0.00 C ATOM 1232 CD GLN A 86 6.567 -5.108 8.875 1.00 0.00 C ATOM 1233 OE1 GLN A 86 5.514 -5.410 9.438 1.00 0.00 O ATOM 1234 NE2 GLN A 86 7.474 -6.011 8.522 1.00 0.00 N ATOM 0 H GLN A 86 9.296 -2.196 8.515 1.00 0.00 H new ATOM 0 HA GLN A 86 8.231 -2.086 5.756 1.00 0.00 H new ATOM 0 HB2 GLN A 86 6.336 -3.431 6.495 1.00 0.00 H new ATOM 0 HB3 GLN A 86 7.828 -4.317 6.742 1.00 0.00 H new ATOM 0 HG2 GLN A 86 7.715 -3.329 9.175 1.00 0.00 H new ATOM 0 HG3 GLN A 86 6.029 -3.039 8.796 1.00 0.00 H new ATOM 0 HE21 GLN A 86 8.333 -5.716 8.057 1.00 0.00 H new ATOM 0 HE22 GLN A 86 7.312 -6.999 8.715 1.00 0.00 H new ATOM 1243 N SER A 87 6.374 -0.475 6.433 1.00 0.00 N ATOM 1244 CA SER A 87 5.556 0.688 6.756 1.00 0.00 C ATOM 1245 C SER A 87 4.089 0.427 6.428 1.00 0.00 C ATOM 1246 O SER A 87 3.766 -0.147 5.388 1.00 0.00 O ATOM 1247 CB SER A 87 6.051 1.916 5.990 1.00 0.00 C ATOM 1248 OG SER A 87 5.720 3.112 6.675 1.00 0.00 O ATOM 0 H SER A 87 6.205 -0.865 5.506 1.00 0.00 H new ATOM 0 HA SER A 87 5.644 0.877 7.826 1.00 0.00 H new ATOM 0 HB2 SER A 87 7.131 1.855 5.859 1.00 0.00 H new ATOM 0 HB3 SER A 87 5.609 1.930 4.994 1.00 0.00 H new ATOM 0 HG SER A 87 6.049 3.882 6.166 1.00 0.00 H new ATOM 1254 N SER A 88 3.204 0.854 7.324 1.00 0.00 N ATOM 1255 CA SER A 88 1.771 0.664 7.133 1.00 0.00 C ATOM 1256 C SER A 88 1.119 1.940 6.608 1.00 0.00 C ATOM 1257 O SER A 88 1.684 3.028 6.714 1.00 0.00 O ATOM 1258 CB SER A 88 1.111 0.244 8.447 1.00 0.00 C ATOM 1259 OG SER A 88 1.144 1.297 9.394 1.00 0.00 O ATOM 0 H SER A 88 3.454 1.334 8.189 1.00 0.00 H new ATOM 0 HA SER A 88 1.629 -0.126 6.395 1.00 0.00 H new ATOM 0 HB2 SER A 88 0.078 -0.050 8.261 1.00 0.00 H new ATOM 0 HB3 SER A 88 1.623 -0.629 8.852 1.00 0.00 H new ATOM 0 HG SER A 88 0.714 1.004 10.225 1.00 0.00 H new ATOM 1265 N VAL A 89 -0.075 1.797 6.042 1.00 0.00 N ATOM 1266 CA VAL A 89 -0.806 2.937 5.501 1.00 0.00 C ATOM 1267 C VAL A 89 -2.288 2.854 5.848 1.00 0.00 C ATOM 1268 O VAL A 89 -2.926 1.822 5.645 1.00 0.00 O ATOM 1269 CB VAL A 89 -0.652 3.028 3.971 1.00 0.00 C ATOM 1270 CG1 VAL A 89 -1.077 1.724 3.313 1.00 0.00 C ATOM 1271 CG2 VAL A 89 -1.456 4.198 3.424 1.00 0.00 C ATOM 0 H VAL A 89 -0.557 0.903 5.946 1.00 0.00 H new ATOM 0 HA VAL A 89 -0.379 3.831 5.955 1.00 0.00 H new ATOM 0 HB VAL A 89 0.399 3.198 3.738 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -0.961 1.807 2.232 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -0.454 0.910 3.683 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -2.121 1.519 3.551 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -1.336 4.248 2.342 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -2.510 4.060 3.666 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -1.099 5.126 3.872 1.00 0.00 H new ATOM 1281 N ASN A 90 -2.830 3.949 6.371 1.00 0.00 N ATOM 1282 CA ASN A 90 -4.239 4.000 6.747 1.00 0.00 C ATOM 1283 C ASN A 90 -5.107 4.378 5.551 1.00 0.00 C ATOM 1284 O ASN A 90 -5.115 5.530 5.115 1.00 0.00 O ATOM 1285 CB ASN A 90 -4.449 5.004 7.882 1.00 0.00 C ATOM 1286 CG ASN A 90 -4.263 4.377 9.250 1.00 0.00 C ATOM 1287 OD1 ASN A 90 -4.505 3.185 9.437 1.00 0.00 O ATOM 1288 ND2 ASN A 90 -3.829 5.181 10.215 1.00 0.00 N ATOM 0 H ASN A 90 -2.316 4.813 6.544 1.00 0.00 H new ATOM 0 HA ASN A 90 -4.535 3.008 7.089 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -3.749 5.831 7.766 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -5.452 5.424 7.811 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -3.684 4.816 11.156 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -3.641 6.163 10.014 1.00 0.00 H new ATOM 1295 N VAL A 91 -5.838 3.401 5.024 1.00 0.00 N ATOM 1296 CA VAL A 91 -6.711 3.631 3.879 1.00 0.00 C ATOM 1297 C VAL A 91 -8.171 3.720 4.311 1.00 0.00 C ATOM 1298 O VAL A 91 -8.811 2.703 4.583 1.00 0.00 O ATOM 1299 CB VAL A 91 -6.565 2.514 2.829 1.00 0.00 C ATOM 1300 CG1 VAL A 91 -7.511 2.752 1.662 1.00 0.00 C ATOM 1301 CG2 VAL A 91 -5.125 2.421 2.348 1.00 0.00 C ATOM 0 H VAL A 91 -5.843 2.442 5.372 1.00 0.00 H new ATOM 0 HA VAL A 91 -6.408 4.579 3.435 1.00 0.00 H new ATOM 0 HB VAL A 91 -6.831 1.565 3.294 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -7.394 1.953 0.930 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -8.539 2.765 2.024 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -7.279 3.709 1.195 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -5.040 1.627 1.606 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -4.829 3.369 1.900 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -4.473 2.200 3.193 1.00 0.00 H new ATOM 1311 N ILE A 92 -8.691 4.941 4.371 1.00 0.00 N ATOM 1312 CA ILE A 92 -10.076 5.162 4.768 1.00 0.00 C ATOM 1313 C ILE A 92 -10.985 5.279 3.549 1.00 0.00 C ATOM 1314 O ILE A 92 -10.714 6.052 2.630 1.00 0.00 O ATOM 1315 CB ILE A 92 -10.220 6.433 5.625 1.00 0.00 C ATOM 1316 CG1 ILE A 92 -9.355 6.327 6.883 1.00 0.00 C ATOM 1317 CG2 ILE A 92 -11.678 6.660 5.996 1.00 0.00 C ATOM 1318 CD1 ILE A 92 -8.862 7.663 7.392 1.00 0.00 C ATOM 0 H ILE A 92 -8.174 5.792 4.150 1.00 0.00 H new ATOM 0 HA ILE A 92 -10.376 4.298 5.361 1.00 0.00 H new ATOM 0 HB ILE A 92 -9.877 7.287 5.041 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -9.930 5.838 7.669 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -8.497 5.689 6.671 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -11.763 7.562 6.602 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -12.271 6.775 5.088 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -12.046 5.806 6.564 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -8.256 7.511 8.285 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -8.260 8.146 6.622 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -9.715 8.297 7.636 1.00 0.00 H new ATOM 1330 N VAL A 93 -12.067 4.507 3.549 1.00 0.00 N ATOM 1331 CA VAL A 93 -13.019 4.525 2.445 1.00 0.00 C ATOM 1332 C VAL A 93 -14.352 5.126 2.878 1.00 0.00 C ATOM 1333 O VAL A 93 -14.940 4.705 3.875 1.00 0.00 O ATOM 1334 CB VAL A 93 -13.263 3.110 1.890 1.00 0.00 C ATOM 1335 CG1 VAL A 93 -14.389 3.123 0.868 1.00 0.00 C ATOM 1336 CG2 VAL A 93 -11.986 2.550 1.280 1.00 0.00 C ATOM 0 H VAL A 93 -12.306 3.861 4.301 1.00 0.00 H new ATOM 0 HA VAL A 93 -12.582 5.144 1.661 1.00 0.00 H new ATOM 0 HB VAL A 93 -13.561 2.462 2.714 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -14.546 2.114 0.487 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -15.305 3.480 1.340 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -14.124 3.785 0.043 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -12.176 1.549 0.893 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -11.657 3.197 0.467 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -11.209 2.502 2.043 1.00 0.00 H new ATOM 1346 N LYS A 94 -14.825 6.111 2.123 1.00 0.00 N ATOM 1347 CA LYS A 94 -16.090 6.769 2.426 1.00 0.00 C ATOM 1348 C LYS A 94 -17.092 6.571 1.294 1.00 0.00 C ATOM 1349 O LYS A 94 -16.743 6.069 0.226 1.00 0.00 O ATOM 1350 CB LYS A 94 -15.866 8.264 2.667 1.00 0.00 C ATOM 1351 CG LYS A 94 -15.166 8.570 3.980 1.00 0.00 C ATOM 1352 CD LYS A 94 -14.411 9.887 3.916 1.00 0.00 C ATOM 1353 CE LYS A 94 -13.618 10.138 5.189 1.00 0.00 C ATOM 1354 NZ LYS A 94 -12.749 11.341 5.073 1.00 0.00 N ATOM 0 H LYS A 94 -14.350 6.472 1.295 1.00 0.00 H new ATOM 0 HA LYS A 94 -16.497 6.318 3.331 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -15.275 8.671 1.846 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -16.829 8.774 2.651 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -15.901 8.609 4.784 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -14.473 7.764 4.220 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -13.735 9.879 3.061 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -15.115 10.704 3.758 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -14.305 10.266 6.026 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -13.003 9.266 5.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -11.757 11.068 5.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -12.855 11.756 4.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -13.028 12.041 5.790 1.00 0.00 H new ATOM 1368 N GLU A 95 -18.337 6.969 1.534 1.00 0.00 N ATOM 1369 CA GLU A 95 -19.389 6.835 0.533 1.00 0.00 C ATOM 1370 C GLU A 95 -19.465 8.080 -0.346 1.00 0.00 C ATOM 1371 O GLU A 95 -18.890 9.118 -0.020 1.00 0.00 O ATOM 1372 CB GLU A 95 -20.740 6.592 1.209 1.00 0.00 C ATOM 1373 CG GLU A 95 -21.052 5.122 1.434 1.00 0.00 C ATOM 1374 CD GLU A 95 -21.760 4.488 0.252 1.00 0.00 C ATOM 1375 OE1 GLU A 95 -21.640 5.025 -0.869 1.00 0.00 O ATOM 1376 OE2 GLU A 95 -22.433 3.455 0.449 1.00 0.00 O ATOM 0 H GLU A 95 -18.642 7.387 2.413 1.00 0.00 H new ATOM 0 HA GLU A 95 -19.148 5.979 -0.098 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -20.755 7.109 2.168 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -21.527 7.032 0.597 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -20.125 4.583 1.629 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -21.674 5.018 2.323 1.00 0.00 H new ATOM 1383 N GLU A 96 -20.178 7.966 -1.462 1.00 0.00 N ATOM 1384 CA GLU A 96 -20.327 9.082 -2.389 1.00 0.00 C ATOM 1385 C GLU A 96 -20.935 10.294 -1.688 1.00 0.00 C ATOM 1386 O GLU A 96 -21.761 10.153 -0.786 1.00 0.00 O ATOM 1387 CB GLU A 96 -21.202 8.674 -3.576 1.00 0.00 C ATOM 1388 CG GLU A 96 -21.316 9.747 -4.646 1.00 0.00 C ATOM 1389 CD GLU A 96 -22.399 9.444 -5.664 1.00 0.00 C ATOM 1390 OE1 GLU A 96 -23.465 8.934 -5.261 1.00 0.00 O ATOM 1391 OE2 GLU A 96 -22.179 9.716 -6.863 1.00 0.00 O ATOM 0 H GLU A 96 -20.661 7.114 -1.746 1.00 0.00 H new ATOM 0 HA GLU A 96 -19.336 9.354 -2.753 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -20.793 7.768 -4.024 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -22.200 8.427 -3.213 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -21.526 10.706 -4.172 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -20.359 9.847 -5.158 1.00 0.00 H new ATOM 1398 N SER A 97 -20.519 11.484 -2.109 1.00 0.00 N ATOM 1399 CA SER A 97 -21.018 12.721 -1.520 1.00 0.00 C ATOM 1400 C SER A 97 -21.237 13.784 -2.592 1.00 0.00 C ATOM 1401 O SER A 97 -20.315 14.144 -3.323 1.00 0.00 O ATOM 1402 CB SER A 97 -20.039 13.239 -0.464 1.00 0.00 C ATOM 1403 OG SER A 97 -20.675 14.146 0.420 1.00 0.00 O ATOM 0 H SER A 97 -19.837 11.618 -2.856 1.00 0.00 H new ATOM 0 HA SER A 97 -21.975 12.508 -1.044 1.00 0.00 H new ATOM 0 HB2 SER A 97 -19.632 12.401 0.101 1.00 0.00 H new ATOM 0 HB3 SER A 97 -19.199 13.732 -0.953 1.00 0.00 H new ATOM 0 HG SER A 97 -20.029 14.461 1.086 1.00 0.00 H new ATOM 1409 N GLY A 98 -22.466 14.283 -2.679 1.00 0.00 N ATOM 1410 CA GLY A 98 -22.786 15.300 -3.664 1.00 0.00 C ATOM 1411 C GLY A 98 -23.727 14.791 -4.738 1.00 0.00 C ATOM 1412 O GLY A 98 -23.738 13.606 -5.073 1.00 0.00 O ATOM 0 H GLY A 98 -23.246 14.001 -2.085 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -23.239 16.156 -3.164 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -21.866 15.653 -4.129 1.00 0.00 H new ATOM 1416 N PRO A 99 -24.541 15.699 -5.296 1.00 0.00 N ATOM 1417 CA PRO A 99 -25.505 15.358 -6.347 1.00 0.00 C ATOM 1418 C PRO A 99 -24.826 15.011 -7.667 1.00 0.00 C ATOM 1419 O PRO A 99 -25.439 14.416 -8.553 1.00 0.00 O ATOM 1420 CB PRO A 99 -26.336 16.635 -6.492 1.00 0.00 C ATOM 1421 CG PRO A 99 -25.437 17.728 -6.028 1.00 0.00 C ATOM 1422 CD PRO A 99 -24.581 17.129 -4.946 1.00 0.00 C ATOM 0 HA PRO A 99 -26.093 14.477 -6.091 1.00 0.00 H new ATOM 0 HB2 PRO A 99 -26.646 16.790 -7.525 1.00 0.00 H new ATOM 0 HB3 PRO A 99 -27.244 16.587 -5.890 1.00 0.00 H new ATOM 0 HG2 PRO A 99 -24.824 18.103 -6.847 1.00 0.00 H new ATOM 0 HG3 PRO A 99 -26.013 18.572 -5.648 1.00 0.00 H new ATOM 0 HD2 PRO A 99 -23.583 17.568 -4.934 1.00 0.00 H new ATOM 0 HD3 PRO A 99 -25.012 17.289 -3.958 1.00 0.00 H new ATOM 1430 N SER A 100 -23.557 15.386 -7.791 1.00 0.00 N ATOM 1431 CA SER A 100 -22.796 15.117 -9.005 1.00 0.00 C ATOM 1432 C SER A 100 -21.317 14.919 -8.687 1.00 0.00 C ATOM 1433 O SER A 100 -20.782 15.534 -7.765 1.00 0.00 O ATOM 1434 CB SER A 100 -22.965 16.264 -10.003 1.00 0.00 C ATOM 1435 OG SER A 100 -22.592 15.863 -11.310 1.00 0.00 O ATOM 0 H SER A 100 -23.034 15.877 -7.066 1.00 0.00 H new ATOM 0 HA SER A 100 -23.181 14.199 -9.449 1.00 0.00 H new ATOM 0 HB2 SER A 100 -24.002 16.599 -10.004 1.00 0.00 H new ATOM 0 HB3 SER A 100 -22.356 17.113 -9.692 1.00 0.00 H new ATOM 0 HG SER A 100 -22.711 16.613 -11.929 1.00 0.00 H new ATOM 1441 N SER A 101 -20.663 14.056 -9.457 1.00 0.00 N ATOM 1442 CA SER A 101 -19.247 13.772 -9.255 1.00 0.00 C ATOM 1443 C SER A 101 -18.559 13.471 -10.583 1.00 0.00 C ATOM 1444 O SER A 101 -19.004 12.614 -11.346 1.00 0.00 O ATOM 1445 CB SER A 101 -19.072 12.592 -8.298 1.00 0.00 C ATOM 1446 OG SER A 101 -17.843 12.680 -7.599 1.00 0.00 O ATOM 0 H SER A 101 -21.091 13.541 -10.227 1.00 0.00 H new ATOM 0 HA SER A 101 -18.784 14.656 -8.817 1.00 0.00 H new ATOM 0 HB2 SER A 101 -19.898 12.571 -7.587 1.00 0.00 H new ATOM 0 HB3 SER A 101 -19.110 11.657 -8.858 1.00 0.00 H new ATOM 0 HG SER A 101 -17.756 11.915 -6.993 1.00 0.00 H new ATOM 1452 N GLY A 102 -17.468 14.182 -10.853 1.00 0.00 N ATOM 1453 CA GLY A 102 -16.735 13.977 -12.088 1.00 0.00 C ATOM 1454 C GLY A 102 -17.033 15.044 -13.123 1.00 0.00 C ATOM 1455 O GLY A 102 -16.724 16.218 -12.920 1.00 0.00 O ATOM 0 H GLY A 102 -17.079 14.897 -10.238 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -15.666 13.970 -11.875 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -16.985 12.998 -12.497 1.00 0.00 H new TER 1459 GLY A 102