USER MOD reduce.3.24.130724 H: found=0, std=0, add=894, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 889 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 50 TYR OH : rot 30:sc= 0 USER MOD Set 1.2: A 81 HIS : no HD1:sc= 0 X(o=0,f=-0.22) USER MOD Set 2.1: A 29 HIS : no HD1:sc= 0.8 K(o=1.6,f=-12!) USER MOD Set 2.2: A 64 GLN : amide:sc= 0.76 K(o=1.6,f=-8.5!) USER MOD Single : A 1 GLY N :NH3+ -115:sc= 0.0719 (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 59:sc= 1.22 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 GLN : amide:sc= -0.307 K(o=-0.31,f=-2.3!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= -0.0221 X(o=-0.022,f=-0.16) USER MOD Single : A 35 HIS : no HE2:sc= -1.78 K(o=-1.8,f=-5.5!) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 TYR OH : rot -5:sc= 0.342 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ -159:sc= -0.0154 (180deg=-0.26) USER MOD Single : A 55 ASN :FLIP amide:sc= 0 F(o=-1.1,f=0) USER MOD Single : A 56 TYR OH : rot 180:sc= -0.0291 USER MOD Single : A 59 MET CE :methyl 152:sc= -1.52 (180deg=-3.76!) USER MOD Single : A 61 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot 22:sc= 1.34 USER MOD Single : A 69 MET CE :methyl 165:sc= -3.63! (180deg=-4.62!) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 MET CE :methyl -113:sc= -4.61! (180deg=-7.72!) USER MOD Single : A 78 MET CE :methyl -130:sc= -1.29 (180deg=-3.19!) USER MOD Single : A 82 CYS SG : rot -25:sc= -1.03 USER MOD Single : A 84 LYS NZ :NH3+ -162:sc= 0 (180deg=-0.338) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 GLN : amide:sc= -1.74! X(o=-1.7!,f=-1.3) USER MOD Single : A 93 CYS SG : rot 180:sc= -0.109 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 110 SER OG : rot 99:sc= -0.314! USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -12.003 16.642 -21.045 1.00 0.00 N ATOM 2 CA GLY A 1 -12.325 17.923 -20.446 1.00 0.00 C ATOM 3 C GLY A 1 -11.707 19.086 -21.195 1.00 0.00 C ATOM 4 O GLY A 1 -10.800 18.899 -22.006 1.00 0.00 O ATOM 0 H1 GLY A 1 -12.872 16.199 -21.406 1.00 0.00 H new ATOM 0 H2 GLY A 1 -11.335 16.784 -21.829 1.00 0.00 H new ATOM 0 H3 GLY A 1 -11.571 16.023 -20.330 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -13.408 18.046 -20.420 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -11.978 17.935 -19.413 1.00 0.00 H new ATOM 8 N SER A 2 -12.202 20.291 -20.927 1.00 0.00 N ATOM 9 CA SER A 2 -11.695 21.489 -21.587 1.00 0.00 C ATOM 10 C SER A 2 -10.550 22.106 -20.789 1.00 0.00 C ATOM 11 O SER A 2 -10.760 22.664 -19.712 1.00 0.00 O ATOM 12 CB SER A 2 -12.819 22.513 -21.763 1.00 0.00 C ATOM 13 OG SER A 2 -13.859 21.993 -22.573 1.00 0.00 O ATOM 0 H SER A 2 -12.953 20.463 -20.258 1.00 0.00 H new ATOM 0 HA SER A 2 -11.317 21.202 -22.568 1.00 0.00 H new ATOM 0 HB2 SER A 2 -13.218 22.791 -20.788 1.00 0.00 H new ATOM 0 HB3 SER A 2 -12.421 23.421 -22.215 1.00 0.00 H new ATOM 0 HG SER A 2 -14.566 22.665 -22.669 1.00 0.00 H new ATOM 19 N SER A 3 -9.339 22.001 -21.327 1.00 0.00 N ATOM 20 CA SER A 3 -8.160 22.544 -20.665 1.00 0.00 C ATOM 21 C SER A 3 -7.191 23.139 -21.683 1.00 0.00 C ATOM 22 O SER A 3 -7.131 22.700 -22.830 1.00 0.00 O ATOM 23 CB SER A 3 -7.457 21.455 -19.852 1.00 0.00 C ATOM 24 OG SER A 3 -7.968 21.396 -18.531 1.00 0.00 O ATOM 0 H SER A 3 -9.149 21.545 -22.219 1.00 0.00 H new ATOM 0 HA SER A 3 -8.486 23.337 -19.992 1.00 0.00 H new ATOM 0 HB2 SER A 3 -7.589 20.489 -20.340 1.00 0.00 H new ATOM 0 HB3 SER A 3 -6.386 21.653 -19.823 1.00 0.00 H new ATOM 0 HG SER A 3 -7.504 20.692 -18.032 1.00 0.00 H new ATOM 30 N GLY A 4 -6.431 24.142 -21.252 1.00 0.00 N ATOM 31 CA GLY A 4 -5.476 24.782 -22.137 1.00 0.00 C ATOM 32 C GLY A 4 -4.616 25.804 -21.421 1.00 0.00 C ATOM 33 O GLY A 4 -4.911 26.999 -21.443 1.00 0.00 O ATOM 0 H GLY A 4 -6.460 24.522 -20.306 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -4.835 24.023 -22.585 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -6.011 25.269 -22.952 1.00 0.00 H new ATOM 37 N SER A 5 -3.550 25.333 -20.780 1.00 0.00 N ATOM 38 CA SER A 5 -2.647 26.215 -20.049 1.00 0.00 C ATOM 39 C SER A 5 -1.432 25.446 -19.537 1.00 0.00 C ATOM 40 O SER A 5 -1.510 24.740 -18.532 1.00 0.00 O ATOM 41 CB SER A 5 -3.379 26.872 -18.877 1.00 0.00 C ATOM 42 OG SER A 5 -4.017 28.071 -19.282 1.00 0.00 O ATOM 0 H SER A 5 -3.291 24.347 -20.752 1.00 0.00 H new ATOM 0 HA SER A 5 -2.303 26.990 -20.734 1.00 0.00 H new ATOM 0 HB2 SER A 5 -4.119 26.181 -18.473 1.00 0.00 H new ATOM 0 HB3 SER A 5 -2.671 27.086 -18.076 1.00 0.00 H new ATOM 0 HG SER A 5 -4.654 27.876 -20.000 1.00 0.00 H new ATOM 48 N SER A 6 -0.312 25.587 -20.238 1.00 0.00 N ATOM 49 CA SER A 6 0.918 24.903 -19.858 1.00 0.00 C ATOM 50 C SER A 6 1.511 25.514 -18.591 1.00 0.00 C ATOM 51 O SER A 6 1.262 26.676 -18.274 1.00 0.00 O ATOM 52 CB SER A 6 1.938 24.973 -20.996 1.00 0.00 C ATOM 53 OG SER A 6 2.635 23.747 -21.133 1.00 0.00 O ATOM 0 H SER A 6 -0.231 26.169 -21.072 1.00 0.00 H new ATOM 0 HA SER A 6 0.677 23.859 -19.659 1.00 0.00 H new ATOM 0 HB2 SER A 6 1.429 25.212 -21.930 1.00 0.00 H new ATOM 0 HB3 SER A 6 2.647 25.778 -20.804 1.00 0.00 H new ATOM 0 HG SER A 6 3.279 23.817 -21.868 1.00 0.00 H new ATOM 59 N GLY A 7 2.296 24.719 -17.870 1.00 0.00 N ATOM 60 CA GLY A 7 2.911 25.197 -16.645 1.00 0.00 C ATOM 61 C GLY A 7 4.325 24.681 -16.469 1.00 0.00 C ATOM 62 O GLY A 7 4.664 23.597 -16.943 1.00 0.00 O ATOM 0 H GLY A 7 2.517 23.753 -18.112 1.00 0.00 H new ATOM 0 HA2 GLY A 7 2.923 26.287 -16.649 1.00 0.00 H new ATOM 0 HA3 GLY A 7 2.306 24.888 -15.793 1.00 0.00 H new ATOM 66 N LYS A 8 5.156 25.462 -15.784 1.00 0.00 N ATOM 67 CA LYS A 8 6.543 25.079 -15.545 1.00 0.00 C ATOM 68 C LYS A 8 7.039 25.637 -14.214 1.00 0.00 C ATOM 69 O LYS A 8 7.714 26.664 -14.173 1.00 0.00 O ATOM 70 CB LYS A 8 7.435 25.579 -16.684 1.00 0.00 C ATOM 71 CG LYS A 8 7.553 24.599 -17.838 1.00 0.00 C ATOM 72 CD LYS A 8 8.555 25.077 -18.875 1.00 0.00 C ATOM 73 CE LYS A 8 7.891 25.317 -20.223 1.00 0.00 C ATOM 74 NZ LYS A 8 6.983 26.495 -20.192 1.00 0.00 N ATOM 0 H LYS A 8 4.893 26.363 -15.385 1.00 0.00 H new ATOM 0 HA LYS A 8 6.592 23.991 -15.504 1.00 0.00 H new ATOM 0 HB2 LYS A 8 7.037 26.522 -17.058 1.00 0.00 H new ATOM 0 HB3 LYS A 8 8.430 25.786 -16.291 1.00 0.00 H new ATOM 0 HG2 LYS A 8 7.858 23.624 -17.459 1.00 0.00 H new ATOM 0 HG3 LYS A 8 6.578 24.468 -18.307 1.00 0.00 H new ATOM 0 HD2 LYS A 8 9.025 25.998 -18.531 1.00 0.00 H new ATOM 0 HD3 LYS A 8 9.347 24.337 -18.985 1.00 0.00 H new ATOM 0 HE2 LYS A 8 8.657 25.469 -20.983 1.00 0.00 H new ATOM 0 HE3 LYS A 8 7.326 24.431 -20.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 6.550 26.625 -21.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 6.237 26.340 -19.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 7.526 27.346 -19.941 1.00 0.00 H new ATOM 88 N LYS A 9 6.701 24.951 -13.128 1.00 0.00 N ATOM 89 CA LYS A 9 7.113 25.375 -11.796 1.00 0.00 C ATOM 90 C LYS A 9 6.980 24.231 -10.795 1.00 0.00 C ATOM 91 O LYS A 9 6.142 23.341 -10.941 1.00 0.00 O ATOM 92 CB LYS A 9 6.276 26.569 -11.336 1.00 0.00 C ATOM 93 CG LYS A 9 6.939 27.912 -11.591 1.00 0.00 C ATOM 94 CD LYS A 9 6.922 28.788 -10.349 1.00 0.00 C ATOM 95 CE LYS A 9 8.174 29.644 -10.254 1.00 0.00 C ATOM 96 NZ LYS A 9 8.796 29.571 -8.902 1.00 0.00 N ATOM 0 H LYS A 9 6.142 24.098 -13.144 1.00 0.00 H new ATOM 0 HA LYS A 9 8.161 25.672 -11.845 1.00 0.00 H new ATOM 0 HB2 LYS A 9 5.314 26.546 -11.847 1.00 0.00 H new ATOM 0 HB3 LYS A 9 6.073 26.470 -10.270 1.00 0.00 H new ATOM 0 HG2 LYS A 9 7.969 27.755 -11.912 1.00 0.00 H new ATOM 0 HG3 LYS A 9 6.425 28.424 -12.405 1.00 0.00 H new ATOM 0 HD2 LYS A 9 6.041 29.430 -10.367 1.00 0.00 H new ATOM 0 HD3 LYS A 9 6.841 28.161 -9.461 1.00 0.00 H new ATOM 0 HE2 LYS A 9 8.895 29.317 -11.003 1.00 0.00 H new ATOM 0 HE3 LYS A 9 7.924 30.680 -10.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 9.647 30.168 -8.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 8.117 29.907 -8.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 9.058 28.587 -8.693 1.00 0.00 H new ATOM 110 N PRO A 10 7.824 24.254 -9.752 1.00 0.00 N ATOM 111 CA PRO A 10 7.818 23.228 -8.706 1.00 0.00 C ATOM 112 C PRO A 10 6.574 23.303 -7.827 1.00 0.00 C ATOM 113 O PRO A 10 6.296 22.390 -7.051 1.00 0.00 O ATOM 114 CB PRO A 10 9.070 23.548 -7.887 1.00 0.00 C ATOM 115 CG PRO A 10 9.308 25.002 -8.110 1.00 0.00 C ATOM 116 CD PRO A 10 8.847 25.286 -9.514 1.00 0.00 C ATOM 0 HA PRO A 10 7.811 22.221 -9.124 1.00 0.00 H new ATOM 0 HB2 PRO A 10 8.918 23.329 -6.830 1.00 0.00 H new ATOM 0 HB3 PRO A 10 9.921 22.952 -8.216 1.00 0.00 H new ATOM 0 HG2 PRO A 10 8.755 25.603 -7.388 1.00 0.00 H new ATOM 0 HG3 PRO A 10 10.363 25.248 -7.988 1.00 0.00 H new ATOM 0 HD2 PRO A 10 8.434 26.290 -9.606 1.00 0.00 H new ATOM 0 HD3 PRO A 10 9.667 25.212 -10.229 1.00 0.00 H new ATOM 124 N GLU A 11 5.829 24.397 -7.955 1.00 0.00 N ATOM 125 CA GLU A 11 4.614 24.590 -7.171 1.00 0.00 C ATOM 126 C GLU A 11 3.481 23.715 -7.699 1.00 0.00 C ATOM 127 O GLU A 11 2.951 22.868 -6.982 1.00 0.00 O ATOM 128 CB GLU A 11 4.192 26.061 -7.198 1.00 0.00 C ATOM 129 CG GLU A 11 4.715 26.865 -6.019 1.00 0.00 C ATOM 130 CD GLU A 11 4.886 28.336 -6.347 1.00 0.00 C ATOM 131 OE1 GLU A 11 5.036 28.663 -7.543 1.00 0.00 O ATOM 132 OE2 GLU A 11 4.872 29.159 -5.409 1.00 0.00 O ATOM 0 H GLU A 11 6.045 25.162 -8.594 1.00 0.00 H new ATOM 0 HA GLU A 11 4.826 24.299 -6.142 1.00 0.00 H new ATOM 0 HB2 GLU A 11 4.547 26.515 -8.123 1.00 0.00 H new ATOM 0 HB3 GLU A 11 3.104 26.118 -7.212 1.00 0.00 H new ATOM 0 HG2 GLU A 11 4.028 26.761 -5.179 1.00 0.00 H new ATOM 0 HG3 GLU A 11 5.673 26.454 -5.700 1.00 0.00 H new ATOM 139 N GLY A 12 3.115 23.927 -8.960 1.00 0.00 N ATOM 140 CA GLY A 12 2.047 23.151 -9.562 1.00 0.00 C ATOM 141 C GLY A 12 0.675 23.714 -9.250 1.00 0.00 C ATOM 142 O GLY A 12 0.275 24.739 -9.802 1.00 0.00 O ATOM 0 H GLY A 12 3.539 24.622 -9.575 1.00 0.00 H new ATOM 0 HA2 GLY A 12 2.187 23.122 -10.643 1.00 0.00 H new ATOM 0 HA3 GLY A 12 2.104 22.122 -9.206 1.00 0.00 H new ATOM 146 N LYS A 13 -0.050 23.042 -8.363 1.00 0.00 N ATOM 147 CA LYS A 13 -1.387 23.478 -7.977 1.00 0.00 C ATOM 148 C LYS A 13 -2.329 23.472 -9.177 1.00 0.00 C ATOM 149 O LYS A 13 -2.586 24.502 -9.800 1.00 0.00 O ATOM 150 CB LYS A 13 -1.331 24.881 -7.367 1.00 0.00 C ATOM 151 CG LYS A 13 -0.384 24.992 -6.184 1.00 0.00 C ATOM 152 CD LYS A 13 -0.842 26.060 -5.203 1.00 0.00 C ATOM 153 CE LYS A 13 0.340 26.806 -4.602 1.00 0.00 C ATOM 154 NZ LYS A 13 0.965 26.046 -3.484 1.00 0.00 N ATOM 0 H LYS A 13 0.266 22.192 -7.897 1.00 0.00 H new ATOM 0 HA LYS A 13 -1.770 22.779 -7.233 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -1.024 25.590 -8.136 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -2.333 25.170 -7.048 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -0.322 24.030 -5.674 1.00 0.00 H new ATOM 0 HG3 LYS A 13 0.619 25.229 -6.540 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -1.499 26.766 -5.712 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -1.426 25.598 -4.407 1.00 0.00 H new ATOM 0 HE2 LYS A 13 1.085 26.991 -5.376 1.00 0.00 H new ATOM 0 HE3 LYS A 13 0.009 27.779 -4.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 1.766 26.587 -3.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 0.262 25.891 -2.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 1.304 25.128 -3.835 1.00 0.00 H new ATOM 168 N PRO A 14 -2.857 22.284 -9.508 1.00 0.00 N ATOM 169 CA PRO A 14 -3.782 22.116 -10.634 1.00 0.00 C ATOM 170 C PRO A 14 -5.139 22.758 -10.370 1.00 0.00 C ATOM 171 O PRO A 14 -5.598 22.816 -9.230 1.00 0.00 O ATOM 172 CB PRO A 14 -3.921 20.596 -10.753 1.00 0.00 C ATOM 173 CG PRO A 14 -3.620 20.080 -9.389 1.00 0.00 C ATOM 174 CD PRO A 14 -2.595 21.016 -8.810 1.00 0.00 C ATOM 0 HA PRO A 14 -3.414 22.596 -11.541 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -4.925 20.314 -11.070 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -3.228 20.192 -11.491 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -4.519 20.056 -8.773 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -3.237 19.060 -9.433 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -2.710 21.120 -7.731 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -1.580 20.661 -8.989 1.00 0.00 H new ATOM 182 N ASP A 15 -5.777 23.238 -11.432 1.00 0.00 N ATOM 183 CA ASP A 15 -7.084 23.874 -11.316 1.00 0.00 C ATOM 184 C ASP A 15 -8.140 22.869 -10.866 1.00 0.00 C ATOM 185 O ASP A 15 -7.906 21.661 -10.882 1.00 0.00 O ATOM 186 CB ASP A 15 -7.493 24.497 -12.652 1.00 0.00 C ATOM 187 CG ASP A 15 -7.058 25.945 -12.772 1.00 0.00 C ATOM 188 OD1 ASP A 15 -5.924 26.188 -13.236 1.00 0.00 O ATOM 189 OD2 ASP A 15 -7.852 26.834 -12.402 1.00 0.00 O ATOM 0 H ASP A 15 -5.410 23.199 -12.383 1.00 0.00 H new ATOM 0 HA ASP A 15 -7.012 24.660 -10.564 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -7.056 23.920 -13.467 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -8.576 24.435 -12.762 1.00 0.00 H new ATOM 194 N GLN A 16 -9.301 23.377 -10.465 1.00 0.00 N ATOM 195 CA GLN A 16 -10.391 22.523 -10.009 1.00 0.00 C ATOM 196 C GLN A 16 -11.183 21.973 -11.191 1.00 0.00 C ATOM 197 O GLN A 16 -11.421 22.677 -12.173 1.00 0.00 O ATOM 198 CB GLN A 16 -11.319 23.300 -9.075 1.00 0.00 C ATOM 199 CG GLN A 16 -11.873 24.576 -9.690 1.00 0.00 C ATOM 200 CD GLN A 16 -12.761 25.348 -8.735 1.00 0.00 C ATOM 201 OE1 GLN A 16 -12.289 25.905 -7.743 1.00 0.00 O ATOM 202 NE2 GLN A 16 -14.056 25.385 -9.028 1.00 0.00 N ATOM 0 H GLN A 16 -9.511 24.375 -10.447 1.00 0.00 H new ATOM 0 HA GLN A 16 -9.958 21.684 -9.464 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -12.149 22.657 -8.784 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -10.776 23.552 -8.164 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -11.045 25.212 -10.005 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -12.441 24.326 -10.586 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -14.404 24.909 -9.860 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -14.702 25.889 -8.421 1.00 0.00 H new ATOM 211 N LYS A 17 -11.589 20.712 -11.090 1.00 0.00 N ATOM 212 CA LYS A 17 -12.356 20.067 -12.149 1.00 0.00 C ATOM 213 C LYS A 17 -13.822 19.930 -11.754 1.00 0.00 C ATOM 214 O LYS A 17 -14.706 20.493 -12.402 1.00 0.00 O ATOM 215 CB LYS A 17 -11.771 18.689 -12.463 1.00 0.00 C ATOM 216 CG LYS A 17 -10.593 18.731 -13.422 1.00 0.00 C ATOM 217 CD LYS A 17 -10.927 18.066 -14.746 1.00 0.00 C ATOM 218 CE LYS A 17 -10.290 18.801 -15.915 1.00 0.00 C ATOM 219 NZ LYS A 17 -10.222 17.950 -17.135 1.00 0.00 N ATOM 0 H LYS A 17 -11.399 20.116 -10.284 1.00 0.00 H new ATOM 0 HA LYS A 17 -12.295 20.693 -13.039 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -11.454 18.218 -11.533 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -12.553 18.060 -12.889 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -10.302 19.767 -13.597 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -9.736 18.232 -12.969 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -10.581 17.032 -14.733 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -12.009 18.039 -14.878 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -10.863 19.702 -16.133 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -9.285 19.121 -15.639 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -9.782 18.487 -17.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -9.654 17.102 -16.935 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -11.183 17.666 -17.414 1.00 0.00 H new ATOM 233 N PHE A 18 -14.075 19.183 -10.686 1.00 0.00 N ATOM 234 CA PHE A 18 -15.436 18.972 -10.204 1.00 0.00 C ATOM 235 C PHE A 18 -16.270 18.222 -11.238 1.00 0.00 C ATOM 236 O PHE A 18 -16.487 18.710 -12.348 1.00 0.00 O ATOM 237 CB PHE A 18 -16.095 20.313 -9.875 1.00 0.00 C ATOM 238 CG PHE A 18 -16.654 20.381 -8.482 1.00 0.00 C ATOM 239 CD1 PHE A 18 -15.816 20.301 -7.381 1.00 0.00 C ATOM 240 CD2 PHE A 18 -18.016 20.526 -8.274 1.00 0.00 C ATOM 241 CE1 PHE A 18 -16.328 20.362 -6.099 1.00 0.00 C ATOM 242 CE2 PHE A 18 -18.533 20.588 -6.994 1.00 0.00 C ATOM 243 CZ PHE A 18 -17.688 20.507 -5.905 1.00 0.00 C ATOM 0 H PHE A 18 -13.356 18.713 -10.137 1.00 0.00 H new ATOM 0 HA PHE A 18 -15.385 18.367 -9.298 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -15.362 21.110 -10.003 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -16.897 20.499 -10.589 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -14.752 20.190 -7.527 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -18.681 20.591 -9.122 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -15.665 20.296 -5.249 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -19.597 20.700 -6.846 1.00 0.00 H new ATOM 0 HZ PHE A 18 -18.089 20.557 -4.904 1.00 0.00 H new ATOM 253 N ASP A 19 -16.734 17.035 -10.866 1.00 0.00 N ATOM 254 CA ASP A 19 -17.545 16.216 -11.761 1.00 0.00 C ATOM 255 C ASP A 19 -17.879 14.874 -11.117 1.00 0.00 C ATOM 256 O ASP A 19 -17.078 14.323 -10.362 1.00 0.00 O ATOM 257 CB ASP A 19 -16.813 15.993 -13.085 1.00 0.00 C ATOM 258 CG ASP A 19 -17.707 16.227 -14.288 1.00 0.00 C ATOM 259 OD1 ASP A 19 -18.143 17.379 -14.486 1.00 0.00 O ATOM 260 OD2 ASP A 19 -17.971 15.257 -15.029 1.00 0.00 O ATOM 0 H ASP A 19 -16.563 16.618 -9.951 1.00 0.00 H new ATOM 0 HA ASP A 19 -18.477 16.747 -11.955 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -15.954 16.662 -13.139 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -16.426 14.974 -13.116 1.00 0.00 H new ATOM 265 N GLN A 20 -19.064 14.357 -11.420 1.00 0.00 N ATOM 266 CA GLN A 20 -19.503 13.081 -10.870 1.00 0.00 C ATOM 267 C GLN A 20 -18.887 11.915 -11.637 1.00 0.00 C ATOM 268 O GLN A 20 -19.049 10.755 -11.259 1.00 0.00 O ATOM 269 CB GLN A 20 -21.030 12.983 -10.910 1.00 0.00 C ATOM 270 CG GLN A 20 -21.608 13.055 -12.313 1.00 0.00 C ATOM 271 CD GLN A 20 -22.769 14.024 -12.418 1.00 0.00 C ATOM 272 OE1 GLN A 20 -23.267 14.524 -11.409 1.00 0.00 O ATOM 273 NE2 GLN A 20 -23.206 14.294 -13.642 1.00 0.00 N ATOM 0 H GLN A 20 -19.738 14.802 -12.043 1.00 0.00 H new ATOM 0 HA GLN A 20 -19.169 13.027 -9.834 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -21.338 12.045 -10.447 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -21.453 13.789 -10.310 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -20.825 13.356 -13.009 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -21.940 12.062 -12.616 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -22.763 13.856 -14.450 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -23.985 14.939 -13.775 1.00 0.00 H new ATOM 282 N LYS A 21 -18.179 12.232 -12.715 1.00 0.00 N ATOM 283 CA LYS A 21 -17.537 11.212 -13.536 1.00 0.00 C ATOM 284 C LYS A 21 -16.631 11.849 -14.584 1.00 0.00 C ATOM 285 O LYS A 21 -17.088 12.625 -15.423 1.00 0.00 O ATOM 286 CB LYS A 21 -18.592 10.340 -14.220 1.00 0.00 C ATOM 287 CG LYS A 21 -18.377 8.850 -14.013 1.00 0.00 C ATOM 288 CD LYS A 21 -18.762 8.054 -15.248 1.00 0.00 C ATOM 289 CE LYS A 21 -18.617 6.558 -15.015 1.00 0.00 C ATOM 290 NZ LYS A 21 -17.195 6.121 -15.082 1.00 0.00 N ATOM 0 H LYS A 21 -18.035 13.188 -13.041 1.00 0.00 H new ATOM 0 HA LYS A 21 -16.926 10.588 -12.884 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -19.577 10.612 -13.842 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -18.591 10.554 -15.289 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -17.331 8.663 -13.770 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -18.968 8.511 -13.162 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -19.792 8.282 -15.523 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -18.134 8.355 -16.087 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -19.030 6.301 -14.040 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -19.199 6.016 -15.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -17.139 5.096 -14.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -16.807 6.343 -16.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -16.644 6.619 -14.354 1.00 0.00 H new ATOM 304 N GLN A 22 -15.345 11.514 -14.531 1.00 0.00 N ATOM 305 CA GLN A 22 -14.376 12.054 -15.478 1.00 0.00 C ATOM 306 C GLN A 22 -12.990 11.467 -15.231 1.00 0.00 C ATOM 307 O GLN A 22 -12.331 10.999 -16.159 1.00 0.00 O ATOM 308 CB GLN A 22 -14.324 13.579 -15.373 1.00 0.00 C ATOM 309 CG GLN A 22 -14.022 14.269 -16.693 1.00 0.00 C ATOM 310 CD GLN A 22 -14.595 15.671 -16.764 1.00 0.00 C ATOM 311 OE1 GLN A 22 -14.674 16.373 -15.755 1.00 0.00 O ATOM 312 NE2 GLN A 22 -15.000 16.085 -17.958 1.00 0.00 N ATOM 0 H GLN A 22 -14.951 10.872 -13.843 1.00 0.00 H new ATOM 0 HA GLN A 22 -14.694 11.778 -16.483 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -15.279 13.942 -14.993 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -13.564 13.859 -14.644 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -12.942 14.314 -16.836 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -14.427 13.673 -17.511 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -14.916 15.469 -18.767 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -15.396 17.019 -18.067 1.00 0.00 H new ATOM 321 N GLU A 23 -12.555 11.497 -13.976 1.00 0.00 N ATOM 322 CA GLU A 23 -11.246 10.969 -13.609 1.00 0.00 C ATOM 323 C GLU A 23 -11.130 10.805 -12.096 1.00 0.00 C ATOM 324 O GLU A 23 -11.293 11.766 -11.342 1.00 0.00 O ATOM 325 CB GLU A 23 -10.137 11.892 -14.120 1.00 0.00 C ATOM 326 CG GLU A 23 -8.739 11.415 -13.769 1.00 0.00 C ATOM 327 CD GLU A 23 -7.669 12.069 -14.620 1.00 0.00 C ATOM 328 OE1 GLU A 23 -7.823 13.263 -14.954 1.00 0.00 O ATOM 329 OE2 GLU A 23 -6.676 11.387 -14.952 1.00 0.00 O ATOM 0 H GLU A 23 -13.089 11.881 -13.196 1.00 0.00 H new ATOM 0 HA GLU A 23 -11.135 9.989 -14.073 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -10.220 11.981 -15.203 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -10.286 12.889 -13.706 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -8.541 11.625 -12.718 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -8.686 10.333 -13.893 1.00 0.00 H new ATOM 336 N LEU A 24 -10.848 9.583 -11.659 1.00 0.00 N ATOM 337 CA LEU A 24 -10.710 9.292 -10.236 1.00 0.00 C ATOM 338 C LEU A 24 -9.299 8.811 -9.913 1.00 0.00 C ATOM 339 O LEU A 24 -8.763 7.931 -10.586 1.00 0.00 O ATOM 340 CB LEU A 24 -11.731 8.236 -9.810 1.00 0.00 C ATOM 341 CG LEU A 24 -13.198 8.666 -9.852 1.00 0.00 C ATOM 342 CD1 LEU A 24 -14.033 7.647 -10.612 1.00 0.00 C ATOM 343 CD2 LEU A 24 -13.740 8.856 -8.442 1.00 0.00 C ATOM 0 H LEU A 24 -10.710 8.777 -12.269 1.00 0.00 H new ATOM 0 HA LEU A 24 -10.896 10.212 -9.682 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -11.610 7.363 -10.452 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -11.495 7.920 -8.794 1.00 0.00 H new ATOM 0 HG LEU A 24 -13.261 9.620 -10.376 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -15.074 7.971 -10.631 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -13.661 7.561 -11.633 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -13.963 6.678 -10.118 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -14.785 9.162 -8.492 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -13.662 7.918 -7.893 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -13.161 9.625 -7.930 1.00 0.00 H new ATOM 355 N GLY A 25 -8.704 9.393 -8.876 1.00 0.00 N ATOM 356 CA GLY A 25 -7.361 9.009 -8.481 1.00 0.00 C ATOM 357 C GLY A 25 -7.319 7.640 -7.830 1.00 0.00 C ATOM 358 O GLY A 25 -8.003 7.395 -6.836 1.00 0.00 O ATOM 0 H GLY A 25 -9.127 10.123 -8.303 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -6.713 9.012 -9.357 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -6.963 9.750 -7.788 1.00 0.00 H new ATOM 362 N ARG A 26 -6.512 6.746 -8.392 1.00 0.00 N ATOM 363 CA ARG A 26 -6.385 5.393 -7.862 1.00 0.00 C ATOM 364 C ARG A 26 -4.979 5.152 -7.320 1.00 0.00 C ATOM 365 O ARG A 26 -4.035 4.947 -8.083 1.00 0.00 O ATOM 366 CB ARG A 26 -6.709 4.365 -8.947 1.00 0.00 C ATOM 367 CG ARG A 26 -8.128 4.467 -9.480 1.00 0.00 C ATOM 368 CD ARG A 26 -8.168 4.310 -10.992 1.00 0.00 C ATOM 369 NE ARG A 26 -9.505 4.540 -11.531 1.00 0.00 N ATOM 370 CZ ARG A 26 -9.754 4.738 -12.821 1.00 0.00 C ATOM 371 NH1 ARG A 26 -8.761 4.733 -13.699 1.00 0.00 N ATOM 372 NH2 ARG A 26 -10.999 4.940 -13.235 1.00 0.00 N ATOM 0 H ARG A 26 -5.937 6.934 -9.213 1.00 0.00 H new ATOM 0 HA ARG A 26 -7.095 5.282 -7.043 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -6.010 4.490 -9.774 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -6.552 3.364 -8.545 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -8.748 3.699 -9.017 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -8.554 5.431 -9.202 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -7.468 5.010 -11.448 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -7.836 3.307 -11.261 1.00 0.00 H new ATOM 0 HE ARG A 26 -10.291 4.549 -10.881 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -7.803 4.577 -13.385 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -8.955 4.885 -14.689 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -11.766 4.943 -12.562 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -11.189 5.092 -14.226 1.00 0.00 H new ATOM 386 N VAL A 27 -4.847 5.179 -5.998 1.00 0.00 N ATOM 387 CA VAL A 27 -3.558 4.962 -5.354 1.00 0.00 C ATOM 388 C VAL A 27 -3.689 4.019 -4.163 1.00 0.00 C ATOM 389 O VAL A 27 -4.425 4.297 -3.217 1.00 0.00 O ATOM 390 CB VAL A 27 -2.939 6.290 -4.877 1.00 0.00 C ATOM 391 CG1 VAL A 27 -1.799 6.029 -3.903 1.00 0.00 C ATOM 392 CG2 VAL A 27 -2.458 7.110 -6.065 1.00 0.00 C ATOM 0 H VAL A 27 -5.618 5.349 -5.352 1.00 0.00 H new ATOM 0 HA VAL A 27 -2.904 4.511 -6.100 1.00 0.00 H new ATOM 0 HB VAL A 27 -3.707 6.862 -4.356 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -1.374 6.978 -3.577 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -2.177 5.485 -3.038 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -1.028 5.437 -4.396 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -2.024 8.045 -5.710 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -1.705 6.546 -6.615 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -3.300 7.328 -6.722 1.00 0.00 H new ATOM 402 N ILE A 28 -2.970 2.903 -4.217 1.00 0.00 N ATOM 403 CA ILE A 28 -3.004 1.919 -3.143 1.00 0.00 C ATOM 404 C ILE A 28 -1.963 2.235 -2.074 1.00 0.00 C ATOM 405 O ILE A 28 -0.761 2.120 -2.312 1.00 0.00 O ATOM 406 CB ILE A 28 -2.762 0.495 -3.675 1.00 0.00 C ATOM 407 CG1 ILE A 28 -3.828 0.125 -4.709 1.00 0.00 C ATOM 408 CG2 ILE A 28 -2.758 -0.506 -2.529 1.00 0.00 C ATOM 409 CD1 ILE A 28 -5.136 -0.320 -4.095 1.00 0.00 C ATOM 0 H ILE A 28 -2.356 2.658 -4.994 1.00 0.00 H new ATOM 0 HA ILE A 28 -4.000 1.968 -2.702 1.00 0.00 H new ATOM 0 HB ILE A 28 -1.786 0.466 -4.160 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -4.012 0.985 -5.353 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -3.444 -0.673 -5.345 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -2.586 -1.508 -2.922 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -1.965 -0.251 -1.826 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -3.720 -0.477 -2.017 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -5.844 -0.566 -4.886 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -4.966 -1.199 -3.474 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -5.542 0.484 -3.482 1.00 0.00 H new ATOM 421 N HIS A 29 -2.433 2.630 -0.895 1.00 0.00 N ATOM 422 CA HIS A 29 -1.542 2.960 0.211 1.00 0.00 C ATOM 423 C HIS A 29 -1.164 1.708 0.995 1.00 0.00 C ATOM 424 O HIS A 29 -2.030 0.993 1.500 1.00 0.00 O ATOM 425 CB HIS A 29 -2.205 3.978 1.141 1.00 0.00 C ATOM 426 CG HIS A 29 -1.229 4.757 1.968 1.00 0.00 C ATOM 427 ND1 HIS A 29 -1.597 5.828 2.756 1.00 0.00 N ATOM 428 CD2 HIS A 29 0.107 4.615 2.131 1.00 0.00 C ATOM 429 CE1 HIS A 29 -0.529 6.312 3.364 1.00 0.00 C ATOM 430 NE2 HIS A 29 0.519 5.592 3.002 1.00 0.00 N ATOM 0 H HIS A 29 -3.425 2.729 -0.681 1.00 0.00 H new ATOM 0 HA HIS A 29 -0.633 3.396 -0.204 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -2.798 4.671 0.544 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -2.896 3.457 1.804 1.00 0.00 H new ATOM 0 HD2 HIS A 29 0.733 3.870 1.662 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -0.514 7.153 4.042 1.00 0.00 H new ATOM 0 HE2 HIS A 29 1.477 5.739 3.319 1.00 0.00 H new ATOM 438 N LEU A 30 0.136 1.447 1.093 1.00 0.00 N ATOM 439 CA LEU A 30 0.630 0.280 1.815 1.00 0.00 C ATOM 440 C LEU A 30 1.526 0.697 2.977 1.00 0.00 C ATOM 441 O LEU A 30 2.618 1.226 2.772 1.00 0.00 O ATOM 442 CB LEU A 30 1.399 -0.642 0.869 1.00 0.00 C ATOM 443 CG LEU A 30 0.599 -1.227 -0.296 1.00 0.00 C ATOM 444 CD1 LEU A 30 1.456 -1.299 -1.551 1.00 0.00 C ATOM 445 CD2 LEU A 30 0.061 -2.604 0.064 1.00 0.00 C ATOM 0 H LEU A 30 0.866 2.028 0.681 1.00 0.00 H new ATOM 0 HA LEU A 30 -0.229 -0.257 2.217 1.00 0.00 H new ATOM 0 HB2 LEU A 30 2.244 -0.088 0.461 1.00 0.00 H new ATOM 0 HB3 LEU A 30 1.810 -1.466 1.452 1.00 0.00 H new ATOM 0 HG LEU A 30 -0.247 -0.569 -0.496 1.00 0.00 H new ATOM 0 HD11 LEU A 30 0.869 -1.718 -2.369 1.00 0.00 H new ATOM 0 HD12 LEU A 30 1.791 -0.297 -1.821 1.00 0.00 H new ATOM 0 HD13 LEU A 30 2.322 -1.933 -1.364 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -0.505 -3.005 -0.777 1.00 0.00 H new ATOM 0 HD22 LEU A 30 0.892 -3.271 0.292 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -0.590 -2.524 0.935 1.00 0.00 H new ATOM 457 N SER A 31 1.057 0.455 4.196 1.00 0.00 N ATOM 458 CA SER A 31 1.816 0.806 5.391 1.00 0.00 C ATOM 459 C SER A 31 2.227 -0.445 6.162 1.00 0.00 C ATOM 460 O SER A 31 1.684 -1.527 5.945 1.00 0.00 O ATOM 461 CB SER A 31 0.991 1.727 6.293 1.00 0.00 C ATOM 462 OG SER A 31 0.849 3.013 5.716 1.00 0.00 O ATOM 0 H SER A 31 0.155 0.017 4.383 1.00 0.00 H new ATOM 0 HA SER A 31 2.719 1.330 5.077 1.00 0.00 H new ATOM 0 HB2 SER A 31 0.007 1.290 6.461 1.00 0.00 H new ATOM 0 HB3 SER A 31 1.472 1.813 7.267 1.00 0.00 H new ATOM 0 HG SER A 31 0.317 3.581 6.311 1.00 0.00 H new ATOM 468 N ASN A 32 3.191 -0.286 7.063 1.00 0.00 N ATOM 469 CA ASN A 32 3.677 -1.403 7.867 1.00 0.00 C ATOM 470 C ASN A 32 4.379 -2.437 6.993 1.00 0.00 C ATOM 471 O ASN A 32 4.220 -3.642 7.189 1.00 0.00 O ATOM 472 CB ASN A 32 2.516 -2.058 8.619 1.00 0.00 C ATOM 473 CG ASN A 32 2.980 -2.819 9.847 1.00 0.00 C ATOM 474 OD1 ASN A 32 3.675 -2.273 10.704 1.00 0.00 O ATOM 475 ND2 ASN A 32 2.596 -4.088 9.937 1.00 0.00 N ATOM 0 H ASN A 32 3.651 0.604 7.255 1.00 0.00 H new ATOM 0 HA ASN A 32 4.396 -1.015 8.588 1.00 0.00 H new ATOM 0 HB2 ASN A 32 1.802 -1.291 8.918 1.00 0.00 H new ATOM 0 HB3 ASN A 32 1.991 -2.739 7.949 1.00 0.00 H new ATOM 0 HD21 ASN A 32 2.877 -4.650 10.740 1.00 0.00 H new ATOM 0 HD22 ASN A 32 2.020 -4.500 9.203 1.00 0.00 H new ATOM 482 N LEU A 33 5.158 -1.958 6.030 1.00 0.00 N ATOM 483 CA LEU A 33 5.887 -2.840 5.125 1.00 0.00 C ATOM 484 C LEU A 33 7.163 -3.356 5.780 1.00 0.00 C ATOM 485 O LEU A 33 7.722 -2.735 6.684 1.00 0.00 O ATOM 486 CB LEU A 33 6.227 -2.105 3.827 1.00 0.00 C ATOM 487 CG LEU A 33 5.051 -1.809 2.897 1.00 0.00 C ATOM 488 CD1 LEU A 33 5.505 -0.965 1.715 1.00 0.00 C ATOM 489 CD2 LEU A 33 4.413 -3.103 2.415 1.00 0.00 C ATOM 0 H LEU A 33 5.301 -0.963 5.855 1.00 0.00 H new ATOM 0 HA LEU A 33 5.248 -3.692 4.895 1.00 0.00 H new ATOM 0 HB2 LEU A 33 6.709 -1.161 4.083 1.00 0.00 H new ATOM 0 HB3 LEU A 33 6.958 -2.698 3.278 1.00 0.00 H new ATOM 0 HG LEU A 33 4.304 -1.245 3.456 1.00 0.00 H new ATOM 0 HD11 LEU A 33 4.655 -0.764 1.063 1.00 0.00 H new ATOM 0 HD12 LEU A 33 5.915 -0.022 2.077 1.00 0.00 H new ATOM 0 HD13 LEU A 33 6.271 -1.503 1.156 1.00 0.00 H new ATOM 0 HD21 LEU A 33 3.577 -2.873 1.754 1.00 0.00 H new ATOM 0 HD22 LEU A 33 5.152 -3.693 1.873 1.00 0.00 H new ATOM 0 HD23 LEU A 33 4.052 -3.672 3.272 1.00 0.00 H new ATOM 501 N PRO A 34 7.640 -4.520 5.314 1.00 0.00 N ATOM 502 CA PRO A 34 8.858 -5.145 5.838 1.00 0.00 C ATOM 503 C PRO A 34 10.115 -4.368 5.463 1.00 0.00 C ATOM 504 O PRO A 34 10.042 -3.208 5.055 1.00 0.00 O ATOM 505 CB PRO A 34 8.864 -6.524 5.174 1.00 0.00 C ATOM 506 CG PRO A 34 8.076 -6.345 3.923 1.00 0.00 C ATOM 507 CD PRO A 34 7.025 -5.316 4.238 1.00 0.00 C ATOM 0 HA PRO A 34 8.861 -5.182 6.927 1.00 0.00 H new ATOM 0 HB2 PRO A 34 9.880 -6.855 4.958 1.00 0.00 H new ATOM 0 HB3 PRO A 34 8.414 -7.277 5.821 1.00 0.00 H new ATOM 0 HG2 PRO A 34 8.714 -6.013 3.104 1.00 0.00 H new ATOM 0 HG3 PRO A 34 7.621 -7.285 3.611 1.00 0.00 H new ATOM 0 HD2 PRO A 34 6.790 -4.702 3.368 1.00 0.00 H new ATOM 0 HD3 PRO A 34 6.093 -5.779 4.563 1.00 0.00 H new ATOM 515 N HIS A 35 11.269 -5.014 5.601 1.00 0.00 N ATOM 516 CA HIS A 35 12.543 -4.384 5.275 1.00 0.00 C ATOM 517 C HIS A 35 13.688 -5.387 5.379 1.00 0.00 C ATOM 518 O HIS A 35 14.630 -5.191 6.147 1.00 0.00 O ATOM 519 CB HIS A 35 12.801 -3.198 6.205 1.00 0.00 C ATOM 520 CG HIS A 35 12.402 -1.879 5.620 1.00 0.00 C ATOM 521 ND1 HIS A 35 11.589 -0.979 6.277 1.00 0.00 N ATOM 522 CD2 HIS A 35 12.709 -1.308 4.433 1.00 0.00 C ATOM 523 CE1 HIS A 35 11.411 0.086 5.518 1.00 0.00 C ATOM 524 NE2 HIS A 35 12.081 -0.086 4.393 1.00 0.00 N ATOM 0 H HIS A 35 11.347 -5.974 5.937 1.00 0.00 H new ATOM 0 HA HIS A 35 12.491 -4.026 4.247 1.00 0.00 H new ATOM 0 HB2 HIS A 35 12.256 -3.352 7.136 1.00 0.00 H new ATOM 0 HB3 HIS A 35 13.861 -3.168 6.457 1.00 0.00 H new ATOM 0 HD1 HIS A 35 11.188 -1.115 7.205 1.00 0.00 H new ATOM 0 HD2 HIS A 35 13.332 -1.733 3.660 1.00 0.00 H new ATOM 0 HE1 HIS A 35 10.818 0.952 5.774 1.00 0.00 H new ATOM 532 N SER A 36 13.599 -6.461 4.602 1.00 0.00 N ATOM 533 CA SER A 36 14.625 -7.497 4.609 1.00 0.00 C ATOM 534 C SER A 36 15.419 -7.486 3.307 1.00 0.00 C ATOM 535 O SER A 36 16.065 -8.470 2.952 1.00 0.00 O ATOM 536 CB SER A 36 13.990 -8.872 4.821 1.00 0.00 C ATOM 537 OG SER A 36 14.334 -9.404 6.089 1.00 0.00 O ATOM 0 H SER A 36 12.827 -6.637 3.959 1.00 0.00 H new ATOM 0 HA SER A 36 15.309 -7.290 5.432 1.00 0.00 H new ATOM 0 HB2 SER A 36 12.906 -8.792 4.739 1.00 0.00 H new ATOM 0 HB3 SER A 36 14.319 -9.553 4.036 1.00 0.00 H new ATOM 0 HG SER A 36 13.914 -10.282 6.200 1.00 0.00 H new ATOM 543 N GLY A 37 15.364 -6.362 2.598 1.00 0.00 N ATOM 544 CA GLY A 37 16.082 -6.242 1.341 1.00 0.00 C ATOM 545 C GLY A 37 15.328 -6.865 0.182 1.00 0.00 C ATOM 546 O GLY A 37 15.921 -7.533 -0.665 1.00 0.00 O ATOM 0 H GLY A 37 14.836 -5.533 2.871 1.00 0.00 H new ATOM 0 HA2 GLY A 37 16.263 -5.188 1.128 1.00 0.00 H new ATOM 0 HA3 GLY A 37 17.057 -6.720 1.436 1.00 0.00 H new ATOM 550 N TYR A 38 14.019 -6.646 0.144 1.00 0.00 N ATOM 551 CA TYR A 38 13.183 -7.195 -0.917 1.00 0.00 C ATOM 552 C TYR A 38 13.101 -6.231 -2.098 1.00 0.00 C ATOM 553 O TYR A 38 13.419 -5.049 -1.973 1.00 0.00 O ATOM 554 CB TYR A 38 11.778 -7.491 -0.389 1.00 0.00 C ATOM 555 CG TYR A 38 11.117 -6.303 0.273 1.00 0.00 C ATOM 556 CD1 TYR A 38 11.326 -6.027 1.618 1.00 0.00 C ATOM 557 CD2 TYR A 38 10.283 -5.458 -0.448 1.00 0.00 C ATOM 558 CE1 TYR A 38 10.724 -4.944 2.227 1.00 0.00 C ATOM 559 CE2 TYR A 38 9.677 -4.371 0.152 1.00 0.00 C ATOM 560 CZ TYR A 38 9.901 -4.118 1.490 1.00 0.00 C ATOM 561 OH TYR A 38 9.298 -3.037 2.092 1.00 0.00 O ATOM 0 H TYR A 38 13.513 -6.092 0.835 1.00 0.00 H new ATOM 0 HA TYR A 38 13.638 -8.125 -1.259 1.00 0.00 H new ATOM 0 HB2 TYR A 38 11.153 -7.831 -1.215 1.00 0.00 H new ATOM 0 HB3 TYR A 38 11.833 -8.311 0.327 1.00 0.00 H new ATOM 0 HD1 TYR A 38 11.971 -6.671 2.198 1.00 0.00 H new ATOM 0 HD2 TYR A 38 10.105 -5.654 -1.495 1.00 0.00 H new ATOM 0 HE1 TYR A 38 10.896 -4.745 3.274 1.00 0.00 H new ATOM 0 HE2 TYR A 38 9.032 -3.723 -0.423 1.00 0.00 H new ATOM 0 HH TYR A 38 9.492 -3.047 3.052 1.00 0.00 H new ATOM 571 N SER A 39 12.671 -6.748 -3.245 1.00 0.00 N ATOM 572 CA SER A 39 12.549 -5.936 -4.451 1.00 0.00 C ATOM 573 C SER A 39 11.139 -5.364 -4.581 1.00 0.00 C ATOM 574 O SER A 39 10.160 -6.007 -4.202 1.00 0.00 O ATOM 575 CB SER A 39 12.889 -6.768 -5.688 1.00 0.00 C ATOM 576 OG SER A 39 14.040 -6.262 -6.341 1.00 0.00 O ATOM 0 H SER A 39 12.401 -7.724 -3.365 1.00 0.00 H new ATOM 0 HA SER A 39 13.253 -5.108 -4.374 1.00 0.00 H new ATOM 0 HB2 SER A 39 13.058 -7.805 -5.398 1.00 0.00 H new ATOM 0 HB3 SER A 39 12.044 -6.763 -6.377 1.00 0.00 H new ATOM 0 HG SER A 39 14.238 -6.812 -7.128 1.00 0.00 H new ATOM 582 N ASP A 40 11.047 -4.153 -5.118 1.00 0.00 N ATOM 583 CA ASP A 40 9.759 -3.494 -5.299 1.00 0.00 C ATOM 584 C ASP A 40 8.698 -4.490 -5.758 1.00 0.00 C ATOM 585 O ASP A 40 7.589 -4.519 -5.224 1.00 0.00 O ATOM 586 CB ASP A 40 9.882 -2.358 -6.315 1.00 0.00 C ATOM 587 CG ASP A 40 10.230 -2.857 -7.704 1.00 0.00 C ATOM 588 OD1 ASP A 40 9.299 -3.205 -8.459 1.00 0.00 O ATOM 589 OD2 ASP A 40 11.434 -2.903 -8.034 1.00 0.00 O ATOM 0 H ASP A 40 11.848 -3.608 -5.436 1.00 0.00 H new ATOM 0 HA ASP A 40 9.452 -3.081 -4.338 1.00 0.00 H new ATOM 0 HB2 ASP A 40 8.942 -1.807 -6.355 1.00 0.00 H new ATOM 0 HB3 ASP A 40 10.648 -1.658 -5.981 1.00 0.00 H new ATOM 594 N SER A 41 9.047 -5.304 -6.748 1.00 0.00 N ATOM 595 CA SER A 41 8.124 -6.298 -7.283 1.00 0.00 C ATOM 596 C SER A 41 7.353 -6.984 -6.157 1.00 0.00 C ATOM 597 O SER A 41 6.128 -7.086 -6.202 1.00 0.00 O ATOM 598 CB SER A 41 8.883 -7.341 -8.105 1.00 0.00 C ATOM 599 OG SER A 41 8.560 -7.238 -9.481 1.00 0.00 O ATOM 0 H SER A 41 9.963 -5.295 -7.197 1.00 0.00 H new ATOM 0 HA SER A 41 7.412 -5.785 -7.929 1.00 0.00 H new ATOM 0 HB2 SER A 41 9.956 -7.206 -7.969 1.00 0.00 H new ATOM 0 HB3 SER A 41 8.639 -8.340 -7.745 1.00 0.00 H new ATOM 0 HG SER A 41 9.059 -7.914 -9.986 1.00 0.00 H new ATOM 605 N ALA A 42 8.083 -7.451 -5.150 1.00 0.00 N ATOM 606 CA ALA A 42 7.469 -8.125 -4.012 1.00 0.00 C ATOM 607 C ALA A 42 6.298 -7.319 -3.463 1.00 0.00 C ATOM 608 O ALA A 42 5.286 -7.882 -3.044 1.00 0.00 O ATOM 609 CB ALA A 42 8.504 -8.366 -2.921 1.00 0.00 C ATOM 0 H ALA A 42 9.099 -7.375 -5.099 1.00 0.00 H new ATOM 0 HA ALA A 42 7.086 -9.086 -4.354 1.00 0.00 H new ATOM 0 HB1 ALA A 42 8.033 -8.870 -2.077 1.00 0.00 H new ATOM 0 HB2 ALA A 42 9.308 -8.989 -3.313 1.00 0.00 H new ATOM 0 HB3 ALA A 42 8.914 -7.411 -2.591 1.00 0.00 H new ATOM 615 N VAL A 43 6.441 -5.997 -3.465 1.00 0.00 N ATOM 616 CA VAL A 43 5.394 -5.113 -2.967 1.00 0.00 C ATOM 617 C VAL A 43 4.269 -4.967 -3.986 1.00 0.00 C ATOM 618 O VAL A 43 3.123 -4.690 -3.626 1.00 0.00 O ATOM 619 CB VAL A 43 5.951 -3.717 -2.630 1.00 0.00 C ATOM 620 CG1 VAL A 43 4.823 -2.702 -2.529 1.00 0.00 C ATOM 621 CG2 VAL A 43 6.756 -3.763 -1.340 1.00 0.00 C ATOM 0 H VAL A 43 7.272 -5.515 -3.806 1.00 0.00 H new ATOM 0 HA VAL A 43 5.001 -5.568 -2.058 1.00 0.00 H new ATOM 0 HB VAL A 43 6.616 -3.405 -3.436 1.00 0.00 H new ATOM 0 HG11 VAL A 43 5.236 -1.722 -2.290 1.00 0.00 H new ATOM 0 HG12 VAL A 43 4.293 -2.651 -3.480 1.00 0.00 H new ATOM 0 HG13 VAL A 43 4.130 -3.005 -1.744 1.00 0.00 H new ATOM 0 HG21 VAL A 43 7.142 -2.769 -1.117 1.00 0.00 H new ATOM 0 HG22 VAL A 43 6.116 -4.096 -0.523 1.00 0.00 H new ATOM 0 HG23 VAL A 43 7.588 -4.458 -1.455 1.00 0.00 H new ATOM 631 N LEU A 44 4.601 -5.155 -5.258 1.00 0.00 N ATOM 632 CA LEU A 44 3.618 -5.044 -6.330 1.00 0.00 C ATOM 633 C LEU A 44 2.986 -6.400 -6.631 1.00 0.00 C ATOM 634 O LEU A 44 2.006 -6.490 -7.371 1.00 0.00 O ATOM 635 CB LEU A 44 4.273 -4.482 -7.594 1.00 0.00 C ATOM 636 CG LEU A 44 5.333 -3.401 -7.376 1.00 0.00 C ATOM 637 CD1 LEU A 44 6.106 -3.146 -8.660 1.00 0.00 C ATOM 638 CD2 LEU A 44 4.688 -2.117 -6.875 1.00 0.00 C ATOM 0 H LEU A 44 5.544 -5.385 -5.573 1.00 0.00 H new ATOM 0 HA LEU A 44 2.833 -4.362 -6.001 1.00 0.00 H new ATOM 0 HB2 LEU A 44 4.731 -5.307 -8.140 1.00 0.00 H new ATOM 0 HB3 LEU A 44 3.491 -4.072 -8.233 1.00 0.00 H new ATOM 0 HG LEU A 44 6.034 -3.752 -6.618 1.00 0.00 H new ATOM 0 HD11 LEU A 44 6.856 -2.374 -8.486 1.00 0.00 H new ATOM 0 HD12 LEU A 44 6.598 -4.065 -8.977 1.00 0.00 H new ATOM 0 HD13 LEU A 44 5.419 -2.815 -9.439 1.00 0.00 H new ATOM 0 HD21 LEU A 44 5.456 -1.358 -6.725 1.00 0.00 H new ATOM 0 HD22 LEU A 44 3.966 -1.762 -7.610 1.00 0.00 H new ATOM 0 HD23 LEU A 44 4.179 -2.310 -5.930 1.00 0.00 H new ATOM 650 N LYS A 45 3.552 -7.452 -6.051 1.00 0.00 N ATOM 651 CA LYS A 45 3.043 -8.804 -6.253 1.00 0.00 C ATOM 652 C LYS A 45 1.618 -8.932 -5.727 1.00 0.00 C ATOM 653 O LYS A 45 0.901 -9.874 -6.071 1.00 0.00 O ATOM 654 CB LYS A 45 3.949 -9.822 -5.556 1.00 0.00 C ATOM 655 CG LYS A 45 4.862 -10.576 -6.507 1.00 0.00 C ATOM 656 CD LYS A 45 5.852 -11.451 -5.755 1.00 0.00 C ATOM 657 CE LYS A 45 7.200 -11.494 -6.456 1.00 0.00 C ATOM 658 NZ LYS A 45 7.272 -12.596 -7.454 1.00 0.00 N ATOM 0 H LYS A 45 4.364 -7.395 -5.437 1.00 0.00 H new ATOM 0 HA LYS A 45 3.036 -9.007 -7.324 1.00 0.00 H new ATOM 0 HB2 LYS A 45 4.558 -9.306 -4.814 1.00 0.00 H new ATOM 0 HB3 LYS A 45 3.329 -10.538 -5.017 1.00 0.00 H new ATOM 0 HG2 LYS A 45 4.262 -11.195 -7.174 1.00 0.00 H new ATOM 0 HG3 LYS A 45 5.404 -9.866 -7.132 1.00 0.00 H new ATOM 0 HD2 LYS A 45 5.979 -11.070 -4.742 1.00 0.00 H new ATOM 0 HD3 LYS A 45 5.453 -12.462 -5.668 1.00 0.00 H new ATOM 0 HE2 LYS A 45 7.381 -10.541 -6.954 1.00 0.00 H new ATOM 0 HE3 LYS A 45 7.990 -11.622 -5.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 8.207 -12.591 -7.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 7.125 -13.508 -6.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 6.535 -12.460 -8.175 1.00 0.00 H new ATOM 672 N LEU A 46 1.210 -7.980 -4.896 1.00 0.00 N ATOM 673 CA LEU A 46 -0.132 -7.986 -4.324 1.00 0.00 C ATOM 674 C LEU A 46 -1.086 -7.144 -5.165 1.00 0.00 C ATOM 675 O LEU A 46 -2.281 -7.070 -4.879 1.00 0.00 O ATOM 676 CB LEU A 46 -0.098 -7.458 -2.888 1.00 0.00 C ATOM 677 CG LEU A 46 1.129 -6.631 -2.507 1.00 0.00 C ATOM 678 CD1 LEU A 46 0.880 -5.871 -1.213 1.00 0.00 C ATOM 679 CD2 LEU A 46 2.355 -7.523 -2.376 1.00 0.00 C ATOM 0 H LEU A 46 1.789 -7.193 -4.603 1.00 0.00 H new ATOM 0 HA LEU A 46 -0.493 -9.014 -4.318 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -0.987 -6.849 -2.725 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -0.164 -8.307 -2.208 1.00 0.00 H new ATOM 0 HG LEU A 46 1.315 -5.907 -3.300 1.00 0.00 H new ATOM 0 HD11 LEU A 46 1.765 -5.288 -0.958 1.00 0.00 H new ATOM 0 HD12 LEU A 46 0.029 -5.202 -1.342 1.00 0.00 H new ATOM 0 HD13 LEU A 46 0.667 -6.578 -0.411 1.00 0.00 H new ATOM 0 HD21 LEU A 46 3.219 -6.916 -2.104 1.00 0.00 H new ATOM 0 HD22 LEU A 46 2.180 -8.271 -1.603 1.00 0.00 H new ATOM 0 HD23 LEU A 46 2.546 -8.021 -3.327 1.00 0.00 H new ATOM 691 N ALA A 47 -0.551 -6.515 -6.206 1.00 0.00 N ATOM 692 CA ALA A 47 -1.355 -5.682 -7.092 1.00 0.00 C ATOM 693 C ALA A 47 -1.271 -6.174 -8.533 1.00 0.00 C ATOM 694 O ALA A 47 -1.927 -5.632 -9.422 1.00 0.00 O ATOM 695 CB ALA A 47 -0.909 -4.230 -7.001 1.00 0.00 C ATOM 0 H ALA A 47 0.436 -6.566 -6.457 1.00 0.00 H new ATOM 0 HA ALA A 47 -2.394 -5.752 -6.772 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -1.518 -3.620 -7.668 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -1.027 -3.877 -5.977 1.00 0.00 H new ATOM 0 HB3 ALA A 47 0.138 -4.152 -7.293 1.00 0.00 H new ATOM 701 N GLU A 48 -0.461 -7.204 -8.756 1.00 0.00 N ATOM 702 CA GLU A 48 -0.291 -7.766 -10.091 1.00 0.00 C ATOM 703 C GLU A 48 -1.593 -8.386 -10.590 1.00 0.00 C ATOM 704 O GLU A 48 -2.158 -7.975 -11.604 1.00 0.00 O ATOM 705 CB GLU A 48 0.819 -8.819 -10.087 1.00 0.00 C ATOM 706 CG GLU A 48 2.154 -8.298 -10.593 1.00 0.00 C ATOM 707 CD GLU A 48 2.723 -9.142 -11.716 1.00 0.00 C ATOM 708 OE1 GLU A 48 2.172 -9.088 -12.835 1.00 0.00 O ATOM 709 OE2 GLU A 48 3.717 -9.858 -11.476 1.00 0.00 O ATOM 0 H GLU A 48 0.087 -7.666 -8.030 1.00 0.00 H new ATOM 0 HA GLU A 48 -0.012 -6.957 -10.766 1.00 0.00 H new ATOM 0 HB2 GLU A 48 0.947 -9.196 -9.072 1.00 0.00 H new ATOM 0 HB3 GLU A 48 0.510 -9.663 -10.704 1.00 0.00 H new ATOM 0 HG2 GLU A 48 2.031 -7.272 -10.941 1.00 0.00 H new ATOM 0 HG3 GLU A 48 2.865 -8.271 -9.768 1.00 0.00 H new ATOM 716 N PRO A 49 -2.083 -9.400 -9.861 1.00 0.00 N ATOM 717 CA PRO A 49 -3.323 -10.098 -10.208 1.00 0.00 C ATOM 718 C PRO A 49 -4.558 -9.226 -10.003 1.00 0.00 C ATOM 719 O PRO A 49 -5.687 -9.676 -10.197 1.00 0.00 O ATOM 720 CB PRO A 49 -3.344 -11.288 -9.245 1.00 0.00 C ATOM 721 CG PRO A 49 -2.527 -10.845 -8.080 1.00 0.00 C ATOM 722 CD PRO A 49 -1.463 -9.942 -8.640 1.00 0.00 C ATOM 0 HA PRO A 49 -3.348 -10.383 -11.260 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -4.362 -11.536 -8.944 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -2.922 -12.180 -9.708 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -3.142 -10.318 -7.350 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -2.084 -11.699 -7.567 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -1.198 -9.151 -7.939 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -0.548 -10.490 -8.863 1.00 0.00 H new ATOM 730 N TYR A 50 -4.334 -7.977 -9.610 1.00 0.00 N ATOM 731 CA TYR A 50 -5.428 -7.043 -9.375 1.00 0.00 C ATOM 732 C TYR A 50 -5.590 -6.087 -10.554 1.00 0.00 C ATOM 733 O TYR A 50 -6.705 -5.726 -10.926 1.00 0.00 O ATOM 734 CB TYR A 50 -5.184 -6.249 -8.091 1.00 0.00 C ATOM 735 CG TYR A 50 -5.352 -7.068 -6.832 1.00 0.00 C ATOM 736 CD1 TYR A 50 -4.284 -7.773 -6.289 1.00 0.00 C ATOM 737 CD2 TYR A 50 -6.579 -7.139 -6.184 1.00 0.00 C ATOM 738 CE1 TYR A 50 -4.434 -8.524 -5.140 1.00 0.00 C ATOM 739 CE2 TYR A 50 -6.738 -7.885 -5.032 1.00 0.00 C ATOM 740 CZ TYR A 50 -5.662 -8.576 -4.514 1.00 0.00 C ATOM 741 OH TYR A 50 -5.816 -9.323 -3.368 1.00 0.00 O ATOM 0 H TYR A 50 -3.405 -7.588 -9.448 1.00 0.00 H new ATOM 0 HA TYR A 50 -6.347 -7.620 -9.268 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -4.175 -5.837 -8.115 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -5.872 -5.404 -8.060 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -3.320 -7.733 -6.774 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -7.424 -6.601 -6.588 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -3.594 -9.068 -4.734 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -7.699 -7.927 -4.540 1.00 0.00 H new ATOM 0 HH TYR A 50 -4.968 -9.348 -2.877 1.00 0.00 H new ATOM 751 N GLY A 51 -4.466 -5.682 -11.137 1.00 0.00 N ATOM 752 CA GLY A 51 -4.503 -4.772 -12.267 1.00 0.00 C ATOM 753 C GLY A 51 -3.118 -4.369 -12.734 1.00 0.00 C ATOM 754 O GLY A 51 -2.129 -4.598 -12.036 1.00 0.00 O ATOM 0 H GLY A 51 -3.531 -5.968 -10.847 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -5.038 -5.243 -13.091 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -5.064 -3.879 -11.992 1.00 0.00 H new ATOM 758 N LYS A 52 -3.044 -3.768 -13.916 1.00 0.00 N ATOM 759 CA LYS A 52 -1.770 -3.333 -14.476 1.00 0.00 C ATOM 760 C LYS A 52 -1.189 -2.176 -13.670 1.00 0.00 C ATOM 761 O LYS A 52 -1.785 -1.101 -13.591 1.00 0.00 O ATOM 762 CB LYS A 52 -1.949 -2.911 -15.936 1.00 0.00 C ATOM 763 CG LYS A 52 -1.725 -4.041 -16.927 1.00 0.00 C ATOM 764 CD LYS A 52 -1.184 -3.523 -18.249 1.00 0.00 C ATOM 765 CE LYS A 52 -2.170 -3.755 -19.384 1.00 0.00 C ATOM 766 NZ LYS A 52 -1.868 -2.900 -20.565 1.00 0.00 N ATOM 0 H LYS A 52 -3.852 -3.571 -14.506 1.00 0.00 H new ATOM 0 HA LYS A 52 -1.075 -4.172 -14.429 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -2.956 -2.515 -16.070 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -1.255 -2.100 -16.159 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -1.026 -4.763 -16.505 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -2.664 -4.568 -17.098 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -0.970 -2.458 -18.163 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -0.241 -4.020 -18.477 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -2.144 -4.804 -19.679 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -3.181 -3.547 -19.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -2.562 -3.088 -21.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -1.918 -1.898 -20.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -0.913 -3.116 -20.915 1.00 0.00 H new ATOM 780 N ILE A 53 -0.023 -2.404 -13.073 1.00 0.00 N ATOM 781 CA ILE A 53 0.638 -1.379 -12.275 1.00 0.00 C ATOM 782 C ILE A 53 1.187 -0.263 -13.158 1.00 0.00 C ATOM 783 O ILE A 53 2.307 -0.347 -13.661 1.00 0.00 O ATOM 784 CB ILE A 53 1.790 -1.971 -11.442 1.00 0.00 C ATOM 785 CG1 ILE A 53 1.253 -3.006 -10.451 1.00 0.00 C ATOM 786 CG2 ILE A 53 2.537 -0.866 -10.709 1.00 0.00 C ATOM 787 CD1 ILE A 53 2.100 -4.257 -10.365 1.00 0.00 C ATOM 0 H ILE A 53 0.482 -3.288 -13.127 1.00 0.00 H new ATOM 0 HA ILE A 53 -0.115 -0.969 -11.602 1.00 0.00 H new ATOM 0 HB ILE A 53 2.487 -2.469 -12.116 1.00 0.00 H new ATOM 0 HG12 ILE A 53 1.189 -2.551 -9.462 1.00 0.00 H new ATOM 0 HG13 ILE A 53 0.239 -3.283 -10.741 1.00 0.00 H new ATOM 0 HG21 ILE A 53 3.348 -1.301 -10.125 1.00 0.00 H new ATOM 0 HG22 ILE A 53 2.948 -0.162 -11.433 1.00 0.00 H new ATOM 0 HG23 ILE A 53 1.851 -0.342 -10.043 1.00 0.00 H new ATOM 0 HD11 ILE A 53 1.660 -4.946 -9.644 1.00 0.00 H new ATOM 0 HD12 ILE A 53 2.143 -4.735 -11.344 1.00 0.00 H new ATOM 0 HD13 ILE A 53 3.108 -3.993 -10.045 1.00 0.00 H new ATOM 799 N LYS A 54 0.390 0.784 -13.342 1.00 0.00 N ATOM 800 CA LYS A 54 0.794 1.920 -14.161 1.00 0.00 C ATOM 801 C LYS A 54 1.894 2.723 -13.474 1.00 0.00 C ATOM 802 O LYS A 54 2.652 3.439 -14.126 1.00 0.00 O ATOM 803 CB LYS A 54 -0.408 2.824 -14.446 1.00 0.00 C ATOM 804 CG LYS A 54 -0.854 2.804 -15.898 1.00 0.00 C ATOM 805 CD LYS A 54 -1.508 1.483 -16.263 1.00 0.00 C ATOM 806 CE LYS A 54 -1.634 1.320 -17.770 1.00 0.00 C ATOM 807 NZ LYS A 54 -2.748 2.136 -18.326 1.00 0.00 N ATOM 0 H LYS A 54 -0.541 0.869 -12.934 1.00 0.00 H new ATOM 0 HA LYS A 54 1.183 1.535 -15.103 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -1.241 2.516 -13.815 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -0.157 3.847 -14.166 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -1.555 3.619 -16.075 1.00 0.00 H new ATOM 0 HG3 LYS A 54 0.005 2.977 -16.546 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -0.921 0.660 -15.855 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -2.496 1.427 -15.806 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -0.698 1.612 -18.246 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -1.799 0.269 -18.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -3.035 1.750 -19.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -3.557 2.110 -17.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -2.432 3.119 -18.446 1.00 0.00 H new ATOM 821 N ASN A 55 1.977 2.595 -12.154 1.00 0.00 N ATOM 822 CA ASN A 55 2.985 3.307 -11.379 1.00 0.00 C ATOM 823 C ASN A 55 3.001 2.825 -9.931 1.00 0.00 C ATOM 824 O ASN A 55 1.984 2.371 -9.407 1.00 0.00 O ATOM 825 CB ASN A 55 2.723 4.813 -11.423 1.00 0.00 C ATOM 826 CG ASN A 55 3.986 5.613 -11.681 1.00 0.00 C ATOM 827 OD1 ASN A 55 4.756 5.858 -10.627 1.00 0.00 O flip ATOM 828 ND2 ASN A 55 4.265 6.007 -12.813 1.00 0.00 N flip ATOM 0 H ASN A 55 1.358 2.004 -11.599 1.00 0.00 H new ATOM 0 HA ASN A 55 3.959 3.101 -11.823 1.00 0.00 H new ATOM 0 HB2 ASN A 55 1.993 5.029 -12.203 1.00 0.00 H new ATOM 0 HB3 ASN A 55 2.282 5.130 -10.478 1.00 0.00 H new ATOM 0 HD21 ASN A 55 3.644 5.796 -13.594 1.00 0.00 H new ATOM 0 HD22 ASN A 55 5.117 6.545 -12.970 1.00 0.00 H new ATOM 835 N TYR A 56 4.160 2.927 -9.291 1.00 0.00 N ATOM 836 CA TYR A 56 4.308 2.500 -7.905 1.00 0.00 C ATOM 837 C TYR A 56 5.369 3.331 -7.189 1.00 0.00 C ATOM 838 O TYR A 56 6.255 3.905 -7.823 1.00 0.00 O ATOM 839 CB TYR A 56 4.678 1.018 -7.843 1.00 0.00 C ATOM 840 CG TYR A 56 6.147 0.750 -8.083 1.00 0.00 C ATOM 841 CD1 TYR A 56 6.649 0.627 -9.373 1.00 0.00 C ATOM 842 CD2 TYR A 56 7.033 0.619 -7.021 1.00 0.00 C ATOM 843 CE1 TYR A 56 7.989 0.381 -9.598 1.00 0.00 C ATOM 844 CE2 TYR A 56 8.376 0.374 -7.236 1.00 0.00 C ATOM 845 CZ TYR A 56 8.849 0.256 -8.526 1.00 0.00 C ATOM 846 OH TYR A 56 10.185 0.011 -8.745 1.00 0.00 O ATOM 0 H TYR A 56 5.011 3.302 -9.710 1.00 0.00 H new ATOM 0 HA TYR A 56 3.353 2.651 -7.401 1.00 0.00 H new ATOM 0 HB2 TYR A 56 4.400 0.623 -6.866 1.00 0.00 H new ATOM 0 HB3 TYR A 56 4.092 0.475 -8.584 1.00 0.00 H new ATOM 0 HD1 TYR A 56 5.979 0.726 -10.214 1.00 0.00 H new ATOM 0 HD2 TYR A 56 6.666 0.710 -6.009 1.00 0.00 H new ATOM 0 HE1 TYR A 56 8.362 0.287 -10.607 1.00 0.00 H new ATOM 0 HE2 TYR A 56 9.051 0.276 -6.399 1.00 0.00 H new ATOM 0 HH TYR A 56 10.652 -0.049 -7.885 1.00 0.00 H new ATOM 856 N ILE A 57 5.272 3.390 -5.866 1.00 0.00 N ATOM 857 CA ILE A 57 6.222 4.150 -5.063 1.00 0.00 C ATOM 858 C ILE A 57 6.646 3.365 -3.825 1.00 0.00 C ATOM 859 O ILE A 57 5.814 2.995 -2.997 1.00 0.00 O ATOM 860 CB ILE A 57 5.634 5.503 -4.623 1.00 0.00 C ATOM 861 CG1 ILE A 57 5.607 6.479 -5.800 1.00 0.00 C ATOM 862 CG2 ILE A 57 6.439 6.080 -3.468 1.00 0.00 C ATOM 863 CD1 ILE A 57 6.915 7.211 -6.008 1.00 0.00 C ATOM 0 H ILE A 57 4.545 2.920 -5.327 1.00 0.00 H new ATOM 0 HA ILE A 57 7.093 4.331 -5.693 1.00 0.00 H new ATOM 0 HB ILE A 57 4.610 5.344 -4.283 1.00 0.00 H new ATOM 0 HG12 ILE A 57 5.357 5.932 -6.709 1.00 0.00 H new ATOM 0 HG13 ILE A 57 4.813 7.208 -5.639 1.00 0.00 H new ATOM 0 HG21 ILE A 57 6.011 7.037 -3.168 1.00 0.00 H new ATOM 0 HG22 ILE A 57 6.411 5.390 -2.625 1.00 0.00 H new ATOM 0 HG23 ILE A 57 7.472 6.227 -3.782 1.00 0.00 H new ATOM 0 HD11 ILE A 57 6.823 7.886 -6.859 1.00 0.00 H new ATOM 0 HD12 ILE A 57 7.157 7.786 -5.114 1.00 0.00 H new ATOM 0 HD13 ILE A 57 7.709 6.490 -6.201 1.00 0.00 H new ATOM 875 N LEU A 58 7.945 3.117 -3.705 1.00 0.00 N ATOM 876 CA LEU A 58 8.481 2.377 -2.568 1.00 0.00 C ATOM 877 C LEU A 58 9.301 3.292 -1.662 1.00 0.00 C ATOM 878 O LEU A 58 10.475 3.551 -1.925 1.00 0.00 O ATOM 879 CB LEU A 58 9.345 1.212 -3.051 1.00 0.00 C ATOM 880 CG LEU A 58 8.857 -0.187 -2.676 1.00 0.00 C ATOM 881 CD1 LEU A 58 8.776 -0.337 -1.165 1.00 0.00 C ATOM 882 CD2 LEU A 58 7.503 -0.469 -3.314 1.00 0.00 C ATOM 0 H LEU A 58 8.647 3.417 -4.381 1.00 0.00 H new ATOM 0 HA LEU A 58 7.642 1.983 -1.995 1.00 0.00 H new ATOM 0 HB2 LEU A 58 9.422 1.269 -4.137 1.00 0.00 H new ATOM 0 HB3 LEU A 58 10.351 1.343 -2.653 1.00 0.00 H new ATOM 0 HG LEU A 58 9.575 -0.914 -3.055 1.00 0.00 H new ATOM 0 HD11 LEU A 58 8.427 -1.339 -0.917 1.00 0.00 H new ATOM 0 HD12 LEU A 58 9.763 -0.179 -0.730 1.00 0.00 H new ATOM 0 HD13 LEU A 58 8.080 0.399 -0.763 1.00 0.00 H new ATOM 0 HD21 LEU A 58 7.171 -1.469 -3.036 1.00 0.00 H new ATOM 0 HD22 LEU A 58 6.776 0.264 -2.965 1.00 0.00 H new ATOM 0 HD23 LEU A 58 7.591 -0.404 -4.398 1.00 0.00 H new ATOM 894 N MET A 59 8.674 3.775 -0.595 1.00 0.00 N ATOM 895 CA MET A 59 9.347 4.658 0.351 1.00 0.00 C ATOM 896 C MET A 59 9.764 3.894 1.605 1.00 0.00 C ATOM 897 O MET A 59 8.923 3.342 2.314 1.00 0.00 O ATOM 898 CB MET A 59 8.434 5.825 0.731 1.00 0.00 C ATOM 899 CG MET A 59 7.935 6.618 -0.465 1.00 0.00 C ATOM 900 SD MET A 59 7.369 8.271 -0.015 1.00 0.00 S ATOM 901 CE MET A 59 5.948 8.447 -1.091 1.00 0.00 C ATOM 0 H MET A 59 7.702 3.570 -0.364 1.00 0.00 H new ATOM 0 HA MET A 59 10.243 5.050 -0.130 1.00 0.00 H new ATOM 0 HB2 MET A 59 7.578 5.441 1.285 1.00 0.00 H new ATOM 0 HB3 MET A 59 8.973 6.494 1.402 1.00 0.00 H new ATOM 0 HG2 MET A 59 8.735 6.700 -1.201 1.00 0.00 H new ATOM 0 HG3 MET A 59 7.118 6.075 -0.941 1.00 0.00 H new ATOM 0 HE1 MET A 59 5.226 9.122 -0.632 1.00 0.00 H new ATOM 0 HE2 MET A 59 6.267 8.854 -2.051 1.00 0.00 H new ATOM 0 HE3 MET A 59 5.486 7.472 -1.246 1.00 0.00 H new ATOM 911 N ARG A 60 11.066 3.867 1.871 1.00 0.00 N ATOM 912 CA ARG A 60 11.593 3.171 3.038 1.00 0.00 C ATOM 913 C ARG A 60 11.634 4.096 4.252 1.00 0.00 C ATOM 914 O ARG A 60 11.810 3.645 5.382 1.00 0.00 O ATOM 915 CB ARG A 60 12.995 2.632 2.746 1.00 0.00 C ATOM 916 CG ARG A 60 13.016 1.514 1.717 1.00 0.00 C ATOM 917 CD ARG A 60 14.422 0.975 1.507 1.00 0.00 C ATOM 918 NE ARG A 60 14.534 0.202 0.274 1.00 0.00 N ATOM 919 CZ ARG A 60 15.694 -0.120 -0.289 1.00 0.00 C ATOM 920 NH1 ARG A 60 16.834 0.261 0.270 1.00 0.00 N ATOM 921 NH2 ARG A 60 15.713 -0.826 -1.412 1.00 0.00 N ATOM 0 H ARG A 60 11.775 4.319 1.294 1.00 0.00 H new ATOM 0 HA ARG A 60 10.929 2.336 3.262 1.00 0.00 H new ATOM 0 HB2 ARG A 60 13.623 3.450 2.394 1.00 0.00 H new ATOM 0 HB3 ARG A 60 13.436 2.268 3.674 1.00 0.00 H new ATOM 0 HG2 ARG A 60 12.361 0.706 2.043 1.00 0.00 H new ATOM 0 HG3 ARG A 60 12.621 1.882 0.770 1.00 0.00 H new ATOM 0 HD2 ARG A 60 15.128 1.805 1.480 1.00 0.00 H new ATOM 0 HD3 ARG A 60 14.700 0.348 2.354 1.00 0.00 H new ATOM 0 HE ARG A 60 13.675 -0.108 -0.180 1.00 0.00 H new ATOM 0 HH11 ARG A 60 16.822 0.803 1.134 1.00 0.00 H new ATOM 0 HH12 ARG A 60 17.723 0.013 -0.164 1.00 0.00 H new ATOM 0 HH21 ARG A 60 14.837 -1.122 -1.843 1.00 0.00 H new ATOM 0 HH22 ARG A 60 16.603 -1.073 -1.844 1.00 0.00 H new ATOM 935 N MET A 61 11.472 5.392 4.006 1.00 0.00 N ATOM 936 CA MET A 61 11.490 6.380 5.078 1.00 0.00 C ATOM 937 C MET A 61 10.710 5.882 6.290 1.00 0.00 C ATOM 938 O MET A 61 11.291 5.548 7.322 1.00 0.00 O ATOM 939 CB MET A 61 10.902 7.706 4.589 1.00 0.00 C ATOM 940 CG MET A 61 11.937 8.642 3.986 1.00 0.00 C ATOM 941 SD MET A 61 12.454 9.935 5.130 1.00 0.00 S ATOM 942 CE MET A 61 13.954 10.510 4.337 1.00 0.00 C ATOM 0 H MET A 61 11.327 5.782 3.075 1.00 0.00 H new ATOM 0 HA MET A 61 12.527 6.538 5.375 1.00 0.00 H new ATOM 0 HB2 MET A 61 10.132 7.501 3.845 1.00 0.00 H new ATOM 0 HB3 MET A 61 10.413 8.207 5.424 1.00 0.00 H new ATOM 0 HG2 MET A 61 12.809 8.064 3.679 1.00 0.00 H new ATOM 0 HG3 MET A 61 11.526 9.101 3.087 1.00 0.00 H new ATOM 0 HE1 MET A 61 14.393 11.314 4.928 1.00 0.00 H new ATOM 0 HE2 MET A 61 14.664 9.686 4.261 1.00 0.00 H new ATOM 0 HE3 MET A 61 13.719 10.880 3.339 1.00 0.00 H new ATOM 952 N LYS A 62 9.388 5.834 6.159 1.00 0.00 N ATOM 953 CA LYS A 62 8.527 5.375 7.242 1.00 0.00 C ATOM 954 C LYS A 62 7.727 4.147 6.819 1.00 0.00 C ATOM 955 O LYS A 62 6.534 4.045 7.101 1.00 0.00 O ATOM 956 CB LYS A 62 7.576 6.493 7.673 1.00 0.00 C ATOM 957 CG LYS A 62 8.284 7.777 8.070 1.00 0.00 C ATOM 958 CD LYS A 62 7.405 8.993 7.839 1.00 0.00 C ATOM 959 CE LYS A 62 7.480 9.964 9.008 1.00 0.00 C ATOM 960 NZ LYS A 62 7.819 11.344 8.561 1.00 0.00 N ATOM 0 H LYS A 62 8.890 6.108 5.312 1.00 0.00 H new ATOM 0 HA LYS A 62 9.161 5.100 8.085 1.00 0.00 H new ATOM 0 HB2 LYS A 62 6.886 6.706 6.856 1.00 0.00 H new ATOM 0 HB3 LYS A 62 6.976 6.144 8.514 1.00 0.00 H new ATOM 0 HG2 LYS A 62 8.568 7.727 9.121 1.00 0.00 H new ATOM 0 HG3 LYS A 62 9.205 7.878 7.496 1.00 0.00 H new ATOM 0 HD2 LYS A 62 7.714 9.498 6.924 1.00 0.00 H new ATOM 0 HD3 LYS A 62 6.373 8.675 7.694 1.00 0.00 H new ATOM 0 HE2 LYS A 62 6.524 9.976 9.532 1.00 0.00 H new ATOM 0 HE3 LYS A 62 8.229 9.618 9.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 7.861 11.976 9.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 8.743 11.337 8.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 7.091 11.684 7.901 1.00 0.00 H new ATOM 974 N SER A 63 8.393 3.218 6.141 1.00 0.00 N ATOM 975 CA SER A 63 7.743 1.998 5.677 1.00 0.00 C ATOM 976 C SER A 63 6.388 2.309 5.049 1.00 0.00 C ATOM 977 O SER A 63 5.343 2.085 5.661 1.00 0.00 O ATOM 978 CB SER A 63 7.567 1.016 6.837 1.00 0.00 C ATOM 979 OG SER A 63 6.607 1.488 7.765 1.00 0.00 O ATOM 0 H SER A 63 9.382 3.287 5.901 1.00 0.00 H new ATOM 0 HA SER A 63 8.379 1.543 4.918 1.00 0.00 H new ATOM 0 HB2 SER A 63 7.257 0.045 6.451 1.00 0.00 H new ATOM 0 HB3 SER A 63 8.522 0.869 7.341 1.00 0.00 H new ATOM 0 HG SER A 63 6.020 2.138 7.326 1.00 0.00 H new ATOM 985 N GLN A 64 6.414 2.827 3.826 1.00 0.00 N ATOM 986 CA GLN A 64 5.188 3.171 3.116 1.00 0.00 C ATOM 987 C GLN A 64 5.388 3.079 1.607 1.00 0.00 C ATOM 988 O GLN A 64 6.461 3.398 1.093 1.00 0.00 O ATOM 989 CB GLN A 64 4.730 4.580 3.497 1.00 0.00 C ATOM 990 CG GLN A 64 4.121 4.667 4.886 1.00 0.00 C ATOM 991 CD GLN A 64 3.110 5.789 5.011 1.00 0.00 C ATOM 992 OE1 GLN A 64 2.727 6.409 4.018 1.00 0.00 O ATOM 993 NE2 GLN A 64 2.672 6.058 6.235 1.00 0.00 N ATOM 0 H GLN A 64 7.270 3.018 3.306 1.00 0.00 H new ATOM 0 HA GLN A 64 4.418 2.456 3.406 1.00 0.00 H new ATOM 0 HB2 GLN A 64 5.582 5.258 3.440 1.00 0.00 H new ATOM 0 HB3 GLN A 64 3.998 4.925 2.766 1.00 0.00 H new ATOM 0 HG2 GLN A 64 3.638 3.720 5.127 1.00 0.00 H new ATOM 0 HG3 GLN A 64 4.915 4.815 5.618 1.00 0.00 H new ATOM 0 HE21 GLN A 64 3.016 5.519 7.030 1.00 0.00 H new ATOM 0 HE22 GLN A 64 1.991 6.804 6.381 1.00 0.00 H new ATOM 1002 N ALA A 65 4.350 2.640 0.902 1.00 0.00 N ATOM 1003 CA ALA A 65 4.414 2.508 -0.548 1.00 0.00 C ATOM 1004 C ALA A 65 3.061 2.809 -1.186 1.00 0.00 C ATOM 1005 O ALA A 65 2.013 2.510 -0.612 1.00 0.00 O ATOM 1006 CB ALA A 65 4.880 1.111 -0.931 1.00 0.00 C ATOM 0 H ALA A 65 3.456 2.370 1.311 1.00 0.00 H new ATOM 0 HA ALA A 65 5.134 3.235 -0.923 1.00 0.00 H new ATOM 0 HB1 ALA A 65 4.923 1.027 -2.017 1.00 0.00 H new ATOM 0 HB2 ALA A 65 5.871 0.931 -0.513 1.00 0.00 H new ATOM 0 HB3 ALA A 65 4.181 0.373 -0.537 1.00 0.00 H new ATOM 1012 N PHE A 66 3.092 3.403 -2.374 1.00 0.00 N ATOM 1013 CA PHE A 66 1.868 3.746 -3.089 1.00 0.00 C ATOM 1014 C PHE A 66 1.841 3.091 -4.466 1.00 0.00 C ATOM 1015 O PHE A 66 2.622 3.445 -5.350 1.00 0.00 O ATOM 1016 CB PHE A 66 1.745 5.265 -3.232 1.00 0.00 C ATOM 1017 CG PHE A 66 1.698 5.988 -1.917 1.00 0.00 C ATOM 1018 CD1 PHE A 66 2.859 6.214 -1.193 1.00 0.00 C ATOM 1019 CD2 PHE A 66 0.495 6.443 -1.403 1.00 0.00 C ATOM 1020 CE1 PHE A 66 2.821 6.880 0.017 1.00 0.00 C ATOM 1021 CE2 PHE A 66 0.450 7.110 -0.193 1.00 0.00 C ATOM 1022 CZ PHE A 66 1.614 7.328 0.518 1.00 0.00 C ATOM 0 H PHE A 66 3.951 3.657 -2.862 1.00 0.00 H new ATOM 0 HA PHE A 66 1.022 3.372 -2.512 1.00 0.00 H new ATOM 0 HB2 PHE A 66 2.589 5.637 -3.812 1.00 0.00 H new ATOM 0 HB3 PHE A 66 0.843 5.497 -3.798 1.00 0.00 H new ATOM 0 HD1 PHE A 66 3.805 5.865 -1.580 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -0.419 6.275 -1.954 1.00 0.00 H new ATOM 0 HE1 PHE A 66 3.733 7.050 0.570 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -0.495 7.460 0.196 1.00 0.00 H new ATOM 0 HZ PHE A 66 1.581 7.848 1.464 1.00 0.00 H new ATOM 1032 N ILE A 67 0.936 2.133 -4.642 1.00 0.00 N ATOM 1033 CA ILE A 67 0.806 1.429 -5.911 1.00 0.00 C ATOM 1034 C ILE A 67 -0.422 1.904 -6.680 1.00 0.00 C ATOM 1035 O ILE A 67 -1.556 1.689 -6.252 1.00 0.00 O ATOM 1036 CB ILE A 67 0.710 -0.094 -5.702 1.00 0.00 C ATOM 1037 CG1 ILE A 67 1.907 -0.596 -4.892 1.00 0.00 C ATOM 1038 CG2 ILE A 67 0.635 -0.809 -7.043 1.00 0.00 C ATOM 1039 CD1 ILE A 67 1.802 -2.052 -4.497 1.00 0.00 C ATOM 0 H ILE A 67 0.282 1.827 -3.921 1.00 0.00 H new ATOM 0 HA ILE A 67 1.702 1.652 -6.489 1.00 0.00 H new ATOM 0 HB ILE A 67 -0.200 -0.312 -5.144 1.00 0.00 H new ATOM 0 HG12 ILE A 67 2.816 -0.451 -5.475 1.00 0.00 H new ATOM 0 HG13 ILE A 67 2.006 0.010 -3.991 1.00 0.00 H new ATOM 0 HG21 ILE A 67 0.568 -1.884 -6.879 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -0.246 -0.469 -7.588 1.00 0.00 H new ATOM 0 HG23 ILE A 67 1.530 -0.586 -7.625 1.00 0.00 H new ATOM 0 HD11 ILE A 67 2.685 -2.339 -3.926 1.00 0.00 H new ATOM 0 HD12 ILE A 67 0.911 -2.200 -3.887 1.00 0.00 H new ATOM 0 HD13 ILE A 67 1.734 -2.668 -5.394 1.00 0.00 H new ATOM 1051 N GLU A 68 -0.188 2.548 -7.818 1.00 0.00 N ATOM 1052 CA GLU A 68 -1.277 3.051 -8.648 1.00 0.00 C ATOM 1053 C GLU A 68 -1.705 2.009 -9.677 1.00 0.00 C ATOM 1054 O GLU A 68 -0.992 1.750 -10.646 1.00 0.00 O ATOM 1055 CB GLU A 68 -0.854 4.339 -9.357 1.00 0.00 C ATOM 1056 CG GLU A 68 -1.949 4.949 -10.216 1.00 0.00 C ATOM 1057 CD GLU A 68 -2.038 6.456 -10.064 1.00 0.00 C ATOM 1058 OE1 GLU A 68 -0.995 7.086 -9.787 1.00 0.00 O ATOM 1059 OE2 GLU A 68 -3.148 7.004 -10.221 1.00 0.00 O ATOM 0 H GLU A 68 0.745 2.734 -8.187 1.00 0.00 H new ATOM 0 HA GLU A 68 -2.126 3.263 -7.998 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -0.541 5.069 -8.610 1.00 0.00 H new ATOM 0 HB3 GLU A 68 0.014 4.131 -9.983 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -1.765 4.703 -11.262 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -2.907 4.503 -9.948 1.00 0.00 H new ATOM 1066 N MET A 69 -2.873 1.413 -9.457 1.00 0.00 N ATOM 1067 CA MET A 69 -3.396 0.400 -10.366 1.00 0.00 C ATOM 1068 C MET A 69 -3.792 1.019 -11.701 1.00 0.00 C ATOM 1069 O MET A 69 -3.791 2.240 -11.854 1.00 0.00 O ATOM 1070 CB MET A 69 -4.602 -0.304 -9.738 1.00 0.00 C ATOM 1071 CG MET A 69 -4.320 -0.878 -8.359 1.00 0.00 C ATOM 1072 SD MET A 69 -2.696 -1.651 -8.248 1.00 0.00 S ATOM 1073 CE MET A 69 -2.864 -2.970 -9.448 1.00 0.00 C ATOM 0 H MET A 69 -3.474 1.614 -8.658 1.00 0.00 H new ATOM 0 HA MET A 69 -2.609 -0.332 -10.546 1.00 0.00 H new ATOM 0 HB2 MET A 69 -5.428 0.403 -9.666 1.00 0.00 H new ATOM 0 HB3 MET A 69 -4.927 -1.108 -10.398 1.00 0.00 H new ATOM 0 HG2 MET A 69 -4.391 -0.083 -7.617 1.00 0.00 H new ATOM 0 HG3 MET A 69 -5.086 -1.613 -8.112 1.00 0.00 H new ATOM 0 HE1 MET A 69 -1.879 -3.368 -9.691 1.00 0.00 H new ATOM 0 HE2 MET A 69 -3.484 -3.764 -9.031 1.00 0.00 H new ATOM 0 HE3 MET A 69 -3.332 -2.582 -10.353 1.00 0.00 H new ATOM 1083 N GLU A 70 -4.128 0.169 -12.667 1.00 0.00 N ATOM 1084 CA GLU A 70 -4.526 0.634 -13.990 1.00 0.00 C ATOM 1085 C GLU A 70 -5.927 1.238 -13.957 1.00 0.00 C ATOM 1086 O GLU A 70 -6.205 2.227 -14.636 1.00 0.00 O ATOM 1087 CB GLU A 70 -4.478 -0.518 -14.996 1.00 0.00 C ATOM 1088 CG GLU A 70 -4.747 -0.088 -16.428 1.00 0.00 C ATOM 1089 CD GLU A 70 -5.522 -1.127 -17.214 1.00 0.00 C ATOM 1090 OE1 GLU A 70 -5.314 -2.334 -16.966 1.00 0.00 O ATOM 1091 OE2 GLU A 70 -6.337 -0.735 -18.076 1.00 0.00 O ATOM 0 H GLU A 70 -4.132 -0.845 -12.558 1.00 0.00 H new ATOM 0 HA GLU A 70 -3.824 1.408 -14.301 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -3.498 -0.992 -14.946 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -5.211 -1.271 -14.708 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -5.304 0.849 -16.423 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -3.799 0.108 -16.929 1.00 0.00 H new ATOM 1098 N THR A 71 -6.805 0.635 -13.163 1.00 0.00 N ATOM 1099 CA THR A 71 -8.177 1.110 -13.041 1.00 0.00 C ATOM 1100 C THR A 71 -8.633 1.109 -11.587 1.00 0.00 C ATOM 1101 O THR A 71 -7.863 0.778 -10.685 1.00 0.00 O ATOM 1102 CB THR A 71 -9.146 0.248 -13.872 1.00 0.00 C ATOM 1103 OG1 THR A 71 -9.433 -0.972 -13.179 1.00 0.00 O ATOM 1104 CG2 THR A 71 -8.556 -0.065 -15.239 1.00 0.00 C ATOM 0 H THR A 71 -6.590 -0.184 -12.594 1.00 0.00 H new ATOM 0 HA THR A 71 -8.192 2.131 -13.422 1.00 0.00 H new ATOM 0 HB THR A 71 -10.069 0.811 -14.013 1.00 0.00 H new ATOM 0 HG1 THR A 71 -10.051 -1.514 -13.713 1.00 0.00 H new ATOM 0 HG21 THR A 71 -9.258 -0.675 -15.807 1.00 0.00 H new ATOM 0 HG22 THR A 71 -8.366 0.865 -15.775 1.00 0.00 H new ATOM 0 HG23 THR A 71 -7.620 -0.610 -15.115 1.00 0.00 H new ATOM 1112 N ARG A 72 -9.890 1.482 -11.365 1.00 0.00 N ATOM 1113 CA ARG A 72 -10.448 1.524 -10.019 1.00 0.00 C ATOM 1114 C ARG A 72 -10.795 0.121 -9.530 1.00 0.00 C ATOM 1115 O ARG A 72 -10.542 -0.225 -8.377 1.00 0.00 O ATOM 1116 CB ARG A 72 -11.695 2.410 -9.988 1.00 0.00 C ATOM 1117 CG ARG A 72 -11.733 3.368 -8.809 1.00 0.00 C ATOM 1118 CD ARG A 72 -12.299 4.721 -9.208 1.00 0.00 C ATOM 1119 NE ARG A 72 -13.284 5.209 -8.248 1.00 0.00 N ATOM 1120 CZ ARG A 72 -12.975 5.613 -7.020 1.00 0.00 C ATOM 1121 NH1 ARG A 72 -11.716 5.589 -6.608 1.00 0.00 N ATOM 1122 NH2 ARG A 72 -13.928 6.043 -6.203 1.00 0.00 N ATOM 0 H ARG A 72 -10.540 1.759 -12.100 1.00 0.00 H new ATOM 0 HA ARG A 72 -9.695 1.946 -9.354 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -11.745 2.984 -10.913 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -12.581 1.775 -9.958 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -12.339 2.940 -8.011 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -10.726 3.497 -8.411 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -11.487 5.443 -9.292 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -12.760 4.644 -10.193 1.00 0.00 H new ATOM 0 HE ARG A 72 -14.262 5.242 -8.535 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -10.981 5.260 -7.234 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -11.482 5.900 -5.665 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -14.898 6.064 -6.517 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -13.690 6.353 -5.261 1.00 0.00 H new ATOM 1136 N GLU A 73 -11.377 -0.682 -10.416 1.00 0.00 N ATOM 1137 CA GLU A 73 -11.759 -2.047 -10.074 1.00 0.00 C ATOM 1138 C GLU A 73 -10.589 -2.799 -9.446 1.00 0.00 C ATOM 1139 O GLU A 73 -10.758 -3.522 -8.464 1.00 0.00 O ATOM 1140 CB GLU A 73 -12.249 -2.790 -11.318 1.00 0.00 C ATOM 1141 CG GLU A 73 -13.595 -2.304 -11.827 1.00 0.00 C ATOM 1142 CD GLU A 73 -14.639 -3.403 -11.859 1.00 0.00 C ATOM 1143 OE1 GLU A 73 -14.689 -4.144 -12.863 1.00 0.00 O ATOM 1144 OE2 GLU A 73 -15.406 -3.521 -10.880 1.00 0.00 O ATOM 0 H GLU A 73 -11.594 -0.411 -11.375 1.00 0.00 H new ATOM 0 HA GLU A 73 -12.569 -1.999 -9.346 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -11.509 -2.681 -12.111 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -12.318 -3.854 -11.091 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -13.948 -1.492 -11.191 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -13.473 -1.894 -12.830 1.00 0.00 H new ATOM 1151 N ASP A 74 -9.404 -2.622 -10.020 1.00 0.00 N ATOM 1152 CA ASP A 74 -8.205 -3.283 -9.517 1.00 0.00 C ATOM 1153 C ASP A 74 -7.861 -2.791 -8.115 1.00 0.00 C ATOM 1154 O ASP A 74 -7.946 -3.542 -7.144 1.00 0.00 O ATOM 1155 CB ASP A 74 -7.028 -3.036 -10.461 1.00 0.00 C ATOM 1156 CG ASP A 74 -7.394 -3.263 -11.915 1.00 0.00 C ATOM 1157 OD1 ASP A 74 -8.246 -4.135 -12.183 1.00 0.00 O ATOM 1158 OD2 ASP A 74 -6.828 -2.567 -12.784 1.00 0.00 O ATOM 0 H ASP A 74 -9.248 -2.027 -10.833 1.00 0.00 H new ATOM 0 HA ASP A 74 -8.403 -4.354 -9.468 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -6.673 -2.013 -10.334 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -6.204 -3.696 -10.190 1.00 0.00 H new ATOM 1163 N ALA A 75 -7.470 -1.524 -8.018 1.00 0.00 N ATOM 1164 CA ALA A 75 -7.114 -0.931 -6.734 1.00 0.00 C ATOM 1165 C ALA A 75 -8.150 -1.266 -5.668 1.00 0.00 C ATOM 1166 O ALA A 75 -7.805 -1.657 -4.553 1.00 0.00 O ATOM 1167 CB ALA A 75 -6.965 0.576 -6.872 1.00 0.00 C ATOM 0 H ALA A 75 -7.392 -0.889 -8.812 1.00 0.00 H new ATOM 0 HA ALA A 75 -6.159 -1.352 -6.420 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -6.699 1.005 -5.906 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -6.182 0.799 -7.596 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -7.907 1.005 -7.213 1.00 0.00 H new ATOM 1173 N MET A 76 -9.424 -1.111 -6.016 1.00 0.00 N ATOM 1174 CA MET A 76 -10.511 -1.397 -5.088 1.00 0.00 C ATOM 1175 C MET A 76 -10.487 -2.861 -4.659 1.00 0.00 C ATOM 1176 O MET A 76 -10.466 -3.168 -3.468 1.00 0.00 O ATOM 1177 CB MET A 76 -11.859 -1.064 -5.729 1.00 0.00 C ATOM 1178 CG MET A 76 -11.967 0.377 -6.200 1.00 0.00 C ATOM 1179 SD MET A 76 -13.000 1.385 -5.120 1.00 0.00 S ATOM 1180 CE MET A 76 -11.867 2.711 -4.710 1.00 0.00 C ATOM 0 H MET A 76 -9.728 -0.789 -6.935 1.00 0.00 H new ATOM 0 HA MET A 76 -10.374 -0.774 -4.204 1.00 0.00 H new ATOM 0 HB2 MET A 76 -12.023 -1.728 -6.577 1.00 0.00 H new ATOM 0 HB3 MET A 76 -12.653 -1.263 -5.010 1.00 0.00 H new ATOM 0 HG2 MET A 76 -10.970 0.813 -6.253 1.00 0.00 H new ATOM 0 HG3 MET A 76 -12.377 0.395 -7.210 1.00 0.00 H new ATOM 0 HE1 MET A 76 -11.616 2.661 -3.650 1.00 0.00 H new ATOM 0 HE2 MET A 76 -10.958 2.610 -5.303 1.00 0.00 H new ATOM 0 HE3 MET A 76 -12.336 3.671 -4.926 1.00 0.00 H new ATOM 1190 N ALA A 77 -10.492 -3.761 -5.637 1.00 0.00 N ATOM 1191 CA ALA A 77 -10.469 -5.191 -5.361 1.00 0.00 C ATOM 1192 C ALA A 77 -9.335 -5.547 -4.405 1.00 0.00 C ATOM 1193 O ALA A 77 -9.405 -6.545 -3.689 1.00 0.00 O ATOM 1194 CB ALA A 77 -10.337 -5.978 -6.656 1.00 0.00 C ATOM 0 H ALA A 77 -10.512 -3.524 -6.629 1.00 0.00 H new ATOM 0 HA ALA A 77 -11.411 -5.458 -4.882 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -10.321 -7.045 -6.433 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -11.184 -5.755 -7.305 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -9.411 -5.699 -7.159 1.00 0.00 H new ATOM 1200 N MET A 78 -8.291 -4.725 -4.401 1.00 0.00 N ATOM 1201 CA MET A 78 -7.142 -4.954 -3.532 1.00 0.00 C ATOM 1202 C MET A 78 -7.471 -4.592 -2.088 1.00 0.00 C ATOM 1203 O MET A 78 -7.375 -5.429 -1.190 1.00 0.00 O ATOM 1204 CB MET A 78 -5.941 -4.139 -4.015 1.00 0.00 C ATOM 1205 CG MET A 78 -4.601 -4.734 -3.612 1.00 0.00 C ATOM 1206 SD MET A 78 -3.202 -3.778 -4.229 1.00 0.00 S ATOM 1207 CE MET A 78 -1.954 -4.177 -3.009 1.00 0.00 C ATOM 0 H MET A 78 -8.217 -3.895 -4.989 1.00 0.00 H new ATOM 0 HA MET A 78 -6.892 -6.014 -3.573 1.00 0.00 H new ATOM 0 HB2 MET A 78 -5.981 -4.057 -5.101 1.00 0.00 H new ATOM 0 HB3 MET A 78 -6.015 -3.127 -3.616 1.00 0.00 H new ATOM 0 HG2 MET A 78 -4.546 -4.791 -2.525 1.00 0.00 H new ATOM 0 HG3 MET A 78 -4.533 -5.755 -3.989 1.00 0.00 H new ATOM 0 HE1 MET A 78 -1.496 -3.258 -2.643 1.00 0.00 H new ATOM 0 HE2 MET A 78 -2.415 -4.709 -2.177 1.00 0.00 H new ATOM 0 HE3 MET A 78 -1.190 -4.808 -3.463 1.00 0.00 H new ATOM 1217 N VAL A 79 -7.860 -3.339 -1.870 1.00 0.00 N ATOM 1218 CA VAL A 79 -8.204 -2.867 -0.535 1.00 0.00 C ATOM 1219 C VAL A 79 -9.386 -3.644 0.035 1.00 0.00 C ATOM 1220 O VAL A 79 -9.564 -3.718 1.251 1.00 0.00 O ATOM 1221 CB VAL A 79 -8.546 -1.365 -0.543 1.00 0.00 C ATOM 1222 CG1 VAL A 79 -7.419 -0.563 -1.173 1.00 0.00 C ATOM 1223 CG2 VAL A 79 -9.859 -1.122 -1.273 1.00 0.00 C ATOM 0 H VAL A 79 -7.944 -2.633 -2.602 1.00 0.00 H new ATOM 0 HA VAL A 79 -7.329 -3.030 0.095 1.00 0.00 H new ATOM 0 HB VAL A 79 -8.663 -1.031 0.488 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -7.679 0.495 -1.169 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -6.502 -0.713 -0.602 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -7.266 -0.895 -2.200 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -10.085 -0.056 -1.269 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -9.773 -1.471 -2.302 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -10.660 -1.665 -0.771 1.00 0.00 H new ATOM 1233 N ASP A 80 -10.189 -4.221 -0.850 1.00 0.00 N ATOM 1234 CA ASP A 80 -11.354 -4.994 -0.435 1.00 0.00 C ATOM 1235 C ASP A 80 -10.940 -6.375 0.062 1.00 0.00 C ATOM 1236 O ASP A 80 -11.428 -6.850 1.088 1.00 0.00 O ATOM 1237 CB ASP A 80 -12.342 -5.131 -1.595 1.00 0.00 C ATOM 1238 CG ASP A 80 -13.753 -4.739 -1.203 1.00 0.00 C ATOM 1239 OD1 ASP A 80 -14.413 -5.529 -0.495 1.00 0.00 O ATOM 1240 OD2 ASP A 80 -14.198 -3.643 -1.605 1.00 0.00 O ATOM 0 H ASP A 80 -10.055 -4.169 -1.860 1.00 0.00 H new ATOM 0 HA ASP A 80 -11.839 -4.463 0.384 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -12.012 -4.507 -2.425 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -12.340 -6.161 -1.951 1.00 0.00 H new ATOM 1245 N HIS A 81 -10.037 -7.018 -0.673 1.00 0.00 N ATOM 1246 CA HIS A 81 -9.558 -8.345 -0.307 1.00 0.00 C ATOM 1247 C HIS A 81 -8.894 -8.324 1.066 1.00 0.00 C ATOM 1248 O HIS A 81 -8.752 -9.362 1.714 1.00 0.00 O ATOM 1249 CB HIS A 81 -8.571 -8.861 -1.355 1.00 0.00 C ATOM 1250 CG HIS A 81 -8.211 -10.304 -1.180 1.00 0.00 C ATOM 1251 ND1 HIS A 81 -7.102 -10.724 -0.477 1.00 0.00 N ATOM 1252 CD2 HIS A 81 -8.822 -11.429 -1.621 1.00 0.00 C ATOM 1253 CE1 HIS A 81 -7.045 -12.044 -0.494 1.00 0.00 C ATOM 1254 NE2 HIS A 81 -8.078 -12.496 -1.182 1.00 0.00 N ATOM 0 H HIS A 81 -9.623 -6.641 -1.525 1.00 0.00 H new ATOM 0 HA HIS A 81 -10.417 -9.015 -0.266 1.00 0.00 H new ATOM 0 HB2 HIS A 81 -9.000 -8.720 -2.347 1.00 0.00 H new ATOM 0 HB3 HIS A 81 -7.662 -8.261 -1.313 1.00 0.00 H new ATOM 0 HD2 HIS A 81 -9.727 -11.478 -2.209 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -6.284 -12.650 -0.025 1.00 0.00 H new ATOM 0 HE2 HIS A 81 -8.289 -13.478 -1.358 1.00 0.00 H new ATOM 1262 N CYS A 82 -8.489 -7.137 1.504 1.00 0.00 N ATOM 1263 CA CYS A 82 -7.839 -6.980 2.800 1.00 0.00 C ATOM 1264 C CYS A 82 -8.869 -6.939 3.924 1.00 0.00 C ATOM 1265 O CYS A 82 -8.566 -7.266 5.072 1.00 0.00 O ATOM 1266 CB CYS A 82 -6.993 -5.707 2.819 1.00 0.00 C ATOM 1267 SG CYS A 82 -6.081 -5.450 4.359 1.00 0.00 S ATOM 0 H CYS A 82 -8.599 -6.269 0.980 1.00 0.00 H new ATOM 0 HA CYS A 82 -7.189 -7.841 2.959 1.00 0.00 H new ATOM 0 HB2 CYS A 82 -6.285 -5.742 1.991 1.00 0.00 H new ATOM 0 HB3 CYS A 82 -7.643 -4.849 2.647 1.00 0.00 H new ATOM 0 HG CYS A 82 -6.685 -6.070 5.329 1.00 0.00 H new ATOM 1273 N LEU A 83 -10.088 -6.533 3.587 1.00 0.00 N ATOM 1274 CA LEU A 83 -11.165 -6.446 4.568 1.00 0.00 C ATOM 1275 C LEU A 83 -11.623 -7.836 4.998 1.00 0.00 C ATOM 1276 O LEU A 83 -11.698 -8.135 6.190 1.00 0.00 O ATOM 1277 CB LEU A 83 -12.346 -5.663 3.990 1.00 0.00 C ATOM 1278 CG LEU A 83 -12.024 -4.277 3.432 1.00 0.00 C ATOM 1279 CD1 LEU A 83 -13.244 -3.680 2.748 1.00 0.00 C ATOM 1280 CD2 LEU A 83 -11.527 -3.358 4.539 1.00 0.00 C ATOM 0 H LEU A 83 -10.356 -6.259 2.642 1.00 0.00 H new ATOM 0 HA LEU A 83 -10.784 -5.922 5.444 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -12.796 -6.257 3.195 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -13.099 -5.553 4.770 1.00 0.00 H new ATOM 0 HG LEU A 83 -11.232 -4.380 2.690 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -12.996 -2.693 2.357 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -13.555 -4.328 1.928 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -14.057 -3.591 3.468 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -11.303 -2.376 4.123 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -12.297 -3.261 5.304 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -10.625 -3.778 4.983 1.00 0.00 H new ATOM 1292 N LYS A 84 -11.926 -8.682 4.020 1.00 0.00 N ATOM 1293 CA LYS A 84 -12.373 -10.043 4.296 1.00 0.00 C ATOM 1294 C LYS A 84 -11.221 -10.901 4.808 1.00 0.00 C ATOM 1295 O LYS A 84 -11.355 -11.606 5.809 1.00 0.00 O ATOM 1296 CB LYS A 84 -12.969 -10.671 3.034 1.00 0.00 C ATOM 1297 CG LYS A 84 -14.247 -9.998 2.564 1.00 0.00 C ATOM 1298 CD LYS A 84 -14.015 -9.178 1.306 1.00 0.00 C ATOM 1299 CE LYS A 84 -14.143 -10.032 0.053 1.00 0.00 C ATOM 1300 NZ LYS A 84 -13.071 -9.729 -0.935 1.00 0.00 N ATOM 0 H LYS A 84 -11.870 -8.450 3.028 1.00 0.00 H new ATOM 0 HA LYS A 84 -13.140 -9.997 5.069 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -12.230 -10.628 2.234 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -13.172 -11.725 3.224 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -15.008 -10.754 2.371 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -14.632 -9.353 3.354 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -14.735 -8.360 1.265 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -13.023 -8.728 1.341 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -14.098 -11.086 0.326 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -15.118 -9.862 -0.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -13.350 -10.086 -1.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -12.927 -8.700 -0.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -12.186 -10.189 -0.639 1.00 0.00 H new ATOM 1314 N LYS A 85 -10.088 -10.836 4.117 1.00 0.00 N ATOM 1315 CA LYS A 85 -8.911 -11.605 4.504 1.00 0.00 C ATOM 1316 C LYS A 85 -7.714 -10.687 4.735 1.00 0.00 C ATOM 1317 O LYS A 85 -7.456 -9.778 3.947 1.00 0.00 O ATOM 1318 CB LYS A 85 -8.574 -12.637 3.426 1.00 0.00 C ATOM 1319 CG LYS A 85 -9.776 -13.438 2.954 1.00 0.00 C ATOM 1320 CD LYS A 85 -9.915 -13.396 1.442 1.00 0.00 C ATOM 1321 CE LYS A 85 -11.198 -14.071 0.982 1.00 0.00 C ATOM 1322 NZ LYS A 85 -11.135 -15.550 1.147 1.00 0.00 N ATOM 0 H LYS A 85 -9.960 -10.259 3.286 1.00 0.00 H new ATOM 0 HA LYS A 85 -9.136 -12.123 5.437 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -8.130 -12.126 2.572 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -7.821 -13.323 3.814 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -9.677 -14.473 3.283 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -10.681 -13.043 3.415 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -9.906 -12.360 1.103 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -9.058 -13.889 0.983 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -12.040 -13.677 1.551 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -11.380 -13.830 -0.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -12.028 -15.974 0.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -10.347 -15.929 0.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -10.986 -15.781 2.150 1.00 0.00 H new ATOM 1336 N ALA A 86 -6.986 -10.933 5.820 1.00 0.00 N ATOM 1337 CA ALA A 86 -5.816 -10.131 6.152 1.00 0.00 C ATOM 1338 C ALA A 86 -4.685 -10.371 5.156 1.00 0.00 C ATOM 1339 O ALA A 86 -4.117 -11.462 5.096 1.00 0.00 O ATOM 1340 CB ALA A 86 -5.349 -10.441 7.567 1.00 0.00 C ATOM 0 H ALA A 86 -7.187 -11.681 6.483 1.00 0.00 H new ATOM 0 HA ALA A 86 -6.098 -9.080 6.095 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -4.474 -9.835 7.802 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -6.148 -10.213 8.272 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -5.090 -11.497 7.641 1.00 0.00 H new ATOM 1346 N LEU A 87 -4.365 -9.345 4.375 1.00 0.00 N ATOM 1347 CA LEU A 87 -3.303 -9.443 3.380 1.00 0.00 C ATOM 1348 C LEU A 87 -1.932 -9.473 4.048 1.00 0.00 C ATOM 1349 O LEU A 87 -1.468 -8.464 4.580 1.00 0.00 O ATOM 1350 CB LEU A 87 -3.382 -8.269 2.402 1.00 0.00 C ATOM 1351 CG LEU A 87 -2.840 -8.529 0.996 1.00 0.00 C ATOM 1352 CD1 LEU A 87 -3.722 -7.862 -0.047 1.00 0.00 C ATOM 1353 CD2 LEU A 87 -1.405 -8.037 0.878 1.00 0.00 C ATOM 0 H LEU A 87 -4.826 -8.436 4.412 1.00 0.00 H new ATOM 0 HA LEU A 87 -3.439 -10.374 2.830 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -4.425 -7.963 2.317 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -2.837 -7.428 2.830 1.00 0.00 H new ATOM 0 HG LEU A 87 -2.850 -9.604 0.816 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -3.321 -8.058 -1.041 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -4.733 -8.263 0.022 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -3.745 -6.787 0.130 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -1.036 -8.230 -0.129 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -1.370 -6.966 1.078 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -0.780 -8.562 1.601 1.00 0.00 H new ATOM 1365 N TRP A 88 -1.288 -10.634 4.013 1.00 0.00 N ATOM 1366 CA TRP A 88 0.032 -10.793 4.613 1.00 0.00 C ATOM 1367 C TRP A 88 1.113 -10.860 3.541 1.00 0.00 C ATOM 1368 O TRP A 88 1.171 -11.812 2.762 1.00 0.00 O ATOM 1369 CB TRP A 88 0.073 -12.055 5.477 1.00 0.00 C ATOM 1370 CG TRP A 88 -0.522 -11.863 6.839 1.00 0.00 C ATOM 1371 CD1 TRP A 88 -1.834 -12.016 7.189 1.00 0.00 C ATOM 1372 CD2 TRP A 88 0.171 -11.480 8.031 1.00 0.00 C ATOM 1373 NE1 TRP A 88 -1.996 -11.751 8.528 1.00 0.00 N ATOM 1374 CE2 TRP A 88 -0.782 -11.421 9.066 1.00 0.00 C ATOM 1375 CE3 TRP A 88 1.505 -11.182 8.325 1.00 0.00 C ATOM 1376 CZ2 TRP A 88 -0.441 -11.076 10.372 1.00 0.00 C ATOM 1377 CZ3 TRP A 88 1.841 -10.840 9.621 1.00 0.00 C ATOM 1378 CH2 TRP A 88 0.871 -10.789 10.632 1.00 0.00 C ATOM 0 H TRP A 88 -1.658 -11.478 3.576 1.00 0.00 H new ATOM 0 HA TRP A 88 0.225 -9.924 5.242 1.00 0.00 H new ATOM 0 HB2 TRP A 88 -0.462 -12.855 4.965 1.00 0.00 H new ATOM 0 HB3 TRP A 88 1.108 -12.380 5.583 1.00 0.00 H new ATOM 0 HD1 TRP A 88 -2.626 -12.303 6.514 1.00 0.00 H new ATOM 0 HE1 TRP A 88 -2.878 -11.793 9.038 1.00 0.00 H new ATOM 0 HE3 TRP A 88 2.259 -11.218 7.553 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 -1.187 -11.037 11.152 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 2.869 -10.608 9.859 1.00 0.00 H new ATOM 0 HH2 TRP A 88 1.165 -10.518 11.635 1.00 0.00 H new ATOM 1389 N PHE A 89 1.970 -9.845 3.505 1.00 0.00 N ATOM 1390 CA PHE A 89 3.050 -9.790 2.527 1.00 0.00 C ATOM 1391 C PHE A 89 4.293 -10.505 3.048 1.00 0.00 C ATOM 1392 O PHE A 89 5.093 -9.925 3.780 1.00 0.00 O ATOM 1393 CB PHE A 89 3.388 -8.336 2.191 1.00 0.00 C ATOM 1394 CG PHE A 89 4.668 -8.180 1.421 1.00 0.00 C ATOM 1395 CD1 PHE A 89 4.971 -9.037 0.375 1.00 0.00 C ATOM 1396 CD2 PHE A 89 5.568 -7.177 1.742 1.00 0.00 C ATOM 1397 CE1 PHE A 89 6.148 -8.897 -0.334 1.00 0.00 C ATOM 1398 CE2 PHE A 89 6.746 -7.031 1.036 1.00 0.00 C ATOM 1399 CZ PHE A 89 7.037 -7.892 -0.005 1.00 0.00 C ATOM 0 H PHE A 89 1.937 -9.049 4.142 1.00 0.00 H new ATOM 0 HA PHE A 89 2.713 -10.297 1.622 1.00 0.00 H new ATOM 0 HB2 PHE A 89 2.571 -7.906 1.612 1.00 0.00 H new ATOM 0 HB3 PHE A 89 3.458 -7.765 3.117 1.00 0.00 H new ATOM 0 HD1 PHE A 89 4.279 -9.823 0.111 1.00 0.00 H new ATOM 0 HD2 PHE A 89 5.346 -6.501 2.554 1.00 0.00 H new ATOM 0 HE1 PHE A 89 6.373 -9.573 -1.145 1.00 0.00 H new ATOM 0 HE2 PHE A 89 7.439 -6.245 1.297 1.00 0.00 H new ATOM 0 HZ PHE A 89 7.957 -7.780 -0.560 1.00 0.00 H new ATOM 1409 N GLN A 90 4.446 -11.768 2.664 1.00 0.00 N ATOM 1410 CA GLN A 90 5.591 -12.563 3.093 1.00 0.00 C ATOM 1411 C GLN A 90 5.410 -13.047 4.528 1.00 0.00 C ATOM 1412 O GLN A 90 5.227 -14.239 4.774 1.00 0.00 O ATOM 1413 CB GLN A 90 6.878 -11.747 2.976 1.00 0.00 C ATOM 1414 CG GLN A 90 6.937 -10.879 1.730 1.00 0.00 C ATOM 1415 CD GLN A 90 8.321 -10.837 1.112 1.00 0.00 C ATOM 1416 OE1 GLN A 90 8.820 -11.844 0.609 1.00 0.00 O ATOM 1417 NE2 GLN A 90 8.950 -9.668 1.145 1.00 0.00 N ATOM 0 H GLN A 90 3.792 -12.263 2.057 1.00 0.00 H new ATOM 0 HA GLN A 90 5.662 -13.434 2.441 1.00 0.00 H new ATOM 0 HB2 GLN A 90 6.977 -11.112 3.856 1.00 0.00 H new ATOM 0 HB3 GLN A 90 7.730 -12.426 2.976 1.00 0.00 H new ATOM 0 HG2 GLN A 90 6.226 -11.257 0.995 1.00 0.00 H new ATOM 0 HG3 GLN A 90 6.625 -9.866 1.983 1.00 0.00 H new ATOM 0 HE21 GLN A 90 8.500 -8.858 1.572 1.00 0.00 H new ATOM 0 HE22 GLN A 90 9.883 -9.580 0.744 1.00 0.00 H new ATOM 1426 N GLY A 91 5.463 -12.114 5.473 1.00 0.00 N ATOM 1427 CA GLY A 91 5.304 -12.465 6.873 1.00 0.00 C ATOM 1428 C GLY A 91 4.861 -11.287 7.719 1.00 0.00 C ATOM 1429 O GLY A 91 4.987 -11.312 8.943 1.00 0.00 O ATOM 0 H GLY A 91 5.613 -11.121 5.295 1.00 0.00 H new ATOM 0 HA2 GLY A 91 4.572 -13.268 6.962 1.00 0.00 H new ATOM 0 HA3 GLY A 91 6.248 -12.850 7.258 1.00 0.00 H new ATOM 1433 N ARG A 92 4.343 -10.253 7.066 1.00 0.00 N ATOM 1434 CA ARG A 92 3.884 -9.060 7.766 1.00 0.00 C ATOM 1435 C ARG A 92 2.435 -8.743 7.407 1.00 0.00 C ATOM 1436 O ARG A 92 1.968 -9.075 6.317 1.00 0.00 O ATOM 1437 CB ARG A 92 4.777 -7.866 7.426 1.00 0.00 C ATOM 1438 CG ARG A 92 6.240 -8.080 7.780 1.00 0.00 C ATOM 1439 CD ARG A 92 6.668 -7.195 8.941 1.00 0.00 C ATOM 1440 NE ARG A 92 6.116 -7.655 10.212 1.00 0.00 N ATOM 1441 CZ ARG A 92 6.549 -7.236 11.396 1.00 0.00 C ATOM 1442 NH1 ARG A 92 7.533 -6.350 11.470 1.00 0.00 N ATOM 1443 NH2 ARG A 92 5.996 -7.701 12.508 1.00 0.00 N ATOM 0 H ARG A 92 4.231 -10.217 6.053 1.00 0.00 H new ATOM 0 HA ARG A 92 3.942 -9.254 8.837 1.00 0.00 H new ATOM 0 HB2 ARG A 92 4.697 -7.655 6.360 1.00 0.00 H new ATOM 0 HB3 ARG A 92 4.409 -6.986 7.953 1.00 0.00 H new ATOM 0 HG2 ARG A 92 6.403 -9.126 8.039 1.00 0.00 H new ATOM 0 HG3 ARG A 92 6.861 -7.866 6.910 1.00 0.00 H new ATOM 0 HD2 ARG A 92 7.756 -7.179 9.003 1.00 0.00 H new ATOM 0 HD3 ARG A 92 6.344 -6.171 8.755 1.00 0.00 H new ATOM 0 HE ARG A 92 5.356 -8.335 10.190 1.00 0.00 H new ATOM 0 HH11 ARG A 92 7.959 -5.989 10.617 1.00 0.00 H new ATOM 0 HH12 ARG A 92 7.864 -6.030 12.380 1.00 0.00 H new ATOM 0 HH21 ARG A 92 5.238 -8.381 12.455 1.00 0.00 H new ATOM 0 HH22 ARG A 92 6.329 -7.379 13.417 1.00 0.00 H new ATOM 1457 N CYS A 93 1.729 -8.098 8.330 1.00 0.00 N ATOM 1458 CA CYS A 93 0.333 -7.738 8.110 1.00 0.00 C ATOM 1459 C CYS A 93 0.220 -6.338 7.516 1.00 0.00 C ATOM 1460 O CYS A 93 -0.454 -5.469 8.070 1.00 0.00 O ATOM 1461 CB CYS A 93 -0.447 -7.811 9.424 1.00 0.00 C ATOM 1462 SG CYS A 93 -2.240 -7.685 9.227 1.00 0.00 S ATOM 0 H CYS A 93 2.100 -7.814 9.237 1.00 0.00 H new ATOM 0 HA CYS A 93 -0.093 -8.449 7.402 1.00 0.00 H new ATOM 0 HB2 CYS A 93 -0.212 -8.752 9.921 1.00 0.00 H new ATOM 0 HB3 CYS A 93 -0.107 -7.010 10.081 1.00 0.00 H new ATOM 0 HG CYS A 93 -2.811 -7.759 10.393 1.00 0.00 H new ATOM 1468 N VAL A 94 0.886 -6.125 6.386 1.00 0.00 N ATOM 1469 CA VAL A 94 0.861 -4.829 5.716 1.00 0.00 C ATOM 1470 C VAL A 94 -0.567 -4.319 5.560 1.00 0.00 C ATOM 1471 O VAL A 94 -1.480 -5.082 5.241 1.00 0.00 O ATOM 1472 CB VAL A 94 1.524 -4.903 4.328 1.00 0.00 C ATOM 1473 CG1 VAL A 94 0.947 -6.055 3.521 1.00 0.00 C ATOM 1474 CG2 VAL A 94 1.355 -3.585 3.587 1.00 0.00 C ATOM 0 H VAL A 94 1.450 -6.833 5.915 1.00 0.00 H new ATOM 0 HA VAL A 94 1.424 -4.137 6.342 1.00 0.00 H new ATOM 0 HB VAL A 94 2.590 -5.084 4.463 1.00 0.00 H new ATOM 0 HG11 VAL A 94 1.428 -6.091 2.543 1.00 0.00 H new ATOM 0 HG12 VAL A 94 1.124 -6.993 4.047 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -0.125 -5.908 3.393 1.00 0.00 H new ATOM 0 HG21 VAL A 94 1.829 -3.655 2.608 1.00 0.00 H new ATOM 0 HG22 VAL A 94 0.293 -3.372 3.462 1.00 0.00 H new ATOM 0 HG23 VAL A 94 1.821 -2.783 4.160 1.00 0.00 H new ATOM 1484 N LYS A 95 -0.755 -3.023 5.784 1.00 0.00 N ATOM 1485 CA LYS A 95 -2.071 -2.408 5.667 1.00 0.00 C ATOM 1486 C LYS A 95 -2.268 -1.805 4.279 1.00 0.00 C ATOM 1487 O LYS A 95 -1.516 -0.924 3.862 1.00 0.00 O ATOM 1488 CB LYS A 95 -2.249 -1.326 6.734 1.00 0.00 C ATOM 1489 CG LYS A 95 -3.658 -1.252 7.296 1.00 0.00 C ATOM 1490 CD LYS A 95 -3.650 -1.147 8.812 1.00 0.00 C ATOM 1491 CE LYS A 95 -4.171 -2.419 9.462 1.00 0.00 C ATOM 1492 NZ LYS A 95 -3.822 -2.487 10.907 1.00 0.00 N ATOM 0 H LYS A 95 -0.011 -2.377 6.048 1.00 0.00 H new ATOM 0 HA LYS A 95 -2.821 -3.184 5.817 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -1.551 -1.514 7.550 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -1.986 -0.359 6.306 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -4.174 -0.390 6.874 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -4.218 -2.138 6.995 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -2.636 -0.949 9.159 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -4.263 -0.301 9.122 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -5.254 -2.468 9.347 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -3.756 -3.286 8.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -4.195 -3.369 11.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -2.788 -2.466 11.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -4.239 -1.674 11.403 1.00 0.00 H new ATOM 1506 N VAL A 96 -3.283 -2.284 3.569 1.00 0.00 N ATOM 1507 CA VAL A 96 -3.580 -1.790 2.230 1.00 0.00 C ATOM 1508 C VAL A 96 -4.911 -1.046 2.201 1.00 0.00 C ATOM 1509 O VAL A 96 -5.963 -1.624 2.473 1.00 0.00 O ATOM 1510 CB VAL A 96 -3.626 -2.940 1.205 1.00 0.00 C ATOM 1511 CG1 VAL A 96 -4.715 -3.937 1.569 1.00 0.00 C ATOM 1512 CG2 VAL A 96 -3.838 -2.393 -0.199 1.00 0.00 C ATOM 0 H VAL A 96 -3.914 -3.014 3.899 1.00 0.00 H new ATOM 0 HA VAL A 96 -2.777 -1.104 1.961 1.00 0.00 H new ATOM 0 HB VAL A 96 -2.669 -3.462 1.226 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -4.732 -4.742 0.834 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -4.513 -4.352 2.556 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -5.681 -3.433 1.578 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -3.868 -3.218 -0.910 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -4.780 -1.846 -0.238 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -3.018 -1.722 -0.456 1.00 0.00 H new ATOM 1522 N ASP A 97 -4.856 0.238 1.869 1.00 0.00 N ATOM 1523 CA ASP A 97 -6.057 1.063 1.802 1.00 0.00 C ATOM 1524 C ASP A 97 -5.949 2.093 0.682 1.00 0.00 C ATOM 1525 O ASP A 97 -4.886 2.674 0.460 1.00 0.00 O ATOM 1526 CB ASP A 97 -6.292 1.769 3.139 1.00 0.00 C ATOM 1527 CG ASP A 97 -6.714 0.809 4.234 1.00 0.00 C ATOM 1528 OD1 ASP A 97 -7.619 -0.015 3.985 1.00 0.00 O ATOM 1529 OD2 ASP A 97 -6.139 0.880 5.341 1.00 0.00 O ATOM 0 H ASP A 97 -3.993 0.731 1.642 1.00 0.00 H new ATOM 0 HA ASP A 97 -6.904 0.410 1.590 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -5.379 2.282 3.441 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -7.060 2.533 3.013 1.00 0.00 H new ATOM 1534 N LEU A 98 -7.054 2.312 -0.021 1.00 0.00 N ATOM 1535 CA LEU A 98 -7.083 3.271 -1.121 1.00 0.00 C ATOM 1536 C LEU A 98 -6.922 4.697 -0.604 1.00 0.00 C ATOM 1537 O LEU A 98 -7.664 5.137 0.274 1.00 0.00 O ATOM 1538 CB LEU A 98 -8.393 3.144 -1.900 1.00 0.00 C ATOM 1539 CG LEU A 98 -8.260 2.852 -3.395 1.00 0.00 C ATOM 1540 CD1 LEU A 98 -8.744 1.444 -3.709 1.00 0.00 C ATOM 1541 CD2 LEU A 98 -9.033 3.878 -4.210 1.00 0.00 C ATOM 0 H LEU A 98 -7.942 1.839 0.150 1.00 0.00 H new ATOM 0 HA LEU A 98 -6.249 3.049 -1.786 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -8.986 2.350 -1.447 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -8.955 4.070 -1.780 1.00 0.00 H new ATOM 0 HG LEU A 98 -7.207 2.921 -3.667 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -8.642 1.254 -4.777 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -8.146 0.721 -3.153 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -9.791 1.347 -3.422 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -8.927 3.654 -5.271 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -10.087 3.842 -3.935 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -8.640 4.874 -4.008 1.00 0.00 H new ATOM 1553 N SER A 99 -5.948 5.415 -1.155 1.00 0.00 N ATOM 1554 CA SER A 99 -5.689 6.791 -0.749 1.00 0.00 C ATOM 1555 C SER A 99 -6.297 7.775 -1.743 1.00 0.00 C ATOM 1556 O SER A 99 -5.844 7.879 -2.883 1.00 0.00 O ATOM 1557 CB SER A 99 -4.183 7.034 -0.629 1.00 0.00 C ATOM 1558 OG SER A 99 -3.859 7.616 0.621 1.00 0.00 O ATOM 0 H SER A 99 -5.325 5.066 -1.884 1.00 0.00 H new ATOM 0 HA SER A 99 -6.155 6.951 0.224 1.00 0.00 H new ATOM 0 HB2 SER A 99 -3.649 6.091 -0.744 1.00 0.00 H new ATOM 0 HB3 SER A 99 -3.852 7.688 -1.435 1.00 0.00 H new ATOM 0 HG SER A 99 -2.891 7.760 0.674 1.00 0.00 H new ATOM 1564 N GLU A 100 -7.324 8.494 -1.302 1.00 0.00 N ATOM 1565 CA GLU A 100 -7.994 9.469 -2.154 1.00 0.00 C ATOM 1566 C GLU A 100 -7.508 10.883 -1.850 1.00 0.00 C ATOM 1567 O GLU A 100 -8.306 11.807 -1.693 1.00 0.00 O ATOM 1568 CB GLU A 100 -9.510 9.388 -1.964 1.00 0.00 C ATOM 1569 CG GLU A 100 -10.299 10.100 -3.051 1.00 0.00 C ATOM 1570 CD GLU A 100 -10.289 9.347 -4.367 1.00 0.00 C ATOM 1571 OE1 GLU A 100 -10.267 8.098 -4.335 1.00 0.00 O ATOM 1572 OE2 GLU A 100 -10.302 10.005 -5.428 1.00 0.00 O ATOM 0 H GLU A 100 -7.710 8.420 -0.361 1.00 0.00 H new ATOM 0 HA GLU A 100 -7.751 9.235 -3.190 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -9.809 8.340 -1.937 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -9.770 9.818 -0.997 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -11.329 10.232 -2.720 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -9.883 11.096 -3.203 1.00 0.00 H new ATOM 1579 N LYS A 101 -6.192 11.044 -1.766 1.00 0.00 N ATOM 1580 CA LYS A 101 -5.596 12.344 -1.481 1.00 0.00 C ATOM 1581 C LYS A 101 -4.428 12.626 -2.422 1.00 0.00 C ATOM 1582 O LYS A 101 -4.244 13.755 -2.878 1.00 0.00 O ATOM 1583 CB LYS A 101 -5.119 12.402 -0.028 1.00 0.00 C ATOM 1584 CG LYS A 101 -4.127 13.520 0.242 1.00 0.00 C ATOM 1585 CD LYS A 101 -4.495 14.302 1.492 1.00 0.00 C ATOM 1586 CE LYS A 101 -3.946 15.720 1.444 1.00 0.00 C ATOM 1587 NZ LYS A 101 -3.873 16.332 2.799 1.00 0.00 N ATOM 0 H LYS A 101 -5.517 10.290 -1.891 1.00 0.00 H new ATOM 0 HA LYS A 101 -6.358 13.107 -1.638 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -5.983 12.529 0.624 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -4.659 11.449 0.233 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -3.127 13.101 0.355 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -4.095 14.194 -0.614 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -5.580 14.334 1.596 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -4.105 13.789 2.371 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -2.952 15.710 0.996 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -4.579 16.333 0.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -3.494 17.298 2.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -4.825 16.365 3.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -3.249 15.761 3.404 1.00 0.00 H new ATOM 1601 N TYR A 102 -3.644 11.593 -2.710 1.00 0.00 N ATOM 1602 CA TYR A 102 -2.494 11.730 -3.596 1.00 0.00 C ATOM 1603 C TYR A 102 -2.933 11.769 -5.056 1.00 0.00 C ATOM 1604 O TYR A 102 -2.434 12.570 -5.847 1.00 0.00 O ATOM 1605 CB TYR A 102 -1.515 10.575 -3.377 1.00 0.00 C ATOM 1606 CG TYR A 102 -0.623 10.758 -2.169 1.00 0.00 C ATOM 1607 CD1 TYR A 102 -1.149 11.170 -0.950 1.00 0.00 C ATOM 1608 CD2 TYR A 102 0.743 10.521 -2.248 1.00 0.00 C ATOM 1609 CE1 TYR A 102 -0.338 11.339 0.155 1.00 0.00 C ATOM 1610 CE2 TYR A 102 1.561 10.686 -1.147 1.00 0.00 C ATOM 1611 CZ TYR A 102 1.016 11.095 0.052 1.00 0.00 C ATOM 1612 OH TYR A 102 1.828 11.263 1.151 1.00 0.00 O ATOM 0 H TYR A 102 -3.784 10.652 -2.343 1.00 0.00 H new ATOM 0 HA TYR A 102 -1.995 12.670 -3.360 1.00 0.00 H new ATOM 0 HB2 TYR A 102 -2.078 9.649 -3.265 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -0.892 10.464 -4.265 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -2.209 11.361 -0.866 1.00 0.00 H new ATOM 0 HD2 TYR A 102 1.173 10.202 -3.186 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -0.762 11.661 1.095 1.00 0.00 H new ATOM 0 HE2 TYR A 102 2.621 10.496 -1.225 1.00 0.00 H new ATOM 0 HH TYR A 102 2.753 11.049 0.910 1.00 0.00 H new ATOM 1622 N LYS A 103 -3.872 10.897 -5.408 1.00 0.00 N ATOM 1623 CA LYS A 103 -4.382 10.831 -6.773 1.00 0.00 C ATOM 1624 C LYS A 103 -3.377 10.150 -7.697 1.00 0.00 C ATOM 1625 O LYS A 103 -3.606 9.036 -8.169 1.00 0.00 O ATOM 1626 CB LYS A 103 -4.698 12.236 -7.290 1.00 0.00 C ATOM 1627 CG LYS A 103 -5.657 12.250 -8.467 1.00 0.00 C ATOM 1628 CD LYS A 103 -4.995 12.796 -9.720 1.00 0.00 C ATOM 1629 CE LYS A 103 -4.958 14.317 -9.714 1.00 0.00 C ATOM 1630 NZ LYS A 103 -6.049 14.901 -10.543 1.00 0.00 N ATOM 0 H LYS A 103 -4.295 10.226 -4.767 1.00 0.00 H new ATOM 0 HA LYS A 103 -5.298 10.240 -6.764 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -5.124 12.825 -6.478 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -3.768 12.723 -7.584 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -6.017 11.239 -8.656 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -6.528 12.857 -8.221 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -3.980 12.407 -9.795 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -5.536 12.448 -10.600 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -5.047 14.679 -8.690 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -3.994 14.658 -10.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -5.990 15.939 -10.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -5.950 14.576 -11.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -6.970 14.596 -10.169 1.00 0.00 H new ATOM 1644 N LYS A 104 -2.263 10.828 -7.951 1.00 0.00 N ATOM 1645 CA LYS A 104 -1.220 10.288 -8.817 1.00 0.00 C ATOM 1646 C LYS A 104 0.100 10.158 -8.063 1.00 0.00 C ATOM 1647 O LYS A 104 0.207 10.561 -6.905 1.00 0.00 O ATOM 1648 CB LYS A 104 -1.032 11.184 -10.043 1.00 0.00 C ATOM 1649 CG LYS A 104 -1.323 10.483 -11.359 1.00 0.00 C ATOM 1650 CD LYS A 104 -0.201 10.692 -12.362 1.00 0.00 C ATOM 1651 CE LYS A 104 0.049 9.440 -13.188 1.00 0.00 C ATOM 1652 NZ LYS A 104 1.312 8.757 -12.792 1.00 0.00 N ATOM 0 H LYS A 104 -2.059 11.752 -7.570 1.00 0.00 H new ATOM 0 HA LYS A 104 -1.532 9.296 -9.143 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -1.684 12.052 -9.951 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -0.007 11.555 -10.058 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -1.460 9.416 -11.182 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -2.258 10.859 -11.774 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -0.453 11.521 -13.023 1.00 0.00 H new ATOM 0 HD3 LYS A 104 0.712 10.970 -11.835 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -0.788 8.753 -13.068 1.00 0.00 H new ATOM 0 HE3 LYS A 104 0.095 9.705 -14.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 1.446 7.908 -13.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 2.115 9.404 -12.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 1.258 8.481 -11.791 1.00 0.00 H new ATOM 1666 N LEU A 105 1.102 9.593 -8.728 1.00 0.00 N ATOM 1667 CA LEU A 105 2.416 9.411 -8.120 1.00 0.00 C ATOM 1668 C LEU A 105 3.486 10.163 -8.905 1.00 0.00 C ATOM 1669 O LEU A 105 3.187 10.858 -9.877 1.00 0.00 O ATOM 1670 CB LEU A 105 2.767 7.924 -8.054 1.00 0.00 C ATOM 1671 CG LEU A 105 1.804 7.043 -7.257 1.00 0.00 C ATOM 1672 CD1 LEU A 105 2.277 5.597 -7.259 1.00 0.00 C ATOM 1673 CD2 LEU A 105 1.666 7.558 -5.831 1.00 0.00 C ATOM 0 H LEU A 105 1.030 9.253 -9.687 1.00 0.00 H new ATOM 0 HA LEU A 105 2.381 9.815 -7.108 1.00 0.00 H new ATOM 0 HB2 LEU A 105 2.823 7.539 -9.072 1.00 0.00 H new ATOM 0 HB3 LEU A 105 3.762 7.825 -7.621 1.00 0.00 H new ATOM 0 HG LEU A 105 0.825 7.085 -7.734 1.00 0.00 H new ATOM 0 HD11 LEU A 105 1.579 4.985 -6.687 1.00 0.00 H new ATOM 0 HD12 LEU A 105 2.324 5.231 -8.285 1.00 0.00 H new ATOM 0 HD13 LEU A 105 3.267 5.537 -6.807 1.00 0.00 H new ATOM 0 HD21 LEU A 105 0.977 6.919 -5.278 1.00 0.00 H new ATOM 0 HD22 LEU A 105 2.641 7.547 -5.344 1.00 0.00 H new ATOM 0 HD23 LEU A 105 1.281 8.578 -5.848 1.00 0.00 H new ATOM 1685 N VAL A 106 4.737 10.018 -8.477 1.00 0.00 N ATOM 1686 CA VAL A 106 5.854 10.681 -9.141 1.00 0.00 C ATOM 1687 C VAL A 106 5.733 12.197 -9.037 1.00 0.00 C ATOM 1688 O VAL A 106 4.948 12.818 -9.752 1.00 0.00 O ATOM 1689 CB VAL A 106 5.938 10.285 -10.627 1.00 0.00 C ATOM 1690 CG1 VAL A 106 7.212 10.832 -11.254 1.00 0.00 C ATOM 1691 CG2 VAL A 106 5.866 8.773 -10.780 1.00 0.00 C ATOM 0 H VAL A 106 5.002 9.448 -7.674 1.00 0.00 H new ATOM 0 HA VAL A 106 6.762 10.356 -8.634 1.00 0.00 H new ATOM 0 HB VAL A 106 5.087 10.721 -11.150 1.00 0.00 H new ATOM 0 HG11 VAL A 106 7.254 10.542 -12.304 1.00 0.00 H new ATOM 0 HG12 VAL A 106 7.218 11.919 -11.177 1.00 0.00 H new ATOM 0 HG13 VAL A 106 8.078 10.427 -10.731 1.00 0.00 H new ATOM 0 HG21 VAL A 106 5.927 8.511 -11.836 1.00 0.00 H new ATOM 0 HG22 VAL A 106 6.696 8.313 -10.244 1.00 0.00 H new ATOM 0 HG23 VAL A 106 4.924 8.410 -10.370 1.00 0.00 H new ATOM 1701 N SER A 107 6.517 12.787 -8.140 1.00 0.00 N ATOM 1702 CA SER A 107 6.497 14.231 -7.939 1.00 0.00 C ATOM 1703 C SER A 107 7.761 14.876 -8.498 1.00 0.00 C ATOM 1704 O SER A 107 8.804 14.233 -8.606 1.00 0.00 O ATOM 1705 CB SER A 107 6.360 14.558 -6.451 1.00 0.00 C ATOM 1706 OG SER A 107 5.000 14.715 -6.087 1.00 0.00 O ATOM 0 H SER A 107 7.174 12.287 -7.541 1.00 0.00 H new ATOM 0 HA SER A 107 5.637 14.635 -8.474 1.00 0.00 H new ATOM 0 HB2 SER A 107 6.809 13.762 -5.858 1.00 0.00 H new ATOM 0 HB3 SER A 107 6.908 15.472 -6.224 1.00 0.00 H new ATOM 0 HG SER A 107 4.939 14.922 -5.131 1.00 0.00 H new ATOM 1712 N GLY A 108 7.659 16.153 -8.855 1.00 0.00 N ATOM 1713 CA GLY A 108 8.800 16.865 -9.401 1.00 0.00 C ATOM 1714 C GLY A 108 8.425 18.225 -9.953 1.00 0.00 C ATOM 1715 O GLY A 108 7.319 18.721 -9.741 1.00 0.00 O ATOM 0 H GLY A 108 6.806 16.707 -8.776 1.00 0.00 H new ATOM 0 HA2 GLY A 108 9.554 16.987 -8.623 1.00 0.00 H new ATOM 0 HA3 GLY A 108 9.252 16.267 -10.192 1.00 0.00 H new ATOM 1719 N PRO A 109 9.363 18.853 -10.678 1.00 0.00 N ATOM 1720 CA PRO A 109 9.149 20.174 -11.276 1.00 0.00 C ATOM 1721 C PRO A 109 8.149 20.135 -12.425 1.00 0.00 C ATOM 1722 O PRO A 109 7.719 21.175 -12.923 1.00 0.00 O ATOM 1723 CB PRO A 109 10.539 20.560 -11.789 1.00 0.00 C ATOM 1724 CG PRO A 109 11.233 19.262 -12.017 1.00 0.00 C ATOM 1725 CD PRO A 109 10.706 18.321 -10.968 1.00 0.00 C ATOM 0 HA PRO A 109 8.731 20.883 -10.561 1.00 0.00 H new ATOM 0 HB2 PRO A 109 10.474 21.141 -12.709 1.00 0.00 H new ATOM 0 HB3 PRO A 109 11.073 21.172 -11.062 1.00 0.00 H new ATOM 0 HG2 PRO A 109 11.031 18.882 -13.019 1.00 0.00 H new ATOM 0 HG3 PRO A 109 12.314 19.377 -11.931 1.00 0.00 H new ATOM 0 HD2 PRO A 109 10.662 17.295 -11.334 1.00 0.00 H new ATOM 0 HD3 PRO A 109 11.337 18.316 -10.079 1.00 0.00 H new ATOM 1733 N SER A 110 7.781 18.927 -12.842 1.00 0.00 N ATOM 1734 CA SER A 110 6.832 18.753 -13.935 1.00 0.00 C ATOM 1735 C SER A 110 7.529 18.890 -15.286 1.00 0.00 C ATOM 1736 O SER A 110 7.991 19.970 -15.651 1.00 0.00 O ATOM 1737 CB SER A 110 5.700 19.776 -13.826 1.00 0.00 C ATOM 1738 OG SER A 110 5.516 20.190 -12.483 1.00 0.00 O ATOM 0 H SER A 110 8.126 18.055 -12.439 1.00 0.00 H new ATOM 0 HA SER A 110 6.412 17.750 -13.862 1.00 0.00 H new ATOM 0 HB2 SER A 110 5.926 20.641 -14.449 1.00 0.00 H new ATOM 0 HB3 SER A 110 4.775 19.342 -14.206 1.00 0.00 H new ATOM 0 HG SER A 110 5.970 21.047 -12.340 1.00 0.00 H new ATOM 1744 N SER A 111 7.599 17.786 -16.023 1.00 0.00 N ATOM 1745 CA SER A 111 8.242 17.781 -17.332 1.00 0.00 C ATOM 1746 C SER A 111 7.216 17.978 -18.443 1.00 0.00 C ATOM 1747 O SER A 111 6.052 17.605 -18.300 1.00 0.00 O ATOM 1748 CB SER A 111 8.999 16.469 -17.547 1.00 0.00 C ATOM 1749 OG SER A 111 9.966 16.599 -18.574 1.00 0.00 O ATOM 0 H SER A 111 7.219 16.884 -15.736 1.00 0.00 H new ATOM 0 HA SER A 111 8.949 18.610 -17.365 1.00 0.00 H new ATOM 0 HB2 SER A 111 9.488 16.172 -16.619 1.00 0.00 H new ATOM 0 HB3 SER A 111 8.295 15.678 -17.804 1.00 0.00 H new ATOM 0 HG SER A 111 10.437 15.747 -18.690 1.00 0.00 H new ATOM 1755 N GLY A 112 7.657 18.566 -19.551 1.00 0.00 N ATOM 1756 CA GLY A 112 6.764 18.803 -20.670 1.00 0.00 C ATOM 1757 C GLY A 112 6.763 20.253 -21.114 1.00 0.00 C ATOM 1758 O GLY A 112 7.816 20.885 -21.192 1.00 0.00 O ATOM 0 H GLY A 112 8.616 18.882 -19.693 1.00 0.00 H new ATOM 0 HA2 GLY A 112 7.059 18.170 -21.507 1.00 0.00 H new ATOM 0 HA3 GLY A 112 5.752 18.511 -20.391 1.00 0.00 H new TER 1762 GLY A 112