USER MOD reduce.3.24.130724 H: found=0, std=0, add=894, rem=0, adj=28 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 90:sc= -0.703 USER MOD Set 1.2: A 81 HIS : no HD1:sc= -0.678 K(o=-1.4,f=-2) USER MOD Set 2.1: A 29 HIS : no HD1:sc= 0.0545 K(o=1.1,f=-4.8!) USER MOD Set 2.2: A 31 SER OG : rot -67:sc= 0.199 USER MOD Set 2.3: A 64 GLN : amide:sc= 0.844 K(o=1.1,f=-2.9) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 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= 0.396 X(o=0.4,f=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 GLN : amide:sc= 0.0031 X(o=0.0031,f=-0.36) USER MOD Single : A 32 ASN : amide:sc= -0.11 K(o=-0.11,f=-1) USER MOD Single : A 35 HIS : no HD1:sc= -0.283 X(o=-0.28,f=-0.0016) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 TYR OH : rot -158:sc= 1.15 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+ 162:sc= -0.395 (180deg=-1.4) USER MOD Single : A 55 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 MET CE :methyl 177:sc= -0.924 (180deg=-1.05) USER MOD Single : A 61 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 160:sc= -0.0279 (180deg=-0.247) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 69 MET CE :methyl 168:sc= -5.16! (180deg=-5.7!) USER MOD Single : A 71 THR OG1 : rot -170:sc= 0 USER MOD Single : A 76 MET CE :methyl -118:sc= -3.22 (180deg=-10.4!) USER MOD Single : A 78 MET CE :methyl -118:sc= -2.84 (180deg=-5.8!) USER MOD Single : A 82 CYS SG : rot -12:sc= 0.942 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 GLN : amide:sc= -0.396 K(o=-0.4,f=-3.1!) USER MOD Single : A 93 CYS SG : rot 180:sc= -0.0816 USER MOD Single : A 95 LYS NZ :NH3+ 138:sc= 0.428 (180deg=0) USER MOD Single : A 99 SER OG : rot 180:sc= -0.196 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+ -127:sc= 0.161 (180deg=-0.225) USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot 180:sc= -0.0091 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -29.515 2.875 19.012 1.00 0.00 N ATOM 2 CA GLY A 1 -28.749 1.723 19.452 1.00 0.00 C ATOM 3 C GLY A 1 -27.878 1.151 18.352 1.00 0.00 C ATOM 4 O GLY A 1 -26.659 1.060 18.499 1.00 0.00 O ATOM 0 H1 GLY A 1 -30.094 3.229 19.800 1.00 0.00 H new ATOM 0 H2 GLY A 1 -28.866 3.624 18.696 1.00 0.00 H new ATOM 0 H3 GLY A 1 -30.135 2.599 18.224 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -28.122 2.009 20.296 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -29.431 0.952 19.809 1.00 0.00 H new ATOM 8 N SER A 2 -28.504 0.763 17.245 1.00 0.00 N ATOM 9 CA SER A 2 -27.777 0.191 16.117 1.00 0.00 C ATOM 10 C SER A 2 -27.235 -1.192 16.465 1.00 0.00 C ATOM 11 O SER A 2 -27.166 -1.567 17.635 1.00 0.00 O ATOM 12 CB SER A 2 -26.628 1.112 15.703 1.00 0.00 C ATOM 13 OG SER A 2 -26.649 1.359 14.308 1.00 0.00 O ATOM 0 H SER A 2 -29.512 0.834 17.105 1.00 0.00 H new ATOM 0 HA SER A 2 -28.471 0.091 15.283 1.00 0.00 H new ATOM 0 HB2 SER A 2 -26.702 2.056 16.244 1.00 0.00 H new ATOM 0 HB3 SER A 2 -25.676 0.659 15.981 1.00 0.00 H new ATOM 0 HG SER A 2 -25.906 1.951 14.069 1.00 0.00 H new ATOM 19 N SER A 3 -26.852 -1.946 15.439 1.00 0.00 N ATOM 20 CA SER A 3 -26.320 -3.289 15.634 1.00 0.00 C ATOM 21 C SER A 3 -24.847 -3.353 15.240 1.00 0.00 C ATOM 22 O SER A 3 -24.270 -2.363 14.791 1.00 0.00 O ATOM 23 CB SER A 3 -27.123 -4.303 14.815 1.00 0.00 C ATOM 24 OG SER A 3 -27.121 -3.963 13.440 1.00 0.00 O ATOM 0 H SER A 3 -26.900 -1.649 14.464 1.00 0.00 H new ATOM 0 HA SER A 3 -26.406 -3.537 16.692 1.00 0.00 H new ATOM 0 HB2 SER A 3 -26.700 -5.299 14.947 1.00 0.00 H new ATOM 0 HB3 SER A 3 -28.149 -4.341 15.182 1.00 0.00 H new ATOM 0 HG SER A 3 -27.639 -4.627 12.938 1.00 0.00 H new ATOM 30 N GLY A 4 -24.246 -4.526 15.412 1.00 0.00 N ATOM 31 CA GLY A 4 -22.845 -4.698 15.071 1.00 0.00 C ATOM 32 C GLY A 4 -22.566 -4.409 13.610 1.00 0.00 C ATOM 33 O GLY A 4 -23.392 -3.813 12.918 1.00 0.00 O ATOM 0 H GLY A 4 -24.703 -5.360 15.781 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -22.239 -4.037 15.691 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -22.541 -5.719 15.301 1.00 0.00 H new ATOM 37 N SER A 5 -21.396 -4.830 13.137 1.00 0.00 N ATOM 38 CA SER A 5 -21.007 -4.607 11.750 1.00 0.00 C ATOM 39 C SER A 5 -21.326 -3.179 11.318 1.00 0.00 C ATOM 40 O SER A 5 -22.442 -2.882 10.893 1.00 0.00 O ATOM 41 CB SER A 5 -21.721 -5.601 10.832 1.00 0.00 C ATOM 42 OG SER A 5 -21.159 -6.897 10.949 1.00 0.00 O ATOM 0 H SER A 5 -20.702 -5.327 13.695 1.00 0.00 H new ATOM 0 HA SER A 5 -19.931 -4.759 11.672 1.00 0.00 H new ATOM 0 HB2 SER A 5 -22.781 -5.637 11.084 1.00 0.00 H new ATOM 0 HB3 SER A 5 -21.650 -5.262 9.798 1.00 0.00 H new ATOM 0 HG SER A 5 -21.634 -7.514 10.354 1.00 0.00 H new ATOM 48 N SER A 6 -20.336 -2.299 11.432 1.00 0.00 N ATOM 49 CA SER A 6 -20.511 -0.901 11.057 1.00 0.00 C ATOM 50 C SER A 6 -19.187 -0.147 11.135 1.00 0.00 C ATOM 51 O SER A 6 -18.211 -0.642 11.699 1.00 0.00 O ATOM 52 CB SER A 6 -21.546 -0.233 11.965 1.00 0.00 C ATOM 53 OG SER A 6 -21.149 -0.299 13.324 1.00 0.00 O ATOM 0 H SER A 6 -19.406 -2.529 11.781 1.00 0.00 H new ATOM 0 HA SER A 6 -20.867 -0.869 10.027 1.00 0.00 H new ATOM 0 HB2 SER A 6 -21.675 0.809 11.670 1.00 0.00 H new ATOM 0 HB3 SER A 6 -22.513 -0.721 11.841 1.00 0.00 H new ATOM 0 HG SER A 6 -21.826 0.136 13.884 1.00 0.00 H new ATOM 59 N GLY A 7 -19.162 1.054 10.566 1.00 0.00 N ATOM 60 CA GLY A 7 -17.953 1.857 10.582 1.00 0.00 C ATOM 61 C GLY A 7 -17.667 2.447 11.948 1.00 0.00 C ATOM 62 O GLY A 7 -18.489 2.350 12.860 1.00 0.00 O ATOM 0 H GLY A 7 -19.957 1.485 10.094 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -17.108 1.242 10.271 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -18.046 2.663 9.854 1.00 0.00 H new ATOM 66 N LYS A 8 -16.497 3.060 12.094 1.00 0.00 N ATOM 67 CA LYS A 8 -16.103 3.668 13.358 1.00 0.00 C ATOM 68 C LYS A 8 -15.292 4.938 13.122 1.00 0.00 C ATOM 69 O LYS A 8 -14.629 5.442 14.030 1.00 0.00 O ATOM 70 CB LYS A 8 -15.288 2.678 14.193 1.00 0.00 C ATOM 71 CG LYS A 8 -16.137 1.635 14.901 1.00 0.00 C ATOM 72 CD LYS A 8 -15.286 0.512 15.468 1.00 0.00 C ATOM 73 CE LYS A 8 -16.140 -0.555 16.132 1.00 0.00 C ATOM 74 NZ LYS A 8 -16.089 -0.461 17.618 1.00 0.00 N ATOM 0 H LYS A 8 -15.804 3.149 11.350 1.00 0.00 H new ATOM 0 HA LYS A 8 -17.010 3.933 13.902 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -14.572 2.172 13.545 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -14.712 3.230 14.935 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -16.699 2.108 15.706 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -16.866 1.223 14.203 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -14.697 0.062 14.669 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -14.582 0.919 16.193 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -17.172 -0.454 15.797 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -15.798 -1.541 15.818 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -16.684 -1.206 18.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -15.108 -0.582 17.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -16.440 0.471 17.919 1.00 0.00 H new ATOM 88 N LYS A 9 -15.348 5.452 11.899 1.00 0.00 N ATOM 89 CA LYS A 9 -14.620 6.664 11.542 1.00 0.00 C ATOM 90 C LYS A 9 -15.300 7.387 10.384 1.00 0.00 C ATOM 91 O LYS A 9 -15.814 6.768 9.452 1.00 0.00 O ATOM 92 CB LYS A 9 -13.176 6.326 11.170 1.00 0.00 C ATOM 93 CG LYS A 9 -13.059 5.325 10.033 1.00 0.00 C ATOM 94 CD LYS A 9 -11.686 4.675 10.002 1.00 0.00 C ATOM 95 CE LYS A 9 -11.409 4.025 8.655 1.00 0.00 C ATOM 96 NZ LYS A 9 -10.097 3.318 8.639 1.00 0.00 N ATOM 0 H LYS A 9 -15.891 5.047 11.136 1.00 0.00 H new ATOM 0 HA LYS A 9 -14.619 7.325 12.409 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -12.658 7.243 10.890 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -12.667 5.927 12.048 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -13.824 4.556 10.143 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -13.246 5.827 9.084 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -10.922 5.425 10.210 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -11.619 3.925 10.790 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -12.205 3.318 8.422 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -11.421 4.786 7.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -9.945 2.889 7.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -9.334 3.997 8.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -10.095 2.574 9.366 1.00 0.00 H new ATOM 110 N PRO A 10 -15.302 8.727 10.440 1.00 0.00 N ATOM 111 CA PRO A 10 -15.914 9.562 9.402 1.00 0.00 C ATOM 112 C PRO A 10 -15.135 9.520 8.091 1.00 0.00 C ATOM 113 O PRO A 10 -15.690 9.770 7.022 1.00 0.00 O ATOM 114 CB PRO A 10 -15.871 10.967 10.006 1.00 0.00 C ATOM 115 CG PRO A 10 -14.737 10.930 10.972 1.00 0.00 C ATOM 116 CD PRO A 10 -14.708 9.530 11.521 1.00 0.00 C ATOM 0 HA PRO A 10 -16.918 9.225 9.146 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -15.712 11.723 9.238 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -16.808 11.212 10.505 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -13.796 11.176 10.479 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -14.879 11.659 11.769 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -13.692 9.209 11.748 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -15.282 9.448 12.444 1.00 0.00 H new ATOM 124 N GLU A 11 -13.847 9.204 8.184 1.00 0.00 N ATOM 125 CA GLU A 11 -12.994 9.131 7.004 1.00 0.00 C ATOM 126 C GLU A 11 -13.244 7.840 6.230 1.00 0.00 C ATOM 127 O GLU A 11 -13.006 6.743 6.736 1.00 0.00 O ATOM 128 CB GLU A 11 -11.520 9.219 7.407 1.00 0.00 C ATOM 129 CG GLU A 11 -10.603 9.647 6.274 1.00 0.00 C ATOM 130 CD GLU A 11 -9.738 8.510 5.763 1.00 0.00 C ATOM 131 OE1 GLU A 11 -10.213 7.747 4.897 1.00 0.00 O ATOM 132 OE2 GLU A 11 -8.587 8.386 6.229 1.00 0.00 O ATOM 0 H GLU A 11 -13.372 8.995 9.062 1.00 0.00 H new ATOM 0 HA GLU A 11 -13.238 9.974 6.358 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -11.419 9.925 8.231 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -11.195 8.247 7.778 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -11.204 10.039 5.453 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -9.963 10.460 6.617 1.00 0.00 H new ATOM 139 N GLY A 12 -13.726 7.979 4.999 1.00 0.00 N ATOM 140 CA GLY A 12 -14.001 6.815 4.174 1.00 0.00 C ATOM 141 C GLY A 12 -15.281 6.962 3.374 1.00 0.00 C ATOM 142 O GLY A 12 -15.345 7.752 2.431 1.00 0.00 O ATOM 0 H GLY A 12 -13.931 8.875 4.558 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -13.167 6.651 3.492 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -14.072 5.932 4.809 1.00 0.00 H new ATOM 146 N LYS A 13 -16.301 6.199 3.748 1.00 0.00 N ATOM 147 CA LYS A 13 -17.586 6.246 3.059 1.00 0.00 C ATOM 148 C LYS A 13 -17.456 5.722 1.632 1.00 0.00 C ATOM 149 O LYS A 13 -17.506 6.478 0.661 1.00 0.00 O ATOM 150 CB LYS A 13 -18.125 7.677 3.041 1.00 0.00 C ATOM 151 CG LYS A 13 -19.559 7.781 2.549 1.00 0.00 C ATOM 152 CD LYS A 13 -20.251 9.016 3.102 1.00 0.00 C ATOM 153 CE LYS A 13 -21.147 9.667 2.060 1.00 0.00 C ATOM 154 NZ LYS A 13 -20.712 11.055 1.743 1.00 0.00 N ATOM 0 H LYS A 13 -16.264 5.540 4.525 1.00 0.00 H new ATOM 0 HA LYS A 13 -18.285 5.608 3.600 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -18.064 8.092 4.047 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -17.486 8.289 2.404 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -19.569 7.814 1.460 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -20.112 6.890 2.846 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -20.845 8.742 3.974 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -19.503 9.733 3.439 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -21.140 9.068 1.150 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -22.174 9.683 2.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -21.348 11.464 1.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -20.743 11.634 2.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -19.741 11.038 1.372 1.00 0.00 H new ATOM 168 N PRO A 14 -17.290 4.398 1.500 1.00 0.00 N ATOM 169 CA PRO A 14 -17.152 3.744 0.195 1.00 0.00 C ATOM 170 C PRO A 14 -18.454 3.758 -0.601 1.00 0.00 C ATOM 171 O PRO A 14 -18.504 3.283 -1.735 1.00 0.00 O ATOM 172 CB PRO A 14 -16.763 2.309 0.557 1.00 0.00 C ATOM 173 CG PRO A 14 -17.310 2.102 1.927 1.00 0.00 C ATOM 174 CD PRO A 14 -17.223 3.437 2.613 1.00 0.00 C ATOM 0 HA PRO A 14 -16.425 4.250 -0.440 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -17.185 1.594 -0.150 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -15.681 2.175 0.538 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -18.341 1.750 1.887 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -16.737 1.348 2.466 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -18.042 3.581 3.318 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -16.296 3.539 3.177 1.00 0.00 H new ATOM 182 N ASP A 15 -19.503 4.307 0.001 1.00 0.00 N ATOM 183 CA ASP A 15 -20.805 4.384 -0.652 1.00 0.00 C ATOM 184 C ASP A 15 -20.660 4.845 -2.099 1.00 0.00 C ATOM 185 O ASP A 15 -19.830 5.699 -2.408 1.00 0.00 O ATOM 186 CB ASP A 15 -21.726 5.340 0.111 1.00 0.00 C ATOM 187 CG ASP A 15 -23.168 4.875 0.112 1.00 0.00 C ATOM 188 OD1 ASP A 15 -23.646 4.415 -0.947 1.00 0.00 O ATOM 189 OD2 ASP A 15 -23.820 4.967 1.173 1.00 0.00 O ATOM 0 H ASP A 15 -19.478 4.705 0.940 1.00 0.00 H new ATOM 0 HA ASP A 15 -21.246 3.387 -0.649 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -21.377 5.434 1.139 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -21.667 6.332 -0.337 1.00 0.00 H new ATOM 194 N GLN A 16 -21.473 4.272 -2.981 1.00 0.00 N ATOM 195 CA GLN A 16 -21.433 4.622 -4.396 1.00 0.00 C ATOM 196 C GLN A 16 -22.830 4.940 -4.918 1.00 0.00 C ATOM 197 O GLN A 16 -23.774 4.182 -4.697 1.00 0.00 O ATOM 198 CB GLN A 16 -20.820 3.480 -5.208 1.00 0.00 C ATOM 199 CG GLN A 16 -19.311 3.587 -5.366 1.00 0.00 C ATOM 200 CD GLN A 16 -18.626 2.235 -5.350 1.00 0.00 C ATOM 201 OE1 GLN A 16 -18.777 1.439 -6.277 1.00 0.00 O ATOM 202 NE2 GLN A 16 -17.867 1.968 -4.294 1.00 0.00 N ATOM 0 H GLN A 16 -22.167 3.564 -2.741 1.00 0.00 H new ATOM 0 HA GLN A 16 -20.813 5.511 -4.507 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -21.060 2.533 -4.726 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -21.280 3.460 -6.196 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -19.083 4.095 -6.303 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -18.908 4.204 -4.563 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -17.770 2.657 -3.548 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -17.381 1.074 -4.228 1.00 0.00 H new ATOM 211 N LYS A 17 -22.955 6.066 -5.610 1.00 0.00 N ATOM 212 CA LYS A 17 -24.237 6.486 -6.165 1.00 0.00 C ATOM 213 C LYS A 17 -24.079 6.950 -7.610 1.00 0.00 C ATOM 214 O LYS A 17 -24.696 7.929 -8.029 1.00 0.00 O ATOM 215 CB LYS A 17 -24.837 7.612 -5.320 1.00 0.00 C ATOM 216 CG LYS A 17 -26.351 7.699 -5.411 1.00 0.00 C ATOM 217 CD LYS A 17 -26.969 8.082 -4.077 1.00 0.00 C ATOM 218 CE LYS A 17 -28.308 7.392 -3.863 1.00 0.00 C ATOM 219 NZ LYS A 17 -28.465 6.909 -2.464 1.00 0.00 N ATOM 0 H LYS A 17 -22.184 6.706 -5.801 1.00 0.00 H new ATOM 0 HA LYS A 17 -24.910 5.629 -6.149 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -24.552 7.465 -4.278 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -24.407 8.562 -5.637 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -26.629 8.434 -6.166 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -26.752 6.739 -5.737 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -26.288 7.815 -3.269 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -27.105 9.163 -4.035 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -29.116 8.084 -4.101 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -28.397 6.550 -4.550 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -29.390 6.445 -2.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -27.709 6.229 -2.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -28.406 7.715 -1.810 1.00 0.00 H new ATOM 233 N PHE A 18 -23.251 6.238 -8.367 1.00 0.00 N ATOM 234 CA PHE A 18 -23.013 6.576 -9.766 1.00 0.00 C ATOM 235 C PHE A 18 -22.464 7.993 -9.896 1.00 0.00 C ATOM 236 O PHE A 18 -23.222 8.962 -9.952 1.00 0.00 O ATOM 237 CB PHE A 18 -24.306 6.442 -10.572 1.00 0.00 C ATOM 238 CG PHE A 18 -24.355 5.205 -11.424 1.00 0.00 C ATOM 239 CD1 PHE A 18 -23.592 5.112 -12.577 1.00 0.00 C ATOM 240 CD2 PHE A 18 -25.165 4.138 -11.073 1.00 0.00 C ATOM 241 CE1 PHE A 18 -23.636 3.975 -13.363 1.00 0.00 C ATOM 242 CE2 PHE A 18 -25.213 2.999 -11.855 1.00 0.00 C ATOM 243 CZ PHE A 18 -24.447 2.917 -13.000 1.00 0.00 C ATOM 0 H PHE A 18 -22.734 5.424 -8.036 1.00 0.00 H new ATOM 0 HA PHE A 18 -22.273 5.880 -10.162 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -25.153 6.435 -9.886 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -24.419 7.318 -11.210 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -22.956 5.936 -12.865 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -25.766 4.196 -10.178 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -23.037 3.914 -14.260 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -25.849 2.174 -11.570 1.00 0.00 H new ATOM 0 HZ PHE A 18 -24.481 2.027 -13.611 1.00 0.00 H new ATOM 253 N ASP A 19 -21.141 8.107 -9.944 1.00 0.00 N ATOM 254 CA ASP A 19 -20.488 9.405 -10.070 1.00 0.00 C ATOM 255 C ASP A 19 -19.780 9.531 -11.415 1.00 0.00 C ATOM 256 O ASP A 19 -20.035 10.463 -12.176 1.00 0.00 O ATOM 257 CB ASP A 19 -19.488 9.609 -8.932 1.00 0.00 C ATOM 258 CG ASP A 19 -20.151 9.592 -7.568 1.00 0.00 C ATOM 259 OD1 ASP A 19 -21.261 9.032 -7.456 1.00 0.00 O ATOM 260 OD2 ASP A 19 -19.559 10.140 -6.614 1.00 0.00 O ATOM 0 H ASP A 19 -20.499 7.315 -9.898 1.00 0.00 H new ATOM 0 HA ASP A 19 -21.256 10.177 -10.012 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -18.730 8.827 -8.974 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -18.973 10.560 -9.071 1.00 0.00 H new ATOM 265 N GLN A 20 -18.890 8.585 -11.699 1.00 0.00 N ATOM 266 CA GLN A 20 -18.144 8.591 -12.952 1.00 0.00 C ATOM 267 C GLN A 20 -17.630 9.991 -13.272 1.00 0.00 C ATOM 268 O GLN A 20 -18.208 10.704 -14.092 1.00 0.00 O ATOM 269 CB GLN A 20 -19.023 8.084 -14.097 1.00 0.00 C ATOM 270 CG GLN A 20 -18.335 8.114 -15.452 1.00 0.00 C ATOM 271 CD GLN A 20 -18.880 7.069 -16.406 1.00 0.00 C ATOM 272 OE1 GLN A 20 -18.338 5.969 -16.517 1.00 0.00 O ATOM 273 NE2 GLN A 20 -19.960 7.408 -17.102 1.00 0.00 N ATOM 0 H GLN A 20 -18.668 7.806 -11.079 1.00 0.00 H new ATOM 0 HA GLN A 20 -17.288 7.926 -12.839 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -19.335 7.062 -13.880 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -19.928 8.690 -14.145 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -18.455 9.103 -15.895 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -17.265 7.954 -15.316 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -20.377 8.331 -16.979 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -20.372 6.746 -17.759 1.00 0.00 H new ATOM 282 N LYS A 21 -16.538 10.378 -12.621 1.00 0.00 N ATOM 283 CA LYS A 21 -15.944 11.691 -12.836 1.00 0.00 C ATOM 284 C LYS A 21 -14.903 11.643 -13.951 1.00 0.00 C ATOM 285 O LYS A 21 -14.170 10.663 -14.084 1.00 0.00 O ATOM 286 CB LYS A 21 -15.299 12.200 -11.544 1.00 0.00 C ATOM 287 CG LYS A 21 -15.237 13.715 -11.451 1.00 0.00 C ATOM 288 CD LYS A 21 -16.555 14.298 -10.969 1.00 0.00 C ATOM 289 CE LYS A 21 -16.622 14.341 -9.450 1.00 0.00 C ATOM 290 NZ LYS A 21 -18.027 14.318 -8.956 1.00 0.00 N ATOM 0 H LYS A 21 -16.046 9.800 -11.940 1.00 0.00 H new ATOM 0 HA LYS A 21 -16.738 12.376 -13.134 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -15.859 11.815 -10.692 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -14.289 11.798 -11.469 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -14.438 14.006 -10.769 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -14.990 14.131 -12.428 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -16.677 15.305 -11.368 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -17.381 13.700 -11.354 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -16.078 13.491 -9.038 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -16.125 15.242 -9.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -18.030 14.349 -7.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -18.539 15.143 -9.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -18.494 13.446 -9.278 1.00 0.00 H new ATOM 304 N GLN A 22 -14.845 12.705 -14.746 1.00 0.00 N ATOM 305 CA GLN A 22 -13.893 12.782 -15.849 1.00 0.00 C ATOM 306 C GLN A 22 -12.580 12.100 -15.482 1.00 0.00 C ATOM 307 O GLN A 22 -12.174 11.130 -16.122 1.00 0.00 O ATOM 308 CB GLN A 22 -13.636 14.241 -16.227 1.00 0.00 C ATOM 309 CG GLN A 22 -14.847 14.939 -16.821 1.00 0.00 C ATOM 310 CD GLN A 22 -15.482 15.927 -15.862 1.00 0.00 C ATOM 311 OE1 GLN A 22 -16.437 15.600 -15.158 1.00 0.00 O ATOM 312 NE2 GLN A 22 -14.951 17.144 -15.828 1.00 0.00 N ATOM 0 H GLN A 22 -15.445 13.524 -14.648 1.00 0.00 H new ATOM 0 HA GLN A 22 -14.324 12.263 -16.705 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -13.312 14.786 -15.340 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -12.816 14.283 -16.944 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -14.550 15.461 -17.731 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -15.587 14.192 -17.109 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -14.159 17.372 -16.429 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -15.335 17.851 -15.201 1.00 0.00 H new ATOM 321 N GLU A 23 -11.920 12.613 -14.449 1.00 0.00 N ATOM 322 CA GLU A 23 -10.651 12.053 -13.998 1.00 0.00 C ATOM 323 C GLU A 23 -10.741 11.603 -12.543 1.00 0.00 C ATOM 324 O GLU A 23 -11.216 12.344 -11.680 1.00 0.00 O ATOM 325 CB GLU A 23 -9.529 13.081 -14.158 1.00 0.00 C ATOM 326 CG GLU A 23 -8.172 12.461 -14.446 1.00 0.00 C ATOM 327 CD GLU A 23 -7.884 12.352 -15.931 1.00 0.00 C ATOM 328 OE1 GLU A 23 -8.578 11.571 -16.614 1.00 0.00 O ATOM 329 OE2 GLU A 23 -6.964 13.048 -16.409 1.00 0.00 O ATOM 0 H GLU A 23 -12.243 13.415 -13.908 1.00 0.00 H new ATOM 0 HA GLU A 23 -10.427 11.183 -14.615 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -9.786 13.764 -14.968 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -9.461 13.677 -13.248 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -7.395 13.060 -13.972 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -8.127 11.469 -13.997 1.00 0.00 H new ATOM 336 N LEU A 24 -10.282 10.386 -12.277 1.00 0.00 N ATOM 337 CA LEU A 24 -10.310 9.835 -10.926 1.00 0.00 C ATOM 338 C LEU A 24 -8.898 9.553 -10.423 1.00 0.00 C ATOM 339 O LEU A 24 -7.936 9.593 -11.189 1.00 0.00 O ATOM 340 CB LEU A 24 -11.141 8.551 -10.894 1.00 0.00 C ATOM 341 CG LEU A 24 -12.532 8.637 -11.523 1.00 0.00 C ATOM 342 CD1 LEU A 24 -12.858 7.356 -12.276 1.00 0.00 C ATOM 343 CD2 LEU A 24 -13.583 8.912 -10.457 1.00 0.00 C ATOM 0 H LEU A 24 -9.886 9.761 -12.979 1.00 0.00 H new ATOM 0 HA LEU A 24 -10.769 10.574 -10.269 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -10.581 7.767 -11.404 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -11.252 8.240 -9.855 1.00 0.00 H new ATOM 0 HG LEU A 24 -12.538 9.464 -12.233 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -13.852 7.436 -12.717 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -12.122 7.201 -13.065 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -12.834 6.512 -11.586 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -14.567 8.970 -10.923 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -13.576 8.106 -9.723 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -13.360 9.857 -9.961 1.00 0.00 H new ATOM 355 N GLY A 25 -8.781 9.265 -9.131 1.00 0.00 N ATOM 356 CA GLY A 25 -7.484 8.978 -8.549 1.00 0.00 C ATOM 357 C GLY A 25 -7.430 7.612 -7.894 1.00 0.00 C ATOM 358 O GLY A 25 -8.206 7.323 -6.982 1.00 0.00 O ATOM 0 H GLY A 25 -9.562 9.225 -8.476 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -6.721 9.036 -9.325 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -7.245 9.742 -7.809 1.00 0.00 H new ATOM 362 N ARG A 26 -6.516 6.768 -8.362 1.00 0.00 N ATOM 363 CA ARG A 26 -6.368 5.424 -7.819 1.00 0.00 C ATOM 364 C ARG A 26 -4.962 5.214 -7.264 1.00 0.00 C ATOM 365 O ARG A 26 -4.008 5.023 -8.018 1.00 0.00 O ATOM 366 CB ARG A 26 -6.664 4.379 -8.897 1.00 0.00 C ATOM 367 CG ARG A 26 -8.044 4.520 -9.518 1.00 0.00 C ATOM 368 CD ARG A 26 -7.967 4.598 -11.034 1.00 0.00 C ATOM 369 NE ARG A 26 -9.269 4.880 -11.634 1.00 0.00 N ATOM 370 CZ ARG A 26 -9.470 4.966 -12.944 1.00 0.00 C ATOM 371 NH1 ARG A 26 -8.461 4.791 -13.787 1.00 0.00 N ATOM 372 NH2 ARG A 26 -10.684 5.226 -13.415 1.00 0.00 N ATOM 0 H ARG A 26 -5.867 6.992 -9.116 1.00 0.00 H new ATOM 0 HA ARG A 26 -7.083 5.308 -7.005 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -5.912 4.456 -9.682 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -6.570 3.384 -8.462 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -8.663 3.672 -9.227 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -8.529 5.416 -9.131 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -7.259 5.375 -11.322 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -7.583 3.656 -11.427 1.00 0.00 H new ATOM 0 HE ARG A 26 -10.067 5.018 -11.013 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -7.527 4.590 -13.430 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -8.619 4.858 -14.792 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -11.463 5.360 -12.771 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -10.837 5.292 -14.421 1.00 0.00 H new ATOM 386 N VAL A 27 -4.841 5.251 -5.941 1.00 0.00 N ATOM 387 CA VAL A 27 -3.553 5.064 -5.284 1.00 0.00 C ATOM 388 C VAL A 27 -3.665 4.086 -4.120 1.00 0.00 C ATOM 389 O VAL A 27 -4.296 4.385 -3.105 1.00 0.00 O ATOM 390 CB VAL A 27 -2.987 6.400 -4.766 1.00 0.00 C ATOM 391 CG1 VAL A 27 -1.856 6.155 -3.780 1.00 0.00 C ATOM 392 CG2 VAL A 27 -2.517 7.265 -5.926 1.00 0.00 C ATOM 0 H VAL A 27 -5.620 5.409 -5.302 1.00 0.00 H new ATOM 0 HA VAL A 27 -2.873 4.656 -6.032 1.00 0.00 H new ATOM 0 HB VAL A 27 -3.782 6.933 -4.244 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -1.469 7.110 -3.425 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -2.229 5.578 -2.934 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -1.057 5.601 -4.273 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -2.120 8.205 -5.542 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -1.737 6.741 -6.478 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -3.356 7.470 -6.590 1.00 0.00 H new ATOM 402 N ILE A 28 -3.050 2.918 -4.274 1.00 0.00 N ATOM 403 CA ILE A 28 -3.081 1.897 -3.234 1.00 0.00 C ATOM 404 C ILE A 28 -2.072 2.206 -2.132 1.00 0.00 C ATOM 405 O ILE A 28 -0.867 2.034 -2.313 1.00 0.00 O ATOM 406 CB ILE A 28 -2.784 0.500 -3.809 1.00 0.00 C ATOM 407 CG1 ILE A 28 -3.895 0.075 -4.772 1.00 0.00 C ATOM 408 CG2 ILE A 28 -2.633 -0.514 -2.685 1.00 0.00 C ATOM 409 CD1 ILE A 28 -5.156 -0.384 -4.074 1.00 0.00 C ATOM 0 H ILE A 28 -2.525 2.655 -5.108 1.00 0.00 H new ATOM 0 HA ILE A 28 -4.087 1.902 -2.815 1.00 0.00 H new ATOM 0 HB ILE A 28 -1.846 0.542 -4.362 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -4.136 0.912 -5.428 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -3.526 -0.731 -5.406 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -2.423 -1.497 -3.107 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -1.811 -0.216 -2.034 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -3.556 -0.557 -2.107 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -5.900 -0.670 -4.818 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -4.929 -1.241 -3.439 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -5.549 0.427 -3.461 1.00 0.00 H new ATOM 421 N HIS A 29 -2.575 2.661 -0.989 1.00 0.00 N ATOM 422 CA HIS A 29 -1.719 2.990 0.145 1.00 0.00 C ATOM 423 C HIS A 29 -1.338 1.734 0.923 1.00 0.00 C ATOM 424 O HIS A 29 -2.200 1.047 1.474 1.00 0.00 O ATOM 425 CB HIS A 29 -2.422 3.984 1.071 1.00 0.00 C ATOM 426 CG HIS A 29 -1.512 4.602 2.087 1.00 0.00 C ATOM 427 ND1 HIS A 29 -1.973 5.262 3.207 1.00 0.00 N ATOM 428 CD2 HIS A 29 -0.161 4.658 2.149 1.00 0.00 C ATOM 429 CE1 HIS A 29 -0.945 5.698 3.913 1.00 0.00 C ATOM 430 NE2 HIS A 29 0.166 5.343 3.293 1.00 0.00 N ATOM 0 H HIS A 29 -3.570 2.810 -0.824 1.00 0.00 H new ATOM 0 HA HIS A 29 -0.808 3.446 -0.241 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -2.871 4.774 0.469 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -3.236 3.475 1.587 1.00 0.00 H new ATOM 0 HD2 HIS A 29 0.531 4.241 1.432 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -1.003 6.250 4.839 1.00 0.00 H new ATOM 0 HE2 HIS A 29 1.113 5.545 3.612 1.00 0.00 H new ATOM 438 N LEU A 30 -0.044 1.437 0.962 1.00 0.00 N ATOM 439 CA LEU A 30 0.450 0.263 1.671 1.00 0.00 C ATOM 440 C LEU A 30 1.295 0.669 2.875 1.00 0.00 C ATOM 441 O LEU A 30 2.441 1.095 2.727 1.00 0.00 O ATOM 442 CB LEU A 30 1.274 -0.617 0.730 1.00 0.00 C ATOM 443 CG LEU A 30 0.501 -1.298 -0.400 1.00 0.00 C ATOM 444 CD1 LEU A 30 1.410 -1.551 -1.593 1.00 0.00 C ATOM 445 CD2 LEU A 30 -0.118 -2.600 0.087 1.00 0.00 C ATOM 0 H LEU A 30 0.682 1.993 0.511 1.00 0.00 H new ATOM 0 HA LEU A 30 -0.410 -0.303 2.028 1.00 0.00 H new ATOM 0 HB2 LEU A 30 2.060 -0.005 0.288 1.00 0.00 H new ATOM 0 HB3 LEU A 30 1.766 -1.388 1.323 1.00 0.00 H new ATOM 0 HG LEU A 30 -0.302 -0.633 -0.717 1.00 0.00 H new ATOM 0 HD11 LEU A 30 0.842 -2.036 -2.387 1.00 0.00 H new ATOM 0 HD12 LEU A 30 1.805 -0.603 -1.957 1.00 0.00 H new ATOM 0 HD13 LEU A 30 2.235 -2.196 -1.291 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -0.664 -3.071 -0.730 1.00 0.00 H new ATOM 0 HD22 LEU A 30 0.669 -3.271 0.431 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -0.803 -2.392 0.909 1.00 0.00 H new ATOM 457 N SER A 31 0.722 0.533 4.067 1.00 0.00 N ATOM 458 CA SER A 31 1.422 0.887 5.296 1.00 0.00 C ATOM 459 C SER A 31 1.858 -0.364 6.053 1.00 0.00 C ATOM 460 O SER A 31 1.367 -1.462 5.793 1.00 0.00 O ATOM 461 CB SER A 31 0.526 1.751 6.187 1.00 0.00 C ATOM 462 OG SER A 31 0.328 3.034 5.620 1.00 0.00 O ATOM 0 H SER A 31 -0.225 0.180 4.207 1.00 0.00 H new ATOM 0 HA SER A 31 2.312 1.456 5.027 1.00 0.00 H new ATOM 0 HB2 SER A 31 -0.437 1.259 6.326 1.00 0.00 H new ATOM 0 HB3 SER A 31 0.978 1.852 7.174 1.00 0.00 H new ATOM 0 HG SER A 31 1.175 3.527 5.624 1.00 0.00 H new ATOM 468 N ASN A 32 2.783 -0.189 6.990 1.00 0.00 N ATOM 469 CA ASN A 32 3.287 -1.303 7.785 1.00 0.00 C ATOM 470 C ASN A 32 3.955 -2.347 6.896 1.00 0.00 C ATOM 471 O ASN A 32 3.614 -3.530 6.947 1.00 0.00 O ATOM 472 CB ASN A 32 2.148 -1.945 8.579 1.00 0.00 C ATOM 473 CG ASN A 32 2.617 -2.524 9.900 1.00 0.00 C ATOM 474 OD1 ASN A 32 3.463 -1.942 10.579 1.00 0.00 O ATOM 475 ND2 ASN A 32 2.069 -3.675 10.270 1.00 0.00 N ATOM 0 H ASN A 32 3.199 0.714 7.218 1.00 0.00 H new ATOM 0 HA ASN A 32 4.031 -0.915 8.480 1.00 0.00 H new ATOM 0 HB2 ASN A 32 1.375 -1.200 8.766 1.00 0.00 H new ATOM 0 HB3 ASN A 32 1.692 -2.734 7.981 1.00 0.00 H new ATOM 0 HD21 ASN A 32 2.346 -4.112 11.149 1.00 0.00 H new ATOM 0 HD22 ASN A 32 1.371 -4.122 9.675 1.00 0.00 H new ATOM 482 N LEU A 33 4.908 -1.902 6.084 1.00 0.00 N ATOM 483 CA LEU A 33 5.625 -2.799 5.184 1.00 0.00 C ATOM 484 C LEU A 33 6.912 -3.303 5.829 1.00 0.00 C ATOM 485 O LEU A 33 7.563 -2.602 6.605 1.00 0.00 O ATOM 486 CB LEU A 33 5.946 -2.084 3.870 1.00 0.00 C ATOM 487 CG LEU A 33 4.747 -1.724 2.992 1.00 0.00 C ATOM 488 CD1 LEU A 33 5.148 -0.714 1.929 1.00 0.00 C ATOM 489 CD2 LEU A 33 4.163 -2.974 2.350 1.00 0.00 C ATOM 0 H LEU A 33 5.202 -0.927 6.030 1.00 0.00 H new ATOM 0 HA LEU A 33 4.984 -3.656 4.978 1.00 0.00 H new ATOM 0 HB2 LEU A 33 6.490 -1.168 4.101 1.00 0.00 H new ATOM 0 HB3 LEU A 33 6.619 -2.716 3.290 1.00 0.00 H new ATOM 0 HG LEU A 33 3.981 -1.272 3.622 1.00 0.00 H new ATOM 0 HD11 LEU A 33 4.282 -0.470 1.314 1.00 0.00 H new ATOM 0 HD12 LEU A 33 5.519 0.192 2.409 1.00 0.00 H new ATOM 0 HD13 LEU A 33 5.931 -1.138 1.301 1.00 0.00 H new ATOM 0 HD21 LEU A 33 3.311 -2.700 1.729 1.00 0.00 H new ATOM 0 HD22 LEU A 33 4.922 -3.455 1.733 1.00 0.00 H new ATOM 0 HD23 LEU A 33 3.837 -3.664 3.128 1.00 0.00 H new ATOM 501 N PRO A 34 7.291 -4.547 5.502 1.00 0.00 N ATOM 502 CA PRO A 34 8.503 -5.172 6.036 1.00 0.00 C ATOM 503 C PRO A 34 9.775 -4.536 5.484 1.00 0.00 C ATOM 504 O PRO A 34 9.736 -3.448 4.907 1.00 0.00 O ATOM 505 CB PRO A 34 8.389 -6.626 5.571 1.00 0.00 C ATOM 506 CG PRO A 34 7.531 -6.567 4.354 1.00 0.00 C ATOM 507 CD PRO A 34 6.563 -5.440 4.584 1.00 0.00 C ATOM 0 HA PRO A 34 8.575 -5.061 7.118 1.00 0.00 H new ATOM 0 HB2 PRO A 34 9.368 -7.048 5.345 1.00 0.00 H new ATOM 0 HB3 PRO A 34 7.941 -7.254 6.341 1.00 0.00 H new ATOM 0 HG2 PRO A 34 8.131 -6.390 3.462 1.00 0.00 H new ATOM 0 HG3 PRO A 34 7.004 -7.509 4.202 1.00 0.00 H new ATOM 0 HD2 PRO A 34 6.305 -4.935 3.653 1.00 0.00 H new ATOM 0 HD3 PRO A 34 5.631 -5.794 5.023 1.00 0.00 H new ATOM 515 N HIS A 35 10.900 -5.219 5.666 1.00 0.00 N ATOM 516 CA HIS A 35 12.184 -4.719 5.185 1.00 0.00 C ATOM 517 C HIS A 35 13.227 -5.834 5.164 1.00 0.00 C ATOM 518 O HIS A 35 14.344 -5.661 5.649 1.00 0.00 O ATOM 519 CB HIS A 35 12.669 -3.568 6.065 1.00 0.00 C ATOM 520 CG HIS A 35 13.525 -2.577 5.337 1.00 0.00 C ATOM 521 ND1 HIS A 35 13.404 -1.213 5.502 1.00 0.00 N ATOM 522 CD2 HIS A 35 14.520 -2.759 4.438 1.00 0.00 C ATOM 523 CE1 HIS A 35 14.287 -0.599 4.735 1.00 0.00 C ATOM 524 NE2 HIS A 35 14.977 -1.515 4.079 1.00 0.00 N ATOM 0 H HIS A 35 10.949 -6.119 6.143 1.00 0.00 H new ATOM 0 HA HIS A 35 12.046 -4.354 4.167 1.00 0.00 H new ATOM 0 HB2 HIS A 35 11.805 -3.052 6.483 1.00 0.00 H new ATOM 0 HB3 HIS A 35 13.233 -3.976 6.904 1.00 0.00 H new ATOM 0 HD2 HIS A 35 14.886 -3.706 4.071 1.00 0.00 H new ATOM 0 HE1 HIS A 35 14.422 0.470 4.657 1.00 0.00 H new ATOM 0 HE2 HIS A 35 15.727 -1.328 3.414 1.00 0.00 H new ATOM 532 N SER A 36 12.853 -6.976 4.596 1.00 0.00 N ATOM 533 CA SER A 36 13.754 -8.120 4.516 1.00 0.00 C ATOM 534 C SER A 36 14.635 -8.031 3.273 1.00 0.00 C ATOM 535 O SER A 36 15.078 -9.047 2.739 1.00 0.00 O ATOM 536 CB SER A 36 12.956 -9.425 4.498 1.00 0.00 C ATOM 537 OG SER A 36 13.114 -10.138 5.712 1.00 0.00 O ATOM 0 H SER A 36 11.933 -7.134 4.185 1.00 0.00 H new ATOM 0 HA SER A 36 14.396 -8.108 5.397 1.00 0.00 H new ATOM 0 HB2 SER A 36 11.900 -9.207 4.336 1.00 0.00 H new ATOM 0 HB3 SER A 36 13.285 -10.044 3.664 1.00 0.00 H new ATOM 0 HG SER A 36 12.592 -10.967 5.675 1.00 0.00 H new ATOM 543 N GLY A 37 14.883 -6.807 2.817 1.00 0.00 N ATOM 544 CA GLY A 37 15.709 -6.607 1.641 1.00 0.00 C ATOM 545 C GLY A 37 15.068 -7.156 0.382 1.00 0.00 C ATOM 546 O GLY A 37 15.741 -7.762 -0.452 1.00 0.00 O ATOM 0 H GLY A 37 14.527 -5.951 3.241 1.00 0.00 H new ATOM 0 HA2 GLY A 37 15.901 -5.542 1.512 1.00 0.00 H new ATOM 0 HA3 GLY A 37 16.675 -7.089 1.793 1.00 0.00 H new ATOM 550 N TYR A 38 13.764 -6.945 0.244 1.00 0.00 N ATOM 551 CA TYR A 38 13.030 -7.427 -0.920 1.00 0.00 C ATOM 552 C TYR A 38 13.042 -6.391 -2.040 1.00 0.00 C ATOM 553 O TYR A 38 13.492 -5.261 -1.850 1.00 0.00 O ATOM 554 CB TYR A 38 11.588 -7.765 -0.538 1.00 0.00 C ATOM 555 CG TYR A 38 10.883 -6.652 0.204 1.00 0.00 C ATOM 556 CD1 TYR A 38 10.323 -5.579 -0.481 1.00 0.00 C ATOM 557 CD2 TYR A 38 10.774 -6.672 1.589 1.00 0.00 C ATOM 558 CE1 TYR A 38 9.679 -4.560 0.192 1.00 0.00 C ATOM 559 CE2 TYR A 38 10.129 -5.659 2.270 1.00 0.00 C ATOM 560 CZ TYR A 38 9.584 -4.604 1.567 1.00 0.00 C ATOM 561 OH TYR A 38 8.941 -3.591 2.241 1.00 0.00 O ATOM 0 H TYR A 38 13.193 -6.443 0.924 1.00 0.00 H new ATOM 0 HA TYR A 38 13.524 -8.330 -1.279 1.00 0.00 H new ATOM 0 HB2 TYR A 38 11.027 -8.000 -1.442 1.00 0.00 H new ATOM 0 HB3 TYR A 38 11.585 -8.662 0.081 1.00 0.00 H new ATOM 0 HD1 TYR A 38 10.393 -5.542 -1.558 1.00 0.00 H new ATOM 0 HD2 TYR A 38 11.202 -7.495 2.143 1.00 0.00 H new ATOM 0 HE1 TYR A 38 9.252 -3.733 -0.355 1.00 0.00 H new ATOM 0 HE2 TYR A 38 10.051 -5.692 3.347 1.00 0.00 H new ATOM 0 HH TYR A 38 9.245 -3.573 3.172 1.00 0.00 H new ATOM 571 N SER A 39 12.544 -6.785 -3.208 1.00 0.00 N ATOM 572 CA SER A 39 12.500 -5.892 -4.360 1.00 0.00 C ATOM 573 C SER A 39 11.095 -5.332 -4.559 1.00 0.00 C ATOM 574 O SER A 39 10.101 -6.009 -4.292 1.00 0.00 O ATOM 575 CB SER A 39 12.950 -6.631 -5.621 1.00 0.00 C ATOM 576 OG SER A 39 14.346 -6.489 -5.824 1.00 0.00 O ATOM 0 H SER A 39 12.166 -7.716 -3.381 1.00 0.00 H new ATOM 0 HA SER A 39 13.180 -5.061 -4.172 1.00 0.00 H new ATOM 0 HB2 SER A 39 12.697 -7.688 -5.537 1.00 0.00 H new ATOM 0 HB3 SER A 39 12.412 -6.242 -6.486 1.00 0.00 H new ATOM 0 HG SER A 39 14.609 -6.972 -6.635 1.00 0.00 H new ATOM 582 N ASP A 40 11.021 -4.092 -5.029 1.00 0.00 N ATOM 583 CA ASP A 40 9.738 -3.439 -5.265 1.00 0.00 C ATOM 584 C ASP A 40 8.708 -4.438 -5.783 1.00 0.00 C ATOM 585 O ASP A 40 7.594 -4.520 -5.266 1.00 0.00 O ATOM 586 CB ASP A 40 9.901 -2.292 -6.264 1.00 0.00 C ATOM 587 CG ASP A 40 10.471 -2.756 -7.590 1.00 0.00 C ATOM 588 OD1 ASP A 40 11.690 -3.020 -7.653 1.00 0.00 O ATOM 589 OD2 ASP A 40 9.697 -2.855 -8.565 1.00 0.00 O ATOM 0 H ASP A 40 11.834 -3.518 -5.254 1.00 0.00 H new ATOM 0 HA ASP A 40 9.383 -3.036 -4.316 1.00 0.00 H new ATOM 0 HB2 ASP A 40 8.933 -1.821 -6.433 1.00 0.00 H new ATOM 0 HB3 ASP A 40 10.555 -1.532 -5.837 1.00 0.00 H new ATOM 594 N SER A 41 9.087 -5.194 -6.809 1.00 0.00 N ATOM 595 CA SER A 41 8.194 -6.184 -7.400 1.00 0.00 C ATOM 596 C SER A 41 7.390 -6.903 -6.322 1.00 0.00 C ATOM 597 O SER A 41 6.161 -6.946 -6.374 1.00 0.00 O ATOM 598 CB SER A 41 8.996 -7.200 -8.218 1.00 0.00 C ATOM 599 OG SER A 41 8.637 -7.147 -9.588 1.00 0.00 O ATOM 0 H SER A 41 10.006 -5.140 -7.248 1.00 0.00 H new ATOM 0 HA SER A 41 7.499 -5.664 -8.059 1.00 0.00 H new ATOM 0 HB2 SER A 41 10.062 -6.999 -8.110 1.00 0.00 H new ATOM 0 HB3 SER A 41 8.820 -8.204 -7.831 1.00 0.00 H new ATOM 0 HG SER A 41 9.164 -7.804 -10.090 1.00 0.00 H new ATOM 605 N ALA A 42 8.093 -7.467 -5.345 1.00 0.00 N ATOM 606 CA ALA A 42 7.446 -8.183 -4.252 1.00 0.00 C ATOM 607 C ALA A 42 6.271 -7.387 -3.695 1.00 0.00 C ATOM 608 O ALA A 42 5.233 -7.951 -3.351 1.00 0.00 O ATOM 609 CB ALA A 42 8.450 -8.486 -3.151 1.00 0.00 C ATOM 0 H ALA A 42 9.111 -7.442 -5.288 1.00 0.00 H new ATOM 0 HA ALA A 42 7.061 -9.124 -4.645 1.00 0.00 H new ATOM 0 HB1 ALA A 42 7.952 -9.021 -2.342 1.00 0.00 H new ATOM 0 HB2 ALA A 42 9.255 -9.102 -3.552 1.00 0.00 H new ATOM 0 HB3 ALA A 42 8.863 -7.553 -2.769 1.00 0.00 H new ATOM 615 N VAL A 43 6.441 -6.071 -3.608 1.00 0.00 N ATOM 616 CA VAL A 43 5.394 -5.197 -3.091 1.00 0.00 C ATOM 617 C VAL A 43 4.271 -5.027 -4.108 1.00 0.00 C ATOM 618 O VAL A 43 3.129 -4.741 -3.744 1.00 0.00 O ATOM 619 CB VAL A 43 5.952 -3.809 -2.723 1.00 0.00 C ATOM 620 CG1 VAL A 43 4.824 -2.801 -2.579 1.00 0.00 C ATOM 621 CG2 VAL A 43 6.776 -3.888 -1.447 1.00 0.00 C ATOM 0 H VAL A 43 7.294 -5.587 -3.889 1.00 0.00 H new ATOM 0 HA VAL A 43 5.000 -5.671 -2.192 1.00 0.00 H new ATOM 0 HB VAL A 43 6.605 -3.473 -3.529 1.00 0.00 H new ATOM 0 HG11 VAL A 43 5.238 -1.827 -2.319 1.00 0.00 H new ATOM 0 HG12 VAL A 43 4.281 -2.725 -3.521 1.00 0.00 H new ATOM 0 HG13 VAL A 43 4.143 -3.127 -1.793 1.00 0.00 H new ATOM 0 HG21 VAL A 43 7.163 -2.899 -1.202 1.00 0.00 H new ATOM 0 HG22 VAL A 43 6.149 -4.245 -0.630 1.00 0.00 H new ATOM 0 HG23 VAL A 43 7.608 -4.577 -1.593 1.00 0.00 H new ATOM 631 N LEU A 44 4.600 -5.205 -5.381 1.00 0.00 N ATOM 632 CA LEU A 44 3.617 -5.072 -6.452 1.00 0.00 C ATOM 633 C LEU A 44 2.951 -6.411 -6.747 1.00 0.00 C ATOM 634 O LEU A 44 1.945 -6.475 -7.457 1.00 0.00 O ATOM 635 CB LEU A 44 4.284 -4.531 -7.718 1.00 0.00 C ATOM 636 CG LEU A 44 5.365 -3.470 -7.508 1.00 0.00 C ATOM 637 CD1 LEU A 44 6.124 -3.218 -8.800 1.00 0.00 C ATOM 638 CD2 LEU A 44 4.750 -2.178 -6.988 1.00 0.00 C ATOM 0 H LEU A 44 5.540 -5.442 -5.699 1.00 0.00 H new ATOM 0 HA LEU A 44 2.850 -4.370 -6.124 1.00 0.00 H new ATOM 0 HB2 LEU A 44 4.726 -5.369 -8.258 1.00 0.00 H new ATOM 0 HB3 LEU A 44 3.510 -4.110 -8.360 1.00 0.00 H new ATOM 0 HG LEU A 44 6.070 -3.840 -6.763 1.00 0.00 H new ATOM 0 HD11 LEU A 44 6.889 -2.460 -8.631 1.00 0.00 H new ATOM 0 HD12 LEU A 44 6.596 -4.143 -9.131 1.00 0.00 H new ATOM 0 HD13 LEU A 44 5.432 -2.870 -9.567 1.00 0.00 H new ATOM 0 HD21 LEU A 44 5.534 -1.434 -6.844 1.00 0.00 H new ATOM 0 HD22 LEU A 44 4.023 -1.805 -7.710 1.00 0.00 H new ATOM 0 HD23 LEU A 44 4.252 -2.369 -6.037 1.00 0.00 H new ATOM 650 N LYS A 45 3.514 -7.481 -6.197 1.00 0.00 N ATOM 651 CA LYS A 45 2.972 -8.820 -6.398 1.00 0.00 C ATOM 652 C LYS A 45 1.549 -8.918 -5.860 1.00 0.00 C ATOM 653 O LYS A 45 0.735 -9.694 -6.364 1.00 0.00 O ATOM 654 CB LYS A 45 3.860 -9.860 -5.710 1.00 0.00 C ATOM 655 CG LYS A 45 4.686 -10.690 -6.678 1.00 0.00 C ATOM 656 CD LYS A 45 5.398 -11.830 -5.968 1.00 0.00 C ATOM 657 CE LYS A 45 6.181 -12.693 -6.947 1.00 0.00 C ATOM 658 NZ LYS A 45 7.122 -13.610 -6.247 1.00 0.00 N ATOM 0 H LYS A 45 4.346 -7.447 -5.608 1.00 0.00 H new ATOM 0 HA LYS A 45 2.951 -9.019 -7.470 1.00 0.00 H new ATOM 0 HB2 LYS A 45 4.530 -9.352 -5.017 1.00 0.00 H new ATOM 0 HB3 LYS A 45 3.233 -10.526 -5.117 1.00 0.00 H new ATOM 0 HG2 LYS A 45 4.039 -11.093 -7.457 1.00 0.00 H new ATOM 0 HG3 LYS A 45 5.420 -10.052 -7.171 1.00 0.00 H new ATOM 0 HD2 LYS A 45 6.075 -11.425 -5.216 1.00 0.00 H new ATOM 0 HD3 LYS A 45 4.668 -12.445 -5.442 1.00 0.00 H new ATOM 0 HE2 LYS A 45 5.487 -13.277 -7.552 1.00 0.00 H new ATOM 0 HE3 LYS A 45 6.739 -12.053 -7.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 7.636 -14.181 -6.948 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 7.800 -13.052 -5.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 6.588 -14.239 -5.614 1.00 0.00 H new ATOM 672 N LEU A 46 1.252 -8.126 -4.835 1.00 0.00 N ATOM 673 CA LEU A 46 -0.076 -8.121 -4.231 1.00 0.00 C ATOM 674 C LEU A 46 -1.051 -7.297 -5.065 1.00 0.00 C ATOM 675 O LEU A 46 -2.243 -7.237 -4.764 1.00 0.00 O ATOM 676 CB LEU A 46 -0.007 -7.565 -2.808 1.00 0.00 C ATOM 677 CG LEU A 46 1.167 -6.632 -2.507 1.00 0.00 C ATOM 678 CD1 LEU A 46 0.831 -5.708 -1.346 1.00 0.00 C ATOM 679 CD2 LEU A 46 2.423 -7.436 -2.206 1.00 0.00 C ATOM 0 H LEU A 46 1.913 -7.479 -4.405 1.00 0.00 H new ATOM 0 HA LEU A 46 -0.437 -9.149 -4.196 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -0.933 -7.028 -2.604 1.00 0.00 H new ATOM 0 HB3 LEU A 46 0.034 -8.404 -2.113 1.00 0.00 H new ATOM 0 HG LEU A 46 1.355 -6.019 -3.389 1.00 0.00 H new ATOM 0 HD11 LEU A 46 1.678 -5.052 -1.146 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -0.042 -5.107 -1.600 1.00 0.00 H new ATOM 0 HD13 LEU A 46 0.616 -6.303 -0.458 1.00 0.00 H new ATOM 0 HD21 LEU A 46 3.248 -6.756 -1.994 1.00 0.00 H new ATOM 0 HD22 LEU A 46 2.248 -8.074 -1.340 1.00 0.00 H new ATOM 0 HD23 LEU A 46 2.674 -8.054 -3.068 1.00 0.00 H new ATOM 691 N ALA A 47 -0.537 -6.664 -6.114 1.00 0.00 N ATOM 692 CA ALA A 47 -1.364 -5.847 -6.993 1.00 0.00 C ATOM 693 C ALA A 47 -1.283 -6.338 -8.435 1.00 0.00 C ATOM 694 O ALA A 47 -2.089 -5.947 -9.279 1.00 0.00 O ATOM 695 CB ALA A 47 -0.943 -4.387 -6.908 1.00 0.00 C ATOM 0 H ALA A 47 0.448 -6.701 -6.376 1.00 0.00 H new ATOM 0 HA ALA A 47 -2.399 -5.936 -6.663 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -1.569 -3.789 -7.570 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -1.058 -4.034 -5.883 1.00 0.00 H new ATOM 0 HB3 ALA A 47 0.100 -4.291 -7.210 1.00 0.00 H new ATOM 701 N GLU A 48 -0.306 -7.195 -8.709 1.00 0.00 N ATOM 702 CA GLU A 48 -0.121 -7.739 -10.050 1.00 0.00 C ATOM 703 C GLU A 48 -1.409 -8.378 -10.561 1.00 0.00 C ATOM 704 O GLU A 48 -1.977 -7.965 -11.572 1.00 0.00 O ATOM 705 CB GLU A 48 1.010 -8.769 -10.056 1.00 0.00 C ATOM 706 CG GLU A 48 2.263 -8.294 -10.772 1.00 0.00 C ATOM 707 CD GLU A 48 2.207 -8.536 -12.268 1.00 0.00 C ATOM 708 OE1 GLU A 48 1.145 -8.276 -12.871 1.00 0.00 O ATOM 709 OE2 GLU A 48 3.223 -8.987 -12.836 1.00 0.00 O ATOM 0 H GLU A 48 0.370 -7.528 -8.021 1.00 0.00 H new ATOM 0 HA GLU A 48 0.144 -6.916 -10.714 1.00 0.00 H new ATOM 0 HB2 GLU A 48 1.264 -9.023 -9.027 1.00 0.00 H new ATOM 0 HB3 GLU A 48 0.655 -9.683 -10.531 1.00 0.00 H new ATOM 0 HG2 GLU A 48 2.402 -7.229 -10.585 1.00 0.00 H new ATOM 0 HG3 GLU A 48 3.131 -8.807 -10.357 1.00 0.00 H new ATOM 716 N PRO A 49 -1.880 -9.410 -9.846 1.00 0.00 N ATOM 717 CA PRO A 49 -3.106 -10.130 -10.207 1.00 0.00 C ATOM 718 C PRO A 49 -4.357 -9.284 -9.996 1.00 0.00 C ATOM 719 O PRO A 49 -5.476 -9.752 -10.206 1.00 0.00 O ATOM 720 CB PRO A 49 -3.105 -11.331 -9.259 1.00 0.00 C ATOM 721 CG PRO A 49 -2.301 -10.886 -8.086 1.00 0.00 C ATOM 722 CD PRO A 49 -1.253 -9.955 -8.630 1.00 0.00 C ATOM 0 HA PRO A 49 -3.123 -10.404 -11.262 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -4.118 -11.604 -8.964 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -2.664 -12.208 -9.732 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -2.929 -10.381 -7.352 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -1.843 -11.737 -7.582 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -1.006 -9.168 -7.918 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -0.326 -10.482 -8.857 1.00 0.00 H new ATOM 730 N TYR A 50 -4.160 -8.038 -9.578 1.00 0.00 N ATOM 731 CA TYR A 50 -5.274 -7.128 -9.337 1.00 0.00 C ATOM 732 C TYR A 50 -5.469 -6.180 -10.515 1.00 0.00 C ATOM 733 O TYR A 50 -6.595 -5.841 -10.875 1.00 0.00 O ATOM 734 CB TYR A 50 -5.036 -6.327 -8.056 1.00 0.00 C ATOM 735 CG TYR A 50 -5.263 -7.124 -6.791 1.00 0.00 C ATOM 736 CD1 TYR A 50 -4.248 -7.898 -6.242 1.00 0.00 C ATOM 737 CD2 TYR A 50 -6.493 -7.103 -6.145 1.00 0.00 C ATOM 738 CE1 TYR A 50 -4.451 -8.628 -5.087 1.00 0.00 C ATOM 739 CE2 TYR A 50 -6.705 -7.829 -4.989 1.00 0.00 C ATOM 740 CZ TYR A 50 -5.681 -8.590 -4.464 1.00 0.00 C ATOM 741 OH TYR A 50 -5.888 -9.315 -3.313 1.00 0.00 O ATOM 0 H TYR A 50 -3.240 -7.635 -9.399 1.00 0.00 H new ATOM 0 HA TYR A 50 -6.179 -7.724 -9.222 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -4.014 -5.949 -8.059 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -5.696 -5.460 -8.052 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -3.283 -7.929 -6.727 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -7.297 -6.509 -6.554 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -3.651 -9.225 -4.674 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -7.667 -7.801 -4.499 1.00 0.00 H new ATOM 0 HH TYR A 50 -5.659 -8.766 -2.535 1.00 0.00 H new ATOM 751 N GLY A 51 -4.360 -5.755 -11.114 1.00 0.00 N ATOM 752 CA GLY A 51 -4.429 -4.850 -12.246 1.00 0.00 C ATOM 753 C GLY A 51 -3.057 -4.443 -12.746 1.00 0.00 C ATOM 754 O GLY A 51 -2.045 -4.711 -12.097 1.00 0.00 O ATOM 0 H GLY A 51 -3.416 -6.021 -10.835 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -4.981 -5.327 -13.056 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -4.988 -3.959 -11.961 1.00 0.00 H new ATOM 758 N LYS A 52 -3.020 -3.793 -13.905 1.00 0.00 N ATOM 759 CA LYS A 52 -1.763 -3.348 -14.493 1.00 0.00 C ATOM 760 C LYS A 52 -1.139 -2.230 -13.664 1.00 0.00 C ATOM 761 O LYS A 52 -1.729 -1.161 -13.502 1.00 0.00 O ATOM 762 CB LYS A 52 -1.989 -2.866 -15.928 1.00 0.00 C ATOM 763 CG LYS A 52 -1.680 -3.918 -16.979 1.00 0.00 C ATOM 764 CD LYS A 52 -0.639 -3.426 -17.971 1.00 0.00 C ATOM 765 CE LYS A 52 -0.973 -3.861 -19.390 1.00 0.00 C ATOM 766 NZ LYS A 52 -0.267 -5.117 -19.765 1.00 0.00 N ATOM 0 H LYS A 52 -3.847 -3.563 -14.455 1.00 0.00 H new ATOM 0 HA LYS A 52 -1.077 -4.195 -14.504 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -3.026 -2.550 -16.037 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -1.367 -1.989 -16.110 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -1.321 -4.825 -16.493 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -2.594 -4.182 -17.511 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -0.578 -2.339 -17.927 1.00 0.00 H new ATOM 0 HD3 LYS A 52 0.342 -3.811 -17.692 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -2.049 -4.008 -19.481 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -0.700 -3.069 -20.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -0.521 -5.380 -20.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 0.761 -4.969 -19.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -0.547 -5.880 -19.116 1.00 0.00 H new ATOM 780 N ILE A 53 0.056 -2.485 -13.140 1.00 0.00 N ATOM 781 CA ILE A 53 0.760 -1.498 -12.330 1.00 0.00 C ATOM 782 C ILE A 53 1.260 -0.339 -13.186 1.00 0.00 C ATOM 783 O ILE A 53 2.350 -0.399 -13.755 1.00 0.00 O ATOM 784 CB ILE A 53 1.953 -2.128 -11.588 1.00 0.00 C ATOM 785 CG1 ILE A 53 1.469 -3.215 -10.629 1.00 0.00 C ATOM 786 CG2 ILE A 53 2.733 -1.059 -10.837 1.00 0.00 C ATOM 787 CD1 ILE A 53 2.356 -4.441 -10.608 1.00 0.00 C ATOM 0 H ILE A 53 0.556 -3.366 -13.262 1.00 0.00 H new ATOM 0 HA ILE A 53 0.045 -1.122 -11.598 1.00 0.00 H new ATOM 0 HB ILE A 53 2.617 -2.587 -12.321 1.00 0.00 H new ATOM 0 HG12 ILE A 53 1.411 -2.801 -9.622 1.00 0.00 H new ATOM 0 HG13 ILE A 53 0.459 -3.512 -10.910 1.00 0.00 H new ATOM 0 HG21 ILE A 53 3.573 -1.519 -10.317 1.00 0.00 H new ATOM 0 HG22 ILE A 53 3.106 -0.317 -11.543 1.00 0.00 H new ATOM 0 HG23 ILE A 53 2.080 -0.574 -10.112 1.00 0.00 H new ATOM 0 HD11 ILE A 53 1.952 -5.170 -9.906 1.00 0.00 H new ATOM 0 HD12 ILE A 53 2.394 -4.880 -11.605 1.00 0.00 H new ATOM 0 HD13 ILE A 53 3.362 -4.157 -10.298 1.00 0.00 H new ATOM 799 N LYS A 54 0.457 0.717 -13.270 1.00 0.00 N ATOM 800 CA LYS A 54 0.818 1.892 -14.053 1.00 0.00 C ATOM 801 C LYS A 54 1.939 2.674 -13.374 1.00 0.00 C ATOM 802 O LYS A 54 2.733 3.340 -14.038 1.00 0.00 O ATOM 803 CB LYS A 54 -0.402 2.795 -14.247 1.00 0.00 C ATOM 804 CG LYS A 54 -0.914 2.825 -15.678 1.00 0.00 C ATOM 805 CD LYS A 54 -1.627 1.534 -16.041 1.00 0.00 C ATOM 806 CE LYS A 54 -0.730 0.612 -16.854 1.00 0.00 C ATOM 807 NZ LYS A 54 -1.450 0.025 -18.018 1.00 0.00 N ATOM 0 H LYS A 54 -0.448 0.782 -12.805 1.00 0.00 H new ATOM 0 HA LYS A 54 1.172 1.555 -15.027 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -1.203 2.456 -13.590 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -0.146 3.809 -13.940 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -1.596 3.666 -15.804 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -0.080 2.986 -16.361 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -1.945 1.025 -15.131 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -2.528 1.762 -16.611 1.00 0.00 H new ATOM 0 HE2 LYS A 54 0.139 1.168 -17.207 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -0.358 -0.189 -16.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -0.760 -0.339 -18.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -2.058 -0.754 -17.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -2.035 0.757 -18.469 1.00 0.00 H new ATOM 821 N ASN A 55 1.998 2.587 -12.049 1.00 0.00 N ATOM 822 CA ASN A 55 3.022 3.285 -11.282 1.00 0.00 C ATOM 823 C ASN A 55 3.098 2.744 -9.857 1.00 0.00 C ATOM 824 O ASN A 55 2.118 2.217 -9.330 1.00 0.00 O ATOM 825 CB ASN A 55 2.733 4.787 -11.254 1.00 0.00 C ATOM 826 CG ASN A 55 3.915 5.612 -11.725 1.00 0.00 C ATOM 827 OD1 ASN A 55 3.992 5.998 -12.892 1.00 0.00 O ATOM 828 ND2 ASN A 55 4.844 5.887 -10.817 1.00 0.00 N ATOM 0 H ASN A 55 1.348 2.040 -11.485 1.00 0.00 H new ATOM 0 HA ASN A 55 3.983 3.116 -11.768 1.00 0.00 H new ATOM 0 HB2 ASN A 55 1.870 5.000 -11.885 1.00 0.00 H new ATOM 0 HB3 ASN A 55 2.467 5.084 -10.240 1.00 0.00 H new ATOM 0 HD21 ASN A 55 5.662 6.439 -11.075 1.00 0.00 H new ATOM 0 HD22 ASN A 55 4.739 5.547 -9.861 1.00 0.00 H new ATOM 835 N TYR A 56 4.266 2.881 -9.240 1.00 0.00 N ATOM 836 CA TYR A 56 4.471 2.405 -7.878 1.00 0.00 C ATOM 837 C TYR A 56 5.503 3.263 -7.150 1.00 0.00 C ATOM 838 O TYR A 56 6.386 3.852 -7.773 1.00 0.00 O ATOM 839 CB TYR A 56 4.921 0.943 -7.887 1.00 0.00 C ATOM 840 CG TYR A 56 6.407 0.769 -8.110 1.00 0.00 C ATOM 841 CD1 TYR A 56 6.947 0.811 -9.390 1.00 0.00 C ATOM 842 CD2 TYR A 56 7.270 0.561 -7.042 1.00 0.00 C ATOM 843 CE1 TYR A 56 8.303 0.651 -9.600 1.00 0.00 C ATOM 844 CE2 TYR A 56 8.628 0.403 -7.241 1.00 0.00 C ATOM 845 CZ TYR A 56 9.140 0.448 -8.522 1.00 0.00 C ATOM 846 OH TYR A 56 10.491 0.289 -8.725 1.00 0.00 O ATOM 0 H TYR A 56 5.085 3.318 -9.662 1.00 0.00 H new ATOM 0 HA TYR A 56 3.522 2.482 -7.347 1.00 0.00 H new ATOM 0 HB2 TYR A 56 4.648 0.481 -6.938 1.00 0.00 H new ATOM 0 HB3 TYR A 56 4.380 0.410 -8.668 1.00 0.00 H new ATOM 0 HD1 TYR A 56 6.295 0.972 -10.236 1.00 0.00 H new ATOM 0 HD2 TYR A 56 6.873 0.522 -6.038 1.00 0.00 H new ATOM 0 HE1 TYR A 56 8.705 0.685 -10.602 1.00 0.00 H new ATOM 0 HE2 TYR A 56 9.285 0.245 -6.399 1.00 0.00 H new ATOM 0 HH TYR A 56 10.938 0.157 -7.863 1.00 0.00 H new ATOM 856 N ILE A 57 5.385 3.325 -5.828 1.00 0.00 N ATOM 857 CA ILE A 57 6.306 4.108 -5.016 1.00 0.00 C ATOM 858 C ILE A 57 6.742 3.332 -3.776 1.00 0.00 C ATOM 859 O ILE A 57 5.918 2.977 -2.932 1.00 0.00 O ATOM 860 CB ILE A 57 5.677 5.443 -4.577 1.00 0.00 C ATOM 861 CG1 ILE A 57 5.637 6.423 -5.751 1.00 0.00 C ATOM 862 CG2 ILE A 57 6.452 6.036 -3.410 1.00 0.00 C ATOM 863 CD1 ILE A 57 6.964 7.098 -6.019 1.00 0.00 C ATOM 0 H ILE A 57 4.660 2.842 -5.297 1.00 0.00 H new ATOM 0 HA ILE A 57 7.177 4.314 -5.638 1.00 0.00 H new ATOM 0 HB ILE A 57 4.654 5.256 -4.250 1.00 0.00 H new ATOM 0 HG12 ILE A 57 5.322 5.890 -6.648 1.00 0.00 H new ATOM 0 HG13 ILE A 57 4.884 7.186 -5.552 1.00 0.00 H new ATOM 0 HG21 ILE A 57 5.995 6.979 -3.111 1.00 0.00 H new ATOM 0 HG22 ILE A 57 6.433 5.342 -2.570 1.00 0.00 H new ATOM 0 HG23 ILE A 57 7.485 6.213 -3.711 1.00 0.00 H new ATOM 0 HD11 ILE A 57 6.862 7.779 -6.864 1.00 0.00 H new ATOM 0 HD12 ILE A 57 7.272 7.659 -5.136 1.00 0.00 H new ATOM 0 HD13 ILE A 57 7.716 6.343 -6.250 1.00 0.00 H new ATOM 875 N LEU A 58 8.041 3.073 -3.673 1.00 0.00 N ATOM 876 CA LEU A 58 8.587 2.341 -2.535 1.00 0.00 C ATOM 877 C LEU A 58 9.350 3.275 -1.602 1.00 0.00 C ATOM 878 O LEU A 58 10.521 3.578 -1.834 1.00 0.00 O ATOM 879 CB LEU A 58 9.508 1.220 -3.020 1.00 0.00 C ATOM 880 CG LEU A 58 9.063 -0.205 -2.685 1.00 0.00 C ATOM 881 CD1 LEU A 58 8.933 -0.384 -1.181 1.00 0.00 C ATOM 882 CD2 LEU A 58 7.749 -0.531 -3.379 1.00 0.00 C ATOM 0 H LEU A 58 8.736 3.359 -4.363 1.00 0.00 H new ATOM 0 HA LEU A 58 7.755 1.905 -1.981 1.00 0.00 H new ATOM 0 HB2 LEU A 58 9.610 1.303 -4.102 1.00 0.00 H new ATOM 0 HB3 LEU A 58 10.498 1.380 -2.594 1.00 0.00 H new ATOM 0 HG LEU A 58 9.823 -0.897 -3.048 1.00 0.00 H new ATOM 0 HD11 LEU A 58 8.616 -1.404 -0.962 1.00 0.00 H new ATOM 0 HD12 LEU A 58 9.896 -0.194 -0.707 1.00 0.00 H new ATOM 0 HD13 LEU A 58 8.194 0.317 -0.794 1.00 0.00 H new ATOM 0 HD21 LEU A 58 7.448 -1.548 -3.129 1.00 0.00 H new ATOM 0 HD22 LEU A 58 6.980 0.167 -3.048 1.00 0.00 H new ATOM 0 HD23 LEU A 58 7.876 -0.445 -4.458 1.00 0.00 H new ATOM 894 N MET A 59 8.681 3.727 -0.547 1.00 0.00 N ATOM 895 CA MET A 59 9.298 4.624 0.423 1.00 0.00 C ATOM 896 C MET A 59 9.859 3.841 1.607 1.00 0.00 C ATOM 897 O MET A 59 9.124 3.139 2.302 1.00 0.00 O ATOM 898 CB MET A 59 8.282 5.657 0.913 1.00 0.00 C ATOM 899 CG MET A 59 7.751 6.558 -0.190 1.00 0.00 C ATOM 900 SD MET A 59 6.921 8.024 0.452 1.00 0.00 S ATOM 901 CE MET A 59 5.896 8.471 -0.947 1.00 0.00 C ATOM 0 H MET A 59 7.711 3.487 -0.342 1.00 0.00 H new ATOM 0 HA MET A 59 10.121 5.142 -0.070 1.00 0.00 H new ATOM 0 HB2 MET A 59 7.446 5.138 1.381 1.00 0.00 H new ATOM 0 HB3 MET A 59 8.746 6.274 1.683 1.00 0.00 H new ATOM 0 HG2 MET A 59 8.576 6.864 -0.833 1.00 0.00 H new ATOM 0 HG3 MET A 59 7.055 5.994 -0.812 1.00 0.00 H new ATOM 0 HE1 MET A 59 5.280 9.331 -0.686 1.00 0.00 H new ATOM 0 HE2 MET A 59 6.530 8.723 -1.797 1.00 0.00 H new ATOM 0 HE3 MET A 59 5.253 7.631 -1.210 1.00 0.00 H new ATOM 911 N ARG A 60 11.162 3.968 1.831 1.00 0.00 N ATOM 912 CA ARG A 60 11.820 3.272 2.930 1.00 0.00 C ATOM 913 C ARG A 60 11.726 4.081 4.220 1.00 0.00 C ATOM 914 O ARG A 60 11.895 3.545 5.315 1.00 0.00 O ATOM 915 CB ARG A 60 13.287 3.006 2.588 1.00 0.00 C ATOM 916 CG ARG A 60 13.514 1.693 1.858 1.00 0.00 C ATOM 917 CD ARG A 60 14.764 1.745 0.994 1.00 0.00 C ATOM 918 NE ARG A 60 14.502 1.309 -0.375 1.00 0.00 N ATOM 919 CZ ARG A 60 14.024 0.108 -0.685 1.00 0.00 C ATOM 920 NH1 ARG A 60 13.758 -0.770 0.271 1.00 0.00 N ATOM 921 NH2 ARG A 60 13.812 -0.213 -1.955 1.00 0.00 N ATOM 0 H ARG A 60 11.784 4.547 1.266 1.00 0.00 H new ATOM 0 HA ARG A 60 11.311 2.320 3.081 1.00 0.00 H new ATOM 0 HB2 ARG A 60 13.662 3.824 1.972 1.00 0.00 H new ATOM 0 HB3 ARG A 60 13.871 3.006 3.508 1.00 0.00 H new ATOM 0 HG2 ARG A 60 13.605 0.884 2.582 1.00 0.00 H new ATOM 0 HG3 ARG A 60 12.649 1.468 1.235 1.00 0.00 H new ATOM 0 HD2 ARG A 60 15.154 2.763 0.982 1.00 0.00 H new ATOM 0 HD3 ARG A 60 15.535 1.113 1.434 1.00 0.00 H new ATOM 0 HE ARG A 60 14.696 1.962 -1.135 1.00 0.00 H new ATOM 0 HH11 ARG A 60 13.920 -0.525 1.248 1.00 0.00 H new ATOM 0 HH12 ARG A 60 13.391 -1.691 0.030 1.00 0.00 H new ATOM 0 HH21 ARG A 60 14.016 0.462 -2.692 1.00 0.00 H new ATOM 0 HH22 ARG A 60 13.445 -1.134 -2.194 1.00 0.00 H new ATOM 935 N MET A 61 11.455 5.375 4.083 1.00 0.00 N ATOM 936 CA MET A 61 11.337 6.258 5.237 1.00 0.00 C ATOM 937 C MET A 61 10.540 5.590 6.353 1.00 0.00 C ATOM 938 O MET A 61 11.107 5.123 7.341 1.00 0.00 O ATOM 939 CB MET A 61 10.669 7.574 4.834 1.00 0.00 C ATOM 940 CG MET A 61 11.548 8.794 5.054 1.00 0.00 C ATOM 941 SD MET A 61 11.209 10.116 3.876 1.00 0.00 S ATOM 942 CE MET A 61 12.868 10.520 3.334 1.00 0.00 C ATOM 0 H MET A 61 11.313 5.835 3.184 1.00 0.00 H new ATOM 0 HA MET A 61 12.341 6.468 5.607 1.00 0.00 H new ATOM 0 HB2 MET A 61 10.390 7.523 3.782 1.00 0.00 H new ATOM 0 HB3 MET A 61 9.747 7.693 5.403 1.00 0.00 H new ATOM 0 HG2 MET A 61 11.397 9.168 6.067 1.00 0.00 H new ATOM 0 HG3 MET A 61 12.595 8.502 4.975 1.00 0.00 H new ATOM 0 HE1 MET A 61 12.825 11.325 2.600 1.00 0.00 H new ATOM 0 HE2 MET A 61 13.462 10.841 4.190 1.00 0.00 H new ATOM 0 HE3 MET A 61 13.327 9.641 2.882 1.00 0.00 H new ATOM 952 N LYS A 62 9.222 5.549 6.189 1.00 0.00 N ATOM 953 CA LYS A 62 8.347 4.938 7.183 1.00 0.00 C ATOM 954 C LYS A 62 7.741 3.643 6.650 1.00 0.00 C ATOM 955 O LYS A 62 6.549 3.386 6.823 1.00 0.00 O ATOM 956 CB LYS A 62 7.233 5.909 7.577 1.00 0.00 C ATOM 957 CG LYS A 62 7.702 7.041 8.475 1.00 0.00 C ATOM 958 CD LYS A 62 6.750 8.225 8.425 1.00 0.00 C ATOM 959 CE LYS A 62 5.615 8.070 9.425 1.00 0.00 C ATOM 960 NZ LYS A 62 6.090 8.217 10.829 1.00 0.00 N ATOM 0 H LYS A 62 8.736 5.931 5.378 1.00 0.00 H new ATOM 0 HA LYS A 62 8.945 4.704 8.064 1.00 0.00 H new ATOM 0 HB2 LYS A 62 6.794 6.332 6.673 1.00 0.00 H new ATOM 0 HB3 LYS A 62 6.444 5.356 8.086 1.00 0.00 H new ATOM 0 HG2 LYS A 62 7.784 6.682 9.501 1.00 0.00 H new ATOM 0 HG3 LYS A 62 8.698 7.361 8.168 1.00 0.00 H new ATOM 0 HD2 LYS A 62 7.298 9.143 8.635 1.00 0.00 H new ATOM 0 HD3 LYS A 62 6.340 8.321 7.420 1.00 0.00 H new ATOM 0 HE2 LYS A 62 4.847 8.816 9.221 1.00 0.00 H new ATOM 0 HE3 LYS A 62 5.151 7.092 9.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 5.284 8.444 11.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 6.527 7.327 11.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 6.791 8.983 10.880 1.00 0.00 H new ATOM 974 N SER A 63 8.569 2.830 6.003 1.00 0.00 N ATOM 975 CA SER A 63 8.115 1.562 5.443 1.00 0.00 C ATOM 976 C SER A 63 6.758 1.724 4.765 1.00 0.00 C ATOM 977 O SER A 63 5.837 0.943 5.004 1.00 0.00 O ATOM 978 CB SER A 63 8.026 0.499 6.540 1.00 0.00 C ATOM 979 OG SER A 63 9.264 0.360 7.216 1.00 0.00 O ATOM 0 H SER A 63 9.559 3.026 5.853 1.00 0.00 H new ATOM 0 HA SER A 63 8.840 1.242 4.695 1.00 0.00 H new ATOM 0 HB2 SER A 63 7.247 0.771 7.253 1.00 0.00 H new ATOM 0 HB3 SER A 63 7.738 -0.457 6.102 1.00 0.00 H new ATOM 0 HG SER A 63 9.181 -0.324 7.913 1.00 0.00 H new ATOM 985 N GLN A 64 6.643 2.743 3.919 1.00 0.00 N ATOM 986 CA GLN A 64 5.399 3.007 3.207 1.00 0.00 C ATOM 987 C GLN A 64 5.590 2.852 1.702 1.00 0.00 C ATOM 988 O GLN A 64 6.712 2.900 1.200 1.00 0.00 O ATOM 989 CB GLN A 64 4.893 4.415 3.526 1.00 0.00 C ATOM 990 CG GLN A 64 4.450 4.590 4.971 1.00 0.00 C ATOM 991 CD GLN A 64 3.390 5.661 5.130 1.00 0.00 C ATOM 992 OE1 GLN A 64 2.194 5.369 5.162 1.00 0.00 O ATOM 993 NE2 GLN A 64 3.824 6.913 5.231 1.00 0.00 N ATOM 0 H GLN A 64 7.396 3.399 3.710 1.00 0.00 H new ATOM 0 HA GLN A 64 4.659 2.279 3.538 1.00 0.00 H new ATOM 0 HB2 GLN A 64 5.682 5.134 3.307 1.00 0.00 H new ATOM 0 HB3 GLN A 64 4.057 4.649 2.867 1.00 0.00 H new ATOM 0 HG2 GLN A 64 4.063 3.642 5.346 1.00 0.00 H new ATOM 0 HG3 GLN A 64 5.314 4.846 5.584 1.00 0.00 H new ATOM 0 HE21 GLN A 64 4.824 7.110 5.200 1.00 0.00 H new ATOM 0 HE22 GLN A 64 3.157 7.677 5.340 1.00 0.00 H new ATOM 1002 N ALA A 65 4.485 2.666 0.986 1.00 0.00 N ATOM 1003 CA ALA A 65 4.531 2.506 -0.462 1.00 0.00 C ATOM 1004 C ALA A 65 3.168 2.780 -1.088 1.00 0.00 C ATOM 1005 O ALA A 65 2.131 2.463 -0.504 1.00 0.00 O ATOM 1006 CB ALA A 65 5.008 1.107 -0.822 1.00 0.00 C ATOM 0 H ALA A 65 3.548 2.623 1.386 1.00 0.00 H new ATOM 0 HA ALA A 65 5.237 3.233 -0.862 1.00 0.00 H new ATOM 0 HB1 ALA A 65 5.038 1.001 -1.906 1.00 0.00 H new ATOM 0 HB2 ALA A 65 6.006 0.947 -0.414 1.00 0.00 H new ATOM 0 HB3 ALA A 65 4.322 0.370 -0.404 1.00 0.00 H new ATOM 1012 N PHE A 66 3.176 3.370 -2.278 1.00 0.00 N ATOM 1013 CA PHE A 66 1.940 3.688 -2.983 1.00 0.00 C ATOM 1014 C PHE A 66 1.934 3.069 -4.378 1.00 0.00 C ATOM 1015 O PHE A 66 2.760 3.413 -5.224 1.00 0.00 O ATOM 1016 CB PHE A 66 1.762 5.205 -3.085 1.00 0.00 C ATOM 1017 CG PHE A 66 1.743 5.897 -1.752 1.00 0.00 C ATOM 1018 CD1 PHE A 66 2.920 6.117 -1.054 1.00 0.00 C ATOM 1019 CD2 PHE A 66 0.548 6.329 -1.198 1.00 0.00 C ATOM 1020 CE1 PHE A 66 2.904 6.753 0.172 1.00 0.00 C ATOM 1021 CE2 PHE A 66 0.528 6.966 0.028 1.00 0.00 C ATOM 1022 CZ PHE A 66 1.707 7.179 0.714 1.00 0.00 C ATOM 0 H PHE A 66 4.025 3.638 -2.775 1.00 0.00 H new ATOM 0 HA PHE A 66 1.109 3.269 -2.415 1.00 0.00 H new ATOM 0 HB2 PHE A 66 2.570 5.618 -3.688 1.00 0.00 H new ATOM 0 HB3 PHE A 66 0.831 5.419 -3.610 1.00 0.00 H new ATOM 0 HD1 PHE A 66 3.859 5.788 -1.473 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -0.377 6.166 -1.730 1.00 0.00 H new ATOM 0 HE1 PHE A 66 3.828 6.917 0.707 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -0.410 7.297 0.449 1.00 0.00 H new ATOM 0 HZ PHE A 66 1.693 7.677 1.672 1.00 0.00 H new ATOM 1032 N ILE A 67 0.998 2.155 -4.608 1.00 0.00 N ATOM 1033 CA ILE A 67 0.884 1.488 -5.900 1.00 0.00 C ATOM 1034 C ILE A 67 -0.358 1.956 -6.652 1.00 0.00 C ATOM 1035 O ILE A 67 -1.484 1.726 -6.212 1.00 0.00 O ATOM 1036 CB ILE A 67 0.827 -0.043 -5.739 1.00 0.00 C ATOM 1037 CG1 ILE A 67 2.078 -0.548 -5.020 1.00 0.00 C ATOM 1038 CG2 ILE A 67 0.684 -0.712 -7.099 1.00 0.00 C ATOM 1039 CD1 ILE A 67 1.954 -1.970 -4.519 1.00 0.00 C ATOM 0 H ILE A 67 0.308 1.859 -3.918 1.00 0.00 H new ATOM 0 HA ILE A 67 1.773 1.752 -6.472 1.00 0.00 H new ATOM 0 HB ILE A 67 -0.044 -0.299 -5.136 1.00 0.00 H new ATOM 0 HG12 ILE A 67 2.928 -0.483 -5.699 1.00 0.00 H new ATOM 0 HG13 ILE A 67 2.293 0.108 -4.177 1.00 0.00 H new ATOM 0 HG21 ILE A 67 0.645 -1.794 -6.970 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -0.234 -0.370 -7.578 1.00 0.00 H new ATOM 0 HG23 ILE A 67 1.538 -0.452 -7.724 1.00 0.00 H new ATOM 0 HD11 ILE A 67 2.878 -2.262 -4.020 1.00 0.00 H new ATOM 0 HD12 ILE A 67 1.124 -2.037 -3.815 1.00 0.00 H new ATOM 0 HD13 ILE A 67 1.770 -2.638 -5.361 1.00 0.00 H new ATOM 1051 N GLU A 68 -0.143 2.611 -7.788 1.00 0.00 N ATOM 1052 CA GLU A 68 -1.245 3.111 -8.602 1.00 0.00 C ATOM 1053 C GLU A 68 -1.697 2.058 -9.610 1.00 0.00 C ATOM 1054 O GLU A 68 -1.020 1.807 -10.606 1.00 0.00 O ATOM 1055 CB GLU A 68 -0.831 4.389 -9.334 1.00 0.00 C ATOM 1056 CG GLU A 68 -1.862 4.877 -10.337 1.00 0.00 C ATOM 1057 CD GLU A 68 -1.299 5.907 -11.297 1.00 0.00 C ATOM 1058 OE1 GLU A 68 -0.209 6.447 -11.015 1.00 0.00 O ATOM 1059 OE2 GLU A 68 -1.948 6.174 -12.330 1.00 0.00 O ATOM 0 H GLU A 68 0.784 2.808 -8.166 1.00 0.00 H new ATOM 0 HA GLU A 68 -2.080 3.337 -7.938 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -0.649 5.175 -8.601 1.00 0.00 H new ATOM 0 HB3 GLU A 68 0.112 4.212 -9.852 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -2.243 4.027 -10.904 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -2.708 5.308 -9.802 1.00 0.00 H new ATOM 1066 N MET A 69 -2.845 1.445 -9.341 1.00 0.00 N ATOM 1067 CA MET A 69 -3.389 0.419 -10.225 1.00 0.00 C ATOM 1068 C MET A 69 -3.780 1.016 -11.573 1.00 0.00 C ATOM 1069 O MET A 69 -3.777 2.234 -11.748 1.00 0.00 O ATOM 1070 CB MET A 69 -4.602 -0.250 -9.579 1.00 0.00 C ATOM 1071 CG MET A 69 -4.296 -0.901 -8.240 1.00 0.00 C ATOM 1072 SD MET A 69 -4.728 -2.652 -8.204 1.00 0.00 S ATOM 1073 CE MET A 69 -3.522 -3.322 -9.345 1.00 0.00 C ATOM 0 H MET A 69 -3.417 1.640 -8.519 1.00 0.00 H new ATOM 0 HA MET A 69 -2.616 -0.331 -10.390 1.00 0.00 H new ATOM 0 HB2 MET A 69 -5.386 0.494 -9.441 1.00 0.00 H new ATOM 0 HB3 MET A 69 -4.995 -1.005 -10.259 1.00 0.00 H new ATOM 0 HG2 MET A 69 -3.235 -0.788 -8.020 1.00 0.00 H new ATOM 0 HG3 MET A 69 -4.842 -0.380 -7.454 1.00 0.00 H new ATOM 0 HE1 MET A 69 -3.516 -4.409 -9.271 1.00 0.00 H new ATOM 0 HE2 MET A 69 -3.781 -3.029 -10.362 1.00 0.00 H new ATOM 0 HE3 MET A 69 -2.533 -2.936 -9.097 1.00 0.00 H new ATOM 1083 N GLU A 70 -4.115 0.149 -12.524 1.00 0.00 N ATOM 1084 CA GLU A 70 -4.508 0.591 -13.856 1.00 0.00 C ATOM 1085 C GLU A 70 -5.902 1.214 -13.835 1.00 0.00 C ATOM 1086 O GLU A 70 -6.162 2.205 -14.518 1.00 0.00 O ATOM 1087 CB GLU A 70 -4.477 -0.582 -14.838 1.00 0.00 C ATOM 1088 CG GLU A 70 -4.762 -0.181 -16.276 1.00 0.00 C ATOM 1089 CD GLU A 70 -5.456 -1.278 -17.060 1.00 0.00 C ATOM 1090 OE1 GLU A 70 -6.455 -1.831 -16.553 1.00 0.00 O ATOM 1091 OE2 GLU A 70 -5.000 -1.583 -18.182 1.00 0.00 O ATOM 0 H GLU A 70 -4.122 -0.863 -12.396 1.00 0.00 H new ATOM 0 HA GLU A 70 -3.795 1.348 -14.183 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -3.498 -1.059 -14.790 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -5.210 -1.326 -14.525 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -5.383 0.715 -16.283 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -3.825 0.077 -16.770 1.00 0.00 H new ATOM 1098 N THR A 71 -6.794 0.625 -13.045 1.00 0.00 N ATOM 1099 CA THR A 71 -8.160 1.119 -12.935 1.00 0.00 C ATOM 1100 C THR A 71 -8.636 1.104 -11.486 1.00 0.00 C ATOM 1101 O THR A 71 -7.888 0.731 -10.582 1.00 0.00 O ATOM 1102 CB THR A 71 -9.131 0.283 -13.791 1.00 0.00 C ATOM 1103 OG1 THR A 71 -9.621 -0.827 -13.031 1.00 0.00 O ATOM 1104 CG2 THR A 71 -8.443 -0.223 -15.050 1.00 0.00 C ATOM 0 H THR A 71 -6.594 -0.195 -12.472 1.00 0.00 H new ATOM 0 HA THR A 71 -8.155 2.145 -13.302 1.00 0.00 H new ATOM 0 HB THR A 71 -9.966 0.921 -14.083 1.00 0.00 H new ATOM 0 HG1 THR A 71 -10.109 -1.438 -13.622 1.00 0.00 H new ATOM 0 HG21 THR A 71 -9.148 -0.811 -15.639 1.00 0.00 H new ATOM 0 HG22 THR A 71 -8.095 0.625 -15.640 1.00 0.00 H new ATOM 0 HG23 THR A 71 -7.592 -0.846 -14.774 1.00 0.00 H new ATOM 1112 N ARG A 72 -9.882 1.509 -11.273 1.00 0.00 N ATOM 1113 CA ARG A 72 -10.457 1.542 -9.934 1.00 0.00 C ATOM 1114 C ARG A 72 -10.864 0.142 -9.483 1.00 0.00 C ATOM 1115 O ARG A 72 -10.798 -0.181 -8.297 1.00 0.00 O ATOM 1116 CB ARG A 72 -11.671 2.473 -9.899 1.00 0.00 C ATOM 1117 CG ARG A 72 -12.010 2.978 -8.506 1.00 0.00 C ATOM 1118 CD ARG A 72 -11.872 4.490 -8.413 1.00 0.00 C ATOM 1119 NE ARG A 72 -11.745 4.944 -7.031 1.00 0.00 N ATOM 1120 CZ ARG A 72 -11.987 6.190 -6.641 1.00 0.00 C ATOM 1121 NH1 ARG A 72 -12.369 7.102 -7.525 1.00 0.00 N ATOM 1122 NH2 ARG A 72 -11.849 6.527 -5.366 1.00 0.00 N ATOM 0 H ARG A 72 -10.514 1.819 -12.011 1.00 0.00 H new ATOM 0 HA ARG A 72 -9.698 1.920 -9.249 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -11.483 3.327 -10.550 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -12.534 1.946 -10.306 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -13.029 2.688 -8.251 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -11.352 2.506 -7.776 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -10.999 4.810 -8.981 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -12.741 4.962 -8.871 1.00 0.00 H new ATOM 0 HE ARG A 72 -11.454 4.266 -6.326 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -12.477 6.847 -8.507 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -12.554 8.059 -7.223 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -11.556 5.829 -4.683 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -12.035 7.485 -5.069 1.00 0.00 H new ATOM 1136 N GLU A 73 -11.285 -0.683 -10.436 1.00 0.00 N ATOM 1137 CA GLU A 73 -11.704 -2.047 -10.135 1.00 0.00 C ATOM 1138 C GLU A 73 -10.577 -2.825 -9.459 1.00 0.00 C ATOM 1139 O GLU A 73 -10.799 -3.526 -8.471 1.00 0.00 O ATOM 1140 CB GLU A 73 -12.136 -2.765 -11.414 1.00 0.00 C ATOM 1141 CG GLU A 73 -13.593 -2.535 -11.778 1.00 0.00 C ATOM 1142 CD GLU A 73 -14.470 -3.731 -11.460 1.00 0.00 C ATOM 1143 OE1 GLU A 73 -14.356 -4.755 -12.165 1.00 0.00 O ATOM 1144 OE2 GLU A 73 -15.271 -3.641 -10.506 1.00 0.00 O ATOM 0 H GLU A 73 -11.345 -0.431 -11.423 1.00 0.00 H new ATOM 0 HA GLU A 73 -12.551 -1.997 -9.451 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -11.507 -2.430 -12.239 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -11.964 -3.835 -11.296 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -13.965 -1.663 -11.240 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -13.666 -2.308 -12.842 1.00 0.00 H new ATOM 1151 N ASP A 74 -9.370 -2.696 -9.998 1.00 0.00 N ATOM 1152 CA ASP A 74 -8.209 -3.386 -9.447 1.00 0.00 C ATOM 1153 C ASP A 74 -7.902 -2.890 -8.037 1.00 0.00 C ATOM 1154 O ASP A 74 -7.943 -3.658 -7.076 1.00 0.00 O ATOM 1155 CB ASP A 74 -6.992 -3.181 -10.351 1.00 0.00 C ATOM 1156 CG ASP A 74 -7.300 -3.459 -11.809 1.00 0.00 C ATOM 1157 OD1 ASP A 74 -8.119 -4.361 -12.080 1.00 0.00 O ATOM 1158 OD2 ASP A 74 -6.721 -2.774 -12.679 1.00 0.00 O ATOM 0 H ASP A 74 -9.170 -2.120 -10.816 1.00 0.00 H new ATOM 0 HA ASP A 74 -8.438 -4.450 -9.396 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -6.635 -2.157 -10.247 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -6.185 -3.835 -10.022 1.00 0.00 H new ATOM 1163 N ALA A 75 -7.592 -1.603 -7.923 1.00 0.00 N ATOM 1164 CA ALA A 75 -7.277 -1.005 -6.631 1.00 0.00 C ATOM 1165 C ALA A 75 -8.343 -1.345 -5.595 1.00 0.00 C ATOM 1166 O ALA A 75 -8.029 -1.776 -4.485 1.00 0.00 O ATOM 1167 CB ALA A 75 -7.133 0.502 -6.768 1.00 0.00 C ATOM 0 H ALA A 75 -7.552 -0.954 -8.709 1.00 0.00 H new ATOM 0 HA ALA A 75 -6.329 -1.419 -6.288 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -6.898 0.935 -5.796 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -6.330 0.728 -7.470 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -8.067 0.925 -7.137 1.00 0.00 H new ATOM 1173 N MET A 76 -9.604 -1.148 -5.965 1.00 0.00 N ATOM 1174 CA MET A 76 -10.717 -1.435 -5.065 1.00 0.00 C ATOM 1175 C MET A 76 -10.706 -2.898 -4.636 1.00 0.00 C ATOM 1176 O MET A 76 -10.963 -3.215 -3.475 1.00 0.00 O ATOM 1177 CB MET A 76 -12.047 -1.099 -5.745 1.00 0.00 C ATOM 1178 CG MET A 76 -12.205 0.375 -6.078 1.00 0.00 C ATOM 1179 SD MET A 76 -13.251 1.246 -4.894 1.00 0.00 S ATOM 1180 CE MET A 76 -12.230 2.671 -4.526 1.00 0.00 C ATOM 0 H MET A 76 -9.881 -0.792 -6.880 1.00 0.00 H new ATOM 0 HA MET A 76 -10.604 -0.815 -4.176 1.00 0.00 H new ATOM 0 HB2 MET A 76 -12.134 -1.681 -6.662 1.00 0.00 H new ATOM 0 HB3 MET A 76 -12.866 -1.406 -5.094 1.00 0.00 H new ATOM 0 HG2 MET A 76 -11.222 0.845 -6.103 1.00 0.00 H new ATOM 0 HG3 MET A 76 -12.632 0.474 -7.076 1.00 0.00 H new ATOM 0 HE1 MET A 76 -11.969 2.668 -3.468 1.00 0.00 H new ATOM 0 HE2 MET A 76 -11.320 2.630 -5.124 1.00 0.00 H new ATOM 0 HE3 MET A 76 -12.779 3.583 -4.762 1.00 0.00 H new ATOM 1190 N ALA A 77 -10.407 -3.785 -5.579 1.00 0.00 N ATOM 1191 CA ALA A 77 -10.360 -5.214 -5.297 1.00 0.00 C ATOM 1192 C ALA A 77 -9.273 -5.537 -4.278 1.00 0.00 C ATOM 1193 O ALA A 77 -9.402 -6.480 -3.496 1.00 0.00 O ATOM 1194 CB ALA A 77 -10.133 -5.999 -6.581 1.00 0.00 C ATOM 0 H ALA A 77 -10.194 -3.539 -6.546 1.00 0.00 H new ATOM 0 HA ALA A 77 -11.320 -5.506 -4.871 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -10.100 -7.065 -6.355 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -10.948 -5.801 -7.277 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -9.188 -5.694 -7.031 1.00 0.00 H new ATOM 1200 N MET A 78 -8.202 -4.752 -4.294 1.00 0.00 N ATOM 1201 CA MET A 78 -7.092 -4.955 -3.369 1.00 0.00 C ATOM 1202 C MET A 78 -7.492 -4.575 -1.947 1.00 0.00 C ATOM 1203 O MET A 78 -7.521 -5.420 -1.053 1.00 0.00 O ATOM 1204 CB MET A 78 -5.878 -4.133 -3.808 1.00 0.00 C ATOM 1205 CG MET A 78 -4.554 -4.853 -3.612 1.00 0.00 C ATOM 1206 SD MET A 78 -3.151 -3.912 -4.244 1.00 0.00 S ATOM 1207 CE MET A 78 -1.832 -4.530 -3.203 1.00 0.00 C ATOM 0 H MET A 78 -8.078 -3.970 -4.937 1.00 0.00 H new ATOM 0 HA MET A 78 -6.829 -6.013 -3.382 1.00 0.00 H new ATOM 0 HB2 MET A 78 -5.988 -3.872 -4.860 1.00 0.00 H new ATOM 0 HB3 MET A 78 -5.860 -3.198 -3.248 1.00 0.00 H new ATOM 0 HG2 MET A 78 -4.406 -5.050 -2.550 1.00 0.00 H new ATOM 0 HG3 MET A 78 -4.593 -5.820 -4.113 1.00 0.00 H new ATOM 0 HE1 MET A 78 -1.419 -3.711 -2.614 1.00 0.00 H new ATOM 0 HE2 MET A 78 -2.225 -5.296 -2.534 1.00 0.00 H new ATOM 0 HE3 MET A 78 -1.048 -4.960 -3.826 1.00 0.00 H new ATOM 1217 N VAL A 79 -7.799 -3.297 -1.745 1.00 0.00 N ATOM 1218 CA VAL A 79 -8.198 -2.805 -0.432 1.00 0.00 C ATOM 1219 C VAL A 79 -9.297 -3.673 0.169 1.00 0.00 C ATOM 1220 O VAL A 79 -9.366 -3.851 1.385 1.00 0.00 O ATOM 1221 CB VAL A 79 -8.690 -1.348 -0.504 1.00 0.00 C ATOM 1222 CG1 VAL A 79 -7.687 -0.481 -1.253 1.00 0.00 C ATOM 1223 CG2 VAL A 79 -10.060 -1.281 -1.161 1.00 0.00 C ATOM 0 H VAL A 79 -7.779 -2.584 -2.474 1.00 0.00 H new ATOM 0 HA VAL A 79 -7.315 -2.850 0.205 1.00 0.00 H new ATOM 0 HB VAL A 79 -8.780 -0.962 0.512 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -8.052 0.545 -1.294 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -6.728 -0.505 -0.736 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -7.562 -0.862 -2.267 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -10.393 -0.244 -1.204 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -9.999 -1.684 -2.172 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -10.772 -1.867 -0.579 1.00 0.00 H new ATOM 1233 N ASP A 80 -10.155 -4.209 -0.691 1.00 0.00 N ATOM 1234 CA ASP A 80 -11.252 -5.060 -0.246 1.00 0.00 C ATOM 1235 C ASP A 80 -10.742 -6.442 0.152 1.00 0.00 C ATOM 1236 O ASP A 80 -11.183 -7.015 1.150 1.00 0.00 O ATOM 1237 CB ASP A 80 -12.305 -5.190 -1.348 1.00 0.00 C ATOM 1238 CG ASP A 80 -13.721 -5.119 -0.808 1.00 0.00 C ATOM 1239 OD1 ASP A 80 -13.916 -4.514 0.266 1.00 0.00 O ATOM 1240 OD2 ASP A 80 -14.632 -5.669 -1.460 1.00 0.00 O ATOM 0 H ASP A 80 -10.112 -4.069 -1.700 1.00 0.00 H new ATOM 0 HA ASP A 80 -11.707 -4.595 0.628 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -12.159 -4.397 -2.081 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -12.165 -6.137 -1.870 1.00 0.00 H new ATOM 1245 N HIS A 81 -9.811 -6.973 -0.634 1.00 0.00 N ATOM 1246 CA HIS A 81 -9.241 -8.288 -0.363 1.00 0.00 C ATOM 1247 C HIS A 81 -8.640 -8.342 1.038 1.00 0.00 C ATOM 1248 O HIS A 81 -8.564 -9.407 1.651 1.00 0.00 O ATOM 1249 CB HIS A 81 -8.172 -8.626 -1.403 1.00 0.00 C ATOM 1250 CG HIS A 81 -8.329 -9.991 -2.001 1.00 0.00 C ATOM 1251 ND1 HIS A 81 -8.665 -10.199 -3.323 1.00 0.00 N ATOM 1252 CD2 HIS A 81 -8.193 -11.219 -1.451 1.00 0.00 C ATOM 1253 CE1 HIS A 81 -8.730 -11.497 -3.558 1.00 0.00 C ATOM 1254 NE2 HIS A 81 -8.448 -12.139 -2.439 1.00 0.00 N ATOM 0 H HIS A 81 -9.435 -6.513 -1.463 1.00 0.00 H new ATOM 0 HA HIS A 81 -10.042 -9.024 -0.423 1.00 0.00 H new ATOM 0 HB2 HIS A 81 -8.204 -7.883 -2.200 1.00 0.00 H new ATOM 0 HB3 HIS A 81 -7.189 -8.553 -0.938 1.00 0.00 H new ATOM 0 HD2 HIS A 81 -7.932 -11.436 -0.426 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -8.973 -11.956 -4.505 1.00 0.00 H new ATOM 0 HE2 HIS A 81 -8.423 -13.152 -2.327 1.00 0.00 H new ATOM 1262 N CYS A 82 -8.213 -7.187 1.538 1.00 0.00 N ATOM 1263 CA CYS A 82 -7.618 -7.104 2.867 1.00 0.00 C ATOM 1264 C CYS A 82 -8.689 -6.896 3.932 1.00 0.00 C ATOM 1265 O CYS A 82 -8.438 -7.075 5.124 1.00 0.00 O ATOM 1266 CB CYS A 82 -6.600 -5.962 2.921 1.00 0.00 C ATOM 1267 SG CYS A 82 -6.185 -5.423 4.596 1.00 0.00 S ATOM 0 H CYS A 82 -8.268 -6.297 1.044 1.00 0.00 H new ATOM 0 HA CYS A 82 -7.109 -8.047 3.070 1.00 0.00 H new ATOM 0 HB2 CYS A 82 -5.687 -6.279 2.416 1.00 0.00 H new ATOM 0 HB3 CYS A 82 -6.994 -5.112 2.364 1.00 0.00 H new ATOM 0 HG CYS A 82 -7.022 -5.948 5.441 1.00 0.00 H new ATOM 1273 N LEU A 83 -9.885 -6.516 3.494 1.00 0.00 N ATOM 1274 CA LEU A 83 -10.997 -6.282 4.409 1.00 0.00 C ATOM 1275 C LEU A 83 -11.587 -7.601 4.897 1.00 0.00 C ATOM 1276 O LEU A 83 -11.812 -7.789 6.092 1.00 0.00 O ATOM 1277 CB LEU A 83 -12.080 -5.446 3.725 1.00 0.00 C ATOM 1278 CG LEU A 83 -11.837 -3.937 3.684 1.00 0.00 C ATOM 1279 CD1 LEU A 83 -12.823 -3.263 2.743 1.00 0.00 C ATOM 1280 CD2 LEU A 83 -11.940 -3.343 5.081 1.00 0.00 C ATOM 0 H LEU A 83 -10.109 -6.363 2.511 1.00 0.00 H new ATOM 0 HA LEU A 83 -10.617 -5.735 5.271 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -12.194 -5.803 2.702 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -13.027 -5.628 4.234 1.00 0.00 H new ATOM 0 HG LEU A 83 -10.829 -3.760 3.308 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -12.635 -2.189 2.727 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -12.702 -3.668 1.738 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -13.840 -3.448 3.088 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -11.764 -2.268 5.033 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -12.935 -3.530 5.484 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -11.194 -3.804 5.728 1.00 0.00 H new ATOM 1292 N LYS A 84 -11.837 -8.513 3.962 1.00 0.00 N ATOM 1293 CA LYS A 84 -12.398 -9.816 4.295 1.00 0.00 C ATOM 1294 C LYS A 84 -11.330 -10.737 4.875 1.00 0.00 C ATOM 1295 O LYS A 84 -11.556 -11.414 5.878 1.00 0.00 O ATOM 1296 CB LYS A 84 -13.021 -10.458 3.053 1.00 0.00 C ATOM 1297 CG LYS A 84 -14.320 -9.803 2.617 1.00 0.00 C ATOM 1298 CD LYS A 84 -14.075 -8.700 1.600 1.00 0.00 C ATOM 1299 CE LYS A 84 -13.806 -9.269 0.215 1.00 0.00 C ATOM 1300 NZ LYS A 84 -14.988 -9.133 -0.679 1.00 0.00 N ATOM 0 H LYS A 84 -11.659 -8.372 2.967 1.00 0.00 H new ATOM 0 HA LYS A 84 -13.172 -9.668 5.048 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -12.306 -10.410 2.232 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -13.205 -11.513 3.253 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -14.981 -10.555 2.187 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -14.830 -9.390 3.487 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -14.942 -8.040 1.561 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -13.226 -8.094 1.917 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -12.953 -8.755 -0.229 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -13.535 -10.321 0.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -14.765 -9.532 -1.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -15.795 -9.644 -0.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -15.232 -8.127 -0.782 1.00 0.00 H new ATOM 1314 N LYS A 85 -10.164 -10.758 4.237 1.00 0.00 N ATOM 1315 CA LYS A 85 -9.059 -11.594 4.690 1.00 0.00 C ATOM 1316 C LYS A 85 -7.820 -10.751 4.974 1.00 0.00 C ATOM 1317 O LYS A 85 -7.675 -9.646 4.450 1.00 0.00 O ATOM 1318 CB LYS A 85 -8.733 -12.658 3.640 1.00 0.00 C ATOM 1319 CG LYS A 85 -7.705 -13.676 4.102 1.00 0.00 C ATOM 1320 CD LYS A 85 -7.849 -14.992 3.357 1.00 0.00 C ATOM 1321 CE LYS A 85 -6.543 -15.771 3.345 1.00 0.00 C ATOM 1322 NZ LYS A 85 -6.454 -16.725 4.485 1.00 0.00 N ATOM 0 H LYS A 85 -9.960 -10.205 3.404 1.00 0.00 H new ATOM 0 HA LYS A 85 -9.364 -12.085 5.614 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -9.650 -13.179 3.367 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -8.365 -12.166 2.739 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -6.702 -13.277 3.948 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -7.818 -13.849 5.172 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -8.628 -15.593 3.825 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -8.168 -14.799 2.333 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -6.455 -16.318 2.406 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -5.705 -15.075 3.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -5.549 -17.236 4.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -6.512 -16.201 5.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -7.239 -17.405 4.430 1.00 0.00 H new ATOM 1336 N ALA A 86 -6.929 -11.279 5.807 1.00 0.00 N ATOM 1337 CA ALA A 86 -5.701 -10.576 6.159 1.00 0.00 C ATOM 1338 C ALA A 86 -4.658 -10.707 5.055 1.00 0.00 C ATOM 1339 O ALA A 86 -4.168 -11.802 4.776 1.00 0.00 O ATOM 1340 CB ALA A 86 -5.149 -11.103 7.475 1.00 0.00 C ATOM 0 H ALA A 86 -7.035 -12.191 6.251 1.00 0.00 H new ATOM 0 HA ALA A 86 -5.938 -9.518 6.275 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -4.232 -10.569 7.725 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -5.884 -10.951 8.265 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -4.934 -12.167 7.379 1.00 0.00 H new ATOM 1346 N LEU A 87 -4.323 -9.585 4.426 1.00 0.00 N ATOM 1347 CA LEU A 87 -3.338 -9.575 3.351 1.00 0.00 C ATOM 1348 C LEU A 87 -1.919 -9.631 3.910 1.00 0.00 C ATOM 1349 O LEU A 87 -1.509 -8.758 4.676 1.00 0.00 O ATOM 1350 CB LEU A 87 -3.508 -8.323 2.488 1.00 0.00 C ATOM 1351 CG LEU A 87 -3.017 -8.432 1.044 1.00 0.00 C ATOM 1352 CD1 LEU A 87 -3.902 -7.613 0.117 1.00 0.00 C ATOM 1353 CD2 LEU A 87 -1.568 -7.981 0.938 1.00 0.00 C ATOM 0 H LEU A 87 -4.720 -8.671 4.643 1.00 0.00 H new ATOM 0 HA LEU A 87 -3.501 -10.459 2.735 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -4.565 -8.058 2.472 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -2.980 -7.500 2.969 1.00 0.00 H new ATOM 0 HG LEU A 87 -3.074 -9.477 0.738 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -3.538 -7.702 -0.906 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -4.926 -7.982 0.171 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -3.877 -6.567 0.421 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -1.235 -8.065 -0.097 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -1.485 -6.944 1.262 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -0.944 -8.610 1.572 1.00 0.00 H new ATOM 1365 N TRP A 88 -1.177 -10.661 3.523 1.00 0.00 N ATOM 1366 CA TRP A 88 0.197 -10.830 3.984 1.00 0.00 C ATOM 1367 C TRP A 88 1.179 -10.710 2.826 1.00 0.00 C ATOM 1368 O TRP A 88 1.132 -11.491 1.876 1.00 0.00 O ATOM 1369 CB TRP A 88 0.362 -12.186 4.673 1.00 0.00 C ATOM 1370 CG TRP A 88 -0.429 -12.311 5.939 1.00 0.00 C ATOM 1371 CD1 TRP A 88 -1.690 -12.817 6.070 1.00 0.00 C ATOM 1372 CD2 TRP A 88 -0.012 -11.921 7.251 1.00 0.00 C ATOM 1373 NE1 TRP A 88 -2.083 -12.765 7.386 1.00 0.00 N ATOM 1374 CE2 TRP A 88 -1.071 -12.220 8.131 1.00 0.00 C ATOM 1375 CE3 TRP A 88 1.153 -11.350 7.770 1.00 0.00 C ATOM 1376 CZ2 TRP A 88 -0.997 -11.967 9.499 1.00 0.00 C ATOM 1377 CZ3 TRP A 88 1.225 -11.099 9.127 1.00 0.00 C ATOM 1378 CH2 TRP A 88 0.156 -11.407 9.978 1.00 0.00 C ATOM 0 H TRP A 88 -1.503 -11.392 2.891 1.00 0.00 H new ATOM 0 HA TRP A 88 0.414 -10.038 4.701 1.00 0.00 H new ATOM 0 HB2 TRP A 88 0.058 -12.974 3.984 1.00 0.00 H new ATOM 0 HB3 TRP A 88 1.417 -12.346 4.895 1.00 0.00 H new ATOM 0 HD1 TRP A 88 -2.291 -13.202 5.259 1.00 0.00 H new ATOM 0 HE1 TRP A 88 -2.982 -13.081 7.749 1.00 0.00 H new ATOM 0 HE3 TRP A 88 1.983 -11.109 7.122 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 -1.820 -12.204 10.157 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 2.121 -10.658 9.538 1.00 0.00 H new ATOM 0 HH2 TRP A 88 0.244 -11.198 11.034 1.00 0.00 H new ATOM 1389 N PHE A 89 2.069 -9.727 2.909 1.00 0.00 N ATOM 1390 CA PHE A 89 3.063 -9.504 1.866 1.00 0.00 C ATOM 1391 C PHE A 89 4.308 -10.353 2.111 1.00 0.00 C ATOM 1392 O PHE A 89 4.719 -11.130 1.251 1.00 0.00 O ATOM 1393 CB PHE A 89 3.446 -8.023 1.803 1.00 0.00 C ATOM 1394 CG PHE A 89 4.777 -7.775 1.153 1.00 0.00 C ATOM 1395 CD1 PHE A 89 5.232 -8.602 0.138 1.00 0.00 C ATOM 1396 CD2 PHE A 89 5.573 -6.716 1.557 1.00 0.00 C ATOM 1397 CE1 PHE A 89 6.456 -8.376 -0.463 1.00 0.00 C ATOM 1398 CE2 PHE A 89 6.798 -6.485 0.959 1.00 0.00 C ATOM 1399 CZ PHE A 89 7.241 -7.317 -0.050 1.00 0.00 C ATOM 0 H PHE A 89 2.122 -9.071 3.689 1.00 0.00 H new ATOM 0 HA PHE A 89 2.625 -9.799 0.913 1.00 0.00 H new ATOM 0 HB2 PHE A 89 2.676 -7.480 1.255 1.00 0.00 H new ATOM 0 HB3 PHE A 89 3.463 -7.617 2.814 1.00 0.00 H new ATOM 0 HD1 PHE A 89 4.623 -9.433 -0.187 1.00 0.00 H new ATOM 0 HD2 PHE A 89 5.233 -6.064 2.348 1.00 0.00 H new ATOM 0 HE1 PHE A 89 6.798 -9.026 -1.254 1.00 0.00 H new ATOM 0 HE2 PHE A 89 7.408 -5.654 1.281 1.00 0.00 H new ATOM 0 HZ PHE A 89 8.199 -7.140 -0.515 1.00 0.00 H new ATOM 1409 N GLN A 90 4.901 -10.195 3.290 1.00 0.00 N ATOM 1410 CA GLN A 90 6.099 -10.946 3.647 1.00 0.00 C ATOM 1411 C GLN A 90 6.163 -11.185 5.152 1.00 0.00 C ATOM 1412 O GLN A 90 7.084 -10.726 5.825 1.00 0.00 O ATOM 1413 CB GLN A 90 7.352 -10.199 3.184 1.00 0.00 C ATOM 1414 CG GLN A 90 7.883 -10.677 1.842 1.00 0.00 C ATOM 1415 CD GLN A 90 9.392 -10.811 1.827 1.00 0.00 C ATOM 1416 OE1 GLN A 90 10.053 -10.638 2.852 1.00 0.00 O ATOM 1417 NE2 GLN A 90 9.948 -11.122 0.661 1.00 0.00 N ATOM 0 H GLN A 90 4.572 -9.555 4.013 1.00 0.00 H new ATOM 0 HA GLN A 90 6.054 -11.913 3.145 1.00 0.00 H new ATOM 0 HB2 GLN A 90 7.127 -9.135 3.118 1.00 0.00 H new ATOM 0 HB3 GLN A 90 8.132 -10.314 3.936 1.00 0.00 H new ATOM 0 HG2 GLN A 90 7.434 -11.640 1.600 1.00 0.00 H new ATOM 0 HG3 GLN A 90 7.576 -9.978 1.064 1.00 0.00 H new ATOM 0 HE21 GLN A 90 9.363 -11.256 -0.163 1.00 0.00 H new ATOM 0 HE22 GLN A 90 10.960 -11.226 0.590 1.00 0.00 H new ATOM 1426 N GLY A 91 5.175 -11.907 5.674 1.00 0.00 N ATOM 1427 CA GLY A 91 5.138 -12.193 7.096 1.00 0.00 C ATOM 1428 C GLY A 91 4.514 -11.069 7.898 1.00 0.00 C ATOM 1429 O GLY A 91 4.493 -11.112 9.129 1.00 0.00 O ATOM 0 H GLY A 91 4.401 -12.298 5.138 1.00 0.00 H new ATOM 0 HA2 GLY A 91 4.575 -13.111 7.264 1.00 0.00 H new ATOM 0 HA3 GLY A 91 6.152 -12.371 7.454 1.00 0.00 H new ATOM 1433 N ARG A 92 4.009 -10.056 7.201 1.00 0.00 N ATOM 1434 CA ARG A 92 3.385 -8.913 7.856 1.00 0.00 C ATOM 1435 C ARG A 92 2.001 -8.641 7.275 1.00 0.00 C ATOM 1436 O ARG A 92 1.740 -8.927 6.105 1.00 0.00 O ATOM 1437 CB ARG A 92 4.265 -7.671 7.709 1.00 0.00 C ATOM 1438 CG ARG A 92 5.655 -7.835 8.303 1.00 0.00 C ATOM 1439 CD ARG A 92 5.782 -7.104 9.632 1.00 0.00 C ATOM 1440 NE ARG A 92 4.993 -7.740 10.683 1.00 0.00 N ATOM 1441 CZ ARG A 92 4.961 -7.308 11.939 1.00 0.00 C ATOM 1442 NH1 ARG A 92 5.669 -6.247 12.297 1.00 0.00 N ATOM 1443 NH2 ARG A 92 4.218 -7.940 12.840 1.00 0.00 N ATOM 0 H ARG A 92 4.020 -10.004 6.182 1.00 0.00 H new ATOM 0 HA ARG A 92 3.275 -9.149 8.914 1.00 0.00 H new ATOM 0 HB2 ARG A 92 4.358 -7.425 6.651 1.00 0.00 H new ATOM 0 HB3 ARG A 92 3.771 -6.827 8.190 1.00 0.00 H new ATOM 0 HG2 ARG A 92 5.868 -8.894 8.447 1.00 0.00 H new ATOM 0 HG3 ARG A 92 6.398 -7.453 7.604 1.00 0.00 H new ATOM 0 HD2 ARG A 92 6.830 -7.076 9.932 1.00 0.00 H new ATOM 0 HD3 ARG A 92 5.457 -6.071 9.510 1.00 0.00 H new ATOM 0 HE ARG A 92 4.437 -8.560 10.440 1.00 0.00 H new ATOM 0 HH11 ARG A 92 6.241 -5.759 11.608 1.00 0.00 H new ATOM 0 HH12 ARG A 92 5.642 -5.918 13.262 1.00 0.00 H new ATOM 0 HH21 ARG A 92 3.672 -8.757 12.568 1.00 0.00 H new ATOM 0 HH22 ARG A 92 4.194 -7.608 13.804 1.00 0.00 H new ATOM 1457 N CYS A 93 1.117 -8.088 8.098 1.00 0.00 N ATOM 1458 CA CYS A 93 -0.241 -7.779 7.666 1.00 0.00 C ATOM 1459 C CYS A 93 -0.317 -6.374 7.077 1.00 0.00 C ATOM 1460 O CYS A 93 -1.194 -5.587 7.434 1.00 0.00 O ATOM 1461 CB CYS A 93 -1.214 -7.906 8.840 1.00 0.00 C ATOM 1462 SG CYS A 93 -2.946 -8.065 8.350 1.00 0.00 S ATOM 0 H CYS A 93 1.317 -7.844 9.068 1.00 0.00 H new ATOM 0 HA CYS A 93 -0.521 -8.494 6.893 1.00 0.00 H new ATOM 0 HB2 CYS A 93 -0.935 -8.775 9.436 1.00 0.00 H new ATOM 0 HB3 CYS A 93 -1.108 -7.031 9.482 1.00 0.00 H new ATOM 0 HG CYS A 93 -3.690 -8.168 9.411 1.00 0.00 H new ATOM 1468 N VAL A 94 0.607 -6.066 6.173 1.00 0.00 N ATOM 1469 CA VAL A 94 0.645 -4.756 5.535 1.00 0.00 C ATOM 1470 C VAL A 94 -0.761 -4.205 5.325 1.00 0.00 C ATOM 1471 O VAL A 94 -1.627 -4.880 4.767 1.00 0.00 O ATOM 1472 CB VAL A 94 1.368 -4.815 4.176 1.00 0.00 C ATOM 1473 CG1 VAL A 94 0.819 -5.952 3.327 1.00 0.00 C ATOM 1474 CG2 VAL A 94 1.243 -3.485 3.447 1.00 0.00 C ATOM 0 H VAL A 94 1.339 -6.706 5.866 1.00 0.00 H new ATOM 0 HA VAL A 94 1.195 -4.095 6.204 1.00 0.00 H new ATOM 0 HB VAL A 94 2.426 -5.006 4.356 1.00 0.00 H new ATOM 0 HG11 VAL A 94 1.342 -5.978 2.371 1.00 0.00 H new ATOM 0 HG12 VAL A 94 0.967 -6.899 3.847 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -0.246 -5.796 3.154 1.00 0.00 H new ATOM 0 HG21 VAL A 94 1.760 -3.545 2.489 1.00 0.00 H new ATOM 0 HG22 VAL A 94 0.190 -3.260 3.278 1.00 0.00 H new ATOM 0 HG23 VAL A 94 1.690 -2.695 4.051 1.00 0.00 H new ATOM 1484 N LYS A 95 -0.982 -2.976 5.777 1.00 0.00 N ATOM 1485 CA LYS A 95 -2.283 -2.331 5.639 1.00 0.00 C ATOM 1486 C LYS A 95 -2.443 -1.722 4.250 1.00 0.00 C ATOM 1487 O LYS A 95 -1.697 -0.820 3.866 1.00 0.00 O ATOM 1488 CB LYS A 95 -2.455 -1.248 6.705 1.00 0.00 C ATOM 1489 CG LYS A 95 -3.759 -1.356 7.476 1.00 0.00 C ATOM 1490 CD LYS A 95 -3.537 -1.908 8.875 1.00 0.00 C ATOM 1491 CE LYS A 95 -3.837 -3.398 8.939 1.00 0.00 C ATOM 1492 NZ LYS A 95 -2.762 -4.151 9.643 1.00 0.00 N ATOM 0 H LYS A 95 -0.276 -2.405 6.243 1.00 0.00 H new ATOM 0 HA LYS A 95 -3.053 -3.090 5.775 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -1.622 -1.304 7.406 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -2.404 -0.269 6.228 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -4.226 -0.373 7.542 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -4.450 -2.002 6.935 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -2.505 -1.730 9.178 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -4.174 -1.377 9.582 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -4.786 -3.556 9.451 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -3.952 -3.789 7.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -3.190 -4.860 10.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -2.157 -4.628 8.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -2.187 -3.491 10.205 1.00 0.00 H new ATOM 1506 N VAL A 96 -3.421 -2.218 3.499 1.00 0.00 N ATOM 1507 CA VAL A 96 -3.680 -1.720 2.153 1.00 0.00 C ATOM 1508 C VAL A 96 -5.022 -0.998 2.084 1.00 0.00 C ATOM 1509 O VAL A 96 -6.077 -1.609 2.256 1.00 0.00 O ATOM 1510 CB VAL A 96 -3.671 -2.863 1.121 1.00 0.00 C ATOM 1511 CG1 VAL A 96 -4.719 -3.908 1.470 1.00 0.00 C ATOM 1512 CG2 VAL A 96 -3.898 -2.315 -0.281 1.00 0.00 C ATOM 0 H VAL A 96 -4.047 -2.965 3.800 1.00 0.00 H new ATOM 0 HA VAL A 96 -2.880 -1.019 1.915 1.00 0.00 H new ATOM 0 HB VAL A 96 -2.693 -3.344 1.146 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -4.697 -4.707 0.729 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -4.506 -4.321 2.456 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -5.706 -3.446 1.476 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -3.889 -3.136 -0.998 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -4.862 -1.808 -0.322 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -3.106 -1.608 -0.528 1.00 0.00 H new ATOM 1522 N ASP A 97 -4.973 0.305 1.831 1.00 0.00 N ATOM 1523 CA ASP A 97 -6.185 1.111 1.736 1.00 0.00 C ATOM 1524 C ASP A 97 -6.110 2.067 0.550 1.00 0.00 C ATOM 1525 O ASP A 97 -5.027 2.500 0.154 1.00 0.00 O ATOM 1526 CB ASP A 97 -6.401 1.899 3.029 1.00 0.00 C ATOM 1527 CG ASP A 97 -5.158 2.654 3.461 1.00 0.00 C ATOM 1528 OD1 ASP A 97 -4.089 2.019 3.580 1.00 0.00 O ATOM 1529 OD2 ASP A 97 -5.255 3.880 3.680 1.00 0.00 O ATOM 0 H ASP A 97 -4.108 0.826 1.688 1.00 0.00 H new ATOM 0 HA ASP A 97 -7.029 0.438 1.584 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -7.221 2.604 2.889 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -6.701 1.215 3.822 1.00 0.00 H new ATOM 1534 N LEU A 98 -7.268 2.391 -0.015 1.00 0.00 N ATOM 1535 CA LEU A 98 -7.335 3.295 -1.158 1.00 0.00 C ATOM 1536 C LEU A 98 -7.233 4.750 -0.708 1.00 0.00 C ATOM 1537 O LEU A 98 -7.997 5.201 0.144 1.00 0.00 O ATOM 1538 CB LEU A 98 -8.638 3.078 -1.930 1.00 0.00 C ATOM 1539 CG LEU A 98 -8.494 2.827 -3.431 1.00 0.00 C ATOM 1540 CD1 LEU A 98 -9.129 1.498 -3.813 1.00 0.00 C ATOM 1541 CD2 LEU A 98 -9.118 3.965 -4.225 1.00 0.00 C ATOM 0 H LEU A 98 -8.173 2.041 0.300 1.00 0.00 H new ATOM 0 HA LEU A 98 -6.492 3.076 -1.813 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -9.162 2.230 -1.489 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -9.272 3.953 -1.787 1.00 0.00 H new ATOM 0 HG LEU A 98 -7.432 2.782 -3.672 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -9.017 1.336 -4.885 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -8.637 0.691 -3.271 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -10.188 1.514 -3.557 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -9.006 3.769 -5.291 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -10.177 4.042 -3.980 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -8.619 4.901 -3.974 1.00 0.00 H new ATOM 1553 N SER A 99 -6.285 5.479 -1.290 1.00 0.00 N ATOM 1554 CA SER A 99 -6.082 6.882 -0.949 1.00 0.00 C ATOM 1555 C SER A 99 -6.808 7.791 -1.934 1.00 0.00 C ATOM 1556 O SER A 99 -7.265 7.345 -2.986 1.00 0.00 O ATOM 1557 CB SER A 99 -4.589 7.214 -0.934 1.00 0.00 C ATOM 1558 OG SER A 99 -4.368 8.551 -0.519 1.00 0.00 O ATOM 0 H SER A 99 -5.646 5.121 -2.000 1.00 0.00 H new ATOM 0 HA SER A 99 -6.494 7.052 0.046 1.00 0.00 H new ATOM 0 HB2 SER A 99 -4.068 6.531 -0.263 1.00 0.00 H new ATOM 0 HB3 SER A 99 -4.170 7.065 -1.929 1.00 0.00 H new ATOM 0 HG SER A 99 -3.406 8.738 -0.516 1.00 0.00 H new ATOM 1564 N GLU A 100 -6.911 9.070 -1.585 1.00 0.00 N ATOM 1565 CA GLU A 100 -7.582 10.043 -2.438 1.00 0.00 C ATOM 1566 C GLU A 100 -6.713 11.282 -2.640 1.00 0.00 C ATOM 1567 O GLU A 100 -6.748 11.914 -3.696 1.00 0.00 O ATOM 1568 CB GLU A 100 -8.928 10.444 -1.832 1.00 0.00 C ATOM 1569 CG GLU A 100 -8.820 10.996 -0.421 1.00 0.00 C ATOM 1570 CD GLU A 100 -10.145 10.977 0.316 1.00 0.00 C ATOM 1571 OE1 GLU A 100 -11.152 11.438 -0.260 1.00 0.00 O ATOM 1572 OE2 GLU A 100 -10.174 10.503 1.472 1.00 0.00 O ATOM 0 H GLU A 100 -6.538 9.456 -0.717 1.00 0.00 H new ATOM 0 HA GLU A 100 -7.753 9.579 -3.409 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -9.396 11.193 -2.471 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -9.586 9.575 -1.824 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -8.089 10.412 0.138 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -8.446 12.019 -0.463 1.00 0.00 H new ATOM 1579 N LYS A 101 -5.935 11.623 -1.619 1.00 0.00 N ATOM 1580 CA LYS A 101 -5.056 12.785 -1.680 1.00 0.00 C ATOM 1581 C LYS A 101 -4.330 12.847 -3.021 1.00 0.00 C ATOM 1582 O LYS A 101 -4.567 13.748 -3.826 1.00 0.00 O ATOM 1583 CB LYS A 101 -4.038 12.741 -0.539 1.00 0.00 C ATOM 1584 CG LYS A 101 -3.434 14.096 -0.212 1.00 0.00 C ATOM 1585 CD LYS A 101 -3.906 14.605 1.140 1.00 0.00 C ATOM 1586 CE LYS A 101 -3.948 16.125 1.180 1.00 0.00 C ATOM 1587 NZ LYS A 101 -2.845 16.689 2.006 1.00 0.00 N ATOM 0 H LYS A 101 -5.895 11.111 -0.738 1.00 0.00 H new ATOM 0 HA LYS A 101 -5.670 13.680 -1.576 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -4.521 12.343 0.353 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -3.238 12.050 -0.803 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -2.347 14.021 -0.214 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -3.705 14.813 -0.987 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -4.898 14.207 1.354 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -3.240 14.238 1.921 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -3.879 16.517 0.165 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -4.907 16.451 1.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -2.909 17.727 2.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -2.925 16.335 2.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -1.929 16.399 1.607 1.00 0.00 H new ATOM 1601 N TYR A 102 -3.447 11.883 -3.255 1.00 0.00 N ATOM 1602 CA TYR A 102 -2.686 11.828 -4.498 1.00 0.00 C ATOM 1603 C TYR A 102 -3.496 11.156 -5.603 1.00 0.00 C ATOM 1604 O TYR A 102 -3.645 9.934 -5.625 1.00 0.00 O ATOM 1605 CB TYR A 102 -1.372 11.075 -4.284 1.00 0.00 C ATOM 1606 CG TYR A 102 -0.605 11.533 -3.063 1.00 0.00 C ATOM 1607 CD1 TYR A 102 -0.739 12.828 -2.579 1.00 0.00 C ATOM 1608 CD2 TYR A 102 0.255 10.669 -2.395 1.00 0.00 C ATOM 1609 CE1 TYR A 102 -0.039 13.250 -1.465 1.00 0.00 C ATOM 1610 CE2 TYR A 102 0.958 11.082 -1.281 1.00 0.00 C ATOM 1611 CZ TYR A 102 0.808 12.374 -0.820 1.00 0.00 C ATOM 1612 OH TYR A 102 1.506 12.790 0.291 1.00 0.00 O ATOM 0 H TYR A 102 -3.240 11.129 -2.600 1.00 0.00 H new ATOM 0 HA TYR A 102 -2.465 12.850 -4.804 1.00 0.00 H new ATOM 0 HB2 TYR A 102 -1.584 10.010 -4.191 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -0.743 11.200 -5.166 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -1.402 13.517 -3.082 1.00 0.00 H new ATOM 0 HD2 TYR A 102 0.375 9.657 -2.754 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -0.155 14.260 -1.102 1.00 0.00 H new ATOM 0 HE2 TYR A 102 1.622 10.398 -0.773 1.00 0.00 H new ATOM 0 HH TYR A 102 2.057 12.052 0.627 1.00 0.00 H new ATOM 1622 N LYS A 103 -4.016 11.965 -6.521 1.00 0.00 N ATOM 1623 CA LYS A 103 -4.809 11.451 -7.631 1.00 0.00 C ATOM 1624 C LYS A 103 -4.000 10.466 -8.468 1.00 0.00 C ATOM 1625 O LYS A 103 -4.560 9.666 -9.219 1.00 0.00 O ATOM 1626 CB LYS A 103 -5.297 12.604 -8.512 1.00 0.00 C ATOM 1627 CG LYS A 103 -6.695 13.085 -8.165 1.00 0.00 C ATOM 1628 CD LYS A 103 -7.337 13.819 -9.331 1.00 0.00 C ATOM 1629 CE LYS A 103 -7.421 15.315 -9.070 1.00 0.00 C ATOM 1630 NZ LYS A 103 -8.750 15.709 -8.526 1.00 0.00 N ATOM 0 H LYS A 103 -3.902 12.979 -6.518 1.00 0.00 H new ATOM 0 HA LYS A 103 -5.671 10.927 -7.217 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -4.602 13.439 -8.422 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -5.280 12.286 -9.554 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -7.315 12.233 -7.884 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -6.649 13.745 -7.299 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -6.760 13.639 -10.238 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -8.337 13.422 -9.506 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -6.640 15.605 -8.367 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -7.233 15.857 -9.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -8.767 16.736 -8.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -9.493 15.455 -9.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -8.919 15.212 -7.628 1.00 0.00 H new ATOM 1644 N LYS A 104 -2.679 10.527 -8.334 1.00 0.00 N ATOM 1645 CA LYS A 104 -1.792 9.638 -9.075 1.00 0.00 C ATOM 1646 C LYS A 104 -0.338 9.857 -8.667 1.00 0.00 C ATOM 1647 O LYS A 104 -0.006 10.857 -8.030 1.00 0.00 O ATOM 1648 CB LYS A 104 -1.950 9.865 -10.580 1.00 0.00 C ATOM 1649 CG LYS A 104 -1.317 11.155 -11.071 1.00 0.00 C ATOM 1650 CD LYS A 104 -0.602 10.957 -12.397 1.00 0.00 C ATOM 1651 CE LYS A 104 0.423 9.836 -12.314 1.00 0.00 C ATOM 1652 NZ LYS A 104 0.048 8.677 -13.172 1.00 0.00 N ATOM 0 H LYS A 104 -2.199 11.184 -7.718 1.00 0.00 H new ATOM 0 HA LYS A 104 -2.067 8.610 -8.838 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -1.505 9.026 -11.114 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -3.011 9.874 -10.828 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -2.086 11.919 -11.182 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -0.610 11.520 -10.326 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -1.331 10.728 -13.174 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -0.107 11.884 -12.687 1.00 0.00 H new ATOM 0 HE2 LYS A 104 1.399 10.213 -12.619 1.00 0.00 H new ATOM 0 HE3 LYS A 104 0.518 9.506 -11.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 0.055 7.807 -12.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -0.904 8.828 -13.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 0.731 8.586 -13.951 1.00 0.00 H new ATOM 1666 N LEU A 105 0.524 8.918 -9.041 1.00 0.00 N ATOM 1667 CA LEU A 105 1.943 9.009 -8.715 1.00 0.00 C ATOM 1668 C LEU A 105 2.674 9.900 -9.714 1.00 0.00 C ATOM 1669 O LEU A 105 2.832 9.545 -10.881 1.00 0.00 O ATOM 1670 CB LEU A 105 2.573 7.615 -8.702 1.00 0.00 C ATOM 1671 CG LEU A 105 2.067 6.659 -7.620 1.00 0.00 C ATOM 1672 CD1 LEU A 105 2.935 5.413 -7.560 1.00 0.00 C ATOM 1673 CD2 LEU A 105 2.034 7.355 -6.267 1.00 0.00 C ATOM 0 H LEU A 105 0.265 8.085 -9.570 1.00 0.00 H new ATOM 0 HA LEU A 105 2.036 9.453 -7.724 1.00 0.00 H new ATOM 0 HB2 LEU A 105 2.404 7.153 -9.675 1.00 0.00 H new ATOM 0 HB3 LEU A 105 3.651 7.726 -8.585 1.00 0.00 H new ATOM 0 HG LEU A 105 1.051 6.356 -7.875 1.00 0.00 H new ATOM 0 HD11 LEU A 105 2.560 4.745 -6.785 1.00 0.00 H new ATOM 0 HD12 LEU A 105 2.907 4.903 -8.523 1.00 0.00 H new ATOM 0 HD13 LEU A 105 3.962 5.696 -7.329 1.00 0.00 H new ATOM 0 HD21 LEU A 105 1.672 6.660 -5.509 1.00 0.00 H new ATOM 0 HD22 LEU A 105 3.038 7.687 -6.004 1.00 0.00 H new ATOM 0 HD23 LEU A 105 1.368 8.217 -6.317 1.00 0.00 H new ATOM 1685 N VAL A 106 3.121 11.062 -9.245 1.00 0.00 N ATOM 1686 CA VAL A 106 3.840 12.003 -10.095 1.00 0.00 C ATOM 1687 C VAL A 106 2.939 12.544 -11.200 1.00 0.00 C ATOM 1688 O VAL A 106 2.804 11.933 -12.260 1.00 0.00 O ATOM 1689 CB VAL A 106 5.080 11.351 -10.734 1.00 0.00 C ATOM 1690 CG1 VAL A 106 5.800 12.340 -11.637 1.00 0.00 C ATOM 1691 CG2 VAL A 106 6.016 10.819 -9.658 1.00 0.00 C ATOM 0 H VAL A 106 2.997 11.373 -8.282 1.00 0.00 H new ATOM 0 HA VAL A 106 4.161 12.825 -9.455 1.00 0.00 H new ATOM 0 HB VAL A 106 4.752 10.511 -11.346 1.00 0.00 H new ATOM 0 HG11 VAL A 106 6.673 11.860 -12.079 1.00 0.00 H new ATOM 0 HG12 VAL A 106 5.126 12.667 -12.429 1.00 0.00 H new ATOM 0 HG13 VAL A 106 6.118 13.203 -11.051 1.00 0.00 H new ATOM 0 HG21 VAL A 106 6.887 10.362 -10.127 1.00 0.00 H new ATOM 0 HG22 VAL A 106 6.338 11.640 -9.018 1.00 0.00 H new ATOM 0 HG23 VAL A 106 5.494 10.074 -9.058 1.00 0.00 H new ATOM 1701 N SER A 107 2.323 13.694 -10.944 1.00 0.00 N ATOM 1702 CA SER A 107 1.430 14.317 -11.915 1.00 0.00 C ATOM 1703 C SER A 107 2.127 14.487 -13.261 1.00 0.00 C ATOM 1704 O SER A 107 3.328 14.747 -13.323 1.00 0.00 O ATOM 1705 CB SER A 107 0.951 15.675 -11.400 1.00 0.00 C ATOM 1706 OG SER A 107 -0.277 15.552 -10.703 1.00 0.00 O ATOM 0 H SER A 107 2.426 14.213 -10.072 1.00 0.00 H new ATOM 0 HA SER A 107 0.568 13.664 -12.052 1.00 0.00 H new ATOM 0 HB2 SER A 107 1.706 16.104 -10.741 1.00 0.00 H new ATOM 0 HB3 SER A 107 0.830 16.363 -12.237 1.00 0.00 H new ATOM 0 HG SER A 107 -0.561 16.433 -10.382 1.00 0.00 H new ATOM 1712 N GLY A 108 1.363 14.338 -14.339 1.00 0.00 N ATOM 1713 CA GLY A 108 1.923 14.478 -15.671 1.00 0.00 C ATOM 1714 C GLY A 108 0.864 14.753 -16.719 1.00 0.00 C ATOM 1715 O GLY A 108 -0.258 15.154 -16.408 1.00 0.00 O ATOM 0 H GLY A 108 0.366 14.123 -14.314 1.00 0.00 H new ATOM 0 HA2 GLY A 108 2.651 15.290 -15.672 1.00 0.00 H new ATOM 0 HA3 GLY A 108 2.461 13.567 -15.933 1.00 0.00 H new ATOM 1719 N PRO A 109 1.218 14.538 -17.995 1.00 0.00 N ATOM 1720 CA PRO A 109 0.304 14.761 -19.119 1.00 0.00 C ATOM 1721 C PRO A 109 -0.827 13.737 -19.157 1.00 0.00 C ATOM 1722 O PRO A 109 -0.631 12.570 -18.823 1.00 0.00 O ATOM 1723 CB PRO A 109 1.206 14.607 -20.345 1.00 0.00 C ATOM 1724 CG PRO A 109 2.321 13.731 -19.889 1.00 0.00 C ATOM 1725 CD PRO A 109 2.539 14.060 -18.439 1.00 0.00 C ATOM 0 HA PRO A 109 -0.191 15.730 -19.057 1.00 0.00 H new ATOM 0 HB2 PRO A 109 0.666 14.159 -21.179 1.00 0.00 H new ATOM 0 HB3 PRO A 109 1.577 15.573 -20.687 1.00 0.00 H new ATOM 0 HG2 PRO A 109 2.068 12.679 -20.017 1.00 0.00 H new ATOM 0 HG3 PRO A 109 3.224 13.914 -20.471 1.00 0.00 H new ATOM 0 HD2 PRO A 109 2.861 13.186 -17.873 1.00 0.00 H new ATOM 0 HD3 PRO A 109 3.306 14.823 -18.311 1.00 0.00 H new ATOM 1733 N SER A 110 -2.010 14.185 -19.568 1.00 0.00 N ATOM 1734 CA SER A 110 -3.172 13.309 -19.647 1.00 0.00 C ATOM 1735 C SER A 110 -4.103 13.743 -20.774 1.00 0.00 C ATOM 1736 O SER A 110 -4.432 12.956 -21.661 1.00 0.00 O ATOM 1737 CB SER A 110 -3.928 13.307 -18.317 1.00 0.00 C ATOM 1738 OG SER A 110 -3.792 12.063 -17.654 1.00 0.00 O ATOM 0 H SER A 110 -2.188 15.149 -19.851 1.00 0.00 H new ATOM 0 HA SER A 110 -2.821 12.299 -19.858 1.00 0.00 H new ATOM 0 HB2 SER A 110 -3.550 14.106 -17.679 1.00 0.00 H new ATOM 0 HB3 SER A 110 -4.983 13.514 -18.495 1.00 0.00 H new ATOM 0 HG SER A 110 -4.283 12.089 -16.806 1.00 0.00 H new ATOM 1744 N SER A 111 -4.527 15.003 -20.731 1.00 0.00 N ATOM 1745 CA SER A 111 -5.424 15.542 -21.746 1.00 0.00 C ATOM 1746 C SER A 111 -4.847 15.340 -23.144 1.00 0.00 C ATOM 1747 O SER A 111 -3.635 15.215 -23.316 1.00 0.00 O ATOM 1748 CB SER A 111 -5.674 17.030 -21.497 1.00 0.00 C ATOM 1749 OG SER A 111 -6.509 17.583 -22.499 1.00 0.00 O ATOM 0 H SER A 111 -4.264 15.669 -20.004 1.00 0.00 H new ATOM 0 HA SER A 111 -6.370 15.005 -21.681 1.00 0.00 H new ATOM 0 HB2 SER A 111 -6.136 17.165 -20.519 1.00 0.00 H new ATOM 0 HB3 SER A 111 -4.723 17.563 -21.477 1.00 0.00 H new ATOM 0 HG SER A 111 -6.654 18.535 -22.315 1.00 0.00 H new ATOM 1755 N GLY A 112 -5.725 15.310 -24.142 1.00 0.00 N ATOM 1756 CA GLY A 112 -5.286 15.123 -25.512 1.00 0.00 C ATOM 1757 C GLY A 112 -5.233 16.425 -26.287 1.00 0.00 C ATOM 1758 O GLY A 112 -4.205 17.101 -26.310 1.00 0.00 O ATOM 0 H GLY A 112 -6.733 15.412 -24.026 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -4.298 14.662 -25.514 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -5.961 14.431 -26.015 1.00 0.00 H new TER 1762 GLY A 112