USER MOD reduce.3.24.130724 H: found=0, std=0, add=780, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 780 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 7 HIS : no HD1:sc= 0 X(o=-0.021,f=-0.021) USER MOD Set 1.2: A 8 HIS : no HD1:sc= -0.0209 X(o=-0.021,f=-0.021) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -125:sc= 0.0522 (180deg=-0.0595) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 9 HIS : no HE2:sc= -0.0771 K(o=-0.077,f=-0.76) USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -0.15 X(o=-0.15,f=0) USER MOD Single : A 22 HIS : no HD1:sc= -0.0182 X(o=-0.018,f=0) USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 MET CE :methyl -159:sc= -0.0704 (180deg=-0.537) USER MOD Single : A 30 HIS : no HD1:sc= 0.268 K(o=0.27,f=-1.4) USER MOD Single : A 33 THR OG1 : rot 68:sc= 0.17 USER MOD Single : A 36 SER OG : rot 20:sc= 0.717 USER MOD Single : A 39 SER OG : rot 90:sc= 0.179 USER MOD Single : A 43 LYS NZ :NH3+ 175:sc= 0.548 (180deg=0.464) USER MOD Single : A 47 SER OG : rot -32:sc= 0.367 USER MOD Single : A 50 SER OG : rot 70:sc= -1.08 USER MOD Single : A 52 MET CE :methyl -138:sc= -0.076 (180deg=-2.77!) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 71:sc= 0.365 USER MOD Single : A 66 SER OG : rot 4:sc= 0.143 USER MOD Single : A 68 LYS NZ :NH3+ -156:sc= 1.01 (180deg=0.621) USER MOD Single : A 71 LYS NZ :NH3+ 130:sc= -0.76 (180deg=-1.48) USER MOD Single : A 76 THR OG1 : rot 180:sc= -0.164 USER MOD Single : A 87 THR OG1 : rot 141:sc= 0.207 USER MOD Single : A 93 GLN : amide:sc= 0.167 X(o=0.17,f=0) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 HIS : no HD1:sc= -0.501 X(o=-0.5,f=-0.34) USER MOD Single : A 103 SER OG : rot 96:sc= 0.228 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -19.506 -36.873 -22.650 1.00 0.00 N ATOM 2 CA MET A 1 -18.634 -37.759 -23.449 1.00 0.00 C ATOM 3 C MET A 1 -17.328 -38.021 -22.687 1.00 0.00 C ATOM 4 O MET A 1 -16.946 -37.228 -21.823 1.00 0.00 O ATOM 5 CB MET A 1 -18.333 -37.121 -24.833 1.00 0.00 C ATOM 6 CG MET A 1 -19.570 -36.861 -25.710 1.00 0.00 C ATOM 7 SD MET A 1 -19.136 -36.140 -27.310 1.00 0.00 S ATOM 8 CE MET A 1 -20.752 -35.890 -28.053 1.00 0.00 C ATOM 0 H1 MET A 1 -20.433 -37.325 -22.518 1.00 0.00 H new ATOM 0 H2 MET A 1 -19.069 -36.701 -21.722 1.00 0.00 H new ATOM 0 H3 MET A 1 -19.630 -35.968 -23.147 1.00 0.00 H new ATOM 0 HA MET A 1 -19.147 -38.706 -23.614 1.00 0.00 H new ATOM 0 HB2 MET A 1 -17.812 -36.176 -24.676 1.00 0.00 H new ATOM 0 HB3 MET A 1 -17.651 -37.774 -25.377 1.00 0.00 H new ATOM 0 HG2 MET A 1 -20.104 -37.798 -25.869 1.00 0.00 H new ATOM 0 HG3 MET A 1 -20.251 -36.191 -25.185 1.00 0.00 H new ATOM 0 HE1 MET A 1 -20.633 -35.451 -29.043 1.00 0.00 H new ATOM 0 HE2 MET A 1 -21.265 -36.848 -28.140 1.00 0.00 H new ATOM 0 HE3 MET A 1 -21.340 -35.219 -27.427 1.00 0.00 H new ATOM 20 N GLY A 2 -16.656 -39.129 -23.028 1.00 0.00 N ATOM 21 CA GLY A 2 -15.374 -39.490 -22.422 1.00 0.00 C ATOM 22 C GLY A 2 -15.477 -39.803 -20.932 1.00 0.00 C ATOM 23 O GLY A 2 -16.495 -40.339 -20.481 1.00 0.00 O ATOM 0 H GLY A 2 -16.986 -39.794 -23.727 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -14.966 -40.357 -22.941 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -14.669 -38.672 -22.566 1.00 0.00 H new ATOM 27 N SER A 3 -14.415 -39.452 -20.186 1.00 0.00 N ATOM 28 CA SER A 3 -14.298 -39.679 -18.733 1.00 0.00 C ATOM 29 C SER A 3 -13.035 -38.978 -18.191 1.00 0.00 C ATOM 30 O SER A 3 -12.212 -38.490 -18.977 1.00 0.00 O ATOM 31 CB SER A 3 -14.251 -41.202 -18.426 1.00 0.00 C ATOM 32 OG SER A 3 -13.237 -41.851 -19.189 1.00 0.00 O ATOM 0 H SER A 3 -13.596 -38.993 -20.584 1.00 0.00 H new ATOM 0 HA SER A 3 -15.172 -39.257 -18.238 1.00 0.00 H new ATOM 0 HB2 SER A 3 -14.064 -41.356 -17.363 1.00 0.00 H new ATOM 0 HB3 SER A 3 -15.219 -41.650 -18.648 1.00 0.00 H new ATOM 0 HG SER A 3 -13.228 -42.807 -18.975 1.00 0.00 H new ATOM 38 N SER A 4 -12.889 -38.926 -16.853 1.00 0.00 N ATOM 39 CA SER A 4 -11.667 -38.425 -16.207 1.00 0.00 C ATOM 40 C SER A 4 -10.540 -39.455 -16.387 1.00 0.00 C ATOM 41 O SER A 4 -9.508 -39.149 -16.993 1.00 0.00 O ATOM 42 CB SER A 4 -11.930 -38.152 -14.705 1.00 0.00 C ATOM 43 OG SER A 4 -13.008 -37.249 -14.534 1.00 0.00 O ATOM 0 H SER A 4 -13.610 -39.228 -16.197 1.00 0.00 H new ATOM 0 HA SER A 4 -11.366 -37.486 -16.672 1.00 0.00 H new ATOM 0 HB2 SER A 4 -12.152 -39.089 -14.195 1.00 0.00 H new ATOM 0 HB3 SER A 4 -11.031 -37.743 -14.243 1.00 0.00 H new ATOM 0 HG SER A 4 -13.156 -37.094 -13.578 1.00 0.00 H new ATOM 49 N HIS A 5 -10.806 -40.701 -15.911 1.00 0.00 N ATOM 50 CA HIS A 5 -9.836 -41.816 -15.866 1.00 0.00 C ATOM 51 C HIS A 5 -8.577 -41.384 -15.078 1.00 0.00 C ATOM 52 O HIS A 5 -7.539 -41.032 -15.657 1.00 0.00 O ATOM 53 CB HIS A 5 -9.503 -42.333 -17.302 1.00 0.00 C ATOM 54 CG HIS A 5 -8.702 -43.615 -17.360 1.00 0.00 C ATOM 55 ND1 HIS A 5 -9.285 -44.852 -17.529 1.00 0.00 N ATOM 56 CD2 HIS A 5 -7.367 -43.847 -17.270 1.00 0.00 C ATOM 57 CE1 HIS A 5 -8.353 -45.780 -17.534 1.00 0.00 C ATOM 58 NE2 HIS A 5 -7.181 -45.203 -17.380 1.00 0.00 N ATOM 0 H HIS A 5 -11.721 -40.958 -15.541 1.00 0.00 H new ATOM 0 HA HIS A 5 -10.281 -42.659 -15.338 1.00 0.00 H new ATOM 0 HB2 HIS A 5 -10.438 -42.484 -17.841 1.00 0.00 H new ATOM 0 HB3 HIS A 5 -8.952 -41.556 -17.831 1.00 0.00 H new ATOM 0 HD2 HIS A 5 -6.595 -43.103 -17.137 1.00 0.00 H new ATOM 0 HE1 HIS A 5 -8.522 -46.841 -17.646 1.00 0.00 H new ATOM 0 HE2 HIS A 5 -6.282 -45.684 -17.348 1.00 0.00 H new ATOM 67 N ASP A 6 -8.723 -41.338 -13.744 1.00 0.00 N ATOM 68 CA ASP A 6 -7.665 -40.874 -12.826 1.00 0.00 C ATOM 69 C ASP A 6 -6.737 -42.040 -12.435 1.00 0.00 C ATOM 70 O ASP A 6 -7.200 -43.180 -12.305 1.00 0.00 O ATOM 71 CB ASP A 6 -8.310 -40.232 -11.576 1.00 0.00 C ATOM 72 CG ASP A 6 -7.287 -39.626 -10.604 1.00 0.00 C ATOM 73 OD1 ASP A 6 -6.827 -38.487 -10.838 1.00 0.00 O ATOM 74 OD2 ASP A 6 -6.916 -40.291 -9.625 1.00 0.00 O ATOM 0 H ASP A 6 -9.580 -41.622 -13.268 1.00 0.00 H new ATOM 0 HA ASP A 6 -7.056 -40.123 -13.330 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -9.004 -39.453 -11.894 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -8.896 -40.986 -11.051 1.00 0.00 H new ATOM 79 N HIS A 7 -5.434 -41.740 -12.232 1.00 0.00 N ATOM 80 CA HIS A 7 -4.405 -42.764 -11.953 1.00 0.00 C ATOM 81 C HIS A 7 -4.554 -43.334 -10.528 1.00 0.00 C ATOM 82 O HIS A 7 -4.606 -44.556 -10.353 1.00 0.00 O ATOM 83 CB HIS A 7 -2.980 -42.182 -12.156 1.00 0.00 C ATOM 84 CG HIS A 7 -1.866 -43.200 -12.008 1.00 0.00 C ATOM 85 ND1 HIS A 7 -0.865 -43.115 -11.064 1.00 0.00 N ATOM 86 CD2 HIS A 7 -1.591 -44.320 -12.723 1.00 0.00 C ATOM 87 CE1 HIS A 7 -0.035 -44.133 -11.205 1.00 0.00 C ATOM 88 NE2 HIS A 7 -0.455 -44.873 -12.203 1.00 0.00 N ATOM 0 H HIS A 7 -5.069 -40.788 -12.257 1.00 0.00 H new ATOM 0 HA HIS A 7 -4.551 -43.580 -12.660 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -2.920 -41.736 -13.149 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -2.822 -41.379 -11.436 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -2.166 -44.705 -13.553 1.00 0.00 H new ATOM 0 HE1 HIS A 7 0.840 -44.323 -10.601 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -0.005 -45.725 -12.538 1.00 0.00 H new ATOM 97 N HIS A 8 -4.635 -42.445 -9.515 1.00 0.00 N ATOM 98 CA HIS A 8 -4.685 -42.849 -8.092 1.00 0.00 C ATOM 99 C HIS A 8 -5.377 -41.761 -7.246 1.00 0.00 C ATOM 100 O HIS A 8 -5.102 -40.568 -7.405 1.00 0.00 O ATOM 101 CB HIS A 8 -3.252 -43.134 -7.539 1.00 0.00 C ATOM 102 CG HIS A 8 -2.395 -41.902 -7.338 1.00 0.00 C ATOM 103 ND1 HIS A 8 -2.155 -41.359 -6.096 1.00 0.00 N ATOM 104 CD2 HIS A 8 -1.740 -41.108 -8.220 1.00 0.00 C ATOM 105 CE1 HIS A 8 -1.399 -40.291 -6.219 1.00 0.00 C ATOM 106 NE2 HIS A 8 -1.131 -40.117 -7.498 1.00 0.00 N ATOM 0 H HIS A 8 -4.667 -41.436 -9.658 1.00 0.00 H new ATOM 0 HA HIS A 8 -5.266 -43.769 -8.024 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -3.342 -43.657 -6.587 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -2.740 -43.808 -8.225 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -1.705 -41.234 -9.292 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -1.056 -39.663 -5.410 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -0.562 -39.365 -7.887 1.00 0.00 H new ATOM 115 N HIS A 9 -6.292 -42.179 -6.373 1.00 0.00 N ATOM 116 CA HIS A 9 -6.920 -41.291 -5.382 1.00 0.00 C ATOM 117 C HIS A 9 -5.973 -41.142 -4.172 1.00 0.00 C ATOM 118 O HIS A 9 -5.212 -42.071 -3.861 1.00 0.00 O ATOM 119 CB HIS A 9 -8.289 -41.882 -4.961 1.00 0.00 C ATOM 120 CG HIS A 9 -9.126 -40.981 -4.077 1.00 0.00 C ATOM 121 ND1 HIS A 9 -9.143 -41.071 -2.702 1.00 0.00 N ATOM 122 CD2 HIS A 9 -9.999 -39.985 -4.388 1.00 0.00 C ATOM 123 CE1 HIS A 9 -9.980 -40.182 -2.213 1.00 0.00 C ATOM 124 NE2 HIS A 9 -10.513 -39.512 -3.211 1.00 0.00 N ATOM 0 H HIS A 9 -6.623 -43.143 -6.329 1.00 0.00 H new ATOM 0 HA HIS A 9 -7.094 -40.303 -5.807 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -8.859 -42.117 -5.860 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -8.117 -42.823 -4.438 1.00 0.00 H new ATOM 0 HD1 HIS A 9 -8.591 -41.726 -2.148 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -10.241 -39.633 -5.380 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -10.194 -40.028 -1.166 1.00 0.00 H new ATOM 133 N HIS A 10 -5.998 -39.965 -3.515 1.00 0.00 N ATOM 134 CA HIS A 10 -5.156 -39.701 -2.325 1.00 0.00 C ATOM 135 C HIS A 10 -5.696 -40.468 -1.105 1.00 0.00 C ATOM 136 O HIS A 10 -6.911 -40.667 -0.984 1.00 0.00 O ATOM 137 CB HIS A 10 -5.095 -38.191 -1.992 1.00 0.00 C ATOM 138 CG HIS A 10 -4.587 -37.314 -3.106 1.00 0.00 C ATOM 139 ND1 HIS A 10 -5.194 -36.127 -3.462 1.00 0.00 N ATOM 140 CD2 HIS A 10 -3.522 -37.445 -3.935 1.00 0.00 C ATOM 141 CE1 HIS A 10 -4.531 -35.575 -4.454 1.00 0.00 C ATOM 142 NE2 HIS A 10 -3.514 -36.353 -4.762 1.00 0.00 N ATOM 0 H HIS A 10 -6.591 -39.181 -3.786 1.00 0.00 H new ATOM 0 HA HIS A 10 -4.148 -40.044 -2.559 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -6.094 -37.855 -1.712 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -4.456 -38.052 -1.120 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -2.812 -38.259 -3.942 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -4.779 -34.641 -4.935 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -2.831 -36.172 -5.497 1.00 0.00 H new ATOM 151 N SER A 11 -4.788 -40.874 -0.207 1.00 0.00 N ATOM 152 CA SER A 11 -5.138 -41.615 1.011 1.00 0.00 C ATOM 153 C SER A 11 -5.963 -40.712 1.962 1.00 0.00 C ATOM 154 O SER A 11 -7.045 -41.099 2.412 1.00 0.00 O ATOM 155 CB SER A 11 -3.849 -42.133 1.691 1.00 0.00 C ATOM 156 OG SER A 11 -4.139 -42.983 2.783 1.00 0.00 O ATOM 0 H SER A 11 -3.788 -40.697 -0.306 1.00 0.00 H new ATOM 0 HA SER A 11 -5.755 -42.476 0.755 1.00 0.00 H new ATOM 0 HB2 SER A 11 -3.244 -42.671 0.962 1.00 0.00 H new ATOM 0 HB3 SER A 11 -3.255 -41.287 2.036 1.00 0.00 H new ATOM 0 HG SER A 11 -3.302 -43.293 3.188 1.00 0.00 H new ATOM 162 N SER A 12 -5.445 -39.491 2.219 1.00 0.00 N ATOM 163 CA SER A 12 -6.131 -38.444 3.007 1.00 0.00 C ATOM 164 C SER A 12 -5.652 -37.051 2.555 1.00 0.00 C ATOM 165 O SER A 12 -6.420 -36.294 1.948 1.00 0.00 O ATOM 166 CB SER A 12 -5.903 -38.630 4.530 1.00 0.00 C ATOM 167 OG SER A 12 -6.410 -39.872 4.988 1.00 0.00 O ATOM 0 H SER A 12 -4.527 -39.201 1.881 1.00 0.00 H new ATOM 0 HA SER A 12 -7.202 -38.533 2.826 1.00 0.00 H new ATOM 0 HB2 SER A 12 -4.837 -38.569 4.748 1.00 0.00 H new ATOM 0 HB3 SER A 12 -6.386 -37.817 5.072 1.00 0.00 H new ATOM 0 HG SER A 12 -6.248 -39.956 5.951 1.00 0.00 H new ATOM 173 N GLY A 13 -4.365 -36.742 2.824 1.00 0.00 N ATOM 174 CA GLY A 13 -3.800 -35.420 2.532 1.00 0.00 C ATOM 175 C GLY A 13 -4.276 -34.353 3.519 1.00 0.00 C ATOM 176 O GLY A 13 -4.929 -33.377 3.131 1.00 0.00 O ATOM 0 H GLY A 13 -3.703 -37.395 3.243 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -2.712 -35.478 2.561 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -4.077 -35.125 1.520 1.00 0.00 H new ATOM 180 N ARG A 14 -3.958 -34.571 4.809 1.00 0.00 N ATOM 181 CA ARG A 14 -4.360 -33.679 5.917 1.00 0.00 C ATOM 182 C ARG A 14 -3.509 -32.398 5.928 1.00 0.00 C ATOM 183 O ARG A 14 -4.013 -31.311 6.236 1.00 0.00 O ATOM 184 CB ARG A 14 -4.227 -34.422 7.276 1.00 0.00 C ATOM 185 CG ARG A 14 -4.622 -33.580 8.520 1.00 0.00 C ATOM 186 CD ARG A 14 -4.430 -34.336 9.841 1.00 0.00 C ATOM 187 NE ARG A 14 -5.346 -35.487 9.959 1.00 0.00 N ATOM 188 CZ ARG A 14 -5.132 -36.573 10.717 1.00 0.00 C ATOM 189 NH1 ARG A 14 -3.979 -36.753 11.345 1.00 0.00 N ATOM 190 NH2 ARG A 14 -6.070 -37.490 10.816 1.00 0.00 N ATOM 0 H ARG A 14 -3.411 -35.376 5.115 1.00 0.00 H new ATOM 0 HA ARG A 14 -5.401 -33.395 5.766 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -4.849 -35.316 7.248 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -3.196 -34.755 7.393 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -4.025 -32.668 8.539 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -5.665 -33.276 8.430 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -3.400 -34.684 9.913 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -4.595 -33.655 10.676 1.00 0.00 H new ATOM 0 HE ARG A 14 -6.212 -35.454 9.421 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -3.236 -36.060 11.256 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -3.834 -37.585 11.917 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -6.953 -37.373 10.318 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -5.915 -38.318 11.390 1.00 0.00 H new ATOM 204 N GLU A 15 -2.210 -32.539 5.599 1.00 0.00 N ATOM 205 CA GLU A 15 -1.273 -31.402 5.540 1.00 0.00 C ATOM 206 C GLU A 15 -1.605 -30.503 4.332 1.00 0.00 C ATOM 207 O GLU A 15 -1.884 -31.009 3.235 1.00 0.00 O ATOM 208 CB GLU A 15 0.203 -31.895 5.461 1.00 0.00 C ATOM 209 CG GLU A 15 1.270 -30.772 5.370 1.00 0.00 C ATOM 210 CD GLU A 15 1.335 -29.862 6.616 1.00 0.00 C ATOM 211 OE1 GLU A 15 0.522 -28.914 6.733 1.00 0.00 O ATOM 212 OE2 GLU A 15 2.200 -30.089 7.489 1.00 0.00 O ATOM 0 H GLU A 15 -1.784 -33.437 5.369 1.00 0.00 H new ATOM 0 HA GLU A 15 -1.384 -30.821 6.455 1.00 0.00 H new ATOM 0 HB2 GLU A 15 0.414 -32.504 6.340 1.00 0.00 H new ATOM 0 HB3 GLU A 15 0.307 -32.544 4.591 1.00 0.00 H new ATOM 0 HG2 GLU A 15 2.248 -31.227 5.214 1.00 0.00 H new ATOM 0 HG3 GLU A 15 1.061 -30.157 4.495 1.00 0.00 H new ATOM 219 N ASN A 16 -1.583 -29.182 4.567 1.00 0.00 N ATOM 220 CA ASN A 16 -1.804 -28.161 3.535 1.00 0.00 C ATOM 221 C ASN A 16 -0.583 -28.126 2.599 1.00 0.00 C ATOM 222 O ASN A 16 0.442 -27.518 2.943 1.00 0.00 O ATOM 223 CB ASN A 16 -2.043 -26.773 4.209 1.00 0.00 C ATOM 224 CG ASN A 16 -3.268 -26.744 5.136 1.00 0.00 C ATOM 225 OD1 ASN A 16 -4.262 -27.426 4.892 1.00 0.00 O ATOM 226 ND2 ASN A 16 -3.196 -25.965 6.210 1.00 0.00 N ATOM 0 H ASN A 16 -1.409 -28.789 5.492 1.00 0.00 H new ATOM 0 HA ASN A 16 -2.689 -28.403 2.946 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -1.157 -26.499 4.782 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -2.167 -26.018 3.433 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -3.980 -25.920 6.861 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -2.357 -25.412 6.383 1.00 0.00 H new ATOM 233 N LEU A 17 -0.699 -28.837 1.448 1.00 0.00 N ATOM 234 CA LEU A 17 0.416 -29.062 0.496 1.00 0.00 C ATOM 235 C LEU A 17 1.532 -29.889 1.200 1.00 0.00 C ATOM 236 O LEU A 17 1.238 -30.675 2.114 1.00 0.00 O ATOM 237 CB LEU A 17 0.953 -27.705 -0.106 1.00 0.00 C ATOM 238 CG LEU A 17 0.043 -26.965 -1.152 1.00 0.00 C ATOM 239 CD1 LEU A 17 -1.320 -26.516 -0.558 1.00 0.00 C ATOM 240 CD2 LEU A 17 0.796 -25.761 -1.769 1.00 0.00 C ATOM 0 H LEU A 17 -1.574 -29.272 1.154 1.00 0.00 H new ATOM 0 HA LEU A 17 0.051 -29.636 -0.356 1.00 0.00 H new ATOM 0 HB2 LEU A 17 1.140 -27.020 0.721 1.00 0.00 H new ATOM 0 HB3 LEU A 17 1.915 -27.904 -0.578 1.00 0.00 H new ATOM 0 HG LEU A 17 -0.184 -27.686 -1.938 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -1.904 -26.011 -1.328 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -1.867 -27.389 -0.202 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -1.147 -25.832 0.273 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.151 -25.260 -2.491 1.00 0.00 H new ATOM 0 HD22 LEU A 17 1.070 -25.061 -0.980 1.00 0.00 H new ATOM 0 HD23 LEU A 17 1.697 -26.114 -2.271 1.00 0.00 H new ATOM 252 N TYR A 18 2.790 -29.747 0.743 1.00 0.00 N ATOM 253 CA TYR A 18 3.970 -30.317 1.418 1.00 0.00 C ATOM 254 C TYR A 18 5.197 -29.483 1.031 1.00 0.00 C ATOM 255 O TYR A 18 5.870 -28.907 1.893 1.00 0.00 O ATOM 256 CB TYR A 18 4.165 -31.817 1.042 1.00 0.00 C ATOM 257 CG TYR A 18 5.208 -32.563 1.904 1.00 0.00 C ATOM 258 CD1 TYR A 18 4.835 -33.197 3.095 1.00 0.00 C ATOM 259 CD2 TYR A 18 6.562 -32.634 1.535 1.00 0.00 C ATOM 260 CE1 TYR A 18 5.762 -33.869 3.874 1.00 0.00 C ATOM 261 CE2 TYR A 18 7.484 -33.305 2.316 1.00 0.00 C ATOM 262 CZ TYR A 18 7.084 -33.919 3.476 1.00 0.00 C ATOM 263 OH TYR A 18 8.012 -34.580 4.246 1.00 0.00 O ATOM 0 H TYR A 18 3.017 -29.232 -0.108 1.00 0.00 H new ATOM 0 HA TYR A 18 3.828 -30.281 2.498 1.00 0.00 H new ATOM 0 HB2 TYR A 18 3.206 -32.328 1.131 1.00 0.00 H new ATOM 0 HB3 TYR A 18 4.465 -31.880 -0.004 1.00 0.00 H new ATOM 0 HD1 TYR A 18 3.803 -33.161 3.413 1.00 0.00 H new ATOM 0 HD2 TYR A 18 6.888 -32.155 0.624 1.00 0.00 H new ATOM 0 HE1 TYR A 18 5.453 -34.352 4.789 1.00 0.00 H new ATOM 0 HE2 TYR A 18 8.520 -33.346 2.013 1.00 0.00 H new ATOM 0 HH TYR A 18 8.893 -34.519 3.821 1.00 0.00 H new ATOM 273 N PHE A 19 5.460 -29.433 -0.287 1.00 0.00 N ATOM 274 CA PHE A 19 6.540 -28.634 -0.876 1.00 0.00 C ATOM 275 C PHE A 19 6.086 -27.169 -0.979 1.00 0.00 C ATOM 276 O PHE A 19 5.228 -26.835 -1.803 1.00 0.00 O ATOM 277 CB PHE A 19 6.920 -29.212 -2.268 1.00 0.00 C ATOM 278 CG PHE A 19 8.019 -28.424 -3.005 1.00 0.00 C ATOM 279 CD1 PHE A 19 9.337 -28.430 -2.542 1.00 0.00 C ATOM 280 CD2 PHE A 19 7.731 -27.682 -4.157 1.00 0.00 C ATOM 281 CE1 PHE A 19 10.324 -27.711 -3.196 1.00 0.00 C ATOM 282 CE2 PHE A 19 8.721 -26.967 -4.809 1.00 0.00 C ATOM 283 CZ PHE A 19 10.017 -26.987 -4.332 1.00 0.00 C ATOM 0 H PHE A 19 4.920 -29.954 -0.978 1.00 0.00 H new ATOM 0 HA PHE A 19 7.427 -28.675 -0.244 1.00 0.00 H new ATOM 0 HB2 PHE A 19 7.251 -30.243 -2.142 1.00 0.00 H new ATOM 0 HB3 PHE A 19 6.027 -29.238 -2.893 1.00 0.00 H new ATOM 0 HD1 PHE A 19 9.590 -29.003 -1.662 1.00 0.00 H new ATOM 0 HD2 PHE A 19 6.722 -27.667 -4.542 1.00 0.00 H new ATOM 0 HE1 PHE A 19 11.335 -27.716 -2.817 1.00 0.00 H new ATOM 0 HE2 PHE A 19 8.480 -26.393 -5.691 1.00 0.00 H new ATOM 0 HZ PHE A 19 10.790 -26.437 -4.847 1.00 0.00 H new ATOM 293 N GLN A 20 6.640 -26.320 -0.101 1.00 0.00 N ATOM 294 CA GLN A 20 6.366 -24.876 -0.084 1.00 0.00 C ATOM 295 C GLN A 20 7.417 -24.177 0.799 1.00 0.00 C ATOM 296 O GLN A 20 7.432 -24.361 2.019 1.00 0.00 O ATOM 297 CB GLN A 20 4.920 -24.589 0.417 1.00 0.00 C ATOM 298 CG GLN A 20 4.527 -23.099 0.398 1.00 0.00 C ATOM 299 CD GLN A 20 3.039 -22.874 0.670 1.00 0.00 C ATOM 300 OE1 GLN A 20 2.617 -22.728 1.819 1.00 0.00 O ATOM 301 NE2 GLN A 20 2.239 -22.822 -0.385 1.00 0.00 N ATOM 0 H GLN A 20 7.295 -26.618 0.622 1.00 0.00 H new ATOM 0 HA GLN A 20 6.435 -24.481 -1.098 1.00 0.00 H new ATOM 0 HB2 GLN A 20 4.216 -25.146 -0.201 1.00 0.00 H new ATOM 0 HB3 GLN A 20 4.819 -24.967 1.434 1.00 0.00 H new ATOM 0 HG2 GLN A 20 5.113 -22.564 1.145 1.00 0.00 H new ATOM 0 HG3 GLN A 20 4.783 -22.673 -0.572 1.00 0.00 H new ATOM 0 HE21 GLN A 20 2.622 -22.947 -1.322 1.00 0.00 H new ATOM 0 HE22 GLN A 20 1.240 -22.657 -0.260 1.00 0.00 H new ATOM 310 N GLY A 21 8.310 -23.405 0.158 1.00 0.00 N ATOM 311 CA GLY A 21 9.396 -22.702 0.848 1.00 0.00 C ATOM 312 C GLY A 21 10.564 -22.423 -0.083 1.00 0.00 C ATOM 313 O GLY A 21 11.230 -21.388 0.044 1.00 0.00 O ATOM 0 H GLY A 21 8.297 -23.253 -0.851 1.00 0.00 H new ATOM 0 HA2 GLY A 21 9.021 -21.762 1.254 1.00 0.00 H new ATOM 0 HA3 GLY A 21 9.738 -23.300 1.692 1.00 0.00 H new ATOM 317 N HIS A 22 10.819 -23.363 -1.026 1.00 0.00 N ATOM 318 CA HIS A 22 11.876 -23.224 -2.054 1.00 0.00 C ATOM 319 C HIS A 22 11.298 -22.462 -3.262 1.00 0.00 C ATOM 320 O HIS A 22 11.101 -23.018 -4.351 1.00 0.00 O ATOM 321 CB HIS A 22 12.454 -24.615 -2.464 1.00 0.00 C ATOM 322 CG HIS A 22 13.219 -25.339 -1.379 1.00 0.00 C ATOM 323 ND1 HIS A 22 13.992 -26.454 -1.623 1.00 0.00 N ATOM 324 CD2 HIS A 22 13.324 -25.108 -0.044 1.00 0.00 C ATOM 325 CE1 HIS A 22 14.538 -26.867 -0.499 1.00 0.00 C ATOM 326 NE2 HIS A 22 14.149 -26.071 0.473 1.00 0.00 N ATOM 0 H HIS A 22 10.298 -24.237 -1.094 1.00 0.00 H new ATOM 0 HA HIS A 22 12.710 -22.655 -1.645 1.00 0.00 H new ATOM 0 HB2 HIS A 22 11.631 -25.250 -2.792 1.00 0.00 H new ATOM 0 HB3 HIS A 22 13.113 -24.478 -3.322 1.00 0.00 H new ATOM 0 HD2 HIS A 22 12.845 -24.312 0.507 1.00 0.00 H new ATOM 0 HE1 HIS A 22 15.195 -27.717 -0.393 1.00 0.00 H new ATOM 0 HE2 HIS A 22 14.418 -26.157 1.453 1.00 0.00 H new ATOM 335 N MET A 23 10.983 -21.179 -3.010 1.00 0.00 N ATOM 336 CA MET A 23 10.391 -20.259 -3.988 1.00 0.00 C ATOM 337 C MET A 23 10.437 -18.831 -3.400 1.00 0.00 C ATOM 338 O MET A 23 9.910 -18.622 -2.300 1.00 0.00 O ATOM 339 CB MET A 23 8.914 -20.648 -4.323 1.00 0.00 C ATOM 340 CG MET A 23 8.220 -19.707 -5.321 1.00 0.00 C ATOM 341 SD MET A 23 6.496 -20.156 -5.627 1.00 0.00 S ATOM 342 CE MET A 23 5.980 -18.854 -6.749 1.00 0.00 C ATOM 0 H MET A 23 11.138 -20.747 -2.099 1.00 0.00 H new ATOM 0 HA MET A 23 10.961 -20.313 -4.916 1.00 0.00 H new ATOM 0 HB2 MET A 23 8.900 -21.660 -4.727 1.00 0.00 H new ATOM 0 HB3 MET A 23 8.337 -20.666 -3.398 1.00 0.00 H new ATOM 0 HG2 MET A 23 8.263 -18.686 -4.941 1.00 0.00 H new ATOM 0 HG3 MET A 23 8.766 -19.719 -6.264 1.00 0.00 H new ATOM 0 HE1 MET A 23 4.936 -19.003 -7.023 1.00 0.00 H new ATOM 0 HE2 MET A 23 6.093 -17.886 -6.260 1.00 0.00 H new ATOM 0 HE3 MET A 23 6.598 -18.881 -7.647 1.00 0.00 H new ATOM 352 N PRO A 24 11.106 -17.839 -4.089 1.00 0.00 N ATOM 353 CA PRO A 24 11.071 -16.411 -3.676 1.00 0.00 C ATOM 354 C PRO A 24 9.645 -15.826 -3.832 1.00 0.00 C ATOM 355 O PRO A 24 9.214 -15.481 -4.939 1.00 0.00 O ATOM 356 CB PRO A 24 12.108 -15.725 -4.617 1.00 0.00 C ATOM 357 CG PRO A 24 12.187 -16.625 -5.814 1.00 0.00 C ATOM 358 CD PRO A 24 11.963 -18.031 -5.292 1.00 0.00 C ATOM 0 HA PRO A 24 11.319 -16.258 -2.626 1.00 0.00 H new ATOM 0 HB2 PRO A 24 11.787 -14.722 -4.896 1.00 0.00 H new ATOM 0 HB3 PRO A 24 13.079 -15.625 -4.131 1.00 0.00 H new ATOM 0 HG2 PRO A 24 11.432 -16.358 -6.554 1.00 0.00 H new ATOM 0 HG3 PRO A 24 13.157 -16.540 -6.303 1.00 0.00 H new ATOM 0 HD2 PRO A 24 11.472 -18.659 -6.035 1.00 0.00 H new ATOM 0 HD3 PRO A 24 12.905 -18.517 -5.037 1.00 0.00 H new ATOM 366 N ASN A 25 8.908 -15.783 -2.705 1.00 0.00 N ATOM 367 CA ASN A 25 7.505 -15.318 -2.656 1.00 0.00 C ATOM 368 C ASN A 25 7.409 -13.826 -3.013 1.00 0.00 C ATOM 369 O ASN A 25 7.941 -12.980 -2.281 1.00 0.00 O ATOM 370 CB ASN A 25 6.909 -15.574 -1.249 1.00 0.00 C ATOM 371 CG ASN A 25 6.885 -17.060 -0.882 1.00 0.00 C ATOM 372 OD1 ASN A 25 5.943 -17.773 -1.223 1.00 0.00 O ATOM 373 ND2 ASN A 25 7.909 -17.536 -0.177 1.00 0.00 N ATOM 0 H ASN A 25 9.270 -16.072 -1.796 1.00 0.00 H new ATOM 0 HA ASN A 25 6.931 -15.880 -3.392 1.00 0.00 H new ATOM 0 HB2 ASN A 25 7.492 -15.029 -0.507 1.00 0.00 H new ATOM 0 HB3 ASN A 25 5.894 -15.177 -1.210 1.00 0.00 H new ATOM 0 HD21 ASN A 25 7.927 -18.519 0.096 1.00 0.00 H new ATOM 0 HD22 ASN A 25 8.675 -16.918 0.090 1.00 0.00 H new ATOM 380 N ASP A 26 6.744 -13.529 -4.148 1.00 0.00 N ATOM 381 CA ASP A 26 6.610 -12.169 -4.691 1.00 0.00 C ATOM 382 C ASP A 26 5.678 -11.312 -3.816 1.00 0.00 C ATOM 383 O ASP A 26 4.450 -11.307 -4.003 1.00 0.00 O ATOM 384 CB ASP A 26 6.101 -12.209 -6.161 1.00 0.00 C ATOM 385 CG ASP A 26 7.066 -12.958 -7.094 1.00 0.00 C ATOM 386 OD1 ASP A 26 6.986 -14.202 -7.172 1.00 0.00 O ATOM 387 OD2 ASP A 26 7.936 -12.308 -7.727 1.00 0.00 O ATOM 0 H ASP A 26 6.281 -14.238 -4.717 1.00 0.00 H new ATOM 0 HA ASP A 26 7.597 -11.707 -4.683 1.00 0.00 H new ATOM 0 HB2 ASP A 26 5.123 -12.690 -6.191 1.00 0.00 H new ATOM 0 HB3 ASP A 26 5.966 -11.190 -6.524 1.00 0.00 H new ATOM 392 N MET A 27 6.292 -10.598 -2.848 1.00 0.00 N ATOM 393 CA MET A 27 5.597 -9.616 -1.989 1.00 0.00 C ATOM 394 C MET A 27 5.061 -8.436 -2.823 1.00 0.00 C ATOM 395 O MET A 27 4.133 -7.754 -2.396 1.00 0.00 O ATOM 396 CB MET A 27 6.536 -9.078 -0.868 1.00 0.00 C ATOM 397 CG MET A 27 7.793 -8.343 -1.378 1.00 0.00 C ATOM 398 SD MET A 27 8.646 -7.404 -0.089 1.00 0.00 S ATOM 399 CE MET A 27 7.450 -6.109 0.280 1.00 0.00 C ATOM 0 H MET A 27 7.287 -10.687 -2.640 1.00 0.00 H new ATOM 0 HA MET A 27 4.758 -10.133 -1.523 1.00 0.00 H new ATOM 0 HB2 MET A 27 5.968 -8.399 -0.232 1.00 0.00 H new ATOM 0 HB3 MET A 27 6.849 -9.914 -0.243 1.00 0.00 H new ATOM 0 HG2 MET A 27 8.483 -9.071 -1.804 1.00 0.00 H new ATOM 0 HG3 MET A 27 7.508 -7.665 -2.183 1.00 0.00 H new ATOM 0 HE1 MET A 27 7.958 -5.269 0.754 1.00 0.00 H new ATOM 0 HE2 MET A 27 6.980 -5.774 -0.645 1.00 0.00 H new ATOM 0 HE3 MET A 27 6.687 -6.499 0.954 1.00 0.00 H new ATOM 409 N GLU A 28 5.672 -8.223 -4.011 1.00 0.00 N ATOM 410 CA GLU A 28 5.293 -7.166 -4.958 1.00 0.00 C ATOM 411 C GLU A 28 3.878 -7.404 -5.504 1.00 0.00 C ATOM 412 O GLU A 28 3.049 -6.499 -5.486 1.00 0.00 O ATOM 413 CB GLU A 28 6.306 -7.130 -6.126 1.00 0.00 C ATOM 414 CG GLU A 28 6.038 -6.046 -7.191 1.00 0.00 C ATOM 415 CD GLU A 28 6.889 -6.229 -8.456 1.00 0.00 C ATOM 416 OE1 GLU A 28 8.079 -5.854 -8.447 1.00 0.00 O ATOM 417 OE2 GLU A 28 6.372 -6.761 -9.465 1.00 0.00 O ATOM 0 H GLU A 28 6.453 -8.793 -4.337 1.00 0.00 H new ATOM 0 HA GLU A 28 5.303 -6.210 -4.434 1.00 0.00 H new ATOM 0 HB2 GLU A 28 7.304 -6.976 -5.716 1.00 0.00 H new ATOM 0 HB3 GLU A 28 6.309 -8.104 -6.614 1.00 0.00 H new ATOM 0 HG2 GLU A 28 4.983 -6.064 -7.463 1.00 0.00 H new ATOM 0 HG3 GLU A 28 6.240 -5.064 -6.762 1.00 0.00 H new ATOM 424 N ASP A 29 3.628 -8.638 -5.988 1.00 0.00 N ATOM 425 CA ASP A 29 2.320 -9.037 -6.552 1.00 0.00 C ATOM 426 C ASP A 29 1.249 -9.112 -5.451 1.00 0.00 C ATOM 427 O ASP A 29 0.071 -8.846 -5.699 1.00 0.00 O ATOM 428 CB ASP A 29 2.429 -10.396 -7.291 1.00 0.00 C ATOM 429 CG ASP A 29 1.114 -10.807 -7.992 1.00 0.00 C ATOM 430 OD1 ASP A 29 0.748 -10.174 -9.008 1.00 0.00 O ATOM 431 OD2 ASP A 29 0.427 -11.742 -7.522 1.00 0.00 O ATOM 0 H ASP A 29 4.324 -9.384 -5.999 1.00 0.00 H new ATOM 0 HA ASP A 29 2.020 -8.276 -7.273 1.00 0.00 H new ATOM 0 HB2 ASP A 29 3.227 -10.338 -8.031 1.00 0.00 H new ATOM 0 HB3 ASP A 29 2.712 -11.170 -6.578 1.00 0.00 H new ATOM 436 N HIS A 30 1.690 -9.480 -4.237 1.00 0.00 N ATOM 437 CA HIS A 30 0.829 -9.530 -3.042 1.00 0.00 C ATOM 438 C HIS A 30 0.363 -8.101 -2.675 1.00 0.00 C ATOM 439 O HIS A 30 -0.805 -7.870 -2.361 1.00 0.00 O ATOM 440 CB HIS A 30 1.612 -10.190 -1.867 1.00 0.00 C ATOM 441 CG HIS A 30 0.746 -10.830 -0.803 1.00 0.00 C ATOM 442 ND1 HIS A 30 0.837 -12.165 -0.473 1.00 0.00 N ATOM 443 CD2 HIS A 30 -0.230 -10.323 -0.008 1.00 0.00 C ATOM 444 CE1 HIS A 30 -0.040 -12.446 0.463 1.00 0.00 C ATOM 445 NE2 HIS A 30 -0.701 -11.348 0.765 1.00 0.00 N ATOM 0 H HIS A 30 2.656 -9.752 -4.055 1.00 0.00 H new ATOM 0 HA HIS A 30 -0.057 -10.132 -3.245 1.00 0.00 H new ATOM 0 HB2 HIS A 30 2.280 -10.948 -2.276 1.00 0.00 H new ATOM 0 HB3 HIS A 30 2.239 -9.433 -1.397 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -0.572 -9.299 0.011 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -0.194 -13.417 0.911 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -1.443 -11.274 1.461 1.00 0.00 H new ATOM 454 N LEU A 31 1.317 -7.153 -2.757 1.00 0.00 N ATOM 455 CA LEU A 31 1.109 -5.717 -2.469 1.00 0.00 C ATOM 456 C LEU A 31 0.249 -5.098 -3.583 1.00 0.00 C ATOM 457 O LEU A 31 -0.558 -4.208 -3.334 1.00 0.00 O ATOM 458 CB LEU A 31 2.512 -5.026 -2.337 1.00 0.00 C ATOM 459 CG LEU A 31 2.617 -3.697 -1.504 1.00 0.00 C ATOM 460 CD1 LEU A 31 4.093 -3.402 -1.141 1.00 0.00 C ATOM 461 CD2 LEU A 31 1.998 -2.477 -2.234 1.00 0.00 C ATOM 0 H LEU A 31 2.276 -7.367 -3.031 1.00 0.00 H new ATOM 0 HA LEU A 31 0.575 -5.573 -1.530 1.00 0.00 H new ATOM 0 HB2 LEU A 31 3.198 -5.749 -1.896 1.00 0.00 H new ATOM 0 HB3 LEU A 31 2.874 -4.816 -3.343 1.00 0.00 H new ATOM 0 HG LEU A 31 2.038 -3.854 -0.594 1.00 0.00 H new ATOM 0 HD11 LEU A 31 4.148 -2.479 -0.564 1.00 0.00 H new ATOM 0 HD12 LEU A 31 4.493 -4.224 -0.548 1.00 0.00 H new ATOM 0 HD13 LEU A 31 4.678 -3.295 -2.055 1.00 0.00 H new ATOM 0 HD21 LEU A 31 2.100 -1.589 -1.610 1.00 0.00 H new ATOM 0 HD22 LEU A 31 2.516 -2.318 -3.180 1.00 0.00 H new ATOM 0 HD23 LEU A 31 0.942 -2.665 -2.426 1.00 0.00 H new ATOM 473 N LEU A 32 0.424 -5.628 -4.805 1.00 0.00 N ATOM 474 CA LEU A 32 -0.311 -5.199 -6.004 1.00 0.00 C ATOM 475 C LEU A 32 -1.802 -5.586 -5.874 1.00 0.00 C ATOM 476 O LEU A 32 -2.682 -4.841 -6.303 1.00 0.00 O ATOM 477 CB LEU A 32 0.338 -5.851 -7.265 1.00 0.00 C ATOM 478 CG LEU A 32 0.142 -5.108 -8.621 1.00 0.00 C ATOM 479 CD1 LEU A 32 0.889 -3.751 -8.619 1.00 0.00 C ATOM 480 CD2 LEU A 32 0.593 -5.991 -9.814 1.00 0.00 C ATOM 0 H LEU A 32 1.090 -6.378 -4.989 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.256 -4.115 -6.108 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.408 -5.950 -7.083 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -0.062 -6.860 -7.370 1.00 0.00 H new ATOM 0 HG LEU A 32 -0.922 -4.907 -8.742 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.738 -3.251 -9.576 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.502 -3.124 -7.816 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.954 -3.922 -8.464 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.444 -5.446 -10.746 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.648 -6.240 -9.704 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.003 -6.908 -9.831 1.00 0.00 H new ATOM 492 N THR A 33 -2.050 -6.770 -5.261 1.00 0.00 N ATOM 493 CA THR A 33 -3.405 -7.287 -4.971 1.00 0.00 C ATOM 494 C THR A 33 -4.083 -6.454 -3.861 1.00 0.00 C ATOM 495 O THR A 33 -5.296 -6.215 -3.901 1.00 0.00 O ATOM 496 CB THR A 33 -3.362 -8.806 -4.558 1.00 0.00 C ATOM 497 OG1 THR A 33 -2.688 -9.566 -5.577 1.00 0.00 O ATOM 498 CG2 THR A 33 -4.774 -9.401 -4.335 1.00 0.00 C ATOM 0 H THR A 33 -1.306 -7.396 -4.952 1.00 0.00 H new ATOM 0 HA THR A 33 -3.992 -7.199 -5.885 1.00 0.00 H new ATOM 0 HB THR A 33 -2.823 -8.866 -3.612 1.00 0.00 H new ATOM 0 HG1 THR A 33 -1.740 -9.318 -5.597 1.00 0.00 H new ATOM 0 HG21 THR A 33 -4.686 -10.450 -4.052 1.00 0.00 H new ATOM 0 HG22 THR A 33 -5.279 -8.852 -3.540 1.00 0.00 H new ATOM 0 HG23 THR A 33 -5.352 -9.320 -5.255 1.00 0.00 H new ATOM 506 N VAL A 34 -3.275 -6.011 -2.881 1.00 0.00 N ATOM 507 CA VAL A 34 -3.721 -5.096 -1.812 1.00 0.00 C ATOM 508 C VAL A 34 -4.214 -3.767 -2.424 1.00 0.00 C ATOM 509 O VAL A 34 -5.301 -3.301 -2.099 1.00 0.00 O ATOM 510 CB VAL A 34 -2.564 -4.863 -0.763 1.00 0.00 C ATOM 511 CG1 VAL A 34 -2.855 -3.682 0.193 1.00 0.00 C ATOM 512 CG2 VAL A 34 -2.291 -6.167 0.030 1.00 0.00 C ATOM 0 H VAL A 34 -2.293 -6.277 -2.807 1.00 0.00 H new ATOM 0 HA VAL A 34 -4.557 -5.550 -1.279 1.00 0.00 H new ATOM 0 HB VAL A 34 -1.668 -4.592 -1.322 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -2.027 -3.568 0.892 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -2.971 -2.766 -0.386 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -3.773 -3.880 0.747 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -1.491 -5.994 0.750 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -3.196 -6.468 0.558 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -1.994 -6.957 -0.660 1.00 0.00 H new ATOM 522 N LEU A 35 -3.419 -3.217 -3.356 1.00 0.00 N ATOM 523 CA LEU A 35 -3.745 -1.977 -4.100 1.00 0.00 C ATOM 524 C LEU A 35 -4.921 -2.186 -5.055 1.00 0.00 C ATOM 525 O LEU A 35 -5.652 -1.245 -5.356 1.00 0.00 O ATOM 526 CB LEU A 35 -2.500 -1.509 -4.886 1.00 0.00 C ATOM 527 CG LEU A 35 -1.278 -1.127 -4.008 1.00 0.00 C ATOM 528 CD1 LEU A 35 -0.061 -0.726 -4.868 1.00 0.00 C ATOM 529 CD2 LEU A 35 -1.660 -0.025 -2.989 1.00 0.00 C ATOM 0 H LEU A 35 -2.521 -3.621 -3.621 1.00 0.00 H new ATOM 0 HA LEU A 35 -4.038 -1.213 -3.380 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -2.202 -2.302 -5.572 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -2.775 -0.648 -5.495 1.00 0.00 H new ATOM 0 HG LEU A 35 -0.980 -2.010 -3.442 1.00 0.00 H new ATOM 0 HD11 LEU A 35 0.774 -0.466 -4.218 1.00 0.00 H new ATOM 0 HD12 LEU A 35 0.224 -1.562 -5.507 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -0.320 0.133 -5.487 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -0.790 0.228 -2.384 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -2.001 0.862 -3.523 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -2.459 -0.389 -2.342 1.00 0.00 H new ATOM 541 N SER A 36 -5.080 -3.428 -5.530 1.00 0.00 N ATOM 542 CA SER A 36 -6.142 -3.798 -6.466 1.00 0.00 C ATOM 543 C SER A 36 -7.516 -3.651 -5.796 1.00 0.00 C ATOM 544 O SER A 36 -8.389 -2.935 -6.295 1.00 0.00 O ATOM 545 CB SER A 36 -5.917 -5.243 -6.977 1.00 0.00 C ATOM 546 OG SER A 36 -6.797 -5.591 -8.035 1.00 0.00 O ATOM 0 H SER A 36 -4.472 -4.205 -5.273 1.00 0.00 H new ATOM 0 HA SER A 36 -6.115 -3.126 -7.324 1.00 0.00 H new ATOM 0 HB2 SER A 36 -4.887 -5.348 -7.317 1.00 0.00 H new ATOM 0 HB3 SER A 36 -6.053 -5.942 -6.152 1.00 0.00 H new ATOM 0 HG SER A 36 -7.157 -4.776 -8.443 1.00 0.00 H new ATOM 552 N VAL A 37 -7.665 -4.300 -4.635 1.00 0.00 N ATOM 553 CA VAL A 37 -8.921 -4.299 -3.873 1.00 0.00 C ATOM 554 C VAL A 37 -9.143 -2.931 -3.181 1.00 0.00 C ATOM 555 O VAL A 37 -10.272 -2.452 -3.113 1.00 0.00 O ATOM 556 CB VAL A 37 -8.945 -5.466 -2.817 1.00 0.00 C ATOM 557 CG1 VAL A 37 -10.301 -5.533 -2.066 1.00 0.00 C ATOM 558 CG2 VAL A 37 -8.610 -6.827 -3.485 1.00 0.00 C ATOM 0 H VAL A 37 -6.919 -4.841 -4.197 1.00 0.00 H new ATOM 0 HA VAL A 37 -9.738 -4.464 -4.575 1.00 0.00 H new ATOM 0 HB VAL A 37 -8.174 -5.252 -2.077 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -10.278 -6.351 -1.346 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -10.473 -4.593 -1.542 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -11.105 -5.702 -2.782 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -8.633 -7.616 -2.734 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -9.345 -7.042 -4.261 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -7.616 -6.779 -3.930 1.00 0.00 H new ATOM 568 N ALA A 38 -8.048 -2.309 -2.693 1.00 0.00 N ATOM 569 CA ALA A 38 -8.106 -1.014 -1.969 1.00 0.00 C ATOM 570 C ALA A 38 -8.594 0.122 -2.890 1.00 0.00 C ATOM 571 O ALA A 38 -9.519 0.857 -2.541 1.00 0.00 O ATOM 572 CB ALA A 38 -6.734 -0.664 -1.364 1.00 0.00 C ATOM 0 H ALA A 38 -7.104 -2.684 -2.787 1.00 0.00 H new ATOM 0 HA ALA A 38 -8.826 -1.122 -1.157 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -6.800 0.289 -0.838 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -6.435 -1.444 -0.664 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -5.994 -0.588 -2.161 1.00 0.00 H new ATOM 578 N SER A 39 -7.963 0.238 -4.072 1.00 0.00 N ATOM 579 CA SER A 39 -8.285 1.284 -5.063 1.00 0.00 C ATOM 580 C SER A 39 -9.543 0.914 -5.873 1.00 0.00 C ATOM 581 O SER A 39 -10.180 1.788 -6.468 1.00 0.00 O ATOM 582 CB SER A 39 -7.083 1.498 -6.001 1.00 0.00 C ATOM 583 OG SER A 39 -5.904 1.748 -5.250 1.00 0.00 O ATOM 0 H SER A 39 -7.216 -0.390 -4.368 1.00 0.00 H new ATOM 0 HA SER A 39 -8.494 2.212 -4.531 1.00 0.00 H new ATOM 0 HB2 SER A 39 -6.942 0.617 -6.628 1.00 0.00 H new ATOM 0 HB3 SER A 39 -7.280 2.336 -6.669 1.00 0.00 H new ATOM 0 HG SER A 39 -5.459 0.899 -5.047 1.00 0.00 H new ATOM 589 N GLY A 40 -9.877 -0.394 -5.898 1.00 0.00 N ATOM 590 CA GLY A 40 -11.065 -0.904 -6.590 1.00 0.00 C ATOM 591 C GLY A 40 -10.830 -1.203 -8.067 1.00 0.00 C ATOM 592 O GLY A 40 -11.775 -1.543 -8.780 1.00 0.00 O ATOM 0 H GLY A 40 -9.327 -1.120 -5.438 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -11.402 -1.814 -6.093 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -11.869 -0.174 -6.499 1.00 0.00 H new ATOM 596 N VAL A 41 -9.572 -1.065 -8.527 1.00 0.00 N ATOM 597 CA VAL A 41 -9.159 -1.337 -9.918 1.00 0.00 C ATOM 598 C VAL A 41 -8.368 -2.663 -9.984 1.00 0.00 C ATOM 599 O VAL A 41 -7.726 -3.015 -9.006 1.00 0.00 O ATOM 600 CB VAL A 41 -8.274 -0.151 -10.470 1.00 0.00 C ATOM 601 CG1 VAL A 41 -9.074 1.171 -10.525 1.00 0.00 C ATOM 602 CG2 VAL A 41 -6.965 0.029 -9.649 1.00 0.00 C ATOM 0 H VAL A 41 -8.802 -0.757 -7.934 1.00 0.00 H new ATOM 0 HA VAL A 41 -10.052 -1.424 -10.538 1.00 0.00 H new ATOM 0 HB VAL A 41 -7.988 -0.417 -11.488 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -8.436 1.967 -10.909 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -9.936 1.048 -11.181 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -9.415 1.432 -9.523 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -6.387 0.855 -10.063 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -7.214 0.245 -8.610 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -6.376 -0.887 -9.698 1.00 0.00 H new ATOM 612 N PRO A 42 -8.417 -3.439 -11.118 1.00 0.00 N ATOM 613 CA PRO A 42 -7.562 -4.649 -11.290 1.00 0.00 C ATOM 614 C PRO A 42 -6.047 -4.310 -11.272 1.00 0.00 C ATOM 615 O PRO A 42 -5.659 -3.159 -11.512 1.00 0.00 O ATOM 616 CB PRO A 42 -8.014 -5.225 -12.667 1.00 0.00 C ATOM 617 CG PRO A 42 -8.655 -4.069 -13.376 1.00 0.00 C ATOM 618 CD PRO A 42 -9.313 -3.238 -12.291 1.00 0.00 C ATOM 0 HA PRO A 42 -7.684 -5.362 -10.474 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -7.166 -5.613 -13.231 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -8.716 -6.049 -12.540 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -7.914 -3.485 -13.922 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -9.389 -4.414 -14.104 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -9.378 -2.187 -12.573 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -10.328 -3.576 -12.085 1.00 0.00 H new ATOM 626 N LYS A 43 -5.203 -5.333 -11.005 1.00 0.00 N ATOM 627 CA LYS A 43 -3.726 -5.185 -10.943 1.00 0.00 C ATOM 628 C LYS A 43 -3.138 -4.759 -12.307 1.00 0.00 C ATOM 629 O LYS A 43 -2.027 -4.223 -12.373 1.00 0.00 O ATOM 630 CB LYS A 43 -3.070 -6.513 -10.483 1.00 0.00 C ATOM 631 CG LYS A 43 -3.437 -6.967 -9.053 1.00 0.00 C ATOM 632 CD LYS A 43 -2.661 -8.224 -8.580 1.00 0.00 C ATOM 633 CE LYS A 43 -2.964 -9.481 -9.410 1.00 0.00 C ATOM 634 NZ LYS A 43 -2.217 -10.667 -8.909 1.00 0.00 N ATOM 0 H LYS A 43 -5.524 -6.285 -10.826 1.00 0.00 H new ATOM 0 HA LYS A 43 -3.506 -4.401 -10.219 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -3.354 -7.301 -11.181 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -1.987 -6.406 -10.546 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -3.242 -6.148 -8.360 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -4.506 -7.173 -9.010 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -1.591 -8.019 -8.624 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -2.905 -8.420 -7.536 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -4.034 -9.687 -9.381 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -2.702 -9.300 -10.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -2.511 -11.512 -9.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -1.196 -10.515 -9.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -2.421 -10.804 -7.898 1.00 0.00 H new ATOM 648 N GLU A 44 -3.909 -5.010 -13.382 1.00 0.00 N ATOM 649 CA GLU A 44 -3.545 -4.642 -14.762 1.00 0.00 C ATOM 650 C GLU A 44 -3.561 -3.108 -14.980 1.00 0.00 C ATOM 651 O GLU A 44 -2.949 -2.611 -15.939 1.00 0.00 O ATOM 652 CB GLU A 44 -4.500 -5.362 -15.747 1.00 0.00 C ATOM 653 CG GLU A 44 -4.438 -6.907 -15.641 1.00 0.00 C ATOM 654 CD GLU A 44 -5.451 -7.640 -16.537 1.00 0.00 C ATOM 655 OE1 GLU A 44 -5.138 -7.896 -17.722 1.00 0.00 O ATOM 656 OE2 GLU A 44 -6.557 -7.978 -16.057 1.00 0.00 O ATOM 0 H GLU A 44 -4.812 -5.479 -13.315 1.00 0.00 H new ATOM 0 HA GLU A 44 -2.521 -4.965 -14.949 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -5.522 -5.032 -15.558 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -4.252 -5.064 -16.766 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -3.433 -7.238 -15.902 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -4.610 -7.196 -14.604 1.00 0.00 H new ATOM 663 N GLU A 45 -4.272 -2.371 -14.102 1.00 0.00 N ATOM 664 CA GLU A 45 -4.287 -0.889 -14.111 1.00 0.00 C ATOM 665 C GLU A 45 -3.056 -0.333 -13.377 1.00 0.00 C ATOM 666 O GLU A 45 -2.559 0.758 -13.693 1.00 0.00 O ATOM 667 CB GLU A 45 -5.582 -0.338 -13.447 1.00 0.00 C ATOM 668 CG GLU A 45 -6.902 -0.865 -14.043 1.00 0.00 C ATOM 669 CD GLU A 45 -7.043 -0.592 -15.547 1.00 0.00 C ATOM 670 OE1 GLU A 45 -7.415 0.543 -15.923 1.00 0.00 O ATOM 671 OE2 GLU A 45 -6.774 -1.503 -16.365 1.00 0.00 O ATOM 0 H GLU A 45 -4.850 -2.782 -13.369 1.00 0.00 H new ATOM 0 HA GLU A 45 -4.263 -0.564 -15.151 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -5.559 -0.582 -12.385 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -5.576 0.749 -13.524 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -6.968 -1.939 -13.868 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -7.739 -0.405 -13.518 1.00 0.00 H new ATOM 678 N ILE A 46 -2.565 -1.110 -12.398 1.00 0.00 N ATOM 679 CA ILE A 46 -1.494 -0.685 -11.493 1.00 0.00 C ATOM 680 C ILE A 46 -0.128 -1.040 -12.109 1.00 0.00 C ATOM 681 O ILE A 46 0.384 -2.146 -11.909 1.00 0.00 O ATOM 682 CB ILE A 46 -1.649 -1.357 -10.072 1.00 0.00 C ATOM 683 CG1 ILE A 46 -3.158 -1.438 -9.654 1.00 0.00 C ATOM 684 CG2 ILE A 46 -0.806 -0.595 -9.001 1.00 0.00 C ATOM 685 CD1 ILE A 46 -3.422 -2.225 -8.395 1.00 0.00 C ATOM 0 H ILE A 46 -2.904 -2.054 -12.214 1.00 0.00 H new ATOM 0 HA ILE A 46 -1.560 0.395 -11.358 1.00 0.00 H new ATOM 0 HB ILE A 46 -1.266 -2.375 -10.134 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -3.539 -0.425 -9.520 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -3.724 -1.885 -10.471 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -0.929 -1.077 -8.031 1.00 0.00 H new ATOM 0 HG22 ILE A 46 0.246 -0.614 -9.285 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -1.146 0.439 -8.939 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -4.491 -2.227 -8.184 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -3.077 -3.250 -8.528 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -2.889 -1.768 -7.562 1.00 0.00 H new ATOM 697 N SER A 47 0.437 -0.096 -12.875 1.00 0.00 N ATOM 698 CA SER A 47 1.735 -0.271 -13.566 1.00 0.00 C ATOM 699 C SER A 47 2.935 -0.071 -12.599 1.00 0.00 C ATOM 700 O SER A 47 4.090 -0.197 -13.021 1.00 0.00 O ATOM 701 CB SER A 47 1.806 0.725 -14.755 1.00 0.00 C ATOM 702 OG SER A 47 2.976 0.556 -15.542 1.00 0.00 O ATOM 0 H SER A 47 0.010 0.816 -13.037 1.00 0.00 H new ATOM 0 HA SER A 47 1.802 -1.293 -13.938 1.00 0.00 H new ATOM 0 HB2 SER A 47 0.927 0.595 -15.386 1.00 0.00 H new ATOM 0 HB3 SER A 47 1.775 1.745 -14.372 1.00 0.00 H new ATOM 0 HG SER A 47 3.714 0.258 -14.971 1.00 0.00 H new ATOM 708 N ARG A 48 2.626 0.239 -11.306 1.00 0.00 N ATOM 709 CA ARG A 48 3.592 0.547 -10.214 1.00 0.00 C ATOM 710 C ARG A 48 4.197 1.962 -10.356 1.00 0.00 C ATOM 711 O ARG A 48 4.449 2.632 -9.354 1.00 0.00 O ATOM 712 CB ARG A 48 4.723 -0.505 -10.044 1.00 0.00 C ATOM 713 CG ARG A 48 4.258 -1.977 -9.940 1.00 0.00 C ATOM 714 CD ARG A 48 5.357 -2.895 -9.374 1.00 0.00 C ATOM 715 NE ARG A 48 6.681 -2.603 -9.958 1.00 0.00 N ATOM 716 CZ ARG A 48 7.837 -2.557 -9.277 1.00 0.00 C ATOM 717 NH1 ARG A 48 7.880 -2.835 -7.980 1.00 0.00 N ATOM 718 NH2 ARG A 48 8.953 -2.227 -9.909 1.00 0.00 N ATOM 0 H ARG A 48 1.659 0.282 -10.986 1.00 0.00 H new ATOM 0 HA ARG A 48 2.993 0.506 -9.304 1.00 0.00 H new ATOM 0 HB2 ARG A 48 5.406 -0.417 -10.889 1.00 0.00 H new ATOM 0 HB3 ARG A 48 5.292 -0.258 -9.148 1.00 0.00 H new ATOM 0 HG2 ARG A 48 3.376 -2.033 -9.302 1.00 0.00 H new ATOM 0 HG3 ARG A 48 3.962 -2.333 -10.927 1.00 0.00 H new ATOM 0 HD2 ARG A 48 5.405 -2.777 -8.291 1.00 0.00 H new ATOM 0 HD3 ARG A 48 5.096 -3.935 -9.570 1.00 0.00 H new ATOM 0 HE ARG A 48 6.721 -2.421 -10.961 1.00 0.00 H new ATOM 0 HH11 ARG A 48 7.025 -3.089 -7.484 1.00 0.00 H new ATOM 0 HH12 ARG A 48 8.768 -2.795 -7.479 1.00 0.00 H new ATOM 0 HH21 ARG A 48 8.930 -2.010 -10.905 1.00 0.00 H new ATOM 0 HH22 ARG A 48 9.836 -2.190 -9.399 1.00 0.00 H new ATOM 732 N ASP A 49 4.430 2.398 -11.611 1.00 0.00 N ATOM 733 CA ASP A 49 4.824 3.780 -11.951 1.00 0.00 C ATOM 734 C ASP A 49 3.616 4.738 -11.894 1.00 0.00 C ATOM 735 O ASP A 49 3.757 5.932 -12.200 1.00 0.00 O ATOM 736 CB ASP A 49 5.492 3.801 -13.351 1.00 0.00 C ATOM 737 CG ASP A 49 6.763 2.943 -13.394 1.00 0.00 C ATOM 738 OD1 ASP A 49 7.840 3.435 -12.982 1.00 0.00 O ATOM 739 OD2 ASP A 49 6.693 1.765 -13.816 1.00 0.00 O ATOM 0 H ASP A 49 4.349 1.792 -12.427 1.00 0.00 H new ATOM 0 HA ASP A 49 5.544 4.131 -11.212 1.00 0.00 H new ATOM 0 HB2 ASP A 49 4.784 3.438 -14.096 1.00 0.00 H new ATOM 0 HB3 ASP A 49 5.739 4.828 -13.620 1.00 0.00 H new ATOM 744 N SER A 50 2.442 4.200 -11.492 1.00 0.00 N ATOM 745 CA SER A 50 1.227 4.975 -11.213 1.00 0.00 C ATOM 746 C SER A 50 1.513 6.095 -10.184 1.00 0.00 C ATOM 747 O SER A 50 2.141 5.853 -9.147 1.00 0.00 O ATOM 748 CB SER A 50 0.133 4.017 -10.686 1.00 0.00 C ATOM 749 OG SER A 50 -1.051 4.713 -10.343 1.00 0.00 O ATOM 0 H SER A 50 2.318 3.197 -11.352 1.00 0.00 H new ATOM 0 HA SER A 50 0.883 5.452 -12.131 1.00 0.00 H new ATOM 0 HB2 SER A 50 -0.092 3.268 -11.446 1.00 0.00 H new ATOM 0 HB3 SER A 50 0.507 3.483 -9.813 1.00 0.00 H new ATOM 0 HG SER A 50 -1.485 5.042 -11.158 1.00 0.00 H new ATOM 755 N ARG A 51 1.048 7.317 -10.483 1.00 0.00 N ATOM 756 CA ARG A 51 1.294 8.516 -9.653 1.00 0.00 C ATOM 757 C ARG A 51 0.167 8.729 -8.622 1.00 0.00 C ATOM 758 O ARG A 51 -0.135 9.877 -8.258 1.00 0.00 O ATOM 759 CB ARG A 51 1.440 9.754 -10.580 1.00 0.00 C ATOM 760 CG ARG A 51 2.608 9.663 -11.587 1.00 0.00 C ATOM 761 CD ARG A 51 2.726 10.916 -12.475 1.00 0.00 C ATOM 762 NE ARG A 51 2.975 12.131 -11.675 1.00 0.00 N ATOM 763 CZ ARG A 51 3.228 13.353 -12.174 1.00 0.00 C ATOM 764 NH1 ARG A 51 3.236 13.573 -13.478 1.00 0.00 N ATOM 765 NH2 ARG A 51 3.455 14.361 -11.358 1.00 0.00 N ATOM 0 H ARG A 51 0.486 7.507 -11.313 1.00 0.00 H new ATOM 0 HA ARG A 51 2.217 8.373 -9.091 1.00 0.00 H new ATOM 0 HB2 ARG A 51 0.510 9.891 -11.132 1.00 0.00 H new ATOM 0 HB3 ARG A 51 1.577 10.641 -9.962 1.00 0.00 H new ATOM 0 HG2 ARG A 51 3.541 9.519 -11.043 1.00 0.00 H new ATOM 0 HG3 ARG A 51 2.470 8.786 -12.219 1.00 0.00 H new ATOM 0 HD2 ARG A 51 3.536 10.779 -13.191 1.00 0.00 H new ATOM 0 HD3 ARG A 51 1.809 11.041 -13.051 1.00 0.00 H new ATOM 0 HE ARG A 51 2.953 12.035 -10.660 1.00 0.00 H new ATOM 0 HH11 ARG A 51 3.048 12.808 -14.125 1.00 0.00 H new ATOM 0 HH12 ARG A 51 3.430 14.508 -13.836 1.00 0.00 H new ATOM 0 HH21 ARG A 51 3.439 14.214 -10.349 1.00 0.00 H new ATOM 0 HH22 ARG A 51 3.647 15.289 -11.735 1.00 0.00 H new ATOM 779 N MET A 52 -0.444 7.610 -8.152 1.00 0.00 N ATOM 780 CA MET A 52 -1.463 7.608 -7.073 1.00 0.00 C ATOM 781 C MET A 52 -2.744 8.394 -7.458 1.00 0.00 C ATOM 782 O MET A 52 -3.577 8.670 -6.590 1.00 0.00 O ATOM 783 CB MET A 52 -0.869 8.162 -5.740 1.00 0.00 C ATOM 784 CG MET A 52 0.167 7.273 -5.048 1.00 0.00 C ATOM 785 SD MET A 52 -0.519 5.701 -4.499 1.00 0.00 S ATOM 786 CE MET A 52 0.758 5.119 -3.391 1.00 0.00 C ATOM 0 H MET A 52 -0.241 6.679 -8.515 1.00 0.00 H new ATOM 0 HA MET A 52 -1.754 6.568 -6.927 1.00 0.00 H new ATOM 0 HB2 MET A 52 -0.410 9.130 -5.944 1.00 0.00 H new ATOM 0 HB3 MET A 52 -1.690 8.338 -5.045 1.00 0.00 H new ATOM 0 HG2 MET A 52 0.993 7.084 -5.734 1.00 0.00 H new ATOM 0 HG3 MET A 52 0.580 7.804 -4.190 1.00 0.00 H new ATOM 0 HE1 MET A 52 0.919 4.053 -3.550 1.00 0.00 H new ATOM 0 HE2 MET A 52 1.684 5.659 -3.588 1.00 0.00 H new ATOM 0 HE3 MET A 52 0.450 5.290 -2.359 1.00 0.00 H new ATOM 796 N GLU A 53 -2.918 8.674 -8.767 1.00 0.00 N ATOM 797 CA GLU A 53 -3.946 9.608 -9.271 1.00 0.00 C ATOM 798 C GLU A 53 -5.375 9.169 -8.888 1.00 0.00 C ATOM 799 O GLU A 53 -6.184 9.980 -8.419 1.00 0.00 O ATOM 800 CB GLU A 53 -3.810 9.753 -10.806 1.00 0.00 C ATOM 801 CG GLU A 53 -4.783 10.765 -11.449 1.00 0.00 C ATOM 802 CD GLU A 53 -4.548 10.954 -12.958 1.00 0.00 C ATOM 803 OE1 GLU A 53 -5.121 10.187 -13.763 1.00 0.00 O ATOM 804 OE2 GLU A 53 -3.782 11.864 -13.347 1.00 0.00 O ATOM 0 H GLU A 53 -2.349 8.258 -9.504 1.00 0.00 H new ATOM 0 HA GLU A 53 -3.779 10.576 -8.798 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -2.789 10.054 -11.039 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -3.968 8.777 -11.265 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -5.807 10.429 -11.286 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -4.680 11.728 -10.948 1.00 0.00 H new ATOM 811 N ASP A 54 -5.660 7.875 -9.087 1.00 0.00 N ATOM 812 CA ASP A 54 -6.958 7.247 -8.729 1.00 0.00 C ATOM 813 C ASP A 54 -6.721 6.041 -7.809 1.00 0.00 C ATOM 814 O ASP A 54 -7.665 5.312 -7.484 1.00 0.00 O ATOM 815 CB ASP A 54 -7.703 6.776 -10.011 1.00 0.00 C ATOM 816 CG ASP A 54 -7.985 7.931 -10.979 1.00 0.00 C ATOM 817 OD1 ASP A 54 -8.918 8.723 -10.720 1.00 0.00 O ATOM 818 OD2 ASP A 54 -7.280 8.054 -12.009 1.00 0.00 O ATOM 0 H ASP A 54 -4.997 7.222 -9.504 1.00 0.00 H new ATOM 0 HA ASP A 54 -7.568 7.987 -8.211 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -7.106 6.018 -10.518 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -8.644 6.304 -9.729 1.00 0.00 H new ATOM 823 N LEU A 55 -5.443 5.828 -7.397 1.00 0.00 N ATOM 824 CA LEU A 55 -5.011 4.601 -6.695 1.00 0.00 C ATOM 825 C LEU A 55 -4.365 4.959 -5.348 1.00 0.00 C ATOM 826 O LEU A 55 -3.418 5.740 -5.324 1.00 0.00 O ATOM 827 CB LEU A 55 -3.988 3.778 -7.540 1.00 0.00 C ATOM 828 CG LEU A 55 -4.430 3.385 -8.999 1.00 0.00 C ATOM 829 CD1 LEU A 55 -4.285 4.555 -10.005 1.00 0.00 C ATOM 830 CD2 LEU A 55 -3.677 2.138 -9.488 1.00 0.00 C ATOM 0 H LEU A 55 -4.691 6.501 -7.544 1.00 0.00 H new ATOM 0 HA LEU A 55 -5.901 3.992 -6.537 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -3.063 4.351 -7.607 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -3.756 2.862 -6.996 1.00 0.00 H new ATOM 0 HG LEU A 55 -5.493 3.148 -8.949 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -4.604 4.226 -10.994 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -4.906 5.391 -9.683 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -3.243 4.872 -10.047 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -4.002 1.889 -10.498 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -2.605 2.338 -9.490 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -3.889 1.301 -8.823 1.00 0.00 H new ATOM 842 N ALA A 56 -4.927 4.415 -4.240 1.00 0.00 N ATOM 843 CA ALA A 56 -4.309 4.403 -2.882 1.00 0.00 C ATOM 844 C ALA A 56 -4.320 5.767 -2.131 1.00 0.00 C ATOM 845 O ALA A 56 -4.367 5.780 -0.900 1.00 0.00 O ATOM 846 CB ALA A 56 -2.885 3.804 -2.915 1.00 0.00 C ATOM 0 H ALA A 56 -5.841 3.962 -4.261 1.00 0.00 H new ATOM 0 HA ALA A 56 -4.962 3.756 -2.296 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -2.464 3.810 -1.910 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -2.930 2.779 -3.283 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -2.255 4.399 -3.576 1.00 0.00 H new ATOM 852 N PHE A 57 -4.295 6.897 -2.870 1.00 0.00 N ATOM 853 CA PHE A 57 -4.073 8.245 -2.297 1.00 0.00 C ATOM 854 C PHE A 57 -5.357 8.863 -1.716 1.00 0.00 C ATOM 855 O PHE A 57 -5.280 9.801 -0.905 1.00 0.00 O ATOM 856 CB PHE A 57 -3.462 9.171 -3.379 1.00 0.00 C ATOM 857 CG PHE A 57 -3.088 10.581 -2.914 1.00 0.00 C ATOM 858 CD1 PHE A 57 -2.132 10.770 -1.915 1.00 0.00 C ATOM 859 CD2 PHE A 57 -3.698 11.716 -3.464 1.00 0.00 C ATOM 860 CE1 PHE A 57 -1.797 12.037 -1.485 1.00 0.00 C ATOM 861 CE2 PHE A 57 -3.363 12.980 -3.031 1.00 0.00 C ATOM 862 CZ PHE A 57 -2.412 13.143 -2.039 1.00 0.00 C ATOM 0 H PHE A 57 -4.428 6.902 -3.881 1.00 0.00 H new ATOM 0 HA PHE A 57 -3.378 8.140 -1.464 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -2.568 8.691 -3.779 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -4.173 9.256 -4.201 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -1.648 9.912 -1.472 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -4.441 11.598 -4.238 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -1.052 12.165 -0.713 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -3.843 13.844 -3.466 1.00 0.00 H new ATOM 0 HZ PHE A 57 -2.151 14.134 -1.698 1.00 0.00 H new ATOM 872 N ASP A 58 -6.529 8.351 -2.132 1.00 0.00 N ATOM 873 CA ASP A 58 -7.829 8.799 -1.595 1.00 0.00 C ATOM 874 C ASP A 58 -7.877 8.550 -0.078 1.00 0.00 C ATOM 875 O ASP A 58 -7.469 7.487 0.359 1.00 0.00 O ATOM 876 CB ASP A 58 -8.976 8.056 -2.313 1.00 0.00 C ATOM 877 CG ASP A 58 -10.371 8.465 -1.812 1.00 0.00 C ATOM 878 OD1 ASP A 58 -10.880 9.521 -2.248 1.00 0.00 O ATOM 879 OD2 ASP A 58 -10.952 7.751 -0.969 1.00 0.00 O ATOM 0 H ASP A 58 -6.604 7.623 -2.842 1.00 0.00 H new ATOM 0 HA ASP A 58 -7.949 9.868 -1.773 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -8.911 8.249 -3.384 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -8.848 6.983 -2.174 1.00 0.00 H new ATOM 884 N SER A 59 -8.380 9.534 0.698 1.00 0.00 N ATOM 885 CA SER A 59 -8.316 9.526 2.184 1.00 0.00 C ATOM 886 C SER A 59 -8.913 8.238 2.812 1.00 0.00 C ATOM 887 O SER A 59 -8.367 7.697 3.786 1.00 0.00 O ATOM 888 CB SER A 59 -9.048 10.774 2.716 1.00 0.00 C ATOM 889 OG SER A 59 -8.530 11.962 2.140 1.00 0.00 O ATOM 0 H SER A 59 -8.843 10.359 0.316 1.00 0.00 H new ATOM 0 HA SER A 59 -7.266 9.543 2.474 1.00 0.00 H new ATOM 0 HB2 SER A 59 -10.113 10.695 2.495 1.00 0.00 H new ATOM 0 HB3 SER A 59 -8.950 10.821 3.801 1.00 0.00 H new ATOM 0 HG SER A 59 -9.015 12.736 2.495 1.00 0.00 H new ATOM 895 N LEU A 60 -10.030 7.769 2.225 1.00 0.00 N ATOM 896 CA LEU A 60 -10.701 6.520 2.632 1.00 0.00 C ATOM 897 C LEU A 60 -9.795 5.308 2.350 1.00 0.00 C ATOM 898 O LEU A 60 -9.659 4.411 3.184 1.00 0.00 O ATOM 899 CB LEU A 60 -12.047 6.380 1.875 1.00 0.00 C ATOM 900 CG LEU A 60 -12.887 5.093 2.173 1.00 0.00 C ATOM 901 CD1 LEU A 60 -13.340 5.021 3.656 1.00 0.00 C ATOM 902 CD2 LEU A 60 -14.090 4.989 1.210 1.00 0.00 C ATOM 0 H LEU A 60 -10.494 8.247 1.453 1.00 0.00 H new ATOM 0 HA LEU A 60 -10.899 6.555 3.703 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -12.661 7.250 2.108 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -11.841 6.413 0.805 1.00 0.00 H new ATOM 0 HG LEU A 60 -12.239 4.234 2.001 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -13.919 4.112 3.816 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -12.464 5.011 4.304 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -13.955 5.889 3.891 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -14.659 4.087 1.435 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -14.730 5.863 1.332 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -13.730 4.944 0.182 1.00 0.00 H new ATOM 914 N VAL A 61 -9.151 5.337 1.175 1.00 0.00 N ATOM 915 CA VAL A 61 -8.264 4.257 0.706 1.00 0.00 C ATOM 916 C VAL A 61 -6.904 4.278 1.451 1.00 0.00 C ATOM 917 O VAL A 61 -6.241 3.249 1.544 1.00 0.00 O ATOM 918 CB VAL A 61 -8.061 4.330 -0.855 1.00 0.00 C ATOM 919 CG1 VAL A 61 -7.266 3.114 -1.379 1.00 0.00 C ATOM 920 CG2 VAL A 61 -9.429 4.439 -1.577 1.00 0.00 C ATOM 0 H VAL A 61 -9.229 6.113 0.518 1.00 0.00 H new ATOM 0 HA VAL A 61 -8.748 3.308 0.936 1.00 0.00 H new ATOM 0 HB VAL A 61 -7.479 5.225 -1.073 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -7.144 3.197 -2.459 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -6.285 3.089 -0.904 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -7.807 2.197 -1.144 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -9.269 4.488 -2.654 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -10.036 3.565 -1.340 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -9.945 5.340 -1.245 1.00 0.00 H new ATOM 930 N VAL A 62 -6.512 5.448 2.004 1.00 0.00 N ATOM 931 CA VAL A 62 -5.314 5.575 2.876 1.00 0.00 C ATOM 932 C VAL A 62 -5.600 4.906 4.235 1.00 0.00 C ATOM 933 O VAL A 62 -4.704 4.310 4.848 1.00 0.00 O ATOM 934 CB VAL A 62 -4.888 7.089 3.085 1.00 0.00 C ATOM 935 CG1 VAL A 62 -3.718 7.240 4.095 1.00 0.00 C ATOM 936 CG2 VAL A 62 -4.516 7.744 1.733 1.00 0.00 C ATOM 0 H VAL A 62 -7.010 6.327 1.862 1.00 0.00 H new ATOM 0 HA VAL A 62 -4.481 5.074 2.384 1.00 0.00 H new ATOM 0 HB VAL A 62 -5.750 7.605 3.507 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -3.464 8.295 4.203 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -4.019 6.838 5.063 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -2.849 6.693 3.729 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -4.227 8.782 1.899 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -3.683 7.203 1.283 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -5.375 7.709 1.063 1.00 0.00 H new ATOM 946 N SER A 63 -6.866 4.997 4.676 1.00 0.00 N ATOM 947 CA SER A 63 -7.352 4.302 5.881 1.00 0.00 C ATOM 948 C SER A 63 -7.420 2.776 5.635 1.00 0.00 C ATOM 949 O SER A 63 -7.219 1.977 6.557 1.00 0.00 O ATOM 950 CB SER A 63 -8.732 4.867 6.286 1.00 0.00 C ATOM 951 OG SER A 63 -8.678 6.281 6.466 1.00 0.00 O ATOM 0 H SER A 63 -7.581 5.554 4.208 1.00 0.00 H new ATOM 0 HA SER A 63 -6.655 4.473 6.701 1.00 0.00 H new ATOM 0 HB2 SER A 63 -9.467 4.623 5.519 1.00 0.00 H new ATOM 0 HB3 SER A 63 -9.065 4.393 7.209 1.00 0.00 H new ATOM 0 HG SER A 63 -8.576 6.718 5.595 1.00 0.00 H new ATOM 957 N GLU A 64 -7.699 2.393 4.374 1.00 0.00 N ATOM 958 CA GLU A 64 -7.700 0.983 3.933 1.00 0.00 C ATOM 959 C GLU A 64 -6.264 0.462 3.726 1.00 0.00 C ATOM 960 O GLU A 64 -6.014 -0.731 3.891 1.00 0.00 O ATOM 961 CB GLU A 64 -8.533 0.830 2.639 1.00 0.00 C ATOM 962 CG GLU A 64 -10.033 1.144 2.825 1.00 0.00 C ATOM 963 CD GLU A 64 -10.821 1.159 1.508 1.00 0.00 C ATOM 964 OE1 GLU A 64 -11.107 0.073 0.962 1.00 0.00 O ATOM 965 OE2 GLU A 64 -11.175 2.256 1.024 1.00 0.00 O ATOM 0 H GLU A 64 -7.930 3.053 3.631 1.00 0.00 H new ATOM 0 HA GLU A 64 -8.159 0.380 4.717 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -8.125 1.491 1.874 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -8.428 -0.190 2.268 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -10.471 0.403 3.494 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -10.136 2.114 3.312 1.00 0.00 H new ATOM 972 N LEU A 65 -5.331 1.375 3.366 1.00 0.00 N ATOM 973 CA LEU A 65 -3.901 1.046 3.172 1.00 0.00 C ATOM 974 C LEU A 65 -3.261 0.739 4.532 1.00 0.00 C ATOM 975 O LEU A 65 -2.575 -0.271 4.687 1.00 0.00 O ATOM 976 CB LEU A 65 -3.127 2.202 2.423 1.00 0.00 C ATOM 977 CG LEU A 65 -2.652 1.902 0.960 1.00 0.00 C ATOM 978 CD1 LEU A 65 -1.674 0.707 0.911 1.00 0.00 C ATOM 979 CD2 LEU A 65 -3.853 1.688 0.025 1.00 0.00 C ATOM 0 H LEU A 65 -5.549 2.358 3.203 1.00 0.00 H new ATOM 0 HA LEU A 65 -3.832 0.164 2.536 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -3.771 3.081 2.397 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -2.252 2.465 3.017 1.00 0.00 H new ATOM 0 HG LEU A 65 -2.105 2.775 0.605 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -1.367 0.530 -0.120 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -0.796 0.930 1.518 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -2.168 -0.183 1.301 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -3.496 1.482 -0.984 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -4.445 0.845 0.380 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -4.471 2.586 0.015 1.00 0.00 H new ATOM 991 N SER A 66 -3.510 1.622 5.517 1.00 0.00 N ATOM 992 CA SER A 66 -3.040 1.432 6.899 1.00 0.00 C ATOM 993 C SER A 66 -3.654 0.158 7.500 1.00 0.00 C ATOM 994 O SER A 66 -2.965 -0.573 8.194 1.00 0.00 O ATOM 995 CB SER A 66 -3.358 2.680 7.756 1.00 0.00 C ATOM 996 OG SER A 66 -4.723 3.053 7.650 1.00 0.00 O ATOM 0 H SER A 66 -4.040 2.482 5.377 1.00 0.00 H new ATOM 0 HA SER A 66 -1.957 1.307 6.892 1.00 0.00 H new ATOM 0 HB2 SER A 66 -3.116 2.477 8.799 1.00 0.00 H new ATOM 0 HB3 SER A 66 -2.728 3.510 7.438 1.00 0.00 H new ATOM 0 HG SER A 66 -5.199 2.397 7.099 1.00 0.00 H new ATOM 1002 N LEU A 67 -4.949 -0.098 7.188 1.00 0.00 N ATOM 1003 CA LEU A 67 -5.672 -1.327 7.611 1.00 0.00 C ATOM 1004 C LEU A 67 -4.955 -2.600 7.112 1.00 0.00 C ATOM 1005 O LEU A 67 -4.651 -3.512 7.896 1.00 0.00 O ATOM 1006 CB LEU A 67 -7.132 -1.291 7.064 1.00 0.00 C ATOM 1007 CG LEU A 67 -8.019 -2.551 7.345 1.00 0.00 C ATOM 1008 CD1 LEU A 67 -8.303 -2.731 8.860 1.00 0.00 C ATOM 1009 CD2 LEU A 67 -9.331 -2.501 6.529 1.00 0.00 C ATOM 0 H LEU A 67 -5.522 0.540 6.637 1.00 0.00 H new ATOM 0 HA LEU A 67 -5.688 -1.355 8.701 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -7.633 -0.421 7.488 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -7.088 -1.139 5.985 1.00 0.00 H new ATOM 0 HG LEU A 67 -7.455 -3.425 7.019 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -8.921 -3.616 9.012 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -7.361 -2.850 9.395 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -8.827 -1.853 9.239 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -9.927 -3.388 6.744 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -9.896 -1.610 6.802 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -9.097 -2.470 5.465 1.00 0.00 H new ATOM 1021 N LYS A 68 -4.684 -2.619 5.795 1.00 0.00 N ATOM 1022 CA LYS A 68 -4.104 -3.776 5.100 1.00 0.00 C ATOM 1023 C LYS A 68 -2.656 -4.014 5.522 1.00 0.00 C ATOM 1024 O LYS A 68 -2.367 -5.049 6.110 1.00 0.00 O ATOM 1025 CB LYS A 68 -4.209 -3.596 3.557 1.00 0.00 C ATOM 1026 CG LYS A 68 -5.639 -3.757 2.986 1.00 0.00 C ATOM 1027 CD LYS A 68 -6.219 -5.171 3.223 1.00 0.00 C ATOM 1028 CE LYS A 68 -5.354 -6.283 2.592 1.00 0.00 C ATOM 1029 NZ LYS A 68 -5.945 -7.627 2.791 1.00 0.00 N ATOM 0 H LYS A 68 -4.864 -1.825 5.181 1.00 0.00 H new ATOM 0 HA LYS A 68 -4.678 -4.658 5.385 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -3.836 -2.606 3.293 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -3.555 -4.322 3.074 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -6.295 -3.018 3.446 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -5.624 -3.549 1.916 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -6.306 -5.348 4.295 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -7.226 -5.220 2.809 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -5.240 -6.092 1.525 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -4.356 -6.258 3.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -5.196 -8.347 2.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -6.400 -7.671 3.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -6.654 -7.808 2.051 1.00 0.00 H new ATOM 1043 N LEU A 69 -1.770 -3.023 5.262 1.00 0.00 N ATOM 1044 CA LEU A 69 -0.317 -3.130 5.550 1.00 0.00 C ATOM 1045 C LEU A 69 -0.049 -3.569 7.009 1.00 0.00 C ATOM 1046 O LEU A 69 0.876 -4.334 7.256 1.00 0.00 O ATOM 1047 CB LEU A 69 0.400 -1.779 5.261 1.00 0.00 C ATOM 1048 CG LEU A 69 0.355 -1.251 3.787 1.00 0.00 C ATOM 1049 CD1 LEU A 69 1.051 0.126 3.670 1.00 0.00 C ATOM 1050 CD2 LEU A 69 0.964 -2.267 2.786 1.00 0.00 C ATOM 0 H LEU A 69 -2.039 -2.130 4.849 1.00 0.00 H new ATOM 0 HA LEU A 69 0.086 -3.898 4.890 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -0.038 -1.018 5.907 1.00 0.00 H new ATOM 0 HB3 LEU A 69 1.445 -1.881 5.552 1.00 0.00 H new ATOM 0 HG LEU A 69 -0.695 -1.128 3.522 1.00 0.00 H new ATOM 0 HD11 LEU A 69 1.006 0.470 2.637 1.00 0.00 H new ATOM 0 HD12 LEU A 69 0.545 0.845 4.314 1.00 0.00 H new ATOM 0 HD13 LEU A 69 2.093 0.034 3.977 1.00 0.00 H new ATOM 0 HD21 LEU A 69 0.912 -1.859 1.777 1.00 0.00 H new ATOM 0 HD22 LEU A 69 2.005 -2.456 3.048 1.00 0.00 H new ATOM 0 HD23 LEU A 69 0.404 -3.201 2.829 1.00 0.00 H new ATOM 1062 N ARG A 70 -0.910 -3.093 7.939 1.00 0.00 N ATOM 1063 CA ARG A 70 -0.837 -3.382 9.398 1.00 0.00 C ATOM 1064 C ARG A 70 -0.846 -4.894 9.710 1.00 0.00 C ATOM 1065 O ARG A 70 -0.093 -5.361 10.567 1.00 0.00 O ATOM 1066 CB ARG A 70 -2.032 -2.675 10.093 1.00 0.00 C ATOM 1067 CG ARG A 70 -2.031 -2.633 11.642 1.00 0.00 C ATOM 1068 CD ARG A 70 -3.086 -1.637 12.175 1.00 0.00 C ATOM 1069 NE ARG A 70 -2.998 -1.420 13.634 1.00 0.00 N ATOM 1070 CZ ARG A 70 -3.643 -0.441 14.308 1.00 0.00 C ATOM 1071 NH1 ARG A 70 -4.453 0.408 13.674 1.00 0.00 N ATOM 1072 NH2 ARG A 70 -3.460 -0.301 15.612 1.00 0.00 N ATOM 0 H ARG A 70 -1.692 -2.485 7.695 1.00 0.00 H new ATOM 0 HA ARG A 70 0.112 -3.002 9.778 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -2.075 -1.649 9.728 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -2.949 -3.167 9.770 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -2.236 -3.629 12.036 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -1.042 -2.346 12.000 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -2.965 -0.682 11.664 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -4.082 -2.006 11.929 1.00 0.00 H new ATOM 0 HE ARG A 70 -2.408 -2.055 14.172 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -4.593 0.324 12.667 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -4.933 1.141 14.196 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -2.832 -0.932 16.109 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -3.947 0.438 16.119 1.00 0.00 H new ATOM 1086 N LYS A 71 -1.738 -5.646 9.037 1.00 0.00 N ATOM 1087 CA LYS A 71 -1.899 -7.108 9.255 1.00 0.00 C ATOM 1088 C LYS A 71 -1.178 -7.926 8.169 1.00 0.00 C ATOM 1089 O LYS A 71 -0.346 -8.787 8.477 1.00 0.00 O ATOM 1090 CB LYS A 71 -3.416 -7.461 9.301 1.00 0.00 C ATOM 1091 CG LYS A 71 -4.239 -6.727 10.408 1.00 0.00 C ATOM 1092 CD LYS A 71 -4.197 -7.413 11.818 1.00 0.00 C ATOM 1093 CE LYS A 71 -2.835 -7.329 12.545 1.00 0.00 C ATOM 1094 NZ LYS A 71 -2.399 -5.932 12.761 1.00 0.00 N ATOM 0 H LYS A 71 -2.367 -5.266 8.330 1.00 0.00 H new ATOM 0 HA LYS A 71 -1.439 -7.369 10.208 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -3.856 -7.229 8.331 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -3.518 -8.536 9.449 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -3.865 -5.707 10.504 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -5.277 -6.657 10.084 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -4.958 -6.956 12.450 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -4.466 -8.463 11.703 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -2.907 -7.838 13.506 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -2.081 -7.856 11.961 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -2.127 -5.803 13.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -1.584 -5.724 12.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -3.179 -5.285 12.529 1.00 0.00 H new ATOM 1108 N GLU A 72 -1.528 -7.617 6.906 1.00 0.00 N ATOM 1109 CA GLU A 72 -1.039 -8.308 5.690 1.00 0.00 C ATOM 1110 C GLU A 72 0.501 -8.399 5.644 1.00 0.00 C ATOM 1111 O GLU A 72 1.060 -9.472 5.394 1.00 0.00 O ATOM 1112 CB GLU A 72 -1.559 -7.555 4.424 1.00 0.00 C ATOM 1113 CG GLU A 72 -1.432 -8.315 3.084 1.00 0.00 C ATOM 1114 CD GLU A 72 -2.437 -9.468 2.963 1.00 0.00 C ATOM 1115 OE1 GLU A 72 -3.583 -9.225 2.545 1.00 0.00 O ATOM 1116 OE2 GLU A 72 -2.094 -10.617 3.297 1.00 0.00 O ATOM 0 H GLU A 72 -2.177 -6.859 6.694 1.00 0.00 H new ATOM 0 HA GLU A 72 -1.423 -9.328 5.712 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -2.609 -7.306 4.579 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -1.017 -6.613 4.338 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -1.583 -7.618 2.259 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -0.420 -8.708 2.988 1.00 0.00 H new ATOM 1123 N PHE A 73 1.172 -7.255 5.887 1.00 0.00 N ATOM 1124 CA PHE A 73 2.649 -7.148 5.811 1.00 0.00 C ATOM 1125 C PHE A 73 3.271 -6.801 7.178 1.00 0.00 C ATOM 1126 O PHE A 73 4.492 -6.876 7.334 1.00 0.00 O ATOM 1127 CB PHE A 73 3.053 -6.088 4.755 1.00 0.00 C ATOM 1128 CG PHE A 73 2.597 -6.435 3.337 1.00 0.00 C ATOM 1129 CD1 PHE A 73 3.247 -7.433 2.601 1.00 0.00 C ATOM 1130 CD2 PHE A 73 1.508 -5.796 2.751 1.00 0.00 C ATOM 1131 CE1 PHE A 73 2.832 -7.759 1.325 1.00 0.00 C ATOM 1132 CE2 PHE A 73 1.099 -6.120 1.475 1.00 0.00 C ATOM 1133 CZ PHE A 73 1.754 -7.108 0.767 1.00 0.00 C ATOM 0 H PHE A 73 0.711 -6.381 6.141 1.00 0.00 H new ATOM 0 HA PHE A 73 3.035 -8.122 5.512 1.00 0.00 H new ATOM 0 HB2 PHE A 73 2.630 -5.124 5.039 1.00 0.00 H new ATOM 0 HB3 PHE A 73 4.137 -5.974 4.762 1.00 0.00 H new ATOM 0 HD1 PHE A 73 4.085 -7.956 3.038 1.00 0.00 H new ATOM 0 HD2 PHE A 73 0.976 -5.036 3.304 1.00 0.00 H new ATOM 0 HE1 PHE A 73 3.352 -8.523 0.766 1.00 0.00 H new ATOM 0 HE2 PHE A 73 0.265 -5.600 1.028 1.00 0.00 H new ATOM 0 HZ PHE A 73 1.421 -7.371 -0.226 1.00 0.00 H new ATOM 1143 N GLY A 74 2.433 -6.401 8.153 1.00 0.00 N ATOM 1144 CA GLY A 74 2.902 -5.959 9.478 1.00 0.00 C ATOM 1145 C GLY A 74 3.308 -4.483 9.520 1.00 0.00 C ATOM 1146 O GLY A 74 3.494 -3.923 10.606 1.00 0.00 O ATOM 0 H GLY A 74 1.419 -6.375 8.045 1.00 0.00 H new ATOM 0 HA2 GLY A 74 2.113 -6.132 10.210 1.00 0.00 H new ATOM 0 HA3 GLY A 74 3.753 -6.571 9.776 1.00 0.00 H new ATOM 1150 N VAL A 75 3.411 -3.860 8.332 1.00 0.00 N ATOM 1151 CA VAL A 75 3.889 -2.480 8.153 1.00 0.00 C ATOM 1152 C VAL A 75 2.824 -1.478 8.673 1.00 0.00 C ATOM 1153 O VAL A 75 1.896 -1.099 7.953 1.00 0.00 O ATOM 1154 CB VAL A 75 4.243 -2.227 6.628 1.00 0.00 C ATOM 1155 CG1 VAL A 75 4.807 -0.813 6.384 1.00 0.00 C ATOM 1156 CG2 VAL A 75 5.227 -3.306 6.108 1.00 0.00 C ATOM 0 H VAL A 75 3.159 -4.312 7.453 1.00 0.00 H new ATOM 0 HA VAL A 75 4.798 -2.327 8.735 1.00 0.00 H new ATOM 0 HB VAL A 75 3.311 -2.301 6.067 1.00 0.00 H new ATOM 0 HG11 VAL A 75 5.034 -0.689 5.325 1.00 0.00 H new ATOM 0 HG12 VAL A 75 4.069 -0.070 6.686 1.00 0.00 H new ATOM 0 HG13 VAL A 75 5.718 -0.679 6.968 1.00 0.00 H new ATOM 0 HG21 VAL A 75 5.457 -3.114 5.060 1.00 0.00 H new ATOM 0 HG22 VAL A 75 6.146 -3.273 6.693 1.00 0.00 H new ATOM 0 HG23 VAL A 75 4.771 -4.291 6.205 1.00 0.00 H new ATOM 1166 N THR A 76 2.949 -1.085 9.952 1.00 0.00 N ATOM 1167 CA THR A 76 1.931 -0.274 10.655 1.00 0.00 C ATOM 1168 C THR A 76 2.510 1.083 11.083 1.00 0.00 C ATOM 1169 O THR A 76 3.731 1.280 11.051 1.00 0.00 O ATOM 1170 CB THR A 76 1.362 -1.049 11.890 1.00 0.00 C ATOM 1171 OG1 THR A 76 0.272 -0.316 12.463 1.00 0.00 O ATOM 1172 CG2 THR A 76 2.433 -1.318 12.969 1.00 0.00 C ATOM 0 H THR A 76 3.756 -1.318 10.530 1.00 0.00 H new ATOM 0 HA THR A 76 1.111 -0.087 9.962 1.00 0.00 H new ATOM 0 HB THR A 76 1.017 -2.018 11.530 1.00 0.00 H new ATOM 0 HG1 THR A 76 -0.082 -0.806 13.235 1.00 0.00 H new ATOM 0 HG21 THR A 76 1.983 -1.858 13.802 1.00 0.00 H new ATOM 0 HG22 THR A 76 3.238 -1.916 12.542 1.00 0.00 H new ATOM 0 HG23 THR A 76 2.836 -0.370 13.326 1.00 0.00 H new ATOM 1180 N GLY A 77 1.610 2.019 11.469 1.00 0.00 N ATOM 1181 CA GLY A 77 1.983 3.392 11.843 1.00 0.00 C ATOM 1182 C GLY A 77 2.540 4.200 10.672 1.00 0.00 C ATOM 1183 O GLY A 77 3.177 5.242 10.863 1.00 0.00 O ATOM 0 H GLY A 77 0.608 1.837 11.528 1.00 0.00 H new ATOM 0 HA2 GLY A 77 1.109 3.903 12.246 1.00 0.00 H new ATOM 0 HA3 GLY A 77 2.727 3.356 12.639 1.00 0.00 H new ATOM 1187 N VAL A 78 2.283 3.709 9.455 1.00 0.00 N ATOM 1188 CA VAL A 78 2.785 4.301 8.203 1.00 0.00 C ATOM 1189 C VAL A 78 1.725 5.179 7.524 1.00 0.00 C ATOM 1190 O VAL A 78 1.935 5.649 6.414 1.00 0.00 O ATOM 1191 CB VAL A 78 3.282 3.175 7.229 1.00 0.00 C ATOM 1192 CG1 VAL A 78 4.488 2.425 7.834 1.00 0.00 C ATOM 1193 CG2 VAL A 78 2.136 2.188 6.856 1.00 0.00 C ATOM 0 H VAL A 78 1.712 2.877 9.306 1.00 0.00 H new ATOM 0 HA VAL A 78 3.627 4.946 8.454 1.00 0.00 H new ATOM 0 HB VAL A 78 3.606 3.655 6.306 1.00 0.00 H new ATOM 0 HG11 VAL A 78 4.817 1.649 7.143 1.00 0.00 H new ATOM 0 HG12 VAL A 78 5.304 3.127 8.007 1.00 0.00 H new ATOM 0 HG13 VAL A 78 4.196 1.969 8.780 1.00 0.00 H new ATOM 0 HG21 VAL A 78 2.520 1.423 6.181 1.00 0.00 H new ATOM 0 HG22 VAL A 78 1.755 1.715 7.761 1.00 0.00 H new ATOM 0 HG23 VAL A 78 1.331 2.734 6.365 1.00 0.00 H new ATOM 1203 N ASP A 79 0.612 5.426 8.232 1.00 0.00 N ATOM 1204 CA ASP A 79 -0.518 6.264 7.761 1.00 0.00 C ATOM 1205 C ASP A 79 -0.056 7.699 7.421 1.00 0.00 C ATOM 1206 O ASP A 79 -0.581 8.325 6.492 1.00 0.00 O ATOM 1207 CB ASP A 79 -1.636 6.283 8.838 1.00 0.00 C ATOM 1208 CG ASP A 79 -1.139 6.789 10.209 1.00 0.00 C ATOM 1209 OD1 ASP A 79 -0.502 6.001 10.945 1.00 0.00 O ATOM 1210 OD2 ASP A 79 -1.351 7.980 10.539 1.00 0.00 O ATOM 0 H ASP A 79 0.463 5.045 9.166 1.00 0.00 H new ATOM 0 HA ASP A 79 -0.913 5.828 6.843 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -2.453 6.919 8.496 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -2.041 5.277 8.952 1.00 0.00 H new ATOM 1215 N ASP A 80 0.950 8.184 8.185 1.00 0.00 N ATOM 1216 CA ASP A 80 1.612 9.486 7.974 1.00 0.00 C ATOM 1217 C ASP A 80 2.237 9.565 6.568 1.00 0.00 C ATOM 1218 O ASP A 80 1.910 10.448 5.770 1.00 0.00 O ATOM 1219 CB ASP A 80 2.711 9.669 9.058 1.00 0.00 C ATOM 1220 CG ASP A 80 3.630 10.887 8.823 1.00 0.00 C ATOM 1221 OD1 ASP A 80 3.206 12.029 9.095 1.00 0.00 O ATOM 1222 OD2 ASP A 80 4.793 10.703 8.380 1.00 0.00 O ATOM 0 H ASP A 80 1.329 7.669 8.980 1.00 0.00 H new ATOM 0 HA ASP A 80 0.871 10.282 8.055 1.00 0.00 H new ATOM 0 HB2 ASP A 80 2.232 9.771 10.032 1.00 0.00 H new ATOM 0 HB3 ASP A 80 3.323 8.768 9.096 1.00 0.00 H new ATOM 1227 N GLU A 81 3.132 8.613 6.292 1.00 0.00 N ATOM 1228 CA GLU A 81 3.926 8.581 5.050 1.00 0.00 C ATOM 1229 C GLU A 81 3.103 8.073 3.851 1.00 0.00 C ATOM 1230 O GLU A 81 3.467 8.334 2.708 1.00 0.00 O ATOM 1231 CB GLU A 81 5.219 7.763 5.281 1.00 0.00 C ATOM 1232 CG GLU A 81 5.003 6.354 5.869 1.00 0.00 C ATOM 1233 CD GLU A 81 6.287 5.713 6.410 1.00 0.00 C ATOM 1234 OE1 GLU A 81 7.181 5.372 5.612 1.00 0.00 O ATOM 1235 OE2 GLU A 81 6.413 5.545 7.644 1.00 0.00 O ATOM 0 H GLU A 81 3.331 7.837 6.923 1.00 0.00 H new ATOM 0 HA GLU A 81 4.215 9.600 4.790 1.00 0.00 H new ATOM 0 HB2 GLU A 81 5.745 7.667 4.331 1.00 0.00 H new ATOM 0 HB3 GLU A 81 5.871 8.324 5.951 1.00 0.00 H new ATOM 0 HG2 GLU A 81 4.269 6.413 6.673 1.00 0.00 H new ATOM 0 HG3 GLU A 81 4.581 5.708 5.099 1.00 0.00 H new ATOM 1242 N LEU A 82 1.987 7.367 4.140 1.00 0.00 N ATOM 1243 CA LEU A 82 0.951 6.994 3.134 1.00 0.00 C ATOM 1244 C LEU A 82 0.273 8.256 2.576 1.00 0.00 C ATOM 1245 O LEU A 82 -0.022 8.345 1.380 1.00 0.00 O ATOM 1246 CB LEU A 82 -0.122 6.039 3.754 1.00 0.00 C ATOM 1247 CG LEU A 82 0.286 4.535 3.900 1.00 0.00 C ATOM 1248 CD1 LEU A 82 -0.695 3.769 4.810 1.00 0.00 C ATOM 1249 CD2 LEU A 82 0.393 3.847 2.514 1.00 0.00 C ATOM 0 H LEU A 82 1.773 7.035 5.081 1.00 0.00 H new ATOM 0 HA LEU A 82 1.448 6.465 2.321 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -0.387 6.418 4.741 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -1.021 6.091 3.140 1.00 0.00 H new ATOM 0 HG LEU A 82 1.269 4.511 4.371 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -0.381 2.728 4.889 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -0.701 4.222 5.801 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -1.697 3.814 4.384 1.00 0.00 H new ATOM 0 HD21 LEU A 82 0.678 2.803 2.647 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -0.570 3.898 2.007 1.00 0.00 H new ATOM 0 HD23 LEU A 82 1.147 4.355 1.913 1.00 0.00 H new ATOM 1261 N ASP A 83 0.026 9.226 3.476 1.00 0.00 N ATOM 1262 CA ASP A 83 -0.497 10.561 3.119 1.00 0.00 C ATOM 1263 C ASP A 83 0.558 11.359 2.317 1.00 0.00 C ATOM 1264 O ASP A 83 0.215 12.110 1.398 1.00 0.00 O ATOM 1265 CB ASP A 83 -0.910 11.319 4.416 1.00 0.00 C ATOM 1266 CG ASP A 83 -1.325 12.789 4.190 1.00 0.00 C ATOM 1267 OD1 ASP A 83 -2.496 13.045 3.827 1.00 0.00 O ATOM 1268 OD2 ASP A 83 -0.479 13.698 4.370 1.00 0.00 O ATOM 0 H ASP A 83 0.184 9.106 4.477 1.00 0.00 H new ATOM 0 HA ASP A 83 -1.376 10.448 2.485 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -1.739 10.788 4.884 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -0.077 11.293 5.118 1.00 0.00 H new ATOM 1273 N LEU A 84 1.846 11.166 2.677 1.00 0.00 N ATOM 1274 CA LEU A 84 2.990 11.850 2.024 1.00 0.00 C ATOM 1275 C LEU A 84 3.372 11.213 0.665 1.00 0.00 C ATOM 1276 O LEU A 84 4.262 11.726 -0.026 1.00 0.00 O ATOM 1277 CB LEU A 84 4.220 11.866 2.973 1.00 0.00 C ATOM 1278 CG LEU A 84 4.010 12.574 4.351 1.00 0.00 C ATOM 1279 CD1 LEU A 84 5.282 12.502 5.225 1.00 0.00 C ATOM 1280 CD2 LEU A 84 3.532 14.039 4.172 1.00 0.00 C ATOM 0 H LEU A 84 2.124 10.533 3.427 1.00 0.00 H new ATOM 0 HA LEU A 84 2.673 12.872 1.818 1.00 0.00 H new ATOM 0 HB2 LEU A 84 4.525 10.836 3.158 1.00 0.00 H new ATOM 0 HB3 LEU A 84 5.046 12.355 2.457 1.00 0.00 H new ATOM 0 HG LEU A 84 3.221 12.034 4.875 1.00 0.00 H new ATOM 0 HD11 LEU A 84 5.100 13.004 6.175 1.00 0.00 H new ATOM 0 HD12 LEU A 84 5.538 11.459 5.409 1.00 0.00 H new ATOM 0 HD13 LEU A 84 6.107 12.992 4.708 1.00 0.00 H new ATOM 0 HD21 LEU A 84 3.397 14.500 5.151 1.00 0.00 H new ATOM 0 HD22 LEU A 84 4.278 14.599 3.608 1.00 0.00 H new ATOM 0 HD23 LEU A 84 2.585 14.049 3.632 1.00 0.00 H new ATOM 1292 N LEU A 85 2.706 10.099 0.290 1.00 0.00 N ATOM 1293 CA LEU A 85 2.934 9.428 -1.011 1.00 0.00 C ATOM 1294 C LEU A 85 2.293 10.211 -2.168 1.00 0.00 C ATOM 1295 O LEU A 85 1.188 10.741 -2.037 1.00 0.00 O ATOM 1296 CB LEU A 85 2.384 7.979 -1.010 1.00 0.00 C ATOM 1297 CG LEU A 85 3.156 6.962 -0.124 1.00 0.00 C ATOM 1298 CD1 LEU A 85 2.433 5.609 -0.082 1.00 0.00 C ATOM 1299 CD2 LEU A 85 4.634 6.805 -0.584 1.00 0.00 C ATOM 0 H LEU A 85 2.003 9.643 0.872 1.00 0.00 H new ATOM 0 HA LEU A 85 4.014 9.396 -1.158 1.00 0.00 H new ATOM 0 HB2 LEU A 85 1.346 8.005 -0.679 1.00 0.00 H new ATOM 0 HB3 LEU A 85 2.383 7.610 -2.036 1.00 0.00 H new ATOM 0 HG LEU A 85 3.178 7.359 0.891 1.00 0.00 H new ATOM 0 HD11 LEU A 85 2.994 4.916 0.545 1.00 0.00 H new ATOM 0 HD12 LEU A 85 1.433 5.743 0.331 1.00 0.00 H new ATOM 0 HD13 LEU A 85 2.357 5.205 -1.092 1.00 0.00 H new ATOM 0 HD21 LEU A 85 5.141 6.086 0.060 1.00 0.00 H new ATOM 0 HD22 LEU A 85 4.659 6.450 -1.614 1.00 0.00 H new ATOM 0 HD23 LEU A 85 5.139 7.769 -0.520 1.00 0.00 H new ATOM 1311 N GLU A 86 3.010 10.257 -3.295 1.00 0.00 N ATOM 1312 CA GLU A 86 2.526 10.832 -4.562 1.00 0.00 C ATOM 1313 C GLU A 86 2.729 9.816 -5.704 1.00 0.00 C ATOM 1314 O GLU A 86 2.386 10.103 -6.853 1.00 0.00 O ATOM 1315 CB GLU A 86 3.310 12.133 -4.873 1.00 0.00 C ATOM 1316 CG GLU A 86 4.842 11.932 -4.997 1.00 0.00 C ATOM 1317 CD GLU A 86 5.598 13.213 -5.380 1.00 0.00 C ATOM 1318 OE1 GLU A 86 5.947 14.000 -4.479 1.00 0.00 O ATOM 1319 OE2 GLU A 86 5.836 13.442 -6.581 1.00 0.00 O ATOM 0 H GLU A 86 3.960 9.890 -3.358 1.00 0.00 H new ATOM 0 HA GLU A 86 1.464 11.063 -4.473 1.00 0.00 H new ATOM 0 HB2 GLU A 86 2.933 12.558 -5.803 1.00 0.00 H new ATOM 0 HB3 GLU A 86 3.112 12.861 -4.086 1.00 0.00 H new ATOM 0 HG2 GLU A 86 5.230 11.560 -4.049 1.00 0.00 H new ATOM 0 HG3 GLU A 86 5.041 11.165 -5.745 1.00 0.00 H new ATOM 1326 N THR A 87 3.292 8.630 -5.359 1.00 0.00 N ATOM 1327 CA THR A 87 3.754 7.614 -6.328 1.00 0.00 C ATOM 1328 C THR A 87 3.754 6.192 -5.685 1.00 0.00 C ATOM 1329 O THR A 87 4.128 6.016 -4.507 1.00 0.00 O ATOM 1330 CB THR A 87 5.190 7.984 -6.862 1.00 0.00 C ATOM 1331 OG1 THR A 87 5.959 8.592 -5.814 1.00 0.00 O ATOM 1332 CG2 THR A 87 5.163 8.931 -8.079 1.00 0.00 C ATOM 0 H THR A 87 3.438 8.353 -4.388 1.00 0.00 H new ATOM 0 HA THR A 87 3.062 7.601 -7.170 1.00 0.00 H new ATOM 0 HB THR A 87 5.647 7.050 -7.188 1.00 0.00 H new ATOM 0 HG1 THR A 87 6.885 8.275 -5.861 1.00 0.00 H new ATOM 0 HG21 THR A 87 6.184 9.145 -8.396 1.00 0.00 H new ATOM 0 HG22 THR A 87 4.621 8.457 -8.897 1.00 0.00 H new ATOM 0 HG23 THR A 87 4.665 9.861 -7.805 1.00 0.00 H new ATOM 1340 N VAL A 88 3.330 5.189 -6.481 1.00 0.00 N ATOM 1341 CA VAL A 88 3.151 3.795 -6.029 1.00 0.00 C ATOM 1342 C VAL A 88 4.507 3.075 -5.880 1.00 0.00 C ATOM 1343 O VAL A 88 4.669 2.237 -4.995 1.00 0.00 O ATOM 1344 CB VAL A 88 2.184 3.014 -7.008 1.00 0.00 C ATOM 1345 CG1 VAL A 88 2.103 1.507 -6.682 1.00 0.00 C ATOM 1346 CG2 VAL A 88 0.766 3.637 -7.010 1.00 0.00 C ATOM 0 H VAL A 88 3.100 5.326 -7.465 1.00 0.00 H new ATOM 0 HA VAL A 88 2.688 3.814 -5.043 1.00 0.00 H new ATOM 0 HB VAL A 88 2.613 3.111 -8.005 1.00 0.00 H new ATOM 0 HG11 VAL A 88 1.426 1.019 -7.383 1.00 0.00 H new ATOM 0 HG12 VAL A 88 3.095 1.063 -6.766 1.00 0.00 H new ATOM 0 HG13 VAL A 88 1.730 1.374 -5.666 1.00 0.00 H new ATOM 0 HG21 VAL A 88 0.124 3.079 -7.692 1.00 0.00 H new ATOM 0 HG22 VAL A 88 0.349 3.596 -6.004 1.00 0.00 H new ATOM 0 HG23 VAL A 88 0.825 4.675 -7.336 1.00 0.00 H new ATOM 1356 N ASP A 89 5.484 3.423 -6.735 1.00 0.00 N ATOM 1357 CA ASP A 89 6.856 2.876 -6.653 1.00 0.00 C ATOM 1358 C ASP A 89 7.515 3.252 -5.305 1.00 0.00 C ATOM 1359 O ASP A 89 8.239 2.452 -4.702 1.00 0.00 O ATOM 1360 CB ASP A 89 7.699 3.396 -7.837 1.00 0.00 C ATOM 1361 CG ASP A 89 9.120 2.809 -7.870 1.00 0.00 C ATOM 1362 OD1 ASP A 89 9.288 1.659 -8.341 1.00 0.00 O ATOM 1363 OD2 ASP A 89 10.073 3.477 -7.406 1.00 0.00 O ATOM 0 H ASP A 89 5.350 4.086 -7.498 1.00 0.00 H new ATOM 0 HA ASP A 89 6.805 1.789 -6.709 1.00 0.00 H new ATOM 0 HB2 ASP A 89 7.191 3.155 -8.771 1.00 0.00 H new ATOM 0 HB3 ASP A 89 7.763 4.483 -7.780 1.00 0.00 H new ATOM 1368 N GLU A 90 7.240 4.486 -4.854 1.00 0.00 N ATOM 1369 CA GLU A 90 7.664 4.995 -3.537 1.00 0.00 C ATOM 1370 C GLU A 90 6.925 4.274 -2.385 1.00 0.00 C ATOM 1371 O GLU A 90 7.474 4.175 -1.284 1.00 0.00 O ATOM 1372 CB GLU A 90 7.460 6.540 -3.469 1.00 0.00 C ATOM 1373 CG GLU A 90 8.613 7.402 -4.063 1.00 0.00 C ATOM 1374 CD GLU A 90 9.088 7.019 -5.491 1.00 0.00 C ATOM 1375 OE1 GLU A 90 8.244 6.779 -6.378 1.00 0.00 O ATOM 1376 OE2 GLU A 90 10.317 6.998 -5.735 1.00 0.00 O ATOM 0 H GLU A 90 6.711 5.167 -5.399 1.00 0.00 H new ATOM 0 HA GLU A 90 8.726 4.783 -3.412 1.00 0.00 H new ATOM 0 HB2 GLU A 90 6.538 6.789 -3.994 1.00 0.00 H new ATOM 0 HB3 GLU A 90 7.320 6.824 -2.426 1.00 0.00 H new ATOM 0 HG2 GLU A 90 8.291 8.443 -4.077 1.00 0.00 H new ATOM 0 HG3 GLU A 90 9.468 7.342 -3.390 1.00 0.00 H new ATOM 1383 N LEU A 91 5.676 3.808 -2.634 1.00 0.00 N ATOM 1384 CA LEU A 91 4.940 2.934 -1.680 1.00 0.00 C ATOM 1385 C LEU A 91 5.613 1.555 -1.541 1.00 0.00 C ATOM 1386 O LEU A 91 5.659 0.992 -0.442 1.00 0.00 O ATOM 1387 CB LEU A 91 3.456 2.768 -2.094 1.00 0.00 C ATOM 1388 CG LEU A 91 2.607 1.715 -1.288 1.00 0.00 C ATOM 1389 CD1 LEU A 91 2.610 1.969 0.247 1.00 0.00 C ATOM 1390 CD2 LEU A 91 1.175 1.660 -1.828 1.00 0.00 C ATOM 0 H LEU A 91 5.156 4.021 -3.485 1.00 0.00 H new ATOM 0 HA LEU A 91 4.971 3.427 -0.708 1.00 0.00 H new ATOM 0 HB2 LEU A 91 2.968 3.738 -2.004 1.00 0.00 H new ATOM 0 HB3 LEU A 91 3.426 2.493 -3.148 1.00 0.00 H new ATOM 0 HG LEU A 91 3.086 0.747 -1.436 1.00 0.00 H new ATOM 0 HD11 LEU A 91 2.007 1.208 0.743 1.00 0.00 H new ATOM 0 HD12 LEU A 91 3.633 1.922 0.622 1.00 0.00 H new ATOM 0 HD13 LEU A 91 2.193 2.955 0.454 1.00 0.00 H new ATOM 0 HD21 LEU A 91 0.600 0.928 -1.261 1.00 0.00 H new ATOM 0 HD22 LEU A 91 0.711 2.641 -1.729 1.00 0.00 H new ATOM 0 HD23 LEU A 91 1.193 1.372 -2.879 1.00 0.00 H new ATOM 1402 N PHE A 92 6.117 1.008 -2.657 1.00 0.00 N ATOM 1403 CA PHE A 92 6.891 -0.245 -2.623 1.00 0.00 C ATOM 1404 C PHE A 92 8.150 -0.049 -1.767 1.00 0.00 C ATOM 1405 O PHE A 92 8.397 -0.833 -0.864 1.00 0.00 O ATOM 1406 CB PHE A 92 7.227 -0.749 -4.055 1.00 0.00 C ATOM 1407 CG PHE A 92 6.039 -1.420 -4.758 1.00 0.00 C ATOM 1408 CD1 PHE A 92 5.716 -2.754 -4.487 1.00 0.00 C ATOM 1409 CD2 PHE A 92 5.219 -0.719 -5.641 1.00 0.00 C ATOM 1410 CE1 PHE A 92 4.630 -3.360 -5.091 1.00 0.00 C ATOM 1411 CE2 PHE A 92 4.139 -1.333 -6.245 1.00 0.00 C ATOM 1412 CZ PHE A 92 3.836 -2.646 -5.962 1.00 0.00 C ATOM 0 H PHE A 92 6.005 1.409 -3.588 1.00 0.00 H new ATOM 0 HA PHE A 92 6.283 -1.024 -2.163 1.00 0.00 H new ATOM 0 HB2 PHE A 92 7.569 0.092 -4.658 1.00 0.00 H new ATOM 0 HB3 PHE A 92 8.054 -1.457 -3.999 1.00 0.00 H new ATOM 0 HD1 PHE A 92 6.324 -3.319 -3.796 1.00 0.00 H new ATOM 0 HD2 PHE A 92 5.431 0.318 -5.856 1.00 0.00 H new ATOM 0 HE1 PHE A 92 4.404 -4.395 -4.880 1.00 0.00 H new ATOM 0 HE2 PHE A 92 3.529 -0.780 -6.943 1.00 0.00 H new ATOM 0 HZ PHE A 92 2.978 -3.115 -6.421 1.00 0.00 H new ATOM 1422 N GLN A 93 8.878 1.053 -2.025 1.00 0.00 N ATOM 1423 CA GLN A 93 10.092 1.433 -1.265 1.00 0.00 C ATOM 1424 C GLN A 93 9.791 1.718 0.224 1.00 0.00 C ATOM 1425 O GLN A 93 10.658 1.532 1.076 1.00 0.00 O ATOM 1426 CB GLN A 93 10.761 2.666 -1.928 1.00 0.00 C ATOM 1427 CG GLN A 93 11.288 2.405 -3.350 1.00 0.00 C ATOM 1428 CD GLN A 93 11.865 3.652 -4.024 1.00 0.00 C ATOM 1429 OE1 GLN A 93 13.051 3.959 -3.887 1.00 0.00 O ATOM 1430 NE2 GLN A 93 11.042 4.370 -4.761 1.00 0.00 N ATOM 0 H GLN A 93 8.643 1.710 -2.769 1.00 0.00 H new ATOM 0 HA GLN A 93 10.776 0.585 -1.292 1.00 0.00 H new ATOM 0 HB2 GLN A 93 10.040 3.482 -1.963 1.00 0.00 H new ATOM 0 HB3 GLN A 93 11.588 2.999 -1.301 1.00 0.00 H new ATOM 0 HG2 GLN A 93 12.058 1.635 -3.308 1.00 0.00 H new ATOM 0 HG3 GLN A 93 10.477 2.012 -3.963 1.00 0.00 H new ATOM 0 HE21 GLN A 93 10.066 4.090 -4.855 1.00 0.00 H new ATOM 0 HE22 GLN A 93 11.381 5.206 -5.237 1.00 0.00 H new ATOM 1439 N LEU A 94 8.561 2.200 0.503 1.00 0.00 N ATOM 1440 CA LEU A 94 8.046 2.440 1.874 1.00 0.00 C ATOM 1441 C LEU A 94 8.018 1.111 2.643 1.00 0.00 C ATOM 1442 O LEU A 94 8.662 0.962 3.684 1.00 0.00 O ATOM 1443 CB LEU A 94 6.618 3.093 1.764 1.00 0.00 C ATOM 1444 CG LEU A 94 5.854 3.538 3.070 1.00 0.00 C ATOM 1445 CD1 LEU A 94 4.709 4.514 2.717 1.00 0.00 C ATOM 1446 CD2 LEU A 94 5.277 2.352 3.895 1.00 0.00 C ATOM 0 H LEU A 94 7.887 2.437 -0.225 1.00 0.00 H new ATOM 0 HA LEU A 94 8.692 3.124 2.425 1.00 0.00 H new ATOM 0 HB2 LEU A 94 6.711 3.973 1.127 1.00 0.00 H new ATOM 0 HB3 LEU A 94 5.977 2.385 1.238 1.00 0.00 H new ATOM 0 HG LEU A 94 6.600 4.029 3.695 1.00 0.00 H new ATOM 0 HD11 LEU A 94 4.191 4.812 3.629 1.00 0.00 H new ATOM 0 HD12 LEU A 94 5.121 5.397 2.228 1.00 0.00 H new ATOM 0 HD13 LEU A 94 4.006 4.022 2.045 1.00 0.00 H new ATOM 0 HD21 LEU A 94 4.766 2.737 4.778 1.00 0.00 H new ATOM 0 HD22 LEU A 94 4.570 1.792 3.282 1.00 0.00 H new ATOM 0 HD23 LEU A 94 6.090 1.694 4.204 1.00 0.00 H new ATOM 1458 N VAL A 95 7.277 0.150 2.079 1.00 0.00 N ATOM 1459 CA VAL A 95 7.060 -1.172 2.683 1.00 0.00 C ATOM 1460 C VAL A 95 8.382 -1.950 2.794 1.00 0.00 C ATOM 1461 O VAL A 95 8.632 -2.581 3.817 1.00 0.00 O ATOM 1462 CB VAL A 95 5.983 -1.981 1.864 1.00 0.00 C ATOM 1463 CG1 VAL A 95 5.785 -3.423 2.401 1.00 0.00 C ATOM 1464 CG2 VAL A 95 4.632 -1.215 1.837 1.00 0.00 C ATOM 0 H VAL A 95 6.806 0.268 1.182 1.00 0.00 H new ATOM 0 HA VAL A 95 6.678 -1.031 3.694 1.00 0.00 H new ATOM 0 HB VAL A 95 6.360 -2.073 0.846 1.00 0.00 H new ATOM 0 HG11 VAL A 95 5.033 -3.935 1.801 1.00 0.00 H new ATOM 0 HG12 VAL A 95 6.728 -3.966 2.341 1.00 0.00 H new ATOM 0 HG13 VAL A 95 5.455 -3.383 3.439 1.00 0.00 H new ATOM 0 HG21 VAL A 95 3.900 -1.788 1.267 1.00 0.00 H new ATOM 0 HG22 VAL A 95 4.271 -1.077 2.856 1.00 0.00 H new ATOM 0 HG23 VAL A 95 4.775 -0.241 1.368 1.00 0.00 H new ATOM 1474 N GLU A 96 9.232 -1.853 1.747 1.00 0.00 N ATOM 1475 CA GLU A 96 10.550 -2.529 1.692 1.00 0.00 C ATOM 1476 C GLU A 96 11.521 -1.951 2.743 1.00 0.00 C ATOM 1477 O GLU A 96 12.320 -2.695 3.317 1.00 0.00 O ATOM 1478 CB GLU A 96 11.163 -2.419 0.268 1.00 0.00 C ATOM 1479 CG GLU A 96 10.391 -3.196 -0.832 1.00 0.00 C ATOM 1480 CD GLU A 96 10.958 -2.976 -2.252 1.00 0.00 C ATOM 1481 OE1 GLU A 96 10.567 -1.994 -2.921 1.00 0.00 O ATOM 1482 OE2 GLU A 96 11.799 -3.787 -2.706 1.00 0.00 O ATOM 0 H GLU A 96 9.024 -1.303 0.914 1.00 0.00 H new ATOM 0 HA GLU A 96 10.393 -3.582 1.923 1.00 0.00 H new ATOM 0 HB2 GLU A 96 11.208 -1.367 -0.013 1.00 0.00 H new ATOM 0 HB3 GLU A 96 12.189 -2.785 0.300 1.00 0.00 H new ATOM 0 HG2 GLU A 96 10.416 -4.261 -0.600 1.00 0.00 H new ATOM 0 HG3 GLU A 96 9.345 -2.891 -0.815 1.00 0.00 H new ATOM 1489 N LYS A 97 11.437 -0.622 2.990 1.00 0.00 N ATOM 1490 CA LYS A 97 12.293 0.065 3.987 1.00 0.00 C ATOM 1491 C LYS A 97 11.929 -0.432 5.398 1.00 0.00 C ATOM 1492 O LYS A 97 12.811 -0.770 6.191 1.00 0.00 O ATOM 1493 CB LYS A 97 12.135 1.621 3.867 1.00 0.00 C ATOM 1494 CG LYS A 97 13.181 2.492 4.634 1.00 0.00 C ATOM 1495 CD LYS A 97 12.887 2.661 6.148 1.00 0.00 C ATOM 1496 CE LYS A 97 13.983 3.444 6.888 1.00 0.00 C ATOM 1497 NZ LYS A 97 13.682 3.598 8.334 1.00 0.00 N ATOM 0 H LYS A 97 10.783 -0.003 2.511 1.00 0.00 H new ATOM 0 HA LYS A 97 13.340 -0.171 3.795 1.00 0.00 H new ATOM 0 HB2 LYS A 97 12.179 1.887 2.811 1.00 0.00 H new ATOM 0 HB3 LYS A 97 11.141 1.891 4.223 1.00 0.00 H new ATOM 0 HG2 LYS A 97 14.167 2.042 4.516 1.00 0.00 H new ATOM 0 HG3 LYS A 97 13.223 3.478 4.172 1.00 0.00 H new ATOM 0 HD2 LYS A 97 11.934 3.175 6.272 1.00 0.00 H new ATOM 0 HD3 LYS A 97 12.780 1.677 6.604 1.00 0.00 H new ATOM 0 HE2 LYS A 97 14.937 2.930 6.770 1.00 0.00 H new ATOM 0 HE3 LYS A 97 14.093 4.429 6.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 14.447 4.132 8.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 12.785 4.111 8.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 13.603 2.659 8.774 1.00 0.00 H new ATOM 1511 N HIS A 98 10.615 -0.482 5.680 1.00 0.00 N ATOM 1512 CA HIS A 98 10.070 -0.946 6.975 1.00 0.00 C ATOM 1513 C HIS A 98 10.218 -2.476 7.135 1.00 0.00 C ATOM 1514 O HIS A 98 10.252 -2.988 8.259 1.00 0.00 O ATOM 1515 CB HIS A 98 8.584 -0.510 7.123 1.00 0.00 C ATOM 1516 CG HIS A 98 8.397 0.963 7.392 1.00 0.00 C ATOM 1517 ND1 HIS A 98 7.985 1.450 8.612 1.00 0.00 N ATOM 1518 CD2 HIS A 98 8.582 2.053 6.606 1.00 0.00 C ATOM 1519 CE1 HIS A 98 7.933 2.760 8.565 1.00 0.00 C ATOM 1520 NE2 HIS A 98 8.290 3.152 7.364 1.00 0.00 N ATOM 0 H HIS A 98 9.895 -0.201 5.015 1.00 0.00 H new ATOM 0 HA HIS A 98 10.649 -0.479 7.772 1.00 0.00 H new ATOM 0 HB2 HIS A 98 8.047 -0.773 6.211 1.00 0.00 H new ATOM 0 HB3 HIS A 98 8.130 -1.077 7.935 1.00 0.00 H new ATOM 0 HD2 HIS A 98 8.901 2.052 5.574 1.00 0.00 H new ATOM 0 HE1 HIS A 98 7.644 3.408 9.379 1.00 0.00 H new ATOM 0 HE2 HIS A 98 8.341 4.120 7.048 1.00 0.00 H new ATOM 1529 N ARG A 99 10.307 -3.195 6.001 1.00 0.00 N ATOM 1530 CA ARG A 99 10.500 -4.663 5.979 1.00 0.00 C ATOM 1531 C ARG A 99 11.973 -4.984 6.310 1.00 0.00 C ATOM 1532 O ARG A 99 12.273 -5.988 6.964 1.00 0.00 O ATOM 1533 CB ARG A 99 10.054 -5.237 4.587 1.00 0.00 C ATOM 1534 CG ARG A 99 9.944 -6.786 4.477 1.00 0.00 C ATOM 1535 CD ARG A 99 11.262 -7.475 4.099 1.00 0.00 C ATOM 1536 NE ARG A 99 11.140 -8.943 4.120 1.00 0.00 N ATOM 1537 CZ ARG A 99 12.170 -9.805 4.072 1.00 0.00 C ATOM 1538 NH1 ARG A 99 13.420 -9.378 3.958 1.00 0.00 N ATOM 1539 NH2 ARG A 99 11.935 -11.104 4.127 1.00 0.00 N ATOM 0 H ARG A 99 10.248 -2.778 5.072 1.00 0.00 H new ATOM 0 HA ARG A 99 9.879 -5.144 6.735 1.00 0.00 H new ATOM 0 HB2 ARG A 99 9.084 -4.807 4.336 1.00 0.00 H new ATOM 0 HB3 ARG A 99 10.761 -4.891 3.833 1.00 0.00 H new ATOM 0 HG2 ARG A 99 9.597 -7.185 5.430 1.00 0.00 H new ATOM 0 HG3 ARG A 99 9.188 -7.035 3.733 1.00 0.00 H new ATOM 0 HD2 ARG A 99 11.569 -7.150 3.105 1.00 0.00 H new ATOM 0 HD3 ARG A 99 12.045 -7.166 4.791 1.00 0.00 H new ATOM 0 HE ARG A 99 10.200 -9.336 4.175 1.00 0.00 H new ATOM 0 HH11 ARG A 99 13.615 -8.378 3.905 1.00 0.00 H new ATOM 0 HH12 ARG A 99 14.187 -10.049 3.923 1.00 0.00 H new ATOM 0 HH21 ARG A 99 10.977 -11.446 4.205 1.00 0.00 H new ATOM 0 HH22 ARG A 99 12.711 -11.765 4.091 1.00 0.00 H new ATOM 1553 N ALA A 100 12.883 -4.095 5.868 1.00 0.00 N ATOM 1554 CA ALA A 100 14.323 -4.174 6.187 1.00 0.00 C ATOM 1555 C ALA A 100 14.628 -3.551 7.564 1.00 0.00 C ATOM 1556 O ALA A 100 15.689 -3.803 8.134 1.00 0.00 O ATOM 1557 CB ALA A 100 15.143 -3.473 5.092 1.00 0.00 C ATOM 0 H ALA A 100 12.640 -3.299 5.278 1.00 0.00 H new ATOM 0 HA ALA A 100 14.604 -5.226 6.228 1.00 0.00 H new ATOM 0 HB1 ALA A 100 16.204 -3.536 5.335 1.00 0.00 H new ATOM 0 HB2 ALA A 100 14.961 -3.959 4.134 1.00 0.00 H new ATOM 0 HB3 ALA A 100 14.847 -2.426 5.030 1.00 0.00 H new ATOM 1563 N ALA A 101 13.678 -2.711 8.052 1.00 0.00 N ATOM 1564 CA ALA A 101 13.816 -1.875 9.275 1.00 0.00 C ATOM 1565 C ALA A 101 14.923 -0.801 9.124 1.00 0.00 C ATOM 1566 O ALA A 101 15.267 -0.117 10.098 1.00 0.00 O ATOM 1567 CB ALA A 101 14.029 -2.748 10.535 1.00 0.00 C ATOM 0 H ALA A 101 12.773 -2.593 7.596 1.00 0.00 H new ATOM 0 HA ALA A 101 12.876 -1.339 9.405 1.00 0.00 H new ATOM 0 HB1 ALA A 101 14.126 -2.106 11.410 1.00 0.00 H new ATOM 0 HB2 ALA A 101 13.175 -3.413 10.666 1.00 0.00 H new ATOM 0 HB3 ALA A 101 14.936 -3.341 10.418 1.00 0.00 H new ATOM 1573 N GLY A 102 15.441 -0.641 7.878 1.00 0.00 N ATOM 1574 CA GLY A 102 16.584 0.228 7.590 1.00 0.00 C ATOM 1575 C GLY A 102 17.855 -0.185 8.338 1.00 0.00 C ATOM 1576 O GLY A 102 18.628 0.678 8.771 1.00 0.00 O ATOM 0 H GLY A 102 15.070 -1.115 7.055 1.00 0.00 H new ATOM 0 HA2 GLY A 102 16.780 0.217 6.518 1.00 0.00 H new ATOM 0 HA3 GLY A 102 16.329 1.254 7.857 1.00 0.00 H new ATOM 1580 N SER A 103 18.054 -1.511 8.497 1.00 0.00 N ATOM 1581 CA SER A 103 19.186 -2.078 9.255 1.00 0.00 C ATOM 1582 C SER A 103 20.481 -2.054 8.396 1.00 0.00 C ATOM 1583 O SER A 103 20.586 -2.859 7.443 1.00 0.00 O ATOM 1584 CB SER A 103 18.841 -3.516 9.718 1.00 0.00 C ATOM 1585 OG SER A 103 17.629 -3.533 10.454 1.00 0.00 O ATOM 1586 OXT SER A 103 21.381 -1.220 8.661 1.00 0.00 O ATOM 0 H SER A 103 17.433 -2.217 8.103 1.00 0.00 H new ATOM 0 HA SER A 103 19.367 -1.469 10.140 1.00 0.00 H new ATOM 0 HB2 SER A 103 18.754 -4.171 8.851 1.00 0.00 H new ATOM 0 HB3 SER A 103 19.651 -3.908 10.333 1.00 0.00 H new ATOM 0 HG SER A 103 16.889 -3.775 9.859 1.00 0.00 H new TER 1592 SER A 103