USER MOD reduce.3.24.130724 H: found=0, std=0, add=886, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 878 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 92 GLN : amide:sc= 0.596 K(o=0.71,f=-0.059) USER MOD Set 1.2: A 104 HIS : no HE2:sc= 0.112 K(o=0.71,f=-1.4) USER MOD Set 2.1: A 91 THR OG1 : rot -103:sc= 1.28 USER MOD Set 2.2: A 93 GLN : amide:sc= -0.059 X(o=1.2,f=1.1) USER MOD Set 3.1: A 43 SER OG : rot -73:sc= 0.794 USER MOD Set 3.2: A 44 GLN :FLIP amide:sc= -1.99! C(o=-2.9!,f=-1.2!) USER MOD Set 4.1: A 20 HIS : no HE2:sc= -0.54 K(o=-0.34,f=-2.5!) USER MOD Set 4.2: A 109 SER OG : rot 132:sc= 0.198 USER MOD Set 5.1: A 19 TYR OH : rot 180:sc= 0 USER MOD Set 5.2: A 49 TYR OH : rot 180:sc= 0 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=6.95e-05 USER MOD Single : A 10 GLN : amide:sc= -0.241 X(o=-0.24,f=-0.17) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 HIS : no HD1:sc= -0.612 K(o=-0.61,f=-1.5) USER MOD Single : A 16 GLN : amide:sc= 0.641 K(o=0.64,f=-1) USER MOD Single : A 34 HIS : no HE2:sc= 0.486 K(o=0.49,f=-3.4!) USER MOD Single : A 35 SER OG : rot 180:sc= 0.0752 USER MOD Single : A 46 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0421) USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 52 SER OG : rot -106:sc= -1.06 USER MOD Single : A 61 HIS : no HD1:sc= -0.164 X(o=-0.16,f=-0.22) USER MOD Single : A 65 GLN : amide:sc= -0.377! C(o=-0.38!,f=-3.6!) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= -0.29 X(o=-0.29,f=-0.29) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= -0.425 USER MOD Single : A 87 HIS : no HD1:sc= -0.0268 X(o=-0.027,f=-0.046) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 96 THR OG1 : rot 170:sc= 0.549 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 SER OG : rot -116:sc= 0.926 USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD Single : A 113 SER OG : rot -170:sc= -0.371 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -13.787 13.975 -8.004 1.00 0.00 N ATOM 2 CA GLY A 1 -14.776 14.985 -8.410 1.00 0.00 C ATOM 3 C GLY A 1 -15.289 14.722 -9.810 1.00 0.00 C ATOM 4 O GLY A 1 -16.006 13.749 -10.024 1.00 0.00 O ATOM 0 H1 GLY A 1 -13.454 14.182 -7.041 1.00 0.00 H new ATOM 0 H2 GLY A 1 -14.226 13.032 -8.023 1.00 0.00 H new ATOM 0 H3 GLY A 1 -12.981 13.995 -8.660 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -15.610 14.983 -7.708 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -14.325 15.976 -8.366 1.00 0.00 H new ATOM 8 N SER A 2 -14.953 15.582 -10.774 1.00 0.00 N ATOM 9 CA SER A 2 -15.408 15.470 -12.157 1.00 0.00 C ATOM 10 C SER A 2 -14.208 15.214 -13.062 1.00 0.00 C ATOM 11 O SER A 2 -14.084 14.097 -13.569 1.00 0.00 O ATOM 12 CB SER A 2 -16.231 16.698 -12.553 1.00 0.00 C ATOM 13 OG SER A 2 -17.401 16.759 -11.760 1.00 0.00 O ATOM 0 H SER A 2 -14.348 16.387 -10.611 1.00 0.00 H new ATOM 0 HA SER A 2 -16.079 14.619 -12.270 1.00 0.00 H new ATOM 0 HB2 SER A 2 -15.640 17.604 -12.418 1.00 0.00 H new ATOM 0 HB3 SER A 2 -16.497 16.645 -13.609 1.00 0.00 H new ATOM 0 HG SER A 2 -17.927 17.546 -12.013 1.00 0.00 H new ATOM 19 N SER A 3 -13.285 16.174 -13.214 1.00 0.00 N ATOM 20 CA SER A 3 -12.056 15.956 -13.977 1.00 0.00 C ATOM 21 C SER A 3 -11.286 14.755 -13.423 1.00 0.00 C ATOM 22 O SER A 3 -10.779 13.955 -14.203 1.00 0.00 O ATOM 23 CB SER A 3 -11.184 17.217 -13.958 1.00 0.00 C ATOM 24 OG SER A 3 -10.084 17.096 -14.844 1.00 0.00 O ATOM 0 H SER A 3 -13.370 17.109 -12.816 1.00 0.00 H new ATOM 0 HA SER A 3 -12.324 15.740 -15.011 1.00 0.00 H new ATOM 0 HB2 SER A 3 -11.786 18.082 -14.238 1.00 0.00 H new ATOM 0 HB3 SER A 3 -10.821 17.395 -12.946 1.00 0.00 H new ATOM 0 HG SER A 3 -9.547 17.915 -14.812 1.00 0.00 H new ATOM 30 N GLY A 4 -11.231 14.607 -12.096 1.00 0.00 N ATOM 31 CA GLY A 4 -10.524 13.517 -11.443 1.00 0.00 C ATOM 32 C GLY A 4 -9.010 13.628 -11.616 1.00 0.00 C ATOM 33 O GLY A 4 -8.502 14.514 -12.318 1.00 0.00 O ATOM 0 H GLY A 4 -11.682 15.250 -11.445 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -10.768 13.513 -10.381 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -10.866 12.567 -11.852 1.00 0.00 H new ATOM 37 N SER A 5 -8.295 12.729 -10.947 1.00 0.00 N ATOM 38 CA SER A 5 -6.843 12.722 -10.882 1.00 0.00 C ATOM 39 C SER A 5 -6.282 11.303 -11.000 1.00 0.00 C ATOM 40 O SER A 5 -7.018 10.310 -10.987 1.00 0.00 O ATOM 41 CB SER A 5 -6.388 13.470 -9.619 1.00 0.00 C ATOM 42 OG SER A 5 -6.883 14.804 -9.649 1.00 0.00 O ATOM 0 H SER A 5 -8.724 11.966 -10.422 1.00 0.00 H new ATOM 0 HA SER A 5 -6.431 13.255 -11.739 1.00 0.00 H new ATOM 0 HB2 SER A 5 -6.752 12.956 -8.729 1.00 0.00 H new ATOM 0 HB3 SER A 5 -5.300 13.477 -9.560 1.00 0.00 H new ATOM 0 HG SER A 5 -6.593 15.279 -8.842 1.00 0.00 H new ATOM 48 N SER A 6 -4.963 11.238 -11.174 1.00 0.00 N ATOM 49 CA SER A 6 -4.200 10.082 -11.621 1.00 0.00 C ATOM 50 C SER A 6 -2.799 10.143 -11.005 1.00 0.00 C ATOM 51 O SER A 6 -2.384 9.219 -10.302 1.00 0.00 O ATOM 52 CB SER A 6 -4.138 10.093 -13.162 1.00 0.00 C ATOM 53 OG SER A 6 -3.901 11.405 -13.670 1.00 0.00 O ATOM 0 H SER A 6 -4.364 12.044 -10.994 1.00 0.00 H new ATOM 0 HA SER A 6 -4.675 9.154 -11.301 1.00 0.00 H new ATOM 0 HB2 SER A 6 -3.347 9.423 -13.499 1.00 0.00 H new ATOM 0 HB3 SER A 6 -5.074 9.709 -13.567 1.00 0.00 H new ATOM 0 HG SER A 6 -3.866 11.375 -14.649 1.00 0.00 H new ATOM 59 N GLY A 7 -2.089 11.248 -11.251 1.00 0.00 N ATOM 60 CA GLY A 7 -0.794 11.565 -10.683 1.00 0.00 C ATOM 61 C GLY A 7 -1.018 12.133 -9.291 1.00 0.00 C ATOM 62 O GLY A 7 -1.299 13.321 -9.133 1.00 0.00 O ATOM 0 H GLY A 7 -2.426 11.974 -11.883 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -0.170 10.672 -10.635 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -0.270 12.287 -11.309 1.00 0.00 H new ATOM 66 N GLU A 8 -0.930 11.277 -8.277 1.00 0.00 N ATOM 67 CA GLU A 8 -1.310 11.570 -6.897 1.00 0.00 C ATOM 68 C GLU A 8 -0.170 11.228 -5.925 1.00 0.00 C ATOM 69 O GLU A 8 -0.365 11.217 -4.714 1.00 0.00 O ATOM 70 CB GLU A 8 -2.640 10.851 -6.568 1.00 0.00 C ATOM 71 CG GLU A 8 -3.802 11.366 -7.440 1.00 0.00 C ATOM 72 CD GLU A 8 -5.139 10.673 -7.155 1.00 0.00 C ATOM 73 OE1 GLU A 8 -5.727 10.908 -6.074 1.00 0.00 O ATOM 74 OE2 GLU A 8 -5.687 9.988 -8.052 1.00 0.00 O ATOM 0 H GLU A 8 -0.580 10.327 -8.397 1.00 0.00 H new ATOM 0 HA GLU A 8 -1.482 12.640 -6.777 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -2.520 9.778 -6.719 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -2.882 10.999 -5.516 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -3.917 12.438 -7.280 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -3.547 11.226 -8.490 1.00 0.00 H new ATOM 81 N VAL A 9 1.034 10.949 -6.432 1.00 0.00 N ATOM 82 CA VAL A 9 2.180 10.476 -5.669 1.00 0.00 C ATOM 83 C VAL A 9 2.578 11.505 -4.613 1.00 0.00 C ATOM 84 O VAL A 9 2.850 11.170 -3.461 1.00 0.00 O ATOM 85 CB VAL A 9 3.361 10.243 -6.635 1.00 0.00 C ATOM 86 CG1 VAL A 9 4.508 9.583 -5.885 1.00 0.00 C ATOM 87 CG2 VAL A 9 2.989 9.407 -7.869 1.00 0.00 C ATOM 0 H VAL A 9 1.240 11.052 -7.426 1.00 0.00 H new ATOM 0 HA VAL A 9 1.918 9.545 -5.166 1.00 0.00 H new ATOM 0 HB VAL A 9 3.661 11.222 -7.009 1.00 0.00 H new ATOM 0 HG11 VAL A 9 5.342 9.418 -6.567 1.00 0.00 H new ATOM 0 HG12 VAL A 9 4.829 10.230 -5.069 1.00 0.00 H new ATOM 0 HG13 VAL A 9 4.176 8.627 -5.481 1.00 0.00 H new ATOM 0 HG21 VAL A 9 3.867 9.284 -8.503 1.00 0.00 H new ATOM 0 HG22 VAL A 9 2.631 8.428 -7.551 1.00 0.00 H new ATOM 0 HG23 VAL A 9 2.205 9.915 -8.430 1.00 0.00 H new ATOM 97 N GLN A 10 2.681 12.761 -5.050 1.00 0.00 N ATOM 98 CA GLN A 10 3.251 13.834 -4.261 1.00 0.00 C ATOM 99 C GLN A 10 2.195 14.408 -3.296 1.00 0.00 C ATOM 100 O GLN A 10 2.519 15.264 -2.465 1.00 0.00 O ATOM 101 CB GLN A 10 3.810 14.916 -5.205 1.00 0.00 C ATOM 102 CG GLN A 10 4.678 14.428 -6.379 1.00 0.00 C ATOM 103 CD GLN A 10 6.026 13.841 -5.982 1.00 0.00 C ATOM 104 OE1 GLN A 10 6.809 14.474 -5.278 1.00 0.00 O ATOM 105 NE2 GLN A 10 6.371 12.662 -6.470 1.00 0.00 N ATOM 0 H GLN A 10 2.365 13.057 -5.974 1.00 0.00 H new ATOM 0 HA GLN A 10 4.071 13.452 -3.653 1.00 0.00 H new ATOM 0 HB2 GLN A 10 2.970 15.478 -5.613 1.00 0.00 H new ATOM 0 HB3 GLN A 10 4.401 15.613 -4.611 1.00 0.00 H new ATOM 0 HG2 GLN A 10 4.120 13.675 -6.935 1.00 0.00 H new ATOM 0 HG3 GLN A 10 4.848 15.264 -7.057 1.00 0.00 H new ATOM 0 HE21 GLN A 10 5.717 12.141 -7.054 1.00 0.00 H new ATOM 0 HE22 GLN A 10 7.291 12.274 -6.263 1.00 0.00 H new ATOM 114 N LYS A 11 0.929 13.983 -3.404 1.00 0.00 N ATOM 115 CA LYS A 11 -0.132 14.336 -2.460 1.00 0.00 C ATOM 116 C LYS A 11 0.152 13.706 -1.101 1.00 0.00 C ATOM 117 O LYS A 11 0.915 12.735 -1.024 1.00 0.00 O ATOM 118 CB LYS A 11 -1.499 13.869 -2.991 1.00 0.00 C ATOM 119 CG LYS A 11 -1.915 14.657 -4.234 1.00 0.00 C ATOM 120 CD LYS A 11 -3.434 14.652 -4.427 1.00 0.00 C ATOM 121 CE LYS A 11 -3.770 15.516 -5.643 1.00 0.00 C ATOM 122 NZ LYS A 11 -5.210 15.815 -5.711 1.00 0.00 N ATOM 0 H LYS A 11 0.612 13.377 -4.160 1.00 0.00 H new ATOM 0 HA LYS A 11 -0.158 15.420 -2.348 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -1.454 12.807 -3.230 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -2.253 13.989 -2.213 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -1.563 15.685 -4.148 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -1.435 14.228 -5.114 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -3.794 13.634 -4.574 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -3.930 15.040 -3.538 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -3.206 16.447 -5.596 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -3.461 15.002 -6.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -5.403 16.402 -6.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -5.746 14.927 -5.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -5.499 16.328 -4.853 1.00 0.00 H new ATOM 136 N PRO A 12 -0.485 14.189 -0.020 1.00 0.00 N ATOM 137 CA PRO A 12 -0.423 13.499 1.250 1.00 0.00 C ATOM 138 C PRO A 12 -1.060 12.123 1.105 1.00 0.00 C ATOM 139 O PRO A 12 -1.852 11.854 0.196 1.00 0.00 O ATOM 140 CB PRO A 12 -1.180 14.377 2.250 1.00 0.00 C ATOM 141 CG PRO A 12 -2.156 15.159 1.382 1.00 0.00 C ATOM 142 CD PRO A 12 -1.399 15.318 0.067 1.00 0.00 C ATOM 0 HA PRO A 12 0.600 13.342 1.592 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -1.701 13.776 2.996 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -0.505 15.041 2.790 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -3.094 14.621 1.245 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -2.404 16.124 1.824 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -2.087 15.327 -0.778 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -0.854 16.262 0.044 1.00 0.00 H new ATOM 150 N LEU A 13 -0.768 11.262 2.071 1.00 0.00 N ATOM 151 CA LEU A 13 -1.451 9.987 2.219 1.00 0.00 C ATOM 152 C LEU A 13 -2.959 10.202 2.382 1.00 0.00 C ATOM 153 O LEU A 13 -3.755 9.435 1.851 1.00 0.00 O ATOM 154 CB LEU A 13 -0.808 9.267 3.402 1.00 0.00 C ATOM 155 CG LEU A 13 -1.251 7.800 3.575 1.00 0.00 C ATOM 156 CD1 LEU A 13 -0.205 7.091 4.441 1.00 0.00 C ATOM 157 CD2 LEU A 13 -2.554 7.616 4.334 1.00 0.00 C ATOM 0 H LEU A 13 -0.049 11.430 2.775 1.00 0.00 H new ATOM 0 HA LEU A 13 -1.344 9.365 1.330 1.00 0.00 H new ATOM 0 HB2 LEU A 13 0.275 9.295 3.283 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -1.042 9.814 4.315 1.00 0.00 H new ATOM 0 HG LEU A 13 -1.370 7.410 2.564 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -0.494 6.049 4.580 1.00 0.00 H new ATOM 0 HD12 LEU A 13 0.766 7.136 3.948 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -0.142 7.583 5.412 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -2.786 6.553 4.407 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -2.454 8.035 5.335 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -3.358 8.128 3.805 1.00 0.00 H new ATOM 169 N HIS A 14 -3.354 11.281 3.060 1.00 0.00 N ATOM 170 CA HIS A 14 -4.743 11.535 3.400 1.00 0.00 C ATOM 171 C HIS A 14 -5.598 11.980 2.189 1.00 0.00 C ATOM 172 O HIS A 14 -6.758 12.340 2.376 1.00 0.00 O ATOM 173 CB HIS A 14 -4.806 12.526 4.581 1.00 0.00 C ATOM 174 CG HIS A 14 -4.462 13.966 4.294 1.00 0.00 C ATOM 175 ND1 HIS A 14 -5.231 14.839 3.559 1.00 0.00 N ATOM 176 CD2 HIS A 14 -3.438 14.688 4.850 1.00 0.00 C ATOM 177 CE1 HIS A 14 -4.649 16.046 3.613 1.00 0.00 C ATOM 178 NE2 HIS A 14 -3.553 16.006 4.393 1.00 0.00 N ATOM 0 H HIS A 14 -2.712 12.003 3.387 1.00 0.00 H new ATOM 0 HA HIS A 14 -5.196 10.594 3.713 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -5.815 12.496 4.993 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -4.133 12.167 5.359 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -2.680 14.309 5.519 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -5.009 16.927 3.102 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -2.929 16.783 4.609 1.00 0.00 H new ATOM 186 N GLU A 15 -5.063 11.992 0.962 1.00 0.00 N ATOM 187 CA GLU A 15 -5.751 12.399 -0.276 1.00 0.00 C ATOM 188 C GLU A 15 -5.646 11.329 -1.371 1.00 0.00 C ATOM 189 O GLU A 15 -5.986 11.606 -2.525 1.00 0.00 O ATOM 190 CB GLU A 15 -5.161 13.739 -0.775 1.00 0.00 C ATOM 191 CG GLU A 15 -5.664 14.979 -0.026 1.00 0.00 C ATOM 192 CD GLU A 15 -7.088 15.400 -0.411 1.00 0.00 C ATOM 193 OE1 GLU A 15 -7.890 14.555 -0.865 1.00 0.00 O ATOM 194 OE2 GLU A 15 -7.414 16.602 -0.276 1.00 0.00 O ATOM 0 H GLU A 15 -4.098 11.707 0.794 1.00 0.00 H new ATOM 0 HA GLU A 15 -6.810 12.523 -0.050 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -4.075 13.696 -0.691 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -5.394 13.851 -1.834 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -5.630 14.783 1.046 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -4.985 15.809 -0.220 1.00 0.00 H new ATOM 201 N GLN A 16 -5.147 10.138 -1.031 1.00 0.00 N ATOM 202 CA GLN A 16 -4.941 9.030 -1.958 1.00 0.00 C ATOM 203 C GLN A 16 -6.243 8.447 -2.531 1.00 0.00 C ATOM 204 O GLN A 16 -7.307 9.067 -2.494 1.00 0.00 O ATOM 205 CB GLN A 16 -4.050 7.993 -1.242 1.00 0.00 C ATOM 206 CG GLN A 16 -2.636 8.557 -1.025 1.00 0.00 C ATOM 207 CD GLN A 16 -1.955 9.032 -2.304 1.00 0.00 C ATOM 208 OE1 GLN A 16 -1.928 8.335 -3.314 1.00 0.00 O ATOM 209 NE2 GLN A 16 -1.384 10.223 -2.283 1.00 0.00 N ATOM 0 H GLN A 16 -4.868 9.915 -0.076 1.00 0.00 H new ATOM 0 HA GLN A 16 -4.435 9.390 -2.854 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -4.492 7.725 -0.282 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -3.997 7.080 -1.834 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -2.692 9.390 -0.324 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -2.017 7.790 -0.559 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -1.416 10.789 -1.435 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -0.911 10.577 -3.115 1.00 0.00 H new ATOM 218 N LEU A 17 -6.124 7.272 -3.153 1.00 0.00 N ATOM 219 CA LEU A 17 -7.233 6.448 -3.632 1.00 0.00 C ATOM 220 C LEU A 17 -7.278 5.119 -2.899 1.00 0.00 C ATOM 221 O LEU A 17 -8.365 4.632 -2.615 1.00 0.00 O ATOM 222 CB LEU A 17 -7.175 6.141 -5.138 1.00 0.00 C ATOM 223 CG LEU A 17 -5.783 6.086 -5.807 1.00 0.00 C ATOM 224 CD1 LEU A 17 -5.832 5.291 -7.113 1.00 0.00 C ATOM 225 CD2 LEU A 17 -5.226 7.489 -6.085 1.00 0.00 C ATOM 0 H LEU A 17 -5.214 6.852 -3.344 1.00 0.00 H new ATOM 0 HA LEU A 17 -8.125 7.043 -3.436 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -7.665 5.181 -5.304 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -7.767 6.895 -5.657 1.00 0.00 H new ATOM 0 HG LEU A 17 -5.118 5.584 -5.104 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -4.839 5.268 -7.563 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -6.160 4.272 -6.907 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -6.531 5.765 -7.802 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -4.246 7.405 -6.555 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -5.903 8.024 -6.750 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -5.132 8.036 -5.147 1.00 0.00 H new ATOM 237 N TRP A 18 -6.108 4.535 -2.647 1.00 0.00 N ATOM 238 CA TRP A 18 -5.884 3.238 -2.008 1.00 0.00 C ATOM 239 C TRP A 18 -5.842 3.297 -0.473 1.00 0.00 C ATOM 240 O TRP A 18 -5.520 2.311 0.201 1.00 0.00 O ATOM 241 CB TRP A 18 -4.605 2.647 -2.571 1.00 0.00 C ATOM 242 CG TRP A 18 -3.478 3.605 -2.798 1.00 0.00 C ATOM 243 CD1 TRP A 18 -3.033 4.031 -4.002 1.00 0.00 C ATOM 244 CD2 TRP A 18 -2.628 4.244 -1.804 1.00 0.00 C ATOM 245 NE1 TRP A 18 -1.912 4.804 -3.827 1.00 0.00 N ATOM 246 CE2 TRP A 18 -1.612 4.956 -2.497 1.00 0.00 C ATOM 247 CE3 TRP A 18 -2.592 4.288 -0.395 1.00 0.00 C ATOM 248 CZ2 TRP A 18 -0.580 5.613 -1.832 1.00 0.00 C ATOM 249 CZ3 TRP A 18 -1.576 4.976 0.291 1.00 0.00 C ATOM 250 CH2 TRP A 18 -0.551 5.616 -0.426 1.00 0.00 C ATOM 0 H TRP A 18 -5.230 4.987 -2.902 1.00 0.00 H new ATOM 0 HA TRP A 18 -6.738 2.600 -2.236 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -4.260 1.867 -1.892 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -4.840 2.163 -3.519 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -3.489 3.799 -4.953 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -1.371 5.213 -4.589 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -3.362 3.782 0.169 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 0.193 6.117 -2.393 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -1.583 5.013 1.370 1.00 0.00 H new ATOM 0 HH2 TRP A 18 0.254 6.107 0.100 1.00 0.00 H new ATOM 261 N TYR A 19 -6.093 4.470 0.092 1.00 0.00 N ATOM 262 CA TYR A 19 -6.244 4.659 1.517 1.00 0.00 C ATOM 263 C TYR A 19 -7.734 4.547 1.890 1.00 0.00 C ATOM 264 O TYR A 19 -8.501 5.484 1.668 1.00 0.00 O ATOM 265 CB TYR A 19 -5.581 5.986 1.901 1.00 0.00 C ATOM 266 CG TYR A 19 -5.561 6.214 3.396 1.00 0.00 C ATOM 267 CD1 TYR A 19 -5.039 5.209 4.229 1.00 0.00 C ATOM 268 CD2 TYR A 19 -6.038 7.410 3.960 1.00 0.00 C ATOM 269 CE1 TYR A 19 -5.037 5.363 5.620 1.00 0.00 C ATOM 270 CE2 TYR A 19 -6.002 7.591 5.356 1.00 0.00 C ATOM 271 CZ TYR A 19 -5.517 6.559 6.196 1.00 0.00 C ATOM 272 OH TYR A 19 -5.507 6.673 7.553 1.00 0.00 O ATOM 0 H TYR A 19 -6.198 5.331 -0.444 1.00 0.00 H new ATOM 0 HA TYR A 19 -5.740 3.884 2.094 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -4.559 6.001 1.521 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -6.112 6.807 1.419 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -4.635 4.308 3.791 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -6.431 8.189 3.324 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -4.669 4.568 6.252 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -6.345 8.520 5.787 1.00 0.00 H new ATOM 0 HH TYR A 19 -5.864 7.549 7.810 1.00 0.00 H new ATOM 282 N HIS A 20 -8.159 3.383 2.398 1.00 0.00 N ATOM 283 CA HIS A 20 -9.513 3.157 2.918 1.00 0.00 C ATOM 284 C HIS A 20 -9.624 3.631 4.379 1.00 0.00 C ATOM 285 O HIS A 20 -10.732 3.773 4.893 1.00 0.00 O ATOM 286 CB HIS A 20 -9.867 1.654 2.882 1.00 0.00 C ATOM 287 CG HIS A 20 -10.411 1.104 1.606 1.00 0.00 C ATOM 288 ND1 HIS A 20 -11.728 0.822 1.340 1.00 0.00 N ATOM 289 CD2 HIS A 20 -9.654 0.652 0.567 1.00 0.00 C ATOM 290 CE1 HIS A 20 -11.773 0.290 0.111 1.00 0.00 C ATOM 291 NE2 HIS A 20 -10.535 0.166 -0.410 1.00 0.00 N ATOM 0 H HIS A 20 -7.562 2.559 2.460 1.00 0.00 H new ATOM 0 HA HIS A 20 -10.199 3.722 2.287 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -8.969 1.091 3.135 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -10.596 1.461 3.669 1.00 0.00 H new ATOM 0 HD1 HIS A 20 -12.521 0.986 1.960 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -8.576 0.666 0.507 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -12.681 -0.001 -0.396 1.00 0.00 H new ATOM 299 N GLY A 21 -8.503 3.833 5.079 1.00 0.00 N ATOM 300 CA GLY A 21 -8.438 4.167 6.470 1.00 0.00 C ATOM 301 C GLY A 21 -8.242 2.899 7.257 1.00 0.00 C ATOM 302 O GLY A 21 -7.510 1.981 6.878 1.00 0.00 O ATOM 0 H GLY A 21 -7.580 3.760 4.651 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -7.616 4.859 6.655 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -9.354 4.669 6.782 1.00 0.00 H new ATOM 306 N ALA A 22 -8.834 2.907 8.427 1.00 0.00 N ATOM 307 CA ALA A 22 -8.664 1.901 9.453 1.00 0.00 C ATOM 308 C ALA A 22 -9.615 0.729 9.243 1.00 0.00 C ATOM 309 O ALA A 22 -10.703 0.712 9.822 1.00 0.00 O ATOM 310 CB ALA A 22 -8.839 2.541 10.826 1.00 0.00 C ATOM 0 H ALA A 22 -9.477 3.648 8.704 1.00 0.00 H new ATOM 0 HA ALA A 22 -7.655 1.493 9.390 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -8.711 1.784 11.599 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -8.094 3.325 10.959 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -9.837 2.972 10.902 1.00 0.00 H new ATOM 316 N ILE A 23 -9.181 -0.270 8.477 1.00 0.00 N ATOM 317 CA ILE A 23 -10.000 -1.409 8.045 1.00 0.00 C ATOM 318 C ILE A 23 -9.458 -2.726 8.648 1.00 0.00 C ATOM 319 O ILE A 23 -8.240 -2.861 8.819 1.00 0.00 O ATOM 320 CB ILE A 23 -10.191 -1.432 6.495 1.00 0.00 C ATOM 321 CG1 ILE A 23 -9.697 -2.732 5.823 1.00 0.00 C ATOM 322 CG2 ILE A 23 -9.590 -0.225 5.757 1.00 0.00 C ATOM 323 CD1 ILE A 23 -10.024 -2.872 4.340 1.00 0.00 C ATOM 0 H ILE A 23 -8.224 -0.314 8.128 1.00 0.00 H new ATOM 0 HA ILE A 23 -11.009 -1.293 8.441 1.00 0.00 H new ATOM 0 HB ILE A 23 -11.275 -1.378 6.395 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -8.616 -2.795 5.946 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -10.128 -3.581 6.354 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -9.770 -0.326 4.687 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -10.056 0.692 6.118 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -8.517 -0.183 5.942 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -9.632 -3.819 3.969 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -11.105 -2.847 4.202 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -9.569 -2.050 3.788 1.00 0.00 H new ATOM 335 N PRO A 24 -10.323 -3.719 8.934 1.00 0.00 N ATOM 336 CA PRO A 24 -9.936 -5.039 9.428 1.00 0.00 C ATOM 337 C PRO A 24 -9.348 -5.917 8.321 1.00 0.00 C ATOM 338 O PRO A 24 -9.555 -5.672 7.137 1.00 0.00 O ATOM 339 CB PRO A 24 -11.242 -5.667 9.919 1.00 0.00 C ATOM 340 CG PRO A 24 -12.291 -5.059 9.004 1.00 0.00 C ATOM 341 CD PRO A 24 -11.768 -3.648 8.769 1.00 0.00 C ATOM 0 HA PRO A 24 -9.171 -4.955 10.200 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -11.220 -6.754 9.839 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -11.434 -5.428 10.965 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -12.383 -5.615 8.071 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -13.277 -5.051 9.470 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -12.029 -3.297 7.771 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -12.207 -2.947 9.479 1.00 0.00 H new ATOM 349 N ARG A 25 -8.697 -7.027 8.677 1.00 0.00 N ATOM 350 CA ARG A 25 -8.234 -8.003 7.686 1.00 0.00 C ATOM 351 C ARG A 25 -9.394 -8.630 6.924 1.00 0.00 C ATOM 352 O ARG A 25 -9.209 -9.052 5.787 1.00 0.00 O ATOM 353 CB ARG A 25 -7.343 -9.081 8.333 1.00 0.00 C ATOM 354 CG ARG A 25 -8.091 -10.188 9.103 1.00 0.00 C ATOM 355 CD ARG A 25 -7.090 -11.161 9.730 1.00 0.00 C ATOM 356 NE ARG A 25 -7.761 -12.282 10.410 1.00 0.00 N ATOM 357 CZ ARG A 25 -7.240 -13.484 10.680 1.00 0.00 C ATOM 358 NH1 ARG A 25 -5.958 -13.739 10.435 1.00 0.00 N ATOM 359 NH2 ARG A 25 -8.006 -14.430 11.214 1.00 0.00 N ATOM 0 H ARG A 25 -8.479 -7.273 9.643 1.00 0.00 H new ATOM 0 HA ARG A 25 -7.626 -7.461 6.961 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -6.743 -9.548 7.552 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -6.650 -8.592 9.017 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -8.714 -9.744 9.880 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -8.757 -10.725 8.428 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -6.429 -11.550 8.955 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -6.464 -10.626 10.444 1.00 0.00 H new ATOM 0 HE ARG A 25 -8.724 -12.125 10.706 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -5.361 -13.014 10.037 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -5.572 -14.659 10.645 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -8.987 -14.238 11.416 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -7.613 -15.348 11.421 1.00 0.00 H new ATOM 373 N ALA A 26 -10.562 -8.724 7.554 1.00 0.00 N ATOM 374 CA ALA A 26 -11.707 -9.428 7.014 1.00 0.00 C ATOM 375 C ALA A 26 -12.269 -8.729 5.777 1.00 0.00 C ATOM 376 O ALA A 26 -12.660 -9.398 4.826 1.00 0.00 O ATOM 377 CB ALA A 26 -12.745 -9.538 8.130 1.00 0.00 C ATOM 0 H ALA A 26 -10.736 -8.305 8.467 1.00 0.00 H new ATOM 0 HA ALA A 26 -11.414 -10.423 6.679 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -13.624 -10.064 7.759 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -12.320 -10.089 8.969 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -13.032 -8.539 8.459 1.00 0.00 H new ATOM 383 N GLU A 27 -12.267 -7.400 5.772 1.00 0.00 N ATOM 384 CA GLU A 27 -12.782 -6.592 4.669 1.00 0.00 C ATOM 385 C GLU A 27 -11.927 -6.775 3.413 1.00 0.00 C ATOM 386 O GLU A 27 -12.440 -6.843 2.303 1.00 0.00 O ATOM 387 CB GLU A 27 -12.764 -5.128 5.128 1.00 0.00 C ATOM 388 CG GLU A 27 -14.016 -4.750 5.920 1.00 0.00 C ATOM 389 CD GLU A 27 -15.269 -4.648 5.053 1.00 0.00 C ATOM 390 OE1 GLU A 27 -15.405 -3.623 4.342 1.00 0.00 O ATOM 391 OE2 GLU A 27 -16.122 -5.554 5.185 1.00 0.00 O ATOM 0 H GLU A 27 -11.902 -6.844 6.546 1.00 0.00 H new ATOM 0 HA GLU A 27 -13.795 -6.901 4.413 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -11.882 -4.954 5.744 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -12.678 -4.478 4.257 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -14.182 -5.492 6.701 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -13.848 -3.795 6.418 1.00 0.00 H new ATOM 398 N VAL A 28 -10.614 -6.884 3.599 1.00 0.00 N ATOM 399 CA VAL A 28 -9.601 -6.848 2.557 1.00 0.00 C ATOM 400 C VAL A 28 -9.966 -7.687 1.334 1.00 0.00 C ATOM 401 O VAL A 28 -10.031 -7.129 0.246 1.00 0.00 O ATOM 402 CB VAL A 28 -8.245 -7.253 3.151 1.00 0.00 C ATOM 403 CG1 VAL A 28 -7.165 -7.274 2.083 1.00 0.00 C ATOM 404 CG2 VAL A 28 -7.784 -6.290 4.249 1.00 0.00 C ATOM 0 H VAL A 28 -10.212 -7.006 4.528 1.00 0.00 H new ATOM 0 HA VAL A 28 -9.537 -5.825 2.187 1.00 0.00 H new ATOM 0 HB VAL A 28 -8.390 -8.247 3.573 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -6.215 -7.564 2.532 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -7.434 -7.991 1.308 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -7.070 -6.282 1.642 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -6.820 -6.617 4.639 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -7.686 -5.286 3.835 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -8.517 -6.280 5.055 1.00 0.00 H new ATOM 414 N ALA A 29 -10.130 -9.007 1.450 1.00 0.00 N ATOM 415 CA ALA A 29 -10.241 -9.844 0.246 1.00 0.00 C ATOM 416 C ALA A 29 -11.499 -9.561 -0.588 1.00 0.00 C ATOM 417 O ALA A 29 -11.583 -10.018 -1.720 1.00 0.00 O ATOM 418 CB ALA A 29 -10.238 -11.327 0.585 1.00 0.00 C ATOM 0 H ALA A 29 -10.188 -9.510 2.335 1.00 0.00 H new ATOM 0 HA ALA A 29 -9.363 -9.582 -0.344 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -10.322 -11.910 -0.332 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -9.308 -11.582 1.094 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -11.082 -11.553 1.237 1.00 0.00 H new ATOM 424 N GLU A 30 -12.505 -8.883 -0.039 1.00 0.00 N ATOM 425 CA GLU A 30 -13.651 -8.404 -0.806 1.00 0.00 C ATOM 426 C GLU A 30 -13.259 -7.203 -1.674 1.00 0.00 C ATOM 427 O GLU A 30 -13.864 -6.944 -2.714 1.00 0.00 O ATOM 428 CB GLU A 30 -14.778 -8.067 0.185 1.00 0.00 C ATOM 429 CG GLU A 30 -15.821 -7.058 -0.339 1.00 0.00 C ATOM 430 CD GLU A 30 -16.989 -6.845 0.610 1.00 0.00 C ATOM 431 OE1 GLU A 30 -17.277 -7.737 1.448 1.00 0.00 O ATOM 432 OE2 GLU A 30 -17.659 -5.789 0.496 1.00 0.00 O ATOM 0 H GLU A 30 -12.548 -8.650 0.953 1.00 0.00 H new ATOM 0 HA GLU A 30 -14.002 -9.173 -1.494 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -15.291 -8.989 0.458 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -14.334 -7.668 1.097 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -15.331 -6.101 -0.519 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -16.202 -7.407 -1.299 1.00 0.00 H new ATOM 439 N LEU A 31 -12.279 -6.424 -1.224 1.00 0.00 N ATOM 440 CA LEU A 31 -11.803 -5.227 -1.887 1.00 0.00 C ATOM 441 C LEU A 31 -10.789 -5.619 -2.951 1.00 0.00 C ATOM 442 O LEU A 31 -10.801 -5.050 -4.047 1.00 0.00 O ATOM 443 CB LEU A 31 -11.156 -4.291 -0.854 1.00 0.00 C ATOM 444 CG LEU A 31 -12.112 -3.887 0.288 1.00 0.00 C ATOM 445 CD1 LEU A 31 -11.371 -3.127 1.375 1.00 0.00 C ATOM 446 CD2 LEU A 31 -13.223 -2.989 -0.247 1.00 0.00 C ATOM 0 H LEU A 31 -11.781 -6.621 -0.356 1.00 0.00 H new ATOM 0 HA LEU A 31 -12.636 -4.706 -2.359 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -10.280 -4.781 -0.429 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -10.804 -3.391 -1.359 1.00 0.00 H new ATOM 0 HG LEU A 31 -12.532 -4.803 0.704 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -12.068 -2.854 2.168 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -10.582 -3.757 1.786 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -10.931 -2.224 0.952 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -13.891 -2.711 0.569 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -12.786 -2.090 -0.681 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -13.787 -3.524 -1.011 1.00 0.00 H new ATOM 458 N LEU A 32 -9.905 -6.565 -2.617 1.00 0.00 N ATOM 459 CA LEU A 32 -8.845 -7.041 -3.480 1.00 0.00 C ATOM 460 C LEU A 32 -9.327 -8.291 -4.214 1.00 0.00 C ATOM 461 O LEU A 32 -9.534 -9.330 -3.586 1.00 0.00 O ATOM 462 CB LEU A 32 -7.564 -7.376 -2.698 1.00 0.00 C ATOM 463 CG LEU A 32 -7.180 -6.574 -1.450 1.00 0.00 C ATOM 464 CD1 LEU A 32 -5.838 -7.081 -0.947 1.00 0.00 C ATOM 465 CD2 LEU A 32 -7.075 -5.071 -1.664 1.00 0.00 C ATOM 0 H LEU A 32 -9.917 -7.028 -1.708 1.00 0.00 H new ATOM 0 HA LEU A 32 -8.603 -6.244 -4.183 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -7.635 -8.422 -2.399 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -6.731 -7.300 -3.397 1.00 0.00 H new ATOM 0 HG LEU A 32 -7.986 -6.724 -0.732 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -5.548 -6.521 -0.058 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -5.919 -8.139 -0.699 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -5.084 -6.946 -1.723 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -6.799 -4.588 -0.726 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -6.315 -4.863 -2.417 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -8.036 -4.684 -2.002 1.00 0.00 H new ATOM 477 N VAL A 33 -9.467 -8.216 -5.531 1.00 0.00 N ATOM 478 CA VAL A 33 -9.911 -9.327 -6.373 1.00 0.00 C ATOM 479 C VAL A 33 -8.840 -9.648 -7.413 1.00 0.00 C ATOM 480 O VAL A 33 -8.690 -10.803 -7.824 1.00 0.00 O ATOM 481 CB VAL A 33 -11.253 -8.966 -7.051 1.00 0.00 C ATOM 482 CG1 VAL A 33 -11.933 -10.209 -7.642 1.00 0.00 C ATOM 483 CG2 VAL A 33 -12.236 -8.267 -6.100 1.00 0.00 C ATOM 0 H VAL A 33 -9.272 -7.365 -6.058 1.00 0.00 H new ATOM 0 HA VAL A 33 -10.066 -10.213 -5.757 1.00 0.00 H new ATOM 0 HB VAL A 33 -10.998 -8.268 -7.849 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -12.874 -9.921 -8.111 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -11.279 -10.661 -8.388 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -12.129 -10.929 -6.847 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -13.159 -8.039 -6.634 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -12.456 -8.923 -5.258 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -11.791 -7.342 -5.733 1.00 0.00 H new ATOM 493 N HIS A 34 -8.088 -8.638 -7.853 1.00 0.00 N ATOM 494 CA HIS A 34 -7.032 -8.795 -8.833 1.00 0.00 C ATOM 495 C HIS A 34 -5.766 -9.147 -8.076 1.00 0.00 C ATOM 496 O HIS A 34 -5.462 -8.524 -7.057 1.00 0.00 O ATOM 497 CB HIS A 34 -6.855 -7.495 -9.626 1.00 0.00 C ATOM 498 CG HIS A 34 -8.181 -6.869 -10.012 1.00 0.00 C ATOM 499 ND1 HIS A 34 -8.626 -5.639 -9.584 1.00 0.00 N ATOM 500 CD2 HIS A 34 -9.267 -7.541 -10.513 1.00 0.00 C ATOM 501 CE1 HIS A 34 -9.951 -5.581 -9.785 1.00 0.00 C ATOM 502 NE2 HIS A 34 -10.383 -6.706 -10.383 1.00 0.00 N ATOM 0 H HIS A 34 -8.203 -7.678 -7.529 1.00 0.00 H new ATOM 0 HA HIS A 34 -7.273 -9.582 -9.548 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -6.280 -6.785 -9.031 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -6.276 -7.698 -10.527 1.00 0.00 H new ATOM 0 HD1 HIS A 34 -8.048 -4.900 -9.183 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -9.262 -8.536 -10.933 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -10.581 -4.749 -9.506 1.00 0.00 H new ATOM 510 N SER A 35 -4.994 -10.105 -8.574 1.00 0.00 N ATOM 511 CA SER A 35 -3.695 -10.458 -8.034 1.00 0.00 C ATOM 512 C SER A 35 -2.696 -9.323 -8.273 1.00 0.00 C ATOM 513 O SER A 35 -1.940 -9.316 -9.248 1.00 0.00 O ATOM 514 CB SER A 35 -3.246 -11.780 -8.646 1.00 0.00 C ATOM 515 OG SER A 35 -3.660 -11.959 -9.992 1.00 0.00 O ATOM 0 H SER A 35 -5.263 -10.668 -9.381 1.00 0.00 H new ATOM 0 HA SER A 35 -3.755 -10.595 -6.954 1.00 0.00 H new ATOM 0 HB2 SER A 35 -2.159 -11.840 -8.599 1.00 0.00 H new ATOM 0 HB3 SER A 35 -3.637 -12.600 -8.043 1.00 0.00 H new ATOM 0 HG SER A 35 -3.337 -12.824 -10.321 1.00 0.00 H new ATOM 521 N GLY A 36 -2.725 -8.331 -7.398 1.00 0.00 N ATOM 522 CA GLY A 36 -2.074 -7.058 -7.592 1.00 0.00 C ATOM 523 C GLY A 36 -2.779 -5.895 -6.916 1.00 0.00 C ATOM 524 O GLY A 36 -2.129 -4.863 -6.739 1.00 0.00 O ATOM 0 H GLY A 36 -3.219 -8.398 -6.508 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -1.054 -7.121 -7.213 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -2.005 -6.856 -8.661 1.00 0.00 H new ATOM 528 N ASP A 37 -4.068 -6.045 -6.586 1.00 0.00 N ATOM 529 CA ASP A 37 -4.889 -5.068 -5.870 1.00 0.00 C ATOM 530 C ASP A 37 -4.271 -4.826 -4.508 1.00 0.00 C ATOM 531 O ASP A 37 -3.971 -5.796 -3.809 1.00 0.00 O ATOM 532 CB ASP A 37 -6.311 -5.595 -5.632 1.00 0.00 C ATOM 533 CG ASP A 37 -7.319 -5.289 -6.738 1.00 0.00 C ATOM 534 OD1 ASP A 37 -7.098 -4.400 -7.579 1.00 0.00 O ATOM 535 OD2 ASP A 37 -8.375 -5.950 -6.725 1.00 0.00 O ATOM 0 H ASP A 37 -4.588 -6.890 -6.823 1.00 0.00 H new ATOM 0 HA ASP A 37 -4.934 -4.160 -6.472 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -6.262 -6.676 -5.498 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -6.684 -5.175 -4.698 1.00 0.00 H new ATOM 540 N PHE A 38 -4.146 -3.561 -4.101 1.00 0.00 N ATOM 541 CA PHE A 38 -3.596 -3.170 -2.816 1.00 0.00 C ATOM 542 C PHE A 38 -4.405 -2.040 -2.162 1.00 0.00 C ATOM 543 O PHE A 38 -5.076 -1.265 -2.850 1.00 0.00 O ATOM 544 CB PHE A 38 -2.113 -2.811 -3.004 1.00 0.00 C ATOM 545 CG PHE A 38 -1.809 -1.626 -3.900 1.00 0.00 C ATOM 546 CD1 PHE A 38 -2.100 -0.317 -3.473 1.00 0.00 C ATOM 547 CD2 PHE A 38 -1.147 -1.827 -5.129 1.00 0.00 C ATOM 548 CE1 PHE A 38 -1.681 0.777 -4.238 1.00 0.00 C ATOM 549 CE2 PHE A 38 -0.828 -0.730 -5.947 1.00 0.00 C ATOM 550 CZ PHE A 38 -1.083 0.571 -5.486 1.00 0.00 C ATOM 0 H PHE A 38 -4.433 -2.767 -4.674 1.00 0.00 H new ATOM 0 HA PHE A 38 -3.666 -4.006 -2.121 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -1.683 -2.614 -2.022 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -1.600 -3.684 -3.408 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -2.646 -0.157 -2.555 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -0.885 -2.827 -5.442 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -1.819 1.781 -3.865 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -0.390 -0.886 -6.922 1.00 0.00 H new ATOM 0 HZ PHE A 38 -0.816 1.419 -6.099 1.00 0.00 H new ATOM 560 N LEU A 39 -4.310 -1.925 -0.827 1.00 0.00 N ATOM 561 CA LEU A 39 -4.856 -0.859 0.015 1.00 0.00 C ATOM 562 C LEU A 39 -3.954 -0.680 1.248 1.00 0.00 C ATOM 563 O LEU A 39 -3.097 -1.539 1.512 1.00 0.00 O ATOM 564 CB LEU A 39 -6.325 -1.151 0.350 1.00 0.00 C ATOM 565 CG LEU A 39 -6.611 -2.201 1.443 1.00 0.00 C ATOM 566 CD1 LEU A 39 -6.687 -1.622 2.843 1.00 0.00 C ATOM 567 CD2 LEU A 39 -7.950 -2.876 1.164 1.00 0.00 C ATOM 0 H LEU A 39 -3.815 -2.625 -0.274 1.00 0.00 H new ATOM 0 HA LEU A 39 -4.859 0.094 -0.514 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -6.794 -0.214 0.652 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -6.821 -1.475 -0.565 1.00 0.00 H new ATOM 0 HG LEU A 39 -5.775 -2.899 1.408 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -6.891 -2.421 3.556 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -5.738 -1.146 3.092 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -7.487 -0.883 2.888 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -8.151 -3.618 1.937 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -8.742 -2.127 1.165 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -7.915 -3.366 0.191 1.00 0.00 H new ATOM 579 N VAL A 40 -4.092 0.424 1.989 1.00 0.00 N ATOM 580 CA VAL A 40 -3.175 0.794 3.087 1.00 0.00 C ATOM 581 C VAL A 40 -3.982 0.975 4.363 1.00 0.00 C ATOM 582 O VAL A 40 -4.462 2.069 4.652 1.00 0.00 O ATOM 583 CB VAL A 40 -2.362 2.058 2.720 1.00 0.00 C ATOM 584 CG1 VAL A 40 -1.467 2.547 3.873 1.00 0.00 C ATOM 585 CG2 VAL A 40 -1.471 1.763 1.510 1.00 0.00 C ATOM 0 H VAL A 40 -4.847 1.095 1.848 1.00 0.00 H new ATOM 0 HA VAL A 40 -2.449 -0.002 3.251 1.00 0.00 H new ATOM 0 HB VAL A 40 -3.085 2.843 2.498 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -0.921 3.436 3.558 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -2.086 2.789 4.737 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -0.759 1.763 4.142 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -0.899 2.655 1.253 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -0.786 0.950 1.752 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -2.092 1.474 0.662 1.00 0.00 H new ATOM 595 N ARG A 41 -4.267 -0.119 5.062 1.00 0.00 N ATOM 596 CA ARG A 41 -5.199 -0.076 6.186 1.00 0.00 C ATOM 597 C ARG A 41 -4.453 0.335 7.441 1.00 0.00 C ATOM 598 O ARG A 41 -3.248 0.117 7.519 1.00 0.00 O ATOM 599 CB ARG A 41 -5.923 -1.418 6.361 1.00 0.00 C ATOM 600 CG ARG A 41 -4.947 -2.514 6.783 1.00 0.00 C ATOM 601 CD ARG A 41 -5.527 -3.919 6.706 1.00 0.00 C ATOM 602 NE ARG A 41 -5.989 -4.424 8.006 1.00 0.00 N ATOM 603 CZ ARG A 41 -5.640 -5.606 8.528 1.00 0.00 C ATOM 604 NH1 ARG A 41 -5.015 -6.524 7.791 1.00 0.00 N ATOM 605 NH2 ARG A 41 -5.892 -5.876 9.800 1.00 0.00 N ATOM 0 H ARG A 41 -3.870 -1.040 4.873 1.00 0.00 H new ATOM 0 HA ARG A 41 -5.971 0.666 5.984 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -6.708 -1.317 7.110 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -6.408 -1.698 5.426 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -4.061 -2.462 6.150 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -4.620 -2.322 7.805 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -6.361 -3.923 6.004 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -4.771 -4.596 6.308 1.00 0.00 H new ATOM 0 HE ARG A 41 -6.619 -3.833 8.548 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -4.796 -6.331 6.814 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -4.756 -7.420 8.204 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -6.354 -5.182 10.387 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -5.624 -6.778 10.193 1.00 0.00 H new ATOM 619 N GLU A 42 -5.147 0.843 8.448 1.00 0.00 N ATOM 620 CA GLU A 42 -4.556 0.973 9.780 1.00 0.00 C ATOM 621 C GLU A 42 -4.628 -0.368 10.514 1.00 0.00 C ATOM 622 O GLU A 42 -5.368 -1.282 10.130 1.00 0.00 O ATOM 623 CB GLU A 42 -5.204 2.136 10.547 1.00 0.00 C ATOM 624 CG GLU A 42 -4.388 2.610 11.762 1.00 0.00 C ATOM 625 CD GLU A 42 -4.862 2.077 13.119 1.00 0.00 C ATOM 626 OE1 GLU A 42 -5.997 2.391 13.556 1.00 0.00 O ATOM 627 OE2 GLU A 42 -4.051 1.403 13.791 1.00 0.00 O ATOM 0 H GLU A 42 -6.110 1.170 8.375 1.00 0.00 H new ATOM 0 HA GLU A 42 -3.499 1.225 9.697 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -5.344 2.975 9.865 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -6.195 1.830 10.883 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -3.348 2.316 11.618 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -4.410 3.699 11.791 1.00 0.00 H new ATOM 634 N SER A 43 -3.848 -0.478 11.585 1.00 0.00 N ATOM 635 CA SER A 43 -3.907 -1.538 12.565 1.00 0.00 C ATOM 636 C SER A 43 -5.261 -1.565 13.283 1.00 0.00 C ATOM 637 O SER A 43 -6.181 -0.791 13.010 1.00 0.00 O ATOM 638 CB SER A 43 -2.739 -1.364 13.556 1.00 0.00 C ATOM 639 OG SER A 43 -2.042 -2.578 13.811 1.00 0.00 O ATOM 0 H SER A 43 -3.124 0.208 11.796 1.00 0.00 H new ATOM 0 HA SER A 43 -3.809 -2.500 12.062 1.00 0.00 H new ATOM 0 HB2 SER A 43 -2.041 -0.627 13.160 1.00 0.00 H new ATOM 0 HB3 SER A 43 -3.123 -0.967 14.496 1.00 0.00 H new ATOM 0 HG SER A 43 -2.591 -3.157 14.380 1.00 0.00 H new ATOM 645 N GLN A 44 -5.375 -2.497 14.228 1.00 0.00 N ATOM 646 CA GLN A 44 -6.483 -2.601 15.157 1.00 0.00 C ATOM 647 C GLN A 44 -6.361 -1.524 16.247 1.00 0.00 C ATOM 648 O GLN A 44 -6.237 -1.849 17.426 1.00 0.00 O ATOM 649 CB GLN A 44 -6.610 -4.039 15.709 1.00 0.00 C ATOM 650 CG GLN A 44 -5.338 -4.686 16.304 1.00 0.00 C ATOM 651 CD GLN A 44 -4.325 -5.104 15.239 1.00 0.00 C ATOM 652 OE1 GLN A 44 -3.064 -4.728 15.354 1.00 0.00 O flip ATOM 653 NE2 GLN A 44 -4.659 -5.750 14.251 1.00 0.00 N flip ATOM 0 H GLN A 44 -4.671 -3.222 14.367 1.00 0.00 H new ATOM 0 HA GLN A 44 -7.419 -2.407 14.634 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -7.380 -4.037 16.481 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -6.968 -4.679 14.903 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -4.866 -3.982 16.990 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -5.622 -5.560 16.890 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -5.628 -6.051 14.142 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -3.968 -5.986 13.539 1.00 0.00 H new ATOM 662 N GLY A 45 -6.393 -0.247 15.867 1.00 0.00 N ATOM 663 CA GLY A 45 -6.341 0.865 16.802 1.00 0.00 C ATOM 664 C GLY A 45 -4.943 1.036 17.384 1.00 0.00 C ATOM 665 O GLY A 45 -4.757 0.954 18.599 1.00 0.00 O ATOM 0 H GLY A 45 -6.456 0.042 14.891 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -6.641 1.783 16.296 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -7.055 0.698 17.609 1.00 0.00 H new ATOM 669 N LYS A 46 -3.958 1.295 16.526 1.00 0.00 N ATOM 670 CA LYS A 46 -2.615 1.753 16.871 1.00 0.00 C ATOM 671 C LYS A 46 -2.343 3.001 16.032 1.00 0.00 C ATOM 672 O LYS A 46 -3.268 3.755 15.736 1.00 0.00 O ATOM 673 CB LYS A 46 -1.577 0.626 16.669 1.00 0.00 C ATOM 674 CG LYS A 46 -1.858 -0.672 17.448 1.00 0.00 C ATOM 675 CD LYS A 46 -1.826 -0.503 18.976 1.00 0.00 C ATOM 676 CE LYS A 46 -0.482 -0.811 19.644 1.00 0.00 C ATOM 677 NZ LYS A 46 0.599 0.150 19.334 1.00 0.00 N ATOM 0 H LYS A 46 -4.082 1.185 15.520 1.00 0.00 H new ATOM 0 HA LYS A 46 -2.534 2.014 17.926 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -1.524 0.389 15.606 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -0.596 1.001 16.961 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -2.836 -1.055 17.155 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -1.122 -1.423 17.160 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -2.105 0.523 19.217 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -2.586 -1.151 19.412 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -0.627 -0.838 20.724 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -0.161 -1.808 19.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 1.444 -0.086 19.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 0.828 0.100 18.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 0.286 1.113 19.571 1.00 0.00 H new ATOM 691 N GLN A 47 -1.084 3.275 15.699 1.00 0.00 N ATOM 692 CA GLN A 47 -0.677 4.433 14.906 1.00 0.00 C ATOM 693 C GLN A 47 0.213 3.932 13.769 1.00 0.00 C ATOM 694 O GLN A 47 1.301 4.461 13.529 1.00 0.00 O ATOM 695 CB GLN A 47 0.010 5.470 15.809 1.00 0.00 C ATOM 696 CG GLN A 47 -0.888 5.922 16.972 1.00 0.00 C ATOM 697 CD GLN A 47 -0.177 6.883 17.914 1.00 0.00 C ATOM 698 OE1 GLN A 47 0.953 6.628 18.325 1.00 0.00 O ATOM 699 NE2 GLN A 47 -0.812 7.969 18.317 1.00 0.00 N ATOM 0 H GLN A 47 -0.301 2.685 15.979 1.00 0.00 H new ATOM 0 HA GLN A 47 -1.534 4.942 14.465 1.00 0.00 H new ATOM 0 HB2 GLN A 47 0.931 5.046 16.209 1.00 0.00 H new ATOM 0 HB3 GLN A 47 0.291 6.338 15.212 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -1.781 6.403 16.572 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -1.220 5.048 17.532 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -1.749 8.170 17.969 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -0.365 8.606 18.976 1.00 0.00 H new ATOM 708 N GLU A 48 -0.194 2.822 13.153 1.00 0.00 N ATOM 709 CA GLU A 48 0.636 2.014 12.281 1.00 0.00 C ATOM 710 C GLU A 48 -0.245 1.442 11.183 1.00 0.00 C ATOM 711 O GLU A 48 -1.328 0.935 11.469 1.00 0.00 O ATOM 712 CB GLU A 48 1.239 0.883 13.120 1.00 0.00 C ATOM 713 CG GLU A 48 2.038 -0.172 12.345 1.00 0.00 C ATOM 714 CD GLU A 48 3.404 0.345 11.906 1.00 0.00 C ATOM 715 OE1 GLU A 48 3.479 1.420 11.272 1.00 0.00 O ATOM 716 OE2 GLU A 48 4.408 -0.303 12.276 1.00 0.00 O ATOM 0 H GLU A 48 -1.140 2.455 13.255 1.00 0.00 H new ATOM 0 HA GLU A 48 1.436 2.602 11.831 1.00 0.00 H new ATOM 0 HB2 GLU A 48 1.891 1.324 13.874 1.00 0.00 H new ATOM 0 HB3 GLU A 48 0.431 0.381 13.652 1.00 0.00 H new ATOM 0 HG2 GLU A 48 2.170 -1.056 12.969 1.00 0.00 H new ATOM 0 HG3 GLU A 48 1.470 -0.483 11.468 1.00 0.00 H new ATOM 723 N TYR A 49 0.227 1.495 9.946 1.00 0.00 N ATOM 724 CA TYR A 49 -0.493 0.973 8.799 1.00 0.00 C ATOM 725 C TYR A 49 -0.012 -0.434 8.437 1.00 0.00 C ATOM 726 O TYR A 49 1.061 -0.888 8.836 1.00 0.00 O ATOM 727 CB TYR A 49 -0.365 1.945 7.625 1.00 0.00 C ATOM 728 CG TYR A 49 -0.938 3.323 7.874 1.00 0.00 C ATOM 729 CD1 TYR A 49 -2.311 3.495 8.127 1.00 0.00 C ATOM 730 CD2 TYR A 49 -0.079 4.433 7.871 1.00 0.00 C ATOM 731 CE1 TYR A 49 -2.813 4.769 8.453 1.00 0.00 C ATOM 732 CE2 TYR A 49 -0.578 5.711 8.151 1.00 0.00 C ATOM 733 CZ TYR A 49 -1.940 5.880 8.480 1.00 0.00 C ATOM 734 OH TYR A 49 -2.381 7.102 8.879 1.00 0.00 O ATOM 0 H TYR A 49 1.130 1.906 9.710 1.00 0.00 H new ATOM 0 HA TYR A 49 -1.550 0.883 9.052 1.00 0.00 H new ATOM 0 HB2 TYR A 49 0.690 2.047 7.370 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -0.863 1.512 6.757 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -2.980 2.649 8.071 1.00 0.00 H new ATOM 0 HD2 TYR A 49 0.970 4.301 7.652 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -3.861 4.897 8.682 1.00 0.00 H new ATOM 0 HE2 TYR A 49 0.079 6.567 8.115 1.00 0.00 H new ATOM 0 HH TYR A 49 -1.644 7.746 8.835 1.00 0.00 H new ATOM 744 N VAL A 50 -0.804 -1.128 7.630 1.00 0.00 N ATOM 745 CA VAL A 50 -0.584 -2.470 7.136 1.00 0.00 C ATOM 746 C VAL A 50 -0.837 -2.401 5.639 1.00 0.00 C ATOM 747 O VAL A 50 -1.913 -1.997 5.189 1.00 0.00 O ATOM 748 CB VAL A 50 -1.561 -3.444 7.820 1.00 0.00 C ATOM 749 CG1 VAL A 50 -1.535 -4.842 7.177 1.00 0.00 C ATOM 750 CG2 VAL A 50 -1.281 -3.641 9.308 1.00 0.00 C ATOM 0 H VAL A 50 -1.678 -0.734 7.282 1.00 0.00 H new ATOM 0 HA VAL A 50 0.423 -2.830 7.347 1.00 0.00 H new ATOM 0 HB VAL A 50 -2.535 -2.972 7.689 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -2.240 -5.493 7.693 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -1.815 -4.765 6.126 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -0.531 -5.260 7.255 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -2.007 -4.339 9.726 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -0.276 -4.041 9.439 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -1.360 -2.684 9.823 1.00 0.00 H new ATOM 760 N LEU A 51 0.148 -2.813 4.856 1.00 0.00 N ATOM 761 CA LEU A 51 -0.052 -3.039 3.446 1.00 0.00 C ATOM 762 C LEU A 51 -0.870 -4.302 3.295 1.00 0.00 C ATOM 763 O LEU A 51 -0.502 -5.347 3.841 1.00 0.00 O ATOM 764 CB LEU A 51 1.286 -3.222 2.726 1.00 0.00 C ATOM 765 CG LEU A 51 1.103 -2.970 1.227 1.00 0.00 C ATOM 766 CD1 LEU A 51 1.258 -1.486 0.947 1.00 0.00 C ATOM 767 CD2 LEU A 51 2.129 -3.743 0.423 1.00 0.00 C ATOM 0 H LEU A 51 1.097 -2.997 5.182 1.00 0.00 H new ATOM 0 HA LEU A 51 -0.560 -2.180 3.007 1.00 0.00 H new ATOM 0 HB2 LEU A 51 2.026 -2.533 3.133 1.00 0.00 H new ATOM 0 HB3 LEU A 51 1.664 -4.231 2.892 1.00 0.00 H new ATOM 0 HG LEU A 51 0.108 -3.305 0.935 1.00 0.00 H new ATOM 0 HD11 LEU A 51 1.129 -1.301 -0.119 1.00 0.00 H new ATOM 0 HD12 LEU A 51 0.505 -0.930 1.506 1.00 0.00 H new ATOM 0 HD13 LEU A 51 2.252 -1.160 1.254 1.00 0.00 H new ATOM 0 HD21 LEU A 51 1.980 -3.549 -0.639 1.00 0.00 H new ATOM 0 HD22 LEU A 51 3.131 -3.427 0.713 1.00 0.00 H new ATOM 0 HD23 LEU A 51 2.015 -4.810 0.617 1.00 0.00 H new ATOM 779 N SER A 52 -1.968 -4.209 2.559 1.00 0.00 N ATOM 780 CA SER A 52 -2.809 -5.342 2.246 1.00 0.00 C ATOM 781 C SER A 52 -2.921 -5.387 0.735 1.00 0.00 C ATOM 782 O SER A 52 -3.522 -4.499 0.142 1.00 0.00 O ATOM 783 CB SER A 52 -4.146 -5.176 2.957 1.00 0.00 C ATOM 784 OG SER A 52 -3.877 -5.054 4.334 1.00 0.00 O ATOM 0 H SER A 52 -2.299 -3.331 2.160 1.00 0.00 H new ATOM 0 HA SER A 52 -2.402 -6.292 2.591 1.00 0.00 H new ATOM 0 HB2 SER A 52 -4.670 -4.294 2.588 1.00 0.00 H new ATOM 0 HB3 SER A 52 -4.791 -6.033 2.766 1.00 0.00 H new ATOM 0 HG SER A 52 -4.127 -5.884 4.791 1.00 0.00 H new ATOM 790 N VAL A 53 -2.277 -6.376 0.124 1.00 0.00 N ATOM 791 CA VAL A 53 -2.231 -6.626 -1.304 1.00 0.00 C ATOM 792 C VAL A 53 -2.592 -8.098 -1.528 1.00 0.00 C ATOM 793 O VAL A 53 -2.295 -8.933 -0.667 1.00 0.00 O ATOM 794 CB VAL A 53 -0.855 -6.189 -1.851 1.00 0.00 C ATOM 795 CG1 VAL A 53 0.315 -6.755 -1.033 1.00 0.00 C ATOM 796 CG2 VAL A 53 -0.643 -6.525 -3.334 1.00 0.00 C ATOM 0 H VAL A 53 -1.741 -7.066 0.651 1.00 0.00 H new ATOM 0 HA VAL A 53 -2.956 -6.038 -1.867 1.00 0.00 H new ATOM 0 HB VAL A 53 -0.866 -5.104 -1.753 1.00 0.00 H new ATOM 0 HG11 VAL A 53 1.257 -6.415 -1.463 1.00 0.00 H new ATOM 0 HG12 VAL A 53 0.240 -6.408 -0.003 1.00 0.00 H new ATOM 0 HG13 VAL A 53 0.279 -7.844 -1.052 1.00 0.00 H new ATOM 0 HG21 VAL A 53 0.345 -6.188 -3.646 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -0.721 -7.603 -3.478 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -1.403 -6.023 -3.933 1.00 0.00 H new ATOM 806 N LEU A 54 -3.294 -8.412 -2.617 1.00 0.00 N ATOM 807 CA LEU A 54 -3.705 -9.765 -2.982 1.00 0.00 C ATOM 808 C LEU A 54 -2.638 -10.294 -3.917 1.00 0.00 C ATOM 809 O LEU A 54 -2.361 -9.665 -4.936 1.00 0.00 O ATOM 810 CB LEU A 54 -5.064 -9.728 -3.694 1.00 0.00 C ATOM 811 CG LEU A 54 -5.765 -11.093 -3.836 1.00 0.00 C ATOM 812 CD1 LEU A 54 -6.538 -11.443 -2.573 1.00 0.00 C ATOM 813 CD2 LEU A 54 -6.684 -11.132 -5.053 1.00 0.00 C ATOM 0 H LEU A 54 -3.601 -7.709 -3.289 1.00 0.00 H new ATOM 0 HA LEU A 54 -3.811 -10.401 -2.103 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -5.724 -9.053 -3.149 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -4.924 -9.304 -4.688 1.00 0.00 H new ATOM 0 HG LEU A 54 -4.986 -11.841 -3.984 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -7.023 -12.411 -2.700 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -5.852 -11.489 -1.727 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -7.294 -10.680 -2.386 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -7.160 -12.111 -5.119 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -7.450 -10.362 -4.956 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -6.100 -10.951 -5.956 1.00 0.00 H new ATOM 825 N TRP A 55 -2.026 -11.423 -3.592 1.00 0.00 N ATOM 826 CA TRP A 55 -0.959 -11.986 -4.397 1.00 0.00 C ATOM 827 C TRP A 55 -1.272 -13.453 -4.595 1.00 0.00 C ATOM 828 O TRP A 55 -1.342 -14.185 -3.617 1.00 0.00 O ATOM 829 CB TRP A 55 0.397 -11.737 -3.728 1.00 0.00 C ATOM 830 CG TRP A 55 1.529 -11.711 -4.705 1.00 0.00 C ATOM 831 CD1 TRP A 55 2.593 -12.543 -4.710 1.00 0.00 C ATOM 832 CD2 TRP A 55 1.698 -10.836 -5.863 1.00 0.00 C ATOM 833 NE1 TRP A 55 3.376 -12.280 -5.818 1.00 0.00 N ATOM 834 CE2 TRP A 55 2.870 -11.242 -6.567 1.00 0.00 C ATOM 835 CE3 TRP A 55 0.988 -9.733 -6.385 1.00 0.00 C ATOM 836 CZ2 TRP A 55 3.311 -10.597 -7.729 1.00 0.00 C ATOM 837 CZ3 TRP A 55 1.420 -9.082 -7.555 1.00 0.00 C ATOM 838 CH2 TRP A 55 2.563 -9.530 -8.240 1.00 0.00 C ATOM 0 H TRP A 55 -2.257 -11.972 -2.764 1.00 0.00 H new ATOM 0 HA TRP A 55 -0.893 -11.510 -5.375 1.00 0.00 H new ATOM 0 HB2 TRP A 55 0.364 -10.788 -3.192 1.00 0.00 H new ATOM 0 HB3 TRP A 55 0.580 -12.515 -2.987 1.00 0.00 H new ATOM 0 HD1 TRP A 55 2.800 -13.296 -3.964 1.00 0.00 H new ATOM 0 HE1 TRP A 55 4.226 -12.793 -6.052 1.00 0.00 H new ATOM 0 HE3 TRP A 55 0.100 -9.384 -5.879 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 4.216 -10.918 -8.224 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 0.869 -8.232 -7.930 1.00 0.00 H new ATOM 0 HH2 TRP A 55 2.864 -9.051 -9.160 1.00 0.00 H new ATOM 849 N ASP A 56 -1.545 -13.857 -5.837 1.00 0.00 N ATOM 850 CA ASP A 56 -2.039 -15.191 -6.179 1.00 0.00 C ATOM 851 C ASP A 56 -3.227 -15.603 -5.295 1.00 0.00 C ATOM 852 O ASP A 56 -3.234 -16.666 -4.666 1.00 0.00 O ATOM 853 CB ASP A 56 -0.886 -16.206 -6.166 1.00 0.00 C ATOM 854 CG ASP A 56 -1.270 -17.549 -6.787 1.00 0.00 C ATOM 855 OD1 ASP A 56 -2.217 -17.601 -7.606 1.00 0.00 O ATOM 856 OD2 ASP A 56 -0.524 -18.533 -6.573 1.00 0.00 O ATOM 0 H ASP A 56 -1.426 -13.253 -6.650 1.00 0.00 H new ATOM 0 HA ASP A 56 -2.431 -15.170 -7.196 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -0.036 -15.790 -6.708 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -0.561 -16.366 -5.138 1.00 0.00 H new ATOM 861 N GLY A 57 -4.238 -14.728 -5.237 1.00 0.00 N ATOM 862 CA GLY A 57 -5.502 -14.965 -4.545 1.00 0.00 C ATOM 863 C GLY A 57 -5.342 -15.114 -3.035 1.00 0.00 C ATOM 864 O GLY A 57 -6.156 -15.769 -2.386 1.00 0.00 O ATOM 0 H GLY A 57 -4.194 -13.812 -5.684 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -6.182 -14.139 -4.752 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -5.965 -15.867 -4.946 1.00 0.00 H new ATOM 868 N LEU A 58 -4.284 -14.519 -2.488 1.00 0.00 N ATOM 869 CA LEU A 58 -3.944 -14.522 -1.078 1.00 0.00 C ATOM 870 C LEU A 58 -3.744 -13.069 -0.667 1.00 0.00 C ATOM 871 O LEU A 58 -2.735 -12.463 -1.037 1.00 0.00 O ATOM 872 CB LEU A 58 -2.723 -15.403 -0.814 1.00 0.00 C ATOM 873 CG LEU A 58 -1.919 -15.059 0.450 1.00 0.00 C ATOM 874 CD1 LEU A 58 -2.708 -15.256 1.740 1.00 0.00 C ATOM 875 CD2 LEU A 58 -0.664 -15.921 0.441 1.00 0.00 C ATOM 0 H LEU A 58 -3.611 -13.997 -3.049 1.00 0.00 H new ATOM 0 HA LEU A 58 -4.740 -14.956 -0.472 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -3.053 -16.439 -0.742 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -2.058 -15.339 -1.675 1.00 0.00 H new ATOM 0 HG LEU A 58 -1.669 -13.998 0.430 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -2.082 -14.995 2.593 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -3.590 -14.616 1.728 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -3.017 -16.298 1.822 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -0.067 -15.703 1.326 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -0.946 -16.974 0.443 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -0.080 -15.704 -0.453 1.00 0.00 H new ATOM 887 N PRO A 59 -4.663 -12.494 0.114 1.00 0.00 N ATOM 888 CA PRO A 59 -4.512 -11.162 0.673 1.00 0.00 C ATOM 889 C PRO A 59 -3.425 -11.168 1.757 1.00 0.00 C ATOM 890 O PRO A 59 -3.720 -11.232 2.956 1.00 0.00 O ATOM 891 CB PRO A 59 -5.914 -10.783 1.169 1.00 0.00 C ATOM 892 CG PRO A 59 -6.502 -12.130 1.555 1.00 0.00 C ATOM 893 CD PRO A 59 -5.893 -13.113 0.577 1.00 0.00 C ATOM 0 HA PRO A 59 -4.169 -10.414 -0.042 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -5.873 -10.100 2.017 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -6.500 -10.292 0.392 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -6.253 -12.390 2.584 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -7.590 -12.122 1.482 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -5.693 -14.071 1.058 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -6.570 -13.309 -0.254 1.00 0.00 H new ATOM 901 N ARG A 60 -2.146 -11.068 1.376 1.00 0.00 N ATOM 902 CA ARG A 60 -1.066 -10.877 2.324 1.00 0.00 C ATOM 903 C ARG A 60 -1.229 -9.587 3.100 1.00 0.00 C ATOM 904 O ARG A 60 -1.851 -8.634 2.642 1.00 0.00 O ATOM 905 CB ARG A 60 0.247 -10.787 1.563 1.00 0.00 C ATOM 906 CG ARG A 60 0.658 -12.102 0.911 1.00 0.00 C ATOM 907 CD ARG A 60 1.001 -13.078 2.057 1.00 0.00 C ATOM 908 NE ARG A 60 2.289 -13.772 1.936 1.00 0.00 N ATOM 909 CZ ARG A 60 2.998 -14.223 2.986 1.00 0.00 C ATOM 910 NH1 ARG A 60 2.605 -14.013 4.242 1.00 0.00 N ATOM 911 NH2 ARG A 60 4.136 -14.855 2.764 1.00 0.00 N ATOM 0 H ARG A 60 -1.842 -11.118 0.404 1.00 0.00 H new ATOM 0 HA ARG A 60 -1.078 -11.718 3.017 1.00 0.00 H new ATOM 0 HB2 ARG A 60 0.161 -10.019 0.794 1.00 0.00 H new ATOM 0 HB3 ARG A 60 1.034 -10.467 2.246 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -0.150 -12.497 0.295 1.00 0.00 H new ATOM 0 HG3 ARG A 60 1.517 -11.957 0.256 1.00 0.00 H new ATOM 0 HD2 ARG A 60 0.994 -12.524 2.996 1.00 0.00 H new ATOM 0 HD3 ARG A 60 0.211 -13.826 2.122 1.00 0.00 H new ATOM 0 HE ARG A 60 2.668 -13.921 1.001 1.00 0.00 H new ATOM 0 HH11 ARG A 60 1.745 -13.498 4.428 1.00 0.00 H new ATOM 0 HH12 ARG A 60 3.165 -14.368 5.018 1.00 0.00 H new ATOM 0 HH21 ARG A 60 4.464 -14.994 1.808 1.00 0.00 H new ATOM 0 HH22 ARG A 60 4.687 -15.204 3.548 1.00 0.00 H new ATOM 925 N HIS A 61 -0.615 -9.555 4.266 1.00 0.00 N ATOM 926 CA HIS A 61 -0.630 -8.437 5.185 1.00 0.00 C ATOM 927 C HIS A 61 0.825 -8.223 5.601 1.00 0.00 C ATOM 928 O HIS A 61 1.412 -9.065 6.290 1.00 0.00 O ATOM 929 CB HIS A 61 -1.610 -8.706 6.353 1.00 0.00 C ATOM 930 CG HIS A 61 -1.242 -9.875 7.236 1.00 0.00 C ATOM 931 ND1 HIS A 61 -0.572 -9.781 8.434 1.00 0.00 N ATOM 932 CD2 HIS A 61 -1.351 -11.203 6.925 1.00 0.00 C ATOM 933 CE1 HIS A 61 -0.203 -11.016 8.798 1.00 0.00 C ATOM 934 NE2 HIS A 61 -0.650 -11.920 7.906 1.00 0.00 N ATOM 0 H HIS A 61 -0.068 -10.343 4.613 1.00 0.00 H new ATOM 0 HA HIS A 61 -1.006 -7.517 4.738 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -1.672 -7.809 6.970 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -2.604 -8.879 5.941 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -1.879 -11.622 6.081 1.00 0.00 H new ATOM 0 HE1 HIS A 61 0.371 -11.253 9.681 1.00 0.00 H new ATOM 0 HE2 HIS A 61 -0.507 -12.929 7.937 1.00 0.00 H new ATOM 942 N PHE A 62 1.441 -7.131 5.158 1.00 0.00 N ATOM 943 CA PHE A 62 2.789 -6.742 5.554 1.00 0.00 C ATOM 944 C PHE A 62 2.683 -5.368 6.210 1.00 0.00 C ATOM 945 O PHE A 62 2.332 -4.411 5.523 1.00 0.00 O ATOM 946 CB PHE A 62 3.728 -6.715 4.333 1.00 0.00 C ATOM 947 CG PHE A 62 3.751 -7.953 3.447 1.00 0.00 C ATOM 948 CD1 PHE A 62 4.599 -9.046 3.717 1.00 0.00 C ATOM 949 CD2 PHE A 62 2.952 -7.976 2.290 1.00 0.00 C ATOM 950 CE1 PHE A 62 4.648 -10.141 2.829 1.00 0.00 C ATOM 951 CE2 PHE A 62 3.012 -9.065 1.407 1.00 0.00 C ATOM 952 CZ PHE A 62 3.865 -10.157 1.661 1.00 0.00 C ATOM 0 H PHE A 62 1.009 -6.480 4.502 1.00 0.00 H new ATOM 0 HA PHE A 62 3.214 -7.461 6.255 1.00 0.00 H new ATOM 0 HB2 PHE A 62 3.453 -5.861 3.714 1.00 0.00 H new ATOM 0 HB3 PHE A 62 4.742 -6.536 4.690 1.00 0.00 H new ATOM 0 HD1 PHE A 62 5.213 -9.045 4.606 1.00 0.00 H new ATOM 0 HD2 PHE A 62 2.288 -7.150 2.080 1.00 0.00 H new ATOM 0 HE1 PHE A 62 5.295 -10.977 3.049 1.00 0.00 H new ATOM 0 HE2 PHE A 62 2.396 -9.066 0.520 1.00 0.00 H new ATOM 0 HZ PHE A 62 3.916 -10.988 0.974 1.00 0.00 H new ATOM 962 N ILE A 63 2.969 -5.253 7.512 1.00 0.00 N ATOM 963 CA ILE A 63 3.023 -3.964 8.212 1.00 0.00 C ATOM 964 C ILE A 63 3.851 -2.972 7.390 1.00 0.00 C ATOM 965 O ILE A 63 4.879 -3.346 6.807 1.00 0.00 O ATOM 966 CB ILE A 63 3.556 -4.150 9.650 1.00 0.00 C ATOM 967 CG1 ILE A 63 2.449 -4.721 10.558 1.00 0.00 C ATOM 968 CG2 ILE A 63 4.104 -2.856 10.266 1.00 0.00 C ATOM 969 CD1 ILE A 63 1.470 -3.675 11.121 1.00 0.00 C ATOM 0 H ILE A 63 3.170 -6.053 8.112 1.00 0.00 H new ATOM 0 HA ILE A 63 2.020 -3.549 8.310 1.00 0.00 H new ATOM 0 HB ILE A 63 4.389 -4.850 9.580 1.00 0.00 H new ATOM 0 HG12 ILE A 63 1.882 -5.461 9.994 1.00 0.00 H new ATOM 0 HG13 ILE A 63 2.917 -5.245 11.391 1.00 0.00 H new ATOM 0 HG21 ILE A 63 4.462 -3.057 11.276 1.00 0.00 H new ATOM 0 HG22 ILE A 63 4.927 -2.483 9.657 1.00 0.00 H new ATOM 0 HG23 ILE A 63 3.313 -2.107 10.304 1.00 0.00 H new ATOM 0 HD11 ILE A 63 0.728 -4.171 11.747 1.00 0.00 H new ATOM 0 HD12 ILE A 63 2.019 -2.946 11.717 1.00 0.00 H new ATOM 0 HD13 ILE A 63 0.968 -3.166 10.298 1.00 0.00 H new ATOM 981 N ILE A 64 3.361 -1.738 7.284 1.00 0.00 N ATOM 982 CA ILE A 64 4.055 -0.683 6.566 1.00 0.00 C ATOM 983 C ILE A 64 5.408 -0.452 7.239 1.00 0.00 C ATOM 984 O ILE A 64 5.582 -0.611 8.448 1.00 0.00 O ATOM 985 CB ILE A 64 3.164 0.576 6.473 1.00 0.00 C ATOM 986 CG1 ILE A 64 1.920 0.288 5.597 1.00 0.00 C ATOM 987 CG2 ILE A 64 3.900 1.814 5.938 1.00 0.00 C ATOM 988 CD1 ILE A 64 2.185 0.086 4.114 1.00 0.00 C ATOM 0 H ILE A 64 2.474 -1.447 7.694 1.00 0.00 H new ATOM 0 HA ILE A 64 4.255 -0.966 5.533 1.00 0.00 H new ATOM 0 HB ILE A 64 2.862 0.809 7.494 1.00 0.00 H new ATOM 0 HG12 ILE A 64 1.426 -0.604 5.983 1.00 0.00 H new ATOM 0 HG13 ILE A 64 1.219 1.115 5.712 1.00 0.00 H new ATOM 0 HG21 ILE A 64 3.212 2.658 5.901 1.00 0.00 H new ATOM 0 HG22 ILE A 64 4.734 2.055 6.597 1.00 0.00 H new ATOM 0 HG23 ILE A 64 4.277 1.608 4.936 1.00 0.00 H new ATOM 0 HD11 ILE A 64 1.244 -0.109 3.599 1.00 0.00 H new ATOM 0 HD12 ILE A 64 2.646 0.984 3.701 1.00 0.00 H new ATOM 0 HD13 ILE A 64 2.856 -0.762 3.976 1.00 0.00 H new ATOM 1000 N GLN A 65 6.385 -0.134 6.405 1.00 0.00 N ATOM 1001 CA GLN A 65 7.775 0.088 6.767 1.00 0.00 C ATOM 1002 C GLN A 65 7.861 1.238 7.741 1.00 0.00 C ATOM 1003 O GLN A 65 6.940 2.043 7.856 1.00 0.00 O ATOM 1004 CB GLN A 65 8.593 0.417 5.499 1.00 0.00 C ATOM 1005 CG GLN A 65 8.183 -0.477 4.304 1.00 0.00 C ATOM 1006 CD GLN A 65 7.161 0.212 3.411 1.00 0.00 C ATOM 1007 OE1 GLN A 65 5.958 0.009 3.551 1.00 0.00 O ATOM 1008 NE2 GLN A 65 7.610 1.083 2.526 1.00 0.00 N ATOM 0 H GLN A 65 6.221 -0.018 5.405 1.00 0.00 H new ATOM 0 HA GLN A 65 8.179 -0.811 7.232 1.00 0.00 H new ATOM 0 HB2 GLN A 65 8.450 1.465 5.235 1.00 0.00 H new ATOM 0 HB3 GLN A 65 9.655 0.283 5.706 1.00 0.00 H new ATOM 0 HG2 GLN A 65 9.067 -0.729 3.718 1.00 0.00 H new ATOM 0 HG3 GLN A 65 7.769 -1.414 4.676 1.00 0.00 H new ATOM 0 HE21 GLN A 65 8.613 1.237 2.426 1.00 0.00 H new ATOM 0 HE22 GLN A 65 6.954 1.602 1.943 1.00 0.00 H new ATOM 1017 N SER A 66 9.013 1.374 8.372 1.00 0.00 N ATOM 1018 CA SER A 66 9.453 2.587 8.974 1.00 0.00 C ATOM 1019 C SER A 66 10.941 2.386 9.227 1.00 0.00 C ATOM 1020 O SER A 66 11.480 1.274 9.199 1.00 0.00 O ATOM 1021 CB SER A 66 8.658 2.853 10.257 1.00 0.00 C ATOM 1022 OG SER A 66 8.843 4.199 10.665 1.00 0.00 O ATOM 0 H SER A 66 9.679 0.608 8.474 1.00 0.00 H new ATOM 0 HA SER A 66 9.291 3.463 8.346 1.00 0.00 H new ATOM 0 HB2 SER A 66 7.599 2.657 10.087 1.00 0.00 H new ATOM 0 HB3 SER A 66 8.985 2.176 11.046 1.00 0.00 H new ATOM 0 HG SER A 66 8.332 4.366 11.484 1.00 0.00 H new ATOM 1028 N LEU A 67 11.575 3.504 9.502 1.00 0.00 N ATOM 1029 CA LEU A 67 12.889 3.621 10.105 1.00 0.00 C ATOM 1030 C LEU A 67 12.841 4.767 11.122 1.00 0.00 C ATOM 1031 O LEU A 67 12.121 4.656 12.118 1.00 0.00 O ATOM 1032 CB LEU A 67 13.966 3.724 9.013 1.00 0.00 C ATOM 1033 CG LEU A 67 13.638 4.613 7.796 1.00 0.00 C ATOM 1034 CD1 LEU A 67 14.958 5.132 7.223 1.00 0.00 C ATOM 1035 CD2 LEU A 67 12.948 3.819 6.676 1.00 0.00 C ATOM 0 H LEU A 67 11.163 4.414 9.299 1.00 0.00 H new ATOM 0 HA LEU A 67 13.176 2.731 10.666 1.00 0.00 H new ATOM 0 HB2 LEU A 67 14.880 4.100 9.472 1.00 0.00 H new ATOM 0 HB3 LEU A 67 14.181 2.718 8.651 1.00 0.00 H new ATOM 0 HG LEU A 67 12.975 5.411 8.129 1.00 0.00 H new ATOM 0 HD11 LEU A 67 14.756 5.765 6.359 1.00 0.00 H new ATOM 0 HD12 LEU A 67 15.482 5.712 7.983 1.00 0.00 H new ATOM 0 HD13 LEU A 67 15.579 4.289 6.918 1.00 0.00 H new ATOM 0 HD21 LEU A 67 12.734 4.483 5.838 1.00 0.00 H new ATOM 0 HD22 LEU A 67 13.604 3.014 6.344 1.00 0.00 H new ATOM 0 HD23 LEU A 67 12.016 3.396 7.051 1.00 0.00 H new ATOM 1047 N ASP A 68 13.531 5.885 10.880 1.00 0.00 N ATOM 1048 CA ASP A 68 13.361 7.102 11.679 1.00 0.00 C ATOM 1049 C ASP A 68 12.072 7.781 11.233 1.00 0.00 C ATOM 1050 O ASP A 68 11.123 7.890 12.006 1.00 0.00 O ATOM 1051 CB ASP A 68 14.536 8.077 11.504 1.00 0.00 C ATOM 1052 CG ASP A 68 15.582 7.958 12.607 1.00 0.00 C ATOM 1053 OD1 ASP A 68 16.278 6.925 12.664 1.00 0.00 O ATOM 1054 OD2 ASP A 68 15.774 8.953 13.352 1.00 0.00 O ATOM 0 H ASP A 68 14.218 5.972 10.131 1.00 0.00 H new ATOM 0 HA ASP A 68 13.323 6.825 12.733 1.00 0.00 H new ATOM 0 HB2 ASP A 68 15.011 7.895 10.540 1.00 0.00 H new ATOM 0 HB3 ASP A 68 14.153 9.097 11.483 1.00 0.00 H new ATOM 1059 N ASN A 69 12.061 8.242 9.979 1.00 0.00 N ATOM 1060 CA ASN A 69 11.165 9.269 9.473 1.00 0.00 C ATOM 1061 C ASN A 69 10.704 8.999 8.035 1.00 0.00 C ATOM 1062 O ASN A 69 10.094 9.843 7.388 1.00 0.00 O ATOM 1063 CB ASN A 69 11.911 10.609 9.574 1.00 0.00 C ATOM 1064 CG ASN A 69 11.003 11.793 9.288 1.00 0.00 C ATOM 1065 OD1 ASN A 69 11.175 12.518 8.306 1.00 0.00 O ATOM 1066 ND2 ASN A 69 10.035 12.021 10.154 1.00 0.00 N ATOM 0 H ASN A 69 12.702 7.893 9.267 1.00 0.00 H new ATOM 0 HA ASN A 69 10.253 9.281 10.069 1.00 0.00 H new ATOM 0 HB2 ASN A 69 12.336 10.712 10.572 1.00 0.00 H new ATOM 0 HB3 ASN A 69 12.744 10.613 8.871 1.00 0.00 H new ATOM 0 HD21 ASN A 69 9.407 12.813 10.020 1.00 0.00 H new ATOM 0 HD22 ASN A 69 9.915 11.405 10.958 1.00 0.00 H new ATOM 1073 N LEU A 70 11.067 7.838 7.491 1.00 0.00 N ATOM 1074 CA LEU A 70 10.857 7.439 6.106 1.00 0.00 C ATOM 1075 C LEU A 70 10.234 6.042 6.116 1.00 0.00 C ATOM 1076 O LEU A 70 10.060 5.449 7.187 1.00 0.00 O ATOM 1077 CB LEU A 70 12.203 7.426 5.354 1.00 0.00 C ATOM 1078 CG LEU A 70 13.031 8.728 5.423 1.00 0.00 C ATOM 1079 CD1 LEU A 70 14.523 8.422 5.567 1.00 0.00 C ATOM 1080 CD2 LEU A 70 12.772 9.586 4.191 1.00 0.00 C ATOM 0 H LEU A 70 11.539 7.116 8.035 1.00 0.00 H new ATOM 0 HA LEU A 70 10.196 8.141 5.597 1.00 0.00 H new ATOM 0 HB2 LEU A 70 12.810 6.612 5.750 1.00 0.00 H new ATOM 0 HB3 LEU A 70 12.009 7.198 4.306 1.00 0.00 H new ATOM 0 HG LEU A 70 12.718 9.286 6.306 1.00 0.00 H new ATOM 0 HD11 LEU A 70 15.083 9.356 5.613 1.00 0.00 H new ATOM 0 HD12 LEU A 70 14.691 7.852 6.481 1.00 0.00 H new ATOM 0 HD13 LEU A 70 14.859 7.839 4.709 1.00 0.00 H new ATOM 0 HD21 LEU A 70 13.362 10.500 4.254 1.00 0.00 H new ATOM 0 HD22 LEU A 70 13.055 9.032 3.296 1.00 0.00 H new ATOM 0 HD23 LEU A 70 11.713 9.840 4.141 1.00 0.00 H new ATOM 1092 N TYR A 71 9.974 5.481 4.936 1.00 0.00 N ATOM 1093 CA TYR A 71 9.409 4.149 4.754 1.00 0.00 C ATOM 1094 C TYR A 71 10.218 3.476 3.650 1.00 0.00 C ATOM 1095 O TYR A 71 10.308 4.071 2.582 1.00 0.00 O ATOM 1096 CB TYR A 71 7.939 4.281 4.305 1.00 0.00 C ATOM 1097 CG TYR A 71 7.149 5.323 5.059 1.00 0.00 C ATOM 1098 CD1 TYR A 71 6.644 5.021 6.328 1.00 0.00 C ATOM 1099 CD2 TYR A 71 6.988 6.617 4.536 1.00 0.00 C ATOM 1100 CE1 TYR A 71 5.958 5.982 7.077 1.00 0.00 C ATOM 1101 CE2 TYR A 71 6.317 7.598 5.286 1.00 0.00 C ATOM 1102 CZ TYR A 71 5.776 7.282 6.553 1.00 0.00 C ATOM 1103 OH TYR A 71 5.078 8.226 7.246 1.00 0.00 O ATOM 0 H TYR A 71 10.157 5.958 4.053 1.00 0.00 H new ATOM 0 HA TYR A 71 9.445 3.571 5.677 1.00 0.00 H new ATOM 0 HB2 TYR A 71 7.917 4.524 3.243 1.00 0.00 H new ATOM 0 HB3 TYR A 71 7.448 3.315 4.422 1.00 0.00 H new ATOM 0 HD1 TYR A 71 6.786 4.031 6.735 1.00 0.00 H new ATOM 0 HD2 TYR A 71 7.379 6.858 3.559 1.00 0.00 H new ATOM 0 HE1 TYR A 71 5.568 5.732 8.053 1.00 0.00 H new ATOM 0 HE2 TYR A 71 6.214 8.598 4.892 1.00 0.00 H new ATOM 0 HH TYR A 71 5.056 9.060 6.732 1.00 0.00 H new ATOM 1113 N ARG A 72 10.813 2.294 3.865 1.00 0.00 N ATOM 1114 CA ARG A 72 11.687 1.624 2.888 1.00 0.00 C ATOM 1115 C ARG A 72 11.407 0.136 2.836 1.00 0.00 C ATOM 1116 O ARG A 72 11.277 -0.437 3.911 1.00 0.00 O ATOM 1117 CB ARG A 72 13.158 1.833 3.267 1.00 0.00 C ATOM 1118 CG ARG A 72 13.714 1.160 4.536 1.00 0.00 C ATOM 1119 CD ARG A 72 14.284 -0.254 4.328 1.00 0.00 C ATOM 1120 NE ARG A 72 15.387 -0.526 5.262 1.00 0.00 N ATOM 1121 CZ ARG A 72 16.032 -1.688 5.404 1.00 0.00 C ATOM 1122 NH1 ARG A 72 15.653 -2.782 4.758 1.00 0.00 N ATOM 1123 NH2 ARG A 72 17.071 -1.758 6.220 1.00 0.00 N ATOM 0 H ARG A 72 10.700 1.769 4.732 1.00 0.00 H new ATOM 0 HA ARG A 72 11.485 2.060 1.910 1.00 0.00 H new ATOM 0 HB2 ARG A 72 13.764 1.496 2.426 1.00 0.00 H new ATOM 0 HB3 ARG A 72 13.321 2.906 3.368 1.00 0.00 H new ATOM 0 HG2 ARG A 72 14.498 1.794 4.951 1.00 0.00 H new ATOM 0 HG3 ARG A 72 12.919 1.109 5.280 1.00 0.00 H new ATOM 0 HD2 ARG A 72 13.494 -0.992 4.469 1.00 0.00 H new ATOM 0 HD3 ARG A 72 14.638 -0.359 3.303 1.00 0.00 H new ATOM 0 HE ARG A 72 15.688 0.245 5.858 1.00 0.00 H new ATOM 0 HH11 ARG A 72 14.849 -2.752 4.132 1.00 0.00 H new ATOM 0 HH12 ARG A 72 16.166 -3.654 4.887 1.00 0.00 H new ATOM 0 HH21 ARG A 72 17.373 -0.930 6.734 1.00 0.00 H new ATOM 0 HH22 ARG A 72 17.570 -2.640 6.336 1.00 0.00 H new ATOM 1137 N LEU A 73 11.305 -0.491 1.657 1.00 0.00 N ATOM 1138 CA LEU A 73 11.032 -1.929 1.572 1.00 0.00 C ATOM 1139 C LEU A 73 12.004 -2.665 0.665 1.00 0.00 C ATOM 1140 O LEU A 73 12.568 -3.676 1.089 1.00 0.00 O ATOM 1141 CB LEU A 73 9.576 -2.192 1.161 1.00 0.00 C ATOM 1142 CG LEU A 73 9.051 -3.585 1.551 1.00 0.00 C ATOM 1143 CD1 LEU A 73 9.384 -4.070 2.966 1.00 0.00 C ATOM 1144 CD2 LEU A 73 7.534 -3.510 1.422 1.00 0.00 C ATOM 0 H LEU A 73 11.407 -0.027 0.754 1.00 0.00 H new ATOM 0 HA LEU A 73 11.184 -2.333 2.573 1.00 0.00 H new ATOM 0 HB2 LEU A 73 8.939 -1.435 1.619 1.00 0.00 H new ATOM 0 HB3 LEU A 73 9.488 -2.072 0.081 1.00 0.00 H new ATOM 0 HG LEU A 73 9.542 -4.302 0.893 1.00 0.00 H new ATOM 0 HD11 LEU A 73 8.960 -5.062 3.120 1.00 0.00 H new ATOM 0 HD12 LEU A 73 10.466 -4.115 3.090 1.00 0.00 H new ATOM 0 HD13 LEU A 73 8.963 -3.379 3.696 1.00 0.00 H new ATOM 0 HD21 LEU A 73 7.098 -4.473 1.687 1.00 0.00 H new ATOM 0 HD22 LEU A 73 7.149 -2.741 2.092 1.00 0.00 H new ATOM 0 HD23 LEU A 73 7.268 -3.261 0.395 1.00 0.00 H new ATOM 1156 N GLU A 74 12.193 -2.192 -0.563 1.00 0.00 N ATOM 1157 CA GLU A 74 13.156 -2.769 -1.487 1.00 0.00 C ATOM 1158 C GLU A 74 14.418 -1.913 -1.406 1.00 0.00 C ATOM 1159 O GLU A 74 15.445 -2.355 -0.882 1.00 0.00 O ATOM 1160 CB GLU A 74 12.562 -2.858 -2.903 1.00 0.00 C ATOM 1161 CG GLU A 74 13.492 -3.497 -3.948 1.00 0.00 C ATOM 1162 CD GLU A 74 14.230 -4.758 -3.476 1.00 0.00 C ATOM 1163 OE1 GLU A 74 13.643 -5.865 -3.504 1.00 0.00 O ATOM 1164 OE2 GLU A 74 15.427 -4.661 -3.113 1.00 0.00 O ATOM 0 H GLU A 74 11.680 -1.396 -0.943 1.00 0.00 H new ATOM 0 HA GLU A 74 13.409 -3.796 -1.222 1.00 0.00 H new ATOM 0 HB2 GLU A 74 11.637 -3.433 -2.859 1.00 0.00 H new ATOM 0 HB3 GLU A 74 12.298 -1.854 -3.236 1.00 0.00 H new ATOM 0 HG2 GLU A 74 12.904 -3.748 -4.831 1.00 0.00 H new ATOM 0 HG3 GLU A 74 14.230 -2.757 -4.257 1.00 0.00 H new ATOM 1171 N GLY A 75 14.316 -0.685 -1.905 1.00 0.00 N ATOM 1172 CA GLY A 75 15.377 0.297 -1.988 1.00 0.00 C ATOM 1173 C GLY A 75 15.361 1.229 -0.781 1.00 0.00 C ATOM 1174 O GLY A 75 15.064 0.801 0.339 1.00 0.00 O ATOM 0 H GLY A 75 13.436 -0.334 -2.283 1.00 0.00 H new ATOM 0 HA2 GLY A 75 16.341 -0.209 -2.047 1.00 0.00 H new ATOM 0 HA3 GLY A 75 15.266 0.880 -2.902 1.00 0.00 H new ATOM 1178 N GLU A 76 15.730 2.485 -1.008 1.00 0.00 N ATOM 1179 CA GLU A 76 15.768 3.549 -0.006 1.00 0.00 C ATOM 1180 C GLU A 76 14.396 3.885 0.578 1.00 0.00 C ATOM 1181 O GLU A 76 13.356 3.461 0.063 1.00 0.00 O ATOM 1182 CB GLU A 76 16.345 4.816 -0.645 1.00 0.00 C ATOM 1183 CG GLU A 76 15.391 5.397 -1.702 1.00 0.00 C ATOM 1184 CD GLU A 76 16.135 5.971 -2.892 1.00 0.00 C ATOM 1185 OE1 GLU A 76 16.712 5.164 -3.660 1.00 0.00 O ATOM 1186 OE2 GLU A 76 16.115 7.209 -3.079 1.00 0.00 O ATOM 0 H GLU A 76 16.023 2.804 -1.931 1.00 0.00 H new ATOM 0 HA GLU A 76 16.390 3.186 0.813 1.00 0.00 H new ATOM 0 HB2 GLU A 76 16.532 5.562 0.127 1.00 0.00 H new ATOM 0 HB3 GLU A 76 17.306 4.587 -1.106 1.00 0.00 H new ATOM 0 HG2 GLU A 76 14.711 4.617 -2.043 1.00 0.00 H new ATOM 0 HG3 GLU A 76 14.780 6.177 -1.248 1.00 0.00 H new ATOM 1193 N GLY A 77 14.408 4.743 1.596 1.00 0.00 N ATOM 1194 CA GLY A 77 13.213 5.339 2.144 1.00 0.00 C ATOM 1195 C GLY A 77 12.697 6.510 1.314 1.00 0.00 C ATOM 1196 O GLY A 77 13.453 7.188 0.615 1.00 0.00 O ATOM 0 H GLY A 77 15.264 5.041 2.063 1.00 0.00 H new ATOM 0 HA2 GLY A 77 12.434 4.580 2.214 1.00 0.00 H new ATOM 0 HA3 GLY A 77 13.417 5.682 3.158 1.00 0.00 H new ATOM 1200 N PHE A 78 11.411 6.810 1.485 1.00 0.00 N ATOM 1201 CA PHE A 78 10.787 8.057 1.050 1.00 0.00 C ATOM 1202 C PHE A 78 10.040 8.679 2.235 1.00 0.00 C ATOM 1203 O PHE A 78 9.664 7.949 3.155 1.00 0.00 O ATOM 1204 CB PHE A 78 9.826 7.812 -0.122 1.00 0.00 C ATOM 1205 CG PHE A 78 10.486 7.817 -1.487 1.00 0.00 C ATOM 1206 CD1 PHE A 78 11.052 6.641 -2.012 1.00 0.00 C ATOM 1207 CD2 PHE A 78 10.530 9.006 -2.244 1.00 0.00 C ATOM 1208 CE1 PHE A 78 11.612 6.635 -3.301 1.00 0.00 C ATOM 1209 CE2 PHE A 78 11.083 8.999 -3.537 1.00 0.00 C ATOM 1210 CZ PHE A 78 11.613 7.811 -4.068 1.00 0.00 C ATOM 0 H PHE A 78 10.757 6.175 1.942 1.00 0.00 H new ATOM 0 HA PHE A 78 11.561 8.742 0.703 1.00 0.00 H new ATOM 0 HB2 PHE A 78 9.331 6.852 0.025 1.00 0.00 H new ATOM 0 HB3 PHE A 78 9.050 8.577 -0.105 1.00 0.00 H new ATOM 0 HD1 PHE A 78 11.056 5.737 -1.421 1.00 0.00 H new ATOM 0 HD2 PHE A 78 10.138 9.923 -1.830 1.00 0.00 H new ATOM 0 HE1 PHE A 78 12.041 5.728 -3.701 1.00 0.00 H new ATOM 0 HE2 PHE A 78 11.100 9.907 -4.122 1.00 0.00 H new ATOM 0 HZ PHE A 78 12.022 7.802 -5.068 1.00 0.00 H new ATOM 1220 N PRO A 79 9.789 10.001 2.209 1.00 0.00 N ATOM 1221 CA PRO A 79 9.137 10.744 3.286 1.00 0.00 C ATOM 1222 C PRO A 79 7.615 10.572 3.315 1.00 0.00 C ATOM 1223 O PRO A 79 6.969 10.988 4.279 1.00 0.00 O ATOM 1224 CB PRO A 79 9.512 12.206 3.025 1.00 0.00 C ATOM 1225 CG PRO A 79 9.633 12.274 1.506 1.00 0.00 C ATOM 1226 CD PRO A 79 10.214 10.912 1.153 1.00 0.00 C ATOM 0 HA PRO A 79 9.468 10.379 4.258 1.00 0.00 H new ATOM 0 HB2 PRO A 79 8.749 12.889 3.398 1.00 0.00 H new ATOM 0 HB3 PRO A 79 10.448 12.474 3.515 1.00 0.00 H new ATOM 0 HG2 PRO A 79 8.666 12.437 1.030 1.00 0.00 H new ATOM 0 HG3 PRO A 79 10.286 13.087 1.188 1.00 0.00 H new ATOM 0 HD2 PRO A 79 9.854 10.576 0.181 1.00 0.00 H new ATOM 0 HD3 PRO A 79 11.301 10.957 1.092 1.00 0.00 H new ATOM 1234 N SER A 80 7.016 9.969 2.286 1.00 0.00 N ATOM 1235 CA SER A 80 5.589 9.677 2.230 1.00 0.00 C ATOM 1236 C SER A 80 5.453 8.210 1.853 1.00 0.00 C ATOM 1237 O SER A 80 6.310 7.651 1.167 1.00 0.00 O ATOM 1238 CB SER A 80 4.861 10.599 1.240 1.00 0.00 C ATOM 1239 OG SER A 80 5.335 11.927 1.279 1.00 0.00 O ATOM 0 H SER A 80 7.522 9.666 1.454 1.00 0.00 H new ATOM 0 HA SER A 80 5.119 9.863 3.196 1.00 0.00 H new ATOM 0 HB2 SER A 80 4.979 10.206 0.230 1.00 0.00 H new ATOM 0 HB3 SER A 80 3.794 10.592 1.462 1.00 0.00 H new ATOM 0 HG SER A 80 4.840 12.470 0.630 1.00 0.00 H new ATOM 1245 N ILE A 81 4.379 7.586 2.325 1.00 0.00 N ATOM 1246 CA ILE A 81 3.975 6.268 1.876 1.00 0.00 C ATOM 1247 C ILE A 81 3.627 6.370 0.384 1.00 0.00 C ATOM 1248 O ILE A 81 4.169 5.581 -0.384 1.00 0.00 O ATOM 1249 CB ILE A 81 2.858 5.722 2.799 1.00 0.00 C ATOM 1250 CG1 ILE A 81 3.477 5.412 4.187 1.00 0.00 C ATOM 1251 CG2 ILE A 81 2.205 4.465 2.218 1.00 0.00 C ATOM 1252 CD1 ILE A 81 2.492 5.178 5.336 1.00 0.00 C ATOM 0 H ILE A 81 3.764 7.987 3.033 1.00 0.00 H new ATOM 0 HA ILE A 81 4.771 5.527 1.954 1.00 0.00 H new ATOM 0 HB ILE A 81 2.076 6.475 2.890 1.00 0.00 H new ATOM 0 HG12 ILE A 81 4.106 4.527 4.091 1.00 0.00 H new ATOM 0 HG13 ILE A 81 4.131 6.239 4.461 1.00 0.00 H new ATOM 0 HG21 ILE A 81 1.427 4.113 2.895 1.00 0.00 H new ATOM 0 HG22 ILE A 81 1.764 4.699 1.249 1.00 0.00 H new ATOM 0 HG23 ILE A 81 2.958 3.687 2.096 1.00 0.00 H new ATOM 0 HD11 ILE A 81 3.045 4.971 6.252 1.00 0.00 H new ATOM 0 HD12 ILE A 81 1.878 6.068 5.476 1.00 0.00 H new ATOM 0 HD13 ILE A 81 1.852 4.328 5.099 1.00 0.00 H new ATOM 1264 N PRO A 82 2.825 7.351 -0.087 1.00 0.00 N ATOM 1265 CA PRO A 82 2.449 7.407 -1.499 1.00 0.00 C ATOM 1266 C PRO A 82 3.633 7.603 -2.453 1.00 0.00 C ATOM 1267 O PRO A 82 3.609 7.082 -3.570 1.00 0.00 O ATOM 1268 CB PRO A 82 1.395 8.517 -1.611 1.00 0.00 C ATOM 1269 CG PRO A 82 1.572 9.357 -0.352 1.00 0.00 C ATOM 1270 CD PRO A 82 2.099 8.368 0.665 1.00 0.00 C ATOM 0 HA PRO A 82 2.044 6.447 -1.818 1.00 0.00 H new ATOM 0 HB2 PRO A 82 1.546 9.116 -2.509 1.00 0.00 H new ATOM 0 HB3 PRO A 82 0.389 8.102 -1.670 1.00 0.00 H new ATOM 0 HG2 PRO A 82 2.271 10.178 -0.513 1.00 0.00 H new ATOM 0 HG3 PRO A 82 0.630 9.800 -0.030 1.00 0.00 H new ATOM 0 HD2 PRO A 82 2.754 8.861 1.383 1.00 0.00 H new ATOM 0 HD3 PRO A 82 1.282 7.922 1.232 1.00 0.00 H new ATOM 1278 N LEU A 83 4.683 8.279 -1.986 1.00 0.00 N ATOM 1279 CA LEU A 83 5.956 8.417 -2.680 1.00 0.00 C ATOM 1280 C LEU A 83 6.657 7.072 -2.852 1.00 0.00 C ATOM 1281 O LEU A 83 7.193 6.788 -3.922 1.00 0.00 O ATOM 1282 CB LEU A 83 6.841 9.422 -1.920 1.00 0.00 C ATOM 1283 CG LEU A 83 6.652 10.881 -2.370 1.00 0.00 C ATOM 1284 CD1 LEU A 83 7.369 11.838 -1.412 1.00 0.00 C ATOM 1285 CD2 LEU A 83 7.245 11.148 -3.747 1.00 0.00 C ATOM 0 H LEU A 83 4.667 8.759 -1.086 1.00 0.00 H new ATOM 0 HA LEU A 83 5.769 8.796 -3.685 1.00 0.00 H new ATOM 0 HB2 LEU A 83 6.624 9.349 -0.854 1.00 0.00 H new ATOM 0 HB3 LEU A 83 7.887 9.143 -2.052 1.00 0.00 H new ATOM 0 HG LEU A 83 5.574 11.044 -2.385 1.00 0.00 H new ATOM 0 HD11 LEU A 83 7.224 12.865 -1.747 1.00 0.00 H new ATOM 0 HD12 LEU A 83 6.960 11.722 -0.408 1.00 0.00 H new ATOM 0 HD13 LEU A 83 8.434 11.608 -1.398 1.00 0.00 H new ATOM 0 HD21 LEU A 83 7.084 12.192 -4.016 1.00 0.00 H new ATOM 0 HD22 LEU A 83 8.315 10.938 -3.729 1.00 0.00 H new ATOM 0 HD23 LEU A 83 6.761 10.505 -4.482 1.00 0.00 H new ATOM 1297 N LEU A 84 6.661 6.242 -1.810 1.00 0.00 N ATOM 1298 CA LEU A 84 7.278 4.923 -1.856 1.00 0.00 C ATOM 1299 C LEU A 84 6.480 3.999 -2.765 1.00 0.00 C ATOM 1300 O LEU A 84 7.078 3.257 -3.543 1.00 0.00 O ATOM 1301 CB LEU A 84 7.336 4.361 -0.432 1.00 0.00 C ATOM 1302 CG LEU A 84 8.390 3.281 -0.119 1.00 0.00 C ATOM 1303 CD1 LEU A 84 8.163 1.953 -0.839 1.00 0.00 C ATOM 1304 CD2 LEU A 84 9.821 3.721 -0.408 1.00 0.00 C ATOM 0 H LEU A 84 6.236 6.468 -0.911 1.00 0.00 H new ATOM 0 HA LEU A 84 8.288 4.999 -2.260 1.00 0.00 H new ATOM 0 HB2 LEU A 84 7.502 5.196 0.249 1.00 0.00 H new ATOM 0 HB3 LEU A 84 6.355 3.948 -0.197 1.00 0.00 H new ATOM 0 HG LEU A 84 8.258 3.132 0.953 1.00 0.00 H new ATOM 0 HD11 LEU A 84 8.949 1.250 -0.563 1.00 0.00 H new ATOM 0 HD12 LEU A 84 7.194 1.545 -0.552 1.00 0.00 H new ATOM 0 HD13 LEU A 84 8.184 2.115 -1.917 1.00 0.00 H new ATOM 0 HD21 LEU A 84 10.507 2.910 -0.164 1.00 0.00 H new ATOM 0 HD22 LEU A 84 9.918 3.973 -1.464 1.00 0.00 H new ATOM 0 HD23 LEU A 84 10.062 4.595 0.197 1.00 0.00 H new ATOM 1316 N ILE A 85 5.143 4.073 -2.697 1.00 0.00 N ATOM 1317 CA ILE A 85 4.271 3.324 -3.587 1.00 0.00 C ATOM 1318 C ILE A 85 4.712 3.553 -5.019 1.00 0.00 C ATOM 1319 O ILE A 85 4.803 2.583 -5.756 1.00 0.00 O ATOM 1320 CB ILE A 85 2.780 3.683 -3.377 1.00 0.00 C ATOM 1321 CG1 ILE A 85 2.273 3.216 -2.000 1.00 0.00 C ATOM 1322 CG2 ILE A 85 1.860 3.116 -4.479 1.00 0.00 C ATOM 1323 CD1 ILE A 85 2.525 1.735 -1.719 1.00 0.00 C ATOM 0 H ILE A 85 4.646 4.654 -2.023 1.00 0.00 H new ATOM 0 HA ILE A 85 4.357 2.263 -3.354 1.00 0.00 H new ATOM 0 HB ILE A 85 2.734 4.771 -3.431 1.00 0.00 H new ATOM 0 HG12 ILE A 85 2.756 3.811 -1.225 1.00 0.00 H new ATOM 0 HG13 ILE A 85 1.203 3.412 -1.932 1.00 0.00 H new ATOM 0 HG21 ILE A 85 0.828 3.402 -4.275 1.00 0.00 H new ATOM 0 HG22 ILE A 85 2.163 3.516 -5.447 1.00 0.00 H new ATOM 0 HG23 ILE A 85 1.939 2.029 -4.495 1.00 0.00 H new ATOM 0 HD11 ILE A 85 2.140 1.482 -0.731 1.00 0.00 H new ATOM 0 HD12 ILE A 85 2.019 1.131 -2.472 1.00 0.00 H new ATOM 0 HD13 ILE A 85 3.596 1.535 -1.754 1.00 0.00 H new ATOM 1335 N ASP A 86 4.970 4.792 -5.436 1.00 0.00 N ATOM 1336 CA ASP A 86 5.255 5.045 -6.844 1.00 0.00 C ATOM 1337 C ASP A 86 6.544 4.377 -7.280 1.00 0.00 C ATOM 1338 O ASP A 86 6.585 3.805 -8.363 1.00 0.00 O ATOM 1339 CB ASP A 86 5.351 6.534 -7.115 1.00 0.00 C ATOM 1340 CG ASP A 86 5.573 6.813 -8.596 1.00 0.00 C ATOM 1341 OD1 ASP A 86 4.578 6.720 -9.350 1.00 0.00 O ATOM 1342 OD2 ASP A 86 6.691 7.218 -8.994 1.00 0.00 O ATOM 0 H ASP A 86 4.987 5.616 -4.835 1.00 0.00 H new ATOM 0 HA ASP A 86 4.430 4.622 -7.417 1.00 0.00 H new ATOM 0 HB2 ASP A 86 4.437 7.026 -6.783 1.00 0.00 H new ATOM 0 HB3 ASP A 86 6.170 6.959 -6.536 1.00 0.00 H new ATOM 1347 N HIS A 87 7.578 4.396 -6.440 1.00 0.00 N ATOM 1348 CA HIS A 87 8.833 3.762 -6.808 1.00 0.00 C ATOM 1349 C HIS A 87 8.782 2.242 -6.665 1.00 0.00 C ATOM 1350 O HIS A 87 9.694 1.564 -7.128 1.00 0.00 O ATOM 1351 CB HIS A 87 9.985 4.343 -6.004 1.00 0.00 C ATOM 1352 CG HIS A 87 11.338 4.062 -6.600 1.00 0.00 C ATOM 1353 ND1 HIS A 87 11.775 4.429 -7.853 1.00 0.00 N ATOM 1354 CD2 HIS A 87 12.395 3.521 -5.929 1.00 0.00 C ATOM 1355 CE1 HIS A 87 13.089 4.169 -7.913 1.00 0.00 C ATOM 1356 NE2 HIS A 87 13.521 3.636 -6.754 1.00 0.00 N ATOM 0 H HIS A 87 7.569 4.835 -5.519 1.00 0.00 H new ATOM 0 HA HIS A 87 9.001 3.975 -7.864 1.00 0.00 H new ATOM 0 HB2 HIS A 87 9.851 5.421 -5.920 1.00 0.00 H new ATOM 0 HB3 HIS A 87 9.952 3.938 -4.993 1.00 0.00 H new ATOM 0 HD2 HIS A 87 12.369 3.084 -4.942 1.00 0.00 H new ATOM 0 HE1 HIS A 87 13.715 4.361 -8.772 1.00 0.00 H new ATOM 0 HE2 HIS A 87 14.478 3.369 -6.523 1.00 0.00 H new ATOM 1364 N LEU A 88 7.725 1.656 -6.102 1.00 0.00 N ATOM 1365 CA LEU A 88 7.445 0.240 -6.251 1.00 0.00 C ATOM 1366 C LEU A 88 6.544 -0.031 -7.450 1.00 0.00 C ATOM 1367 O LEU A 88 6.716 -1.043 -8.123 1.00 0.00 O ATOM 1368 CB LEU A 88 6.777 -0.240 -4.971 1.00 0.00 C ATOM 1369 CG LEU A 88 7.740 -0.456 -3.796 1.00 0.00 C ATOM 1370 CD1 LEU A 88 7.468 -1.857 -3.246 1.00 0.00 C ATOM 1371 CD2 LEU A 88 9.260 -0.351 -4.015 1.00 0.00 C ATOM 0 H LEU A 88 7.043 2.155 -5.531 1.00 0.00 H new ATOM 0 HA LEU A 88 8.377 -0.297 -6.426 1.00 0.00 H new ATOM 0 HB2 LEU A 88 6.020 0.487 -4.676 1.00 0.00 H new ATOM 0 HB3 LEU A 88 6.257 -1.176 -5.176 1.00 0.00 H new ATOM 0 HG LEU A 88 7.523 0.388 -3.141 1.00 0.00 H new ATOM 0 HD11 LEU A 88 8.134 -2.053 -2.405 1.00 0.00 H new ATOM 0 HD12 LEU A 88 6.433 -1.922 -2.912 1.00 0.00 H new ATOM 0 HD13 LEU A 88 7.644 -2.595 -4.028 1.00 0.00 H new ATOM 0 HD21 LEU A 88 9.777 -0.534 -3.073 1.00 0.00 H new ATOM 0 HD22 LEU A 88 9.574 -1.092 -4.751 1.00 0.00 H new ATOM 0 HD23 LEU A 88 9.507 0.647 -4.377 1.00 0.00 H new ATOM 1383 N LEU A 89 5.578 0.843 -7.728 1.00 0.00 N ATOM 1384 CA LEU A 89 4.576 0.635 -8.760 1.00 0.00 C ATOM 1385 C LEU A 89 5.203 0.836 -10.121 1.00 0.00 C ATOM 1386 O LEU A 89 4.988 0.040 -11.022 1.00 0.00 O ATOM 1387 CB LEU A 89 3.370 1.574 -8.560 1.00 0.00 C ATOM 1388 CG LEU A 89 2.044 0.847 -8.829 1.00 0.00 C ATOM 1389 CD1 LEU A 89 0.973 1.366 -7.880 1.00 0.00 C ATOM 1390 CD2 LEU A 89 1.519 0.918 -10.252 1.00 0.00 C ATOM 0 H LEU A 89 5.472 1.728 -7.232 1.00 0.00 H new ATOM 0 HA LEU A 89 4.204 -0.387 -8.690 1.00 0.00 H new ATOM 0 HB2 LEU A 89 3.374 1.962 -7.541 1.00 0.00 H new ATOM 0 HB3 LEU A 89 3.459 2.431 -9.228 1.00 0.00 H new ATOM 0 HG LEU A 89 2.271 -0.205 -8.660 1.00 0.00 H new ATOM 0 HD11 LEU A 89 0.034 0.848 -8.073 1.00 0.00 H new ATOM 0 HD12 LEU A 89 1.281 1.186 -6.850 1.00 0.00 H new ATOM 0 HD13 LEU A 89 0.836 2.436 -8.036 1.00 0.00 H new ATOM 0 HD21 LEU A 89 0.579 0.370 -10.321 1.00 0.00 H new ATOM 0 HD22 LEU A 89 1.352 1.960 -10.527 1.00 0.00 H new ATOM 0 HD23 LEU A 89 2.248 0.476 -10.931 1.00 0.00 H new ATOM 1402 N SER A 90 5.990 1.892 -10.275 1.00 0.00 N ATOM 1403 CA SER A 90 6.528 2.277 -11.567 1.00 0.00 C ATOM 1404 C SER A 90 7.755 1.422 -11.929 1.00 0.00 C ATOM 1405 O SER A 90 8.290 1.532 -13.034 1.00 0.00 O ATOM 1406 CB SER A 90 6.841 3.783 -11.550 1.00 0.00 C ATOM 1407 OG SER A 90 6.681 4.359 -12.832 1.00 0.00 O ATOM 0 H SER A 90 6.271 2.503 -9.508 1.00 0.00 H new ATOM 0 HA SER A 90 5.790 2.092 -12.347 1.00 0.00 H new ATOM 0 HB2 SER A 90 6.184 4.285 -10.840 1.00 0.00 H new ATOM 0 HB3 SER A 90 7.863 3.940 -11.204 1.00 0.00 H new ATOM 0 HG SER A 90 6.886 5.316 -12.788 1.00 0.00 H new ATOM 1413 N THR A 91 8.205 0.574 -10.999 1.00 0.00 N ATOM 1414 CA THR A 91 9.347 -0.321 -11.135 1.00 0.00 C ATOM 1415 C THR A 91 8.865 -1.775 -11.171 1.00 0.00 C ATOM 1416 O THR A 91 9.468 -2.604 -11.855 1.00 0.00 O ATOM 1417 CB THR A 91 10.334 -0.049 -9.989 1.00 0.00 C ATOM 1418 OG1 THR A 91 9.741 -0.411 -8.763 1.00 0.00 O ATOM 1419 CG2 THR A 91 10.735 1.431 -9.884 1.00 0.00 C ATOM 0 H THR A 91 7.756 0.493 -10.087 1.00 0.00 H new ATOM 0 HA THR A 91 9.871 -0.140 -12.073 1.00 0.00 H new ATOM 0 HB THR A 91 11.226 -0.637 -10.203 1.00 0.00 H new ATOM 0 HG1 THR A 91 9.447 0.396 -8.291 1.00 0.00 H new ATOM 0 HG21 THR A 91 11.433 1.561 -9.057 1.00 0.00 H new ATOM 0 HG22 THR A 91 11.210 1.746 -10.813 1.00 0.00 H new ATOM 0 HG23 THR A 91 9.846 2.037 -9.707 1.00 0.00 H new ATOM 1427 N GLN A 92 7.707 -2.044 -10.546 1.00 0.00 N ATOM 1428 CA GLN A 92 7.090 -3.361 -10.392 1.00 0.00 C ATOM 1429 C GLN A 92 7.949 -4.210 -9.443 1.00 0.00 C ATOM 1430 O GLN A 92 8.151 -5.403 -9.673 1.00 0.00 O ATOM 1431 CB GLN A 92 6.789 -4.027 -11.757 1.00 0.00 C ATOM 1432 CG GLN A 92 5.976 -3.187 -12.761 1.00 0.00 C ATOM 1433 CD GLN A 92 4.498 -3.239 -12.404 1.00 0.00 C ATOM 1434 OE1 GLN A 92 3.719 -3.981 -12.997 1.00 0.00 O ATOM 1435 NE2 GLN A 92 4.069 -2.492 -11.413 1.00 0.00 N ATOM 0 H GLN A 92 7.151 -1.306 -10.114 1.00 0.00 H new ATOM 0 HA GLN A 92 6.108 -3.258 -9.931 1.00 0.00 H new ATOM 0 HB2 GLN A 92 7.737 -4.295 -12.224 1.00 0.00 H new ATOM 0 HB3 GLN A 92 6.250 -4.956 -11.573 1.00 0.00 H new ATOM 0 HG2 GLN A 92 6.325 -2.154 -12.751 1.00 0.00 H new ATOM 0 HG3 GLN A 92 6.128 -3.565 -13.772 1.00 0.00 H new ATOM 0 HE21 GLN A 92 4.717 -1.876 -10.921 1.00 0.00 H new ATOM 0 HE22 GLN A 92 3.088 -2.528 -11.135 1.00 0.00 H new ATOM 1444 N GLN A 93 8.501 -3.562 -8.409 1.00 0.00 N ATOM 1445 CA GLN A 93 9.427 -4.180 -7.468 1.00 0.00 C ATOM 1446 C GLN A 93 8.711 -4.940 -6.352 1.00 0.00 C ATOM 1447 O GLN A 93 7.594 -4.576 -5.975 1.00 0.00 O ATOM 1448 CB GLN A 93 10.354 -3.133 -6.830 1.00 0.00 C ATOM 1449 CG GLN A 93 11.642 -3.041 -7.646 1.00 0.00 C ATOM 1450 CD GLN A 93 12.642 -2.042 -7.139 1.00 0.00 C ATOM 1451 OE1 GLN A 93 13.836 -2.315 -7.081 1.00 0.00 O ATOM 1452 NE2 GLN A 93 12.216 -0.817 -6.925 1.00 0.00 N ATOM 0 H GLN A 93 8.311 -2.581 -8.205 1.00 0.00 H new ATOM 0 HA GLN A 93 10.012 -4.890 -8.052 1.00 0.00 H new ATOM 0 HB2 GLN A 93 9.859 -2.162 -6.798 1.00 0.00 H new ATOM 0 HB3 GLN A 93 10.580 -3.409 -5.800 1.00 0.00 H new ATOM 0 HG2 GLN A 93 12.112 -4.024 -7.668 1.00 0.00 H new ATOM 0 HG3 GLN A 93 11.386 -2.787 -8.675 1.00 0.00 H new ATOM 0 HE21 GLN A 93 11.219 -0.607 -6.977 1.00 0.00 H new ATOM 0 HE22 GLN A 93 12.882 -0.076 -6.707 1.00 0.00 H new ATOM 1461 N PRO A 94 9.397 -5.931 -5.757 1.00 0.00 N ATOM 1462 CA PRO A 94 8.854 -6.798 -4.723 1.00 0.00 C ATOM 1463 C PRO A 94 8.866 -6.219 -3.303 1.00 0.00 C ATOM 1464 O PRO A 94 9.694 -5.383 -2.950 1.00 0.00 O ATOM 1465 CB PRO A 94 9.715 -8.063 -4.798 1.00 0.00 C ATOM 1466 CG PRO A 94 11.078 -7.503 -5.197 1.00 0.00 C ATOM 1467 CD PRO A 94 10.709 -6.398 -6.180 1.00 0.00 C ATOM 0 HA PRO A 94 7.793 -6.964 -4.910 1.00 0.00 H new ATOM 0 HB2 PRO A 94 9.754 -8.586 -3.843 1.00 0.00 H new ATOM 0 HB3 PRO A 94 9.335 -8.771 -5.534 1.00 0.00 H new ATOM 0 HG2 PRO A 94 11.624 -7.115 -4.337 1.00 0.00 H new ATOM 0 HG3 PRO A 94 11.709 -8.262 -5.659 1.00 0.00 H new ATOM 0 HD2 PRO A 94 11.440 -5.590 -6.157 1.00 0.00 H new ATOM 0 HD3 PRO A 94 10.682 -6.774 -7.203 1.00 0.00 H new ATOM 1475 N LEU A 95 8.006 -6.786 -2.446 1.00 0.00 N ATOM 1476 CA LEU A 95 7.886 -6.457 -1.025 1.00 0.00 C ATOM 1477 C LEU A 95 8.753 -7.319 -0.100 1.00 0.00 C ATOM 1478 O LEU A 95 9.079 -6.898 1.013 1.00 0.00 O ATOM 1479 CB LEU A 95 6.443 -6.677 -0.560 1.00 0.00 C ATOM 1480 CG LEU A 95 5.347 -5.892 -1.272 1.00 0.00 C ATOM 1481 CD1 LEU A 95 4.070 -6.123 -0.484 1.00 0.00 C ATOM 1482 CD2 LEU A 95 5.615 -4.401 -1.427 1.00 0.00 C ATOM 0 H LEU A 95 7.352 -7.513 -2.737 1.00 0.00 H new ATOM 0 HA LEU A 95 8.214 -5.420 -0.954 1.00 0.00 H new ATOM 0 HB2 LEU A 95 6.216 -7.738 -0.660 1.00 0.00 H new ATOM 0 HB3 LEU A 95 6.392 -6.438 0.502 1.00 0.00 H new ATOM 0 HG LEU A 95 5.285 -6.254 -2.298 1.00 0.00 H new ATOM 0 HD11 LEU A 95 3.250 -5.580 -0.953 1.00 0.00 H new ATOM 0 HD12 LEU A 95 3.839 -7.188 -0.469 1.00 0.00 H new ATOM 0 HD13 LEU A 95 4.203 -5.767 0.537 1.00 0.00 H new ATOM 0 HD21 LEU A 95 4.778 -3.933 -1.945 1.00 0.00 H new ATOM 0 HD22 LEU A 95 5.732 -3.948 -0.442 1.00 0.00 H new ATOM 0 HD23 LEU A 95 6.528 -4.253 -2.005 1.00 0.00 H new ATOM 1494 N THR A 96 9.042 -8.570 -0.465 1.00 0.00 N ATOM 1495 CA THR A 96 9.694 -9.514 0.428 1.00 0.00 C ATOM 1496 C THR A 96 10.494 -10.516 -0.399 1.00 0.00 C ATOM 1497 O THR A 96 10.071 -10.918 -1.491 1.00 0.00 O ATOM 1498 CB THR A 96 8.631 -10.192 1.328 1.00 0.00 C ATOM 1499 OG1 THR A 96 9.176 -11.326 1.965 1.00 0.00 O ATOM 1500 CG2 THR A 96 7.364 -10.643 0.586 1.00 0.00 C ATOM 0 H THR A 96 8.829 -8.951 -1.387 1.00 0.00 H new ATOM 0 HA THR A 96 10.395 -9.003 1.088 1.00 0.00 H new ATOM 0 HB THR A 96 8.342 -9.422 2.043 1.00 0.00 H new ATOM 0 HG1 THR A 96 8.552 -11.649 2.648 1.00 0.00 H new ATOM 0 HG21 THR A 96 6.675 -11.107 1.292 1.00 0.00 H new ATOM 0 HG22 THR A 96 6.885 -9.779 0.125 1.00 0.00 H new ATOM 0 HG23 THR A 96 7.632 -11.364 -0.186 1.00 0.00 H new ATOM 1508 N LYS A 97 11.604 -11.004 0.167 1.00 0.00 N ATOM 1509 CA LYS A 97 12.353 -12.142 -0.362 1.00 0.00 C ATOM 1510 C LYS A 97 11.572 -13.447 -0.307 1.00 0.00 C ATOM 1511 O LYS A 97 11.980 -14.419 -0.941 1.00 0.00 O ATOM 1512 CB LYS A 97 13.673 -12.327 0.403 1.00 0.00 C ATOM 1513 CG LYS A 97 14.638 -11.138 0.330 1.00 0.00 C ATOM 1514 CD LYS A 97 14.972 -10.659 -1.091 1.00 0.00 C ATOM 1515 CE LYS A 97 15.439 -11.764 -2.049 1.00 0.00 C ATOM 1516 NZ LYS A 97 15.581 -11.279 -3.439 1.00 0.00 N ATOM 0 H LYS A 97 12.010 -10.612 1.017 1.00 0.00 H new ATOM 0 HA LYS A 97 12.548 -11.909 -1.409 1.00 0.00 H new ATOM 0 HB2 LYS A 97 13.444 -12.525 1.450 1.00 0.00 H new ATOM 0 HB3 LYS A 97 14.179 -13.211 0.015 1.00 0.00 H new ATOM 0 HG2 LYS A 97 14.207 -10.305 0.886 1.00 0.00 H new ATOM 0 HG3 LYS A 97 15.566 -11.411 0.833 1.00 0.00 H new ATOM 0 HD2 LYS A 97 14.090 -10.179 -1.514 1.00 0.00 H new ATOM 0 HD3 LYS A 97 15.750 -9.898 -1.029 1.00 0.00 H new ATOM 0 HE2 LYS A 97 16.395 -12.160 -1.705 1.00 0.00 H new ATOM 0 HE3 LYS A 97 14.726 -12.588 -2.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 15.898 -12.060 -4.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 14.664 -10.925 -3.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 16.281 -10.510 -3.469 1.00 0.00 H new ATOM 1530 N LYS A 98 10.479 -13.507 0.453 1.00 0.00 N ATOM 1531 CA LYS A 98 9.573 -14.637 0.419 1.00 0.00 C ATOM 1532 C LYS A 98 8.719 -14.507 -0.831 1.00 0.00 C ATOM 1533 O LYS A 98 9.060 -15.035 -1.884 1.00 0.00 O ATOM 1534 CB LYS A 98 8.750 -14.695 1.717 1.00 0.00 C ATOM 1535 CG LYS A 98 9.610 -14.974 2.956 1.00 0.00 C ATOM 1536 CD LYS A 98 10.410 -16.284 2.891 1.00 0.00 C ATOM 1537 CE LYS A 98 11.863 -15.997 2.483 1.00 0.00 C ATOM 1538 NZ LYS A 98 12.678 -17.221 2.390 1.00 0.00 N ATOM 0 H LYS A 98 10.204 -12.772 1.105 1.00 0.00 H new ATOM 0 HA LYS A 98 10.112 -15.583 0.368 1.00 0.00 H new ATOM 0 HB2 LYS A 98 8.225 -13.749 1.851 1.00 0.00 H new ATOM 0 HB3 LYS A 98 7.991 -15.471 1.626 1.00 0.00 H new ATOM 0 HG2 LYS A 98 10.304 -14.145 3.096 1.00 0.00 H new ATOM 0 HG3 LYS A 98 8.964 -15.000 3.833 1.00 0.00 H new ATOM 0 HD2 LYS A 98 10.388 -16.781 3.861 1.00 0.00 H new ATOM 0 HD3 LYS A 98 9.951 -16.964 2.174 1.00 0.00 H new ATOM 0 HE2 LYS A 98 11.872 -15.485 1.521 1.00 0.00 H new ATOM 0 HE3 LYS A 98 12.313 -15.320 3.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 13.649 -16.972 2.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 12.694 -17.698 3.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 12.267 -17.859 1.678 1.00 0.00 H new ATOM 1552 N SER A 99 7.600 -13.803 -0.712 1.00 0.00 N ATOM 1553 CA SER A 99 6.501 -13.939 -1.653 1.00 0.00 C ATOM 1554 C SER A 99 6.641 -13.051 -2.888 1.00 0.00 C ATOM 1555 O SER A 99 5.754 -13.095 -3.734 1.00 0.00 O ATOM 1556 CB SER A 99 5.174 -13.740 -0.924 1.00 0.00 C ATOM 1557 OG SER A 99 5.093 -14.683 0.127 1.00 0.00 O ATOM 0 H SER A 99 7.432 -13.128 0.034 1.00 0.00 H new ATOM 0 HA SER A 99 6.528 -14.953 -2.052 1.00 0.00 H new ATOM 0 HB2 SER A 99 5.107 -12.726 -0.529 1.00 0.00 H new ATOM 0 HB3 SER A 99 4.340 -13.869 -1.614 1.00 0.00 H new ATOM 0 HG SER A 99 4.346 -15.295 -0.040 1.00 0.00 H new ATOM 1563 N GLY A 100 7.699 -12.233 -2.986 1.00 0.00 N ATOM 1564 CA GLY A 100 8.036 -11.463 -4.181 1.00 0.00 C ATOM 1565 C GLY A 100 6.945 -10.506 -4.664 1.00 0.00 C ATOM 1566 O GLY A 100 7.045 -9.989 -5.765 1.00 0.00 O ATOM 0 H GLY A 100 8.355 -12.089 -2.218 1.00 0.00 H new ATOM 0 HA2 GLY A 100 8.940 -10.888 -3.981 1.00 0.00 H new ATOM 0 HA3 GLY A 100 8.272 -12.157 -4.987 1.00 0.00 H new ATOM 1570 N VAL A 101 5.939 -10.236 -3.830 1.00 0.00 N ATOM 1571 CA VAL A 101 4.735 -9.480 -4.120 1.00 0.00 C ATOM 1572 C VAL A 101 5.047 -8.168 -4.838 1.00 0.00 C ATOM 1573 O VAL A 101 5.780 -7.364 -4.265 1.00 0.00 O ATOM 1574 CB VAL A 101 4.055 -9.220 -2.771 1.00 0.00 C ATOM 1575 CG1 VAL A 101 2.688 -8.579 -2.931 1.00 0.00 C ATOM 1576 CG2 VAL A 101 3.955 -10.457 -1.868 1.00 0.00 C ATOM 0 H VAL A 101 5.953 -10.568 -2.866 1.00 0.00 H new ATOM 0 HA VAL A 101 4.084 -10.039 -4.792 1.00 0.00 H new ATOM 0 HB VAL A 101 4.718 -8.517 -2.267 1.00 0.00 H new ATOM 0 HG11 VAL A 101 2.246 -8.414 -1.948 1.00 0.00 H new ATOM 0 HG12 VAL A 101 2.792 -7.624 -3.447 1.00 0.00 H new ATOM 0 HG13 VAL A 101 2.043 -9.237 -3.513 1.00 0.00 H new ATOM 0 HG21 VAL A 101 3.462 -10.187 -0.934 1.00 0.00 H new ATOM 0 HG22 VAL A 101 3.377 -11.231 -2.373 1.00 0.00 H new ATOM 0 HG23 VAL A 101 4.955 -10.833 -1.654 1.00 0.00 H new ATOM 1586 N VAL A 102 4.484 -7.908 -6.022 1.00 0.00 N ATOM 1587 CA VAL A 102 4.679 -6.631 -6.713 1.00 0.00 C ATOM 1588 C VAL A 102 3.396 -5.789 -6.640 1.00 0.00 C ATOM 1589 O VAL A 102 2.314 -6.329 -6.405 1.00 0.00 O ATOM 1590 CB VAL A 102 5.326 -6.794 -8.104 1.00 0.00 C ATOM 1591 CG1 VAL A 102 6.181 -8.060 -8.253 1.00 0.00 C ATOM 1592 CG2 VAL A 102 4.402 -6.581 -9.307 1.00 0.00 C ATOM 0 H VAL A 102 3.888 -8.567 -6.523 1.00 0.00 H new ATOM 0 HA VAL A 102 5.432 -6.042 -6.189 1.00 0.00 H new ATOM 0 HB VAL A 102 6.008 -5.944 -8.132 1.00 0.00 H new ATOM 0 HG11 VAL A 102 6.600 -8.100 -9.259 1.00 0.00 H new ATOM 0 HG12 VAL A 102 6.991 -8.040 -7.523 1.00 0.00 H new ATOM 0 HG13 VAL A 102 5.561 -8.940 -8.083 1.00 0.00 H new ATOM 0 HG21 VAL A 102 4.967 -6.721 -10.229 1.00 0.00 H new ATOM 0 HG22 VAL A 102 3.584 -7.300 -9.269 1.00 0.00 H new ATOM 0 HG23 VAL A 102 3.997 -5.569 -9.280 1.00 0.00 H new ATOM 1602 N LEU A 103 3.487 -4.464 -6.776 1.00 0.00 N ATOM 1603 CA LEU A 103 2.323 -3.600 -6.906 1.00 0.00 C ATOM 1604 C LEU A 103 1.849 -3.647 -8.347 1.00 0.00 C ATOM 1605 O LEU A 103 2.663 -3.537 -9.262 1.00 0.00 O ATOM 1606 CB LEU A 103 2.680 -2.153 -6.563 1.00 0.00 C ATOM 1607 CG LEU A 103 3.228 -1.929 -5.149 1.00 0.00 C ATOM 1608 CD1 LEU A 103 3.374 -0.433 -4.920 1.00 0.00 C ATOM 1609 CD2 LEU A 103 2.287 -2.474 -4.084 1.00 0.00 C ATOM 0 H LEU A 103 4.375 -3.963 -6.799 1.00 0.00 H new ATOM 0 HA LEU A 103 1.548 -3.946 -6.222 1.00 0.00 H new ATOM 0 HB2 LEU A 103 3.419 -1.799 -7.281 1.00 0.00 H new ATOM 0 HB3 LEU A 103 1.790 -1.537 -6.691 1.00 0.00 H new ATOM 0 HG LEU A 103 4.182 -2.450 -5.071 1.00 0.00 H new ATOM 0 HD11 LEU A 103 3.763 -0.255 -3.918 1.00 0.00 H new ATOM 0 HD12 LEU A 103 4.063 -0.018 -5.656 1.00 0.00 H new ATOM 0 HD13 LEU A 103 2.401 0.047 -5.022 1.00 0.00 H new ATOM 0 HD21 LEU A 103 2.712 -2.295 -3.097 1.00 0.00 H new ATOM 0 HD22 LEU A 103 1.322 -1.972 -4.160 1.00 0.00 H new ATOM 0 HD23 LEU A 103 2.152 -3.545 -4.232 1.00 0.00 H new ATOM 1621 N HIS A 104 0.542 -3.750 -8.553 1.00 0.00 N ATOM 1622 CA HIS A 104 -0.032 -3.892 -9.890 1.00 0.00 C ATOM 1623 C HIS A 104 -1.341 -3.115 -10.015 1.00 0.00 C ATOM 1624 O HIS A 104 -1.598 -2.563 -11.084 1.00 0.00 O ATOM 1625 CB HIS A 104 -0.274 -5.379 -10.193 1.00 0.00 C ATOM 1626 CG HIS A 104 0.838 -6.173 -10.836 1.00 0.00 C ATOM 1627 ND1 HIS A 104 1.839 -5.716 -11.662 1.00 0.00 N ATOM 1628 CD2 HIS A 104 0.961 -7.536 -10.771 1.00 0.00 C ATOM 1629 CE1 HIS A 104 2.551 -6.779 -12.067 1.00 0.00 C ATOM 1630 NE2 HIS A 104 2.054 -7.919 -11.555 1.00 0.00 N ATOM 0 H HIS A 104 -0.149 -3.738 -7.803 1.00 0.00 H new ATOM 0 HA HIS A 104 0.674 -3.481 -10.612 1.00 0.00 H new ATOM 0 HB2 HIS A 104 -0.533 -5.871 -9.255 1.00 0.00 H new ATOM 0 HB3 HIS A 104 -1.148 -5.447 -10.841 1.00 0.00 H new ATOM 0 HD1 HIS A 104 2.009 -4.744 -11.920 1.00 0.00 H new ATOM 0 HD2 HIS A 104 0.322 -8.202 -10.210 1.00 0.00 H new ATOM 0 HE1 HIS A 104 3.411 -6.726 -12.719 1.00 0.00 H new ATOM 1638 N ARG A 105 -2.178 -3.044 -8.974 1.00 0.00 N ATOM 1639 CA ARG A 105 -3.462 -2.353 -9.041 1.00 0.00 C ATOM 1640 C ARG A 105 -3.793 -1.720 -7.701 1.00 0.00 C ATOM 1641 O ARG A 105 -3.492 -2.299 -6.668 1.00 0.00 O ATOM 1642 CB ARG A 105 -4.553 -3.364 -9.432 1.00 0.00 C ATOM 1643 CG ARG A 105 -5.758 -2.674 -10.084 1.00 0.00 C ATOM 1644 CD ARG A 105 -5.395 -2.462 -11.555 1.00 0.00 C ATOM 1645 NE ARG A 105 -6.315 -1.593 -12.289 1.00 0.00 N ATOM 1646 CZ ARG A 105 -6.074 -1.174 -13.540 1.00 0.00 C ATOM 1647 NH1 ARG A 105 -4.962 -1.538 -14.177 1.00 0.00 N ATOM 1648 NH2 ARG A 105 -6.944 -0.385 -14.154 1.00 0.00 N ATOM 0 H ARG A 105 -1.981 -3.464 -8.066 1.00 0.00 H new ATOM 0 HA ARG A 105 -3.409 -1.561 -9.788 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -4.138 -4.099 -10.121 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -4.880 -3.907 -8.546 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -6.654 -3.288 -9.990 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -5.971 -1.723 -9.596 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -4.392 -2.038 -11.611 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -5.359 -3.432 -12.050 1.00 0.00 H new ATOM 0 HE ARG A 105 -7.175 -1.293 -11.830 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -4.283 -2.142 -13.713 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -4.790 -1.213 -15.128 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -7.797 -0.096 -13.675 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -6.760 -0.066 -15.105 1.00 0.00 H new ATOM 1662 N ALA A 106 -4.407 -0.543 -7.692 1.00 0.00 N ATOM 1663 CA ALA A 106 -4.785 0.136 -6.460 1.00 0.00 C ATOM 1664 C ALA A 106 -6.302 0.110 -6.334 1.00 0.00 C ATOM 1665 O ALA A 106 -6.978 0.432 -7.310 1.00 0.00 O ATOM 1666 CB ALA A 106 -4.273 1.572 -6.513 1.00 0.00 C ATOM 0 H ALA A 106 -4.657 -0.033 -8.539 1.00 0.00 H new ATOM 0 HA ALA A 106 -4.349 -0.362 -5.594 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -4.550 2.091 -5.595 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -3.188 1.568 -6.614 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -4.715 2.085 -7.367 1.00 0.00 H new ATOM 1672 N VAL A 107 -6.837 -0.248 -5.168 1.00 0.00 N ATOM 1673 CA VAL A 107 -8.278 -0.281 -4.919 1.00 0.00 C ATOM 1674 C VAL A 107 -8.762 1.151 -4.646 1.00 0.00 C ATOM 1675 O VAL A 107 -8.368 1.728 -3.634 1.00 0.00 O ATOM 1676 CB VAL A 107 -8.557 -1.231 -3.746 1.00 0.00 C ATOM 1677 CG1 VAL A 107 -10.045 -1.277 -3.410 1.00 0.00 C ATOM 1678 CG2 VAL A 107 -8.090 -2.652 -4.088 1.00 0.00 C ATOM 0 H VAL A 107 -6.278 -0.526 -4.362 1.00 0.00 H new ATOM 0 HA VAL A 107 -8.825 -0.657 -5.783 1.00 0.00 H new ATOM 0 HB VAL A 107 -8.008 -0.852 -2.884 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -10.209 -1.959 -2.575 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -10.387 -0.279 -3.136 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -10.603 -1.626 -4.278 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -8.294 -3.314 -3.247 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -8.624 -3.008 -4.969 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -7.019 -2.644 -4.292 1.00 0.00 H new ATOM 1688 N PRO A 108 -9.557 1.768 -5.530 1.00 0.00 N ATOM 1689 CA PRO A 108 -9.890 3.178 -5.434 1.00 0.00 C ATOM 1690 C PRO A 108 -11.164 3.437 -4.616 1.00 0.00 C ATOM 1691 O PRO A 108 -12.278 3.230 -5.105 1.00 0.00 O ATOM 1692 CB PRO A 108 -10.031 3.620 -6.877 1.00 0.00 C ATOM 1693 CG PRO A 108 -10.577 2.376 -7.594 1.00 0.00 C ATOM 1694 CD PRO A 108 -10.087 1.202 -6.761 1.00 0.00 C ATOM 0 HA PRO A 108 -9.126 3.741 -4.899 1.00 0.00 H new ATOM 0 HB2 PRO A 108 -10.712 4.466 -6.971 1.00 0.00 H new ATOM 0 HB3 PRO A 108 -9.074 3.933 -7.294 1.00 0.00 H new ATOM 0 HG2 PRO A 108 -11.665 2.396 -7.648 1.00 0.00 H new ATOM 0 HG3 PRO A 108 -10.208 2.316 -8.618 1.00 0.00 H new ATOM 0 HD2 PRO A 108 -10.901 0.508 -6.551 1.00 0.00 H new ATOM 0 HD3 PRO A 108 -9.319 0.641 -7.293 1.00 0.00 H new ATOM 1702 N SER A 109 -10.983 3.909 -3.385 1.00 0.00 N ATOM 1703 CA SER A 109 -12.030 4.088 -2.366 1.00 0.00 C ATOM 1704 C SER A 109 -12.606 5.506 -2.352 1.00 0.00 C ATOM 1705 O SER A 109 -13.654 5.732 -1.741 1.00 0.00 O ATOM 1706 CB SER A 109 -11.460 3.713 -0.990 1.00 0.00 C ATOM 1707 OG SER A 109 -12.398 3.754 0.069 1.00 0.00 O ATOM 0 H SER A 109 -10.062 4.192 -3.049 1.00 0.00 H new ATOM 0 HA SER A 109 -12.861 3.428 -2.616 1.00 0.00 H new ATOM 0 HB2 SER A 109 -11.040 2.709 -1.047 1.00 0.00 H new ATOM 0 HB3 SER A 109 -10.638 4.389 -0.756 1.00 0.00 H new ATOM 0 HG SER A 109 -12.334 2.930 0.595 1.00 0.00 H new ATOM 1713 N GLY A 110 -11.952 6.449 -3.029 1.00 0.00 N ATOM 1714 CA GLY A 110 -12.302 7.858 -3.015 1.00 0.00 C ATOM 1715 C GLY A 110 -11.189 8.683 -2.365 1.00 0.00 C ATOM 1716 O GLY A 110 -10.187 8.125 -1.905 1.00 0.00 O ATOM 0 H GLY A 110 -11.144 6.243 -3.616 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -12.472 8.206 -4.034 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -13.234 8.001 -2.469 1.00 0.00 H new ATOM 1720 N PRO A 111 -11.348 10.017 -2.332 1.00 0.00 N ATOM 1721 CA PRO A 111 -10.341 10.941 -1.817 1.00 0.00 C ATOM 1722 C PRO A 111 -10.236 10.866 -0.297 1.00 0.00 C ATOM 1723 O PRO A 111 -9.163 11.106 0.261 1.00 0.00 O ATOM 1724 CB PRO A 111 -10.834 12.327 -2.258 1.00 0.00 C ATOM 1725 CG PRO A 111 -12.353 12.168 -2.332 1.00 0.00 C ATOM 1726 CD PRO A 111 -12.505 10.741 -2.847 1.00 0.00 C ATOM 0 HA PRO A 111 -9.345 10.708 -2.194 1.00 0.00 H new ATOM 0 HB2 PRO A 111 -10.547 13.099 -1.544 1.00 0.00 H new ATOM 0 HB3 PRO A 111 -10.414 12.613 -3.223 1.00 0.00 H new ATOM 0 HG2 PRO A 111 -12.824 12.301 -1.358 1.00 0.00 H new ATOM 0 HG3 PRO A 111 -12.806 12.894 -3.007 1.00 0.00 H new ATOM 0 HD2 PRO A 111 -13.436 10.294 -2.497 1.00 0.00 H new ATOM 0 HD3 PRO A 111 -12.530 10.717 -3.936 1.00 0.00 H new ATOM 1734 N SER A 112 -11.352 10.608 0.385 1.00 0.00 N ATOM 1735 CA SER A 112 -11.561 10.977 1.772 1.00 0.00 C ATOM 1736 C SER A 112 -11.977 9.732 2.546 1.00 0.00 C ATOM 1737 O SER A 112 -13.148 9.346 2.543 1.00 0.00 O ATOM 1738 CB SER A 112 -12.578 12.123 1.835 1.00 0.00 C ATOM 1739 OG SER A 112 -12.166 13.193 0.994 1.00 0.00 O ATOM 0 H SER A 112 -12.150 10.125 -0.028 1.00 0.00 H new ATOM 0 HA SER A 112 -10.650 11.350 2.240 1.00 0.00 H new ATOM 0 HB2 SER A 112 -13.560 11.765 1.525 1.00 0.00 H new ATOM 0 HB3 SER A 112 -12.677 12.475 2.862 1.00 0.00 H new ATOM 0 HG SER A 112 -12.824 13.918 1.041 1.00 0.00 H new ATOM 1745 N SER A 113 -10.973 9.115 3.164 1.00 0.00 N ATOM 1746 CA SER A 113 -11.007 7.911 3.970 1.00 0.00 C ATOM 1747 C SER A 113 -12.210 7.920 4.913 1.00 0.00 C ATOM 1748 O SER A 113 -12.341 8.841 5.722 1.00 0.00 O ATOM 1749 CB SER A 113 -9.672 7.891 4.724 1.00 0.00 C ATOM 1750 OG SER A 113 -9.502 6.741 5.505 1.00 0.00 O ATOM 0 H SER A 113 -10.025 9.487 3.103 1.00 0.00 H new ATOM 0 HA SER A 113 -11.124 7.011 3.366 1.00 0.00 H new ATOM 0 HB2 SER A 113 -8.855 7.960 4.006 1.00 0.00 H new ATOM 0 HB3 SER A 113 -9.609 8.771 5.364 1.00 0.00 H new ATOM 0 HG SER A 113 -8.717 6.850 6.081 1.00 0.00 H new ATOM 1756 N GLY A 114 -13.042 6.880 4.853 1.00 0.00 N ATOM 1757 CA GLY A 114 -14.227 6.740 5.687 1.00 0.00 C ATOM 1758 C GLY A 114 -15.366 7.477 5.029 1.00 0.00 C ATOM 1759 O GLY A 114 -15.729 8.562 5.518 1.00 0.00 O ATOM 0 H GLY A 114 -12.905 6.100 4.211 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -14.480 5.687 5.812 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -14.040 7.143 6.682 1.00 0.00 H new TER 1763 GLY A 114