USER MOD reduce.3.24.130724 H: found=0, std=0, add=886, rem=0, adj=23 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 91 THR OG1 : rot -112:sc= 2.13 USER MOD Set 1.2: A 93 GLN : amide:sc= 0.852 K(o=3,f=0.53) USER MOD Set 2.1: A 20 HIS : no HE2:sc= -2.23 X(o=-2.1,f=-2.4) USER MOD Set 2.2: A 109 SER OG : rot 105:sc= 0.125 USER MOD Set 3.1: A 19 TYR OH : rot 66:sc= 1.22 USER MOD Set 3.2: A 49 TYR OH : rot 180:sc= 1.03 USER MOD Set 4.1: A 3 SER OG : rot 124:sc= 1.19 USER MOD Set 4.2: A 5 SER OG : rot 180:sc= 1.06 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 6 SER OG : rot -78:sc= 0.62 USER MOD Single : A 10 GLN : amide:sc= -0.403 X(o=-0.4,f=0) USER MOD Single : A 11 LYS NZ :NH3+ 165:sc= -0.0817 (180deg=-0.157) USER MOD Single : A 14 HIS : no HD1:sc= -0.834 X(o=-0.83,f=-1.2) USER MOD Single : A 16 GLN : amide:sc= 1.37 K(o=1.4,f=-0.65) USER MOD Single : A 34 HIS : no HD1:sc= -0.259 X(o=-0.26,f=0.0032) USER MOD Single : A 35 SER OG : rot 42:sc= 0.224 USER MOD Single : A 43 SER OG : rot -25:sc= 1.79 USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0108) USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 SER OG : rot 110:sc= -0.439 USER MOD Single : A 61 HIS : no HD1:sc= -0.0514 X(o=-0.051,f=-0.04) USER MOD Single : A 65 GLN : amide:sc= -1.1! C(o=-1.1!,f=-3.7!) USER MOD Single : A 66 SER OG : rot 25:sc= 0.0928 USER MOD Single : A 69 ASN : amide:sc= -0.248 X(o=-0.25,f=-0.63) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= -0.052 USER MOD Single : A 87 HIS : no HD1:sc= -0.254 X(o=-0.25,f=-0.031) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 92 GLN :FLIP amide:sc= -0.41 F(o=-1.5,f=-0.41) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0.477 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 165:sc= 0.126 USER MOD Single : A 104 HIS : no HD1:sc= -0.377 K(o=-0.38,f=-0.93) USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -17.744 5.863 -15.648 1.00 0.00 N ATOM 2 CA GLY A 1 -16.908 5.671 -16.839 1.00 0.00 C ATOM 3 C GLY A 1 -15.470 5.964 -16.531 1.00 0.00 C ATOM 4 O GLY A 1 -15.147 7.070 -16.095 1.00 0.00 O ATOM 0 H1 GLY A 1 -18.736 5.655 -15.883 1.00 0.00 H new ATOM 0 H2 GLY A 1 -17.425 5.223 -14.893 1.00 0.00 H new ATOM 0 H3 GLY A 1 -17.664 6.848 -15.323 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -17.007 4.646 -17.197 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -17.253 6.324 -17.641 1.00 0.00 H new ATOM 8 N SER A 2 -14.601 4.974 -16.724 1.00 0.00 N ATOM 9 CA SER A 2 -13.268 5.073 -16.171 1.00 0.00 C ATOM 10 C SER A 2 -12.394 5.982 -17.027 1.00 0.00 C ATOM 11 O SER A 2 -12.536 6.061 -18.247 1.00 0.00 O ATOM 12 CB SER A 2 -12.664 3.680 -15.990 1.00 0.00 C ATOM 13 OG SER A 2 -13.591 2.846 -15.314 1.00 0.00 O ATOM 0 H SER A 2 -14.795 4.119 -17.246 1.00 0.00 H new ATOM 0 HA SER A 2 -13.324 5.531 -15.184 1.00 0.00 H new ATOM 0 HB2 SER A 2 -12.414 3.252 -16.961 1.00 0.00 H new ATOM 0 HB3 SER A 2 -11.736 3.745 -15.422 1.00 0.00 H new ATOM 0 HG SER A 2 -13.204 1.953 -15.200 1.00 0.00 H new ATOM 19 N SER A 3 -11.457 6.619 -16.348 1.00 0.00 N ATOM 20 CA SER A 3 -10.386 7.442 -16.884 1.00 0.00 C ATOM 21 C SER A 3 -9.003 6.865 -16.535 1.00 0.00 C ATOM 22 O SER A 3 -8.002 7.243 -17.149 1.00 0.00 O ATOM 23 CB SER A 3 -10.556 8.851 -16.308 1.00 0.00 C ATOM 24 OG SER A 3 -10.354 8.830 -14.905 1.00 0.00 O ATOM 0 H SER A 3 -11.422 6.571 -15.330 1.00 0.00 H new ATOM 0 HA SER A 3 -10.443 7.466 -17.972 1.00 0.00 H new ATOM 0 HB2 SER A 3 -9.845 9.532 -16.776 1.00 0.00 H new ATOM 0 HB3 SER A 3 -11.554 9.227 -16.534 1.00 0.00 H new ATOM 0 HG SER A 3 -9.643 9.461 -14.667 1.00 0.00 H new ATOM 30 N GLY A 4 -8.919 5.964 -15.545 1.00 0.00 N ATOM 31 CA GLY A 4 -7.653 5.435 -15.041 1.00 0.00 C ATOM 32 C GLY A 4 -6.936 6.398 -14.091 1.00 0.00 C ATOM 33 O GLY A 4 -5.788 6.134 -13.728 1.00 0.00 O ATOM 0 H GLY A 4 -9.737 5.582 -15.071 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -7.840 4.494 -14.523 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -6.999 5.210 -15.883 1.00 0.00 H new ATOM 37 N SER A 5 -7.598 7.493 -13.695 1.00 0.00 N ATOM 38 CA SER A 5 -7.081 8.539 -12.823 1.00 0.00 C ATOM 39 C SER A 5 -6.411 7.948 -11.580 1.00 0.00 C ATOM 40 O SER A 5 -7.097 7.451 -10.677 1.00 0.00 O ATOM 41 CB SER A 5 -8.220 9.471 -12.417 1.00 0.00 C ATOM 42 OG SER A 5 -8.616 10.303 -13.488 1.00 0.00 O ATOM 0 H SER A 5 -8.556 7.676 -13.993 1.00 0.00 H new ATOM 0 HA SER A 5 -6.325 9.102 -13.370 1.00 0.00 H new ATOM 0 HB2 SER A 5 -9.072 8.880 -12.080 1.00 0.00 H new ATOM 0 HB3 SER A 5 -7.905 10.086 -11.574 1.00 0.00 H new ATOM 0 HG SER A 5 -9.348 10.886 -13.196 1.00 0.00 H new ATOM 48 N SER A 6 -5.082 7.968 -11.541 1.00 0.00 N ATOM 49 CA SER A 6 -4.255 7.370 -10.504 1.00 0.00 C ATOM 50 C SER A 6 -2.931 8.144 -10.434 1.00 0.00 C ATOM 51 O SER A 6 -2.881 9.301 -10.860 1.00 0.00 O ATOM 52 CB SER A 6 -4.103 5.869 -10.795 1.00 0.00 C ATOM 53 OG SER A 6 -3.470 5.629 -12.038 1.00 0.00 O ATOM 0 H SER A 6 -4.529 8.424 -12.267 1.00 0.00 H new ATOM 0 HA SER A 6 -4.709 7.441 -9.515 1.00 0.00 H new ATOM 0 HB2 SER A 6 -3.524 5.402 -9.998 1.00 0.00 H new ATOM 0 HB3 SER A 6 -5.086 5.398 -10.792 1.00 0.00 H new ATOM 0 HG SER A 6 -4.117 5.753 -12.764 1.00 0.00 H new ATOM 59 N GLY A 7 -1.871 7.551 -9.883 1.00 0.00 N ATOM 60 CA GLY A 7 -0.589 8.209 -9.700 1.00 0.00 C ATOM 61 C GLY A 7 -0.695 9.119 -8.488 1.00 0.00 C ATOM 62 O GLY A 7 -0.590 8.603 -7.379 1.00 0.00 O ATOM 0 H GLY A 7 -1.885 6.587 -9.549 1.00 0.00 H new ATOM 0 HA2 GLY A 7 0.200 7.471 -9.554 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -0.327 8.785 -10.587 1.00 0.00 H new ATOM 66 N GLU A 8 -0.939 10.421 -8.697 1.00 0.00 N ATOM 67 CA GLU A 8 -1.190 11.448 -7.672 1.00 0.00 C ATOM 68 C GLU A 8 -0.211 11.359 -6.488 1.00 0.00 C ATOM 69 O GLU A 8 -0.561 11.598 -5.340 1.00 0.00 O ATOM 70 CB GLU A 8 -2.663 11.442 -7.243 1.00 0.00 C ATOM 71 CG GLU A 8 -3.589 11.902 -8.372 1.00 0.00 C ATOM 72 CD GLU A 8 -3.422 13.344 -8.865 1.00 0.00 C ATOM 73 OE1 GLU A 8 -3.988 14.268 -8.247 1.00 0.00 O ATOM 74 OE2 GLU A 8 -2.816 13.552 -9.945 1.00 0.00 O ATOM 0 H GLU A 8 -0.968 10.809 -9.640 1.00 0.00 H new ATOM 0 HA GLU A 8 -0.993 12.420 -8.124 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -2.945 10.437 -6.929 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -2.792 12.094 -6.379 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -3.445 11.235 -9.222 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -4.619 11.775 -8.038 1.00 0.00 H new ATOM 81 N VAL A 9 1.026 10.978 -6.763 1.00 0.00 N ATOM 82 CA VAL A 9 2.041 10.556 -5.816 1.00 0.00 C ATOM 83 C VAL A 9 2.359 11.674 -4.840 1.00 0.00 C ATOM 84 O VAL A 9 2.663 11.425 -3.674 1.00 0.00 O ATOM 85 CB VAL A 9 3.301 10.216 -6.624 1.00 0.00 C ATOM 86 CG1 VAL A 9 4.406 9.643 -5.747 1.00 0.00 C ATOM 87 CG2 VAL A 9 2.998 9.224 -7.762 1.00 0.00 C ATOM 0 H VAL A 9 1.370 10.955 -7.723 1.00 0.00 H new ATOM 0 HA VAL A 9 1.688 9.697 -5.245 1.00 0.00 H new ATOM 0 HB VAL A 9 3.645 11.158 -7.052 1.00 0.00 H new ATOM 0 HG11 VAL A 9 5.278 9.417 -6.361 1.00 0.00 H new ATOM 0 HG12 VAL A 9 4.679 10.371 -4.983 1.00 0.00 H new ATOM 0 HG13 VAL A 9 4.053 8.730 -5.268 1.00 0.00 H new ATOM 0 HG21 VAL A 9 3.915 9.008 -8.311 1.00 0.00 H new ATOM 0 HG22 VAL A 9 2.600 8.300 -7.343 1.00 0.00 H new ATOM 0 HG23 VAL A 9 2.264 9.661 -8.439 1.00 0.00 H new ATOM 97 N GLN A 10 2.395 12.903 -5.358 1.00 0.00 N ATOM 98 CA GLN A 10 2.795 14.039 -4.571 1.00 0.00 C ATOM 99 C GLN A 10 1.611 14.507 -3.716 1.00 0.00 C ATOM 100 O GLN A 10 1.808 15.328 -2.815 1.00 0.00 O ATOM 101 CB GLN A 10 3.287 15.198 -5.457 1.00 0.00 C ATOM 102 CG GLN A 10 4.204 14.831 -6.635 1.00 0.00 C ATOM 103 CD GLN A 10 5.558 14.233 -6.255 1.00 0.00 C ATOM 104 OE1 GLN A 10 6.410 14.900 -5.673 1.00 0.00 O ATOM 105 NE2 GLN A 10 5.817 12.987 -6.624 1.00 0.00 N ATOM 0 H GLN A 10 2.149 13.123 -6.323 1.00 0.00 H new ATOM 0 HA GLN A 10 3.623 13.735 -3.931 1.00 0.00 H new ATOM 0 HB2 GLN A 10 2.414 15.715 -5.855 1.00 0.00 H new ATOM 0 HB3 GLN A 10 3.817 15.909 -4.823 1.00 0.00 H new ATOM 0 HG2 GLN A 10 3.679 14.120 -7.273 1.00 0.00 H new ATOM 0 HG3 GLN A 10 4.377 15.727 -7.231 1.00 0.00 H new ATOM 0 HE21 GLN A 10 5.105 12.440 -7.107 1.00 0.00 H new ATOM 0 HE22 GLN A 10 6.729 12.575 -6.425 1.00 0.00 H new ATOM 114 N LYS A 11 0.369 14.092 -4.018 1.00 0.00 N ATOM 115 CA LYS A 11 -0.786 14.410 -3.179 1.00 0.00 C ATOM 116 C LYS A 11 -0.605 13.736 -1.816 1.00 0.00 C ATOM 117 O LYS A 11 0.072 12.709 -1.724 1.00 0.00 O ATOM 118 CB LYS A 11 -2.103 13.973 -3.841 1.00 0.00 C ATOM 119 CG LYS A 11 -2.428 14.772 -5.116 1.00 0.00 C ATOM 120 CD LYS A 11 -3.898 15.207 -5.210 1.00 0.00 C ATOM 121 CE LYS A 11 -4.901 14.068 -5.453 1.00 0.00 C ATOM 122 NZ LYS A 11 -5.429 13.466 -4.212 1.00 0.00 N ATOM 0 H LYS A 11 0.145 13.534 -4.842 1.00 0.00 H new ATOM 0 HA LYS A 11 -0.845 15.491 -3.048 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -2.045 12.913 -4.088 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -2.919 14.090 -3.127 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -1.793 15.657 -5.152 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -2.180 14.166 -5.988 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -4.169 15.718 -4.286 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -3.995 15.934 -6.017 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -5.734 14.449 -6.044 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -4.418 13.291 -6.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -6.270 12.895 -4.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -4.701 12.859 -3.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -5.688 14.219 -3.544 1.00 0.00 H new ATOM 136 N PRO A 12 -1.196 14.281 -0.742 1.00 0.00 N ATOM 137 CA PRO A 12 -0.993 13.712 0.574 1.00 0.00 C ATOM 138 C PRO A 12 -1.649 12.349 0.644 1.00 0.00 C ATOM 139 O PRO A 12 -2.700 12.128 0.037 1.00 0.00 O ATOM 140 CB PRO A 12 -1.654 14.656 1.573 1.00 0.00 C ATOM 141 CG PRO A 12 -2.636 15.458 0.728 1.00 0.00 C ATOM 142 CD PRO A 12 -2.031 15.468 -0.676 1.00 0.00 C ATOM 0 HA PRO A 12 0.068 13.594 0.793 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -2.164 14.106 2.364 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -0.922 15.303 2.056 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -3.625 14.999 0.729 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -2.754 16.470 1.114 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -2.809 15.445 -1.440 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -1.445 16.371 -0.845 1.00 0.00 H new ATOM 150 N LEU A 13 -1.095 11.504 1.509 1.00 0.00 N ATOM 151 CA LEU A 13 -1.663 10.245 1.955 1.00 0.00 C ATOM 152 C LEU A 13 -3.141 10.431 2.282 1.00 0.00 C ATOM 153 O LEU A 13 -3.962 9.645 1.815 1.00 0.00 O ATOM 154 CB LEU A 13 -0.825 9.736 3.134 1.00 0.00 C ATOM 155 CG LEU A 13 -1.144 8.294 3.577 1.00 0.00 C ATOM 156 CD1 LEU A 13 0.014 7.795 4.443 1.00 0.00 C ATOM 157 CD2 LEU A 13 -2.390 8.141 4.443 1.00 0.00 C ATOM 0 H LEU A 13 -0.189 11.694 1.938 1.00 0.00 H new ATOM 0 HA LEU A 13 -1.627 9.485 1.174 1.00 0.00 H new ATOM 0 HB2 LEU A 13 0.229 9.794 2.864 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -0.974 10.404 3.983 1.00 0.00 H new ATOM 0 HG LEU A 13 -1.304 7.739 2.653 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -0.189 6.775 4.769 1.00 0.00 H new ATOM 0 HD12 LEU A 13 0.937 7.814 3.863 1.00 0.00 H new ATOM 0 HD13 LEU A 13 0.121 8.440 5.315 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -2.527 7.091 4.701 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -2.273 8.727 5.355 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -3.261 8.496 3.893 1.00 0.00 H new ATOM 169 N HIS A 14 -3.492 11.492 3.020 1.00 0.00 N ATOM 170 CA HIS A 14 -4.863 11.684 3.484 1.00 0.00 C ATOM 171 C HIS A 14 -5.863 12.053 2.368 1.00 0.00 C ATOM 172 O HIS A 14 -7.039 12.269 2.668 1.00 0.00 O ATOM 173 CB HIS A 14 -4.911 12.669 4.665 1.00 0.00 C ATOM 174 CG HIS A 14 -4.625 14.115 4.331 1.00 0.00 C ATOM 175 ND1 HIS A 14 -5.513 15.017 3.784 1.00 0.00 N ATOM 176 CD2 HIS A 14 -3.454 14.785 4.567 1.00 0.00 C ATOM 177 CE1 HIS A 14 -4.875 16.194 3.676 1.00 0.00 C ATOM 178 NE2 HIS A 14 -3.617 16.105 4.136 1.00 0.00 N ATOM 0 H HIS A 14 -2.844 12.226 3.306 1.00 0.00 H new ATOM 0 HA HIS A 14 -5.201 10.711 3.840 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -5.899 12.610 5.122 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -4.192 12.341 5.416 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -2.561 14.367 5.009 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -5.316 17.093 3.272 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -2.921 16.850 4.165 1.00 0.00 H new ATOM 186 N GLU A 15 -5.427 12.129 1.105 1.00 0.00 N ATOM 187 CA GLU A 15 -6.248 12.380 -0.083 1.00 0.00 C ATOM 188 C GLU A 15 -5.971 11.332 -1.178 1.00 0.00 C ATOM 189 O GLU A 15 -6.369 11.521 -2.333 1.00 0.00 O ATOM 190 CB GLU A 15 -5.986 13.801 -0.619 1.00 0.00 C ATOM 191 CG GLU A 15 -6.449 14.916 0.329 1.00 0.00 C ATOM 192 CD GLU A 15 -5.964 16.300 -0.111 1.00 0.00 C ATOM 193 OE1 GLU A 15 -6.033 16.614 -1.319 1.00 0.00 O ATOM 194 OE2 GLU A 15 -5.529 17.091 0.757 1.00 0.00 O ATOM 0 H GLU A 15 -4.441 12.011 0.873 1.00 0.00 H new ATOM 0 HA GLU A 15 -7.297 12.299 0.203 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -4.919 13.917 -0.807 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -6.493 13.917 -1.577 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -7.538 14.916 0.380 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -6.082 14.709 1.334 1.00 0.00 H new ATOM 201 N GLN A 16 -5.254 10.246 -0.868 1.00 0.00 N ATOM 202 CA GLN A 16 -5.012 9.149 -1.802 1.00 0.00 C ATOM 203 C GLN A 16 -6.302 8.358 -2.067 1.00 0.00 C ATOM 204 O GLN A 16 -7.370 8.696 -1.545 1.00 0.00 O ATOM 205 CB GLN A 16 -3.864 8.272 -1.271 1.00 0.00 C ATOM 206 CG GLN A 16 -2.495 8.971 -1.362 1.00 0.00 C ATOM 207 CD GLN A 16 -2.096 9.428 -2.767 1.00 0.00 C ATOM 208 OE1 GLN A 16 -2.521 8.853 -3.762 1.00 0.00 O ATOM 209 NE2 GLN A 16 -1.305 10.477 -2.891 1.00 0.00 N ATOM 0 H GLN A 16 -4.824 10.106 0.046 1.00 0.00 H new ATOM 0 HA GLN A 16 -4.703 9.547 -2.769 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -4.064 8.007 -0.233 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -3.831 7.341 -1.837 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -2.502 9.838 -0.702 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -1.731 8.291 -0.986 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -0.954 10.952 -2.059 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -1.045 10.813 -3.818 1.00 0.00 H new ATOM 218 N LEU A 17 -6.233 7.335 -2.926 1.00 0.00 N ATOM 219 CA LEU A 17 -7.392 6.552 -3.364 1.00 0.00 C ATOM 220 C LEU A 17 -7.303 5.148 -2.794 1.00 0.00 C ATOM 221 O LEU A 17 -8.297 4.654 -2.268 1.00 0.00 O ATOM 222 CB LEU A 17 -7.600 6.516 -4.895 1.00 0.00 C ATOM 223 CG LEU A 17 -6.399 6.627 -5.855 1.00 0.00 C ATOM 224 CD1 LEU A 17 -6.855 6.243 -7.269 1.00 0.00 C ATOM 225 CD2 LEU A 17 -5.810 8.049 -5.930 1.00 0.00 C ATOM 0 H LEU A 17 -5.356 7.023 -3.343 1.00 0.00 H new ATOM 0 HA LEU A 17 -8.273 7.062 -2.974 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -8.111 5.582 -5.127 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -8.286 7.325 -5.145 1.00 0.00 H new ATOM 0 HG LEU A 17 -5.628 5.960 -5.469 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -6.012 6.318 -7.956 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -7.230 5.219 -7.265 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -7.648 6.918 -7.592 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -4.968 8.058 -6.623 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -6.575 8.742 -6.280 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -5.469 8.354 -4.941 1.00 0.00 H new ATOM 237 N TRP A 18 -6.112 4.555 -2.825 1.00 0.00 N ATOM 238 CA TRP A 18 -5.822 3.272 -2.181 1.00 0.00 C ATOM 239 C TRP A 18 -5.827 3.333 -0.651 1.00 0.00 C ATOM 240 O TRP A 18 -5.717 2.301 0.014 1.00 0.00 O ATOM 241 CB TRP A 18 -4.515 2.696 -2.728 1.00 0.00 C ATOM 242 CG TRP A 18 -3.319 3.596 -2.792 1.00 0.00 C ATOM 243 CD1 TRP A 18 -2.700 3.991 -3.930 1.00 0.00 C ATOM 244 CD2 TRP A 18 -2.573 4.212 -1.696 1.00 0.00 C ATOM 245 NE1 TRP A 18 -1.665 4.843 -3.617 1.00 0.00 N ATOM 246 CE2 TRP A 18 -1.534 4.998 -2.260 1.00 0.00 C ATOM 247 CE3 TRP A 18 -2.653 4.207 -0.287 1.00 0.00 C ATOM 248 CZ2 TRP A 18 -0.649 5.741 -1.482 1.00 0.00 C ATOM 249 CZ3 TRP A 18 -1.785 4.979 0.509 1.00 0.00 C ATOM 250 CH2 TRP A 18 -0.771 5.745 -0.086 1.00 0.00 C ATOM 0 H TRP A 18 -5.307 4.957 -3.305 1.00 0.00 H new ATOM 0 HA TRP A 18 -6.640 2.597 -2.434 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -4.250 1.832 -2.118 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -4.709 2.327 -3.735 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -2.976 3.685 -4.928 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -1.070 5.301 -4.307 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -3.401 3.594 0.194 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 0.133 6.315 -1.956 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -1.900 4.982 1.583 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -0.095 6.328 0.522 1.00 0.00 H new ATOM 261 N TYR A 19 -5.897 4.527 -0.071 1.00 0.00 N ATOM 262 CA TYR A 19 -6.019 4.721 1.361 1.00 0.00 C ATOM 263 C TYR A 19 -7.489 4.474 1.728 1.00 0.00 C ATOM 264 O TYR A 19 -8.340 5.295 1.395 1.00 0.00 O ATOM 265 CB TYR A 19 -5.515 6.131 1.708 1.00 0.00 C ATOM 266 CG TYR A 19 -5.547 6.504 3.178 1.00 0.00 C ATOM 267 CD1 TYR A 19 -5.207 5.569 4.174 1.00 0.00 C ATOM 268 CD2 TYR A 19 -5.882 7.818 3.549 1.00 0.00 C ATOM 269 CE1 TYR A 19 -5.270 5.932 5.529 1.00 0.00 C ATOM 270 CE2 TYR A 19 -5.913 8.196 4.902 1.00 0.00 C ATOM 271 CZ TYR A 19 -5.611 7.249 5.901 1.00 0.00 C ATOM 272 OH TYR A 19 -5.607 7.610 7.212 1.00 0.00 O ATOM 0 H TYR A 19 -5.870 5.400 -0.597 1.00 0.00 H new ATOM 0 HA TYR A 19 -5.412 4.028 1.943 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -4.490 6.227 1.351 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -6.114 6.856 1.156 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -4.898 4.572 3.896 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -6.118 8.545 2.786 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -5.056 5.198 6.291 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -6.168 9.209 5.176 1.00 0.00 H new ATOM 0 HH TYR A 19 -4.691 7.577 7.558 1.00 0.00 H new ATOM 282 N HIS A 20 -7.801 3.326 2.345 1.00 0.00 N ATOM 283 CA HIS A 20 -9.160 3.006 2.805 1.00 0.00 C ATOM 284 C HIS A 20 -9.338 3.260 4.318 1.00 0.00 C ATOM 285 O HIS A 20 -10.437 3.087 4.843 1.00 0.00 O ATOM 286 CB HIS A 20 -9.544 1.555 2.455 1.00 0.00 C ATOM 287 CG HIS A 20 -9.929 1.247 1.030 1.00 0.00 C ATOM 288 ND1 HIS A 20 -11.187 0.855 0.619 1.00 0.00 N ATOM 289 CD2 HIS A 20 -9.103 1.187 -0.060 1.00 0.00 C ATOM 290 CE1 HIS A 20 -11.119 0.574 -0.692 1.00 0.00 C ATOM 291 NE2 HIS A 20 -9.867 0.757 -1.148 1.00 0.00 N ATOM 0 H HIS A 20 -7.119 2.593 2.539 1.00 0.00 H new ATOM 0 HA HIS A 20 -9.834 3.679 2.276 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -8.703 0.914 2.719 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -10.378 1.267 3.095 1.00 0.00 H new ATOM 0 HD1 HIS A 20 -12.019 0.790 1.206 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -8.050 1.429 -0.076 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -11.953 0.247 -1.296 1.00 0.00 H new ATOM 299 N GLY A 21 -8.293 3.663 5.048 1.00 0.00 N ATOM 300 CA GLY A 21 -8.378 4.111 6.430 1.00 0.00 C ATOM 301 C GLY A 21 -7.958 3.003 7.381 1.00 0.00 C ATOM 302 O GLY A 21 -6.766 2.741 7.509 1.00 0.00 O ATOM 0 H GLY A 21 -7.342 3.685 4.679 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -7.740 4.983 6.575 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -9.398 4.422 6.654 1.00 0.00 H new ATOM 306 N ALA A 22 -8.910 2.355 8.048 1.00 0.00 N ATOM 307 CA ALA A 22 -8.726 1.487 9.209 1.00 0.00 C ATOM 308 C ALA A 22 -9.465 0.156 9.107 1.00 0.00 C ATOM 309 O ALA A 22 -9.921 -0.415 10.094 1.00 0.00 O ATOM 310 CB ALA A 22 -9.102 2.266 10.470 1.00 0.00 C ATOM 0 H ALA A 22 -9.890 2.426 7.776 1.00 0.00 H new ATOM 0 HA ALA A 22 -7.675 1.203 9.254 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -8.969 1.629 11.344 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -8.462 3.144 10.560 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -10.143 2.581 10.406 1.00 0.00 H new ATOM 316 N ILE A 23 -9.566 -0.324 7.880 1.00 0.00 N ATOM 317 CA ILE A 23 -10.385 -1.466 7.494 1.00 0.00 C ATOM 318 C ILE A 23 -9.861 -2.743 8.192 1.00 0.00 C ATOM 319 O ILE A 23 -8.648 -2.855 8.399 1.00 0.00 O ATOM 320 CB ILE A 23 -10.477 -1.565 5.941 1.00 0.00 C ATOM 321 CG1 ILE A 23 -9.832 -2.844 5.384 1.00 0.00 C ATOM 322 CG2 ILE A 23 -9.916 -0.353 5.181 1.00 0.00 C ATOM 323 CD1 ILE A 23 -9.997 -3.064 3.886 1.00 0.00 C ATOM 0 H ILE A 23 -9.062 0.085 7.093 1.00 0.00 H new ATOM 0 HA ILE A 23 -11.412 -1.337 7.836 1.00 0.00 H new ATOM 0 HB ILE A 23 -11.552 -1.591 5.764 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -8.767 -2.823 5.615 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -10.255 -3.701 5.908 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -10.024 -0.514 4.108 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -10.464 0.544 5.470 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -8.861 -0.227 5.424 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -9.505 -3.993 3.598 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -11.058 -3.124 3.642 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -9.546 -2.232 3.344 1.00 0.00 H new ATOM 335 N PRO A 24 -10.708 -3.741 8.502 1.00 0.00 N ATOM 336 CA PRO A 24 -10.308 -5.024 9.083 1.00 0.00 C ATOM 337 C PRO A 24 -9.650 -5.940 8.051 1.00 0.00 C ATOM 338 O PRO A 24 -9.808 -5.766 6.844 1.00 0.00 O ATOM 339 CB PRO A 24 -11.603 -5.676 9.572 1.00 0.00 C ATOM 340 CG PRO A 24 -12.659 -5.087 8.651 1.00 0.00 C ATOM 341 CD PRO A 24 -12.139 -3.699 8.289 1.00 0.00 C ATOM 0 HA PRO A 24 -9.579 -4.866 9.878 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -11.561 -6.762 9.494 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -11.803 -5.439 10.617 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -12.794 -5.702 7.761 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -13.627 -5.028 9.148 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -12.372 -3.453 7.253 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -12.604 -2.934 8.911 1.00 0.00 H new ATOM 349 N ARG A 25 -8.974 -7.007 8.498 1.00 0.00 N ATOM 350 CA ARG A 25 -8.320 -7.900 7.540 1.00 0.00 C ATOM 351 C ARG A 25 -9.293 -8.583 6.586 1.00 0.00 C ATOM 352 O ARG A 25 -8.883 -8.910 5.476 1.00 0.00 O ATOM 353 CB ARG A 25 -7.402 -8.932 8.218 1.00 0.00 C ATOM 354 CG ARG A 25 -8.107 -10.193 8.748 1.00 0.00 C ATOM 355 CD ARG A 25 -7.096 -11.275 9.134 1.00 0.00 C ATOM 356 NE ARG A 25 -7.742 -12.593 9.227 1.00 0.00 N ATOM 357 CZ ARG A 25 -7.132 -13.774 9.366 1.00 0.00 C ATOM 358 NH1 ARG A 25 -5.809 -13.846 9.486 1.00 0.00 N ATOM 359 NH2 ARG A 25 -7.851 -14.890 9.376 1.00 0.00 N ATOM 0 H ARG A 25 -8.869 -7.265 9.479 1.00 0.00 H new ATOM 0 HA ARG A 25 -7.691 -7.245 6.936 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -6.637 -9.237 7.504 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -6.889 -8.447 9.048 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -8.715 -9.935 9.615 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -8.785 -10.580 7.987 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -6.296 -11.310 8.395 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -6.636 -11.023 10.090 1.00 0.00 H new ATOM 0 HE ARG A 25 -8.761 -12.607 9.181 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -5.249 -12.994 9.473 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -5.355 -14.753 9.592 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -8.865 -14.844 9.278 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -7.389 -15.793 9.482 1.00 0.00 H new ATOM 373 N ALA A 26 -10.530 -8.847 7.013 1.00 0.00 N ATOM 374 CA ALA A 26 -11.463 -9.593 6.182 1.00 0.00 C ATOM 375 C ALA A 26 -11.986 -8.721 5.041 1.00 0.00 C ATOM 376 O ALA A 26 -12.199 -9.233 3.943 1.00 0.00 O ATOM 377 CB ALA A 26 -12.613 -10.124 7.033 1.00 0.00 C ATOM 0 H ALA A 26 -10.901 -8.557 7.918 1.00 0.00 H new ATOM 0 HA ALA A 26 -10.939 -10.441 5.741 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -13.306 -10.681 6.402 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -12.219 -10.782 7.808 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -13.137 -9.289 7.498 1.00 0.00 H new ATOM 383 N GLU A 27 -12.174 -7.419 5.285 1.00 0.00 N ATOM 384 CA GLU A 27 -12.692 -6.502 4.270 1.00 0.00 C ATOM 385 C GLU A 27 -11.724 -6.438 3.093 1.00 0.00 C ATOM 386 O GLU A 27 -12.164 -6.303 1.966 1.00 0.00 O ATOM 387 CB GLU A 27 -12.899 -5.098 4.842 1.00 0.00 C ATOM 388 CG GLU A 27 -14.184 -4.962 5.662 1.00 0.00 C ATOM 389 CD GLU A 27 -15.493 -4.948 4.893 1.00 0.00 C ATOM 390 OE1 GLU A 27 -15.613 -4.199 3.896 1.00 0.00 O ATOM 391 OE2 GLU A 27 -16.408 -5.630 5.410 1.00 0.00 O ATOM 0 H GLU A 27 -11.973 -6.977 6.182 1.00 0.00 H new ATOM 0 HA GLU A 27 -13.658 -6.879 3.935 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -12.046 -4.840 5.470 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -12.921 -4.379 4.023 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -14.219 -5.785 6.376 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -14.121 -4.040 6.241 1.00 0.00 H new ATOM 398 N VAL A 28 -10.422 -6.616 3.327 1.00 0.00 N ATOM 399 CA VAL A 28 -9.401 -6.644 2.292 1.00 0.00 C ATOM 400 C VAL A 28 -9.871 -7.500 1.118 1.00 0.00 C ATOM 401 O VAL A 28 -9.990 -6.979 0.024 1.00 0.00 O ATOM 402 CB VAL A 28 -8.053 -7.117 2.869 1.00 0.00 C ATOM 403 CG1 VAL A 28 -6.986 -7.236 1.780 1.00 0.00 C ATOM 404 CG2 VAL A 28 -7.531 -6.179 3.971 1.00 0.00 C ATOM 0 H VAL A 28 -10.045 -6.747 4.266 1.00 0.00 H new ATOM 0 HA VAL A 28 -9.240 -5.634 1.914 1.00 0.00 H new ATOM 0 HB VAL A 28 -8.243 -8.099 3.302 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -6.049 -7.572 2.224 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -7.311 -7.957 1.030 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -6.837 -6.264 1.309 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -6.579 -6.554 4.347 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -7.391 -5.179 3.561 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -8.253 -6.139 4.787 1.00 0.00 H new ATOM 414 N ALA A 29 -10.094 -8.801 1.295 1.00 0.00 N ATOM 415 CA ALA A 29 -10.375 -9.678 0.152 1.00 0.00 C ATOM 416 C ALA A 29 -11.764 -9.437 -0.453 1.00 0.00 C ATOM 417 O ALA A 29 -12.062 -9.885 -1.558 1.00 0.00 O ATOM 418 CB ALA A 29 -10.254 -11.138 0.543 1.00 0.00 C ATOM 0 H ALA A 29 -10.087 -9.268 2.202 1.00 0.00 H new ATOM 0 HA ALA A 29 -9.629 -9.433 -0.604 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -10.467 -11.765 -0.322 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -9.242 -11.338 0.895 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -10.966 -11.362 1.338 1.00 0.00 H new ATOM 424 N GLU A 30 -12.630 -8.766 0.301 1.00 0.00 N ATOM 425 CA GLU A 30 -13.887 -8.238 -0.188 1.00 0.00 C ATOM 426 C GLU A 30 -13.622 -7.092 -1.187 1.00 0.00 C ATOM 427 O GLU A 30 -14.409 -6.931 -2.116 1.00 0.00 O ATOM 428 CB GLU A 30 -14.763 -7.898 1.037 1.00 0.00 C ATOM 429 CG GLU A 30 -15.826 -6.805 0.860 1.00 0.00 C ATOM 430 CD GLU A 30 -16.982 -7.202 -0.058 1.00 0.00 C ATOM 431 OE1 GLU A 30 -17.199 -8.409 -0.308 1.00 0.00 O ATOM 432 OE2 GLU A 30 -17.734 -6.298 -0.490 1.00 0.00 O ATOM 0 H GLU A 30 -12.468 -8.573 1.289 1.00 0.00 H new ATOM 0 HA GLU A 30 -14.457 -8.960 -0.772 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -15.267 -8.811 1.355 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -14.103 -7.598 1.851 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -16.227 -6.541 1.839 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -15.349 -5.910 0.460 1.00 0.00 H new ATOM 439 N LEU A 31 -12.498 -6.369 -1.084 1.00 0.00 N ATOM 440 CA LEU A 31 -12.105 -5.284 -1.979 1.00 0.00 C ATOM 441 C LEU A 31 -11.170 -5.772 -3.087 1.00 0.00 C ATOM 442 O LEU A 31 -11.308 -5.345 -4.234 1.00 0.00 O ATOM 443 CB LEU A 31 -11.362 -4.188 -1.191 1.00 0.00 C ATOM 444 CG LEU A 31 -12.132 -3.597 0.008 1.00 0.00 C ATOM 445 CD1 LEU A 31 -11.201 -2.687 0.789 1.00 0.00 C ATOM 446 CD2 LEU A 31 -13.360 -2.785 -0.399 1.00 0.00 C ATOM 0 H LEU A 31 -11.815 -6.534 -0.345 1.00 0.00 H new ATOM 0 HA LEU A 31 -13.021 -4.894 -2.423 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -10.420 -4.600 -0.829 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -11.113 -3.378 -1.876 1.00 0.00 H new ATOM 0 HG LEU A 31 -12.480 -4.440 0.605 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -11.735 -2.263 1.639 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -10.346 -3.261 1.147 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -10.852 -1.882 0.142 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -13.853 -2.399 0.493 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -13.052 -1.953 -1.032 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -14.052 -3.423 -0.949 1.00 0.00 H new ATOM 458 N LEU A 32 -10.156 -6.576 -2.745 1.00 0.00 N ATOM 459 CA LEU A 32 -9.124 -7.024 -3.671 1.00 0.00 C ATOM 460 C LEU A 32 -9.634 -8.266 -4.392 1.00 0.00 C ATOM 461 O LEU A 32 -9.975 -9.251 -3.733 1.00 0.00 O ATOM 462 CB LEU A 32 -7.798 -7.395 -2.980 1.00 0.00 C ATOM 463 CG LEU A 32 -7.300 -6.620 -1.753 1.00 0.00 C ATOM 464 CD1 LEU A 32 -5.949 -7.166 -1.335 1.00 0.00 C ATOM 465 CD2 LEU A 32 -7.173 -5.125 -1.967 1.00 0.00 C ATOM 0 H LEU A 32 -10.033 -6.937 -1.799 1.00 0.00 H new ATOM 0 HA LEU A 32 -8.922 -6.194 -4.348 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -7.873 -8.442 -2.687 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -7.016 -7.331 -3.736 1.00 0.00 H new ATOM 0 HG LEU A 32 -8.056 -6.761 -0.980 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -5.589 -6.619 -0.463 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -6.045 -8.223 -1.086 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -5.240 -7.049 -2.154 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -6.815 -4.655 -1.051 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -6.466 -4.932 -2.774 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -8.146 -4.711 -2.231 1.00 0.00 H new ATOM 477 N VAL A 33 -9.640 -8.254 -5.723 1.00 0.00 N ATOM 478 CA VAL A 33 -10.176 -9.350 -6.531 1.00 0.00 C ATOM 479 C VAL A 33 -9.199 -9.746 -7.641 1.00 0.00 C ATOM 480 O VAL A 33 -9.292 -10.851 -8.188 1.00 0.00 O ATOM 481 CB VAL A 33 -11.554 -8.931 -7.091 1.00 0.00 C ATOM 482 CG1 VAL A 33 -12.307 -10.102 -7.740 1.00 0.00 C ATOM 483 CG2 VAL A 33 -12.467 -8.337 -6.007 1.00 0.00 C ATOM 0 H VAL A 33 -9.271 -7.480 -6.276 1.00 0.00 H new ATOM 0 HA VAL A 33 -10.307 -10.235 -5.909 1.00 0.00 H new ATOM 0 HB VAL A 33 -11.329 -8.176 -7.844 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -13.268 -9.752 -8.117 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -11.717 -10.501 -8.565 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -12.470 -10.885 -6.999 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -13.423 -8.058 -6.450 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -12.632 -9.077 -5.224 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -11.995 -7.454 -5.577 1.00 0.00 H new ATOM 493 N HIS A 34 -8.230 -8.894 -7.960 1.00 0.00 N ATOM 494 CA HIS A 34 -7.274 -9.105 -9.032 1.00 0.00 C ATOM 495 C HIS A 34 -5.880 -9.153 -8.420 1.00 0.00 C ATOM 496 O HIS A 34 -5.554 -8.368 -7.527 1.00 0.00 O ATOM 497 CB HIS A 34 -7.418 -7.981 -10.064 1.00 0.00 C ATOM 498 CG HIS A 34 -8.848 -7.765 -10.520 1.00 0.00 C ATOM 499 ND1 HIS A 34 -9.478 -8.341 -11.600 1.00 0.00 N ATOM 500 CD2 HIS A 34 -9.784 -7.012 -9.868 1.00 0.00 C ATOM 501 CE1 HIS A 34 -10.755 -7.918 -11.607 1.00 0.00 C ATOM 502 NE2 HIS A 34 -10.993 -7.108 -10.562 1.00 0.00 N ATOM 0 H HIS A 34 -8.087 -8.014 -7.464 1.00 0.00 H new ATOM 0 HA HIS A 34 -7.455 -10.046 -9.551 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -7.036 -7.054 -9.637 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -6.798 -8.211 -10.931 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -9.617 -6.439 -8.968 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -11.488 -8.192 -12.351 1.00 0.00 H new ATOM 0 HE2 HIS A 34 -11.876 -6.656 -10.324 1.00 0.00 H new ATOM 510 N SER A 35 -5.054 -10.082 -8.886 1.00 0.00 N ATOM 511 CA SER A 35 -3.668 -10.226 -8.482 1.00 0.00 C ATOM 512 C SER A 35 -2.922 -8.908 -8.712 1.00 0.00 C ATOM 513 O SER A 35 -2.699 -8.534 -9.867 1.00 0.00 O ATOM 514 CB SER A 35 -3.056 -11.370 -9.298 1.00 0.00 C ATOM 515 OG SER A 35 -3.376 -11.235 -10.673 1.00 0.00 O ATOM 0 H SER A 35 -5.343 -10.775 -9.576 1.00 0.00 H new ATOM 0 HA SER A 35 -3.592 -10.462 -7.420 1.00 0.00 H new ATOM 0 HB2 SER A 35 -1.973 -11.375 -9.171 1.00 0.00 H new ATOM 0 HB3 SER A 35 -3.425 -12.326 -8.926 1.00 0.00 H new ATOM 0 HG SER A 35 -3.295 -10.295 -10.937 1.00 0.00 H new ATOM 521 N GLY A 36 -2.572 -8.201 -7.637 1.00 0.00 N ATOM 522 CA GLY A 36 -1.914 -6.907 -7.667 1.00 0.00 C ATOM 523 C GLY A 36 -2.711 -5.775 -7.033 1.00 0.00 C ATOM 524 O GLY A 36 -2.092 -4.742 -6.760 1.00 0.00 O ATOM 0 H GLY A 36 -2.749 -8.532 -6.688 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -0.955 -6.990 -7.155 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -1.700 -6.647 -8.704 1.00 0.00 H new ATOM 528 N ASP A 37 -4.018 -5.954 -6.796 1.00 0.00 N ATOM 529 CA ASP A 37 -4.897 -5.012 -6.091 1.00 0.00 C ATOM 530 C ASP A 37 -4.320 -4.802 -4.697 1.00 0.00 C ATOM 531 O ASP A 37 -4.275 -5.769 -3.938 1.00 0.00 O ATOM 532 CB ASP A 37 -6.325 -5.577 -5.919 1.00 0.00 C ATOM 533 CG ASP A 37 -7.300 -5.393 -7.080 1.00 0.00 C ATOM 534 OD1 ASP A 37 -7.122 -4.485 -7.927 1.00 0.00 O ATOM 535 OD2 ASP A 37 -8.286 -6.164 -7.093 1.00 0.00 O ATOM 0 H ASP A 37 -4.511 -6.793 -7.103 1.00 0.00 H new ATOM 0 HA ASP A 37 -4.953 -4.090 -6.670 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -6.242 -6.645 -5.715 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -6.765 -5.117 -5.034 1.00 0.00 H new ATOM 540 N PHE A 38 -3.891 -3.586 -4.343 1.00 0.00 N ATOM 541 CA PHE A 38 -3.435 -3.216 -3.004 1.00 0.00 C ATOM 542 C PHE A 38 -4.276 -2.076 -2.424 1.00 0.00 C ATOM 543 O PHE A 38 -4.854 -1.272 -3.162 1.00 0.00 O ATOM 544 CB PHE A 38 -1.931 -2.855 -2.968 1.00 0.00 C ATOM 545 CG PHE A 38 -1.544 -1.623 -3.753 1.00 0.00 C ATOM 546 CD1 PHE A 38 -1.650 -0.348 -3.172 1.00 0.00 C ATOM 547 CD2 PHE A 38 -1.082 -1.758 -5.075 1.00 0.00 C ATOM 548 CE1 PHE A 38 -1.330 0.791 -3.927 1.00 0.00 C ATOM 549 CE2 PHE A 38 -0.800 -0.617 -5.840 1.00 0.00 C ATOM 550 CZ PHE A 38 -0.936 0.659 -5.267 1.00 0.00 C ATOM 0 H PHE A 38 -3.851 -2.810 -5.003 1.00 0.00 H new ATOM 0 HA PHE A 38 -3.570 -4.099 -2.379 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -1.633 -2.712 -1.929 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -1.361 -3.703 -3.349 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -1.977 -0.245 -2.148 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -0.944 -2.741 -5.501 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -1.387 1.771 -3.476 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -0.479 -0.719 -6.866 1.00 0.00 H new ATOM 0 HZ PHE A 38 -0.737 1.540 -5.859 1.00 0.00 H new ATOM 560 N LEU A 39 -4.275 -1.975 -1.091 1.00 0.00 N ATOM 561 CA LEU A 39 -4.788 -0.867 -0.295 1.00 0.00 C ATOM 562 C LEU A 39 -3.892 -0.659 0.922 1.00 0.00 C ATOM 563 O LEU A 39 -3.062 -1.516 1.250 1.00 0.00 O ATOM 564 CB LEU A 39 -6.253 -1.105 0.119 1.00 0.00 C ATOM 565 CG LEU A 39 -6.510 -2.166 1.211 1.00 0.00 C ATOM 566 CD1 LEU A 39 -6.591 -1.613 2.620 1.00 0.00 C ATOM 567 CD2 LEU A 39 -7.843 -2.843 0.928 1.00 0.00 C ATOM 0 H LEU A 39 -3.890 -2.716 -0.506 1.00 0.00 H new ATOM 0 HA LEU A 39 -4.775 0.039 -0.901 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -6.666 -0.157 0.464 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -6.814 -1.392 -0.770 1.00 0.00 H new ATOM 0 HG LEU A 39 -5.658 -2.844 1.170 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -6.773 -2.428 3.321 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -5.652 -1.121 2.872 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -7.406 -0.892 2.682 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -8.038 -3.596 1.692 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -8.639 -2.099 0.940 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -7.808 -3.320 -0.051 1.00 0.00 H new ATOM 579 N VAL A 40 -4.095 0.468 1.600 1.00 0.00 N ATOM 580 CA VAL A 40 -3.482 0.820 2.873 1.00 0.00 C ATOM 581 C VAL A 40 -4.621 0.912 3.876 1.00 0.00 C ATOM 582 O VAL A 40 -5.677 1.488 3.580 1.00 0.00 O ATOM 583 CB VAL A 40 -2.654 2.111 2.721 1.00 0.00 C ATOM 584 CG1 VAL A 40 -2.058 2.665 4.025 1.00 0.00 C ATOM 585 CG2 VAL A 40 -1.502 1.815 1.760 1.00 0.00 C ATOM 0 H VAL A 40 -4.723 1.195 1.257 1.00 0.00 H new ATOM 0 HA VAL A 40 -2.766 0.078 3.227 1.00 0.00 H new ATOM 0 HB VAL A 40 -3.342 2.875 2.358 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -1.494 3.573 3.811 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -2.862 2.894 4.724 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -1.394 1.922 4.466 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -0.896 2.712 1.631 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -0.884 1.015 2.168 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -1.904 1.507 0.795 1.00 0.00 H new ATOM 595 N ARG A 41 -4.432 0.232 5.009 1.00 0.00 N ATOM 596 CA ARG A 41 -5.375 0.158 6.115 1.00 0.00 C ATOM 597 C ARG A 41 -4.625 0.387 7.432 1.00 0.00 C ATOM 598 O ARG A 41 -3.399 0.418 7.422 1.00 0.00 O ATOM 599 CB ARG A 41 -6.059 -1.209 6.109 1.00 0.00 C ATOM 600 CG ARG A 41 -5.111 -2.338 6.520 1.00 0.00 C ATOM 601 CD ARG A 41 -5.849 -3.677 6.446 1.00 0.00 C ATOM 602 NE ARG A 41 -6.251 -4.133 7.779 1.00 0.00 N ATOM 603 CZ ARG A 41 -5.652 -5.077 8.505 1.00 0.00 C ATOM 604 NH1 ARG A 41 -4.641 -5.784 8.009 1.00 0.00 N ATOM 605 NH2 ARG A 41 -6.057 -5.334 9.738 1.00 0.00 N ATOM 0 H ARG A 41 -3.581 -0.302 5.183 1.00 0.00 H new ATOM 0 HA ARG A 41 -6.140 0.927 6.009 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -6.911 -1.189 6.788 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -6.451 -1.412 5.112 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -4.241 -2.354 5.864 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -4.744 -2.169 7.532 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -6.730 -3.575 5.812 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -5.206 -4.425 5.981 1.00 0.00 H new ATOM 0 HE ARG A 41 -7.069 -3.684 8.192 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -4.313 -5.608 7.060 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -4.194 -6.503 8.578 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -6.833 -4.808 10.140 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -5.593 -6.058 10.287 1.00 0.00 H new ATOM 619 N GLU A 42 -5.303 0.459 8.577 1.00 0.00 N ATOM 620 CA GLU A 42 -4.705 0.819 9.866 1.00 0.00 C ATOM 621 C GLU A 42 -4.751 -0.340 10.875 1.00 0.00 C ATOM 622 O GLU A 42 -5.441 -1.342 10.675 1.00 0.00 O ATOM 623 CB GLU A 42 -5.310 2.165 10.335 1.00 0.00 C ATOM 624 CG GLU A 42 -4.538 2.838 11.484 1.00 0.00 C ATOM 625 CD GLU A 42 -5.070 2.574 12.893 1.00 0.00 C ATOM 626 OE1 GLU A 42 -6.220 2.957 13.200 1.00 0.00 O ATOM 627 OE2 GLU A 42 -4.277 2.052 13.710 1.00 0.00 O ATOM 0 H GLU A 42 -6.303 0.265 8.638 1.00 0.00 H new ATOM 0 HA GLU A 42 -3.633 0.987 9.763 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -5.346 2.849 9.487 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -6.339 1.997 10.653 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -3.500 2.507 11.441 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -4.537 3.915 11.313 1.00 0.00 H new ATOM 634 N SER A 43 -3.954 -0.226 11.938 1.00 0.00 N ATOM 635 CA SER A 43 -3.830 -1.168 13.040 1.00 0.00 C ATOM 636 C SER A 43 -5.065 -1.209 13.950 1.00 0.00 C ATOM 637 O SER A 43 -6.083 -0.575 13.675 1.00 0.00 O ATOM 638 CB SER A 43 -2.540 -0.876 13.821 1.00 0.00 C ATOM 639 OG SER A 43 -2.637 0.296 14.604 1.00 0.00 O ATOM 0 H SER A 43 -3.340 0.580 12.055 1.00 0.00 H new ATOM 0 HA SER A 43 -3.768 -2.170 12.615 1.00 0.00 H new ATOM 0 HB2 SER A 43 -2.310 -1.723 14.467 1.00 0.00 H new ATOM 0 HB3 SER A 43 -1.710 -0.774 13.121 1.00 0.00 H new ATOM 0 HG SER A 43 -3.315 0.891 14.220 1.00 0.00 H new ATOM 645 N GLN A 44 -4.964 -1.973 15.047 1.00 0.00 N ATOM 646 CA GLN A 44 -5.970 -2.011 16.101 1.00 0.00 C ATOM 647 C GLN A 44 -5.618 -1.082 17.279 1.00 0.00 C ATOM 648 O GLN A 44 -6.253 -1.185 18.331 1.00 0.00 O ATOM 649 CB GLN A 44 -6.246 -3.462 16.547 1.00 0.00 C ATOM 650 CG GLN A 44 -5.105 -4.121 17.338 1.00 0.00 C ATOM 651 CD GLN A 44 -5.401 -5.574 17.729 1.00 0.00 C ATOM 652 OE1 GLN A 44 -5.369 -5.945 18.902 1.00 0.00 O ATOM 653 NE2 GLN A 44 -5.695 -6.444 16.773 1.00 0.00 N ATOM 0 H GLN A 44 -4.169 -2.587 15.223 1.00 0.00 H new ATOM 0 HA GLN A 44 -6.899 -1.620 15.686 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -7.148 -3.474 17.159 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -6.453 -4.066 15.663 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -4.193 -4.091 16.741 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -4.915 -3.540 18.241 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -5.723 -6.142 15.799 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -5.893 -7.416 17.011 1.00 0.00 H new ATOM 662 N GLY A 45 -4.568 -0.252 17.179 1.00 0.00 N ATOM 663 CA GLY A 45 -4.185 0.647 18.268 1.00 0.00 C ATOM 664 C GLY A 45 -2.718 1.072 18.311 1.00 0.00 C ATOM 665 O GLY A 45 -2.301 1.654 19.315 1.00 0.00 O ATOM 0 H GLY A 45 -3.972 -0.188 16.354 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -4.799 1.545 18.202 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -4.429 0.162 19.213 1.00 0.00 H new ATOM 669 N LYS A 46 -1.885 0.714 17.331 1.00 0.00 N ATOM 670 CA LYS A 46 -0.442 0.993 17.311 1.00 0.00 C ATOM 671 C LYS A 46 -0.106 2.291 16.584 1.00 0.00 C ATOM 672 O LYS A 46 1.080 2.610 16.431 1.00 0.00 O ATOM 673 CB LYS A 46 0.292 -0.174 16.635 1.00 0.00 C ATOM 674 CG LYS A 46 0.157 -1.495 17.390 1.00 0.00 C ATOM 675 CD LYS A 46 1.019 -1.547 18.658 1.00 0.00 C ATOM 676 CE LYS A 46 0.622 -2.748 19.520 1.00 0.00 C ATOM 677 NZ LYS A 46 0.896 -4.031 18.844 1.00 0.00 N ATOM 0 H LYS A 46 -2.202 0.207 16.505 1.00 0.00 H new ATOM 0 HA LYS A 46 -0.117 1.106 18.345 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -0.096 -0.301 15.624 1.00 0.00 H new ATOM 0 HB3 LYS A 46 1.349 0.076 16.542 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -0.888 -1.648 17.660 1.00 0.00 H new ATOM 0 HG3 LYS A 46 0.440 -2.316 16.730 1.00 0.00 H new ATOM 0 HD2 LYS A 46 2.073 -1.617 18.387 1.00 0.00 H new ATOM 0 HD3 LYS A 46 0.897 -0.626 19.227 1.00 0.00 H new ATOM 0 HE2 LYS A 46 1.167 -2.712 20.464 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -0.439 -2.685 19.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 0.660 -4.817 19.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 0.318 -4.099 17.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 1.903 -4.082 18.591 1.00 0.00 H new ATOM 691 N GLN A 47 -1.130 3.010 16.131 1.00 0.00 N ATOM 692 CA GLN A 47 -1.055 4.154 15.237 1.00 0.00 C ATOM 693 C GLN A 47 -0.144 3.800 14.054 1.00 0.00 C ATOM 694 O GLN A 47 0.782 4.542 13.729 1.00 0.00 O ATOM 695 CB GLN A 47 -0.646 5.407 16.038 1.00 0.00 C ATOM 696 CG GLN A 47 -1.683 5.792 17.113 1.00 0.00 C ATOM 697 CD GLN A 47 -1.077 6.695 18.185 1.00 0.00 C ATOM 698 OE1 GLN A 47 -0.472 7.720 17.897 1.00 0.00 O ATOM 699 NE2 GLN A 47 -1.128 6.308 19.449 1.00 0.00 N ATOM 0 H GLN A 47 -2.091 2.793 16.397 1.00 0.00 H new ATOM 0 HA GLN A 47 -2.023 4.400 14.801 1.00 0.00 H new ATOM 0 HB2 GLN A 47 0.317 5.229 16.516 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -0.512 6.244 15.352 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -2.524 6.301 16.642 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -2.077 4.889 17.578 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -1.629 5.456 19.702 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -0.667 6.862 20.171 1.00 0.00 H new ATOM 708 N GLU A 48 -0.364 2.618 13.463 1.00 0.00 N ATOM 709 CA GLU A 48 0.480 2.021 12.451 1.00 0.00 C ATOM 710 C GLU A 48 -0.402 1.563 11.298 1.00 0.00 C ATOM 711 O GLU A 48 -1.488 1.025 11.517 1.00 0.00 O ATOM 712 CB GLU A 48 1.210 0.834 13.084 1.00 0.00 C ATOM 713 CG GLU A 48 2.022 0.042 12.058 1.00 0.00 C ATOM 714 CD GLU A 48 3.140 -0.764 12.711 1.00 0.00 C ATOM 715 OE1 GLU A 48 2.836 -1.718 13.467 1.00 0.00 O ATOM 716 OE2 GLU A 48 4.321 -0.445 12.442 1.00 0.00 O ATOM 0 H GLU A 48 -1.170 2.038 13.695 1.00 0.00 H new ATOM 0 HA GLU A 48 1.214 2.731 12.070 1.00 0.00 H new ATOM 0 HB2 GLU A 48 1.874 1.195 13.870 1.00 0.00 H new ATOM 0 HB3 GLU A 48 0.484 0.174 13.558 1.00 0.00 H new ATOM 0 HG2 GLU A 48 1.360 -0.632 11.514 1.00 0.00 H new ATOM 0 HG3 GLU A 48 2.450 0.728 11.327 1.00 0.00 H new ATOM 723 N TYR A 49 0.063 1.745 10.069 1.00 0.00 N ATOM 724 CA TYR A 49 -0.628 1.270 8.892 1.00 0.00 C ATOM 725 C TYR A 49 -0.134 -0.109 8.491 1.00 0.00 C ATOM 726 O TYR A 49 0.949 -0.570 8.862 1.00 0.00 O ATOM 727 CB TYR A 49 -0.453 2.262 7.740 1.00 0.00 C ATOM 728 CG TYR A 49 -1.171 3.576 7.914 1.00 0.00 C ATOM 729 CD1 TYR A 49 -2.548 3.599 8.206 1.00 0.00 C ATOM 730 CD2 TYR A 49 -0.461 4.777 7.756 1.00 0.00 C ATOM 731 CE1 TYR A 49 -3.214 4.830 8.362 1.00 0.00 C ATOM 732 CE2 TYR A 49 -1.121 6.004 7.904 1.00 0.00 C ATOM 733 CZ TYR A 49 -2.499 6.041 8.202 1.00 0.00 C ATOM 734 OH TYR A 49 -3.114 7.245 8.332 1.00 0.00 O ATOM 0 H TYR A 49 0.937 2.231 9.866 1.00 0.00 H new ATOM 0 HA TYR A 49 -1.690 1.190 9.126 1.00 0.00 H new ATOM 0 HB2 TYR A 49 0.611 2.461 7.611 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -0.803 1.793 6.821 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -3.094 2.673 8.310 1.00 0.00 H new ATOM 0 HD2 TYR A 49 0.593 4.755 7.521 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -4.267 4.850 8.603 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -0.571 6.927 7.789 1.00 0.00 H new ATOM 0 HH TYR A 49 -2.462 7.963 8.188 1.00 0.00 H new ATOM 744 N VAL A 50 -0.943 -0.762 7.673 1.00 0.00 N ATOM 745 CA VAL A 50 -0.746 -2.087 7.163 1.00 0.00 C ATOM 746 C VAL A 50 -1.045 -2.002 5.675 1.00 0.00 C ATOM 747 O VAL A 50 -1.975 -1.329 5.232 1.00 0.00 O ATOM 748 CB VAL A 50 -1.691 -3.068 7.874 1.00 0.00 C ATOM 749 CG1 VAL A 50 -1.234 -4.516 7.644 1.00 0.00 C ATOM 750 CG2 VAL A 50 -1.836 -2.794 9.373 1.00 0.00 C ATOM 0 H VAL A 50 -1.808 -0.343 7.332 1.00 0.00 H new ATOM 0 HA VAL A 50 0.267 -2.452 7.334 1.00 0.00 H new ATOM 0 HB VAL A 50 -2.676 -2.917 7.432 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -1.914 -5.198 8.154 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -1.237 -4.733 6.576 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -0.226 -4.646 8.038 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -2.517 -3.523 9.812 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -0.861 -2.873 9.853 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -2.234 -1.790 9.523 1.00 0.00 H new ATOM 760 N LEU A 51 -0.229 -2.703 4.913 1.00 0.00 N ATOM 761 CA LEU A 51 -0.381 -2.897 3.483 1.00 0.00 C ATOM 762 C LEU A 51 -1.178 -4.173 3.283 1.00 0.00 C ATOM 763 O LEU A 51 -0.892 -5.200 3.921 1.00 0.00 O ATOM 764 CB LEU A 51 1.016 -3.023 2.861 1.00 0.00 C ATOM 765 CG LEU A 51 1.077 -2.905 1.332 1.00 0.00 C ATOM 766 CD1 LEU A 51 0.579 -1.551 0.819 1.00 0.00 C ATOM 767 CD2 LEU A 51 2.547 -3.068 0.934 1.00 0.00 C ATOM 0 H LEU A 51 0.594 -3.174 5.289 1.00 0.00 H new ATOM 0 HA LEU A 51 -0.899 -2.063 3.009 1.00 0.00 H new ATOM 0 HB2 LEU A 51 1.656 -2.253 3.292 1.00 0.00 H new ATOM 0 HB3 LEU A 51 1.437 -3.986 3.150 1.00 0.00 H new ATOM 0 HG LEU A 51 0.431 -3.667 0.896 1.00 0.00 H new ATOM 0 HD11 LEU A 51 0.646 -1.527 -0.269 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -0.458 -1.406 1.122 1.00 0.00 H new ATOM 0 HD13 LEU A 51 1.194 -0.755 1.238 1.00 0.00 H new ATOM 0 HD21 LEU A 51 2.641 -2.991 -0.149 1.00 0.00 H new ATOM 0 HD22 LEU A 51 3.141 -2.285 1.406 1.00 0.00 H new ATOM 0 HD23 LEU A 51 2.907 -4.044 1.261 1.00 0.00 H new ATOM 779 N SER A 52 -2.140 -4.162 2.374 1.00 0.00 N ATOM 780 CA SER A 52 -2.963 -5.318 2.058 1.00 0.00 C ATOM 781 C SER A 52 -2.998 -5.428 0.547 1.00 0.00 C ATOM 782 O SER A 52 -3.552 -4.549 -0.098 1.00 0.00 O ATOM 783 CB SER A 52 -4.373 -5.169 2.636 1.00 0.00 C ATOM 784 OG SER A 52 -4.417 -4.335 3.771 1.00 0.00 O ATOM 0 H SER A 52 -2.375 -3.335 1.826 1.00 0.00 H new ATOM 0 HA SER A 52 -2.546 -6.222 2.502 1.00 0.00 H new ATOM 0 HB2 SER A 52 -5.033 -4.765 1.869 1.00 0.00 H new ATOM 0 HB3 SER A 52 -4.757 -6.154 2.901 1.00 0.00 H new ATOM 0 HG SER A 52 -4.874 -3.498 3.545 1.00 0.00 H new ATOM 790 N VAL A 53 -2.402 -6.476 -0.014 1.00 0.00 N ATOM 791 CA VAL A 53 -2.466 -6.737 -1.454 1.00 0.00 C ATOM 792 C VAL A 53 -2.929 -8.163 -1.694 1.00 0.00 C ATOM 793 O VAL A 53 -2.775 -8.991 -0.793 1.00 0.00 O ATOM 794 CB VAL A 53 -1.114 -6.389 -2.093 1.00 0.00 C ATOM 795 CG1 VAL A 53 0.043 -7.256 -1.581 1.00 0.00 C ATOM 796 CG2 VAL A 53 -1.118 -6.420 -3.627 1.00 0.00 C ATOM 0 H VAL A 53 -1.864 -7.166 0.510 1.00 0.00 H new ATOM 0 HA VAL A 53 -3.204 -6.100 -1.941 1.00 0.00 H new ATOM 0 HB VAL A 53 -0.951 -5.359 -1.776 1.00 0.00 H new ATOM 0 HG11 VAL A 53 0.968 -6.957 -2.074 1.00 0.00 H new ATOM 0 HG12 VAL A 53 0.147 -7.125 -0.504 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -0.162 -8.304 -1.801 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -0.126 -6.163 -3.999 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -1.386 -7.419 -3.970 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -1.845 -5.700 -4.004 1.00 0.00 H new ATOM 806 N LEU A 54 -3.463 -8.478 -2.876 1.00 0.00 N ATOM 807 CA LEU A 54 -3.881 -9.815 -3.281 1.00 0.00 C ATOM 808 C LEU A 54 -2.810 -10.345 -4.222 1.00 0.00 C ATOM 809 O LEU A 54 -2.543 -9.727 -5.251 1.00 0.00 O ATOM 810 CB LEU A 54 -5.231 -9.728 -4.004 1.00 0.00 C ATOM 811 CG LEU A 54 -5.950 -11.080 -4.144 1.00 0.00 C ATOM 812 CD1 LEU A 54 -6.710 -11.451 -2.880 1.00 0.00 C ATOM 813 CD2 LEU A 54 -6.872 -11.090 -5.354 1.00 0.00 C ATOM 0 H LEU A 54 -3.621 -7.780 -3.603 1.00 0.00 H new ATOM 0 HA LEU A 54 -3.998 -10.476 -2.422 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -5.878 -9.038 -3.463 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -5.074 -9.306 -4.997 1.00 0.00 H new ATOM 0 HG LEU A 54 -5.181 -11.837 -4.297 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -7.203 -12.413 -3.021 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -6.014 -11.520 -2.044 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -7.458 -10.687 -2.668 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -7.366 -12.059 -5.427 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -7.622 -10.307 -5.246 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -6.289 -10.912 -6.257 1.00 0.00 H new ATOM 825 N TRP A 55 -2.196 -11.472 -3.884 1.00 0.00 N ATOM 826 CA TRP A 55 -1.133 -12.070 -4.678 1.00 0.00 C ATOM 827 C TRP A 55 -1.520 -13.522 -4.835 1.00 0.00 C ATOM 828 O TRP A 55 -1.681 -14.203 -3.827 1.00 0.00 O ATOM 829 CB TRP A 55 0.229 -11.847 -3.999 1.00 0.00 C ATOM 830 CG TRP A 55 1.442 -11.970 -4.865 1.00 0.00 C ATOM 831 CD1 TRP A 55 2.553 -12.698 -4.610 1.00 0.00 C ATOM 832 CD2 TRP A 55 1.735 -11.202 -6.064 1.00 0.00 C ATOM 833 NE1 TRP A 55 3.500 -12.454 -5.592 1.00 0.00 N ATOM 834 CE2 TRP A 55 3.071 -11.482 -6.471 1.00 0.00 C ATOM 835 CE3 TRP A 55 1.019 -10.233 -6.798 1.00 0.00 C ATOM 836 CZ2 TRP A 55 3.684 -10.787 -7.526 1.00 0.00 C ATOM 837 CZ3 TRP A 55 1.611 -9.561 -7.877 1.00 0.00 C ATOM 838 CH2 TRP A 55 2.935 -9.847 -8.249 1.00 0.00 C ATOM 0 H TRP A 55 -2.425 -12.001 -3.042 1.00 0.00 H new ATOM 0 HA TRP A 55 -1.020 -11.618 -5.663 1.00 0.00 H new ATOM 0 HB2 TRP A 55 0.228 -10.852 -3.555 1.00 0.00 H new ATOM 0 HB3 TRP A 55 0.322 -12.561 -3.181 1.00 0.00 H new ATOM 0 HD1 TRP A 55 2.682 -13.366 -3.771 1.00 0.00 H new ATOM 0 HE1 TRP A 55 4.399 -12.932 -5.656 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -0.001 -10.005 -6.525 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 4.718 -10.974 -7.777 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 1.047 -8.820 -8.424 1.00 0.00 H new ATOM 0 HH2 TRP A 55 3.378 -9.341 -9.094 1.00 0.00 H new ATOM 849 N ASP A 56 -1.801 -13.940 -6.067 1.00 0.00 N ATOM 850 CA ASP A 56 -2.276 -15.262 -6.457 1.00 0.00 C ATOM 851 C ASP A 56 -3.285 -15.866 -5.470 1.00 0.00 C ATOM 852 O ASP A 56 -3.021 -16.883 -4.819 1.00 0.00 O ATOM 853 CB ASP A 56 -1.071 -16.176 -6.691 1.00 0.00 C ATOM 854 CG ASP A 56 -1.503 -17.547 -7.203 1.00 0.00 C ATOM 855 OD1 ASP A 56 -2.553 -17.647 -7.874 1.00 0.00 O ATOM 856 OD2 ASP A 56 -0.775 -18.532 -6.938 1.00 0.00 O ATOM 0 H ASP A 56 -1.695 -13.322 -6.871 1.00 0.00 H new ATOM 0 HA ASP A 56 -2.836 -15.159 -7.387 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -0.396 -15.713 -7.411 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -0.514 -16.292 -5.761 1.00 0.00 H new ATOM 861 N GLY A 57 -4.455 -15.232 -5.344 1.00 0.00 N ATOM 862 CA GLY A 57 -5.541 -15.743 -4.512 1.00 0.00 C ATOM 863 C GLY A 57 -5.206 -15.710 -3.019 1.00 0.00 C ATOM 864 O GLY A 57 -5.724 -16.515 -2.244 1.00 0.00 O ATOM 0 H GLY A 57 -4.672 -14.354 -5.815 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -6.440 -15.153 -4.692 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -5.768 -16.768 -4.807 1.00 0.00 H new ATOM 868 N LEU A 58 -4.320 -14.808 -2.593 1.00 0.00 N ATOM 869 CA LEU A 58 -3.935 -14.634 -1.196 1.00 0.00 C ATOM 870 C LEU A 58 -3.826 -13.145 -0.883 1.00 0.00 C ATOM 871 O LEU A 58 -2.808 -12.519 -1.199 1.00 0.00 O ATOM 872 CB LEU A 58 -2.671 -15.441 -0.864 1.00 0.00 C ATOM 873 CG LEU A 58 -1.884 -15.052 0.398 1.00 0.00 C ATOM 874 CD1 LEU A 58 -2.721 -14.916 1.672 1.00 0.00 C ATOM 875 CD2 LEU A 58 -0.798 -16.100 0.642 1.00 0.00 C ATOM 0 H LEU A 58 -3.841 -14.166 -3.225 1.00 0.00 H new ATOM 0 HA LEU A 58 -4.706 -15.039 -0.541 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -2.957 -16.489 -0.771 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -1.995 -15.370 -1.716 1.00 0.00 H new ATOM 0 HG LEU A 58 -1.477 -14.061 0.198 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -2.074 -14.639 2.505 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -3.478 -14.145 1.529 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -3.207 -15.867 1.891 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -0.232 -15.836 1.535 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -1.260 -17.077 0.781 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -0.127 -16.135 -0.216 1.00 0.00 H new ATOM 887 N PRO A 59 -4.834 -12.569 -0.208 1.00 0.00 N ATOM 888 CA PRO A 59 -4.741 -11.248 0.386 1.00 0.00 C ATOM 889 C PRO A 59 -3.740 -11.293 1.544 1.00 0.00 C ATOM 890 O PRO A 59 -4.071 -11.705 2.667 1.00 0.00 O ATOM 891 CB PRO A 59 -6.155 -10.868 0.815 1.00 0.00 C ATOM 892 CG PRO A 59 -6.782 -12.224 1.097 1.00 0.00 C ATOM 893 CD PRO A 59 -6.081 -13.208 0.185 1.00 0.00 C ATOM 0 HA PRO A 59 -4.371 -10.490 -0.304 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -6.154 -10.229 1.698 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -6.687 -10.329 0.031 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -6.654 -12.503 2.143 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -7.854 -12.206 0.901 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -5.892 -14.150 0.699 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -6.694 -13.438 -0.687 1.00 0.00 H new ATOM 901 N ARG A 60 -2.493 -10.901 1.279 1.00 0.00 N ATOM 902 CA ARG A 60 -1.431 -10.838 2.261 1.00 0.00 C ATOM 903 C ARG A 60 -1.760 -9.837 3.387 1.00 0.00 C ATOM 904 O ARG A 60 -2.809 -9.183 3.421 1.00 0.00 O ATOM 905 CB ARG A 60 -0.112 -10.504 1.571 1.00 0.00 C ATOM 906 CG ARG A 60 0.345 -11.712 0.775 1.00 0.00 C ATOM 907 CD ARG A 60 0.969 -12.816 1.605 1.00 0.00 C ATOM 908 NE ARG A 60 0.563 -13.063 3.001 1.00 0.00 N ATOM 909 CZ ARG A 60 0.784 -14.227 3.614 1.00 0.00 C ATOM 910 NH1 ARG A 60 1.724 -15.049 3.173 1.00 0.00 N ATOM 911 NH2 ARG A 60 0.042 -14.553 4.662 1.00 0.00 N ATOM 0 H ARG A 60 -2.195 -10.612 0.347 1.00 0.00 H new ATOM 0 HA ARG A 60 -1.334 -11.815 2.735 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -0.238 -9.644 0.913 1.00 0.00 H new ATOM 0 HB3 ARG A 60 0.642 -10.232 2.310 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -0.510 -12.120 0.236 1.00 0.00 H new ATOM 0 HG3 ARG A 60 1.067 -11.385 0.027 1.00 0.00 H new ATOM 0 HD2 ARG A 60 0.811 -13.747 1.061 1.00 0.00 H new ATOM 0 HD3 ARG A 60 2.043 -12.633 1.617 1.00 0.00 H new ATOM 0 HE ARG A 60 0.096 -12.317 3.517 1.00 0.00 H new ATOM 0 HH11 ARG A 60 2.284 -14.794 2.360 1.00 0.00 H new ATOM 0 HH12 ARG A 60 1.888 -15.937 3.647 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -0.686 -13.918 4.989 1.00 0.00 H new ATOM 0 HH22 ARG A 60 0.198 -15.439 5.142 1.00 0.00 H new ATOM 925 N HIS A 61 -0.832 -9.681 4.325 1.00 0.00 N ATOM 926 CA HIS A 61 -0.704 -8.487 5.137 1.00 0.00 C ATOM 927 C HIS A 61 0.786 -8.295 5.382 1.00 0.00 C ATOM 928 O HIS A 61 1.443 -9.225 5.855 1.00 0.00 O ATOM 929 CB HIS A 61 -1.480 -8.614 6.462 1.00 0.00 C ATOM 930 CG HIS A 61 -1.154 -9.832 7.295 1.00 0.00 C ATOM 931 ND1 HIS A 61 -0.369 -9.864 8.424 1.00 0.00 N ATOM 932 CD2 HIS A 61 -1.636 -11.095 7.093 1.00 0.00 C ATOM 933 CE1 HIS A 61 -0.375 -11.125 8.886 1.00 0.00 C ATOM 934 NE2 HIS A 61 -1.135 -11.918 8.108 1.00 0.00 N ATOM 0 H HIS A 61 -0.138 -10.396 4.542 1.00 0.00 H new ATOM 0 HA HIS A 61 -1.132 -7.624 4.627 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -1.288 -7.724 7.061 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -2.547 -8.624 6.238 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -2.289 -11.404 6.290 1.00 0.00 H new ATOM 0 HE1 HIS A 61 0.158 -11.458 9.764 1.00 0.00 H new ATOM 0 HE2 HIS A 61 -1.310 -12.915 8.233 1.00 0.00 H new ATOM 942 N PHE A 62 1.306 -7.100 5.120 1.00 0.00 N ATOM 943 CA PHE A 62 2.604 -6.682 5.644 1.00 0.00 C ATOM 944 C PHE A 62 2.432 -5.298 6.268 1.00 0.00 C ATOM 945 O PHE A 62 1.826 -4.427 5.648 1.00 0.00 O ATOM 946 CB PHE A 62 3.655 -6.670 4.526 1.00 0.00 C ATOM 947 CG PHE A 62 3.678 -7.889 3.617 1.00 0.00 C ATOM 948 CD1 PHE A 62 4.460 -9.026 3.906 1.00 0.00 C ATOM 949 CD2 PHE A 62 2.916 -7.861 2.436 1.00 0.00 C ATOM 950 CE1 PHE A 62 4.493 -10.106 3.006 1.00 0.00 C ATOM 951 CE2 PHE A 62 2.913 -8.956 1.567 1.00 0.00 C ATOM 952 CZ PHE A 62 3.705 -10.084 1.843 1.00 0.00 C ATOM 0 H PHE A 62 0.844 -6.397 4.543 1.00 0.00 H new ATOM 0 HA PHE A 62 2.957 -7.382 6.401 1.00 0.00 H new ATOM 0 HB2 PHE A 62 3.491 -5.786 3.910 1.00 0.00 H new ATOM 0 HB3 PHE A 62 4.639 -6.563 4.982 1.00 0.00 H new ATOM 0 HD1 PHE A 62 5.034 -9.068 4.820 1.00 0.00 H new ATOM 0 HD2 PHE A 62 2.328 -6.987 2.198 1.00 0.00 H new ATOM 0 HE1 PHE A 62 5.127 -10.956 3.210 1.00 0.00 H new ATOM 0 HE2 PHE A 62 2.299 -8.935 0.679 1.00 0.00 H new ATOM 0 HZ PHE A 62 3.708 -10.926 1.167 1.00 0.00 H new ATOM 962 N ILE A 63 2.922 -5.087 7.487 1.00 0.00 N ATOM 963 CA ILE A 63 2.914 -3.784 8.159 1.00 0.00 C ATOM 964 C ILE A 63 3.667 -2.778 7.289 1.00 0.00 C ATOM 965 O ILE A 63 4.657 -3.147 6.649 1.00 0.00 O ATOM 966 CB ILE A 63 3.528 -3.957 9.566 1.00 0.00 C ATOM 967 CG1 ILE A 63 2.576 -4.722 10.506 1.00 0.00 C ATOM 968 CG2 ILE A 63 3.999 -2.655 10.209 1.00 0.00 C ATOM 969 CD1 ILE A 63 1.263 -4.007 10.852 1.00 0.00 C ATOM 0 H ILE A 63 3.344 -5.827 8.048 1.00 0.00 H new ATOM 0 HA ILE A 63 1.903 -3.397 8.291 1.00 0.00 H new ATOM 0 HB ILE A 63 4.427 -4.553 9.413 1.00 0.00 H new ATOM 0 HG12 ILE A 63 2.336 -5.681 10.047 1.00 0.00 H new ATOM 0 HG13 ILE A 63 3.106 -4.937 11.434 1.00 0.00 H new ATOM 0 HG21 ILE A 63 4.416 -2.866 11.194 1.00 0.00 H new ATOM 0 HG22 ILE A 63 4.763 -2.195 9.582 1.00 0.00 H new ATOM 0 HG23 ILE A 63 3.155 -1.973 10.311 1.00 0.00 H new ATOM 0 HD11 ILE A 63 0.671 -4.635 11.518 1.00 0.00 H new ATOM 0 HD12 ILE A 63 1.483 -3.061 11.346 1.00 0.00 H new ATOM 0 HD13 ILE A 63 0.700 -3.817 9.938 1.00 0.00 H new ATOM 981 N ILE A 64 3.183 -1.533 7.211 1.00 0.00 N ATOM 982 CA ILE A 64 3.900 -0.498 6.469 1.00 0.00 C ATOM 983 C ILE A 64 5.276 -0.325 7.099 1.00 0.00 C ATOM 984 O ILE A 64 5.450 -0.435 8.315 1.00 0.00 O ATOM 985 CB ILE A 64 3.102 0.824 6.387 1.00 0.00 C ATOM 986 CG1 ILE A 64 1.783 0.605 5.608 1.00 0.00 C ATOM 987 CG2 ILE A 64 3.892 1.971 5.733 1.00 0.00 C ATOM 988 CD1 ILE A 64 1.937 0.391 4.104 1.00 0.00 C ATOM 0 H ILE A 64 2.313 -1.224 7.645 1.00 0.00 H new ATOM 0 HA ILE A 64 4.023 -0.809 5.432 1.00 0.00 H new ATOM 0 HB ILE A 64 2.894 1.119 7.416 1.00 0.00 H new ATOM 0 HG12 ILE A 64 1.271 -0.260 6.030 1.00 0.00 H new ATOM 0 HG13 ILE A 64 1.138 1.468 5.771 1.00 0.00 H new ATOM 0 HG21 ILE A 64 3.275 2.869 5.707 1.00 0.00 H new ATOM 0 HG22 ILE A 64 4.794 2.168 6.312 1.00 0.00 H new ATOM 0 HG23 ILE A 64 4.167 1.690 4.716 1.00 0.00 H new ATOM 0 HD11 ILE A 64 0.954 0.247 3.654 1.00 0.00 H new ATOM 0 HD12 ILE A 64 2.416 1.264 3.659 1.00 0.00 H new ATOM 0 HD13 ILE A 64 2.551 -0.491 3.923 1.00 0.00 H new ATOM 1000 N GLN A 65 6.251 -0.066 6.239 1.00 0.00 N ATOM 1001 CA GLN A 65 7.650 0.155 6.560 1.00 0.00 C ATOM 1002 C GLN A 65 7.794 1.251 7.596 1.00 0.00 C ATOM 1003 O GLN A 65 6.911 2.101 7.715 1.00 0.00 O ATOM 1004 CB GLN A 65 8.420 0.565 5.293 1.00 0.00 C ATOM 1005 CG GLN A 65 8.013 -0.136 3.992 1.00 0.00 C ATOM 1006 CD GLN A 65 6.788 0.444 3.291 1.00 0.00 C ATOM 1007 OE1 GLN A 65 5.678 -0.056 3.441 1.00 0.00 O ATOM 1008 NE2 GLN A 65 6.947 1.497 2.505 1.00 0.00 N ATOM 0 H GLN A 65 6.073 -0.001 5.237 1.00 0.00 H new ATOM 0 HA GLN A 65 8.058 -0.773 6.960 1.00 0.00 H new ATOM 0 HB2 GLN A 65 8.301 1.640 5.154 1.00 0.00 H new ATOM 0 HB3 GLN A 65 9.481 0.381 5.463 1.00 0.00 H new ATOM 0 HG2 GLN A 65 8.856 -0.101 3.302 1.00 0.00 H new ATOM 0 HG3 GLN A 65 7.822 -1.187 4.210 1.00 0.00 H new ATOM 0 HE21 GLN A 65 7.873 1.908 2.384 1.00 0.00 H new ATOM 0 HE22 GLN A 65 6.144 1.897 2.020 1.00 0.00 H new ATOM 1017 N SER A 66 8.911 1.255 8.311 1.00 0.00 N ATOM 1018 CA SER A 66 9.188 2.198 9.360 1.00 0.00 C ATOM 1019 C SER A 66 10.630 2.027 9.825 1.00 0.00 C ATOM 1020 O SER A 66 11.049 0.917 10.178 1.00 0.00 O ATOM 1021 CB SER A 66 8.176 1.972 10.479 1.00 0.00 C ATOM 1022 OG SER A 66 8.191 0.671 11.056 1.00 0.00 O ATOM 0 H SER A 66 9.662 0.581 8.165 1.00 0.00 H new ATOM 0 HA SER A 66 9.087 3.227 9.013 1.00 0.00 H new ATOM 0 HB2 SER A 66 8.359 2.703 11.266 1.00 0.00 H new ATOM 0 HB3 SER A 66 7.177 2.167 10.089 1.00 0.00 H new ATOM 0 HG SER A 66 9.073 0.265 10.925 1.00 0.00 H new ATOM 1028 N LEU A 67 11.391 3.118 9.807 1.00 0.00 N ATOM 1029 CA LEU A 67 12.716 3.207 10.407 1.00 0.00 C ATOM 1030 C LEU A 67 12.747 4.378 11.380 1.00 0.00 C ATOM 1031 O LEU A 67 12.738 4.159 12.593 1.00 0.00 O ATOM 1032 CB LEU A 67 13.867 3.255 9.378 1.00 0.00 C ATOM 1033 CG LEU A 67 13.684 4.138 8.121 1.00 0.00 C ATOM 1034 CD1 LEU A 67 15.047 4.642 7.634 1.00 0.00 C ATOM 1035 CD2 LEU A 67 13.020 3.344 6.995 1.00 0.00 C ATOM 0 H LEU A 67 11.094 3.987 9.363 1.00 0.00 H new ATOM 0 HA LEU A 67 12.896 2.283 10.956 1.00 0.00 H new ATOM 0 HB2 LEU A 67 14.764 3.595 9.896 1.00 0.00 H new ATOM 0 HB3 LEU A 67 14.059 2.235 9.044 1.00 0.00 H new ATOM 0 HG LEU A 67 13.048 4.982 8.389 1.00 0.00 H new ATOM 0 HD11 LEU A 67 14.910 5.263 6.749 1.00 0.00 H new ATOM 0 HD12 LEU A 67 15.520 5.230 8.420 1.00 0.00 H new ATOM 0 HD13 LEU A 67 15.682 3.791 7.386 1.00 0.00 H new ATOM 0 HD21 LEU A 67 12.901 3.983 6.120 1.00 0.00 H new ATOM 0 HD22 LEU A 67 13.644 2.488 6.736 1.00 0.00 H new ATOM 0 HD23 LEU A 67 12.042 2.994 7.325 1.00 0.00 H new ATOM 1047 N ASP A 68 12.829 5.602 10.868 1.00 0.00 N ATOM 1048 CA ASP A 68 13.062 6.791 11.673 1.00 0.00 C ATOM 1049 C ASP A 68 11.994 7.825 11.387 1.00 0.00 C ATOM 1050 O ASP A 68 11.233 8.196 12.278 1.00 0.00 O ATOM 1051 CB ASP A 68 14.452 7.349 11.377 1.00 0.00 C ATOM 1052 CG ASP A 68 15.512 6.561 12.143 1.00 0.00 C ATOM 1053 OD1 ASP A 68 15.689 6.825 13.351 1.00 0.00 O ATOM 1054 OD2 ASP A 68 16.143 5.655 11.547 1.00 0.00 O ATOM 0 H ASP A 68 12.734 5.796 9.871 1.00 0.00 H new ATOM 0 HA ASP A 68 13.012 6.530 12.730 1.00 0.00 H new ATOM 0 HB2 ASP A 68 14.652 7.296 10.307 1.00 0.00 H new ATOM 0 HB3 ASP A 68 14.497 8.401 11.658 1.00 0.00 H new ATOM 1059 N ASN A 69 11.948 8.293 10.143 1.00 0.00 N ATOM 1060 CA ASN A 69 10.897 9.153 9.616 1.00 0.00 C ATOM 1061 C ASN A 69 10.765 8.911 8.109 1.00 0.00 C ATOM 1062 O ASN A 69 10.589 9.832 7.310 1.00 0.00 O ATOM 1063 CB ASN A 69 11.221 10.611 9.951 1.00 0.00 C ATOM 1064 CG ASN A 69 10.058 11.521 9.575 1.00 0.00 C ATOM 1065 OD1 ASN A 69 8.904 11.241 9.881 1.00 0.00 O ATOM 1066 ND2 ASN A 69 10.329 12.628 8.915 1.00 0.00 N ATOM 0 H ASN A 69 12.666 8.076 9.452 1.00 0.00 H new ATOM 0 HA ASN A 69 9.935 8.921 10.074 1.00 0.00 H new ATOM 0 HB2 ASN A 69 11.434 10.706 11.016 1.00 0.00 H new ATOM 0 HB3 ASN A 69 12.119 10.921 9.417 1.00 0.00 H new ATOM 0 HD21 ASN A 69 9.575 13.263 8.653 1.00 0.00 H new ATOM 0 HD22 ASN A 69 11.293 12.850 8.666 1.00 0.00 H new ATOM 1073 N LEU A 70 11.015 7.672 7.683 1.00 0.00 N ATOM 1074 CA LEU A 70 10.913 7.228 6.296 1.00 0.00 C ATOM 1075 C LEU A 70 10.292 5.843 6.275 1.00 0.00 C ATOM 1076 O LEU A 70 10.117 5.195 7.308 1.00 0.00 O ATOM 1077 CB LEU A 70 12.270 7.156 5.560 1.00 0.00 C ATOM 1078 CG LEU A 70 13.213 8.357 5.752 1.00 0.00 C ATOM 1079 CD1 LEU A 70 14.673 7.915 5.721 1.00 0.00 C ATOM 1080 CD2 LEU A 70 12.921 9.404 4.681 1.00 0.00 C ATOM 0 H LEU A 70 11.304 6.927 8.317 1.00 0.00 H new ATOM 0 HA LEU A 70 10.304 7.968 5.776 1.00 0.00 H new ATOM 0 HB2 LEU A 70 12.790 6.256 5.888 1.00 0.00 H new ATOM 0 HB3 LEU A 70 12.075 7.040 4.494 1.00 0.00 H new ATOM 0 HG LEU A 70 13.036 8.801 6.732 1.00 0.00 H new ATOM 0 HD11 LEU A 70 15.319 8.782 5.859 1.00 0.00 H new ATOM 0 HD12 LEU A 70 14.853 7.198 6.522 1.00 0.00 H new ATOM 0 HD13 LEU A 70 14.892 7.449 4.760 1.00 0.00 H new ATOM 0 HD21 LEU A 70 13.587 10.256 4.814 1.00 0.00 H new ATOM 0 HD22 LEU A 70 13.080 8.969 3.694 1.00 0.00 H new ATOM 0 HD23 LEU A 70 11.886 9.735 4.769 1.00 0.00 H new ATOM 1092 N TYR A 71 10.035 5.354 5.075 1.00 0.00 N ATOM 1093 CA TYR A 71 9.373 4.094 4.833 1.00 0.00 C ATOM 1094 C TYR A 71 10.199 3.438 3.727 1.00 0.00 C ATOM 1095 O TYR A 71 10.326 4.069 2.683 1.00 0.00 O ATOM 1096 CB TYR A 71 7.938 4.433 4.360 1.00 0.00 C ATOM 1097 CG TYR A 71 7.245 5.503 5.190 1.00 0.00 C ATOM 1098 CD1 TYR A 71 6.829 5.171 6.481 1.00 0.00 C ATOM 1099 CD2 TYR A 71 7.116 6.835 4.742 1.00 0.00 C ATOM 1100 CE1 TYR A 71 6.260 6.123 7.330 1.00 0.00 C ATOM 1101 CE2 TYR A 71 6.543 7.812 5.586 1.00 0.00 C ATOM 1102 CZ TYR A 71 6.101 7.454 6.888 1.00 0.00 C ATOM 1103 OH TYR A 71 5.522 8.356 7.731 1.00 0.00 O ATOM 0 H TYR A 71 10.292 5.843 4.217 1.00 0.00 H new ATOM 0 HA TYR A 71 9.301 3.431 5.695 1.00 0.00 H new ATOM 0 HB2 TYR A 71 7.978 4.763 3.322 1.00 0.00 H new ATOM 0 HB3 TYR A 71 7.336 3.525 4.383 1.00 0.00 H new ATOM 0 HD1 TYR A 71 6.950 4.156 6.831 1.00 0.00 H new ATOM 0 HD2 TYR A 71 7.455 7.107 3.754 1.00 0.00 H new ATOM 0 HE1 TYR A 71 5.942 5.841 8.323 1.00 0.00 H new ATOM 0 HE2 TYR A 71 6.441 8.831 5.242 1.00 0.00 H new ATOM 0 HH TYR A 71 5.479 9.232 7.293 1.00 0.00 H new ATOM 1113 N ARG A 72 10.781 2.246 3.914 1.00 0.00 N ATOM 1114 CA ARG A 72 11.587 1.543 2.901 1.00 0.00 C ATOM 1115 C ARG A 72 11.326 0.041 2.911 1.00 0.00 C ATOM 1116 O ARG A 72 11.122 -0.517 3.990 1.00 0.00 O ATOM 1117 CB ARG A 72 13.079 1.811 3.140 1.00 0.00 C ATOM 1118 CG ARG A 72 13.706 1.226 4.417 1.00 0.00 C ATOM 1119 CD ARG A 72 14.226 -0.208 4.254 1.00 0.00 C ATOM 1120 NE ARG A 72 15.318 -0.531 5.191 1.00 0.00 N ATOM 1121 CZ ARG A 72 15.979 -1.698 5.213 1.00 0.00 C ATOM 1122 NH1 ARG A 72 15.745 -2.626 4.302 1.00 0.00 N ATOM 1123 NH2 ARG A 72 16.888 -1.967 6.142 1.00 0.00 N ATOM 0 H ARG A 72 10.704 1.731 4.791 1.00 0.00 H new ATOM 0 HA ARG A 72 11.295 1.926 1.923 1.00 0.00 H new ATOM 0 HB2 ARG A 72 13.632 1.423 2.285 1.00 0.00 H new ATOM 0 HB3 ARG A 72 13.230 2.890 3.154 1.00 0.00 H new ATOM 0 HG2 ARG A 72 14.529 1.867 4.732 1.00 0.00 H new ATOM 0 HG3 ARG A 72 12.964 1.244 5.215 1.00 0.00 H new ATOM 0 HD2 ARG A 72 13.404 -0.907 4.407 1.00 0.00 H new ATOM 0 HD3 ARG A 72 14.577 -0.348 3.232 1.00 0.00 H new ATOM 0 HE ARG A 72 15.589 0.182 5.869 1.00 0.00 H new ATOM 0 HH11 ARG A 72 15.054 -2.459 3.570 1.00 0.00 H new ATOM 0 HH12 ARG A 72 16.255 -3.509 4.331 1.00 0.00 H new ATOM 0 HH21 ARG A 72 17.099 -1.278 6.864 1.00 0.00 H new ATOM 0 HH22 ARG A 72 17.375 -2.863 6.134 1.00 0.00 H new ATOM 1137 N LEU A 73 11.309 -0.631 1.764 1.00 0.00 N ATOM 1138 CA LEU A 73 10.891 -2.025 1.668 1.00 0.00 C ATOM 1139 C LEU A 73 11.765 -2.877 0.756 1.00 0.00 C ATOM 1140 O LEU A 73 11.979 -4.044 1.086 1.00 0.00 O ATOM 1141 CB LEU A 73 9.439 -2.058 1.194 1.00 0.00 C ATOM 1142 CG LEU A 73 8.767 -3.419 1.343 1.00 0.00 C ATOM 1143 CD1 LEU A 73 8.685 -3.965 2.776 1.00 0.00 C ATOM 1144 CD2 LEU A 73 7.366 -3.231 0.789 1.00 0.00 C ATOM 0 H LEU A 73 11.586 -0.222 0.872 1.00 0.00 H new ATOM 0 HA LEU A 73 10.997 -2.466 2.659 1.00 0.00 H new ATOM 0 HB2 LEU A 73 8.868 -1.319 1.756 1.00 0.00 H new ATOM 0 HB3 LEU A 73 9.403 -1.760 0.146 1.00 0.00 H new ATOM 0 HG LEU A 73 9.368 -4.160 0.815 1.00 0.00 H new ATOM 0 HD11 LEU A 73 8.190 -4.936 2.768 1.00 0.00 H new ATOM 0 HD12 LEU A 73 9.691 -4.074 3.182 1.00 0.00 H new ATOM 0 HD13 LEU A 73 8.116 -3.273 3.397 1.00 0.00 H new ATOM 0 HD21 LEU A 73 6.817 -4.170 0.861 1.00 0.00 H new ATOM 0 HD22 LEU A 73 6.848 -2.463 1.363 1.00 0.00 H new ATOM 0 HD23 LEU A 73 7.426 -2.925 -0.256 1.00 0.00 H new ATOM 1156 N GLU A 74 12.295 -2.310 -0.328 1.00 0.00 N ATOM 1157 CA GLU A 74 13.316 -2.965 -1.141 1.00 0.00 C ATOM 1158 C GLU A 74 14.434 -1.956 -1.385 1.00 0.00 C ATOM 1159 O GLU A 74 15.573 -2.136 -0.946 1.00 0.00 O ATOM 1160 CB GLU A 74 12.749 -3.526 -2.453 1.00 0.00 C ATOM 1161 CG GLU A 74 13.757 -4.349 -3.289 1.00 0.00 C ATOM 1162 CD GLU A 74 14.067 -5.758 -2.771 1.00 0.00 C ATOM 1163 OE1 GLU A 74 14.128 -5.999 -1.538 1.00 0.00 O ATOM 1164 OE2 GLU A 74 14.296 -6.663 -3.619 1.00 0.00 O ATOM 0 H GLU A 74 12.028 -1.385 -0.666 1.00 0.00 H new ATOM 0 HA GLU A 74 13.707 -3.832 -0.608 1.00 0.00 H new ATOM 0 HB2 GLU A 74 11.889 -4.155 -2.223 1.00 0.00 H new ATOM 0 HB3 GLU A 74 12.384 -2.697 -3.060 1.00 0.00 H new ATOM 0 HG2 GLU A 74 13.372 -4.433 -4.305 1.00 0.00 H new ATOM 0 HG3 GLU A 74 14.692 -3.791 -3.347 1.00 0.00 H new ATOM 1171 N GLY A 75 14.062 -0.861 -2.036 1.00 0.00 N ATOM 1172 CA GLY A 75 14.907 0.259 -2.372 1.00 0.00 C ATOM 1173 C GLY A 75 15.080 1.243 -1.214 1.00 0.00 C ATOM 1174 O GLY A 75 14.740 0.947 -0.060 1.00 0.00 O ATOM 0 H GLY A 75 13.103 -0.732 -2.359 1.00 0.00 H new ATOM 0 HA2 GLY A 75 15.886 -0.110 -2.678 1.00 0.00 H new ATOM 0 HA3 GLY A 75 14.483 0.784 -3.228 1.00 0.00 H new ATOM 1178 N GLU A 76 15.599 2.434 -1.515 1.00 0.00 N ATOM 1179 CA GLU A 76 15.689 3.519 -0.545 1.00 0.00 C ATOM 1180 C GLU A 76 14.300 3.942 -0.046 1.00 0.00 C ATOM 1181 O GLU A 76 13.258 3.551 -0.585 1.00 0.00 O ATOM 1182 CB GLU A 76 16.532 4.692 -1.074 1.00 0.00 C ATOM 1183 CG GLU A 76 15.829 5.644 -2.049 1.00 0.00 C ATOM 1184 CD GLU A 76 16.800 6.730 -2.516 1.00 0.00 C ATOM 1185 OE1 GLU A 76 17.816 6.400 -3.174 1.00 0.00 O ATOM 1186 OE2 GLU A 76 16.589 7.932 -2.235 1.00 0.00 O ATOM 0 H GLU A 76 15.967 2.670 -2.436 1.00 0.00 H new ATOM 0 HA GLU A 76 16.223 3.144 0.328 1.00 0.00 H new ATOM 0 HB2 GLU A 76 16.884 5.273 -0.222 1.00 0.00 H new ATOM 0 HB3 GLU A 76 17.414 4.285 -1.568 1.00 0.00 H new ATOM 0 HG2 GLU A 76 15.455 5.086 -2.908 1.00 0.00 H new ATOM 0 HG3 GLU A 76 14.966 6.101 -1.565 1.00 0.00 H new ATOM 1193 N GLY A 77 14.307 4.719 1.032 1.00 0.00 N ATOM 1194 CA GLY A 77 13.157 5.153 1.799 1.00 0.00 C ATOM 1195 C GLY A 77 12.771 6.576 1.449 1.00 0.00 C ATOM 1196 O GLY A 77 13.606 7.362 0.988 1.00 0.00 O ATOM 0 H GLY A 77 15.179 5.084 1.415 1.00 0.00 H new ATOM 0 HA2 GLY A 77 12.316 4.487 1.606 1.00 0.00 H new ATOM 0 HA3 GLY A 77 13.380 5.085 2.864 1.00 0.00 H new ATOM 1200 N PHE A 78 11.503 6.910 1.683 1.00 0.00 N ATOM 1201 CA PHE A 78 10.910 8.169 1.228 1.00 0.00 C ATOM 1202 C PHE A 78 10.169 8.851 2.380 1.00 0.00 C ATOM 1203 O PHE A 78 9.772 8.169 3.326 1.00 0.00 O ATOM 1204 CB PHE A 78 9.970 7.925 0.031 1.00 0.00 C ATOM 1205 CG PHE A 78 10.659 7.887 -1.326 1.00 0.00 C ATOM 1206 CD1 PHE A 78 11.362 6.746 -1.761 1.00 0.00 C ATOM 1207 CD2 PHE A 78 10.589 9.012 -2.175 1.00 0.00 C ATOM 1208 CE1 PHE A 78 11.943 6.712 -3.041 1.00 0.00 C ATOM 1209 CE2 PHE A 78 11.152 8.971 -3.461 1.00 0.00 C ATOM 1210 CZ PHE A 78 11.818 7.817 -3.899 1.00 0.00 C ATOM 0 H PHE A 78 10.854 6.313 2.196 1.00 0.00 H new ATOM 0 HA PHE A 78 11.708 8.832 0.895 1.00 0.00 H new ATOM 0 HB2 PHE A 78 9.448 6.980 0.184 1.00 0.00 H new ATOM 0 HB3 PHE A 78 9.213 8.709 0.016 1.00 0.00 H new ATOM 0 HD1 PHE A 78 11.455 5.892 -1.107 1.00 0.00 H new ATOM 0 HD2 PHE A 78 10.099 9.912 -1.833 1.00 0.00 H new ATOM 0 HE1 PHE A 78 12.486 5.836 -3.365 1.00 0.00 H new ATOM 0 HE2 PHE A 78 11.072 9.828 -4.113 1.00 0.00 H new ATOM 0 HZ PHE A 78 12.234 7.778 -4.895 1.00 0.00 H new ATOM 1220 N PRO A 79 9.946 10.176 2.296 1.00 0.00 N ATOM 1221 CA PRO A 79 9.288 10.964 3.336 1.00 0.00 C ATOM 1222 C PRO A 79 7.777 10.763 3.410 1.00 0.00 C ATOM 1223 O PRO A 79 7.169 11.205 4.385 1.00 0.00 O ATOM 1224 CB PRO A 79 9.588 12.423 2.976 1.00 0.00 C ATOM 1225 CG PRO A 79 9.692 12.380 1.457 1.00 0.00 C ATOM 1226 CD PRO A 79 10.389 11.050 1.216 1.00 0.00 C ATOM 0 HA PRO A 79 9.662 10.658 4.313 1.00 0.00 H new ATOM 0 HB2 PRO A 79 8.795 13.093 3.309 1.00 0.00 H new ATOM 0 HB3 PRO A 79 10.513 12.771 3.435 1.00 0.00 H new ATOM 0 HG2 PRO A 79 8.712 12.417 0.981 1.00 0.00 H new ATOM 0 HG3 PRO A 79 10.269 13.218 1.065 1.00 0.00 H new ATOM 0 HD2 PRO A 79 10.122 10.638 0.243 1.00 0.00 H new ATOM 0 HD3 PRO A 79 11.473 11.167 1.226 1.00 0.00 H new ATOM 1234 N SER A 80 7.166 10.145 2.401 1.00 0.00 N ATOM 1235 CA SER A 80 5.735 9.901 2.335 1.00 0.00 C ATOM 1236 C SER A 80 5.565 8.440 1.945 1.00 0.00 C ATOM 1237 O SER A 80 6.413 7.869 1.251 1.00 0.00 O ATOM 1238 CB SER A 80 5.055 10.883 1.360 1.00 0.00 C ATOM 1239 OG SER A 80 5.528 12.213 1.533 1.00 0.00 O ATOM 0 H SER A 80 7.670 9.793 1.587 1.00 0.00 H new ATOM 0 HA SER A 80 5.245 10.077 3.292 1.00 0.00 H new ATOM 0 HB2 SER A 80 5.239 10.563 0.335 1.00 0.00 H new ATOM 0 HB3 SER A 80 3.976 10.858 1.513 1.00 0.00 H new ATOM 0 HG SER A 80 5.076 12.806 0.897 1.00 0.00 H new ATOM 1245 N ILE A 81 4.497 7.817 2.435 1.00 0.00 N ATOM 1246 CA ILE A 81 4.094 6.490 2.001 1.00 0.00 C ATOM 1247 C ILE A 81 3.751 6.559 0.504 1.00 0.00 C ATOM 1248 O ILE A 81 4.287 5.741 -0.243 1.00 0.00 O ATOM 1249 CB ILE A 81 2.970 5.937 2.914 1.00 0.00 C ATOM 1250 CG1 ILE A 81 3.563 5.593 4.303 1.00 0.00 C ATOM 1251 CG2 ILE A 81 2.329 4.678 2.317 1.00 0.00 C ATOM 1252 CD1 ILE A 81 2.534 5.436 5.432 1.00 0.00 C ATOM 0 H ILE A 81 3.888 8.222 3.146 1.00 0.00 H new ATOM 0 HA ILE A 81 4.902 5.766 2.105 1.00 0.00 H new ATOM 0 HB ILE A 81 2.200 6.703 3.005 1.00 0.00 H new ATOM 0 HG12 ILE A 81 4.130 4.666 4.219 1.00 0.00 H new ATOM 0 HG13 ILE A 81 4.269 6.375 4.583 1.00 0.00 H new ATOM 0 HG21 ILE A 81 1.545 4.318 2.983 1.00 0.00 H new ATOM 0 HG22 ILE A 81 1.898 4.916 1.345 1.00 0.00 H new ATOM 0 HG23 ILE A 81 3.088 3.905 2.198 1.00 0.00 H new ATOM 0 HD11 ILE A 81 3.049 5.196 6.362 1.00 0.00 H new ATOM 0 HD12 ILE A 81 1.981 6.368 5.553 1.00 0.00 H new ATOM 0 HD13 ILE A 81 1.841 4.633 5.183 1.00 0.00 H new ATOM 1264 N PRO A 82 2.948 7.534 0.019 1.00 0.00 N ATOM 1265 CA PRO A 82 2.546 7.557 -1.385 1.00 0.00 C ATOM 1266 C PRO A 82 3.729 7.696 -2.346 1.00 0.00 C ATOM 1267 O PRO A 82 3.705 7.126 -3.438 1.00 0.00 O ATOM 1268 CB PRO A 82 1.525 8.698 -1.519 1.00 0.00 C ATOM 1269 CG PRO A 82 1.725 9.557 -0.278 1.00 0.00 C ATOM 1270 CD PRO A 82 2.243 8.578 0.755 1.00 0.00 C ATOM 0 HA PRO A 82 2.099 6.605 -1.672 1.00 0.00 H new ATOM 0 HB2 PRO A 82 1.695 9.274 -2.429 1.00 0.00 H new ATOM 0 HB3 PRO A 82 0.507 8.312 -1.571 1.00 0.00 H new ATOM 0 HG2 PRO A 82 2.437 10.363 -0.459 1.00 0.00 H new ATOM 0 HG3 PRO A 82 0.792 10.021 0.042 1.00 0.00 H new ATOM 0 HD2 PRO A 82 2.910 9.074 1.459 1.00 0.00 H new ATOM 0 HD3 PRO A 82 1.423 8.157 1.336 1.00 0.00 H new ATOM 1278 N LEU A 83 4.782 8.395 -1.919 1.00 0.00 N ATOM 1279 CA LEU A 83 6.020 8.545 -2.665 1.00 0.00 C ATOM 1280 C LEU A 83 6.755 7.220 -2.830 1.00 0.00 C ATOM 1281 O LEU A 83 7.307 6.948 -3.894 1.00 0.00 O ATOM 1282 CB LEU A 83 6.896 9.596 -1.967 1.00 0.00 C ATOM 1283 CG LEU A 83 6.638 11.031 -2.456 1.00 0.00 C ATOM 1284 CD1 LEU A 83 7.335 12.013 -1.508 1.00 0.00 C ATOM 1285 CD2 LEU A 83 7.173 11.278 -3.870 1.00 0.00 C ATOM 0 H LEU A 83 4.792 8.882 -1.023 1.00 0.00 H new ATOM 0 HA LEU A 83 5.784 8.883 -3.674 1.00 0.00 H new ATOM 0 HB2 LEU A 83 6.719 9.549 -0.892 1.00 0.00 H new ATOM 0 HB3 LEU A 83 7.945 9.348 -2.129 1.00 0.00 H new ATOM 0 HG LEU A 83 5.558 11.177 -2.471 1.00 0.00 H new ATOM 0 HD11 LEU A 83 7.158 13.034 -1.847 1.00 0.00 H new ATOM 0 HD12 LEU A 83 6.937 11.891 -0.501 1.00 0.00 H new ATOM 0 HD13 LEU A 83 8.407 11.814 -1.501 1.00 0.00 H new ATOM 0 HD21 LEU A 83 6.963 12.307 -4.164 1.00 0.00 H new ATOM 0 HD22 LEU A 83 8.250 11.108 -3.887 1.00 0.00 H new ATOM 0 HD23 LEU A 83 6.687 10.595 -4.567 1.00 0.00 H new ATOM 1297 N LEU A 84 6.783 6.399 -1.780 1.00 0.00 N ATOM 1298 CA LEU A 84 7.454 5.107 -1.816 1.00 0.00 C ATOM 1299 C LEU A 84 6.710 4.187 -2.767 1.00 0.00 C ATOM 1300 O LEU A 84 7.335 3.499 -3.571 1.00 0.00 O ATOM 1301 CB LEU A 84 7.465 4.535 -0.391 1.00 0.00 C ATOM 1302 CG LEU A 84 8.531 3.475 -0.056 1.00 0.00 C ATOM 1303 CD1 LEU A 84 8.391 2.167 -0.823 1.00 0.00 C ATOM 1304 CD2 LEU A 84 9.947 3.983 -0.277 1.00 0.00 C ATOM 0 H LEU A 84 6.342 6.613 -0.886 1.00 0.00 H new ATOM 0 HA LEU A 84 8.480 5.206 -2.171 1.00 0.00 H new ATOM 0 HB2 LEU A 84 7.588 5.366 0.304 1.00 0.00 H new ATOM 0 HB3 LEU A 84 6.485 4.099 -0.196 1.00 0.00 H new ATOM 0 HG LEU A 84 8.352 3.276 1.001 1.00 0.00 H new ATOM 0 HD11 LEU A 84 9.184 1.482 -0.522 1.00 0.00 H new ATOM 0 HD12 LEU A 84 7.422 1.719 -0.604 1.00 0.00 H new ATOM 0 HD13 LEU A 84 8.467 2.363 -1.893 1.00 0.00 H new ATOM 0 HD21 LEU A 84 10.659 3.197 -0.026 1.00 0.00 H new ATOM 0 HD22 LEU A 84 10.073 4.267 -1.322 1.00 0.00 H new ATOM 0 HD23 LEU A 84 10.126 4.850 0.358 1.00 0.00 H new ATOM 1316 N ILE A 85 5.377 4.210 -2.682 1.00 0.00 N ATOM 1317 CA ILE A 85 4.512 3.438 -3.549 1.00 0.00 C ATOM 1318 C ILE A 85 4.858 3.703 -4.998 1.00 0.00 C ATOM 1319 O ILE A 85 4.900 2.744 -5.751 1.00 0.00 O ATOM 1320 CB ILE A 85 3.027 3.697 -3.206 1.00 0.00 C ATOM 1321 CG1 ILE A 85 2.676 3.092 -1.829 1.00 0.00 C ATOM 1322 CG2 ILE A 85 2.041 3.214 -4.291 1.00 0.00 C ATOM 1323 CD1 ILE A 85 3.026 1.604 -1.683 1.00 0.00 C ATOM 0 H ILE A 85 4.872 4.774 -1.999 1.00 0.00 H new ATOM 0 HA ILE A 85 4.675 2.373 -3.383 1.00 0.00 H new ATOM 0 HB ILE A 85 2.910 4.780 -3.165 1.00 0.00 H new ATOM 0 HG12 ILE A 85 3.199 3.654 -1.055 1.00 0.00 H new ATOM 0 HG13 ILE A 85 1.609 3.221 -1.650 1.00 0.00 H new ATOM 0 HG21 ILE A 85 1.020 3.431 -3.977 1.00 0.00 H new ATOM 0 HG22 ILE A 85 2.250 3.730 -5.228 1.00 0.00 H new ATOM 0 HG23 ILE A 85 2.156 2.140 -4.435 1.00 0.00 H new ATOM 0 HD11 ILE A 85 2.747 1.261 -0.687 1.00 0.00 H new ATOM 0 HD12 ILE A 85 2.483 1.027 -2.431 1.00 0.00 H new ATOM 0 HD13 ILE A 85 4.098 1.466 -1.827 1.00 0.00 H new ATOM 1335 N ASP A 86 5.134 4.935 -5.417 1.00 0.00 N ATOM 1336 CA ASP A 86 5.388 5.166 -6.838 1.00 0.00 C ATOM 1337 C ASP A 86 6.672 4.484 -7.279 1.00 0.00 C ATOM 1338 O ASP A 86 6.713 3.856 -8.333 1.00 0.00 O ATOM 1339 CB ASP A 86 5.477 6.653 -7.122 1.00 0.00 C ATOM 1340 CG ASP A 86 5.526 6.955 -8.617 1.00 0.00 C ATOM 1341 OD1 ASP A 86 4.649 6.451 -9.355 1.00 0.00 O ATOM 1342 OD2 ASP A 86 6.355 7.805 -9.017 1.00 0.00 O ATOM 0 H ASP A 86 5.187 5.761 -4.821 1.00 0.00 H new ATOM 0 HA ASP A 86 4.557 4.741 -7.401 1.00 0.00 H new ATOM 0 HB2 ASP A 86 4.618 7.157 -6.680 1.00 0.00 H new ATOM 0 HB3 ASP A 86 6.367 7.060 -6.642 1.00 0.00 H new ATOM 1347 N HIS A 87 7.717 4.550 -6.453 1.00 0.00 N ATOM 1348 CA HIS A 87 8.979 3.895 -6.762 1.00 0.00 C ATOM 1349 C HIS A 87 8.898 2.367 -6.600 1.00 0.00 C ATOM 1350 O HIS A 87 9.852 1.662 -6.902 1.00 0.00 O ATOM 1351 CB HIS A 87 10.103 4.472 -5.901 1.00 0.00 C ATOM 1352 CG HIS A 87 11.484 4.190 -6.427 1.00 0.00 C ATOM 1353 ND1 HIS A 87 12.166 4.952 -7.343 1.00 0.00 N ATOM 1354 CD2 HIS A 87 12.285 3.136 -6.084 1.00 0.00 C ATOM 1355 CE1 HIS A 87 13.355 4.369 -7.549 1.00 0.00 C ATOM 1356 NE2 HIS A 87 13.470 3.245 -6.819 1.00 0.00 N ATOM 0 H HIS A 87 7.710 5.052 -5.565 1.00 0.00 H new ATOM 0 HA HIS A 87 9.199 4.092 -7.811 1.00 0.00 H new ATOM 0 HB2 HIS A 87 9.969 5.551 -5.822 1.00 0.00 H new ATOM 0 HB3 HIS A 87 10.019 4.066 -4.893 1.00 0.00 H new ATOM 0 HD2 HIS A 87 12.046 2.359 -5.373 1.00 0.00 H new ATOM 0 HE1 HIS A 87 14.118 4.750 -8.212 1.00 0.00 H new ATOM 0 HE2 HIS A 87 14.262 2.602 -6.804 1.00 0.00 H new ATOM 1364 N LEU A 88 7.777 1.811 -6.153 1.00 0.00 N ATOM 1365 CA LEU A 88 7.473 0.382 -6.198 1.00 0.00 C ATOM 1366 C LEU A 88 6.564 0.090 -7.392 1.00 0.00 C ATOM 1367 O LEU A 88 6.688 -0.947 -8.036 1.00 0.00 O ATOM 1368 CB LEU A 88 6.747 0.028 -4.906 1.00 0.00 C ATOM 1369 CG LEU A 88 7.642 -0.056 -3.661 1.00 0.00 C ATOM 1370 CD1 LEU A 88 7.003 -1.132 -2.805 1.00 0.00 C ATOM 1371 CD2 LEU A 88 9.131 -0.379 -3.862 1.00 0.00 C ATOM 0 H LEU A 88 7.027 2.361 -5.734 1.00 0.00 H new ATOM 0 HA LEU A 88 8.386 -0.204 -6.301 1.00 0.00 H new ATOM 0 HB2 LEU A 88 5.971 0.772 -4.727 1.00 0.00 H new ATOM 0 HB3 LEU A 88 6.245 -0.930 -5.040 1.00 0.00 H new ATOM 0 HG LEU A 88 7.683 0.943 -3.226 1.00 0.00 H new ATOM 0 HD11 LEU A 88 7.581 -1.259 -1.889 1.00 0.00 H new ATOM 0 HD12 LEU A 88 5.984 -0.839 -2.553 1.00 0.00 H new ATOM 0 HD13 LEU A 88 6.985 -2.072 -3.356 1.00 0.00 H new ATOM 0 HD21 LEU A 88 9.632 -0.404 -2.894 1.00 0.00 H new ATOM 0 HD22 LEU A 88 9.230 -1.350 -4.347 1.00 0.00 H new ATOM 0 HD23 LEU A 88 9.588 0.388 -4.487 1.00 0.00 H new ATOM 1383 N LEU A 89 5.636 0.991 -7.713 1.00 0.00 N ATOM 1384 CA LEU A 89 4.598 0.771 -8.711 1.00 0.00 C ATOM 1385 C LEU A 89 5.122 1.006 -10.112 1.00 0.00 C ATOM 1386 O LEU A 89 4.649 0.416 -11.082 1.00 0.00 O ATOM 1387 CB LEU A 89 3.406 1.704 -8.446 1.00 0.00 C ATOM 1388 CG LEU A 89 2.087 0.982 -8.723 1.00 0.00 C ATOM 1389 CD1 LEU A 89 1.029 1.475 -7.744 1.00 0.00 C ATOM 1390 CD2 LEU A 89 1.534 1.094 -10.123 1.00 0.00 C ATOM 0 H LEU A 89 5.587 1.911 -7.276 1.00 0.00 H new ATOM 0 HA LEU A 89 4.276 -0.268 -8.634 1.00 0.00 H new ATOM 0 HB2 LEU A 89 3.429 2.048 -7.412 1.00 0.00 H new ATOM 0 HB3 LEU A 89 3.482 2.589 -9.078 1.00 0.00 H new ATOM 0 HG LEU A 89 2.327 -0.074 -8.597 1.00 0.00 H new ATOM 0 HD11 LEU A 89 0.087 0.963 -7.938 1.00 0.00 H new ATOM 0 HD12 LEU A 89 1.352 1.267 -6.724 1.00 0.00 H new ATOM 0 HD13 LEU A 89 0.890 2.549 -7.868 1.00 0.00 H new ATOM 0 HD21 LEU A 89 0.598 0.540 -10.190 1.00 0.00 H new ATOM 0 HD22 LEU A 89 1.353 2.142 -10.360 1.00 0.00 H new ATOM 0 HD23 LEU A 89 2.252 0.681 -10.832 1.00 0.00 H new ATOM 1402 N SER A 90 6.121 1.869 -10.229 1.00 0.00 N ATOM 1403 CA SER A 90 6.756 2.124 -11.491 1.00 0.00 C ATOM 1404 C SER A 90 7.765 1.006 -11.784 1.00 0.00 C ATOM 1405 O SER A 90 8.030 0.710 -12.947 1.00 0.00 O ATOM 1406 CB SER A 90 7.429 3.508 -11.417 1.00 0.00 C ATOM 1407 OG SER A 90 8.240 3.808 -12.541 1.00 0.00 O ATOM 0 H SER A 90 6.504 2.404 -9.450 1.00 0.00 H new ATOM 0 HA SER A 90 6.033 2.133 -12.307 1.00 0.00 H new ATOM 0 HB2 SER A 90 6.658 4.273 -11.322 1.00 0.00 H new ATOM 0 HB3 SER A 90 8.040 3.557 -10.516 1.00 0.00 H new ATOM 0 HG SER A 90 8.635 4.698 -12.431 1.00 0.00 H new ATOM 1413 N THR A 91 8.338 0.403 -10.741 1.00 0.00 N ATOM 1414 CA THR A 91 9.508 -0.457 -10.838 1.00 0.00 C ATOM 1415 C THR A 91 9.067 -1.922 -10.840 1.00 0.00 C ATOM 1416 O THR A 91 9.592 -2.729 -11.604 1.00 0.00 O ATOM 1417 CB THR A 91 10.448 -0.124 -9.668 1.00 0.00 C ATOM 1418 OG1 THR A 91 9.773 -0.398 -8.458 1.00 0.00 O ATOM 1419 CG2 THR A 91 10.880 1.353 -9.633 1.00 0.00 C ATOM 0 H THR A 91 7.991 0.504 -9.787 1.00 0.00 H new ATOM 0 HA THR A 91 10.049 -0.288 -11.769 1.00 0.00 H new ATOM 0 HB THR A 91 11.343 -0.732 -9.799 1.00 0.00 H new ATOM 0 HG1 THR A 91 9.600 0.441 -7.982 1.00 0.00 H new ATOM 0 HG21 THR A 91 11.542 1.518 -8.783 1.00 0.00 H new ATOM 0 HG22 THR A 91 11.405 1.600 -10.555 1.00 0.00 H new ATOM 0 HG23 THR A 91 9.999 1.988 -9.536 1.00 0.00 H new ATOM 1427 N GLN A 92 8.004 -2.232 -10.083 1.00 0.00 N ATOM 1428 CA GLN A 92 7.423 -3.563 -9.913 1.00 0.00 C ATOM 1429 C GLN A 92 8.397 -4.458 -9.137 1.00 0.00 C ATOM 1430 O GLN A 92 8.541 -5.652 -9.419 1.00 0.00 O ATOM 1431 CB GLN A 92 6.932 -4.170 -11.247 1.00 0.00 C ATOM 1432 CG GLN A 92 6.203 -3.222 -12.221 1.00 0.00 C ATOM 1433 CD GLN A 92 4.767 -2.940 -11.808 1.00 0.00 C ATOM 1434 OE1 GLN A 92 4.529 -2.419 -10.623 1.00 0.00 O flip ATOM 1435 NE2 GLN A 92 3.837 -3.138 -12.586 1.00 0.00 N flip ATOM 0 H GLN A 92 7.504 -1.522 -9.548 1.00 0.00 H new ATOM 0 HA GLN A 92 6.517 -3.479 -9.313 1.00 0.00 H new ATOM 0 HB2 GLN A 92 7.794 -4.591 -11.765 1.00 0.00 H new ATOM 0 HB3 GLN A 92 6.263 -4.999 -11.016 1.00 0.00 H new ATOM 0 HG2 GLN A 92 6.750 -2.281 -12.282 1.00 0.00 H new ATOM 0 HG3 GLN A 92 6.209 -3.660 -13.219 1.00 0.00 H new ATOM 0 HE21 GLN A 92 4.018 -3.542 -13.505 1.00 0.00 H new ATOM 0 HE22 GLN A 92 2.884 -2.899 -12.313 1.00 0.00 H new ATOM 1444 N GLN A 93 9.088 -3.854 -8.170 1.00 0.00 N ATOM 1445 CA GLN A 93 9.987 -4.518 -7.226 1.00 0.00 C ATOM 1446 C GLN A 93 9.208 -5.530 -6.374 1.00 0.00 C ATOM 1447 O GLN A 93 8.003 -5.346 -6.181 1.00 0.00 O ATOM 1448 CB GLN A 93 10.619 -3.444 -6.313 1.00 0.00 C ATOM 1449 CG GLN A 93 11.987 -3.005 -6.819 1.00 0.00 C ATOM 1450 CD GLN A 93 12.484 -1.728 -6.164 1.00 0.00 C ATOM 1451 OE1 GLN A 93 13.356 -1.718 -5.302 1.00 0.00 O ATOM 1452 NE2 GLN A 93 11.940 -0.610 -6.583 1.00 0.00 N ATOM 0 H GLN A 93 9.034 -2.847 -8.017 1.00 0.00 H new ATOM 0 HA GLN A 93 10.764 -5.052 -7.772 1.00 0.00 H new ATOM 0 HB2 GLN A 93 9.958 -2.579 -6.257 1.00 0.00 H new ATOM 0 HB3 GLN A 93 10.715 -3.838 -5.301 1.00 0.00 H new ATOM 0 HG2 GLN A 93 12.707 -3.803 -6.639 1.00 0.00 H new ATOM 0 HG3 GLN A 93 11.938 -2.858 -7.898 1.00 0.00 H new ATOM 0 HE21 GLN A 93 11.216 -0.633 -7.301 1.00 0.00 H new ATOM 0 HE22 GLN A 93 12.242 0.282 -6.191 1.00 0.00 H new ATOM 1461 N PRO A 94 9.868 -6.486 -5.706 1.00 0.00 N ATOM 1462 CA PRO A 94 9.256 -7.301 -4.662 1.00 0.00 C ATOM 1463 C PRO A 94 9.154 -6.562 -3.328 1.00 0.00 C ATOM 1464 O PRO A 94 9.947 -5.665 -3.038 1.00 0.00 O ATOM 1465 CB PRO A 94 10.177 -8.512 -4.529 1.00 0.00 C ATOM 1466 CG PRO A 94 11.551 -7.894 -4.811 1.00 0.00 C ATOM 1467 CD PRO A 94 11.274 -6.807 -5.854 1.00 0.00 C ATOM 0 HA PRO A 94 8.232 -7.568 -4.924 1.00 0.00 H new ATOM 0 HB2 PRO A 94 10.125 -8.958 -3.536 1.00 0.00 H new ATOM 0 HB3 PRO A 94 9.927 -9.296 -5.244 1.00 0.00 H new ATOM 0 HG2 PRO A 94 11.991 -7.474 -3.906 1.00 0.00 H new ATOM 0 HG3 PRO A 94 12.251 -8.639 -5.190 1.00 0.00 H new ATOM 0 HD2 PRO A 94 11.898 -5.930 -5.683 1.00 0.00 H new ATOM 0 HD3 PRO A 94 11.493 -7.163 -6.861 1.00 0.00 H new ATOM 1475 N LEU A 95 8.208 -6.973 -2.481 1.00 0.00 N ATOM 1476 CA LEU A 95 8.040 -6.444 -1.128 1.00 0.00 C ATOM 1477 C LEU A 95 8.981 -7.139 -0.141 1.00 0.00 C ATOM 1478 O LEU A 95 9.492 -6.522 0.788 1.00 0.00 O ATOM 1479 CB LEU A 95 6.594 -6.630 -0.650 1.00 0.00 C ATOM 1480 CG LEU A 95 5.506 -5.959 -1.510 1.00 0.00 C ATOM 1481 CD1 LEU A 95 4.206 -5.975 -0.708 1.00 0.00 C ATOM 1482 CD2 LEU A 95 5.779 -4.541 -2.013 1.00 0.00 C ATOM 0 H LEU A 95 7.527 -7.694 -2.721 1.00 0.00 H new ATOM 0 HA LEU A 95 8.281 -5.382 -1.163 1.00 0.00 H new ATOM 0 HB2 LEU A 95 6.383 -7.698 -0.602 1.00 0.00 H new ATOM 0 HB3 LEU A 95 6.516 -6.243 0.366 1.00 0.00 H new ATOM 0 HG LEU A 95 5.465 -6.545 -2.428 1.00 0.00 H new ATOM 0 HD11 LEU A 95 3.413 -5.506 -1.291 1.00 0.00 H new ATOM 0 HD12 LEU A 95 3.930 -7.005 -0.483 1.00 0.00 H new ATOM 0 HD13 LEU A 95 4.346 -5.425 0.223 1.00 0.00 H new ATOM 0 HD21 LEU A 95 4.931 -4.195 -2.603 1.00 0.00 H new ATOM 0 HD22 LEU A 95 5.925 -3.875 -1.163 1.00 0.00 H new ATOM 0 HD23 LEU A 95 6.676 -4.541 -2.632 1.00 0.00 H new ATOM 1494 N THR A 96 9.205 -8.440 -0.304 1.00 0.00 N ATOM 1495 CA THR A 96 10.139 -9.179 0.524 1.00 0.00 C ATOM 1496 C THR A 96 10.574 -10.414 -0.254 1.00 0.00 C ATOM 1497 O THR A 96 9.765 -11.049 -0.943 1.00 0.00 O ATOM 1498 CB THR A 96 9.504 -9.519 1.900 1.00 0.00 C ATOM 1499 OG1 THR A 96 10.194 -10.584 2.533 1.00 0.00 O ATOM 1500 CG2 THR A 96 8.036 -9.956 1.822 1.00 0.00 C ATOM 0 H THR A 96 8.742 -9.007 -1.015 1.00 0.00 H new ATOM 0 HA THR A 96 11.022 -8.580 0.749 1.00 0.00 H new ATOM 0 HB THR A 96 9.575 -8.586 2.460 1.00 0.00 H new ATOM 0 HG1 THR A 96 9.775 -10.777 3.398 1.00 0.00 H new ATOM 0 HG21 THR A 96 7.668 -10.175 2.824 1.00 0.00 H new ATOM 0 HG22 THR A 96 7.441 -9.155 1.384 1.00 0.00 H new ATOM 0 HG23 THR A 96 7.955 -10.849 1.202 1.00 0.00 H new ATOM 1508 N LYS A 97 11.816 -10.840 -0.027 1.00 0.00 N ATOM 1509 CA LYS A 97 12.353 -12.131 -0.438 1.00 0.00 C ATOM 1510 C LYS A 97 11.572 -13.328 0.104 1.00 0.00 C ATOM 1511 O LYS A 97 11.847 -14.443 -0.332 1.00 0.00 O ATOM 1512 CB LYS A 97 13.854 -12.197 -0.076 1.00 0.00 C ATOM 1513 CG LYS A 97 14.779 -12.446 -1.279 1.00 0.00 C ATOM 1514 CD LYS A 97 14.693 -11.317 -2.317 1.00 0.00 C ATOM 1515 CE LYS A 97 15.649 -11.523 -3.498 1.00 0.00 C ATOM 1516 NZ LYS A 97 17.024 -11.085 -3.193 1.00 0.00 N ATOM 0 H LYS A 97 12.501 -10.270 0.469 1.00 0.00 H new ATOM 0 HA LYS A 97 12.239 -12.206 -1.519 1.00 0.00 H new ATOM 0 HB2 LYS A 97 14.143 -11.262 0.403 1.00 0.00 H new ATOM 0 HB3 LYS A 97 14.006 -12.990 0.656 1.00 0.00 H new ATOM 0 HG2 LYS A 97 15.808 -12.541 -0.931 1.00 0.00 H new ATOM 0 HG3 LYS A 97 14.513 -13.392 -1.750 1.00 0.00 H new ATOM 0 HD2 LYS A 97 13.671 -11.249 -2.690 1.00 0.00 H new ATOM 0 HD3 LYS A 97 14.919 -10.367 -1.833 1.00 0.00 H new ATOM 0 HE2 LYS A 97 15.659 -12.578 -3.773 1.00 0.00 H new ATOM 0 HE3 LYS A 97 15.278 -10.972 -4.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 17.631 -11.245 -4.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 17.021 -10.072 -2.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 17.390 -11.629 -2.386 1.00 0.00 H new ATOM 1530 N LYS A 98 10.606 -13.150 1.013 1.00 0.00 N ATOM 1531 CA LYS A 98 9.762 -14.246 1.482 1.00 0.00 C ATOM 1532 C LYS A 98 8.528 -14.493 0.640 1.00 0.00 C ATOM 1533 O LYS A 98 7.912 -15.546 0.805 1.00 0.00 O ATOM 1534 CB LYS A 98 9.336 -14.010 2.943 1.00 0.00 C ATOM 1535 CG LYS A 98 10.508 -14.163 3.912 1.00 0.00 C ATOM 1536 CD LYS A 98 10.981 -15.624 3.973 1.00 0.00 C ATOM 1537 CE LYS A 98 12.489 -15.711 4.222 1.00 0.00 C ATOM 1538 NZ LYS A 98 12.840 -15.272 5.589 1.00 0.00 N ATOM 0 H LYS A 98 10.391 -12.248 1.439 1.00 0.00 H new ATOM 0 HA LYS A 98 10.381 -15.139 1.396 1.00 0.00 H new ATOM 0 HB2 LYS A 98 8.913 -13.010 3.040 1.00 0.00 H new ATOM 0 HB3 LYS A 98 8.550 -14.716 3.210 1.00 0.00 H new ATOM 0 HG2 LYS A 98 11.332 -13.523 3.597 1.00 0.00 H new ATOM 0 HG3 LYS A 98 10.209 -13.831 4.906 1.00 0.00 H new ATOM 0 HD2 LYS A 98 10.448 -16.148 4.767 1.00 0.00 H new ATOM 0 HD3 LYS A 98 10.735 -16.127 3.038 1.00 0.00 H new ATOM 0 HE2 LYS A 98 12.825 -16.737 4.071 1.00 0.00 H new ATOM 0 HE3 LYS A 98 13.015 -15.093 3.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 13.869 -15.344 5.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 12.541 -14.285 5.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 12.357 -15.878 6.283 1.00 0.00 H new ATOM 1552 N SER A 99 8.124 -13.561 -0.220 1.00 0.00 N ATOM 1553 CA SER A 99 6.875 -13.761 -0.948 1.00 0.00 C ATOM 1554 C SER A 99 6.835 -13.085 -2.326 1.00 0.00 C ATOM 1555 O SER A 99 5.903 -13.330 -3.092 1.00 0.00 O ATOM 1556 CB SER A 99 5.676 -13.392 -0.044 1.00 0.00 C ATOM 1557 OG SER A 99 5.987 -12.438 0.957 1.00 0.00 O ATOM 0 H SER A 99 8.620 -12.694 -0.425 1.00 0.00 H new ATOM 0 HA SER A 99 6.804 -14.822 -1.190 1.00 0.00 H new ATOM 0 HB2 SER A 99 4.870 -13.003 -0.666 1.00 0.00 H new ATOM 0 HB3 SER A 99 5.301 -14.297 0.434 1.00 0.00 H new ATOM 0 HG SER A 99 5.158 -12.073 1.330 1.00 0.00 H new ATOM 1563 N GLY A 100 7.829 -12.256 -2.667 1.00 0.00 N ATOM 1564 CA GLY A 100 8.073 -11.690 -3.995 1.00 0.00 C ATOM 1565 C GLY A 100 6.992 -10.770 -4.558 1.00 0.00 C ATOM 1566 O GLY A 100 7.218 -10.206 -5.624 1.00 0.00 O ATOM 0 H GLY A 100 8.521 -11.947 -1.985 1.00 0.00 H new ATOM 0 HA2 GLY A 100 9.009 -11.133 -3.961 1.00 0.00 H new ATOM 0 HA3 GLY A 100 8.217 -12.513 -4.695 1.00 0.00 H new ATOM 1570 N VAL A 101 5.903 -10.547 -3.817 1.00 0.00 N ATOM 1571 CA VAL A 101 4.794 -9.637 -4.038 1.00 0.00 C ATOM 1572 C VAL A 101 5.212 -8.352 -4.770 1.00 0.00 C ATOM 1573 O VAL A 101 6.130 -7.701 -4.286 1.00 0.00 O ATOM 1574 CB VAL A 101 4.249 -9.329 -2.628 1.00 0.00 C ATOM 1575 CG1 VAL A 101 2.950 -8.550 -2.683 1.00 0.00 C ATOM 1576 CG2 VAL A 101 4.052 -10.549 -1.724 1.00 0.00 C ATOM 0 H VAL A 101 5.770 -11.065 -2.948 1.00 0.00 H new ATOM 0 HA VAL A 101 4.043 -10.087 -4.687 1.00 0.00 H new ATOM 0 HB VAL A 101 5.039 -8.727 -2.179 1.00 0.00 H new ATOM 0 HG11 VAL A 101 2.600 -8.354 -1.669 1.00 0.00 H new ATOM 0 HG12 VAL A 101 3.114 -7.604 -3.200 1.00 0.00 H new ATOM 0 HG13 VAL A 101 2.200 -9.131 -3.220 1.00 0.00 H new ATOM 0 HG21 VAL A 101 3.666 -10.227 -0.757 1.00 0.00 H new ATOM 0 HG22 VAL A 101 3.343 -11.235 -2.187 1.00 0.00 H new ATOM 0 HG23 VAL A 101 5.007 -11.056 -1.583 1.00 0.00 H new ATOM 1586 N VAL A 102 4.530 -7.922 -5.843 1.00 0.00 N ATOM 1587 CA VAL A 102 4.822 -6.638 -6.503 1.00 0.00 C ATOM 1588 C VAL A 102 3.533 -5.828 -6.698 1.00 0.00 C ATOM 1589 O VAL A 102 2.493 -6.406 -7.027 1.00 0.00 O ATOM 1590 CB VAL A 102 5.642 -6.820 -7.809 1.00 0.00 C ATOM 1591 CG1 VAL A 102 6.574 -8.040 -7.820 1.00 0.00 C ATOM 1592 CG2 VAL A 102 4.836 -6.761 -9.107 1.00 0.00 C ATOM 0 H VAL A 102 3.769 -8.447 -6.274 1.00 0.00 H new ATOM 0 HA VAL A 102 5.467 -6.055 -5.846 1.00 0.00 H new ATOM 0 HB VAL A 102 6.268 -5.928 -7.788 1.00 0.00 H new ATOM 0 HG11 VAL A 102 7.104 -8.084 -8.771 1.00 0.00 H new ATOM 0 HG12 VAL A 102 7.295 -7.955 -7.007 1.00 0.00 H new ATOM 0 HG13 VAL A 102 5.986 -8.948 -7.690 1.00 0.00 H new ATOM 0 HG21 VAL A 102 5.504 -6.899 -9.957 1.00 0.00 H new ATOM 0 HG22 VAL A 102 4.084 -7.550 -9.105 1.00 0.00 H new ATOM 0 HG23 VAL A 102 4.344 -5.791 -9.186 1.00 0.00 H new ATOM 1602 N LEU A 103 3.571 -4.512 -6.448 1.00 0.00 N ATOM 1603 CA LEU A 103 2.422 -3.625 -6.624 1.00 0.00 C ATOM 1604 C LEU A 103 1.979 -3.696 -8.070 1.00 0.00 C ATOM 1605 O LEU A 103 2.832 -3.691 -8.953 1.00 0.00 O ATOM 1606 CB LEU A 103 2.774 -2.156 -6.343 1.00 0.00 C ATOM 1607 CG LEU A 103 3.256 -1.799 -4.930 1.00 0.00 C ATOM 1608 CD1 LEU A 103 3.442 -0.292 -4.890 1.00 0.00 C ATOM 1609 CD2 LEU A 103 2.260 -2.153 -3.828 1.00 0.00 C ATOM 0 H LEU A 103 4.408 -4.033 -6.116 1.00 0.00 H new ATOM 0 HA LEU A 103 1.649 -3.949 -5.927 1.00 0.00 H new ATOM 0 HB2 LEU A 103 3.549 -1.855 -7.048 1.00 0.00 H new ATOM 0 HB3 LEU A 103 1.893 -1.552 -6.560 1.00 0.00 H new ATOM 0 HG LEU A 103 4.167 -2.368 -4.744 1.00 0.00 H new ATOM 0 HD11 LEU A 103 3.785 0.006 -3.899 1.00 0.00 H new ATOM 0 HD12 LEU A 103 4.181 0.003 -5.634 1.00 0.00 H new ATOM 0 HD13 LEU A 103 2.493 0.198 -5.107 1.00 0.00 H new ATOM 0 HD21 LEU A 103 2.673 -1.870 -2.860 1.00 0.00 H new ATOM 0 HD22 LEU A 103 1.326 -1.616 -3.995 1.00 0.00 H new ATOM 0 HD23 LEU A 103 2.069 -3.226 -3.841 1.00 0.00 H new ATOM 1621 N HIS A 104 0.677 -3.655 -8.340 1.00 0.00 N ATOM 1622 CA HIS A 104 0.220 -3.640 -9.721 1.00 0.00 C ATOM 1623 C HIS A 104 -1.081 -2.860 -9.904 1.00 0.00 C ATOM 1624 O HIS A 104 -1.227 -2.229 -10.952 1.00 0.00 O ATOM 1625 CB HIS A 104 0.055 -5.082 -10.216 1.00 0.00 C ATOM 1626 CG HIS A 104 1.212 -5.653 -10.993 1.00 0.00 C ATOM 1627 ND1 HIS A 104 1.705 -5.199 -12.192 1.00 0.00 N ATOM 1628 CD2 HIS A 104 1.885 -6.799 -10.683 1.00 0.00 C ATOM 1629 CE1 HIS A 104 2.677 -6.038 -12.584 1.00 0.00 C ATOM 1630 NE2 HIS A 104 2.807 -7.051 -11.710 1.00 0.00 N ATOM 0 H HIS A 104 -0.062 -3.632 -7.638 1.00 0.00 H new ATOM 0 HA HIS A 104 0.975 -3.125 -10.314 1.00 0.00 H new ATOM 0 HB2 HIS A 104 -0.128 -5.722 -9.353 1.00 0.00 H new ATOM 0 HB3 HIS A 104 -0.836 -5.130 -10.842 1.00 0.00 H new ATOM 0 HD2 HIS A 104 1.734 -7.405 -9.802 1.00 0.00 H new ATOM 0 HE1 HIS A 104 3.272 -5.916 -13.477 1.00 0.00 H new ATOM 0 HE2 HIS A 104 3.446 -7.843 -11.779 1.00 0.00 H new ATOM 1638 N ARG A 105 -2.015 -2.851 -8.946 1.00 0.00 N ATOM 1639 CA ARG A 105 -3.280 -2.131 -9.091 1.00 0.00 C ATOM 1640 C ARG A 105 -3.705 -1.539 -7.753 1.00 0.00 C ATOM 1641 O ARG A 105 -3.470 -2.148 -6.719 1.00 0.00 O ATOM 1642 CB ARG A 105 -4.350 -3.098 -9.623 1.00 0.00 C ATOM 1643 CG ARG A 105 -5.569 -2.390 -10.217 1.00 0.00 C ATOM 1644 CD ARG A 105 -5.267 -1.952 -11.658 1.00 0.00 C ATOM 1645 NE ARG A 105 -5.885 -0.661 -11.977 1.00 0.00 N ATOM 1646 CZ ARG A 105 -6.154 -0.186 -13.194 1.00 0.00 C ATOM 1647 NH1 ARG A 105 -6.015 -0.955 -14.270 1.00 0.00 N ATOM 1648 NH2 ARG A 105 -6.578 1.064 -13.316 1.00 0.00 N ATOM 0 H ARG A 105 -1.914 -3.339 -8.056 1.00 0.00 H new ATOM 0 HA ARG A 105 -3.157 -1.310 -9.798 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -3.904 -3.738 -10.385 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -4.677 -3.748 -8.812 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -6.431 -3.057 -10.203 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -5.828 -1.522 -9.610 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -4.188 -1.883 -11.798 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -5.631 -2.710 -12.352 1.00 0.00 H new ATOM 0 HE ARG A 105 -6.135 -0.065 -11.188 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -5.700 -1.920 -14.170 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -6.224 -0.580 -15.195 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -6.694 1.646 -12.487 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -6.788 1.443 -14.239 1.00 0.00 H new ATOM 1662 N ALA A 106 -4.344 -0.376 -7.757 1.00 0.00 N ATOM 1663 CA ALA A 106 -4.721 0.346 -6.552 1.00 0.00 C ATOM 1664 C ALA A 106 -6.245 0.370 -6.426 1.00 0.00 C ATOM 1665 O ALA A 106 -6.912 0.950 -7.288 1.00 0.00 O ATOM 1666 CB ALA A 106 -4.146 1.759 -6.658 1.00 0.00 C ATOM 0 H ALA A 106 -4.619 0.100 -8.616 1.00 0.00 H new ATOM 0 HA ALA A 106 -4.326 -0.139 -5.660 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -4.412 2.328 -5.767 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -3.061 1.705 -6.743 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -4.555 2.253 -7.539 1.00 0.00 H new ATOM 1672 N VAL A 107 -6.819 -0.224 -5.379 1.00 0.00 N ATOM 1673 CA VAL A 107 -8.267 -0.177 -5.136 1.00 0.00 C ATOM 1674 C VAL A 107 -8.676 1.267 -4.849 1.00 0.00 C ATOM 1675 O VAL A 107 -8.143 1.859 -3.916 1.00 0.00 O ATOM 1676 CB VAL A 107 -8.659 -1.068 -3.943 1.00 0.00 C ATOM 1677 CG1 VAL A 107 -10.182 -1.181 -3.835 1.00 0.00 C ATOM 1678 CG2 VAL A 107 -8.062 -2.471 -4.046 1.00 0.00 C ATOM 0 H VAL A 107 -6.299 -0.750 -4.677 1.00 0.00 H new ATOM 0 HA VAL A 107 -8.782 -0.549 -6.022 1.00 0.00 H new ATOM 0 HB VAL A 107 -8.255 -0.590 -3.051 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -10.441 -1.814 -2.986 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -10.611 -0.189 -3.692 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -10.580 -1.620 -4.750 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -8.367 -3.061 -3.182 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -8.418 -2.952 -4.957 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -6.974 -2.403 -4.073 1.00 0.00 H new ATOM 1688 N PRO A 108 -9.552 1.898 -5.639 1.00 0.00 N ATOM 1689 CA PRO A 108 -10.008 3.241 -5.354 1.00 0.00 C ATOM 1690 C PRO A 108 -11.153 3.243 -4.340 1.00 0.00 C ATOM 1691 O PRO A 108 -12.295 2.916 -4.667 1.00 0.00 O ATOM 1692 CB PRO A 108 -10.432 3.810 -6.694 1.00 0.00 C ATOM 1693 CG PRO A 108 -10.855 2.564 -7.498 1.00 0.00 C ATOM 1694 CD PRO A 108 -10.246 1.359 -6.791 1.00 0.00 C ATOM 0 HA PRO A 108 -9.226 3.846 -4.896 1.00 0.00 H new ATOM 0 HB2 PRO A 108 -11.255 4.517 -6.587 1.00 0.00 H new ATOM 0 HB3 PRO A 108 -9.615 4.343 -7.180 1.00 0.00 H new ATOM 0 HG2 PRO A 108 -11.941 2.480 -7.539 1.00 0.00 H new ATOM 0 HG3 PRO A 108 -10.501 2.629 -8.527 1.00 0.00 H new ATOM 0 HD2 PRO A 108 -11.017 0.650 -6.489 1.00 0.00 H new ATOM 0 HD3 PRO A 108 -9.560 0.824 -7.448 1.00 0.00 H new ATOM 1702 N SER A 109 -10.858 3.702 -3.131 1.00 0.00 N ATOM 1703 CA SER A 109 -11.859 4.024 -2.125 1.00 0.00 C ATOM 1704 C SER A 109 -12.503 5.388 -2.411 1.00 0.00 C ATOM 1705 O SER A 109 -13.702 5.590 -2.194 1.00 0.00 O ATOM 1706 CB SER A 109 -11.173 4.039 -0.761 1.00 0.00 C ATOM 1707 OG SER A 109 -12.144 3.929 0.254 1.00 0.00 O ATOM 0 H SER A 109 -9.901 3.863 -2.818 1.00 0.00 H new ATOM 0 HA SER A 109 -12.652 3.276 -2.142 1.00 0.00 H new ATOM 0 HB2 SER A 109 -10.463 3.215 -0.690 1.00 0.00 H new ATOM 0 HB3 SER A 109 -10.605 4.961 -0.638 1.00 0.00 H new ATOM 0 HG SER A 109 -12.128 3.022 0.625 1.00 0.00 H new ATOM 1713 N GLY A 110 -11.707 6.336 -2.913 1.00 0.00 N ATOM 1714 CA GLY A 110 -12.101 7.719 -3.148 1.00 0.00 C ATOM 1715 C GLY A 110 -11.561 8.656 -2.057 1.00 0.00 C ATOM 1716 O GLY A 110 -11.026 8.189 -1.045 1.00 0.00 O ATOM 0 H GLY A 110 -10.739 6.151 -3.174 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -11.732 8.042 -4.121 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -13.188 7.787 -3.181 1.00 0.00 H new ATOM 1720 N PRO A 111 -11.665 9.980 -2.259 1.00 0.00 N ATOM 1721 CA PRO A 111 -10.899 10.982 -1.518 1.00 0.00 C ATOM 1722 C PRO A 111 -11.377 11.309 -0.094 1.00 0.00 C ATOM 1723 O PRO A 111 -10.730 12.132 0.555 1.00 0.00 O ATOM 1724 CB PRO A 111 -10.918 12.232 -2.407 1.00 0.00 C ATOM 1725 CG PRO A 111 -12.216 12.092 -3.192 1.00 0.00 C ATOM 1726 CD PRO A 111 -12.287 10.589 -3.425 1.00 0.00 C ATOM 0 HA PRO A 111 -9.904 10.579 -1.330 1.00 0.00 H new ATOM 0 HB2 PRO A 111 -10.905 13.146 -1.814 1.00 0.00 H new ATOM 0 HB3 PRO A 111 -10.052 12.268 -3.067 1.00 0.00 H new ATOM 0 HG2 PRO A 111 -13.074 12.458 -2.629 1.00 0.00 H new ATOM 0 HG3 PRO A 111 -12.188 12.649 -4.129 1.00 0.00 H new ATOM 0 HD2 PRO A 111 -13.320 10.258 -3.535 1.00 0.00 H new ATOM 0 HD3 PRO A 111 -11.763 10.309 -4.339 1.00 0.00 H new ATOM 1734 N SER A 112 -12.465 10.727 0.425 1.00 0.00 N ATOM 1735 CA SER A 112 -12.812 10.872 1.840 1.00 0.00 C ATOM 1736 C SER A 112 -13.180 9.516 2.434 1.00 0.00 C ATOM 1737 O SER A 112 -13.545 8.598 1.695 1.00 0.00 O ATOM 1738 CB SER A 112 -13.928 11.909 2.030 1.00 0.00 C ATOM 1739 OG SER A 112 -13.739 12.615 3.245 1.00 0.00 O ATOM 0 H SER A 112 -13.116 10.154 -0.112 1.00 0.00 H new ATOM 0 HA SER A 112 -11.941 11.244 2.380 1.00 0.00 H new ATOM 0 HB2 SER A 112 -13.933 12.607 1.193 1.00 0.00 H new ATOM 0 HB3 SER A 112 -14.898 11.413 2.037 1.00 0.00 H new ATOM 0 HG SER A 112 -14.455 13.275 3.355 1.00 0.00 H new ATOM 1745 N SER A 113 -13.063 9.388 3.753 1.00 0.00 N ATOM 1746 CA SER A 113 -13.097 8.142 4.507 1.00 0.00 C ATOM 1747 C SER A 113 -13.845 8.364 5.824 1.00 0.00 C ATOM 1748 O SER A 113 -14.168 9.505 6.161 1.00 0.00 O ATOM 1749 CB SER A 113 -11.637 7.750 4.744 1.00 0.00 C ATOM 1750 OG SER A 113 -11.463 6.472 5.323 1.00 0.00 O ATOM 0 H SER A 113 -12.935 10.199 4.357 1.00 0.00 H new ATOM 0 HA SER A 113 -13.619 7.347 3.975 1.00 0.00 H new ATOM 0 HB2 SER A 113 -11.106 7.780 3.792 1.00 0.00 H new ATOM 0 HB3 SER A 113 -11.174 8.495 5.391 1.00 0.00 H new ATOM 0 HG SER A 113 -10.507 6.294 5.441 1.00 0.00 H new ATOM 1756 N GLY A 114 -14.115 7.289 6.567 1.00 0.00 N ATOM 1757 CA GLY A 114 -14.998 7.325 7.722 1.00 0.00 C ATOM 1758 C GLY A 114 -16.415 7.634 7.281 1.00 0.00 C ATOM 1759 O GLY A 114 -17.158 8.255 8.071 1.00 0.00 O ATOM 0 H GLY A 114 -13.722 6.367 6.379 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -14.971 6.367 8.241 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -14.655 8.081 8.429 1.00 0.00 H new TER 1763 GLY A 114