USER MOD reduce.3.24.130724 H: found=0, std=0, add=886, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 878 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 92 GLN : amide:sc= 0.743 K(o=0.57,f=-1.6) USER MOD Set 1.2: A 104 HIS : no HD1:sc= -0.174 X(o=0.57,f=0.39) USER MOD Set 2.1: A 87 HIS : no HE2:sc= 0.257 K(o=2.2,f=0.15) USER MOD Set 2.2: A 91 THR OG1 : rot -104:sc= 1.26 USER MOD Set 2.3: A 93 GLN : amide:sc= 0.684 K(o=2.2,f=0.15) USER MOD Set 3.1: A 20 HIS : no HE2:sc= -1.79 K(o=-1,f=-4.3!) USER MOD Set 3.2: A 109 SER OG : rot 110:sc= 0.74 USER MOD Set 4.1: A 19 TYR OH : rot 72:sc= 0.332 USER MOD Set 4.2: A 49 TYR OH : rot 180:sc= 0.312 USER MOD Single : A 1 GLY N :NH3+ -114:sc= 0.106 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc=-0.00538 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0.00108 USER MOD Single : A 10 GLN : amide:sc= -0.0729 X(o=-0.073,f=-0.16) USER MOD Single : A 11 LYS NZ :NH3+ 176:sc= 1.21 (180deg=1.15) USER MOD Single : A 14 HIS : no HE2:sc= -0.38 K(o=-0.38,f=-1.1) USER MOD Single : A 16 GLN : amide:sc= 0.839 K(o=0.84,f=-0.55) USER MOD Single : A 34 HIS : no HD1:sc=-0.00458 X(o=-0.0046,f=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 SER OG : rot -110:sc= 0.938 USER MOD Single : A 61 HIS : no HD1:sc= -0.208 X(o=-0.21,f=-0.082) USER MOD Single : A 65 GLN : amide:sc= -2.81! C(o=-2.8!,f=-4!) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= -0.399 X(o=-0.4,f=-0.34) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot -160:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ -157:sc= 1.28 (180deg=1.19) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 SER OG : rot 140:sc= 0.229 USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD Single : A 113 SER OG : rot 154:sc= 0.511 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -19.448 9.605 -14.844 1.00 0.00 N ATOM 2 CA GLY A 1 -18.394 10.000 -13.909 1.00 0.00 C ATOM 3 C GLY A 1 -17.508 11.055 -14.534 1.00 0.00 C ATOM 4 O GLY A 1 -17.557 11.283 -15.745 1.00 0.00 O ATOM 0 H1 GLY A 1 -20.373 9.896 -14.468 1.00 0.00 H new ATOM 0 H2 GLY A 1 -19.288 10.065 -15.763 1.00 0.00 H new ATOM 0 H3 GLY A 1 -19.434 8.572 -14.967 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -18.838 10.385 -12.991 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -17.797 9.130 -13.634 1.00 0.00 H new ATOM 8 N SER A 2 -16.700 11.701 -13.700 1.00 0.00 N ATOM 9 CA SER A 2 -16.016 12.953 -14.006 1.00 0.00 C ATOM 10 C SER A 2 -14.589 12.989 -13.445 1.00 0.00 C ATOM 11 O SER A 2 -13.883 13.983 -13.632 1.00 0.00 O ATOM 12 CB SER A 2 -16.837 14.091 -13.387 1.00 0.00 C ATOM 13 OG SER A 2 -18.222 13.912 -13.624 1.00 0.00 O ATOM 0 H SER A 2 -16.496 11.357 -12.762 1.00 0.00 H new ATOM 0 HA SER A 2 -15.935 13.055 -15.088 1.00 0.00 H new ATOM 0 HB2 SER A 2 -16.652 14.134 -12.314 1.00 0.00 H new ATOM 0 HB3 SER A 2 -16.514 15.045 -13.805 1.00 0.00 H new ATOM 0 HG SER A 2 -18.722 14.650 -13.217 1.00 0.00 H new ATOM 19 N SER A 3 -14.179 11.955 -12.706 1.00 0.00 N ATOM 20 CA SER A 3 -12.858 11.854 -12.107 1.00 0.00 C ATOM 21 C SER A 3 -11.807 11.506 -13.173 1.00 0.00 C ATOM 22 O SER A 3 -12.055 11.628 -14.375 1.00 0.00 O ATOM 23 CB SER A 3 -12.925 10.841 -10.960 1.00 0.00 C ATOM 24 OG SER A 3 -13.833 11.317 -9.986 1.00 0.00 O ATOM 0 H SER A 3 -14.774 11.151 -12.507 1.00 0.00 H new ATOM 0 HA SER A 3 -12.544 12.811 -11.690 1.00 0.00 H new ATOM 0 HB2 SER A 3 -13.247 9.869 -11.333 1.00 0.00 H new ATOM 0 HB3 SER A 3 -11.937 10.703 -10.520 1.00 0.00 H new ATOM 0 HG SER A 3 -13.886 10.676 -9.247 1.00 0.00 H new ATOM 30 N GLY A 4 -10.593 11.165 -12.748 1.00 0.00 N ATOM 31 CA GLY A 4 -9.460 10.896 -13.617 1.00 0.00 C ATOM 32 C GLY A 4 -8.219 10.975 -12.757 1.00 0.00 C ATOM 33 O GLY A 4 -7.661 9.934 -12.423 1.00 0.00 O ATOM 0 H GLY A 4 -10.368 11.066 -11.758 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -9.550 9.911 -14.075 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -9.415 11.622 -14.428 1.00 0.00 H new ATOM 37 N SER A 5 -7.887 12.192 -12.309 1.00 0.00 N ATOM 38 CA SER A 5 -6.922 12.489 -11.251 1.00 0.00 C ATOM 39 C SER A 5 -5.690 11.576 -11.334 1.00 0.00 C ATOM 40 O SER A 5 -5.455 10.721 -10.483 1.00 0.00 O ATOM 41 CB SER A 5 -7.644 12.470 -9.890 1.00 0.00 C ATOM 42 OG SER A 5 -8.782 13.335 -9.935 1.00 0.00 O ATOM 0 H SER A 5 -8.307 13.037 -12.696 1.00 0.00 H new ATOM 0 HA SER A 5 -6.518 13.493 -11.382 1.00 0.00 H new ATOM 0 HB2 SER A 5 -7.957 11.454 -9.648 1.00 0.00 H new ATOM 0 HB3 SER A 5 -6.963 12.790 -9.102 1.00 0.00 H new ATOM 0 HG SER A 5 -9.240 13.319 -9.069 1.00 0.00 H new ATOM 48 N SER A 6 -4.927 11.736 -12.415 1.00 0.00 N ATOM 49 CA SER A 6 -3.716 10.966 -12.658 1.00 0.00 C ATOM 50 C SER A 6 -2.633 11.301 -11.618 1.00 0.00 C ATOM 51 O SER A 6 -2.616 12.414 -11.086 1.00 0.00 O ATOM 52 CB SER A 6 -3.213 11.311 -14.062 1.00 0.00 C ATOM 53 OG SER A 6 -4.248 11.238 -15.032 1.00 0.00 O ATOM 0 H SER A 6 -5.137 12.411 -13.151 1.00 0.00 H new ATOM 0 HA SER A 6 -3.936 9.901 -12.577 1.00 0.00 H new ATOM 0 HB2 SER A 6 -2.790 12.315 -14.059 1.00 0.00 H new ATOM 0 HB3 SER A 6 -2.410 10.628 -14.337 1.00 0.00 H new ATOM 0 HG SER A 6 -3.887 11.467 -15.914 1.00 0.00 H new ATOM 59 N GLY A 7 -1.674 10.387 -11.424 1.00 0.00 N ATOM 60 CA GLY A 7 -0.462 10.536 -10.618 1.00 0.00 C ATOM 61 C GLY A 7 -0.683 11.314 -9.324 1.00 0.00 C ATOM 62 O GLY A 7 -0.162 12.421 -9.170 1.00 0.00 O ATOM 0 H GLY A 7 -1.731 9.464 -11.855 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -0.072 9.547 -10.376 1.00 0.00 H new ATOM 0 HA3 GLY A 7 0.299 11.042 -11.211 1.00 0.00 H new ATOM 66 N GLU A 8 -1.434 10.746 -8.383 1.00 0.00 N ATOM 67 CA GLU A 8 -1.715 11.351 -7.078 1.00 0.00 C ATOM 68 C GLU A 8 -0.585 11.084 -6.064 1.00 0.00 C ATOM 69 O GLU A 8 -0.797 11.186 -4.863 1.00 0.00 O ATOM 70 CB GLU A 8 -3.110 10.914 -6.584 1.00 0.00 C ATOM 71 CG GLU A 8 -4.192 11.552 -7.472 1.00 0.00 C ATOM 72 CD GLU A 8 -5.619 11.262 -7.001 1.00 0.00 C ATOM 73 OE1 GLU A 8 -6.235 10.260 -7.441 1.00 0.00 O ATOM 74 OE2 GLU A 8 -6.157 12.068 -6.213 1.00 0.00 O ATOM 0 H GLU A 8 -1.874 9.834 -8.506 1.00 0.00 H new ATOM 0 HA GLU A 8 -1.741 12.435 -7.187 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -3.194 9.828 -6.614 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -3.251 11.216 -5.546 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -4.039 12.631 -7.499 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -4.074 11.188 -8.493 1.00 0.00 H new ATOM 81 N VAL A 9 0.626 10.752 -6.520 1.00 0.00 N ATOM 82 CA VAL A 9 1.798 10.445 -5.713 1.00 0.00 C ATOM 83 C VAL A 9 2.064 11.558 -4.704 1.00 0.00 C ATOM 84 O VAL A 9 2.221 11.286 -3.521 1.00 0.00 O ATOM 85 CB VAL A 9 3.020 10.257 -6.644 1.00 0.00 C ATOM 86 CG1 VAL A 9 4.253 9.747 -5.896 1.00 0.00 C ATOM 87 CG2 VAL A 9 2.732 9.291 -7.797 1.00 0.00 C ATOM 0 H VAL A 9 0.820 10.688 -7.519 1.00 0.00 H new ATOM 0 HA VAL A 9 1.620 9.525 -5.157 1.00 0.00 H new ATOM 0 HB VAL A 9 3.222 11.251 -7.042 1.00 0.00 H new ATOM 0 HG11 VAL A 9 5.081 9.633 -6.595 1.00 0.00 H new ATOM 0 HG12 VAL A 9 4.529 10.461 -5.120 1.00 0.00 H new ATOM 0 HG13 VAL A 9 4.028 8.783 -5.439 1.00 0.00 H new ATOM 0 HG21 VAL A 9 3.621 9.194 -8.421 1.00 0.00 H new ATOM 0 HG22 VAL A 9 2.462 8.315 -7.395 1.00 0.00 H new ATOM 0 HG23 VAL A 9 1.908 9.676 -8.397 1.00 0.00 H new ATOM 97 N GLN A 10 2.203 12.795 -5.188 1.00 0.00 N ATOM 98 CA GLN A 10 2.758 13.904 -4.426 1.00 0.00 C ATOM 99 C GLN A 10 1.730 14.522 -3.473 1.00 0.00 C ATOM 100 O GLN A 10 2.097 15.320 -2.595 1.00 0.00 O ATOM 101 CB GLN A 10 3.314 14.957 -5.400 1.00 0.00 C ATOM 102 CG GLN A 10 4.389 14.390 -6.344 1.00 0.00 C ATOM 103 CD GLN A 10 5.566 13.756 -5.595 1.00 0.00 C ATOM 104 OE1 GLN A 10 6.021 14.276 -4.576 1.00 0.00 O ATOM 105 NE2 GLN A 10 6.055 12.621 -6.063 1.00 0.00 N ATOM 0 H GLN A 10 1.927 13.053 -6.136 1.00 0.00 H new ATOM 0 HA GLN A 10 3.566 13.523 -3.801 1.00 0.00 H new ATOM 0 HB2 GLN A 10 2.495 15.365 -5.993 1.00 0.00 H new ATOM 0 HB3 GLN A 10 3.737 15.784 -4.830 1.00 0.00 H new ATOM 0 HG2 GLN A 10 3.936 13.644 -6.996 1.00 0.00 H new ATOM 0 HG3 GLN A 10 4.761 15.189 -6.985 1.00 0.00 H new ATOM 0 HE21 GLN A 10 5.663 12.207 -6.909 1.00 0.00 H new ATOM 0 HE22 GLN A 10 6.824 12.159 -5.578 1.00 0.00 H new ATOM 114 N LYS A 11 0.454 14.159 -3.636 1.00 0.00 N ATOM 115 CA LYS A 11 -0.608 14.462 -2.682 1.00 0.00 C ATOM 116 C LYS A 11 -0.272 13.872 -1.307 1.00 0.00 C ATOM 117 O LYS A 11 0.533 12.942 -1.212 1.00 0.00 O ATOM 118 CB LYS A 11 -1.950 13.908 -3.192 1.00 0.00 C ATOM 119 CG LYS A 11 -2.520 14.738 -4.350 1.00 0.00 C ATOM 120 CD LYS A 11 -4.014 14.452 -4.531 1.00 0.00 C ATOM 121 CE LYS A 11 -4.642 15.515 -5.436 1.00 0.00 C ATOM 122 NZ LYS A 11 -6.034 15.800 -5.043 1.00 0.00 N ATOM 0 H LYS A 11 0.128 13.637 -4.450 1.00 0.00 H new ATOM 0 HA LYS A 11 -0.693 15.544 -2.581 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -1.814 12.877 -3.519 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -2.668 13.890 -2.372 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -2.368 15.799 -4.154 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -1.985 14.504 -5.270 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -4.154 13.463 -4.966 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -4.512 14.447 -3.562 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -4.053 16.431 -5.387 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -4.617 15.175 -6.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -6.410 16.571 -5.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -6.614 14.948 -5.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -6.061 16.082 -4.042 1.00 0.00 H new ATOM 136 N PRO A 12 -0.897 14.367 -0.226 1.00 0.00 N ATOM 137 CA PRO A 12 -0.678 13.797 1.090 1.00 0.00 C ATOM 138 C PRO A 12 -1.234 12.384 1.121 1.00 0.00 C ATOM 139 O PRO A 12 -2.073 12.009 0.298 1.00 0.00 O ATOM 140 CB PRO A 12 -1.425 14.694 2.073 1.00 0.00 C ATOM 141 CG PRO A 12 -2.509 15.344 1.221 1.00 0.00 C ATOM 142 CD PRO A 12 -1.869 15.446 -0.162 1.00 0.00 C ATOM 0 HA PRO A 12 0.380 13.744 1.345 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -1.853 14.119 2.894 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -0.764 15.439 2.516 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -3.417 14.741 1.199 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -2.787 16.325 1.607 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -2.617 15.346 -0.948 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -1.389 16.415 -0.301 1.00 0.00 H new ATOM 150 N LEU A 13 -0.840 11.621 2.140 1.00 0.00 N ATOM 151 CA LEU A 13 -1.444 10.321 2.399 1.00 0.00 C ATOM 152 C LEU A 13 -2.952 10.469 2.601 1.00 0.00 C ATOM 153 O LEU A 13 -3.716 9.622 2.151 1.00 0.00 O ATOM 154 CB LEU A 13 -0.732 9.653 3.580 1.00 0.00 C ATOM 155 CG LEU A 13 -1.112 8.166 3.764 1.00 0.00 C ATOM 156 CD1 LEU A 13 0.030 7.415 4.440 1.00 0.00 C ATOM 157 CD2 LEU A 13 -2.323 7.921 4.658 1.00 0.00 C ATOM 0 H LEU A 13 -0.106 11.883 2.797 1.00 0.00 H new ATOM 0 HA LEU A 13 -1.317 9.664 1.538 1.00 0.00 H new ATOM 0 HB2 LEU A 13 0.346 9.730 3.436 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -0.971 10.197 4.494 1.00 0.00 H new ATOM 0 HG LEU A 13 -1.335 7.823 2.754 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -0.247 6.368 4.565 1.00 0.00 H new ATOM 0 HD12 LEU A 13 0.926 7.482 3.822 1.00 0.00 H new ATOM 0 HD13 LEU A 13 0.229 7.857 5.416 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -2.513 6.850 4.728 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -2.127 8.320 5.653 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -3.195 8.417 4.233 1.00 0.00 H new ATOM 169 N HIS A 14 -3.392 11.565 3.227 1.00 0.00 N ATOM 170 CA HIS A 14 -4.791 11.729 3.589 1.00 0.00 C ATOM 171 C HIS A 14 -5.707 12.109 2.403 1.00 0.00 C ATOM 172 O HIS A 14 -6.899 12.328 2.605 1.00 0.00 O ATOM 173 CB HIS A 14 -4.904 12.717 4.759 1.00 0.00 C ATOM 174 CG HIS A 14 -4.752 14.164 4.375 1.00 0.00 C ATOM 175 ND1 HIS A 14 -5.677 14.901 3.680 1.00 0.00 N ATOM 176 CD2 HIS A 14 -3.724 14.998 4.713 1.00 0.00 C ATOM 177 CE1 HIS A 14 -5.218 16.153 3.583 1.00 0.00 C ATOM 178 NE2 HIS A 14 -4.027 16.271 4.207 1.00 0.00 N ATOM 0 H HIS A 14 -2.794 12.348 3.491 1.00 0.00 H new ATOM 0 HA HIS A 14 -5.162 10.755 3.908 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -5.873 12.582 5.239 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -4.144 12.470 5.501 1.00 0.00 H new ATOM 0 HD1 HIS A 14 -6.560 14.555 3.304 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -2.839 14.727 5.269 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -5.729 16.958 3.076 1.00 0.00 H new ATOM 186 N GLU A 15 -5.181 12.231 1.178 1.00 0.00 N ATOM 187 CA GLU A 15 -5.987 12.386 -0.043 1.00 0.00 C ATOM 188 C GLU A 15 -5.868 11.146 -0.937 1.00 0.00 C ATOM 189 O GLU A 15 -6.396 11.137 -2.049 1.00 0.00 O ATOM 190 CB GLU A 15 -5.605 13.664 -0.819 1.00 0.00 C ATOM 191 CG GLU A 15 -6.129 14.964 -0.188 1.00 0.00 C ATOM 192 CD GLU A 15 -6.612 15.976 -1.238 1.00 0.00 C ATOM 193 OE1 GLU A 15 -5.937 16.216 -2.265 1.00 0.00 O ATOM 194 OE2 GLU A 15 -7.735 16.512 -1.076 1.00 0.00 O ATOM 0 H GLU A 15 -4.176 12.225 1.003 1.00 0.00 H new ATOM 0 HA GLU A 15 -7.028 12.488 0.262 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -4.519 13.721 -0.892 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -5.989 13.586 -1.836 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -6.950 14.730 0.490 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -5.339 15.417 0.412 1.00 0.00 H new ATOM 201 N GLN A 16 -5.149 10.110 -0.493 1.00 0.00 N ATOM 202 CA GLN A 16 -4.957 8.927 -1.309 1.00 0.00 C ATOM 203 C GLN A 16 -6.255 8.138 -1.424 1.00 0.00 C ATOM 204 O GLN A 16 -7.195 8.284 -0.640 1.00 0.00 O ATOM 205 CB GLN A 16 -3.824 8.049 -0.761 1.00 0.00 C ATOM 206 CG GLN A 16 -2.482 8.778 -0.777 1.00 0.00 C ATOM 207 CD GLN A 16 -2.008 9.188 -2.168 1.00 0.00 C ATOM 208 OE1 GLN A 16 -2.200 8.472 -3.149 1.00 0.00 O ATOM 209 NE2 GLN A 16 -1.363 10.335 -2.270 1.00 0.00 N ATOM 0 H GLN A 16 -4.697 10.075 0.421 1.00 0.00 H new ATOM 0 HA GLN A 16 -4.666 9.251 -2.308 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -4.060 7.745 0.259 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -3.750 7.138 -1.356 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -2.558 9.669 -0.154 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -1.727 8.136 -0.323 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -1.216 10.913 -1.442 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -1.012 10.644 -3.177 1.00 0.00 H new ATOM 218 N LEU A 17 -6.252 7.287 -2.439 1.00 0.00 N ATOM 219 CA LEU A 17 -7.371 6.543 -2.976 1.00 0.00 C ATOM 220 C LEU A 17 -7.317 5.143 -2.389 1.00 0.00 C ATOM 221 O LEU A 17 -8.295 4.674 -1.826 1.00 0.00 O ATOM 222 CB LEU A 17 -7.313 6.528 -4.522 1.00 0.00 C ATOM 223 CG LEU A 17 -5.915 6.369 -5.162 1.00 0.00 C ATOM 224 CD1 LEU A 17 -6.015 5.659 -6.509 1.00 0.00 C ATOM 225 CD2 LEU A 17 -5.193 7.709 -5.352 1.00 0.00 C ATOM 0 H LEU A 17 -5.391 7.085 -2.948 1.00 0.00 H new ATOM 0 HA LEU A 17 -8.318 7.010 -2.705 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -7.945 5.715 -4.878 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -7.751 7.456 -4.888 1.00 0.00 H new ATOM 0 HG LEU A 17 -5.329 5.769 -4.466 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -5.020 5.558 -6.942 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -6.452 4.670 -6.368 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -6.645 6.241 -7.181 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -4.217 7.535 -5.805 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -5.786 8.353 -6.002 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -5.063 8.193 -4.384 1.00 0.00 H new ATOM 237 N TRP A 18 -6.152 4.502 -2.464 1.00 0.00 N ATOM 238 CA TRP A 18 -5.860 3.224 -1.839 1.00 0.00 C ATOM 239 C TRP A 18 -5.760 3.320 -0.320 1.00 0.00 C ATOM 240 O TRP A 18 -5.549 2.301 0.338 1.00 0.00 O ATOM 241 CB TRP A 18 -4.573 2.677 -2.464 1.00 0.00 C ATOM 242 CG TRP A 18 -3.449 3.658 -2.644 1.00 0.00 C ATOM 243 CD1 TRP A 18 -3.031 4.183 -3.821 1.00 0.00 C ATOM 244 CD2 TRP A 18 -2.601 4.261 -1.620 1.00 0.00 C ATOM 245 NE1 TRP A 18 -1.980 5.045 -3.598 1.00 0.00 N ATOM 246 CE2 TRP A 18 -1.663 5.111 -2.264 1.00 0.00 C ATOM 247 CE3 TRP A 18 -2.529 4.195 -0.213 1.00 0.00 C ATOM 248 CZ2 TRP A 18 -0.690 5.819 -1.560 1.00 0.00 C ATOM 249 CZ3 TRP A 18 -1.579 4.934 0.517 1.00 0.00 C ATOM 250 CH2 TRP A 18 -0.638 5.728 -0.158 1.00 0.00 C ATOM 0 H TRP A 18 -5.358 4.878 -2.983 1.00 0.00 H new ATOM 0 HA TRP A 18 -6.686 2.537 -2.024 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -4.214 1.856 -1.844 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -4.819 2.256 -3.439 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -3.457 3.959 -4.788 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -1.499 5.567 -4.330 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -3.222 3.560 0.319 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 0.021 6.435 -2.090 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -1.574 4.890 1.596 1.00 0.00 H new ATOM 0 HH2 TRP A 18 0.119 6.264 0.395 1.00 0.00 H new ATOM 261 N TYR A 19 -5.853 4.515 0.259 1.00 0.00 N ATOM 262 CA TYR A 19 -5.921 4.682 1.702 1.00 0.00 C ATOM 263 C TYR A 19 -7.370 4.496 2.168 1.00 0.00 C ATOM 264 O TYR A 19 -8.136 5.452 2.205 1.00 0.00 O ATOM 265 CB TYR A 19 -5.333 6.039 2.101 1.00 0.00 C ATOM 266 CG TYR A 19 -5.341 6.292 3.596 1.00 0.00 C ATOM 267 CD1 TYR A 19 -4.890 5.301 4.489 1.00 0.00 C ATOM 268 CD2 TYR A 19 -5.814 7.519 4.098 1.00 0.00 C ATOM 269 CE1 TYR A 19 -4.909 5.535 5.872 1.00 0.00 C ATOM 270 CE2 TYR A 19 -5.841 7.758 5.483 1.00 0.00 C ATOM 271 CZ TYR A 19 -5.372 6.771 6.380 1.00 0.00 C ATOM 272 OH TYR A 19 -5.369 7.007 7.723 1.00 0.00 O ATOM 0 H TYR A 19 -5.883 5.392 -0.262 1.00 0.00 H new ATOM 0 HA TYR A 19 -5.320 3.923 2.202 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -4.308 6.102 1.736 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -5.897 6.829 1.605 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -4.528 4.358 4.108 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -6.158 8.281 3.415 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -4.569 4.768 6.552 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -6.220 8.696 5.862 1.00 0.00 H new ATOM 0 HH TYR A 19 -4.447 7.126 8.032 1.00 0.00 H new ATOM 282 N HIS A 20 -7.760 3.268 2.522 1.00 0.00 N ATOM 283 CA HIS A 20 -9.115 2.968 3.014 1.00 0.00 C ATOM 284 C HIS A 20 -9.272 3.318 4.516 1.00 0.00 C ATOM 285 O HIS A 20 -10.275 2.965 5.139 1.00 0.00 O ATOM 286 CB HIS A 20 -9.512 1.511 2.701 1.00 0.00 C ATOM 287 CG HIS A 20 -9.746 1.189 1.250 1.00 0.00 C ATOM 288 ND1 HIS A 20 -10.910 0.714 0.684 1.00 0.00 N ATOM 289 CD2 HIS A 20 -8.798 1.209 0.269 1.00 0.00 C ATOM 290 CE1 HIS A 20 -10.649 0.445 -0.604 1.00 0.00 C ATOM 291 NE2 HIS A 20 -9.366 0.703 -0.893 1.00 0.00 N ATOM 0 H HIS A 20 -7.149 2.452 2.477 1.00 0.00 H new ATOM 0 HA HIS A 20 -9.814 3.609 2.477 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -8.729 0.853 3.077 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -10.420 1.275 3.256 1.00 0.00 H new ATOM 0 HD1 HIS A 20 -11.805 0.590 1.157 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -7.782 1.558 0.377 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -11.374 0.071 -1.312 1.00 0.00 H new ATOM 299 N GLY A 21 -8.288 3.989 5.127 1.00 0.00 N ATOM 300 CA GLY A 21 -8.274 4.456 6.493 1.00 0.00 C ATOM 301 C GLY A 21 -7.771 3.331 7.373 1.00 0.00 C ATOM 302 O GLY A 21 -6.626 2.915 7.246 1.00 0.00 O ATOM 0 H GLY A 21 -7.428 4.230 4.635 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -7.630 5.330 6.589 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -9.274 4.761 6.801 1.00 0.00 H new ATOM 306 N ALA A 22 -8.642 2.802 8.218 1.00 0.00 N ATOM 307 CA ALA A 22 -8.430 1.791 9.239 1.00 0.00 C ATOM 308 C ALA A 22 -9.405 0.639 9.018 1.00 0.00 C ATOM 309 O ALA A 22 -10.575 0.746 9.395 1.00 0.00 O ATOM 310 CB ALA A 22 -8.602 2.429 10.621 1.00 0.00 C ATOM 0 H ALA A 22 -9.616 3.103 8.203 1.00 0.00 H new ATOM 0 HA ALA A 22 -7.419 1.388 9.178 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -8.444 1.675 11.392 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -7.875 3.232 10.744 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -9.610 2.835 10.711 1.00 0.00 H new ATOM 316 N ILE A 23 -8.943 -0.440 8.381 1.00 0.00 N ATOM 317 CA ILE A 23 -9.784 -1.550 7.927 1.00 0.00 C ATOM 318 C ILE A 23 -9.144 -2.886 8.372 1.00 0.00 C ATOM 319 O ILE A 23 -7.912 -2.998 8.381 1.00 0.00 O ATOM 320 CB ILE A 23 -10.102 -1.456 6.396 1.00 0.00 C ATOM 321 CG1 ILE A 23 -9.683 -2.713 5.599 1.00 0.00 C ATOM 322 CG2 ILE A 23 -9.543 -0.213 5.689 1.00 0.00 C ATOM 323 CD1 ILE A 23 -10.145 -2.762 4.148 1.00 0.00 C ATOM 0 H ILE A 23 -7.955 -0.569 8.162 1.00 0.00 H new ATOM 0 HA ILE A 23 -10.764 -1.493 8.401 1.00 0.00 H new ATOM 0 HB ILE A 23 -11.189 -1.374 6.394 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -8.596 -2.786 5.617 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -10.070 -3.592 6.114 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -9.816 -0.241 4.634 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -9.958 0.684 6.148 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -8.457 -0.199 5.782 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -9.796 -3.685 3.686 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -11.234 -2.727 4.111 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -9.736 -1.908 3.607 1.00 0.00 H new ATOM 335 N PRO A 24 -9.943 -3.921 8.692 1.00 0.00 N ATOM 336 CA PRO A 24 -9.463 -5.252 9.061 1.00 0.00 C ATOM 337 C PRO A 24 -9.023 -6.111 7.867 1.00 0.00 C ATOM 338 O PRO A 24 -9.486 -5.936 6.740 1.00 0.00 O ATOM 339 CB PRO A 24 -10.667 -5.917 9.733 1.00 0.00 C ATOM 340 CG PRO A 24 -11.866 -5.281 9.039 1.00 0.00 C ATOM 341 CD PRO A 24 -11.399 -3.869 8.720 1.00 0.00 C ATOM 0 HA PRO A 24 -8.579 -5.163 9.692 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -10.654 -6.999 9.598 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -10.680 -5.730 10.807 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -12.139 -5.825 8.135 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -12.744 -5.275 9.685 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -11.795 -3.535 7.761 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -11.749 -3.163 9.473 1.00 0.00 H new ATOM 349 N ARG A 25 -8.233 -7.161 8.135 1.00 0.00 N ATOM 350 CA ARG A 25 -7.827 -8.147 7.128 1.00 0.00 C ATOM 351 C ARG A 25 -9.025 -8.772 6.413 1.00 0.00 C ATOM 352 O ARG A 25 -8.928 -9.092 5.232 1.00 0.00 O ATOM 353 CB ARG A 25 -6.934 -9.242 7.752 1.00 0.00 C ATOM 354 CG ARG A 25 -7.703 -10.283 8.587 1.00 0.00 C ATOM 355 CD ARG A 25 -6.792 -11.329 9.233 1.00 0.00 C ATOM 356 NE ARG A 25 -5.908 -10.794 10.279 1.00 0.00 N ATOM 357 CZ ARG A 25 -6.220 -10.267 11.468 1.00 0.00 C ATOM 358 NH1 ARG A 25 -7.484 -10.056 11.818 1.00 0.00 N ATOM 359 NH2 ARG A 25 -5.242 -9.971 12.311 1.00 0.00 N ATOM 0 H ARG A 25 -7.856 -7.349 9.064 1.00 0.00 H new ATOM 0 HA ARG A 25 -7.246 -7.610 6.378 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -6.398 -9.756 6.954 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -6.184 -8.767 8.385 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -8.266 -9.770 9.367 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -8.429 -10.787 7.949 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -7.410 -12.117 9.663 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -6.181 -11.791 8.458 1.00 0.00 H new ATOM 0 HE ARG A 25 -4.911 -10.830 10.067 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -8.238 -10.297 11.175 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -7.700 -9.653 12.730 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -4.272 -10.146 12.048 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -5.459 -9.568 13.223 1.00 0.00 H new ATOM 373 N ALA A 26 -10.131 -8.993 7.124 1.00 0.00 N ATOM 374 CA ALA A 26 -11.280 -9.707 6.594 1.00 0.00 C ATOM 375 C ALA A 26 -12.147 -8.822 5.694 1.00 0.00 C ATOM 376 O ALA A 26 -13.124 -9.310 5.141 1.00 0.00 O ATOM 377 CB ALA A 26 -12.081 -10.287 7.757 1.00 0.00 C ATOM 0 H ALA A 26 -10.250 -8.678 8.087 1.00 0.00 H new ATOM 0 HA ALA A 26 -10.926 -10.519 5.959 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -12.946 -10.825 7.370 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -11.452 -10.972 8.326 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -12.417 -9.479 8.406 1.00 0.00 H new ATOM 383 N GLU A 27 -11.798 -7.550 5.510 1.00 0.00 N ATOM 384 CA GLU A 27 -12.417 -6.685 4.507 1.00 0.00 C ATOM 385 C GLU A 27 -11.549 -6.594 3.250 1.00 0.00 C ATOM 386 O GLU A 27 -12.079 -6.476 2.159 1.00 0.00 O ATOM 387 CB GLU A 27 -12.631 -5.307 5.134 1.00 0.00 C ATOM 388 CG GLU A 27 -13.862 -5.296 6.042 1.00 0.00 C ATOM 389 CD GLU A 27 -15.174 -5.200 5.275 1.00 0.00 C ATOM 390 OE1 GLU A 27 -15.516 -4.082 4.823 1.00 0.00 O ATOM 391 OE2 GLU A 27 -15.957 -6.176 5.297 1.00 0.00 O ATOM 0 H GLU A 27 -11.072 -7.087 6.057 1.00 0.00 H new ATOM 0 HA GLU A 27 -13.376 -7.101 4.197 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -11.749 -5.026 5.710 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -12.749 -4.561 4.348 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -13.868 -6.203 6.646 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -13.789 -4.455 6.731 1.00 0.00 H new ATOM 398 N VAL A 28 -10.229 -6.733 3.369 1.00 0.00 N ATOM 399 CA VAL A 28 -9.268 -6.687 2.274 1.00 0.00 C ATOM 400 C VAL A 28 -9.744 -7.509 1.071 1.00 0.00 C ATOM 401 O VAL A 28 -9.909 -6.936 0.004 1.00 0.00 O ATOM 402 CB VAL A 28 -7.872 -7.124 2.768 1.00 0.00 C ATOM 403 CG1 VAL A 28 -6.851 -7.154 1.634 1.00 0.00 C ATOM 404 CG2 VAL A 28 -7.326 -6.198 3.865 1.00 0.00 C ATOM 0 H VAL A 28 -9.783 -6.888 4.273 1.00 0.00 H new ATOM 0 HA VAL A 28 -9.188 -5.657 1.927 1.00 0.00 H new ATOM 0 HB VAL A 28 -8.011 -8.127 3.172 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -5.883 -7.466 2.025 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -7.178 -7.858 0.869 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -6.762 -6.159 1.198 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -6.342 -6.547 4.179 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -7.244 -5.183 3.477 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -8.004 -6.206 4.719 1.00 0.00 H new ATOM 414 N ALA A 29 -9.910 -8.829 1.194 1.00 0.00 N ATOM 415 CA ALA A 29 -10.143 -9.692 0.026 1.00 0.00 C ATOM 416 C ALA A 29 -11.492 -9.451 -0.666 1.00 0.00 C ATOM 417 O ALA A 29 -11.712 -9.941 -1.768 1.00 0.00 O ATOM 418 CB ALA A 29 -10.064 -11.160 0.415 1.00 0.00 C ATOM 0 H ALA A 29 -9.888 -9.324 2.085 1.00 0.00 H new ATOM 0 HA ALA A 29 -9.355 -9.431 -0.680 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -10.240 -11.779 -0.465 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -9.075 -11.376 0.820 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -10.820 -11.378 1.169 1.00 0.00 H new ATOM 424 N GLU A 30 -12.403 -8.747 -0.005 1.00 0.00 N ATOM 425 CA GLU A 30 -13.633 -8.241 -0.588 1.00 0.00 C ATOM 426 C GLU A 30 -13.331 -7.056 -1.517 1.00 0.00 C ATOM 427 O GLU A 30 -14.051 -6.850 -2.489 1.00 0.00 O ATOM 428 CB GLU A 30 -14.586 -7.898 0.578 1.00 0.00 C ATOM 429 CG GLU A 30 -15.675 -6.842 0.344 1.00 0.00 C ATOM 430 CD GLU A 30 -16.871 -7.412 -0.408 1.00 0.00 C ATOM 431 OE1 GLU A 30 -17.506 -8.361 0.116 1.00 0.00 O ATOM 432 OE2 GLU A 30 -17.243 -6.900 -1.491 1.00 0.00 O ATOM 0 H GLU A 30 -12.300 -8.507 0.981 1.00 0.00 H new ATOM 0 HA GLU A 30 -14.122 -8.981 -1.221 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -15.079 -8.820 0.886 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -13.976 -7.566 1.418 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -16.006 -6.444 1.303 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -15.256 -6.008 -0.220 1.00 0.00 H new ATOM 439 N LEU A 31 -12.306 -6.252 -1.226 1.00 0.00 N ATOM 440 CA LEU A 31 -11.953 -5.061 -1.989 1.00 0.00 C ATOM 441 C LEU A 31 -11.010 -5.434 -3.124 1.00 0.00 C ATOM 442 O LEU A 31 -11.136 -4.912 -4.236 1.00 0.00 O ATOM 443 CB LEU A 31 -11.251 -4.043 -1.076 1.00 0.00 C ATOM 444 CG LEU A 31 -12.066 -3.659 0.182 1.00 0.00 C ATOM 445 CD1 LEU A 31 -11.213 -2.796 1.091 1.00 0.00 C ATOM 446 CD2 LEU A 31 -13.320 -2.856 -0.171 1.00 0.00 C ATOM 0 H LEU A 31 -11.686 -6.418 -0.433 1.00 0.00 H new ATOM 0 HA LEU A 31 -12.865 -4.624 -2.395 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -10.291 -4.453 -0.763 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -11.041 -3.140 -1.650 1.00 0.00 H new ATOM 0 HG LEU A 31 -12.362 -4.588 0.670 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -11.786 -2.525 1.978 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -10.323 -3.350 1.389 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -10.916 -1.892 0.560 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -13.862 -2.608 0.742 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -13.032 -1.938 -0.683 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -13.961 -3.450 -0.823 1.00 0.00 H new ATOM 458 N LEU A 32 -10.020 -6.277 -2.816 1.00 0.00 N ATOM 459 CA LEU A 32 -9.023 -6.739 -3.760 1.00 0.00 C ATOM 460 C LEU A 32 -9.651 -7.872 -4.559 1.00 0.00 C ATOM 461 O LEU A 32 -10.152 -8.825 -3.970 1.00 0.00 O ATOM 462 CB LEU A 32 -7.752 -7.264 -3.065 1.00 0.00 C ATOM 463 CG LEU A 32 -7.205 -6.473 -1.861 1.00 0.00 C ATOM 464 CD1 LEU A 32 -5.861 -7.049 -1.441 1.00 0.00 C ATOM 465 CD2 LEU A 32 -7.062 -4.972 -2.084 1.00 0.00 C ATOM 0 H LEU A 32 -9.895 -6.660 -1.879 1.00 0.00 H new ATOM 0 HA LEU A 32 -8.722 -5.903 -4.391 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -7.950 -8.283 -2.733 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -6.962 -7.321 -3.814 1.00 0.00 H new ATOM 0 HG LEU A 32 -7.954 -6.585 -1.077 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -5.475 -6.489 -0.589 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -5.985 -8.095 -1.161 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -5.159 -6.976 -2.271 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -6.670 -4.506 -1.180 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -6.377 -4.791 -2.912 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -8.037 -4.545 -2.320 1.00 0.00 H new ATOM 477 N VAL A 33 -9.585 -7.801 -5.880 1.00 0.00 N ATOM 478 CA VAL A 33 -10.231 -8.738 -6.786 1.00 0.00 C ATOM 479 C VAL A 33 -9.202 -9.335 -7.736 1.00 0.00 C ATOM 480 O VAL A 33 -9.250 -10.540 -8.014 1.00 0.00 O ATOM 481 CB VAL A 33 -11.362 -7.967 -7.509 1.00 0.00 C ATOM 482 CG1 VAL A 33 -11.956 -8.694 -8.720 1.00 0.00 C ATOM 483 CG2 VAL A 33 -12.490 -7.625 -6.522 1.00 0.00 C ATOM 0 H VAL A 33 -9.066 -7.069 -6.365 1.00 0.00 H new ATOM 0 HA VAL A 33 -10.670 -9.584 -6.258 1.00 0.00 H new ATOM 0 HB VAL A 33 -10.891 -7.062 -7.893 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -12.740 -8.081 -9.164 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -11.173 -8.872 -9.458 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -12.377 -9.647 -8.401 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -13.278 -7.083 -7.044 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -12.898 -8.545 -6.103 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -12.094 -7.004 -5.718 1.00 0.00 H new ATOM 493 N HIS A 34 -8.276 -8.522 -8.239 1.00 0.00 N ATOM 494 CA HIS A 34 -7.277 -8.967 -9.194 1.00 0.00 C ATOM 495 C HIS A 34 -5.947 -9.162 -8.471 1.00 0.00 C ATOM 496 O HIS A 34 -5.712 -8.593 -7.401 1.00 0.00 O ATOM 497 CB HIS A 34 -7.141 -7.947 -10.318 1.00 0.00 C ATOM 498 CG HIS A 34 -8.451 -7.403 -10.852 1.00 0.00 C ATOM 499 ND1 HIS A 34 -9.203 -7.922 -11.883 1.00 0.00 N ATOM 500 CD2 HIS A 34 -9.104 -6.288 -10.395 1.00 0.00 C ATOM 501 CE1 HIS A 34 -10.262 -7.112 -12.066 1.00 0.00 C ATOM 502 NE2 HIS A 34 -10.228 -6.081 -11.202 1.00 0.00 N ATOM 0 H HIS A 34 -8.201 -7.535 -7.992 1.00 0.00 H new ATOM 0 HA HIS A 34 -7.582 -9.916 -9.635 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -6.538 -7.113 -9.960 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -6.593 -8.407 -11.141 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -8.803 -5.676 -9.558 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -11.034 -7.268 -12.805 1.00 0.00 H new ATOM 0 HE2 HIS A 34 -10.888 -5.305 -11.147 1.00 0.00 H new ATOM 510 N SER A 35 -5.060 -9.963 -9.057 1.00 0.00 N ATOM 511 CA SER A 35 -3.768 -10.272 -8.470 1.00 0.00 C ATOM 512 C SER A 35 -2.836 -9.073 -8.681 1.00 0.00 C ATOM 513 O SER A 35 -2.189 -8.951 -9.723 1.00 0.00 O ATOM 514 CB SER A 35 -3.191 -11.557 -9.078 1.00 0.00 C ATOM 515 OG SER A 35 -4.183 -12.539 -9.374 1.00 0.00 O ATOM 0 H SER A 35 -5.223 -10.416 -9.956 1.00 0.00 H new ATOM 0 HA SER A 35 -3.876 -10.451 -7.400 1.00 0.00 H new ATOM 0 HB2 SER A 35 -2.653 -11.308 -9.993 1.00 0.00 H new ATOM 0 HB3 SER A 35 -2.464 -11.983 -8.386 1.00 0.00 H new ATOM 0 HG SER A 35 -3.754 -13.331 -9.759 1.00 0.00 H new ATOM 521 N GLY A 36 -2.834 -8.132 -7.747 1.00 0.00 N ATOM 522 CA GLY A 36 -2.158 -6.853 -7.900 1.00 0.00 C ATOM 523 C GLY A 36 -2.834 -5.735 -7.143 1.00 0.00 C ATOM 524 O GLY A 36 -2.197 -4.720 -6.871 1.00 0.00 O ATOM 0 H GLY A 36 -3.308 -8.238 -6.850 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -1.129 -6.948 -7.554 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -2.116 -6.595 -8.958 1.00 0.00 H new ATOM 528 N ASP A 37 -4.114 -5.917 -6.833 1.00 0.00 N ATOM 529 CA ASP A 37 -4.912 -4.980 -6.070 1.00 0.00 C ATOM 530 C ASP A 37 -4.267 -4.864 -4.694 1.00 0.00 C ATOM 531 O ASP A 37 -4.049 -5.888 -4.043 1.00 0.00 O ATOM 532 CB ASP A 37 -6.355 -5.494 -5.983 1.00 0.00 C ATOM 533 CG ASP A 37 -7.161 -5.375 -7.284 1.00 0.00 C ATOM 534 OD1 ASP A 37 -6.608 -5.075 -8.370 1.00 0.00 O ATOM 535 OD2 ASP A 37 -8.374 -5.669 -7.201 1.00 0.00 O ATOM 0 H ASP A 37 -4.634 -6.747 -7.117 1.00 0.00 H new ATOM 0 HA ASP A 37 -4.949 -3.997 -6.539 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -6.335 -6.541 -5.679 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -6.875 -4.944 -5.199 1.00 0.00 H new ATOM 540 N PHE A 38 -3.976 -3.643 -4.240 1.00 0.00 N ATOM 541 CA PHE A 38 -3.508 -3.322 -2.900 1.00 0.00 C ATOM 542 C PHE A 38 -4.317 -2.163 -2.322 1.00 0.00 C ATOM 543 O PHE A 38 -4.914 -1.358 -3.044 1.00 0.00 O ATOM 544 CB PHE A 38 -1.993 -2.996 -2.881 1.00 0.00 C ATOM 545 CG PHE A 38 -1.595 -1.767 -3.669 1.00 0.00 C ATOM 546 CD1 PHE A 38 -1.772 -0.477 -3.128 1.00 0.00 C ATOM 547 CD2 PHE A 38 -1.092 -1.916 -4.974 1.00 0.00 C ATOM 548 CE1 PHE A 38 -1.530 0.657 -3.921 1.00 0.00 C ATOM 549 CE2 PHE A 38 -0.874 -0.784 -5.772 1.00 0.00 C ATOM 550 CZ PHE A 38 -1.117 0.499 -5.253 1.00 0.00 C ATOM 0 H PHE A 38 -4.066 -2.815 -4.829 1.00 0.00 H new ATOM 0 HA PHE A 38 -3.657 -4.203 -2.276 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -1.678 -2.864 -1.846 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -1.447 -3.854 -3.273 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -2.094 -0.361 -2.104 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -0.874 -2.901 -5.361 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -1.661 1.646 -3.507 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -0.519 -0.898 -6.786 1.00 0.00 H new ATOM 0 HZ PHE A 38 -0.985 1.367 -5.882 1.00 0.00 H new ATOM 560 N LEU A 39 -4.271 -2.058 -0.995 1.00 0.00 N ATOM 561 CA LEU A 39 -4.763 -0.947 -0.199 1.00 0.00 C ATOM 562 C LEU A 39 -3.824 -0.752 0.991 1.00 0.00 C ATOM 563 O LEU A 39 -3.150 -1.700 1.412 1.00 0.00 O ATOM 564 CB LEU A 39 -6.219 -1.198 0.200 1.00 0.00 C ATOM 565 CG LEU A 39 -6.487 -2.194 1.347 1.00 0.00 C ATOM 566 CD1 LEU A 39 -6.568 -1.500 2.690 1.00 0.00 C ATOM 567 CD2 LEU A 39 -7.817 -2.895 1.103 1.00 0.00 C ATOM 0 H LEU A 39 -3.864 -2.793 -0.417 1.00 0.00 H new ATOM 0 HA LEU A 39 -4.765 -0.018 -0.769 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -6.660 -0.241 0.477 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -6.752 -1.551 -0.682 1.00 0.00 H new ATOM 0 HG LEU A 39 -5.659 -2.902 1.365 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -6.758 -2.238 3.470 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -5.626 -0.991 2.894 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -7.379 -0.771 2.675 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -8.010 -3.600 1.911 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -8.617 -2.155 1.067 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -7.777 -3.432 0.155 1.00 0.00 H new ATOM 579 N VAL A 40 -3.771 0.465 1.522 1.00 0.00 N ATOM 580 CA VAL A 40 -3.162 0.789 2.803 1.00 0.00 C ATOM 581 C VAL A 40 -4.317 0.980 3.772 1.00 0.00 C ATOM 582 O VAL A 40 -5.331 1.607 3.452 1.00 0.00 O ATOM 583 CB VAL A 40 -2.258 2.035 2.715 1.00 0.00 C ATOM 584 CG1 VAL A 40 -1.671 2.429 4.082 1.00 0.00 C ATOM 585 CG2 VAL A 40 -1.092 1.774 1.746 1.00 0.00 C ATOM 0 H VAL A 40 -4.166 1.281 1.054 1.00 0.00 H new ATOM 0 HA VAL A 40 -2.498 -0.008 3.139 1.00 0.00 H new ATOM 0 HB VAL A 40 -2.884 2.852 2.358 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -1.042 3.312 3.967 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -2.482 2.649 4.776 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -1.073 1.606 4.472 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -0.459 2.660 1.691 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -0.503 0.930 2.104 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -1.486 1.547 0.755 1.00 0.00 H new ATOM 595 N ARG A 41 -4.169 0.384 4.948 1.00 0.00 N ATOM 596 CA ARG A 41 -5.129 0.408 6.029 1.00 0.00 C ATOM 597 C ARG A 41 -4.364 0.646 7.321 1.00 0.00 C ATOM 598 O ARG A 41 -3.178 0.354 7.383 1.00 0.00 O ATOM 599 CB ARG A 41 -5.891 -0.919 6.072 1.00 0.00 C ATOM 600 CG ARG A 41 -5.041 -2.162 6.353 1.00 0.00 C ATOM 601 CD ARG A 41 -5.815 -3.400 5.892 1.00 0.00 C ATOM 602 NE ARG A 41 -5.119 -4.649 6.185 1.00 0.00 N ATOM 603 CZ ARG A 41 -5.183 -5.355 7.311 1.00 0.00 C ATOM 604 NH1 ARG A 41 -5.846 -4.909 8.372 1.00 0.00 N ATOM 605 NH2 ARG A 41 -4.566 -6.528 7.351 1.00 0.00 N ATOM 0 H ARG A 41 -3.334 -0.154 5.179 1.00 0.00 H new ATOM 0 HA ARG A 41 -5.861 1.203 5.886 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -6.664 -0.849 6.837 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -6.399 -1.057 5.118 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -4.088 -2.095 5.828 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -4.814 -2.232 7.417 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -6.792 -3.412 6.376 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -5.992 -3.332 4.819 1.00 0.00 H new ATOM 0 HE ARG A 41 -4.520 -5.020 5.448 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -6.321 -4.007 8.335 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -5.881 -5.469 9.224 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -4.060 -6.866 6.532 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -4.597 -7.092 8.200 1.00 0.00 H new ATOM 619 N GLU A 42 -5.018 1.057 8.389 1.00 0.00 N ATOM 620 CA GLU A 42 -4.433 1.112 9.719 1.00 0.00 C ATOM 621 C GLU A 42 -4.632 -0.235 10.412 1.00 0.00 C ATOM 622 O GLU A 42 -5.491 -1.035 10.017 1.00 0.00 O ATOM 623 CB GLU A 42 -4.993 2.321 10.485 1.00 0.00 C ATOM 624 CG GLU A 42 -4.187 2.658 11.761 1.00 0.00 C ATOM 625 CD GLU A 42 -4.781 2.217 13.108 1.00 0.00 C ATOM 626 OE1 GLU A 42 -6.005 2.363 13.324 1.00 0.00 O ATOM 627 OE2 GLU A 42 -3.997 1.863 14.030 1.00 0.00 O ATOM 0 H GLU A 42 -5.989 1.368 8.359 1.00 0.00 H new ATOM 0 HA GLU A 42 -3.356 1.272 9.674 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -4.999 3.190 9.826 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -6.029 2.122 10.759 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -3.199 2.208 11.665 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -4.043 3.738 11.793 1.00 0.00 H new ATOM 634 N SER A 43 -3.840 -0.471 11.458 1.00 0.00 N ATOM 635 CA SER A 43 -3.998 -1.567 12.395 1.00 0.00 C ATOM 636 C SER A 43 -5.337 -1.452 13.130 1.00 0.00 C ATOM 637 O SER A 43 -6.138 -0.551 12.876 1.00 0.00 O ATOM 638 CB SER A 43 -2.788 -1.559 13.340 1.00 0.00 C ATOM 639 OG SER A 43 -2.647 -2.788 14.034 1.00 0.00 O ATOM 0 H SER A 43 -3.041 0.124 11.678 1.00 0.00 H new ATOM 0 HA SER A 43 -4.024 -2.527 11.879 1.00 0.00 H new ATOM 0 HB2 SER A 43 -1.882 -1.360 12.767 1.00 0.00 H new ATOM 0 HB3 SER A 43 -2.895 -0.747 14.059 1.00 0.00 H new ATOM 0 HG SER A 43 -1.865 -2.743 14.623 1.00 0.00 H new ATOM 645 N GLN A 44 -5.621 -2.383 14.041 1.00 0.00 N ATOM 646 CA GLN A 44 -6.752 -2.265 14.951 1.00 0.00 C ATOM 647 C GLN A 44 -6.417 -1.285 16.084 1.00 0.00 C ATOM 648 O GLN A 44 -6.492 -1.640 17.262 1.00 0.00 O ATOM 649 CB GLN A 44 -7.222 -3.650 15.432 1.00 0.00 C ATOM 650 CG GLN A 44 -6.218 -4.579 16.130 1.00 0.00 C ATOM 651 CD GLN A 44 -6.771 -5.996 16.193 1.00 0.00 C ATOM 652 OE1 GLN A 44 -6.508 -6.798 15.299 1.00 0.00 O ATOM 653 NE2 GLN A 44 -7.562 -6.339 17.193 1.00 0.00 N ATOM 0 H GLN A 44 -5.074 -3.235 14.166 1.00 0.00 H new ATOM 0 HA GLN A 44 -7.606 -1.841 14.423 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -8.056 -3.494 16.116 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -7.615 -4.183 14.566 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -5.271 -4.574 15.591 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -6.014 -4.215 17.137 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -7.774 -5.666 17.930 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -7.961 -7.277 17.229 1.00 0.00 H new ATOM 662 N GLY A 45 -5.954 -0.080 15.758 1.00 0.00 N ATOM 663 CA GLY A 45 -5.481 0.880 16.734 1.00 0.00 C ATOM 664 C GLY A 45 -4.128 0.446 17.289 1.00 0.00 C ATOM 665 O GLY A 45 -4.053 -0.084 18.399 1.00 0.00 O ATOM 0 H GLY A 45 -5.899 0.254 14.796 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -5.394 1.864 16.274 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -6.203 0.970 17.546 1.00 0.00 H new ATOM 669 N LYS A 46 -3.056 0.657 16.522 1.00 0.00 N ATOM 670 CA LYS A 46 -1.670 0.677 17.003 1.00 0.00 C ATOM 671 C LYS A 46 -0.954 1.970 16.660 1.00 0.00 C ATOM 672 O LYS A 46 0.176 2.177 17.105 1.00 0.00 O ATOM 673 CB LYS A 46 -0.887 -0.519 16.438 1.00 0.00 C ATOM 674 CG LYS A 46 -1.073 -1.759 17.309 1.00 0.00 C ATOM 675 CD LYS A 46 -0.067 -1.753 18.452 1.00 0.00 C ATOM 676 CE LYS A 46 -0.265 -2.999 19.318 1.00 0.00 C ATOM 677 NZ LYS A 46 0.811 -3.183 20.310 1.00 0.00 N ATOM 0 H LYS A 46 -3.129 0.824 15.518 1.00 0.00 H new ATOM 0 HA LYS A 46 -1.713 0.606 18.090 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -1.223 -0.730 15.423 1.00 0.00 H new ATOM 0 HB3 LYS A 46 0.172 -0.269 16.378 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -2.087 -1.784 17.707 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -0.945 -2.658 16.707 1.00 0.00 H new ATOM 0 HD2 LYS A 46 0.948 -1.731 18.056 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -0.193 -0.854 19.056 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -1.222 -2.928 19.836 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -0.315 -3.878 18.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 0.626 -4.041 20.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 1.723 -3.279 19.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 0.844 -2.359 20.943 1.00 0.00 H new ATOM 691 N GLN A 47 -1.615 2.820 15.882 1.00 0.00 N ATOM 692 CA GLN A 47 -1.009 3.937 15.182 1.00 0.00 C ATOM 693 C GLN A 47 0.136 3.412 14.305 1.00 0.00 C ATOM 694 O GLN A 47 1.222 3.993 14.272 1.00 0.00 O ATOM 695 CB GLN A 47 -0.631 5.063 16.166 1.00 0.00 C ATOM 696 CG GLN A 47 -1.811 5.432 17.081 1.00 0.00 C ATOM 697 CD GLN A 47 -1.480 6.591 18.002 1.00 0.00 C ATOM 698 OE1 GLN A 47 -1.059 6.399 19.142 1.00 0.00 O ATOM 699 NE2 GLN A 47 -1.702 7.811 17.555 1.00 0.00 N ATOM 0 H GLN A 47 -2.619 2.745 15.719 1.00 0.00 H new ATOM 0 HA GLN A 47 -1.718 4.410 14.503 1.00 0.00 H new ATOM 0 HB2 GLN A 47 0.217 4.747 16.774 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -0.313 5.944 15.608 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -2.676 5.691 16.470 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -2.091 4.564 17.678 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -2.051 7.951 16.607 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -1.525 8.615 18.157 1.00 0.00 H new ATOM 708 N GLU A 48 -0.106 2.305 13.590 1.00 0.00 N ATOM 709 CA GLU A 48 0.771 1.752 12.579 1.00 0.00 C ATOM 710 C GLU A 48 -0.112 1.337 11.408 1.00 0.00 C ATOM 711 O GLU A 48 -1.199 0.788 11.618 1.00 0.00 O ATOM 712 CB GLU A 48 1.529 0.567 13.180 1.00 0.00 C ATOM 713 CG GLU A 48 2.150 -0.329 12.109 1.00 0.00 C ATOM 714 CD GLU A 48 3.189 -1.245 12.732 1.00 0.00 C ATOM 715 OE1 GLU A 48 2.800 -2.245 13.378 1.00 0.00 O ATOM 716 OE2 GLU A 48 4.397 -0.919 12.628 1.00 0.00 O ATOM 0 H GLU A 48 -0.957 1.756 13.714 1.00 0.00 H new ATOM 0 HA GLU A 48 1.514 2.469 12.231 1.00 0.00 H new ATOM 0 HB2 GLU A 48 2.313 0.938 13.840 1.00 0.00 H new ATOM 0 HB3 GLU A 48 0.848 -0.023 13.794 1.00 0.00 H new ATOM 0 HG2 GLU A 48 1.374 -0.922 11.626 1.00 0.00 H new ATOM 0 HG3 GLU A 48 2.612 0.283 11.334 1.00 0.00 H new ATOM 723 N TYR A 49 0.343 1.605 10.185 1.00 0.00 N ATOM 724 CA TYR A 49 -0.352 1.194 8.979 1.00 0.00 C ATOM 725 C TYR A 49 0.069 -0.205 8.542 1.00 0.00 C ATOM 726 O TYR A 49 1.103 -0.749 8.934 1.00 0.00 O ATOM 727 CB TYR A 49 -0.127 2.216 7.862 1.00 0.00 C ATOM 728 CG TYR A 49 -0.744 3.568 8.114 1.00 0.00 C ATOM 729 CD1 TYR A 49 -2.136 3.682 8.269 1.00 0.00 C ATOM 730 CD2 TYR A 49 0.070 4.713 8.159 1.00 0.00 C ATOM 731 CE1 TYR A 49 -2.718 4.937 8.512 1.00 0.00 C ATOM 732 CE2 TYR A 49 -0.511 5.975 8.345 1.00 0.00 C ATOM 733 CZ TYR A 49 -1.907 6.094 8.515 1.00 0.00 C ATOM 734 OH TYR A 49 -2.464 7.325 8.648 1.00 0.00 O ATOM 0 H TYR A 49 1.208 2.116 10.008 1.00 0.00 H new ATOM 0 HA TYR A 49 -1.419 1.154 9.198 1.00 0.00 H new ATOM 0 HB2 TYR A 49 0.945 2.343 7.714 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -0.532 1.814 6.933 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -2.760 2.803 8.201 1.00 0.00 H new ATOM 0 HD2 TYR A 49 1.141 4.621 8.051 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -3.779 5.017 8.695 1.00 0.00 H new ATOM 0 HE2 TYR A 49 0.111 6.858 8.358 1.00 0.00 H new ATOM 0 HH TYR A 49 -1.760 8.006 8.630 1.00 0.00 H new ATOM 744 N VAL A 50 -0.743 -0.776 7.667 1.00 0.00 N ATOM 745 CA VAL A 50 -0.647 -2.098 7.108 1.00 0.00 C ATOM 746 C VAL A 50 -0.925 -1.917 5.624 1.00 0.00 C ATOM 747 O VAL A 50 -1.829 -1.195 5.211 1.00 0.00 O ATOM 748 CB VAL A 50 -1.683 -3.035 7.758 1.00 0.00 C ATOM 749 CG1 VAL A 50 -1.380 -4.510 7.449 1.00 0.00 C ATOM 750 CG2 VAL A 50 -1.801 -2.820 9.267 1.00 0.00 C ATOM 0 H VAL A 50 -1.554 -0.275 7.304 1.00 0.00 H new ATOM 0 HA VAL A 50 0.328 -2.553 7.283 1.00 0.00 H new ATOM 0 HB VAL A 50 -2.646 -2.779 7.316 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -2.130 -5.143 7.923 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -1.401 -4.668 6.371 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -0.393 -4.767 7.834 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -2.544 -3.505 9.675 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -0.836 -3.009 9.738 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -2.107 -1.793 9.465 1.00 0.00 H new ATOM 760 N LEU A 51 -0.103 -2.554 4.824 1.00 0.00 N ATOM 761 CA LEU A 51 -0.286 -2.734 3.399 1.00 0.00 C ATOM 762 C LEU A 51 -0.978 -4.073 3.233 1.00 0.00 C ATOM 763 O LEU A 51 -0.646 -5.037 3.930 1.00 0.00 O ATOM 764 CB LEU A 51 1.092 -2.763 2.733 1.00 0.00 C ATOM 765 CG LEU A 51 1.087 -2.691 1.198 1.00 0.00 C ATOM 766 CD1 LEU A 51 0.391 -1.448 0.632 1.00 0.00 C ATOM 767 CD2 LEU A 51 2.547 -2.627 0.757 1.00 0.00 C ATOM 0 H LEU A 51 0.757 -2.984 5.165 1.00 0.00 H new ATOM 0 HA LEU A 51 -0.872 -1.934 2.947 1.00 0.00 H new ATOM 0 HB2 LEU A 51 1.679 -1.929 3.116 1.00 0.00 H new ATOM 0 HB3 LEU A 51 1.603 -3.677 3.035 1.00 0.00 H new ATOM 0 HG LEU A 51 0.542 -3.560 0.830 1.00 0.00 H new ATOM 0 HD11 LEU A 51 0.431 -1.473 -0.457 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -0.649 -1.434 0.957 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.896 -0.552 0.993 1.00 0.00 H new ATOM 0 HD21 LEU A 51 2.597 -2.574 -0.331 1.00 0.00 H new ATOM 0 HD22 LEU A 51 3.018 -1.742 1.185 1.00 0.00 H new ATOM 0 HD23 LEU A 51 3.071 -3.519 1.101 1.00 0.00 H new ATOM 779 N SER A 52 -1.941 -4.201 2.332 1.00 0.00 N ATOM 780 CA SER A 52 -2.520 -5.503 2.041 1.00 0.00 C ATOM 781 C SER A 52 -2.807 -5.599 0.555 1.00 0.00 C ATOM 782 O SER A 52 -3.244 -4.619 -0.040 1.00 0.00 O ATOM 783 CB SER A 52 -3.734 -5.742 2.941 1.00 0.00 C ATOM 784 OG SER A 52 -3.313 -5.686 4.298 1.00 0.00 O ATOM 0 H SER A 52 -2.334 -3.428 1.795 1.00 0.00 H new ATOM 0 HA SER A 52 -1.823 -6.309 2.269 1.00 0.00 H new ATOM 0 HB2 SER A 52 -4.499 -4.989 2.751 1.00 0.00 H new ATOM 0 HB3 SER A 52 -4.181 -6.712 2.724 1.00 0.00 H new ATOM 0 HG SER A 52 -3.356 -6.583 4.691 1.00 0.00 H new ATOM 790 N VAL A 53 -2.459 -6.740 -0.041 1.00 0.00 N ATOM 791 CA VAL A 53 -2.336 -6.927 -1.478 1.00 0.00 C ATOM 792 C VAL A 53 -2.664 -8.382 -1.832 1.00 0.00 C ATOM 793 O VAL A 53 -2.257 -9.293 -1.106 1.00 0.00 O ATOM 794 CB VAL A 53 -0.917 -6.494 -1.894 1.00 0.00 C ATOM 795 CG1 VAL A 53 0.203 -7.208 -1.121 1.00 0.00 C ATOM 796 CG2 VAL A 53 -0.664 -6.675 -3.388 1.00 0.00 C ATOM 0 H VAL A 53 -2.249 -7.587 0.487 1.00 0.00 H new ATOM 0 HA VAL A 53 -3.045 -6.312 -2.033 1.00 0.00 H new ATOM 0 HB VAL A 53 -0.885 -5.434 -1.641 1.00 0.00 H new ATOM 0 HG11 VAL A 53 1.171 -6.850 -1.470 1.00 0.00 H new ATOM 0 HG12 VAL A 53 0.101 -6.998 -0.056 1.00 0.00 H new ATOM 0 HG13 VAL A 53 0.132 -8.283 -1.288 1.00 0.00 H new ATOM 0 HG21 VAL A 53 0.350 -6.355 -3.627 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -0.785 -7.725 -3.653 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -1.377 -6.074 -3.953 1.00 0.00 H new ATOM 806 N LEU A 54 -3.426 -8.615 -2.904 1.00 0.00 N ATOM 807 CA LEU A 54 -3.945 -9.928 -3.276 1.00 0.00 C ATOM 808 C LEU A 54 -2.940 -10.556 -4.220 1.00 0.00 C ATOM 809 O LEU A 54 -2.815 -10.116 -5.360 1.00 0.00 O ATOM 810 CB LEU A 54 -5.353 -9.776 -3.885 1.00 0.00 C ATOM 811 CG LEU A 54 -6.124 -11.078 -4.180 1.00 0.00 C ATOM 812 CD1 LEU A 54 -6.269 -11.988 -2.959 1.00 0.00 C ATOM 813 CD2 LEU A 54 -7.493 -10.807 -4.784 1.00 0.00 C ATOM 0 H LEU A 54 -3.704 -7.877 -3.551 1.00 0.00 H new ATOM 0 HA LEU A 54 -4.064 -10.586 -2.415 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -5.954 -9.171 -3.206 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -5.263 -9.216 -4.816 1.00 0.00 H new ATOM 0 HG LEU A 54 -5.513 -11.606 -4.912 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -6.821 -12.885 -3.238 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -5.281 -12.269 -2.595 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -6.809 -11.459 -2.173 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -8.000 -11.753 -4.975 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -8.086 -10.211 -4.090 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -7.376 -10.262 -5.721 1.00 0.00 H new ATOM 825 N TRP A 55 -2.183 -11.540 -3.735 1.00 0.00 N ATOM 826 CA TRP A 55 -1.102 -12.148 -4.488 1.00 0.00 C ATOM 827 C TRP A 55 -1.232 -13.664 -4.385 1.00 0.00 C ATOM 828 O TRP A 55 -1.385 -14.188 -3.283 1.00 0.00 O ATOM 829 CB TRP A 55 0.225 -11.604 -3.948 1.00 0.00 C ATOM 830 CG TRP A 55 1.322 -11.578 -4.952 1.00 0.00 C ATOM 831 CD1 TRP A 55 2.454 -12.315 -4.921 1.00 0.00 C ATOM 832 CD2 TRP A 55 1.420 -10.723 -6.127 1.00 0.00 C ATOM 833 NE1 TRP A 55 3.249 -11.964 -5.990 1.00 0.00 N ATOM 834 CE2 TRP A 55 2.689 -10.944 -6.732 1.00 0.00 C ATOM 835 CE3 TRP A 55 0.581 -9.752 -6.716 1.00 0.00 C ATOM 836 CZ2 TRP A 55 3.147 -10.173 -7.812 1.00 0.00 C ATOM 837 CZ3 TRP A 55 1.005 -9.019 -7.839 1.00 0.00 C ATOM 838 CH2 TRP A 55 2.289 -9.209 -8.370 1.00 0.00 C ATOM 0 H TRP A 55 -2.308 -11.935 -2.803 1.00 0.00 H new ATOM 0 HA TRP A 55 -1.142 -11.899 -5.549 1.00 0.00 H new ATOM 0 HB2 TRP A 55 0.066 -10.593 -3.573 1.00 0.00 H new ATOM 0 HB3 TRP A 55 0.537 -12.213 -3.100 1.00 0.00 H new ATOM 0 HD1 TRP A 55 2.697 -13.060 -4.177 1.00 0.00 H new ATOM 0 HE1 TRP A 55 4.143 -12.405 -6.207 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -0.398 -9.570 -6.299 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 4.141 -10.318 -8.208 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 0.337 -8.304 -8.296 1.00 0.00 H new ATOM 0 HH2 TRP A 55 2.619 -8.614 -9.209 1.00 0.00 H new ATOM 849 N ASP A 56 -1.231 -14.361 -5.523 1.00 0.00 N ATOM 850 CA ASP A 56 -1.401 -15.815 -5.654 1.00 0.00 C ATOM 851 C ASP A 56 -2.619 -16.331 -4.866 1.00 0.00 C ATOM 852 O ASP A 56 -2.571 -17.371 -4.202 1.00 0.00 O ATOM 853 CB ASP A 56 -0.083 -16.515 -5.298 1.00 0.00 C ATOM 854 CG ASP A 56 0.102 -17.924 -5.871 1.00 0.00 C ATOM 855 OD1 ASP A 56 -0.812 -18.539 -6.463 1.00 0.00 O ATOM 856 OD2 ASP A 56 1.241 -18.435 -5.743 1.00 0.00 O ATOM 0 H ASP A 56 -1.105 -13.905 -6.427 1.00 0.00 H new ATOM 0 HA ASP A 56 -1.630 -16.061 -6.691 1.00 0.00 H new ATOM 0 HB2 ASP A 56 0.742 -15.892 -5.644 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -0.006 -16.572 -4.212 1.00 0.00 H new ATOM 861 N GLY A 57 -3.724 -15.570 -4.906 1.00 0.00 N ATOM 862 CA GLY A 57 -4.981 -15.932 -4.266 1.00 0.00 C ATOM 863 C GLY A 57 -4.986 -15.707 -2.755 1.00 0.00 C ATOM 864 O GLY A 57 -5.928 -16.132 -2.092 1.00 0.00 O ATOM 0 H GLY A 57 -3.761 -14.675 -5.393 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -5.787 -15.351 -4.714 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -5.193 -16.982 -4.469 1.00 0.00 H new ATOM 868 N LEU A 58 -3.965 -15.058 -2.187 1.00 0.00 N ATOM 869 CA LEU A 58 -3.856 -14.800 -0.754 1.00 0.00 C ATOM 870 C LEU A 58 -3.696 -13.289 -0.549 1.00 0.00 C ATOM 871 O LEU A 58 -2.639 -12.749 -0.896 1.00 0.00 O ATOM 872 CB LEU A 58 -2.696 -15.620 -0.169 1.00 0.00 C ATOM 873 CG LEU A 58 -2.608 -15.696 1.370 1.00 0.00 C ATOM 874 CD1 LEU A 58 -1.340 -16.464 1.762 1.00 0.00 C ATOM 875 CD2 LEU A 58 -2.574 -14.338 2.075 1.00 0.00 C ATOM 0 H LEU A 58 -3.178 -14.692 -2.723 1.00 0.00 H new ATOM 0 HA LEU A 58 -4.753 -15.114 -0.220 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -2.768 -16.636 -0.556 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -1.761 -15.202 -0.543 1.00 0.00 H new ATOM 0 HG LEU A 58 -3.520 -16.198 1.693 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -1.271 -16.522 2.848 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -1.382 -17.471 1.347 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -0.465 -15.946 1.370 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -2.512 -14.489 3.153 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -1.705 -13.774 1.737 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -3.481 -13.782 1.838 1.00 0.00 H new ATOM 887 N PRO A 59 -4.698 -12.598 0.026 1.00 0.00 N ATOM 888 CA PRO A 59 -4.608 -11.198 0.434 1.00 0.00 C ATOM 889 C PRO A 59 -3.601 -11.051 1.579 1.00 0.00 C ATOM 890 O PRO A 59 -3.938 -11.179 2.760 1.00 0.00 O ATOM 891 CB PRO A 59 -6.026 -10.779 0.820 1.00 0.00 C ATOM 892 CG PRO A 59 -6.642 -12.090 1.291 1.00 0.00 C ATOM 893 CD PRO A 59 -5.974 -13.159 0.447 1.00 0.00 C ATOM 0 HA PRO A 59 -4.241 -10.549 -0.361 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -6.026 -10.025 1.607 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -6.569 -10.357 -0.026 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -6.459 -12.253 2.353 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -7.723 -12.092 1.149 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -5.828 -14.074 1.021 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -6.590 -13.418 -0.414 1.00 0.00 H new ATOM 901 N ARG A 60 -2.335 -10.815 1.236 1.00 0.00 N ATOM 902 CA ARG A 60 -1.271 -10.619 2.201 1.00 0.00 C ATOM 903 C ARG A 60 -1.585 -9.416 3.068 1.00 0.00 C ATOM 904 O ARG A 60 -2.291 -8.504 2.646 1.00 0.00 O ATOM 905 CB ARG A 60 0.035 -10.345 1.452 1.00 0.00 C ATOM 906 CG ARG A 60 0.476 -11.476 0.517 1.00 0.00 C ATOM 907 CD ARG A 60 0.909 -12.689 1.351 1.00 0.00 C ATOM 908 NE ARG A 60 1.815 -13.604 0.648 1.00 0.00 N ATOM 909 CZ ARG A 60 1.599 -14.265 -0.493 1.00 0.00 C ATOM 910 NH1 ARG A 60 0.465 -14.114 -1.172 1.00 0.00 N ATOM 911 NH2 ARG A 60 2.542 -15.067 -0.957 1.00 0.00 N ATOM 0 H ARG A 60 -2.023 -10.755 0.267 1.00 0.00 H new ATOM 0 HA ARG A 60 -1.178 -11.510 2.822 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -0.079 -9.431 0.869 1.00 0.00 H new ATOM 0 HB3 ARG A 60 0.826 -10.162 2.180 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -0.342 -11.752 -0.148 1.00 0.00 H new ATOM 0 HG3 ARG A 60 1.300 -11.141 -0.113 1.00 0.00 H new ATOM 0 HD2 ARG A 60 1.398 -12.337 2.259 1.00 0.00 H new ATOM 0 HD3 ARG A 60 0.021 -13.240 1.660 1.00 0.00 H new ATOM 0 HE ARG A 60 2.724 -13.755 1.085 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -0.258 -13.485 -0.823 1.00 0.00 H new ATOM 0 HH12 ARG A 60 0.319 -14.627 -2.041 1.00 0.00 H new ATOM 0 HH21 ARG A 60 3.418 -15.174 -0.445 1.00 0.00 H new ATOM 0 HH22 ARG A 60 2.394 -15.579 -1.827 1.00 0.00 H new ATOM 925 N HIS A 61 -0.965 -9.368 4.239 1.00 0.00 N ATOM 926 CA HIS A 61 -0.965 -8.219 5.123 1.00 0.00 C ATOM 927 C HIS A 61 0.479 -8.033 5.573 1.00 0.00 C ATOM 928 O HIS A 61 1.020 -8.867 6.301 1.00 0.00 O ATOM 929 CB HIS A 61 -1.979 -8.396 6.271 1.00 0.00 C ATOM 930 CG HIS A 61 -1.761 -9.625 7.116 1.00 0.00 C ATOM 931 ND1 HIS A 61 -1.148 -9.666 8.349 1.00 0.00 N ATOM 932 CD2 HIS A 61 -2.042 -10.909 6.745 1.00 0.00 C ATOM 933 CE1 HIS A 61 -1.027 -10.958 8.700 1.00 0.00 C ATOM 934 NE2 HIS A 61 -1.506 -11.753 7.725 1.00 0.00 N ATOM 0 H HIS A 61 -0.432 -10.155 4.608 1.00 0.00 H new ATOM 0 HA HIS A 61 -1.301 -7.309 4.625 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -1.937 -7.517 6.914 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -2.983 -8.435 5.849 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -2.578 -11.216 5.859 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -0.606 -11.308 9.631 1.00 0.00 H new ATOM 0 HE2 HIS A 61 -1.483 -12.773 7.704 1.00 0.00 H new ATOM 942 N PHE A 62 1.136 -6.999 5.064 1.00 0.00 N ATOM 943 CA PHE A 62 2.483 -6.613 5.449 1.00 0.00 C ATOM 944 C PHE A 62 2.348 -5.324 6.226 1.00 0.00 C ATOM 945 O PHE A 62 1.621 -4.430 5.810 1.00 0.00 O ATOM 946 CB PHE A 62 3.341 -6.396 4.198 1.00 0.00 C ATOM 947 CG PHE A 62 3.343 -7.570 3.243 1.00 0.00 C ATOM 948 CD1 PHE A 62 3.928 -8.786 3.635 1.00 0.00 C ATOM 949 CD2 PHE A 62 2.724 -7.466 1.982 1.00 0.00 C ATOM 950 CE1 PHE A 62 3.938 -9.879 2.758 1.00 0.00 C ATOM 951 CE2 PHE A 62 2.755 -8.558 1.099 1.00 0.00 C ATOM 952 CZ PHE A 62 3.378 -9.761 1.476 1.00 0.00 C ATOM 0 H PHE A 62 0.733 -6.390 4.352 1.00 0.00 H new ATOM 0 HA PHE A 62 2.966 -7.384 6.049 1.00 0.00 H new ATOM 0 HB2 PHE A 62 2.980 -5.513 3.671 1.00 0.00 H new ATOM 0 HB3 PHE A 62 4.366 -6.188 4.504 1.00 0.00 H new ATOM 0 HD1 PHE A 62 4.371 -8.879 4.615 1.00 0.00 H new ATOM 0 HD2 PHE A 62 2.228 -6.551 1.695 1.00 0.00 H new ATOM 0 HE1 PHE A 62 4.378 -10.815 3.069 1.00 0.00 H new ATOM 0 HE2 PHE A 62 2.297 -8.473 0.124 1.00 0.00 H new ATOM 0 HZ PHE A 62 3.425 -10.589 0.784 1.00 0.00 H new ATOM 962 N ILE A 63 2.996 -5.220 7.372 1.00 0.00 N ATOM 963 CA ILE A 63 3.008 -3.971 8.105 1.00 0.00 C ATOM 964 C ILE A 63 3.797 -2.941 7.299 1.00 0.00 C ATOM 965 O ILE A 63 4.873 -3.258 6.778 1.00 0.00 O ATOM 966 CB ILE A 63 3.552 -4.262 9.508 1.00 0.00 C ATOM 967 CG1 ILE A 63 2.488 -5.020 10.333 1.00 0.00 C ATOM 968 CG2 ILE A 63 4.048 -2.998 10.197 1.00 0.00 C ATOM 969 CD1 ILE A 63 1.185 -4.254 10.614 1.00 0.00 C ATOM 0 H ILE A 63 3.516 -5.980 7.811 1.00 0.00 H new ATOM 0 HA ILE A 63 2.017 -3.537 8.241 1.00 0.00 H new ATOM 0 HB ILE A 63 4.426 -4.907 9.421 1.00 0.00 H new ATOM 0 HG12 ILE A 63 2.239 -5.942 9.808 1.00 0.00 H new ATOM 0 HG13 ILE A 63 2.932 -5.306 11.287 1.00 0.00 H new ATOM 0 HG21 ILE A 63 4.425 -3.248 11.189 1.00 0.00 H new ATOM 0 HG22 ILE A 63 4.848 -2.552 9.606 1.00 0.00 H new ATOM 0 HG23 ILE A 63 3.226 -2.288 10.290 1.00 0.00 H new ATOM 0 HD11 ILE A 63 0.513 -4.882 11.199 1.00 0.00 H new ATOM 0 HD12 ILE A 63 1.410 -3.345 11.172 1.00 0.00 H new ATOM 0 HD13 ILE A 63 0.707 -3.991 9.670 1.00 0.00 H new ATOM 981 N ILE A 64 3.246 -1.727 7.185 1.00 0.00 N ATOM 982 CA ILE A 64 3.917 -0.626 6.528 1.00 0.00 C ATOM 983 C ILE A 64 5.259 -0.397 7.210 1.00 0.00 C ATOM 984 O ILE A 64 5.472 -0.608 8.409 1.00 0.00 O ATOM 985 CB ILE A 64 3.035 0.646 6.485 1.00 0.00 C ATOM 986 CG1 ILE A 64 1.828 0.467 5.545 1.00 0.00 C ATOM 987 CG2 ILE A 64 3.781 1.933 6.097 1.00 0.00 C ATOM 988 CD1 ILE A 64 2.141 0.484 4.055 1.00 0.00 C ATOM 0 H ILE A 64 2.323 -1.492 7.549 1.00 0.00 H new ATOM 0 HA ILE A 64 4.099 -0.878 5.483 1.00 0.00 H new ATOM 0 HB ILE A 64 2.700 0.770 7.515 1.00 0.00 H new ATOM 0 HG12 ILE A 64 1.342 -0.479 5.784 1.00 0.00 H new ATOM 0 HG13 ILE A 64 1.107 1.258 5.755 1.00 0.00 H new ATOM 0 HG21 ILE A 64 3.084 2.771 6.093 1.00 0.00 H new ATOM 0 HG22 ILE A 64 4.575 2.125 6.819 1.00 0.00 H new ATOM 0 HG23 ILE A 64 4.214 1.817 5.104 1.00 0.00 H new ATOM 0 HD11 ILE A 64 1.220 0.350 3.488 1.00 0.00 H new ATOM 0 HD12 ILE A 64 2.595 1.439 3.789 1.00 0.00 H new ATOM 0 HD13 ILE A 64 2.833 -0.325 3.819 1.00 0.00 H new ATOM 1000 N GLN A 65 6.175 0.014 6.358 1.00 0.00 N ATOM 1001 CA GLN A 65 7.560 0.261 6.650 1.00 0.00 C ATOM 1002 C GLN A 65 7.682 1.362 7.696 1.00 0.00 C ATOM 1003 O GLN A 65 6.751 2.134 7.912 1.00 0.00 O ATOM 1004 CB GLN A 65 8.263 0.681 5.347 1.00 0.00 C ATOM 1005 CG GLN A 65 7.840 -0.123 4.105 1.00 0.00 C ATOM 1006 CD GLN A 65 6.592 0.405 3.412 1.00 0.00 C ATOM 1007 OE1 GLN A 65 5.502 -0.137 3.556 1.00 0.00 O ATOM 1008 NE2 GLN A 65 6.705 1.489 2.671 1.00 0.00 N ATOM 0 H GLN A 65 5.950 0.194 5.380 1.00 0.00 H new ATOM 0 HA GLN A 65 8.027 -0.640 7.047 1.00 0.00 H new ATOM 0 HB2 GLN A 65 8.063 1.737 5.166 1.00 0.00 H new ATOM 0 HB3 GLN A 65 9.340 0.579 5.481 1.00 0.00 H new ATOM 0 HG2 GLN A 65 8.664 -0.127 3.391 1.00 0.00 H new ATOM 0 HG3 GLN A 65 7.668 -1.159 4.398 1.00 0.00 H new ATOM 0 HE21 GLN A 65 7.615 1.935 2.555 1.00 0.00 H new ATOM 0 HE22 GLN A 65 5.882 1.882 2.213 1.00 0.00 H new ATOM 1017 N SER A 66 8.857 1.493 8.292 1.00 0.00 N ATOM 1018 CA SER A 66 9.140 2.524 9.270 1.00 0.00 C ATOM 1019 C SER A 66 10.619 2.372 9.573 1.00 0.00 C ATOM 1020 O SER A 66 11.035 1.382 10.177 1.00 0.00 O ATOM 1021 CB SER A 66 8.239 2.312 10.499 1.00 0.00 C ATOM 1022 OG SER A 66 8.713 2.923 11.684 1.00 0.00 O ATOM 0 H SER A 66 9.648 0.877 8.106 1.00 0.00 H new ATOM 0 HA SER A 66 8.933 3.537 8.925 1.00 0.00 H new ATOM 0 HB2 SER A 66 7.245 2.701 10.277 1.00 0.00 H new ATOM 0 HB3 SER A 66 8.131 1.242 10.675 1.00 0.00 H new ATOM 0 HG SER A 66 8.087 2.745 12.417 1.00 0.00 H new ATOM 1028 N LEU A 67 11.411 3.333 9.116 1.00 0.00 N ATOM 1029 CA LEU A 67 12.642 3.682 9.790 1.00 0.00 C ATOM 1030 C LEU A 67 12.393 5.050 10.410 1.00 0.00 C ATOM 1031 O LEU A 67 11.271 5.334 10.829 1.00 0.00 O ATOM 1032 CB LEU A 67 13.877 3.561 8.880 1.00 0.00 C ATOM 1033 CG LEU A 67 13.843 4.448 7.620 1.00 0.00 C ATOM 1034 CD1 LEU A 67 15.268 4.889 7.284 1.00 0.00 C ATOM 1035 CD2 LEU A 67 13.271 3.675 6.428 1.00 0.00 C ATOM 0 H LEU A 67 11.217 3.882 8.279 1.00 0.00 H new ATOM 0 HA LEU A 67 12.900 2.978 10.581 1.00 0.00 H new ATOM 0 HB2 LEU A 67 14.764 3.813 9.461 1.00 0.00 H new ATOM 0 HB3 LEU A 67 13.983 2.521 8.572 1.00 0.00 H new ATOM 0 HG LEU A 67 13.209 5.313 7.817 1.00 0.00 H new ATOM 0 HD11 LEU A 67 15.254 5.517 6.393 1.00 0.00 H new ATOM 0 HD12 LEU A 67 15.681 5.454 8.120 1.00 0.00 H new ATOM 0 HD13 LEU A 67 15.886 4.011 7.099 1.00 0.00 H new ATOM 0 HD21 LEU A 67 13.256 4.320 5.549 1.00 0.00 H new ATOM 0 HD22 LEU A 67 13.893 2.803 6.227 1.00 0.00 H new ATOM 0 HD23 LEU A 67 12.256 3.351 6.658 1.00 0.00 H new ATOM 1047 N ASP A 68 13.432 5.869 10.531 1.00 0.00 N ATOM 1048 CA ASP A 68 13.438 6.985 11.466 1.00 0.00 C ATOM 1049 C ASP A 68 12.330 7.967 11.130 1.00 0.00 C ATOM 1050 O ASP A 68 11.484 8.287 11.968 1.00 0.00 O ATOM 1051 CB ASP A 68 14.798 7.684 11.391 1.00 0.00 C ATOM 1052 CG ASP A 68 15.875 6.998 12.230 1.00 0.00 C ATOM 1053 OD1 ASP A 68 15.553 6.454 13.312 1.00 0.00 O ATOM 1054 OD2 ASP A 68 17.043 6.970 11.774 1.00 0.00 O ATOM 0 H ASP A 68 14.289 5.778 9.986 1.00 0.00 H new ATOM 0 HA ASP A 68 13.267 6.612 12.476 1.00 0.00 H new ATOM 0 HB2 ASP A 68 15.124 7.719 10.352 1.00 0.00 H new ATOM 0 HB3 ASP A 68 14.688 8.715 11.726 1.00 0.00 H new ATOM 1059 N ASN A 69 12.340 8.446 9.888 1.00 0.00 N ATOM 1060 CA ASN A 69 11.424 9.440 9.359 1.00 0.00 C ATOM 1061 C ASN A 69 11.010 9.112 7.920 1.00 0.00 C ATOM 1062 O ASN A 69 10.489 9.959 7.195 1.00 0.00 O ATOM 1063 CB ASN A 69 12.114 10.805 9.470 1.00 0.00 C ATOM 1064 CG ASN A 69 11.192 11.963 9.136 1.00 0.00 C ATOM 1065 OD1 ASN A 69 11.542 12.807 8.320 1.00 0.00 O ATOM 1066 ND2 ASN A 69 10.038 12.064 9.774 1.00 0.00 N ATOM 0 H ASN A 69 13.020 8.134 9.195 1.00 0.00 H new ATOM 0 HA ASN A 69 10.497 9.450 9.933 1.00 0.00 H new ATOM 0 HB2 ASN A 69 12.496 10.932 10.483 1.00 0.00 H new ATOM 0 HB3 ASN A 69 12.974 10.827 8.800 1.00 0.00 H new ATOM 0 HD21 ASN A 69 9.421 12.855 9.590 1.00 0.00 H new ATOM 0 HD22 ASN A 69 9.765 11.351 10.450 1.00 0.00 H new ATOM 1073 N LEU A 70 11.331 7.895 7.473 1.00 0.00 N ATOM 1074 CA LEU A 70 11.117 7.406 6.124 1.00 0.00 C ATOM 1075 C LEU A 70 10.476 6.019 6.199 1.00 0.00 C ATOM 1076 O LEU A 70 10.395 5.401 7.268 1.00 0.00 O ATOM 1077 CB LEU A 70 12.450 7.326 5.351 1.00 0.00 C ATOM 1078 CG LEU A 70 13.386 8.552 5.441 1.00 0.00 C ATOM 1079 CD1 LEU A 70 14.828 8.093 5.639 1.00 0.00 C ATOM 1080 CD2 LEU A 70 13.239 9.442 4.211 1.00 0.00 C ATOM 0 H LEU A 70 11.767 7.198 8.076 1.00 0.00 H new ATOM 0 HA LEU A 70 10.460 8.095 5.594 1.00 0.00 H new ATOM 0 HB2 LEU A 70 12.998 6.454 5.709 1.00 0.00 H new ATOM 0 HB3 LEU A 70 12.222 7.150 4.300 1.00 0.00 H new ATOM 0 HG LEU A 70 13.101 9.152 6.305 1.00 0.00 H new ATOM 0 HD11 LEU A 70 15.481 8.963 5.701 1.00 0.00 H new ATOM 0 HD12 LEU A 70 14.903 7.516 6.561 1.00 0.00 H new ATOM 0 HD13 LEU A 70 15.131 7.471 4.796 1.00 0.00 H new ATOM 0 HD21 LEU A 70 13.908 10.298 4.299 1.00 0.00 H new ATOM 0 HD22 LEU A 70 13.494 8.872 3.317 1.00 0.00 H new ATOM 0 HD23 LEU A 70 12.210 9.793 4.137 1.00 0.00 H new ATOM 1092 N TYR A 71 10.095 5.498 5.040 1.00 0.00 N ATOM 1093 CA TYR A 71 9.447 4.211 4.830 1.00 0.00 C ATOM 1094 C TYR A 71 10.255 3.530 3.726 1.00 0.00 C ATOM 1095 O TYR A 71 10.366 4.122 2.655 1.00 0.00 O ATOM 1096 CB TYR A 71 8.002 4.483 4.347 1.00 0.00 C ATOM 1097 CG TYR A 71 7.233 5.481 5.185 1.00 0.00 C ATOM 1098 CD1 TYR A 71 6.573 5.064 6.350 1.00 0.00 C ATOM 1099 CD2 TYR A 71 7.220 6.836 4.821 1.00 0.00 C ATOM 1100 CE1 TYR A 71 5.943 5.995 7.190 1.00 0.00 C ATOM 1101 CE2 TYR A 71 6.593 7.780 5.648 1.00 0.00 C ATOM 1102 CZ TYR A 71 5.964 7.366 6.845 1.00 0.00 C ATOM 1103 OH TYR A 71 5.379 8.288 7.654 1.00 0.00 O ATOM 0 H TYR A 71 10.241 5.998 4.163 1.00 0.00 H new ATOM 0 HA TYR A 71 9.407 3.593 5.727 1.00 0.00 H new ATOM 0 HB2 TYR A 71 8.039 4.844 3.319 1.00 0.00 H new ATOM 0 HB3 TYR A 71 7.454 3.541 4.335 1.00 0.00 H new ATOM 0 HD1 TYR A 71 6.549 4.014 6.604 1.00 0.00 H new ATOM 0 HD2 TYR A 71 7.693 7.153 3.903 1.00 0.00 H new ATOM 0 HE1 TYR A 71 5.447 5.667 8.092 1.00 0.00 H new ATOM 0 HE2 TYR A 71 6.591 8.824 5.370 1.00 0.00 H new ATOM 0 HH TYR A 71 5.488 9.181 7.265 1.00 0.00 H new ATOM 1113 N ARG A 72 10.815 2.332 3.942 1.00 0.00 N ATOM 1114 CA ARG A 72 11.528 1.552 2.917 1.00 0.00 C ATOM 1115 C ARG A 72 11.088 0.102 2.968 1.00 0.00 C ATOM 1116 O ARG A 72 10.892 -0.420 4.065 1.00 0.00 O ATOM 1117 CB ARG A 72 13.046 1.626 3.107 1.00 0.00 C ATOM 1118 CG ARG A 72 13.604 0.995 4.387 1.00 0.00 C ATOM 1119 CD ARG A 72 13.866 -0.521 4.333 1.00 0.00 C ATOM 1120 NE ARG A 72 15.086 -0.872 5.065 1.00 0.00 N ATOM 1121 CZ ARG A 72 15.266 -0.757 6.386 1.00 0.00 C ATOM 1122 NH1 ARG A 72 14.267 -0.440 7.210 1.00 0.00 N ATOM 1123 NH2 ARG A 72 16.477 -0.939 6.889 1.00 0.00 N ATOM 0 H ARG A 72 10.786 1.868 4.850 1.00 0.00 H new ATOM 0 HA ARG A 72 11.282 1.982 1.946 1.00 0.00 H new ATOM 0 HB2 ARG A 72 13.521 1.143 2.253 1.00 0.00 H new ATOM 0 HB3 ARG A 72 13.342 2.675 3.086 1.00 0.00 H new ATOM 0 HG2 ARG A 72 14.539 1.496 4.638 1.00 0.00 H new ATOM 0 HG3 ARG A 72 12.907 1.194 5.201 1.00 0.00 H new ATOM 0 HD2 ARG A 72 13.017 -1.055 4.758 1.00 0.00 H new ATOM 0 HD3 ARG A 72 13.956 -0.841 3.295 1.00 0.00 H new ATOM 0 HE ARG A 72 15.867 -1.236 4.519 1.00 0.00 H new ATOM 0 HH11 ARG A 72 13.331 -0.277 6.838 1.00 0.00 H new ATOM 0 HH12 ARG A 72 14.438 -0.360 8.212 1.00 0.00 H new ATOM 0 HH21 ARG A 72 17.257 -1.164 6.272 1.00 0.00 H new ATOM 0 HH22 ARG A 72 16.630 -0.855 7.894 1.00 0.00 H new ATOM 1137 N LEU A 73 10.906 -0.554 1.828 1.00 0.00 N ATOM 1138 CA LEU A 73 10.437 -1.935 1.778 1.00 0.00 C ATOM 1139 C LEU A 73 11.490 -2.812 1.126 1.00 0.00 C ATOM 1140 O LEU A 73 11.749 -3.907 1.632 1.00 0.00 O ATOM 1141 CB LEU A 73 9.086 -2.002 1.051 1.00 0.00 C ATOM 1142 CG LEU A 73 8.307 -3.304 1.233 1.00 0.00 C ATOM 1143 CD1 LEU A 73 8.086 -3.736 2.679 1.00 0.00 C ATOM 1144 CD2 LEU A 73 6.958 -3.041 0.586 1.00 0.00 C ATOM 0 H LEU A 73 11.080 -0.143 0.911 1.00 0.00 H new ATOM 0 HA LEU A 73 10.279 -2.313 2.788 1.00 0.00 H new ATOM 0 HB2 LEU A 73 8.465 -1.176 1.397 1.00 0.00 H new ATOM 0 HB3 LEU A 73 9.258 -1.847 -0.014 1.00 0.00 H new ATOM 0 HG LEU A 73 8.881 -4.118 0.791 1.00 0.00 H new ATOM 0 HD11 LEU A 73 7.524 -4.670 2.698 1.00 0.00 H new ATOM 0 HD12 LEU A 73 9.050 -3.882 3.166 1.00 0.00 H new ATOM 0 HD13 LEU A 73 7.526 -2.965 3.208 1.00 0.00 H new ATOM 0 HD21 LEU A 73 6.333 -3.930 0.673 1.00 0.00 H new ATOM 0 HD22 LEU A 73 6.471 -2.205 1.088 1.00 0.00 H new ATOM 0 HD23 LEU A 73 7.101 -2.799 -0.467 1.00 0.00 H new ATOM 1156 N GLU A 74 12.122 -2.300 0.066 1.00 0.00 N ATOM 1157 CA GLU A 74 13.140 -3.001 -0.694 1.00 0.00 C ATOM 1158 C GLU A 74 14.443 -2.192 -0.688 1.00 0.00 C ATOM 1159 O GLU A 74 15.415 -2.584 -0.038 1.00 0.00 O ATOM 1160 CB GLU A 74 12.613 -3.307 -2.108 1.00 0.00 C ATOM 1161 CG GLU A 74 13.570 -4.156 -2.962 1.00 0.00 C ATOM 1162 CD GLU A 74 13.819 -5.589 -2.464 1.00 0.00 C ATOM 1163 OE1 GLU A 74 13.357 -5.999 -1.374 1.00 0.00 O ATOM 1164 OE2 GLU A 74 14.494 -6.347 -3.192 1.00 0.00 O ATOM 0 H GLU A 74 11.929 -1.364 -0.289 1.00 0.00 H new ATOM 0 HA GLU A 74 13.370 -3.961 -0.232 1.00 0.00 H new ATOM 0 HB2 GLU A 74 11.659 -3.827 -2.024 1.00 0.00 H new ATOM 0 HB3 GLU A 74 12.419 -2.367 -2.624 1.00 0.00 H new ATOM 0 HG2 GLU A 74 13.173 -4.208 -3.976 1.00 0.00 H new ATOM 0 HG3 GLU A 74 14.529 -3.640 -3.021 1.00 0.00 H new ATOM 1171 N GLY A 75 14.471 -1.059 -1.389 1.00 0.00 N ATOM 1172 CA GLY A 75 15.665 -0.269 -1.654 1.00 0.00 C ATOM 1173 C GLY A 75 15.717 0.964 -0.759 1.00 0.00 C ATOM 1174 O GLY A 75 15.803 0.844 0.473 1.00 0.00 O ATOM 0 H GLY A 75 13.630 -0.654 -1.801 1.00 0.00 H new ATOM 0 HA2 GLY A 75 16.553 -0.880 -1.489 1.00 0.00 H new ATOM 0 HA3 GLY A 75 15.678 0.036 -2.700 1.00 0.00 H new ATOM 1178 N GLU A 76 15.673 2.148 -1.371 1.00 0.00 N ATOM 1179 CA GLU A 76 15.628 3.423 -0.669 1.00 0.00 C ATOM 1180 C GLU A 76 14.353 3.572 0.165 1.00 0.00 C ATOM 1181 O GLU A 76 13.354 2.871 -0.023 1.00 0.00 O ATOM 1182 CB GLU A 76 15.788 4.601 -1.649 1.00 0.00 C ATOM 1183 CG GLU A 76 14.597 4.817 -2.594 1.00 0.00 C ATOM 1184 CD GLU A 76 14.894 5.934 -3.596 1.00 0.00 C ATOM 1185 OE1 GLU A 76 14.715 7.125 -3.258 1.00 0.00 O ATOM 1186 OE2 GLU A 76 15.351 5.633 -4.723 1.00 0.00 O ATOM 0 H GLU A 76 15.668 2.245 -2.386 1.00 0.00 H new ATOM 0 HA GLU A 76 16.470 3.439 0.023 1.00 0.00 H new ATOM 0 HB2 GLU A 76 15.949 5.514 -1.075 1.00 0.00 H new ATOM 0 HB3 GLU A 76 16.684 4.439 -2.248 1.00 0.00 H new ATOM 0 HG2 GLU A 76 14.378 3.892 -3.128 1.00 0.00 H new ATOM 0 HG3 GLU A 76 13.708 5.069 -2.015 1.00 0.00 H new ATOM 1193 N GLY A 77 14.395 4.534 1.085 1.00 0.00 N ATOM 1194 CA GLY A 77 13.239 5.001 1.816 1.00 0.00 C ATOM 1195 C GLY A 77 12.747 6.303 1.215 1.00 0.00 C ATOM 1196 O GLY A 77 13.496 6.994 0.522 1.00 0.00 O ATOM 0 H GLY A 77 15.257 5.015 1.342 1.00 0.00 H new ATOM 0 HA2 GLY A 77 12.448 4.252 1.782 1.00 0.00 H new ATOM 0 HA3 GLY A 77 13.495 5.147 2.865 1.00 0.00 H new ATOM 1200 N PHE A 78 11.497 6.655 1.498 1.00 0.00 N ATOM 1201 CA PHE A 78 10.884 7.907 1.068 1.00 0.00 C ATOM 1202 C PHE A 78 10.281 8.609 2.284 1.00 0.00 C ATOM 1203 O PHE A 78 9.903 7.924 3.234 1.00 0.00 O ATOM 1204 CB PHE A 78 9.795 7.653 0.012 1.00 0.00 C ATOM 1205 CG PHE A 78 10.298 7.515 -1.412 1.00 0.00 C ATOM 1206 CD1 PHE A 78 10.927 6.336 -1.862 1.00 0.00 C ATOM 1207 CD2 PHE A 78 10.137 8.594 -2.302 1.00 0.00 C ATOM 1208 CE1 PHE A 78 11.326 6.213 -3.203 1.00 0.00 C ATOM 1209 CE2 PHE A 78 10.545 8.472 -3.642 1.00 0.00 C ATOM 1210 CZ PHE A 78 11.132 7.278 -4.097 1.00 0.00 C ATOM 0 H PHE A 78 10.869 6.066 2.044 1.00 0.00 H new ATOM 0 HA PHE A 78 11.648 8.539 0.616 1.00 0.00 H new ATOM 0 HB2 PHE A 78 9.256 6.744 0.280 1.00 0.00 H new ATOM 0 HB3 PHE A 78 9.077 8.472 0.049 1.00 0.00 H new ATOM 0 HD1 PHE A 78 11.103 5.524 -1.172 1.00 0.00 H new ATOM 0 HD2 PHE A 78 9.699 9.518 -1.954 1.00 0.00 H new ATOM 0 HE1 PHE A 78 11.783 5.297 -3.547 1.00 0.00 H new ATOM 0 HE2 PHE A 78 10.407 9.298 -4.324 1.00 0.00 H new ATOM 0 HZ PHE A 78 11.432 7.181 -5.130 1.00 0.00 H new ATOM 1220 N PRO A 79 10.119 9.943 2.236 1.00 0.00 N ATOM 1221 CA PRO A 79 9.515 10.751 3.298 1.00 0.00 C ATOM 1222 C PRO A 79 7.994 10.573 3.423 1.00 0.00 C ATOM 1223 O PRO A 79 7.399 11.073 4.375 1.00 0.00 O ATOM 1224 CB PRO A 79 9.854 12.201 2.920 1.00 0.00 C ATOM 1225 CG PRO A 79 9.881 12.138 1.396 1.00 0.00 C ATOM 1226 CD PRO A 79 10.552 10.802 1.143 1.00 0.00 C ATOM 0 HA PRO A 79 9.905 10.449 4.270 1.00 0.00 H new ATOM 0 HB2 PRO A 79 9.104 12.903 3.285 1.00 0.00 H new ATOM 0 HB3 PRO A 79 10.813 12.516 3.332 1.00 0.00 H new ATOM 0 HG2 PRO A 79 8.879 12.178 0.969 1.00 0.00 H new ATOM 0 HG3 PRO A 79 10.445 12.965 0.964 1.00 0.00 H new ATOM 0 HD2 PRO A 79 10.257 10.390 0.178 1.00 0.00 H new ATOM 0 HD3 PRO A 79 11.637 10.903 1.128 1.00 0.00 H new ATOM 1234 N SER A 80 7.340 9.881 2.490 1.00 0.00 N ATOM 1235 CA SER A 80 5.900 9.646 2.510 1.00 0.00 C ATOM 1236 C SER A 80 5.671 8.209 2.056 1.00 0.00 C ATOM 1237 O SER A 80 6.476 7.659 1.298 1.00 0.00 O ATOM 1238 CB SER A 80 5.192 10.651 1.591 1.00 0.00 C ATOM 1239 OG SER A 80 5.807 11.931 1.611 1.00 0.00 O ATOM 0 H SER A 80 7.806 9.461 1.686 1.00 0.00 H new ATOM 0 HA SER A 80 5.488 9.785 3.509 1.00 0.00 H new ATOM 0 HB2 SER A 80 5.191 10.268 0.571 1.00 0.00 H new ATOM 0 HB3 SER A 80 4.150 10.747 1.897 1.00 0.00 H new ATOM 0 HG SER A 80 5.173 12.604 1.286 1.00 0.00 H new ATOM 1245 N ILE A 81 4.581 7.599 2.512 1.00 0.00 N ATOM 1246 CA ILE A 81 4.125 6.315 2.001 1.00 0.00 C ATOM 1247 C ILE A 81 3.726 6.498 0.530 1.00 0.00 C ATOM 1248 O ILE A 81 4.194 5.710 -0.290 1.00 0.00 O ATOM 1249 CB ILE A 81 3.014 5.717 2.902 1.00 0.00 C ATOM 1250 CG1 ILE A 81 3.609 5.389 4.295 1.00 0.00 C ATOM 1251 CG2 ILE A 81 2.399 4.447 2.284 1.00 0.00 C ATOM 1252 CD1 ILE A 81 2.572 5.279 5.417 1.00 0.00 C ATOM 0 H ILE A 81 3.989 7.984 3.248 1.00 0.00 H new ATOM 0 HA ILE A 81 4.923 5.574 2.032 1.00 0.00 H new ATOM 0 HB ILE A 81 2.218 6.455 2.997 1.00 0.00 H new ATOM 0 HG12 ILE A 81 4.157 4.449 4.230 1.00 0.00 H new ATOM 0 HG13 ILE A 81 4.331 6.162 4.559 1.00 0.00 H new ATOM 0 HG21 ILE A 81 1.625 4.059 2.946 1.00 0.00 H new ATOM 0 HG22 ILE A 81 1.961 4.689 1.316 1.00 0.00 H new ATOM 0 HG23 ILE A 81 3.176 3.693 2.153 1.00 0.00 H new ATOM 0 HD11 ILE A 81 3.075 5.048 6.356 1.00 0.00 H new ATOM 0 HD12 ILE A 81 2.039 6.225 5.514 1.00 0.00 H new ATOM 0 HD13 ILE A 81 1.863 4.486 5.180 1.00 0.00 H new ATOM 1264 N PRO A 82 2.911 7.506 0.142 1.00 0.00 N ATOM 1265 CA PRO A 82 2.392 7.581 -1.220 1.00 0.00 C ATOM 1266 C PRO A 82 3.483 7.828 -2.254 1.00 0.00 C ATOM 1267 O PRO A 82 3.352 7.393 -3.398 1.00 0.00 O ATOM 1268 CB PRO A 82 1.346 8.704 -1.221 1.00 0.00 C ATOM 1269 CG PRO A 82 1.704 9.554 -0.009 1.00 0.00 C ATOM 1270 CD PRO A 82 2.283 8.540 0.958 1.00 0.00 C ATOM 0 HA PRO A 82 1.950 6.627 -1.507 1.00 0.00 H new ATOM 0 HB2 PRO A 82 1.389 9.286 -2.142 1.00 0.00 H new ATOM 0 HB3 PRO A 82 0.335 8.305 -1.142 1.00 0.00 H new ATOM 0 HG2 PRO A 82 2.426 10.331 -0.260 1.00 0.00 H new ATOM 0 HG3 PRO A 82 0.829 10.054 0.406 1.00 0.00 H new ATOM 0 HD2 PRO A 82 3.011 9.007 1.621 1.00 0.00 H new ATOM 0 HD3 PRO A 82 1.503 8.116 1.590 1.00 0.00 H new ATOM 1278 N LEU A 83 4.566 8.480 -1.830 1.00 0.00 N ATOM 1279 CA LEU A 83 5.730 8.749 -2.649 1.00 0.00 C ATOM 1280 C LEU A 83 6.462 7.445 -2.957 1.00 0.00 C ATOM 1281 O LEU A 83 6.967 7.273 -4.063 1.00 0.00 O ATOM 1282 CB LEU A 83 6.630 9.770 -1.933 1.00 0.00 C ATOM 1283 CG LEU A 83 6.264 11.243 -2.214 1.00 0.00 C ATOM 1284 CD1 LEU A 83 4.871 11.709 -1.790 1.00 0.00 C ATOM 1285 CD2 LEU A 83 7.317 12.166 -1.601 1.00 0.00 C ATOM 0 H LEU A 83 4.652 8.842 -0.880 1.00 0.00 H new ATOM 0 HA LEU A 83 5.430 9.182 -3.603 1.00 0.00 H new ATOM 0 HB2 LEU A 83 6.578 9.593 -0.859 1.00 0.00 H new ATOM 0 HB3 LEU A 83 7.664 9.600 -2.234 1.00 0.00 H new ATOM 0 HG LEU A 83 6.245 11.301 -3.302 1.00 0.00 H new ATOM 0 HD11 LEU A 83 4.746 12.761 -2.045 1.00 0.00 H new ATOM 0 HD12 LEU A 83 4.116 11.118 -2.308 1.00 0.00 H new ATOM 0 HD13 LEU A 83 4.756 11.581 -0.714 1.00 0.00 H new ATOM 0 HD21 LEU A 83 7.053 13.204 -1.803 1.00 0.00 H new ATOM 0 HD22 LEU A 83 7.359 12.005 -0.524 1.00 0.00 H new ATOM 0 HD23 LEU A 83 8.291 11.948 -2.039 1.00 0.00 H new ATOM 1297 N LEU A 84 6.504 6.518 -1.995 1.00 0.00 N ATOM 1298 CA LEU A 84 7.191 5.245 -2.156 1.00 0.00 C ATOM 1299 C LEU A 84 6.384 4.273 -3.004 1.00 0.00 C ATOM 1300 O LEU A 84 6.958 3.414 -3.673 1.00 0.00 O ATOM 1301 CB LEU A 84 7.414 4.601 -0.779 1.00 0.00 C ATOM 1302 CG LEU A 84 8.745 3.846 -0.593 1.00 0.00 C ATOM 1303 CD1 LEU A 84 8.576 2.810 0.515 1.00 0.00 C ATOM 1304 CD2 LEU A 84 9.358 3.139 -1.808 1.00 0.00 C ATOM 0 H LEU A 84 6.060 6.635 -1.084 1.00 0.00 H new ATOM 0 HA LEU A 84 8.139 5.448 -2.653 1.00 0.00 H new ATOM 0 HB2 LEU A 84 7.353 5.382 -0.021 1.00 0.00 H new ATOM 0 HB3 LEU A 84 6.596 3.907 -0.588 1.00 0.00 H new ATOM 0 HG LEU A 84 9.451 4.644 -0.363 1.00 0.00 H new ATOM 0 HD11 LEU A 84 9.513 2.270 0.654 1.00 0.00 H new ATOM 0 HD12 LEU A 84 8.305 3.312 1.444 1.00 0.00 H new ATOM 0 HD13 LEU A 84 7.790 2.107 0.239 1.00 0.00 H new ATOM 0 HD21 LEU A 84 10.290 2.655 -1.516 1.00 0.00 H new ATOM 0 HD22 LEU A 84 8.661 2.389 -2.182 1.00 0.00 H new ATOM 0 HD23 LEU A 84 9.559 3.870 -2.591 1.00 0.00 H new ATOM 1316 N ILE A 85 5.051 4.349 -2.935 1.00 0.00 N ATOM 1317 CA ILE A 85 4.173 3.502 -3.737 1.00 0.00 C ATOM 1318 C ILE A 85 4.603 3.595 -5.198 1.00 0.00 C ATOM 1319 O ILE A 85 4.755 2.553 -5.824 1.00 0.00 O ATOM 1320 CB ILE A 85 2.678 3.843 -3.513 1.00 0.00 C ATOM 1321 CG1 ILE A 85 2.194 3.524 -2.080 1.00 0.00 C ATOM 1322 CG2 ILE A 85 1.751 3.153 -4.534 1.00 0.00 C ATOM 1323 CD1 ILE A 85 2.269 2.054 -1.655 1.00 0.00 C ATOM 0 H ILE A 85 4.555 4.998 -2.323 1.00 0.00 H new ATOM 0 HA ILE A 85 4.271 2.464 -3.419 1.00 0.00 H new ATOM 0 HB ILE A 85 2.616 4.921 -3.661 1.00 0.00 H new ATOM 0 HG12 ILE A 85 2.784 4.114 -1.379 1.00 0.00 H new ATOM 0 HG13 ILE A 85 1.160 3.856 -1.985 1.00 0.00 H new ATOM 0 HG21 ILE A 85 0.716 3.427 -4.329 1.00 0.00 H new ATOM 0 HG22 ILE A 85 2.019 3.471 -5.542 1.00 0.00 H new ATOM 0 HG23 ILE A 85 1.862 2.072 -4.454 1.00 0.00 H new ATOM 0 HD11 ILE A 85 1.904 1.952 -0.633 1.00 0.00 H new ATOM 0 HD12 ILE A 85 1.654 1.450 -2.322 1.00 0.00 H new ATOM 0 HD13 ILE A 85 3.303 1.713 -1.707 1.00 0.00 H new ATOM 1335 N ASP A 86 4.828 4.795 -5.739 1.00 0.00 N ATOM 1336 CA ASP A 86 5.071 4.943 -7.176 1.00 0.00 C ATOM 1337 C ASP A 86 6.346 4.224 -7.596 1.00 0.00 C ATOM 1338 O ASP A 86 6.376 3.550 -8.625 1.00 0.00 O ATOM 1339 CB ASP A 86 5.177 6.421 -7.558 1.00 0.00 C ATOM 1340 CG ASP A 86 5.216 6.608 -9.077 1.00 0.00 C ATOM 1341 OD1 ASP A 86 4.289 6.121 -9.764 1.00 0.00 O ATOM 1342 OD2 ASP A 86 6.099 7.329 -9.593 1.00 0.00 O ATOM 0 H ASP A 86 4.847 5.668 -5.212 1.00 0.00 H new ATOM 0 HA ASP A 86 4.225 4.494 -7.696 1.00 0.00 H new ATOM 0 HB2 ASP A 86 4.328 6.966 -7.145 1.00 0.00 H new ATOM 0 HB3 ASP A 86 6.076 6.849 -7.115 1.00 0.00 H new ATOM 1347 N HIS A 87 7.396 4.342 -6.778 1.00 0.00 N ATOM 1348 CA HIS A 87 8.675 3.719 -7.062 1.00 0.00 C ATOM 1349 C HIS A 87 8.625 2.205 -6.859 1.00 0.00 C ATOM 1350 O HIS A 87 9.549 1.542 -7.306 1.00 0.00 O ATOM 1351 CB HIS A 87 9.794 4.372 -6.240 1.00 0.00 C ATOM 1352 CG HIS A 87 11.188 3.856 -6.516 1.00 0.00 C ATOM 1353 ND1 HIS A 87 12.063 4.345 -7.463 1.00 0.00 N ATOM 1354 CD2 HIS A 87 11.806 2.809 -5.883 1.00 0.00 C ATOM 1355 CE1 HIS A 87 13.177 3.598 -7.404 1.00 0.00 C ATOM 1356 NE2 HIS A 87 13.067 2.640 -6.465 1.00 0.00 N ATOM 0 H HIS A 87 7.375 4.871 -5.906 1.00 0.00 H new ATOM 0 HA HIS A 87 8.901 3.884 -8.116 1.00 0.00 H new ATOM 0 HB2 HIS A 87 9.779 5.446 -6.426 1.00 0.00 H new ATOM 0 HB3 HIS A 87 9.575 4.229 -5.182 1.00 0.00 H new ATOM 0 HD1 HIS A 87 11.895 5.130 -8.092 1.00 0.00 H new ATOM 0 HD2 HIS A 87 11.393 2.219 -5.078 1.00 0.00 H new ATOM 0 HE1 HIS A 87 14.046 3.746 -8.027 1.00 0.00 H new ATOM 1364 N LEU A 88 7.578 1.609 -6.274 1.00 0.00 N ATOM 1365 CA LEU A 88 7.396 0.160 -6.323 1.00 0.00 C ATOM 1366 C LEU A 88 6.450 -0.244 -7.450 1.00 0.00 C ATOM 1367 O LEU A 88 6.623 -1.305 -8.048 1.00 0.00 O ATOM 1368 CB LEU A 88 6.866 -0.326 -4.981 1.00 0.00 C ATOM 1369 CG LEU A 88 7.857 -0.230 -3.803 1.00 0.00 C ATOM 1370 CD1 LEU A 88 7.892 -1.585 -3.096 1.00 0.00 C ATOM 1371 CD2 LEU A 88 9.300 0.237 -4.043 1.00 0.00 C ATOM 0 H LEU A 88 6.849 2.109 -5.764 1.00 0.00 H new ATOM 0 HA LEU A 88 8.360 -0.306 -6.525 1.00 0.00 H new ATOM 0 HB2 LEU A 88 5.975 0.250 -4.732 1.00 0.00 H new ATOM 0 HB3 LEU A 88 6.554 -1.365 -5.088 1.00 0.00 H new ATOM 0 HG LEU A 88 7.448 0.594 -3.218 1.00 0.00 H new ATOM 0 HD11 LEU A 88 8.588 -1.540 -2.258 1.00 0.00 H new ATOM 0 HD12 LEU A 88 6.896 -1.829 -2.728 1.00 0.00 H new ATOM 0 HD13 LEU A 88 8.218 -2.353 -3.797 1.00 0.00 H new ATOM 0 HD21 LEU A 88 9.843 0.240 -3.098 1.00 0.00 H new ATOM 0 HD22 LEU A 88 9.790 -0.441 -4.742 1.00 0.00 H new ATOM 0 HD23 LEU A 88 9.292 1.244 -4.460 1.00 0.00 H new ATOM 1383 N LEU A 89 5.445 0.583 -7.727 1.00 0.00 N ATOM 1384 CA LEU A 89 4.358 0.297 -8.658 1.00 0.00 C ATOM 1385 C LEU A 89 4.840 0.386 -10.096 1.00 0.00 C ATOM 1386 O LEU A 89 4.465 -0.425 -10.938 1.00 0.00 O ATOM 1387 CB LEU A 89 3.210 1.272 -8.363 1.00 0.00 C ATOM 1388 CG LEU A 89 1.824 0.688 -8.652 1.00 0.00 C ATOM 1389 CD1 LEU A 89 0.796 1.348 -7.743 1.00 0.00 C ATOM 1390 CD2 LEU A 89 1.360 0.799 -10.088 1.00 0.00 C ATOM 0 H LEU A 89 5.363 1.503 -7.294 1.00 0.00 H new ATOM 0 HA LEU A 89 3.998 -0.723 -8.525 1.00 0.00 H new ATOM 0 HB2 LEU A 89 3.258 1.572 -7.316 1.00 0.00 H new ATOM 0 HB3 LEU A 89 3.347 2.174 -8.960 1.00 0.00 H new ATOM 0 HG LEU A 89 1.916 -0.380 -8.456 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -0.191 0.933 -7.948 1.00 0.00 H new ATOM 0 HD12 LEU A 89 1.059 1.162 -6.702 1.00 0.00 H new ATOM 0 HD13 LEU A 89 0.783 2.422 -7.928 1.00 0.00 H new ATOM 0 HD21 LEU A 89 0.369 0.356 -10.185 1.00 0.00 H new ATOM 0 HD22 LEU A 89 1.318 1.849 -10.377 1.00 0.00 H new ATOM 0 HD23 LEU A 89 2.058 0.272 -10.738 1.00 0.00 H new ATOM 1402 N SER A 90 5.692 1.361 -10.385 1.00 0.00 N ATOM 1403 CA SER A 90 6.149 1.590 -11.739 1.00 0.00 C ATOM 1404 C SER A 90 7.296 0.627 -12.081 1.00 0.00 C ATOM 1405 O SER A 90 7.506 0.293 -13.249 1.00 0.00 O ATOM 1406 CB SER A 90 6.580 3.060 -11.845 1.00 0.00 C ATOM 1407 OG SER A 90 6.890 3.417 -13.170 1.00 0.00 O ATOM 0 H SER A 90 6.078 2.004 -9.694 1.00 0.00 H new ATOM 0 HA SER A 90 5.353 1.397 -12.459 1.00 0.00 H new ATOM 0 HB2 SER A 90 5.781 3.701 -11.473 1.00 0.00 H new ATOM 0 HB3 SER A 90 7.449 3.231 -11.209 1.00 0.00 H new ATOM 0 HG SER A 90 7.159 4.359 -13.201 1.00 0.00 H new ATOM 1413 N THR A 91 8.060 0.208 -11.071 1.00 0.00 N ATOM 1414 CA THR A 91 9.308 -0.535 -11.221 1.00 0.00 C ATOM 1415 C THR A 91 9.018 -2.035 -11.173 1.00 0.00 C ATOM 1416 O THR A 91 9.636 -2.810 -11.903 1.00 0.00 O ATOM 1417 CB THR A 91 10.263 -0.133 -10.083 1.00 0.00 C ATOM 1418 OG1 THR A 91 9.652 -0.475 -8.860 1.00 0.00 O ATOM 1419 CG2 THR A 91 10.591 1.372 -10.075 1.00 0.00 C ATOM 0 H THR A 91 7.818 0.383 -10.096 1.00 0.00 H new ATOM 0 HA THR A 91 9.773 -0.303 -12.179 1.00 0.00 H new ATOM 0 HB THR A 91 11.204 -0.662 -10.232 1.00 0.00 H new ATOM 0 HG1 THR A 91 9.306 0.335 -8.430 1.00 0.00 H new ATOM 0 HG21 THR A 91 11.268 1.592 -9.250 1.00 0.00 H new ATOM 0 HG22 THR A 91 11.066 1.646 -11.017 1.00 0.00 H new ATOM 0 HG23 THR A 91 9.671 1.944 -9.952 1.00 0.00 H new ATOM 1427 N GLN A 92 8.010 -2.411 -10.375 1.00 0.00 N ATOM 1428 CA GLN A 92 7.662 -3.766 -9.984 1.00 0.00 C ATOM 1429 C GLN A 92 8.699 -4.304 -8.993 1.00 0.00 C ATOM 1430 O GLN A 92 9.374 -5.300 -9.262 1.00 0.00 O ATOM 1431 CB GLN A 92 7.421 -4.692 -11.197 1.00 0.00 C ATOM 1432 CG GLN A 92 6.438 -4.134 -12.235 1.00 0.00 C ATOM 1433 CD GLN A 92 5.017 -4.210 -11.709 1.00 0.00 C ATOM 1434 OE1 GLN A 92 4.330 -5.203 -11.930 1.00 0.00 O ATOM 1435 NE2 GLN A 92 4.586 -3.208 -10.968 1.00 0.00 N ATOM 0 H GLN A 92 7.379 -1.724 -9.963 1.00 0.00 H new ATOM 0 HA GLN A 92 6.701 -3.744 -9.469 1.00 0.00 H new ATOM 0 HB2 GLN A 92 8.376 -4.886 -11.686 1.00 0.00 H new ATOM 0 HB3 GLN A 92 7.046 -5.651 -10.838 1.00 0.00 H new ATOM 0 HG2 GLN A 92 6.692 -3.100 -12.467 1.00 0.00 H new ATOM 0 HG3 GLN A 92 6.520 -4.699 -13.164 1.00 0.00 H new ATOM 0 HE21 GLN A 92 5.185 -2.399 -10.806 1.00 0.00 H new ATOM 0 HE22 GLN A 92 3.653 -3.242 -10.557 1.00 0.00 H new ATOM 1444 N GLN A 93 8.825 -3.650 -7.835 1.00 0.00 N ATOM 1445 CA GLN A 93 9.713 -4.101 -6.764 1.00 0.00 C ATOM 1446 C GLN A 93 8.974 -5.014 -5.775 1.00 0.00 C ATOM 1447 O GLN A 93 7.811 -4.752 -5.465 1.00 0.00 O ATOM 1448 CB GLN A 93 10.317 -2.903 -6.027 1.00 0.00 C ATOM 1449 CG GLN A 93 11.666 -2.544 -6.647 1.00 0.00 C ATOM 1450 CD GLN A 93 12.158 -1.176 -6.196 1.00 0.00 C ATOM 1451 OE1 GLN A 93 12.350 -0.912 -5.014 1.00 0.00 O ATOM 1452 NE2 GLN A 93 12.344 -0.282 -7.145 1.00 0.00 N ATOM 0 H GLN A 93 8.315 -2.795 -7.615 1.00 0.00 H new ATOM 0 HA GLN A 93 10.518 -4.677 -7.220 1.00 0.00 H new ATOM 0 HB2 GLN A 93 9.641 -2.050 -6.084 1.00 0.00 H new ATOM 0 HB3 GLN A 93 10.443 -3.139 -4.970 1.00 0.00 H new ATOM 0 HG2 GLN A 93 12.402 -3.301 -6.376 1.00 0.00 H new ATOM 0 HG3 GLN A 93 11.580 -2.558 -7.734 1.00 0.00 H new ATOM 0 HE21 GLN A 93 12.176 -0.531 -8.120 1.00 0.00 H new ATOM 0 HE22 GLN A 93 12.656 0.659 -6.905 1.00 0.00 H new ATOM 1461 N PRO A 94 9.646 -6.062 -5.265 1.00 0.00 N ATOM 1462 CA PRO A 94 9.081 -7.057 -4.363 1.00 0.00 C ATOM 1463 C PRO A 94 8.901 -6.499 -2.958 1.00 0.00 C ATOM 1464 O PRO A 94 9.817 -5.936 -2.360 1.00 0.00 O ATOM 1465 CB PRO A 94 10.080 -8.212 -4.353 1.00 0.00 C ATOM 1466 CG PRO A 94 11.416 -7.546 -4.669 1.00 0.00 C ATOM 1467 CD PRO A 94 11.018 -6.406 -5.600 1.00 0.00 C ATOM 0 HA PRO A 94 8.092 -7.371 -4.695 1.00 0.00 H new ATOM 0 HB2 PRO A 94 10.102 -8.712 -3.385 1.00 0.00 H new ATOM 0 HB3 PRO A 94 9.825 -8.967 -5.096 1.00 0.00 H new ATOM 0 HG2 PRO A 94 11.907 -7.179 -3.768 1.00 0.00 H new ATOM 0 HG3 PRO A 94 12.108 -8.237 -5.150 1.00 0.00 H new ATOM 0 HD2 PRO A 94 11.677 -5.548 -5.467 1.00 0.00 H new ATOM 0 HD3 PRO A 94 11.098 -6.711 -6.643 1.00 0.00 H new ATOM 1475 N LEU A 95 7.742 -6.778 -2.377 1.00 0.00 N ATOM 1476 CA LEU A 95 7.371 -6.260 -1.065 1.00 0.00 C ATOM 1477 C LEU A 95 8.034 -7.005 0.094 1.00 0.00 C ATOM 1478 O LEU A 95 8.111 -6.499 1.212 1.00 0.00 O ATOM 1479 CB LEU A 95 5.865 -6.326 -0.849 1.00 0.00 C ATOM 1480 CG LEU A 95 4.984 -5.566 -1.843 1.00 0.00 C ATOM 1481 CD1 LEU A 95 3.585 -5.444 -1.241 1.00 0.00 C ATOM 1482 CD2 LEU A 95 5.469 -4.186 -2.287 1.00 0.00 C ATOM 0 H LEU A 95 7.030 -7.371 -2.803 1.00 0.00 H new ATOM 0 HA LEU A 95 7.722 -5.228 -1.065 1.00 0.00 H new ATOM 0 HB2 LEU A 95 5.567 -7.374 -0.865 1.00 0.00 H new ATOM 0 HB3 LEU A 95 5.650 -5.949 0.151 1.00 0.00 H new ATOM 0 HG LEU A 95 5.012 -6.157 -2.759 1.00 0.00 H new ATOM 0 HD11 LEU A 95 2.937 -4.905 -1.932 1.00 0.00 H new ATOM 0 HD12 LEU A 95 3.177 -6.439 -1.063 1.00 0.00 H new ATOM 0 HD13 LEU A 95 3.641 -4.901 -0.298 1.00 0.00 H new ATOM 0 HD21 LEU A 95 4.754 -3.758 -2.990 1.00 0.00 H new ATOM 0 HD22 LEU A 95 5.558 -3.535 -1.418 1.00 0.00 H new ATOM 0 HD23 LEU A 95 6.441 -4.280 -2.771 1.00 0.00 H new ATOM 1494 N THR A 96 8.463 -8.242 -0.123 1.00 0.00 N ATOM 1495 CA THR A 96 9.184 -9.004 0.868 1.00 0.00 C ATOM 1496 C THR A 96 9.950 -10.066 0.097 1.00 0.00 C ATOM 1497 O THR A 96 9.460 -10.588 -0.919 1.00 0.00 O ATOM 1498 CB THR A 96 8.182 -9.568 1.898 1.00 0.00 C ATOM 1499 OG1 THR A 96 8.761 -10.559 2.707 1.00 0.00 O ATOM 1500 CG2 THR A 96 6.924 -10.171 1.264 1.00 0.00 C ATOM 0 H THR A 96 8.315 -8.741 -1.000 1.00 0.00 H new ATOM 0 HA THR A 96 9.894 -8.414 1.448 1.00 0.00 H new ATOM 0 HB THR A 96 7.898 -8.701 2.494 1.00 0.00 H new ATOM 0 HG1 THR A 96 8.096 -10.889 3.346 1.00 0.00 H new ATOM 0 HG21 THR A 96 6.266 -10.547 2.048 1.00 0.00 H new ATOM 0 HG22 THR A 96 6.403 -9.405 0.690 1.00 0.00 H new ATOM 0 HG23 THR A 96 7.207 -10.990 0.603 1.00 0.00 H new ATOM 1508 N LYS A 97 11.116 -10.452 0.612 1.00 0.00 N ATOM 1509 CA LYS A 97 11.929 -11.544 0.088 1.00 0.00 C ATOM 1510 C LYS A 97 11.301 -12.916 0.340 1.00 0.00 C ATOM 1511 O LYS A 97 11.972 -13.941 0.199 1.00 0.00 O ATOM 1512 CB LYS A 97 13.367 -11.402 0.618 1.00 0.00 C ATOM 1513 CG LYS A 97 14.351 -11.264 -0.548 1.00 0.00 C ATOM 1514 CD LYS A 97 14.163 -9.944 -1.315 1.00 0.00 C ATOM 1515 CE LYS A 97 15.252 -9.842 -2.378 1.00 0.00 C ATOM 1516 NZ LYS A 97 14.826 -9.006 -3.513 1.00 0.00 N ATOM 0 H LYS A 97 11.531 -10.001 1.427 1.00 0.00 H new ATOM 0 HA LYS A 97 11.971 -11.474 -0.999 1.00 0.00 H new ATOM 0 HB2 LYS A 97 13.438 -10.530 1.268 1.00 0.00 H new ATOM 0 HB3 LYS A 97 13.627 -12.272 1.222 1.00 0.00 H new ATOM 0 HG2 LYS A 97 15.371 -11.319 -0.168 1.00 0.00 H new ATOM 0 HG3 LYS A 97 14.220 -12.102 -1.233 1.00 0.00 H new ATOM 0 HD2 LYS A 97 13.177 -9.913 -1.779 1.00 0.00 H new ATOM 0 HD3 LYS A 97 14.221 -9.097 -0.631 1.00 0.00 H new ATOM 0 HE2 LYS A 97 16.155 -9.422 -1.935 1.00 0.00 H new ATOM 0 HE3 LYS A 97 15.506 -10.840 -2.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 15.380 -9.257 -4.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 13.816 -9.166 -3.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 14.980 -8.004 -3.283 1.00 0.00 H new ATOM 1530 N LYS A 98 10.025 -12.950 0.722 1.00 0.00 N ATOM 1531 CA LYS A 98 9.269 -14.150 1.020 1.00 0.00 C ATOM 1532 C LYS A 98 7.997 -14.293 0.196 1.00 0.00 C ATOM 1533 O LYS A 98 7.445 -15.392 0.188 1.00 0.00 O ATOM 1534 CB LYS A 98 8.946 -14.136 2.520 1.00 0.00 C ATOM 1535 CG LYS A 98 10.151 -14.548 3.373 1.00 0.00 C ATOM 1536 CD LYS A 98 10.406 -16.054 3.241 1.00 0.00 C ATOM 1537 CE LYS A 98 11.896 -16.374 3.324 1.00 0.00 C ATOM 1538 NZ LYS A 98 12.148 -17.768 2.909 1.00 0.00 N ATOM 0 H LYS A 98 9.472 -12.100 0.835 1.00 0.00 H new ATOM 0 HA LYS A 98 9.878 -15.013 0.752 1.00 0.00 H new ATOM 0 HB2 LYS A 98 8.621 -13.137 2.811 1.00 0.00 H new ATOM 0 HB3 LYS A 98 8.114 -14.812 2.718 1.00 0.00 H new ATOM 0 HG2 LYS A 98 11.035 -13.994 3.058 1.00 0.00 H new ATOM 0 HG3 LYS A 98 9.970 -14.293 4.417 1.00 0.00 H new ATOM 0 HD2 LYS A 98 9.873 -16.586 4.030 1.00 0.00 H new ATOM 0 HD3 LYS A 98 10.008 -16.410 2.291 1.00 0.00 H new ATOM 0 HE2 LYS A 98 12.457 -15.691 2.686 1.00 0.00 H new ATOM 0 HE3 LYS A 98 12.251 -16.222 4.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 13.166 -17.970 2.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 11.628 -18.416 3.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 11.828 -17.902 1.929 1.00 0.00 H new ATOM 1552 N SER A 99 7.525 -13.239 -0.473 1.00 0.00 N ATOM 1553 CA SER A 99 6.341 -13.308 -1.326 1.00 0.00 C ATOM 1554 C SER A 99 6.529 -12.602 -2.674 1.00 0.00 C ATOM 1555 O SER A 99 5.630 -12.702 -3.510 1.00 0.00 O ATOM 1556 CB SER A 99 5.114 -12.741 -0.598 1.00 0.00 C ATOM 1557 OG SER A 99 4.771 -13.475 0.563 1.00 0.00 O ATOM 0 H SER A 99 7.954 -12.314 -0.437 1.00 0.00 H new ATOM 0 HA SER A 99 6.180 -14.364 -1.541 1.00 0.00 H new ATOM 0 HB2 SER A 99 5.309 -11.705 -0.322 1.00 0.00 H new ATOM 0 HB3 SER A 99 4.264 -12.734 -1.281 1.00 0.00 H new ATOM 0 HG SER A 99 4.506 -12.856 1.275 1.00 0.00 H new ATOM 1563 N GLY A 100 7.634 -11.878 -2.901 1.00 0.00 N ATOM 1564 CA GLY A 100 8.032 -11.326 -4.201 1.00 0.00 C ATOM 1565 C GLY A 100 7.099 -10.272 -4.786 1.00 0.00 C ATOM 1566 O GLY A 100 7.377 -9.748 -5.861 1.00 0.00 O ATOM 0 H GLY A 100 8.297 -11.654 -2.159 1.00 0.00 H new ATOM 0 HA2 GLY A 100 9.026 -10.889 -4.101 1.00 0.00 H new ATOM 0 HA3 GLY A 100 8.115 -12.147 -4.913 1.00 0.00 H new ATOM 1570 N VAL A 101 6.019 -9.948 -4.080 1.00 0.00 N ATOM 1571 CA VAL A 101 4.873 -9.234 -4.591 1.00 0.00 C ATOM 1572 C VAL A 101 5.234 -7.873 -5.144 1.00 0.00 C ATOM 1573 O VAL A 101 5.952 -7.140 -4.486 1.00 0.00 O ATOM 1574 CB VAL A 101 3.758 -9.264 -3.533 1.00 0.00 C ATOM 1575 CG1 VAL A 101 4.032 -9.297 -2.027 1.00 0.00 C ATOM 1576 CG2 VAL A 101 2.598 -8.304 -3.802 1.00 0.00 C ATOM 0 H VAL A 101 5.924 -10.191 -3.094 1.00 0.00 H new ATOM 0 HA VAL A 101 4.473 -9.736 -5.472 1.00 0.00 H new ATOM 0 HB VAL A 101 3.515 -10.308 -3.732 1.00 0.00 H new ATOM 0 HG11 VAL A 101 3.086 -9.314 -1.485 1.00 0.00 H new ATOM 0 HG12 VAL A 101 4.607 -10.190 -1.781 1.00 0.00 H new ATOM 0 HG13 VAL A 101 4.598 -8.411 -1.741 1.00 0.00 H new ATOM 0 HG21 VAL A 101 1.860 -8.393 -3.005 1.00 0.00 H new ATOM 0 HG22 VAL A 101 2.973 -7.281 -3.836 1.00 0.00 H new ATOM 0 HG23 VAL A 101 2.134 -8.553 -4.756 1.00 0.00 H new ATOM 1586 N VAL A 102 4.754 -7.533 -6.336 1.00 0.00 N ATOM 1587 CA VAL A 102 5.034 -6.250 -6.959 1.00 0.00 C ATOM 1588 C VAL A 102 3.715 -5.499 -7.056 1.00 0.00 C ATOM 1589 O VAL A 102 2.708 -6.103 -7.425 1.00 0.00 O ATOM 1590 CB VAL A 102 5.754 -6.446 -8.303 1.00 0.00 C ATOM 1591 CG1 VAL A 102 7.064 -7.225 -8.124 1.00 0.00 C ATOM 1592 CG2 VAL A 102 4.937 -7.148 -9.380 1.00 0.00 C ATOM 0 H VAL A 102 4.159 -8.143 -6.896 1.00 0.00 H new ATOM 0 HA VAL A 102 5.723 -5.649 -6.366 1.00 0.00 H new ATOM 0 HB VAL A 102 5.937 -5.428 -8.647 1.00 0.00 H new ATOM 0 HG11 VAL A 102 7.550 -7.347 -9.092 1.00 0.00 H new ATOM 0 HG12 VAL A 102 7.725 -6.676 -7.453 1.00 0.00 H new ATOM 0 HG13 VAL A 102 6.849 -8.206 -7.699 1.00 0.00 H new ATOM 0 HG21 VAL A 102 5.533 -7.238 -10.288 1.00 0.00 H new ATOM 0 HG22 VAL A 102 4.654 -8.141 -9.032 1.00 0.00 H new ATOM 0 HG23 VAL A 102 4.039 -6.568 -9.591 1.00 0.00 H new ATOM 1602 N LEU A 103 3.684 -4.233 -6.632 1.00 0.00 N ATOM 1603 CA LEU A 103 2.452 -3.439 -6.606 1.00 0.00 C ATOM 1604 C LEU A 103 1.942 -3.293 -8.031 1.00 0.00 C ATOM 1605 O LEU A 103 2.717 -2.912 -8.904 1.00 0.00 O ATOM 1606 CB LEU A 103 2.650 -2.033 -6.027 1.00 0.00 C ATOM 1607 CG LEU A 103 3.226 -1.924 -4.612 1.00 0.00 C ATOM 1608 CD1 LEU A 103 3.201 -0.461 -4.165 1.00 0.00 C ATOM 1609 CD2 LEU A 103 2.423 -2.752 -3.604 1.00 0.00 C ATOM 0 H LEU A 103 4.507 -3.731 -6.299 1.00 0.00 H new ATOM 0 HA LEU A 103 1.746 -3.964 -5.963 1.00 0.00 H new ATOM 0 HB2 LEU A 103 3.306 -1.482 -6.700 1.00 0.00 H new ATOM 0 HB3 LEU A 103 1.685 -1.526 -6.037 1.00 0.00 H new ATOM 0 HG LEU A 103 4.246 -2.307 -4.641 1.00 0.00 H new ATOM 0 HD11 LEU A 103 3.611 -0.381 -3.158 1.00 0.00 H new ATOM 0 HD12 LEU A 103 3.801 0.139 -4.849 1.00 0.00 H new ATOM 0 HD13 LEU A 103 2.174 -0.097 -4.169 1.00 0.00 H new ATOM 0 HD21 LEU A 103 2.865 -2.647 -2.613 1.00 0.00 H new ATOM 0 HD22 LEU A 103 1.392 -2.398 -3.581 1.00 0.00 H new ATOM 0 HD23 LEU A 103 2.440 -3.801 -3.899 1.00 0.00 H new ATOM 1621 N HIS A 104 0.653 -3.528 -8.253 1.00 0.00 N ATOM 1622 CA HIS A 104 0.078 -3.496 -9.593 1.00 0.00 C ATOM 1623 C HIS A 104 -1.115 -2.555 -9.669 1.00 0.00 C ATOM 1624 O HIS A 104 -1.213 -1.765 -10.607 1.00 0.00 O ATOM 1625 CB HIS A 104 -0.309 -4.920 -10.029 1.00 0.00 C ATOM 1626 CG HIS A 104 0.399 -5.463 -11.242 1.00 0.00 C ATOM 1627 ND1 HIS A 104 1.122 -4.753 -12.178 1.00 0.00 N ATOM 1628 CD2 HIS A 104 0.388 -6.774 -11.633 1.00 0.00 C ATOM 1629 CE1 HIS A 104 1.544 -5.619 -13.108 1.00 0.00 C ATOM 1630 NE2 HIS A 104 1.117 -6.865 -12.824 1.00 0.00 N ATOM 0 H HIS A 104 -0.018 -3.744 -7.516 1.00 0.00 H new ATOM 0 HA HIS A 104 0.831 -3.110 -10.280 1.00 0.00 H new ATOM 0 HB2 HIS A 104 -0.124 -5.596 -9.194 1.00 0.00 H new ATOM 0 HB3 HIS A 104 -1.382 -4.939 -10.222 1.00 0.00 H new ATOM 0 HD2 HIS A 104 -0.095 -7.590 -11.116 1.00 0.00 H new ATOM 0 HE1 HIS A 104 2.144 -5.355 -13.967 1.00 0.00 H new ATOM 0 HE2 HIS A 104 1.291 -7.709 -13.370 1.00 0.00 H new ATOM 1638 N ARG A 105 -2.052 -2.615 -8.722 1.00 0.00 N ATOM 1639 CA ARG A 105 -3.311 -1.894 -8.842 1.00 0.00 C ATOM 1640 C ARG A 105 -3.745 -1.362 -7.494 1.00 0.00 C ATOM 1641 O ARG A 105 -3.615 -2.033 -6.482 1.00 0.00 O ATOM 1642 CB ARG A 105 -4.378 -2.828 -9.398 1.00 0.00 C ATOM 1643 CG ARG A 105 -5.676 -2.116 -9.794 1.00 0.00 C ATOM 1644 CD ARG A 105 -5.564 -1.476 -11.174 1.00 0.00 C ATOM 1645 NE ARG A 105 -6.901 -1.266 -11.734 1.00 0.00 N ATOM 1646 CZ ARG A 105 -7.238 -0.432 -12.713 1.00 0.00 C ATOM 1647 NH1 ARG A 105 -6.344 0.303 -13.359 1.00 0.00 N ATOM 1648 NH2 ARG A 105 -8.508 -0.324 -13.054 1.00 0.00 N ATOM 0 H ARG A 105 -1.959 -3.158 -7.863 1.00 0.00 H new ATOM 0 HA ARG A 105 -3.174 -1.051 -9.520 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -3.977 -3.345 -10.270 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -4.605 -3.590 -8.653 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -6.500 -2.830 -9.789 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -5.912 -1.351 -9.055 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -5.036 -0.525 -11.102 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -4.979 -2.116 -11.835 1.00 0.00 H new ATOM 0 HE ARG A 105 -7.656 -1.820 -11.329 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -5.357 0.240 -13.110 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -6.643 0.931 -14.105 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -9.215 -0.876 -12.569 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -8.783 0.311 -13.803 1.00 0.00 H new ATOM 1662 N ALA A 106 -4.299 -0.166 -7.489 1.00 0.00 N ATOM 1663 CA ALA A 106 -4.831 0.475 -6.305 1.00 0.00 C ATOM 1664 C ALA A 106 -6.350 0.327 -6.328 1.00 0.00 C ATOM 1665 O ALA A 106 -6.980 0.574 -7.363 1.00 0.00 O ATOM 1666 CB ALA A 106 -4.392 1.938 -6.334 1.00 0.00 C ATOM 0 H ALA A 106 -4.394 0.401 -8.331 1.00 0.00 H new ATOM 0 HA ALA A 106 -4.463 0.023 -5.384 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -4.778 2.451 -5.453 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -3.303 1.991 -6.338 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -4.782 2.417 -7.232 1.00 0.00 H new ATOM 1672 N VAL A 107 -6.955 -0.047 -5.204 1.00 0.00 N ATOM 1673 CA VAL A 107 -8.400 0.066 -5.010 1.00 0.00 C ATOM 1674 C VAL A 107 -8.698 1.533 -4.673 1.00 0.00 C ATOM 1675 O VAL A 107 -8.162 2.037 -3.694 1.00 0.00 O ATOM 1676 CB VAL A 107 -8.866 -0.866 -3.880 1.00 0.00 C ATOM 1677 CG1 VAL A 107 -10.399 -0.935 -3.864 1.00 0.00 C ATOM 1678 CG2 VAL A 107 -8.314 -2.291 -3.995 1.00 0.00 C ATOM 0 H VAL A 107 -6.459 -0.437 -4.402 1.00 0.00 H new ATOM 0 HA VAL A 107 -8.937 -0.232 -5.910 1.00 0.00 H new ATOM 0 HB VAL A 107 -8.478 -0.440 -2.955 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -10.725 -1.597 -3.062 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -10.806 0.063 -3.700 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -10.756 -1.320 -4.819 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -8.684 -2.893 -3.165 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -8.640 -2.733 -4.937 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -7.225 -2.263 -3.965 1.00 0.00 H new ATOM 1688 N PRO A 108 -9.519 2.246 -5.454 1.00 0.00 N ATOM 1689 CA PRO A 108 -9.947 3.588 -5.114 1.00 0.00 C ATOM 1690 C PRO A 108 -11.097 3.589 -4.098 1.00 0.00 C ATOM 1691 O PRO A 108 -12.223 3.205 -4.423 1.00 0.00 O ATOM 1692 CB PRO A 108 -10.330 4.224 -6.444 1.00 0.00 C ATOM 1693 CG PRO A 108 -10.796 3.030 -7.292 1.00 0.00 C ATOM 1694 CD PRO A 108 -10.192 1.787 -6.650 1.00 0.00 C ATOM 0 HA PRO A 108 -9.160 4.155 -4.617 1.00 0.00 H new ATOM 0 HB2 PRO A 108 -11.122 4.963 -6.322 1.00 0.00 H new ATOM 0 HB3 PRO A 108 -9.484 4.736 -6.902 1.00 0.00 H new ATOM 0 HG2 PRO A 108 -11.884 2.968 -7.311 1.00 0.00 H new ATOM 0 HG3 PRO A 108 -10.464 3.134 -8.325 1.00 0.00 H new ATOM 0 HD2 PRO A 108 -10.965 1.058 -6.408 1.00 0.00 H new ATOM 0 HD3 PRO A 108 -9.493 1.297 -7.328 1.00 0.00 H new ATOM 1702 N SER A 109 -10.822 4.082 -2.892 1.00 0.00 N ATOM 1703 CA SER A 109 -11.778 4.296 -1.808 1.00 0.00 C ATOM 1704 C SER A 109 -12.342 5.732 -1.811 1.00 0.00 C ATOM 1705 O SER A 109 -13.343 6.012 -1.140 1.00 0.00 O ATOM 1706 CB SER A 109 -11.073 3.954 -0.491 1.00 0.00 C ATOM 1707 OG SER A 109 -11.990 3.527 0.497 1.00 0.00 O ATOM 0 H SER A 109 -9.875 4.358 -2.631 1.00 0.00 H new ATOM 0 HA SER A 109 -12.644 3.647 -1.942 1.00 0.00 H new ATOM 0 HB2 SER A 109 -10.335 3.171 -0.666 1.00 0.00 H new ATOM 0 HB3 SER A 109 -10.531 4.828 -0.131 1.00 0.00 H new ATOM 0 HG SER A 109 -11.868 2.569 0.664 1.00 0.00 H new ATOM 1713 N GLY A 110 -11.761 6.634 -2.611 1.00 0.00 N ATOM 1714 CA GLY A 110 -12.185 8.019 -2.780 1.00 0.00 C ATOM 1715 C GLY A 110 -11.132 9.003 -2.258 1.00 0.00 C ATOM 1716 O GLY A 110 -10.128 8.586 -1.683 1.00 0.00 O ATOM 0 H GLY A 110 -10.947 6.403 -3.181 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -12.375 8.215 -3.835 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -13.125 8.179 -2.252 1.00 0.00 H new ATOM 1720 N PRO A 111 -11.339 10.318 -2.443 1.00 0.00 N ATOM 1721 CA PRO A 111 -10.363 11.349 -2.089 1.00 0.00 C ATOM 1722 C PRO A 111 -10.337 11.694 -0.594 1.00 0.00 C ATOM 1723 O PRO A 111 -9.476 12.468 -0.176 1.00 0.00 O ATOM 1724 CB PRO A 111 -10.790 12.569 -2.911 1.00 0.00 C ATOM 1725 CG PRO A 111 -12.310 12.422 -2.983 1.00 0.00 C ATOM 1726 CD PRO A 111 -12.491 10.911 -3.109 1.00 0.00 C ATOM 0 HA PRO A 111 -9.351 11.004 -2.302 1.00 0.00 H new ATOM 0 HB2 PRO A 111 -10.497 13.502 -2.430 1.00 0.00 H new ATOM 0 HB3 PRO A 111 -10.337 12.566 -3.902 1.00 0.00 H new ATOM 0 HG2 PRO A 111 -12.798 12.816 -2.092 1.00 0.00 H new ATOM 0 HG3 PRO A 111 -12.729 12.953 -3.837 1.00 0.00 H new ATOM 0 HD2 PRO A 111 -13.422 10.588 -2.643 1.00 0.00 H new ATOM 0 HD3 PRO A 111 -12.537 10.608 -4.155 1.00 0.00 H new ATOM 1734 N SER A 112 -11.274 11.187 0.209 1.00 0.00 N ATOM 1735 CA SER A 112 -11.374 11.437 1.644 1.00 0.00 C ATOM 1736 C SER A 112 -11.388 10.091 2.359 1.00 0.00 C ATOM 1737 O SER A 112 -11.747 9.079 1.749 1.00 0.00 O ATOM 1738 CB SER A 112 -12.639 12.268 1.932 1.00 0.00 C ATOM 1739 OG SER A 112 -12.347 13.363 2.777 1.00 0.00 O ATOM 0 H SER A 112 -12.009 10.570 -0.136 1.00 0.00 H new ATOM 0 HA SER A 112 -10.523 12.012 2.009 1.00 0.00 H new ATOM 0 HB2 SER A 112 -13.061 12.630 0.995 1.00 0.00 H new ATOM 0 HB3 SER A 112 -13.395 11.636 2.399 1.00 0.00 H new ATOM 0 HG SER A 112 -13.166 13.875 2.943 1.00 0.00 H new ATOM 1745 N SER A 113 -11.000 10.069 3.630 1.00 0.00 N ATOM 1746 CA SER A 113 -10.716 8.832 4.344 1.00 0.00 C ATOM 1747 C SER A 113 -11.000 8.975 5.836 1.00 0.00 C ATOM 1748 O SER A 113 -11.162 10.089 6.345 1.00 0.00 O ATOM 1749 CB SER A 113 -9.248 8.434 4.083 1.00 0.00 C ATOM 1750 OG SER A 113 -8.378 9.560 4.075 1.00 0.00 O ATOM 0 H SER A 113 -10.874 10.910 4.193 1.00 0.00 H new ATOM 0 HA SER A 113 -11.372 8.043 3.977 1.00 0.00 H new ATOM 0 HB2 SER A 113 -8.922 7.731 4.850 1.00 0.00 H new ATOM 0 HB3 SER A 113 -9.178 7.917 3.126 1.00 0.00 H new ATOM 0 HG SER A 113 -7.473 9.276 4.320 1.00 0.00 H new ATOM 1756 N GLY A 114 -10.992 7.843 6.543 1.00 0.00 N ATOM 1757 CA GLY A 114 -11.160 7.809 7.985 1.00 0.00 C ATOM 1758 C GLY A 114 -12.605 7.992 8.391 1.00 0.00 C ATOM 1759 O GLY A 114 -13.504 7.971 7.526 1.00 0.00 O ATOM 0 H GLY A 114 -10.868 6.922 6.122 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -10.793 6.858 8.371 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -10.554 8.593 8.439 1.00 0.00 H new TER 1763 GLY A 114