USER MOD reduce.3.24.130724 H: found=0, std=0, add=731, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 731 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 8 SER OG : rot 127:sc= -1.42! USER MOD Set 1.2: A 23 CYS SG : rot 60:sc= -1.8 USER MOD Set 2.1: A 9 ASN :FLIP amide:sc= -1.96 F(o=-5.4,f=-2.6) USER MOD Set 2.2: A 10 ASN : amide:sc= -0.648 K(o=-2.6,f=-4.4) USER MOD Set 3.1: A 5 HIS : no HE2:sc= -3.62! C(o=-12!,f=-13!) USER MOD Set 3.2: A 92 ASN : amide:sc= -7.51! C(o=-12!,f=-25!) USER MOD Set 3.3: A 94 SER OG : rot -30:sc= -1.06 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -124:sc= -0.102 (180deg=-0.929) USER MOD Single : A 3 ASN :FLIP amide:sc= -0.0617 F(o=-0.68,f=-0.062) USER MOD Single : A 7 SER OG : rot -47:sc= 0.903 USER MOD Single : A 17 HIS : no HE2:sc= -6.86! C(o=-6.9!,f=-11!) USER MOD Single : A 20 HIS : no HE2:sc= -8.34! C(o=-8.3!,f=-11!) USER MOD Single : A 25 ASN : amide:sc= -0.972 X(o=-0.97,f=-1.3) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 131:sc= -0.118 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 TYR OH : rot 87:sc= 0.332 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= -6.71! C(o=-6.7!,f=-16!) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 54 ASN :FLIP amide:sc= -0.433 F(o=-1.6,f=-0.43) USER MOD Single : A 56 SER OG : rot 180:sc= -0.183 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 ASN : amide:sc= -1.71! C(o=-1.7!,f=-2.1!) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= -0.594 X(o=-0.59,f=-0.2) USER MOD Single : A 80 ASN : amide:sc= -1.84 K(o=-1.8,f=-2.6!) USER MOD Single : A 82 MET CE :methyl -146:sc= 0 (180deg=-1.28) USER MOD Single : A 90 ASN : amide:sc= -0.951 X(o=-0.95,f=-0.48) USER MOD Single : A 99 ASN : amide:sc= -1.34 K(o=-1.3,f=-4.4!) USER MOD Single : A 101 CYS SG : rot -49:sc= -0.354 USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -5.607 -12.112 -4.173 1.00 0.00 N ATOM 2 CA MET A 1 -4.666 -10.964 -4.253 1.00 0.00 C ATOM 3 C MET A 1 -5.383 -9.644 -3.987 1.00 0.00 C ATOM 4 O MET A 1 -6.571 -9.626 -3.664 1.00 0.00 O ATOM 5 CB MET A 1 -4.033 -10.950 -5.646 1.00 0.00 C ATOM 6 CG MET A 1 -2.958 -12.007 -5.837 1.00 0.00 C ATOM 7 SD MET A 1 -1.791 -11.582 -7.145 1.00 0.00 S ATOM 8 CE MET A 1 -1.032 -13.175 -7.453 1.00 0.00 C ATOM 0 H1 MET A 1 -5.258 -12.799 -3.474 1.00 0.00 H new ATOM 0 H2 MET A 1 -6.546 -11.771 -3.884 1.00 0.00 H new ATOM 0 H3 MET A 1 -5.676 -12.570 -5.104 1.00 0.00 H new ATOM 0 HA MET A 1 -3.896 -11.078 -3.490 1.00 0.00 H new ATOM 0 HB2 MET A 1 -4.814 -11.099 -6.392 1.00 0.00 H new ATOM 0 HB3 MET A 1 -3.600 -9.967 -5.829 1.00 0.00 H new ATOM 0 HG2 MET A 1 -2.416 -12.141 -4.901 1.00 0.00 H new ATOM 0 HG3 MET A 1 -3.430 -12.961 -6.072 1.00 0.00 H new ATOM 0 HE1 MET A 1 -0.285 -13.076 -8.240 1.00 0.00 H new ATOM 0 HE2 MET A 1 -0.553 -13.532 -6.541 1.00 0.00 H new ATOM 0 HE3 MET A 1 -1.796 -13.888 -7.765 1.00 0.00 H new ATOM 20 N GLY A 2 -4.655 -8.541 -4.128 1.00 0.00 N ATOM 21 CA GLY A 2 -5.239 -7.234 -3.902 1.00 0.00 C ATOM 22 C GLY A 2 -5.828 -6.643 -5.160 1.00 0.00 C ATOM 23 O GLY A 2 -5.420 -5.575 -5.616 1.00 0.00 O ATOM 0 H GLY A 2 -3.671 -8.530 -4.395 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -6.016 -7.313 -3.142 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -4.477 -6.561 -3.510 1.00 0.00 H new ATOM 27 N ASN A 3 -6.808 -7.343 -5.702 1.00 0.00 N ATOM 28 CA ASN A 3 -7.506 -6.914 -6.901 1.00 0.00 C ATOM 29 C ASN A 3 -8.170 -5.555 -6.688 1.00 0.00 C ATOM 30 O ASN A 3 -8.591 -4.907 -7.645 1.00 0.00 O ATOM 31 CB ASN A 3 -8.549 -7.954 -7.301 1.00 0.00 C ATOM 32 CG ASN A 3 -7.968 -9.059 -8.163 1.00 0.00 C ATOM 33 OD1 ASN A 3 -7.277 -8.677 -9.231 1.00 0.00 O flip ATOM 34 ND2 ASN A 3 -8.139 -10.243 -7.873 1.00 0.00 N flip ATOM 0 H ASN A 3 -7.144 -8.228 -5.322 1.00 0.00 H new ATOM 0 HA ASN A 3 -6.777 -6.814 -7.705 1.00 0.00 H new ATOM 0 HB2 ASN A 3 -8.985 -8.390 -6.402 1.00 0.00 H new ATOM 0 HB3 ASN A 3 -9.358 -7.463 -7.842 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -8.677 -10.492 -7.043 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -7.743 -10.975 -8.463 1.00 0.00 H new ATOM 41 N PHE A 4 -8.292 -5.140 -5.424 1.00 0.00 N ATOM 42 CA PHE A 4 -8.941 -3.876 -5.093 1.00 0.00 C ATOM 43 C PHE A 4 -8.457 -2.747 -6.000 1.00 0.00 C ATOM 44 O PHE A 4 -9.212 -1.828 -6.317 1.00 0.00 O ATOM 45 CB PHE A 4 -8.675 -3.515 -3.624 1.00 0.00 C ATOM 46 CG PHE A 4 -7.470 -2.636 -3.416 1.00 0.00 C ATOM 47 CD1 PHE A 4 -6.195 -3.107 -3.688 1.00 0.00 C ATOM 48 CD2 PHE A 4 -7.615 -1.337 -2.956 1.00 0.00 C ATOM 49 CE1 PHE A 4 -5.088 -2.298 -3.505 1.00 0.00 C ATOM 50 CE2 PHE A 4 -6.512 -0.524 -2.770 1.00 0.00 C ATOM 51 CZ PHE A 4 -5.248 -1.006 -3.045 1.00 0.00 C ATOM 0 H PHE A 4 -7.950 -5.662 -4.617 1.00 0.00 H new ATOM 0 HA PHE A 4 -10.013 -4.000 -5.248 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -9.553 -3.011 -3.220 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -8.544 -4.434 -3.053 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -6.064 -4.117 -4.047 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -8.602 -0.955 -2.740 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -4.100 -2.676 -3.722 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -6.639 0.486 -2.410 1.00 0.00 H new ATOM 0 HZ PHE A 4 -4.385 -0.373 -2.900 1.00 0.00 H new ATOM 61 N HIS A 5 -7.201 -2.824 -6.416 1.00 0.00 N ATOM 62 CA HIS A 5 -6.628 -1.809 -7.287 1.00 0.00 C ATOM 63 C HIS A 5 -7.329 -1.795 -8.642 1.00 0.00 C ATOM 64 O HIS A 5 -7.529 -0.738 -9.239 1.00 0.00 O ATOM 65 CB HIS A 5 -5.126 -2.054 -7.465 1.00 0.00 C ATOM 66 CG HIS A 5 -4.784 -2.970 -8.603 1.00 0.00 C ATOM 67 ND1 HIS A 5 -4.327 -2.515 -9.821 1.00 0.00 N ATOM 68 CD2 HIS A 5 -4.838 -4.320 -8.704 1.00 0.00 C ATOM 69 CE1 HIS A 5 -4.116 -3.543 -10.623 1.00 0.00 C ATOM 70 NE2 HIS A 5 -4.418 -4.649 -9.969 1.00 0.00 N ATOM 0 H HIS A 5 -6.561 -3.577 -6.165 1.00 0.00 H new ATOM 0 HA HIS A 5 -6.774 -0.835 -6.821 1.00 0.00 H new ATOM 0 HB2 HIS A 5 -4.629 -1.097 -7.622 1.00 0.00 H new ATOM 0 HB3 HIS A 5 -4.726 -2.474 -6.542 1.00 0.00 H new ATOM 0 HD1 HIS A 5 -4.175 -1.536 -10.065 1.00 0.00 H new ATOM 0 HD2 HIS A 5 -5.153 -5.008 -7.934 1.00 0.00 H new ATOM 0 HE1 HIS A 5 -3.758 -3.488 -11.640 1.00 0.00 H new ATOM 79 N GLU A 6 -7.695 -2.979 -9.122 1.00 0.00 N ATOM 80 CA GLU A 6 -8.368 -3.104 -10.409 1.00 0.00 C ATOM 81 C GLU A 6 -9.845 -2.732 -10.299 1.00 0.00 C ATOM 82 O GLU A 6 -10.472 -2.347 -11.286 1.00 0.00 O ATOM 83 CB GLU A 6 -8.212 -4.529 -10.949 1.00 0.00 C ATOM 84 CG GLU A 6 -9.076 -5.562 -10.238 1.00 0.00 C ATOM 85 CD GLU A 6 -9.907 -6.390 -11.200 1.00 0.00 C ATOM 86 OE1 GLU A 6 -10.952 -5.889 -11.665 1.00 0.00 O ATOM 87 OE2 GLU A 6 -9.511 -7.539 -11.489 1.00 0.00 O ATOM 0 H GLU A 6 -7.537 -3.864 -8.640 1.00 0.00 H new ATOM 0 HA GLU A 6 -7.901 -2.409 -11.106 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -8.460 -4.533 -12.010 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -7.167 -4.826 -10.864 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -8.437 -6.224 -9.653 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -9.738 -5.055 -9.536 1.00 0.00 H new ATOM 94 N SER A 7 -10.395 -2.852 -9.095 1.00 0.00 N ATOM 95 CA SER A 7 -11.798 -2.528 -8.862 1.00 0.00 C ATOM 96 C SER A 7 -11.944 -1.237 -8.061 1.00 0.00 C ATOM 97 O SER A 7 -12.998 -0.974 -7.482 1.00 0.00 O ATOM 98 CB SER A 7 -12.491 -3.677 -8.127 1.00 0.00 C ATOM 99 OG SER A 7 -13.882 -3.437 -8.002 1.00 0.00 O ATOM 0 H SER A 7 -9.892 -3.171 -8.267 1.00 0.00 H new ATOM 0 HA SER A 7 -12.272 -2.382 -9.832 1.00 0.00 H new ATOM 0 HB2 SER A 7 -12.327 -4.610 -8.667 1.00 0.00 H new ATOM 0 HB3 SER A 7 -12.049 -3.799 -7.138 1.00 0.00 H new ATOM 0 HG SER A 7 -14.029 -2.522 -7.684 1.00 0.00 H new ATOM 105 N SER A 8 -10.885 -0.431 -8.029 1.00 0.00 N ATOM 106 CA SER A 8 -10.913 0.829 -7.295 1.00 0.00 C ATOM 107 C SER A 8 -10.363 1.970 -8.143 1.00 0.00 C ATOM 108 O SER A 8 -9.566 1.753 -9.056 1.00 0.00 O ATOM 109 CB SER A 8 -10.110 0.712 -5.999 1.00 0.00 C ATOM 110 OG SER A 8 -10.208 1.897 -5.229 1.00 0.00 O ATOM 0 H SER A 8 -10.002 -0.628 -8.500 1.00 0.00 H new ATOM 0 HA SER A 8 -11.952 1.049 -7.052 1.00 0.00 H new ATOM 0 HB2 SER A 8 -10.474 -0.135 -5.417 1.00 0.00 H new ATOM 0 HB3 SER A 8 -9.064 0.512 -6.232 1.00 0.00 H new ATOM 0 HG SER A 8 -10.502 1.674 -4.321 1.00 0.00 H new ATOM 116 N ASN A 9 -10.793 3.187 -7.830 1.00 0.00 N ATOM 117 CA ASN A 9 -10.347 4.369 -8.554 1.00 0.00 C ATOM 118 C ASN A 9 -9.651 5.343 -7.610 1.00 0.00 C ATOM 119 O ASN A 9 -9.836 5.286 -6.395 1.00 0.00 O ATOM 120 CB ASN A 9 -11.533 5.051 -9.240 1.00 0.00 C ATOM 121 CG ASN A 9 -11.169 6.392 -9.846 1.00 0.00 C ATOM 122 OD1 ASN A 9 -11.120 7.421 -9.009 1.00 0.00 O flip ATOM 123 ND2 ASN A 9 -10.935 6.501 -11.049 1.00 0.00 N flip ATOM 0 H ASN A 9 -11.453 3.380 -7.076 1.00 0.00 H new ATOM 0 HA ASN A 9 -9.634 4.058 -9.317 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -11.920 4.397 -10.022 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -12.335 5.191 -8.515 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -10.985 5.682 -11.655 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -10.691 7.411 -11.441 1.00 0.00 H new ATOM 130 N ASN A 10 -8.850 6.234 -8.179 1.00 0.00 N ATOM 131 CA ASN A 10 -8.124 7.222 -7.389 1.00 0.00 C ATOM 132 C ASN A 10 -7.211 6.538 -6.374 1.00 0.00 C ATOM 133 O ASN A 10 -7.318 6.772 -5.170 1.00 0.00 O ATOM 134 CB ASN A 10 -9.105 8.150 -6.669 1.00 0.00 C ATOM 135 CG ASN A 10 -9.539 9.317 -7.533 1.00 0.00 C ATOM 136 OD1 ASN A 10 -9.217 9.381 -8.719 1.00 0.00 O ATOM 137 ND2 ASN A 10 -10.276 10.250 -6.941 1.00 0.00 N ATOM 0 H ASN A 10 -8.686 6.294 -9.184 1.00 0.00 H new ATOM 0 HA ASN A 10 -7.507 7.814 -8.066 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -9.983 7.580 -6.365 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -8.641 8.529 -5.759 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -10.598 11.059 -7.472 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -10.520 10.157 -5.955 1.00 0.00 H new ATOM 144 N ILE A 11 -6.314 5.690 -6.868 1.00 0.00 N ATOM 145 CA ILE A 11 -5.385 4.972 -6.002 1.00 0.00 C ATOM 146 C ILE A 11 -4.077 5.740 -5.849 1.00 0.00 C ATOM 147 O ILE A 11 -3.369 5.983 -6.826 1.00 0.00 O ATOM 148 CB ILE A 11 -5.073 3.557 -6.538 1.00 0.00 C ATOM 149 CG1 ILE A 11 -6.253 3.004 -7.344 1.00 0.00 C ATOM 150 CG2 ILE A 11 -4.732 2.620 -5.388 1.00 0.00 C ATOM 151 CD1 ILE A 11 -7.555 2.982 -6.573 1.00 0.00 C ATOM 0 H ILE A 11 -6.211 5.483 -7.862 1.00 0.00 H new ATOM 0 HA ILE A 11 -5.874 4.880 -5.032 1.00 0.00 H new ATOM 0 HB ILE A 11 -4.211 3.627 -7.202 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -6.383 3.607 -8.243 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -6.017 1.991 -7.671 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -4.514 1.627 -5.780 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -3.859 2.999 -4.856 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -5.578 2.562 -4.703 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -8.346 2.579 -7.206 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -7.443 2.356 -5.688 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -7.815 3.996 -6.269 1.00 0.00 H new ATOM 163 N TRP A 12 -3.761 6.119 -4.615 1.00 0.00 N ATOM 164 CA TRP A 12 -2.536 6.859 -4.332 1.00 0.00 C ATOM 165 C TRP A 12 -2.199 6.803 -2.846 1.00 0.00 C ATOM 166 O TRP A 12 -2.874 6.126 -2.071 1.00 0.00 O ATOM 167 CB TRP A 12 -2.679 8.314 -4.782 1.00 0.00 C ATOM 168 CG TRP A 12 -3.757 9.059 -4.054 1.00 0.00 C ATOM 169 CD1 TRP A 12 -5.102 8.847 -4.144 1.00 0.00 C ATOM 170 CD2 TRP A 12 -3.580 10.136 -3.127 1.00 0.00 C ATOM 171 NE1 TRP A 12 -5.773 9.727 -3.329 1.00 0.00 N ATOM 172 CE2 TRP A 12 -4.860 10.528 -2.693 1.00 0.00 C ATOM 173 CE3 TRP A 12 -2.462 10.806 -2.620 1.00 0.00 C ATOM 174 CZ2 TRP A 12 -5.053 11.559 -1.778 1.00 0.00 C ATOM 175 CZ3 TRP A 12 -2.655 11.830 -1.711 1.00 0.00 C ATOM 176 CH2 TRP A 12 -3.942 12.198 -1.298 1.00 0.00 C ATOM 0 H TRP A 12 -4.336 5.926 -3.795 1.00 0.00 H new ATOM 0 HA TRP A 12 -1.722 6.394 -4.888 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -1.729 8.827 -4.634 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -2.890 8.337 -5.851 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -5.571 8.098 -4.765 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -6.785 9.776 -3.216 1.00 0.00 H new ATOM 0 HE3 TRP A 12 -1.466 10.529 -2.933 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -6.044 11.845 -1.458 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 -1.799 12.355 -1.313 1.00 0.00 H new ATOM 0 HH2 TRP A 12 -4.060 13.002 -0.587 1.00 0.00 H new ATOM 187 N LEU A 13 -1.149 7.518 -2.454 1.00 0.00 N ATOM 188 CA LEU A 13 -0.723 7.545 -1.060 1.00 0.00 C ATOM 189 C LEU A 13 -0.429 8.970 -0.605 1.00 0.00 C ATOM 190 O LEU A 13 0.004 9.809 -1.394 1.00 0.00 O ATOM 191 CB LEU A 13 0.517 6.670 -0.868 1.00 0.00 C ATOM 192 CG LEU A 13 0.621 5.982 0.495 1.00 0.00 C ATOM 193 CD1 LEU A 13 -0.581 5.079 0.733 1.00 0.00 C ATOM 194 CD2 LEU A 13 1.915 5.188 0.592 1.00 0.00 C ATOM 0 H LEU A 13 -0.579 8.085 -3.081 1.00 0.00 H new ATOM 0 HA LEU A 13 -1.537 7.151 -0.451 1.00 0.00 H new ATOM 0 HB2 LEU A 13 0.527 5.906 -1.645 1.00 0.00 H new ATOM 0 HB3 LEU A 13 1.404 7.286 -1.015 1.00 0.00 H new ATOM 0 HG LEU A 13 0.629 6.750 1.269 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -0.488 4.599 1.707 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -1.494 5.674 0.707 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -0.623 4.316 -0.045 1.00 0.00 H new ATOM 0 HD21 LEU A 13 1.973 4.705 1.567 1.00 0.00 H new ATOM 0 HD22 LEU A 13 1.936 4.429 -0.190 1.00 0.00 H new ATOM 0 HD23 LEU A 13 2.764 5.860 0.469 1.00 0.00 H new ATOM 206 N GLU A 14 -0.668 9.236 0.676 1.00 0.00 N ATOM 207 CA GLU A 14 -0.431 10.559 1.241 1.00 0.00 C ATOM 208 C GLU A 14 0.629 10.496 2.337 1.00 0.00 C ATOM 209 O GLU A 14 0.472 9.781 3.326 1.00 0.00 O ATOM 210 CB GLU A 14 -1.734 11.137 1.800 1.00 0.00 C ATOM 211 CG GLU A 14 -1.547 12.440 2.561 1.00 0.00 C ATOM 212 CD GLU A 14 -2.840 12.955 3.162 1.00 0.00 C ATOM 213 OE1 GLU A 14 -3.916 12.650 2.606 1.00 0.00 O ATOM 214 OE2 GLU A 14 -2.778 13.662 4.190 1.00 0.00 O ATOM 0 H GLU A 14 -1.026 8.552 1.342 1.00 0.00 H new ATOM 0 HA GLU A 14 -0.067 11.211 0.447 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -2.430 11.303 0.978 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -2.193 10.402 2.462 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -0.816 12.291 3.355 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -1.138 13.194 1.888 1.00 0.00 H new ATOM 221 N ASP A 15 1.707 11.249 2.151 1.00 0.00 N ATOM 222 CA ASP A 15 2.797 11.282 3.121 1.00 0.00 C ATOM 223 C ASP A 15 3.400 9.892 3.323 1.00 0.00 C ATOM 224 O ASP A 15 4.079 9.640 4.319 1.00 0.00 O ATOM 225 CB ASP A 15 2.302 11.839 4.458 1.00 0.00 C ATOM 226 CG ASP A 15 3.005 13.124 4.846 1.00 0.00 C ATOM 227 OD1 ASP A 15 2.824 14.138 4.139 1.00 0.00 O ATOM 228 OD2 ASP A 15 3.738 13.118 5.858 1.00 0.00 O ATOM 0 H ASP A 15 1.850 11.846 1.336 1.00 0.00 H new ATOM 0 HA ASP A 15 3.575 11.936 2.728 1.00 0.00 H new ATOM 0 HB2 ASP A 15 1.229 12.019 4.398 1.00 0.00 H new ATOM 0 HB3 ASP A 15 2.457 11.094 5.238 1.00 0.00 H new ATOM 233 N GLY A 16 3.154 8.995 2.372 1.00 0.00 N ATOM 234 CA GLY A 16 3.685 7.649 2.465 1.00 0.00 C ATOM 235 C GLY A 16 3.241 6.924 3.720 1.00 0.00 C ATOM 236 O GLY A 16 4.071 6.456 4.499 1.00 0.00 O ATOM 0 H GLY A 16 2.596 9.178 1.538 1.00 0.00 H new ATOM 0 HA2 GLY A 16 3.370 7.079 1.591 1.00 0.00 H new ATOM 0 HA3 GLY A 16 4.774 7.691 2.442 1.00 0.00 H new ATOM 240 N HIS A 17 1.930 6.820 3.912 1.00 0.00 N ATOM 241 CA HIS A 17 1.381 6.134 5.077 1.00 0.00 C ATOM 242 C HIS A 17 -0.145 6.069 5.014 1.00 0.00 C ATOM 243 O HIS A 17 -0.752 5.111 5.493 1.00 0.00 O ATOM 244 CB HIS A 17 1.841 6.814 6.373 1.00 0.00 C ATOM 245 CG HIS A 17 1.166 8.119 6.661 1.00 0.00 C ATOM 246 ND1 HIS A 17 1.083 9.147 5.745 1.00 0.00 N ATOM 247 CD2 HIS A 17 0.548 8.565 7.780 1.00 0.00 C ATOM 248 CE1 HIS A 17 0.444 10.168 6.290 1.00 0.00 C ATOM 249 NE2 HIS A 17 0.109 9.840 7.524 1.00 0.00 N ATOM 0 H HIS A 17 1.229 7.201 3.277 1.00 0.00 H new ATOM 0 HA HIS A 17 1.759 5.112 5.071 1.00 0.00 H new ATOM 0 HB2 HIS A 17 1.664 6.135 7.207 1.00 0.00 H new ATOM 0 HB3 HIS A 17 2.917 6.980 6.320 1.00 0.00 H new ATOM 0 HD1 HIS A 17 1.456 9.123 4.796 1.00 0.00 H new ATOM 0 HD2 HIS A 17 0.423 8.019 8.703 1.00 0.00 H new ATOM 0 HE1 HIS A 17 0.232 11.111 5.807 1.00 0.00 H new ATOM 258 N ILE A 18 -0.760 7.085 4.415 1.00 0.00 N ATOM 259 CA ILE A 18 -2.212 7.127 4.286 1.00 0.00 C ATOM 260 C ILE A 18 -2.640 6.788 2.861 1.00 0.00 C ATOM 261 O ILE A 18 -2.309 7.504 1.915 1.00 0.00 O ATOM 262 CB ILE A 18 -2.774 8.510 4.678 1.00 0.00 C ATOM 263 CG1 ILE A 18 -2.474 8.800 6.151 1.00 0.00 C ATOM 264 CG2 ILE A 18 -4.273 8.581 4.411 1.00 0.00 C ATOM 265 CD1 ILE A 18 -3.310 7.988 7.117 1.00 0.00 C ATOM 0 H ILE A 18 -0.276 7.888 4.013 1.00 0.00 H new ATOM 0 HA ILE A 18 -2.618 6.381 4.970 1.00 0.00 H new ATOM 0 HB ILE A 18 -2.287 9.269 4.065 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -1.419 8.602 6.343 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -2.640 9.860 6.344 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -4.647 9.565 4.695 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -4.462 8.413 3.351 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -4.783 7.816 4.996 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -3.040 8.249 8.140 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -4.366 8.203 6.954 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -3.127 6.926 6.953 1.00 0.00 H new ATOM 277 N LEU A 19 -3.375 5.691 2.717 1.00 0.00 N ATOM 278 CA LEU A 19 -3.848 5.251 1.410 1.00 0.00 C ATOM 279 C LEU A 19 -5.304 5.645 1.192 1.00 0.00 C ATOM 280 O LEU A 19 -6.117 5.590 2.114 1.00 0.00 O ATOM 281 CB LEU A 19 -3.698 3.734 1.277 1.00 0.00 C ATOM 282 CG LEU A 19 -4.165 3.151 -0.059 1.00 0.00 C ATOM 283 CD1 LEU A 19 -3.408 1.870 -0.377 1.00 0.00 C ATOM 284 CD2 LEU A 19 -5.665 2.896 -0.033 1.00 0.00 C ATOM 0 H LEU A 19 -3.657 5.089 3.491 1.00 0.00 H new ATOM 0 HA LEU A 19 -3.240 5.742 0.650 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -2.650 3.474 1.423 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -4.260 3.257 2.080 1.00 0.00 H new ATOM 0 HG LEU A 19 -3.954 3.876 -0.845 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -3.754 1.470 -1.330 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -2.341 2.084 -0.439 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -3.586 1.137 0.410 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -5.980 2.482 -0.991 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -5.900 2.190 0.763 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -6.190 3.834 0.147 1.00 0.00 H new ATOM 296 N HIS A 20 -5.625 6.034 -0.036 1.00 0.00 N ATOM 297 CA HIS A 20 -6.985 6.429 -0.386 1.00 0.00 C ATOM 298 C HIS A 20 -7.381 5.820 -1.726 1.00 0.00 C ATOM 299 O HIS A 20 -6.617 5.871 -2.690 1.00 0.00 O ATOM 300 CB HIS A 20 -7.121 7.956 -0.445 1.00 0.00 C ATOM 301 CG HIS A 20 -5.943 8.697 0.110 1.00 0.00 C ATOM 302 ND1 HIS A 20 -4.709 8.713 -0.503 1.00 0.00 N ATOM 303 CD2 HIS A 20 -5.816 9.453 1.227 1.00 0.00 C ATOM 304 CE1 HIS A 20 -3.873 9.443 0.212 1.00 0.00 C ATOM 305 NE2 HIS A 20 -4.520 9.904 1.266 1.00 0.00 N ATOM 0 H HIS A 20 -4.961 6.085 -0.808 1.00 0.00 H new ATOM 0 HA HIS A 20 -7.654 6.057 0.390 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -7.270 8.257 -1.482 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -8.015 8.252 0.105 1.00 0.00 H new ATOM 0 HD1 HIS A 20 -4.477 8.235 -1.374 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -6.590 9.662 1.951 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -2.836 9.631 -0.025 1.00 0.00 H new ATOM 314 N ALA A 21 -8.572 5.238 -1.779 1.00 0.00 N ATOM 315 CA ALA A 21 -9.056 4.614 -3.002 1.00 0.00 C ATOM 316 C ALA A 21 -10.560 4.370 -2.941 1.00 0.00 C ATOM 317 O ALA A 21 -11.106 4.059 -1.882 1.00 0.00 O ATOM 318 CB ALA A 21 -8.316 3.309 -3.250 1.00 0.00 C ATOM 0 H ALA A 21 -9.218 5.185 -0.992 1.00 0.00 H new ATOM 0 HA ALA A 21 -8.863 5.295 -3.831 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -8.685 2.850 -4.167 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -7.249 3.509 -3.348 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -8.483 2.631 -2.413 1.00 0.00 H new ATOM 324 N GLU A 22 -11.223 4.513 -4.083 1.00 0.00 N ATOM 325 CA GLU A 22 -12.665 4.307 -4.161 1.00 0.00 C ATOM 326 C GLU A 22 -12.982 2.888 -4.621 1.00 0.00 C ATOM 327 O GLU A 22 -12.963 2.595 -5.816 1.00 0.00 O ATOM 328 CB GLU A 22 -13.303 5.319 -5.120 1.00 0.00 C ATOM 329 CG GLU A 22 -12.567 6.648 -5.193 1.00 0.00 C ATOM 330 CD GLU A 22 -13.467 7.790 -5.621 1.00 0.00 C ATOM 331 OE1 GLU A 22 -14.406 7.543 -6.407 1.00 0.00 O ATOM 332 OE2 GLU A 22 -13.233 8.932 -5.171 1.00 0.00 O ATOM 0 H GLU A 22 -10.785 4.771 -4.968 1.00 0.00 H new ATOM 0 HA GLU A 22 -13.081 4.454 -3.164 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -13.345 4.883 -6.118 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -14.332 5.501 -4.809 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -12.137 6.875 -4.217 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -11.737 6.562 -5.895 1.00 0.00 H new ATOM 339 N CYS A 23 -13.272 2.011 -3.665 1.00 0.00 N ATOM 340 CA CYS A 23 -13.591 0.623 -3.977 1.00 0.00 C ATOM 341 C CYS A 23 -15.098 0.394 -3.963 1.00 0.00 C ATOM 342 O CYS A 23 -15.805 0.895 -3.088 1.00 0.00 O ATOM 343 CB CYS A 23 -12.911 -0.315 -2.978 1.00 0.00 C ATOM 344 SG CYS A 23 -11.152 0.021 -2.728 1.00 0.00 S ATOM 0 H CYS A 23 -13.293 2.236 -2.670 1.00 0.00 H new ATOM 0 HA CYS A 23 -13.219 0.407 -4.979 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -13.424 -0.240 -2.019 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -13.028 -1.342 -3.323 1.00 0.00 H new ATOM 0 HG CYS A 23 -11.001 1.232 -2.280 1.00 0.00 H new ATOM 350 N GLY A 24 -15.584 -0.367 -4.939 1.00 0.00 N ATOM 351 CA GLY A 24 -17.005 -0.649 -5.021 1.00 0.00 C ATOM 352 C GLY A 24 -17.420 -1.798 -4.123 1.00 0.00 C ATOM 353 O GLY A 24 -16.582 -2.410 -3.460 1.00 0.00 O ATOM 0 H GLY A 24 -15.019 -0.793 -5.674 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -17.566 0.244 -4.746 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -17.267 -0.885 -6.052 1.00 0.00 H new ATOM 357 N ASN A 25 -18.716 -2.091 -4.100 1.00 0.00 N ATOM 358 CA ASN A 25 -19.239 -3.177 -3.275 1.00 0.00 C ATOM 359 C ASN A 25 -19.779 -4.310 -4.143 1.00 0.00 C ATOM 360 O ASN A 25 -19.765 -5.473 -3.740 1.00 0.00 O ATOM 361 CB ASN A 25 -20.339 -2.669 -2.330 1.00 0.00 C ATOM 362 CG ASN A 25 -20.790 -1.255 -2.648 1.00 0.00 C ATOM 363 OD1 ASN A 25 -20.561 -0.328 -1.871 1.00 0.00 O ATOM 364 ND2 ASN A 25 -21.435 -1.085 -3.796 1.00 0.00 N ATOM 0 H ASN A 25 -19.423 -1.594 -4.641 1.00 0.00 H new ATOM 0 HA ASN A 25 -18.415 -3.561 -2.674 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -21.197 -3.339 -2.387 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -19.974 -2.705 -1.304 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -21.763 -0.157 -4.064 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -21.603 -1.882 -4.410 1.00 0.00 H new ATOM 371 N GLY A 26 -20.255 -3.963 -5.335 1.00 0.00 N ATOM 372 CA GLY A 26 -20.792 -4.963 -6.238 1.00 0.00 C ATOM 373 C GLY A 26 -22.146 -4.571 -6.797 1.00 0.00 C ATOM 374 O GLY A 26 -22.533 -5.020 -7.876 1.00 0.00 O ATOM 0 H GLY A 26 -20.278 -3.007 -5.691 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -20.094 -5.118 -7.060 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -20.881 -5.913 -5.712 1.00 0.00 H new ATOM 378 N GLU A 27 -22.866 -3.731 -6.062 1.00 0.00 N ATOM 379 CA GLU A 27 -24.184 -3.277 -6.490 1.00 0.00 C ATOM 380 C GLU A 27 -24.078 -2.356 -7.702 1.00 0.00 C ATOM 381 O GLU A 27 -24.998 -2.276 -8.515 1.00 0.00 O ATOM 382 CB GLU A 27 -24.893 -2.551 -5.345 1.00 0.00 C ATOM 383 CG GLU A 27 -25.063 -3.403 -4.097 1.00 0.00 C ATOM 384 CD GLU A 27 -26.517 -3.696 -3.782 1.00 0.00 C ATOM 385 OE1 GLU A 27 -27.287 -2.733 -3.582 1.00 0.00 O ATOM 386 OE2 GLU A 27 -26.885 -4.889 -3.735 1.00 0.00 O ATOM 0 H GLU A 27 -22.559 -3.351 -5.167 1.00 0.00 H new ATOM 0 HA GLU A 27 -24.767 -4.153 -6.773 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -24.328 -1.655 -5.089 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -25.874 -2.222 -5.687 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -24.527 -4.343 -4.228 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -24.607 -2.892 -3.249 1.00 0.00 H new ATOM 393 N GLY A 28 -22.949 -1.663 -7.816 1.00 0.00 N ATOM 394 CA GLY A 28 -22.745 -0.756 -8.931 1.00 0.00 C ATOM 395 C GLY A 28 -22.239 0.608 -8.497 1.00 0.00 C ATOM 396 O GLY A 28 -21.921 1.451 -9.335 1.00 0.00 O ATOM 0 H GLY A 28 -22.172 -1.713 -7.157 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -22.032 -1.198 -9.627 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -23.684 -0.635 -9.471 1.00 0.00 H new ATOM 400 N ASP A 29 -22.163 0.829 -7.187 1.00 0.00 N ATOM 401 CA ASP A 29 -21.692 2.102 -6.654 1.00 0.00 C ATOM 402 C ASP A 29 -20.284 1.964 -6.086 1.00 0.00 C ATOM 403 O ASP A 29 -19.859 0.872 -5.710 1.00 0.00 O ATOM 404 CB ASP A 29 -22.646 2.610 -5.571 1.00 0.00 C ATOM 405 CG ASP A 29 -23.699 3.551 -6.123 1.00 0.00 C ATOM 406 OD1 ASP A 29 -24.102 3.371 -7.292 1.00 0.00 O ATOM 407 OD2 ASP A 29 -24.120 4.467 -5.387 1.00 0.00 O ATOM 0 H ASP A 29 -22.421 0.144 -6.477 1.00 0.00 H new ATOM 0 HA ASP A 29 -21.666 2.823 -7.471 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -23.136 1.761 -5.094 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -22.074 3.123 -4.798 1.00 0.00 H new ATOM 412 N TYR A 30 -19.564 3.080 -6.025 1.00 0.00 N ATOM 413 CA TYR A 30 -18.203 3.084 -5.502 1.00 0.00 C ATOM 414 C TYR A 30 -18.168 3.644 -4.084 1.00 0.00 C ATOM 415 O TYR A 30 -19.021 4.444 -3.700 1.00 0.00 O ATOM 416 CB TYR A 30 -17.288 3.905 -6.413 1.00 0.00 C ATOM 417 CG TYR A 30 -16.566 3.077 -7.454 1.00 0.00 C ATOM 418 CD1 TYR A 30 -17.204 2.024 -8.098 1.00 0.00 C ATOM 419 CD2 TYR A 30 -15.247 3.351 -7.793 1.00 0.00 C ATOM 420 CE1 TYR A 30 -16.547 1.266 -9.049 1.00 0.00 C ATOM 421 CE2 TYR A 30 -14.584 2.598 -8.743 1.00 0.00 C ATOM 422 CZ TYR A 30 -15.238 1.557 -9.368 1.00 0.00 C ATOM 423 OH TYR A 30 -14.580 0.806 -10.315 1.00 0.00 O ATOM 0 H TYR A 30 -19.901 3.993 -6.331 1.00 0.00 H new ATOM 0 HA TYR A 30 -17.846 2.055 -5.474 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -17.881 4.669 -6.916 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -16.552 4.425 -5.800 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -18.230 1.794 -7.851 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -14.732 4.166 -7.306 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -17.057 0.450 -9.540 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -13.558 2.824 -8.995 1.00 0.00 H new ATOM 0 HH TYR A 30 -13.666 1.143 -10.422 1.00 0.00 H new ATOM 433 N VAL A 31 -17.175 3.218 -3.310 1.00 0.00 N ATOM 434 CA VAL A 31 -17.029 3.677 -1.934 1.00 0.00 C ATOM 435 C VAL A 31 -15.607 4.153 -1.660 1.00 0.00 C ATOM 436 O VAL A 31 -14.640 3.449 -1.953 1.00 0.00 O ATOM 437 CB VAL A 31 -17.386 2.565 -0.929 1.00 0.00 C ATOM 438 CG1 VAL A 31 -17.436 3.120 0.486 1.00 0.00 C ATOM 439 CG2 VAL A 31 -18.709 1.913 -1.302 1.00 0.00 C ATOM 0 H VAL A 31 -16.460 2.556 -3.612 1.00 0.00 H new ATOM 0 HA VAL A 31 -17.720 4.510 -1.805 1.00 0.00 H new ATOM 0 HB VAL A 31 -16.608 1.802 -0.967 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -17.690 2.320 1.182 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -16.463 3.535 0.749 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -18.192 3.904 0.543 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -18.945 1.130 -0.581 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -19.499 2.663 -1.294 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -18.632 1.478 -2.298 1.00 0.00 H new ATOM 449 N GLU A 32 -15.487 5.350 -1.097 1.00 0.00 N ATOM 450 CA GLU A 32 -14.186 5.922 -0.784 1.00 0.00 C ATOM 451 C GLU A 32 -13.690 5.422 0.572 1.00 0.00 C ATOM 452 O GLU A 32 -14.313 5.673 1.604 1.00 0.00 O ATOM 453 CB GLU A 32 -14.275 7.451 -0.792 1.00 0.00 C ATOM 454 CG GLU A 32 -13.093 8.141 -0.134 1.00 0.00 C ATOM 455 CD GLU A 32 -12.704 9.428 -0.834 1.00 0.00 C ATOM 456 OE1 GLU A 32 -13.290 10.482 -0.507 1.00 0.00 O ATOM 457 OE2 GLU A 32 -11.814 9.383 -1.709 1.00 0.00 O ATOM 0 H GLU A 32 -16.278 5.943 -0.848 1.00 0.00 H new ATOM 0 HA GLU A 32 -13.471 5.605 -1.544 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -14.356 7.795 -1.823 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -15.190 7.754 -0.283 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -13.337 8.357 0.906 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -12.239 7.463 -0.127 1.00 0.00 H new ATOM 464 N SER A 33 -12.564 4.716 0.559 1.00 0.00 N ATOM 465 CA SER A 33 -11.982 4.181 1.784 1.00 0.00 C ATOM 466 C SER A 33 -10.495 4.507 1.865 1.00 0.00 C ATOM 467 O SER A 33 -9.898 4.968 0.893 1.00 0.00 O ATOM 468 CB SER A 33 -12.188 2.667 1.852 1.00 0.00 C ATOM 469 OG SER A 33 -13.382 2.286 1.191 1.00 0.00 O ATOM 0 H SER A 33 -12.036 4.501 -0.287 1.00 0.00 H new ATOM 0 HA SER A 33 -12.485 4.647 2.631 1.00 0.00 H new ATOM 0 HB2 SER A 33 -11.338 2.160 1.395 1.00 0.00 H new ATOM 0 HB3 SER A 33 -12.227 2.348 2.894 1.00 0.00 H new ATOM 0 HG SER A 33 -13.195 1.542 0.581 1.00 0.00 H new ATOM 475 N THR A 34 -9.901 4.266 3.030 1.00 0.00 N ATOM 476 CA THR A 34 -8.483 4.538 3.231 1.00 0.00 C ATOM 477 C THR A 34 -7.850 3.498 4.149 1.00 0.00 C ATOM 478 O THR A 34 -8.532 2.872 4.961 1.00 0.00 O ATOM 479 CB THR A 34 -8.289 5.937 3.816 1.00 0.00 C ATOM 480 OG1 THR A 34 -8.970 6.063 5.052 1.00 0.00 O ATOM 481 CG2 THR A 34 -8.784 7.040 2.905 1.00 0.00 C ATOM 0 H THR A 34 -10.378 3.884 3.846 1.00 0.00 H new ATOM 0 HA THR A 34 -7.989 4.485 2.261 1.00 0.00 H new ATOM 0 HB THR A 34 -7.213 6.049 3.945 1.00 0.00 H new ATOM 0 HG1 THR A 34 -8.832 6.964 5.411 1.00 0.00 H new ATOM 0 HG21 THR A 34 -8.617 8.007 3.380 1.00 0.00 H new ATOM 0 HG22 THR A 34 -8.243 7.002 1.960 1.00 0.00 H new ATOM 0 HG23 THR A 34 -9.850 6.907 2.719 1.00 0.00 H new ATOM 489 N LEU A 35 -6.539 3.320 4.014 1.00 0.00 N ATOM 490 CA LEU A 35 -5.809 2.358 4.831 1.00 0.00 C ATOM 491 C LEU A 35 -4.459 2.923 5.260 1.00 0.00 C ATOM 492 O LEU A 35 -3.727 3.491 4.450 1.00 0.00 O ATOM 493 CB LEU A 35 -5.602 1.054 4.057 1.00 0.00 C ATOM 494 CG LEU A 35 -5.294 -0.170 4.925 1.00 0.00 C ATOM 495 CD1 LEU A 35 -6.464 -1.143 4.915 1.00 0.00 C ATOM 496 CD2 LEU A 35 -4.023 -0.859 4.448 1.00 0.00 C ATOM 0 H LEU A 35 -5.961 3.830 3.346 1.00 0.00 H new ATOM 0 HA LEU A 35 -6.400 2.155 5.724 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -6.499 0.850 3.472 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -4.785 1.194 3.350 1.00 0.00 H new ATOM 0 HG LEU A 35 -5.138 0.168 5.949 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -6.225 -2.005 5.537 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -7.352 -0.648 5.307 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -6.653 -1.474 3.894 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -3.821 -1.726 5.077 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -4.150 -1.182 3.415 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -3.187 -0.163 4.510 1.00 0.00 H new ATOM 508 N ASP A 36 -4.136 2.761 6.538 1.00 0.00 N ATOM 509 CA ASP A 36 -2.874 3.250 7.076 1.00 0.00 C ATOM 510 C ASP A 36 -1.822 2.151 7.060 1.00 0.00 C ATOM 511 O ASP A 36 -2.030 1.070 7.601 1.00 0.00 O ATOM 512 CB ASP A 36 -3.069 3.767 8.502 1.00 0.00 C ATOM 513 CG ASP A 36 -2.212 4.983 8.799 1.00 0.00 C ATOM 514 OD1 ASP A 36 -1.027 4.984 8.405 1.00 0.00 O ATOM 515 OD2 ASP A 36 -2.726 5.933 9.425 1.00 0.00 O ATOM 0 H ASP A 36 -4.732 2.294 7.221 1.00 0.00 H new ATOM 0 HA ASP A 36 -2.529 4.070 6.446 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -4.118 4.020 8.653 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -2.827 2.974 9.209 1.00 0.00 H new ATOM 520 N LEU A 37 -0.695 2.433 6.428 1.00 0.00 N ATOM 521 CA LEU A 37 0.395 1.470 6.348 1.00 0.00 C ATOM 522 C LEU A 37 1.320 1.608 7.543 1.00 0.00 C ATOM 523 O LEU A 37 1.966 0.647 7.960 1.00 0.00 O ATOM 524 CB LEU A 37 1.181 1.660 5.065 1.00 0.00 C ATOM 525 CG LEU A 37 0.347 2.103 3.873 1.00 0.00 C ATOM 526 CD1 LEU A 37 1.105 3.141 3.080 1.00 0.00 C ATOM 527 CD2 LEU A 37 -0.024 0.904 3.021 1.00 0.00 C ATOM 0 H LEU A 37 -0.509 3.321 5.962 1.00 0.00 H new ATOM 0 HA LEU A 37 -0.038 0.470 6.352 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.963 2.399 5.239 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.678 0.722 4.816 1.00 0.00 H new ATOM 0 HG LEU A 37 -0.581 2.557 4.222 1.00 0.00 H new ATOM 0 HD11 LEU A 37 0.505 3.457 2.226 1.00 0.00 H new ATOM 0 HD12 LEU A 37 1.314 4.002 3.715 1.00 0.00 H new ATOM 0 HD13 LEU A 37 2.043 2.714 2.726 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -0.621 1.233 2.170 1.00 0.00 H new ATOM 0 HD22 LEU A 37 0.883 0.418 2.661 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -0.601 0.198 3.618 1.00 0.00 H new ATOM 539 N ASP A 38 1.375 2.818 8.095 1.00 0.00 N ATOM 540 CA ASP A 38 2.218 3.092 9.249 1.00 0.00 C ATOM 541 C ASP A 38 1.861 2.172 10.410 1.00 0.00 C ATOM 542 O ASP A 38 2.589 2.097 11.399 1.00 0.00 O ATOM 543 CB ASP A 38 2.076 4.554 9.679 1.00 0.00 C ATOM 544 CG ASP A 38 3.027 4.921 10.800 1.00 0.00 C ATOM 545 OD1 ASP A 38 4.229 4.597 10.691 1.00 0.00 O ATOM 546 OD2 ASP A 38 2.571 5.534 11.789 1.00 0.00 O ATOM 0 H ASP A 38 0.845 3.622 7.760 1.00 0.00 H new ATOM 0 HA ASP A 38 3.253 2.906 8.964 1.00 0.00 H new ATOM 0 HB2 ASP A 38 2.262 5.202 8.822 1.00 0.00 H new ATOM 0 HB3 ASP A 38 1.051 4.737 10.001 1.00 0.00 H new ATOM 551 N TYR A 39 0.738 1.468 10.285 1.00 0.00 N ATOM 552 CA TYR A 39 0.303 0.553 11.335 1.00 0.00 C ATOM 553 C TYR A 39 -0.010 -0.839 10.778 1.00 0.00 C ATOM 554 O TYR A 39 -0.395 -1.739 11.524 1.00 0.00 O ATOM 555 CB TYR A 39 -0.907 1.135 12.081 1.00 0.00 C ATOM 556 CG TYR A 39 -2.252 0.711 11.533 1.00 0.00 C ATOM 557 CD1 TYR A 39 -2.493 0.705 10.168 1.00 0.00 C ATOM 558 CD2 TYR A 39 -3.278 0.319 12.383 1.00 0.00 C ATOM 559 CE1 TYR A 39 -3.721 0.322 9.661 1.00 0.00 C ATOM 560 CE2 TYR A 39 -4.508 -0.067 11.886 1.00 0.00 C ATOM 561 CZ TYR A 39 -4.725 -0.063 10.524 1.00 0.00 C ATOM 562 OH TYR A 39 -5.948 -0.446 10.024 1.00 0.00 O ATOM 0 H TYR A 39 0.119 1.513 9.476 1.00 0.00 H new ATOM 0 HA TYR A 39 1.124 0.438 12.042 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -0.847 0.839 13.128 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -0.845 2.223 12.053 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -1.708 1.005 9.489 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -3.112 0.316 13.450 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -3.893 0.324 8.595 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -5.295 -0.370 12.560 1.00 0.00 H new ATOM 0 HH TYR A 39 -5.931 -1.404 9.817 1.00 0.00 H new ATOM 572 N TYR A 40 0.161 -1.015 9.467 1.00 0.00 N ATOM 573 CA TYR A 40 -0.101 -2.302 8.831 1.00 0.00 C ATOM 574 C TYR A 40 1.147 -2.842 8.127 1.00 0.00 C ATOM 575 O TYR A 40 1.192 -4.009 7.741 1.00 0.00 O ATOM 576 CB TYR A 40 -1.254 -2.176 7.833 1.00 0.00 C ATOM 577 CG TYR A 40 -2.565 -2.729 8.348 1.00 0.00 C ATOM 578 CD1 TYR A 40 -2.937 -2.565 9.678 1.00 0.00 C ATOM 579 CD2 TYR A 40 -3.431 -3.415 7.506 1.00 0.00 C ATOM 580 CE1 TYR A 40 -4.132 -3.070 10.152 1.00 0.00 C ATOM 581 CE2 TYR A 40 -4.629 -3.922 7.974 1.00 0.00 C ATOM 582 CZ TYR A 40 -4.974 -3.747 9.297 1.00 0.00 C ATOM 583 OH TYR A 40 -6.166 -4.251 9.766 1.00 0.00 O ATOM 0 H TYR A 40 0.478 -0.285 8.829 1.00 0.00 H new ATOM 0 HA TYR A 40 -0.380 -3.009 9.613 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -1.388 -1.125 7.577 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -0.986 -2.696 6.914 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -2.281 -2.034 10.351 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -3.164 -3.555 6.469 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -4.405 -2.935 11.188 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -5.291 -4.453 7.306 1.00 0.00 H new ATOM 0 HH TYR A 40 -6.642 -4.699 9.036 1.00 0.00 H new ATOM 593 N ILE A 41 2.159 -1.990 7.965 1.00 0.00 N ATOM 594 CA ILE A 41 3.399 -2.394 7.312 1.00 0.00 C ATOM 595 C ILE A 41 4.613 -1.935 8.116 1.00 0.00 C ATOM 596 O ILE A 41 4.636 -0.823 8.643 1.00 0.00 O ATOM 597 CB ILE A 41 3.489 -1.827 5.880 1.00 0.00 C ATOM 598 CG1 ILE A 41 2.392 -2.432 5.005 1.00 0.00 C ATOM 599 CG2 ILE A 41 4.861 -2.098 5.275 1.00 0.00 C ATOM 600 CD1 ILE A 41 1.980 -1.540 3.858 1.00 0.00 C ATOM 0 H ILE A 41 2.143 -1.019 8.277 1.00 0.00 H new ATOM 0 HA ILE A 41 3.395 -3.483 7.259 1.00 0.00 H new ATOM 0 HB ILE A 41 3.347 -0.747 5.928 1.00 0.00 H new ATOM 0 HG12 ILE A 41 2.739 -3.386 4.607 1.00 0.00 H new ATOM 0 HG13 ILE A 41 1.519 -2.643 5.623 1.00 0.00 H new ATOM 0 HG21 ILE A 41 4.901 -1.689 4.265 1.00 0.00 H new ATOM 0 HG22 ILE A 41 5.629 -1.626 5.888 1.00 0.00 H new ATOM 0 HG23 ILE A 41 5.036 -3.173 5.238 1.00 0.00 H new ATOM 0 HD11 ILE A 41 1.198 -2.031 3.278 1.00 0.00 H new ATOM 0 HD12 ILE A 41 1.603 -0.595 4.249 1.00 0.00 H new ATOM 0 HD13 ILE A 41 2.841 -1.349 3.218 1.00 0.00 H new ATOM 612 N GLY A 42 5.620 -2.798 8.203 1.00 0.00 N ATOM 613 CA GLY A 42 6.821 -2.461 8.945 1.00 0.00 C ATOM 614 C GLY A 42 8.086 -2.670 8.136 1.00 0.00 C ATOM 615 O GLY A 42 8.036 -3.138 6.999 1.00 0.00 O ATOM 0 H GLY A 42 5.626 -3.723 7.774 1.00 0.00 H new ATOM 0 HA2 GLY A 42 6.766 -1.420 9.264 1.00 0.00 H new ATOM 0 HA3 GLY A 42 6.868 -3.069 9.848 1.00 0.00 H new ATOM 619 N ASN A 43 9.222 -2.320 8.728 1.00 0.00 N ATOM 620 CA ASN A 43 10.511 -2.468 8.062 1.00 0.00 C ATOM 621 C ASN A 43 11.229 -3.727 8.539 1.00 0.00 C ATOM 622 O ASN A 43 11.670 -3.807 9.685 1.00 0.00 O ATOM 623 CB ASN A 43 11.384 -1.238 8.323 1.00 0.00 C ATOM 624 CG ASN A 43 12.732 -1.326 7.635 1.00 0.00 C ATOM 625 OD1 ASN A 43 13.109 -2.374 7.110 1.00 0.00 O ATOM 626 ND2 ASN A 43 13.468 -0.221 7.633 1.00 0.00 N ATOM 0 H ASN A 43 9.277 -1.931 9.669 1.00 0.00 H new ATOM 0 HA ASN A 43 10.332 -2.559 6.991 1.00 0.00 H new ATOM 0 HB2 ASN A 43 10.861 -0.346 7.978 1.00 0.00 H new ATOM 0 HB3 ASN A 43 11.534 -1.124 9.397 1.00 0.00 H new ATOM 0 HD21 ASN A 43 14.384 -0.219 7.185 1.00 0.00 H new ATOM 0 HD22 ASN A 43 13.117 0.626 8.080 1.00 0.00 H new ATOM 633 N ASP A 44 11.345 -4.708 7.649 1.00 0.00 N ATOM 634 CA ASP A 44 12.011 -5.964 7.976 1.00 0.00 C ATOM 635 C ASP A 44 13.316 -6.108 7.198 1.00 0.00 C ATOM 636 O ASP A 44 13.313 -6.504 6.033 1.00 0.00 O ATOM 637 CB ASP A 44 11.090 -7.148 7.673 1.00 0.00 C ATOM 638 CG ASP A 44 11.576 -8.436 8.308 1.00 0.00 C ATOM 639 OD1 ASP A 44 12.290 -8.361 9.330 1.00 0.00 O ATOM 640 OD2 ASP A 44 11.241 -9.519 7.784 1.00 0.00 O ATOM 0 H ASP A 44 10.986 -4.657 6.696 1.00 0.00 H new ATOM 0 HA ASP A 44 12.243 -5.956 9.041 1.00 0.00 H new ATOM 0 HB2 ASP A 44 10.086 -6.925 8.033 1.00 0.00 H new ATOM 0 HB3 ASP A 44 11.019 -7.283 6.594 1.00 0.00 H new ATOM 645 N ASP A 45 14.429 -5.787 7.850 1.00 0.00 N ATOM 646 CA ASP A 45 15.739 -5.883 7.216 1.00 0.00 C ATOM 647 C ASP A 45 15.813 -4.992 5.980 1.00 0.00 C ATOM 648 O ASP A 45 16.276 -5.416 4.921 1.00 0.00 O ATOM 649 CB ASP A 45 16.036 -7.334 6.833 1.00 0.00 C ATOM 650 CG ASP A 45 17.443 -7.515 6.298 1.00 0.00 C ATOM 651 OD1 ASP A 45 18.390 -7.525 7.111 1.00 0.00 O ATOM 652 OD2 ASP A 45 17.597 -7.647 5.066 1.00 0.00 O ATOM 0 H ASP A 45 14.450 -5.459 8.815 1.00 0.00 H new ATOM 0 HA ASP A 45 16.488 -5.542 7.931 1.00 0.00 H new ATOM 0 HB2 ASP A 45 15.897 -7.973 7.705 1.00 0.00 H new ATOM 0 HB3 ASP A 45 15.319 -7.662 6.080 1.00 0.00 H new ATOM 657 N GLY A 46 15.352 -3.754 6.123 1.00 0.00 N ATOM 658 CA GLY A 46 15.373 -2.823 5.011 1.00 0.00 C ATOM 659 C GLY A 46 14.398 -3.203 3.912 1.00 0.00 C ATOM 660 O GLY A 46 14.520 -2.737 2.779 1.00 0.00 O ATOM 0 H GLY A 46 14.964 -3.379 6.989 1.00 0.00 H new ATOM 0 HA2 GLY A 46 15.133 -1.824 5.374 1.00 0.00 H new ATOM 0 HA3 GLY A 46 16.381 -2.779 4.598 1.00 0.00 H new ATOM 664 N SER A 47 13.429 -4.052 4.244 1.00 0.00 N ATOM 665 CA SER A 47 12.433 -4.492 3.273 1.00 0.00 C ATOM 666 C SER A 47 11.021 -4.289 3.813 1.00 0.00 C ATOM 667 O SER A 47 10.825 -4.109 5.014 1.00 0.00 O ATOM 668 CB SER A 47 12.651 -5.964 2.919 1.00 0.00 C ATOM 669 OG SER A 47 11.955 -6.312 1.734 1.00 0.00 O ATOM 0 H SER A 47 13.313 -4.448 5.177 1.00 0.00 H new ATOM 0 HA SER A 47 12.548 -3.889 2.372 1.00 0.00 H new ATOM 0 HB2 SER A 47 13.716 -6.156 2.789 1.00 0.00 H new ATOM 0 HB3 SER A 47 12.312 -6.593 3.742 1.00 0.00 H new ATOM 0 HG SER A 47 12.112 -7.257 1.528 1.00 0.00 H new ATOM 675 N PHE A 48 10.040 -4.321 2.916 1.00 0.00 N ATOM 676 CA PHE A 48 8.645 -4.141 3.302 1.00 0.00 C ATOM 677 C PHE A 48 8.048 -5.448 3.812 1.00 0.00 C ATOM 678 O PHE A 48 8.309 -6.518 3.262 1.00 0.00 O ATOM 679 CB PHE A 48 7.830 -3.621 2.116 1.00 0.00 C ATOM 680 CG PHE A 48 8.065 -2.168 1.816 1.00 0.00 C ATOM 681 CD1 PHE A 48 7.998 -1.220 2.824 1.00 0.00 C ATOM 682 CD2 PHE A 48 8.354 -1.750 0.526 1.00 0.00 C ATOM 683 CE1 PHE A 48 8.214 0.118 2.552 1.00 0.00 C ATOM 684 CE2 PHE A 48 8.570 -0.413 0.249 1.00 0.00 C ATOM 685 CZ PHE A 48 8.501 0.522 1.263 1.00 0.00 C ATOM 0 H PHE A 48 10.185 -4.470 1.917 1.00 0.00 H new ATOM 0 HA PHE A 48 8.608 -3.408 4.108 1.00 0.00 H new ATOM 0 HB2 PHE A 48 8.074 -4.210 1.232 1.00 0.00 H new ATOM 0 HB3 PHE A 48 6.770 -3.775 2.319 1.00 0.00 H new ATOM 0 HD1 PHE A 48 7.774 -1.530 3.834 1.00 0.00 H new ATOM 0 HD2 PHE A 48 8.411 -2.477 -0.271 1.00 0.00 H new ATOM 0 HE1 PHE A 48 8.158 0.847 3.347 1.00 0.00 H new ATOM 0 HE2 PHE A 48 8.793 -0.100 -0.760 1.00 0.00 H new ATOM 0 HZ PHE A 48 8.671 1.567 1.048 1.00 0.00 H new ATOM 695 N SER A 49 7.246 -5.355 4.868 1.00 0.00 N ATOM 696 CA SER A 49 6.612 -6.532 5.454 1.00 0.00 C ATOM 697 C SER A 49 5.118 -6.305 5.661 1.00 0.00 C ATOM 698 O SER A 49 4.710 -5.328 6.290 1.00 0.00 O ATOM 699 CB SER A 49 7.275 -6.883 6.787 1.00 0.00 C ATOM 700 OG SER A 49 7.367 -8.287 6.958 1.00 0.00 O ATOM 0 H SER A 49 7.019 -4.477 5.336 1.00 0.00 H new ATOM 0 HA SER A 49 6.740 -7.363 4.760 1.00 0.00 H new ATOM 0 HB2 SER A 49 8.271 -6.443 6.828 1.00 0.00 H new ATOM 0 HB3 SER A 49 6.701 -6.451 7.607 1.00 0.00 H new ATOM 0 HG SER A 49 7.796 -8.485 7.817 1.00 0.00 H new ATOM 706 N TRP A 50 4.307 -7.214 5.129 1.00 0.00 N ATOM 707 CA TRP A 50 2.859 -7.116 5.258 1.00 0.00 C ATOM 708 C TRP A 50 2.413 -7.493 6.666 1.00 0.00 C ATOM 709 O TRP A 50 2.624 -8.620 7.114 1.00 0.00 O ATOM 710 CB TRP A 50 2.176 -8.023 4.233 1.00 0.00 C ATOM 711 CG TRP A 50 2.024 -7.387 2.886 1.00 0.00 C ATOM 712 CD1 TRP A 50 2.583 -7.807 1.713 1.00 0.00 C ATOM 713 CD2 TRP A 50 1.265 -6.213 2.571 1.00 0.00 C ATOM 714 NE1 TRP A 50 2.217 -6.968 0.689 1.00 0.00 N ATOM 715 CE2 TRP A 50 1.408 -5.982 1.190 1.00 0.00 C ATOM 716 CE3 TRP A 50 0.477 -5.337 3.323 1.00 0.00 C ATOM 717 CZ2 TRP A 50 0.793 -4.911 0.546 1.00 0.00 C ATOM 718 CZ3 TRP A 50 -0.133 -4.274 2.683 1.00 0.00 C ATOM 719 CH2 TRP A 50 0.028 -4.069 1.307 1.00 0.00 C ATOM 0 H TRP A 50 4.629 -8.027 4.604 1.00 0.00 H new ATOM 0 HA TRP A 50 2.569 -6.082 5.070 1.00 0.00 H new ATOM 0 HB2 TRP A 50 2.753 -8.942 4.130 1.00 0.00 H new ATOM 0 HB3 TRP A 50 1.192 -8.305 4.607 1.00 0.00 H new ATOM 0 HD1 TRP A 50 3.220 -8.673 1.606 1.00 0.00 H new ATOM 0 HE1 TRP A 50 2.501 -7.063 -0.286 1.00 0.00 H new ATOM 0 HE3 TRP A 50 0.347 -5.488 4.385 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 0.915 -4.751 -0.515 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 -0.744 -3.590 3.254 1.00 0.00 H new ATOM 0 HH2 TRP A 50 -0.462 -3.229 0.837 1.00 0.00 H new ATOM 730 N GLY A 51 1.796 -6.543 7.361 1.00 0.00 N ATOM 731 CA GLY A 51 1.333 -6.796 8.712 1.00 0.00 C ATOM 732 C GLY A 51 2.198 -6.126 9.764 1.00 0.00 C ATOM 733 O GLY A 51 2.026 -6.367 10.959 1.00 0.00 O ATOM 0 H GLY A 51 1.609 -5.603 7.013 1.00 0.00 H new ATOM 0 HA2 GLY A 51 0.307 -6.442 8.812 1.00 0.00 H new ATOM 0 HA3 GLY A 51 1.318 -7.871 8.891 1.00 0.00 H new ATOM 737 N GLY A 52 3.127 -5.282 9.324 1.00 0.00 N ATOM 738 CA GLY A 52 3.999 -4.591 10.254 1.00 0.00 C ATOM 739 C GLY A 52 3.472 -3.220 10.624 1.00 0.00 C ATOM 740 O GLY A 52 2.262 -2.994 10.627 1.00 0.00 O ATOM 0 H GLY A 52 3.290 -5.065 8.341 1.00 0.00 H new ATOM 0 HA2 GLY A 52 4.112 -5.191 11.157 1.00 0.00 H new ATOM 0 HA3 GLY A 52 4.991 -4.490 9.813 1.00 0.00 H new ATOM 744 N GLU A 53 4.379 -2.300 10.936 1.00 0.00 N ATOM 745 CA GLU A 53 3.991 -0.945 11.308 1.00 0.00 C ATOM 746 C GLU A 53 5.217 -0.078 11.571 1.00 0.00 C ATOM 747 O GLU A 53 6.300 -0.587 11.864 1.00 0.00 O ATOM 748 CB GLU A 53 3.092 -0.974 12.544 1.00 0.00 C ATOM 749 CG GLU A 53 3.638 -1.829 13.675 1.00 0.00 C ATOM 750 CD GLU A 53 3.057 -1.452 15.024 1.00 0.00 C ATOM 751 OE1 GLU A 53 1.870 -1.756 15.264 1.00 0.00 O ATOM 752 OE2 GLU A 53 3.789 -0.853 15.839 1.00 0.00 O ATOM 0 H GLU A 53 5.385 -2.468 10.939 1.00 0.00 H new ATOM 0 HA GLU A 53 3.438 -0.510 10.476 1.00 0.00 H new ATOM 0 HB2 GLU A 53 2.952 0.045 12.905 1.00 0.00 H new ATOM 0 HB3 GLU A 53 2.109 -1.349 12.259 1.00 0.00 H new ATOM 0 HG2 GLU A 53 3.421 -2.877 13.470 1.00 0.00 H new ATOM 0 HG3 GLU A 53 4.723 -1.729 13.710 1.00 0.00 H new ATOM 759 N ASN A 54 5.040 1.234 11.463 1.00 0.00 N ATOM 760 CA ASN A 54 6.130 2.176 11.687 1.00 0.00 C ATOM 761 C ASN A 54 7.231 1.992 10.647 1.00 0.00 C ATOM 762 O ASN A 54 8.402 2.262 10.914 1.00 0.00 O ATOM 763 CB ASN A 54 6.705 2.002 13.093 1.00 0.00 C ATOM 764 CG ASN A 54 5.646 2.127 14.170 1.00 0.00 C ATOM 765 OD1 ASN A 54 5.013 1.010 14.510 1.00 0.00 O flip ATOM 766 ND2 ASN A 54 5.399 3.214 14.691 1.00 0.00 N flip ATOM 0 H ASN A 54 4.150 1.670 11.221 1.00 0.00 H new ATOM 0 HA ASN A 54 5.729 3.185 11.590 1.00 0.00 H new ATOM 0 HB2 ASN A 54 7.183 1.025 13.169 1.00 0.00 H new ATOM 0 HB3 ASN A 54 7.480 2.750 13.261 1.00 0.00 H new ATOM 0 HD21 ASN A 54 5.910 4.047 14.399 1.00 0.00 H new ATOM 0 HD22 ASN A 54 4.683 3.282 15.415 1.00 0.00 H new ATOM 773 N PHE A 55 6.847 1.533 9.459 1.00 0.00 N ATOM 774 CA PHE A 55 7.803 1.316 8.380 1.00 0.00 C ATOM 775 C PHE A 55 8.495 2.622 8.000 1.00 0.00 C ATOM 776 O PHE A 55 9.687 2.639 7.691 1.00 0.00 O ATOM 777 CB PHE A 55 7.098 0.714 7.159 1.00 0.00 C ATOM 778 CG PHE A 55 6.263 1.700 6.390 1.00 0.00 C ATOM 779 CD1 PHE A 55 4.995 2.046 6.830 1.00 0.00 C ATOM 780 CD2 PHE A 55 6.746 2.282 5.229 1.00 0.00 C ATOM 781 CE1 PHE A 55 4.225 2.952 6.126 1.00 0.00 C ATOM 782 CE2 PHE A 55 5.981 3.188 4.520 1.00 0.00 C ATOM 783 CZ PHE A 55 4.719 3.524 4.969 1.00 0.00 C ATOM 0 H PHE A 55 5.882 1.305 9.220 1.00 0.00 H new ATOM 0 HA PHE A 55 8.561 0.615 8.730 1.00 0.00 H new ATOM 0 HB2 PHE A 55 7.848 0.289 6.492 1.00 0.00 H new ATOM 0 HB3 PHE A 55 6.462 -0.108 7.488 1.00 0.00 H new ATOM 0 HD1 PHE A 55 4.604 1.602 7.734 1.00 0.00 H new ATOM 0 HD2 PHE A 55 7.733 2.024 4.874 1.00 0.00 H new ATOM 0 HE1 PHE A 55 3.238 3.213 6.479 1.00 0.00 H new ATOM 0 HE2 PHE A 55 6.369 3.633 3.616 1.00 0.00 H new ATOM 0 HZ PHE A 55 4.119 4.232 4.417 1.00 0.00 H new ATOM 793 N SER A 56 7.737 3.713 8.025 1.00 0.00 N ATOM 794 CA SER A 56 8.271 5.026 7.683 1.00 0.00 C ATOM 795 C SER A 56 9.250 5.514 8.746 1.00 0.00 C ATOM 796 O SER A 56 10.132 6.325 8.464 1.00 0.00 O ATOM 797 CB SER A 56 7.133 6.035 7.520 1.00 0.00 C ATOM 798 OG SER A 56 7.619 7.282 7.053 1.00 0.00 O ATOM 0 H SER A 56 6.749 3.714 8.279 1.00 0.00 H new ATOM 0 HA SER A 56 8.807 4.935 6.738 1.00 0.00 H new ATOM 0 HB2 SER A 56 6.394 5.644 6.821 1.00 0.00 H new ATOM 0 HB3 SER A 56 6.626 6.173 8.475 1.00 0.00 H new ATOM 0 HG SER A 56 6.872 7.909 6.956 1.00 0.00 H new ATOM 804 N GLY A 57 9.092 5.015 9.970 1.00 0.00 N ATOM 805 CA GLY A 57 9.972 5.414 11.055 1.00 0.00 C ATOM 806 C GLY A 57 11.439 5.274 10.694 1.00 0.00 C ATOM 807 O GLY A 57 12.283 6.015 11.198 1.00 0.00 O ATOM 0 H GLY A 57 8.371 4.342 10.229 1.00 0.00 H new ATOM 0 HA2 GLY A 57 9.765 6.450 11.325 1.00 0.00 H new ATOM 0 HA3 GLY A 57 9.758 4.807 11.934 1.00 0.00 H new ATOM 811 N SER A 58 11.739 4.324 9.815 1.00 0.00 N ATOM 812 CA SER A 58 13.111 4.089 9.379 1.00 0.00 C ATOM 813 C SER A 58 13.208 4.122 7.857 1.00 0.00 C ATOM 814 O SER A 58 14.077 3.482 7.266 1.00 0.00 O ATOM 815 CB SER A 58 13.618 2.744 9.909 1.00 0.00 C ATOM 816 OG SER A 58 12.620 2.083 10.668 1.00 0.00 O ATOM 0 H SER A 58 11.050 3.704 9.390 1.00 0.00 H new ATOM 0 HA SER A 58 13.736 4.885 9.783 1.00 0.00 H new ATOM 0 HB2 SER A 58 13.922 2.112 9.074 1.00 0.00 H new ATOM 0 HB3 SER A 58 14.502 2.903 10.526 1.00 0.00 H new ATOM 0 HG SER A 58 12.969 1.227 10.993 1.00 0.00 H new ATOM 822 N ALA A 59 12.308 4.873 7.227 1.00 0.00 N ATOM 823 CA ALA A 59 12.291 4.990 5.775 1.00 0.00 C ATOM 824 C ALA A 59 12.424 6.445 5.340 1.00 0.00 C ATOM 825 O ALA A 59 12.287 7.361 6.151 1.00 0.00 O ATOM 826 CB ALA A 59 11.014 4.383 5.213 1.00 0.00 C ATOM 0 H ALA A 59 11.581 5.409 7.701 1.00 0.00 H new ATOM 0 HA ALA A 59 13.146 4.441 5.380 1.00 0.00 H new ATOM 0 HB1 ALA A 59 11.014 4.477 4.127 1.00 0.00 H new ATOM 0 HB2 ALA A 59 10.961 3.329 5.486 1.00 0.00 H new ATOM 0 HB3 ALA A 59 10.151 4.908 5.623 1.00 0.00 H new ATOM 832 N SER A 60 12.690 6.651 4.054 1.00 0.00 N ATOM 833 CA SER A 60 12.840 7.996 3.511 1.00 0.00 C ATOM 834 C SER A 60 12.161 8.110 2.150 1.00 0.00 C ATOM 835 O SER A 60 12.064 7.130 1.412 1.00 0.00 O ATOM 836 CB SER A 60 14.321 8.357 3.388 1.00 0.00 C ATOM 837 OG SER A 60 14.901 8.575 4.663 1.00 0.00 O ATOM 0 H SER A 60 12.806 5.904 3.369 1.00 0.00 H new ATOM 0 HA SER A 60 12.360 8.694 4.197 1.00 0.00 H new ATOM 0 HB2 SER A 60 14.853 7.555 2.876 1.00 0.00 H new ATOM 0 HB3 SER A 60 14.431 9.253 2.777 1.00 0.00 H new ATOM 0 HG SER A 60 15.848 8.803 4.557 1.00 0.00 H new ATOM 843 N ASN A 61 11.695 9.317 1.827 1.00 0.00 N ATOM 844 CA ASN A 61 11.020 9.582 0.554 1.00 0.00 C ATOM 845 C ASN A 61 10.101 8.429 0.153 1.00 0.00 C ATOM 846 O ASN A 61 10.345 7.742 -0.838 1.00 0.00 O ATOM 847 CB ASN A 61 12.046 9.846 -0.554 1.00 0.00 C ATOM 848 CG ASN A 61 13.230 8.902 -0.493 1.00 0.00 C ATOM 849 OD1 ASN A 61 14.323 9.284 -0.072 1.00 0.00 O ATOM 850 ND2 ASN A 61 13.020 7.661 -0.914 1.00 0.00 N ATOM 0 H ASN A 61 11.773 10.133 2.434 1.00 0.00 H new ATOM 0 HA ASN A 61 10.404 10.471 0.689 1.00 0.00 H new ATOM 0 HB2 ASN A 61 11.559 9.749 -1.524 1.00 0.00 H new ATOM 0 HB3 ASN A 61 12.402 10.873 -0.477 1.00 0.00 H new ATOM 0 HD21 ASN A 61 13.780 6.981 -0.897 1.00 0.00 H new ATOM 0 HD22 ASN A 61 12.098 7.387 -1.255 1.00 0.00 H new ATOM 857 N ILE A 62 9.043 8.225 0.932 1.00 0.00 N ATOM 858 CA ILE A 62 8.088 7.157 0.658 1.00 0.00 C ATOM 859 C ILE A 62 6.958 7.655 -0.237 1.00 0.00 C ATOM 860 O ILE A 62 6.282 8.632 0.087 1.00 0.00 O ATOM 861 CB ILE A 62 7.488 6.580 1.959 1.00 0.00 C ATOM 862 CG1 ILE A 62 8.532 6.573 3.080 1.00 0.00 C ATOM 863 CG2 ILE A 62 6.953 5.176 1.718 1.00 0.00 C ATOM 864 CD1 ILE A 62 8.024 5.982 4.377 1.00 0.00 C ATOM 0 H ILE A 62 8.826 8.784 1.757 1.00 0.00 H new ATOM 0 HA ILE A 62 8.636 6.366 0.146 1.00 0.00 H new ATOM 0 HB ILE A 62 6.660 7.218 2.269 1.00 0.00 H new ATOM 0 HG12 ILE A 62 9.404 6.008 2.750 1.00 0.00 H new ATOM 0 HG13 ILE A 62 8.865 7.595 3.262 1.00 0.00 H new ATOM 0 HG21 ILE A 62 6.533 4.783 2.644 1.00 0.00 H new ATOM 0 HG22 ILE A 62 6.177 5.209 0.953 1.00 0.00 H new ATOM 0 HG23 ILE A 62 7.765 4.530 1.384 1.00 0.00 H new ATOM 0 HD11 ILE A 62 8.817 6.010 5.125 1.00 0.00 H new ATOM 0 HD12 ILE A 62 7.171 6.561 4.731 1.00 0.00 H new ATOM 0 HD13 ILE A 62 7.718 4.949 4.211 1.00 0.00 H new ATOM 876 N THR A 63 6.761 6.983 -1.368 1.00 0.00 N ATOM 877 CA THR A 63 5.714 7.366 -2.310 1.00 0.00 C ATOM 878 C THR A 63 5.145 6.148 -3.034 1.00 0.00 C ATOM 879 O THR A 63 5.777 5.094 -3.092 1.00 0.00 O ATOM 880 CB THR A 63 6.261 8.368 -3.329 1.00 0.00 C ATOM 881 OG1 THR A 63 7.659 8.207 -3.492 1.00 0.00 O ATOM 882 CG2 THR A 63 6.007 9.810 -2.945 1.00 0.00 C ATOM 0 H THR A 63 7.311 6.173 -1.654 1.00 0.00 H new ATOM 0 HA THR A 63 4.908 7.831 -1.742 1.00 0.00 H new ATOM 0 HB THR A 63 5.729 8.156 -4.256 1.00 0.00 H new ATOM 0 HG1 THR A 63 7.989 8.856 -4.149 1.00 0.00 H new ATOM 0 HG21 THR A 63 6.420 10.468 -3.709 1.00 0.00 H new ATOM 0 HG22 THR A 63 4.934 9.980 -2.861 1.00 0.00 H new ATOM 0 HG23 THR A 63 6.484 10.021 -1.988 1.00 0.00 H new ATOM 890 N LEU A 64 3.946 6.307 -3.585 1.00 0.00 N ATOM 891 CA LEU A 64 3.281 5.229 -4.309 1.00 0.00 C ATOM 892 C LEU A 64 3.342 5.471 -5.814 1.00 0.00 C ATOM 893 O LEU A 64 2.996 6.552 -6.291 1.00 0.00 O ATOM 894 CB LEU A 64 1.824 5.117 -3.855 1.00 0.00 C ATOM 895 CG LEU A 64 1.018 4.011 -4.534 1.00 0.00 C ATOM 896 CD1 LEU A 64 1.585 2.647 -4.179 1.00 0.00 C ATOM 897 CD2 LEU A 64 -0.449 4.102 -4.141 1.00 0.00 C ATOM 0 H LEU A 64 3.413 7.176 -3.544 1.00 0.00 H new ATOM 0 HA LEU A 64 3.798 4.295 -4.090 1.00 0.00 H new ATOM 0 HB2 LEU A 64 1.807 4.949 -2.778 1.00 0.00 H new ATOM 0 HB3 LEU A 64 1.328 6.071 -4.037 1.00 0.00 H new ATOM 0 HG LEU A 64 1.091 4.142 -5.614 1.00 0.00 H new ATOM 0 HD11 LEU A 64 0.999 1.870 -4.671 1.00 0.00 H new ATOM 0 HD12 LEU A 64 2.621 2.586 -4.512 1.00 0.00 H new ATOM 0 HD13 LEU A 64 1.542 2.505 -3.099 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -1.008 3.307 -4.634 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -0.543 3.996 -3.060 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -0.848 5.069 -4.447 1.00 0.00 H new ATOM 909 N ASP A 65 3.790 4.463 -6.560 1.00 0.00 N ATOM 910 CA ASP A 65 3.899 4.582 -8.011 1.00 0.00 C ATOM 911 C ASP A 65 3.211 3.416 -8.713 1.00 0.00 C ATOM 912 O ASP A 65 3.102 2.322 -8.161 1.00 0.00 O ATOM 913 CB ASP A 65 5.370 4.646 -8.426 1.00 0.00 C ATOM 914 CG ASP A 65 5.692 5.893 -9.226 1.00 0.00 C ATOM 915 OD1 ASP A 65 5.606 7.002 -8.658 1.00 0.00 O ATOM 916 OD2 ASP A 65 6.031 5.760 -10.421 1.00 0.00 O ATOM 0 H ASP A 65 4.082 3.560 -6.186 1.00 0.00 H new ATOM 0 HA ASP A 65 3.400 5.503 -8.311 1.00 0.00 H new ATOM 0 HB2 ASP A 65 5.997 4.617 -7.535 1.00 0.00 H new ATOM 0 HB3 ASP A 65 5.616 3.764 -9.018 1.00 0.00 H new ATOM 921 N ILE A 66 2.756 3.656 -9.939 1.00 0.00 N ATOM 922 CA ILE A 66 2.088 2.627 -10.721 1.00 0.00 C ATOM 923 C ILE A 66 3.097 1.868 -11.580 1.00 0.00 C ATOM 924 O ILE A 66 3.956 2.470 -12.225 1.00 0.00 O ATOM 925 CB ILE A 66 0.985 3.239 -11.615 1.00 0.00 C ATOM 926 CG1 ILE A 66 -0.289 3.464 -10.797 1.00 0.00 C ATOM 927 CG2 ILE A 66 0.698 2.355 -12.822 1.00 0.00 C ATOM 928 CD1 ILE A 66 -1.033 2.188 -10.461 1.00 0.00 C ATOM 0 H ILE A 66 2.839 4.556 -10.411 1.00 0.00 H new ATOM 0 HA ILE A 66 1.620 1.929 -10.027 1.00 0.00 H new ATOM 0 HB ILE A 66 1.341 4.200 -11.986 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -0.029 3.977 -9.871 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -0.954 4.126 -11.352 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -0.082 2.812 -13.431 1.00 0.00 H new ATOM 0 HG22 ILE A 66 1.605 2.245 -13.416 1.00 0.00 H new ATOM 0 HG23 ILE A 66 0.365 1.374 -12.483 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -1.924 2.428 -9.881 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -1.325 1.684 -11.382 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -0.386 1.532 -9.878 1.00 0.00 H new ATOM 940 N GLU A 67 2.986 0.545 -11.580 1.00 0.00 N ATOM 941 CA GLU A 67 3.889 -0.296 -12.357 1.00 0.00 C ATOM 942 C GLU A 67 3.128 -1.429 -13.039 1.00 0.00 C ATOM 943 O GLU A 67 2.213 -2.013 -12.459 1.00 0.00 O ATOM 944 CB GLU A 67 4.987 -0.869 -11.457 1.00 0.00 C ATOM 945 CG GLU A 67 6.389 -0.679 -12.012 1.00 0.00 C ATOM 946 CD GLU A 67 6.957 -1.950 -12.611 1.00 0.00 C ATOM 947 OE1 GLU A 67 6.942 -2.991 -11.920 1.00 0.00 O ATOM 948 OE2 GLU A 67 7.415 -1.906 -13.772 1.00 0.00 O ATOM 0 H GLU A 67 2.281 0.032 -11.051 1.00 0.00 H new ATOM 0 HA GLU A 67 4.348 0.322 -13.128 1.00 0.00 H new ATOM 0 HB2 GLU A 67 4.926 -0.396 -10.477 1.00 0.00 H new ATOM 0 HB3 GLU A 67 4.805 -1.933 -11.309 1.00 0.00 H new ATOM 0 HG2 GLU A 67 6.372 0.101 -12.774 1.00 0.00 H new ATOM 0 HG3 GLU A 67 7.047 -0.332 -11.215 1.00 0.00 H new ATOM 955 N GLY A 68 3.515 -1.735 -14.273 1.00 0.00 N ATOM 956 CA GLY A 68 2.860 -2.797 -15.013 1.00 0.00 C ATOM 957 C GLY A 68 1.720 -2.288 -15.872 1.00 0.00 C ATOM 958 O GLY A 68 1.177 -1.212 -15.622 1.00 0.00 O ATOM 0 H GLY A 68 4.270 -1.266 -14.773 1.00 0.00 H new ATOM 0 HA2 GLY A 68 3.592 -3.299 -15.646 1.00 0.00 H new ATOM 0 HA3 GLY A 68 2.479 -3.541 -14.314 1.00 0.00 H new ATOM 962 N ASP A 69 1.355 -3.065 -16.887 1.00 0.00 N ATOM 963 CA ASP A 69 0.271 -2.689 -17.787 1.00 0.00 C ATOM 964 C ASP A 69 -1.084 -2.759 -17.084 1.00 0.00 C ATOM 965 O ASP A 69 -2.087 -2.272 -17.606 1.00 0.00 O ATOM 966 CB ASP A 69 0.266 -3.599 -19.017 1.00 0.00 C ATOM 967 CG ASP A 69 -0.089 -2.852 -20.288 1.00 0.00 C ATOM 968 OD1 ASP A 69 -1.058 -2.065 -20.262 1.00 0.00 O ATOM 969 OD2 ASP A 69 0.602 -3.056 -21.308 1.00 0.00 O ATOM 0 H ASP A 69 1.794 -3.959 -17.107 1.00 0.00 H new ATOM 0 HA ASP A 69 0.439 -1.659 -18.100 1.00 0.00 H new ATOM 0 HB2 ASP A 69 1.249 -4.057 -19.131 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -0.447 -4.409 -18.864 1.00 0.00 H new ATOM 974 N ASP A 70 -1.110 -3.366 -15.900 1.00 0.00 N ATOM 975 CA ASP A 70 -2.346 -3.496 -15.137 1.00 0.00 C ATOM 976 C ASP A 70 -2.523 -2.331 -14.163 1.00 0.00 C ATOM 977 O ASP A 70 -3.584 -2.174 -13.560 1.00 0.00 O ATOM 978 CB ASP A 70 -2.358 -4.821 -14.372 1.00 0.00 C ATOM 979 CG ASP A 70 -3.185 -5.883 -15.069 1.00 0.00 C ATOM 980 OD1 ASP A 70 -4.358 -5.603 -15.395 1.00 0.00 O ATOM 981 OD2 ASP A 70 -2.661 -6.995 -15.290 1.00 0.00 O ATOM 0 H ASP A 70 -0.291 -3.774 -15.450 1.00 0.00 H new ATOM 0 HA ASP A 70 -3.177 -3.479 -15.842 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -1.335 -5.179 -14.255 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -2.754 -4.655 -13.370 1.00 0.00 H new ATOM 986 N ASN A 71 -1.479 -1.518 -14.008 1.00 0.00 N ATOM 987 CA ASN A 71 -1.527 -0.375 -13.103 1.00 0.00 C ATOM 988 C ASN A 71 -1.602 -0.841 -11.658 1.00 0.00 C ATOM 989 O ASN A 71 -2.664 -0.813 -11.037 1.00 0.00 O ATOM 990 CB ASN A 71 -2.724 0.521 -13.428 1.00 0.00 C ATOM 991 CG ASN A 71 -2.809 0.860 -14.903 1.00 0.00 C ATOM 992 OD1 ASN A 71 -2.160 1.794 -15.375 1.00 0.00 O ATOM 993 ND2 ASN A 71 -3.612 0.101 -15.639 1.00 0.00 N ATOM 0 H ASN A 71 -0.591 -1.631 -14.498 1.00 0.00 H new ATOM 0 HA ASN A 71 -0.613 0.203 -13.238 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -3.642 0.022 -13.119 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -2.652 1.442 -12.850 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -3.710 0.281 -16.638 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -4.131 -0.663 -15.205 1.00 0.00 H new ATOM 1000 N ILE A 72 -0.465 -1.277 -11.131 1.00 0.00 N ATOM 1001 CA ILE A 72 -0.399 -1.759 -9.760 1.00 0.00 C ATOM 1002 C ILE A 72 0.294 -0.750 -8.845 1.00 0.00 C ATOM 1003 O ILE A 72 1.489 -0.490 -8.989 1.00 0.00 O ATOM 1004 CB ILE A 72 0.344 -3.106 -9.670 1.00 0.00 C ATOM 1005 CG1 ILE A 72 0.153 -3.921 -10.952 1.00 0.00 C ATOM 1006 CG2 ILE A 72 -0.146 -3.890 -8.465 1.00 0.00 C ATOM 1007 CD1 ILE A 72 -1.285 -4.320 -11.205 1.00 0.00 C ATOM 0 H ILE A 72 0.423 -1.306 -11.633 1.00 0.00 H new ATOM 0 HA ILE A 72 -1.429 -1.895 -9.430 1.00 0.00 H new ATOM 0 HB ILE A 72 1.409 -2.906 -9.553 1.00 0.00 H new ATOM 0 HG12 ILE A 72 0.515 -3.340 -11.800 1.00 0.00 H new ATOM 0 HG13 ILE A 72 0.767 -4.820 -10.896 1.00 0.00 H new ATOM 0 HG21 ILE A 72 0.384 -4.841 -8.409 1.00 0.00 H new ATOM 0 HG22 ILE A 72 0.041 -3.316 -7.557 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -1.215 -4.077 -8.563 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -1.346 -4.895 -12.129 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -1.645 -4.928 -10.375 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -1.901 -3.425 -11.293 1.00 0.00 H new ATOM 1019 N PRO A 73 -0.447 -0.167 -7.883 1.00 0.00 N ATOM 1020 CA PRO A 73 0.109 0.814 -6.942 1.00 0.00 C ATOM 1021 C PRO A 73 1.216 0.220 -6.078 1.00 0.00 C ATOM 1022 O PRO A 73 0.949 -0.514 -5.126 1.00 0.00 O ATOM 1023 CB PRO A 73 -1.092 1.211 -6.074 1.00 0.00 C ATOM 1024 CG PRO A 73 -2.075 0.105 -6.240 1.00 0.00 C ATOM 1025 CD PRO A 73 -1.876 -0.417 -7.633 1.00 0.00 C ATOM 0 HA PRO A 73 0.568 1.656 -7.460 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -0.802 1.327 -5.030 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -1.513 2.164 -6.396 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -1.909 -0.679 -5.502 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -3.094 0.464 -6.099 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -2.118 -1.477 -7.704 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -2.508 0.103 -8.353 1.00 0.00 H new ATOM 1033 N VAL A 74 2.460 0.540 -6.418 1.00 0.00 N ATOM 1034 CA VAL A 74 3.611 0.037 -5.677 1.00 0.00 C ATOM 1035 C VAL A 74 4.317 1.157 -4.916 1.00 0.00 C ATOM 1036 O VAL A 74 4.704 2.171 -5.496 1.00 0.00 O ATOM 1037 CB VAL A 74 4.612 -0.661 -6.618 1.00 0.00 C ATOM 1038 CG1 VAL A 74 4.967 0.239 -7.789 1.00 0.00 C ATOM 1039 CG2 VAL A 74 5.864 -1.092 -5.865 1.00 0.00 C ATOM 0 H VAL A 74 2.697 1.146 -7.203 1.00 0.00 H new ATOM 0 HA VAL A 74 3.236 -0.690 -4.956 1.00 0.00 H new ATOM 0 HB VAL A 74 4.134 -1.558 -7.011 1.00 0.00 H new ATOM 0 HG11 VAL A 74 5.675 -0.274 -8.440 1.00 0.00 H new ATOM 0 HG12 VAL A 74 4.064 0.478 -8.351 1.00 0.00 H new ATOM 0 HG13 VAL A 74 5.417 1.159 -7.417 1.00 0.00 H new ATOM 0 HG21 VAL A 74 6.552 -1.582 -6.554 1.00 0.00 H new ATOM 0 HG22 VAL A 74 6.347 -0.217 -5.431 1.00 0.00 H new ATOM 0 HG23 VAL A 74 5.590 -1.787 -5.071 1.00 0.00 H new ATOM 1049 N LEU A 75 4.477 0.960 -3.611 1.00 0.00 N ATOM 1050 CA LEU A 75 5.133 1.945 -2.759 1.00 0.00 C ATOM 1051 C LEU A 75 6.639 1.706 -2.713 1.00 0.00 C ATOM 1052 O LEU A 75 7.091 0.565 -2.622 1.00 0.00 O ATOM 1053 CB LEU A 75 4.550 1.887 -1.344 1.00 0.00 C ATOM 1054 CG LEU A 75 5.195 2.838 -0.334 1.00 0.00 C ATOM 1055 CD1 LEU A 75 4.743 4.270 -0.583 1.00 0.00 C ATOM 1056 CD2 LEU A 75 4.860 2.408 1.088 1.00 0.00 C ATOM 0 H LEU A 75 4.160 0.124 -3.120 1.00 0.00 H new ATOM 0 HA LEU A 75 4.955 2.935 -3.180 1.00 0.00 H new ATOM 0 HB2 LEU A 75 3.484 2.109 -1.398 1.00 0.00 H new ATOM 0 HB3 LEU A 75 4.645 0.867 -0.971 1.00 0.00 H new ATOM 0 HG LEU A 75 6.277 2.796 -0.461 1.00 0.00 H new ATOM 0 HD11 LEU A 75 5.212 4.931 0.145 1.00 0.00 H new ATOM 0 HD12 LEU A 75 5.033 4.573 -1.589 1.00 0.00 H new ATOM 0 HD13 LEU A 75 3.659 4.332 -0.484 1.00 0.00 H new ATOM 0 HD21 LEU A 75 5.326 3.094 1.795 1.00 0.00 H new ATOM 0 HD22 LEU A 75 3.779 2.422 1.227 1.00 0.00 H new ATOM 0 HD23 LEU A 75 5.235 1.399 1.261 1.00 0.00 H new ATOM 1068 N ARG A 76 7.410 2.787 -2.777 1.00 0.00 N ATOM 1069 CA ARG A 76 8.865 2.692 -2.744 1.00 0.00 C ATOM 1070 C ARG A 76 9.450 3.630 -1.693 1.00 0.00 C ATOM 1071 O ARG A 76 9.028 4.779 -1.569 1.00 0.00 O ATOM 1072 CB ARG A 76 9.449 3.027 -4.117 1.00 0.00 C ATOM 1073 CG ARG A 76 9.397 1.869 -5.101 1.00 0.00 C ATOM 1074 CD ARG A 76 9.600 2.341 -6.533 1.00 0.00 C ATOM 1075 NE ARG A 76 8.838 3.554 -6.828 1.00 0.00 N ATOM 1076 CZ ARG A 76 9.186 4.443 -7.757 1.00 0.00 C ATOM 1077 NH1 ARG A 76 10.267 4.249 -8.503 1.00 0.00 N ATOM 1078 NH2 ARG A 76 8.447 5.528 -7.945 1.00 0.00 N ATOM 0 H ARG A 76 7.051 3.739 -2.852 1.00 0.00 H new ATOM 0 HA ARG A 76 9.129 1.668 -2.480 1.00 0.00 H new ATOM 0 HB2 ARG A 76 8.906 3.874 -4.537 1.00 0.00 H new ATOM 0 HB3 ARG A 76 10.485 3.342 -3.994 1.00 0.00 H new ATOM 0 HG2 ARG A 76 10.165 1.139 -4.846 1.00 0.00 H new ATOM 0 HG3 ARG A 76 8.435 1.362 -5.017 1.00 0.00 H new ATOM 0 HD2 ARG A 76 10.660 2.529 -6.705 1.00 0.00 H new ATOM 0 HD3 ARG A 76 9.301 1.550 -7.220 1.00 0.00 H new ATOM 0 HE ARG A 76 7.989 3.730 -6.290 1.00 0.00 H new ATOM 0 HH11 ARG A 76 10.838 3.415 -8.367 1.00 0.00 H new ATOM 0 HH12 ARG A 76 10.527 4.934 -9.212 1.00 0.00 H new ATOM 0 HH21 ARG A 76 7.613 5.681 -7.378 1.00 0.00 H new ATOM 0 HH22 ARG A 76 8.713 6.209 -8.656 1.00 0.00 H new ATOM 1092 N ALA A 77 10.425 3.132 -0.939 1.00 0.00 N ATOM 1093 CA ALA A 77 11.066 3.930 0.100 1.00 0.00 C ATOM 1094 C ALA A 77 12.356 3.278 0.584 1.00 0.00 C ATOM 1095 O ALA A 77 12.431 2.058 0.729 1.00 0.00 O ATOM 1096 CB ALA A 77 10.114 4.134 1.268 1.00 0.00 C ATOM 0 H ALA A 77 10.787 2.183 -1.028 1.00 0.00 H new ATOM 0 HA ALA A 77 11.319 4.899 -0.330 1.00 0.00 H new ATOM 0 HB1 ALA A 77 10.604 4.731 2.037 1.00 0.00 H new ATOM 0 HB2 ALA A 77 9.219 4.652 0.922 1.00 0.00 H new ATOM 0 HB3 ALA A 77 9.835 3.166 1.683 1.00 0.00 H new ATOM 1102 N GLU A 78 13.367 4.101 0.844 1.00 0.00 N ATOM 1103 CA GLU A 78 14.649 3.604 1.327 1.00 0.00 C ATOM 1104 C GLU A 78 14.535 3.193 2.790 1.00 0.00 C ATOM 1105 O GLU A 78 14.462 4.042 3.678 1.00 0.00 O ATOM 1106 CB GLU A 78 15.732 4.673 1.165 1.00 0.00 C ATOM 1107 CG GLU A 78 16.141 4.911 -0.280 1.00 0.00 C ATOM 1108 CD GLU A 78 17.632 5.140 -0.434 1.00 0.00 C ATOM 1109 OE1 GLU A 78 18.383 4.144 -0.485 1.00 0.00 O ATOM 1110 OE2 GLU A 78 18.048 6.315 -0.504 1.00 0.00 O ATOM 0 H GLU A 78 13.323 5.113 0.728 1.00 0.00 H new ATOM 0 HA GLU A 78 14.928 2.732 0.735 1.00 0.00 H new ATOM 0 HB2 GLU A 78 15.373 5.610 1.591 1.00 0.00 H new ATOM 0 HB3 GLU A 78 16.611 4.378 1.739 1.00 0.00 H new ATOM 0 HG2 GLU A 78 15.845 4.053 -0.884 1.00 0.00 H new ATOM 0 HG3 GLU A 78 15.602 5.775 -0.669 1.00 0.00 H new ATOM 1117 N LEU A 79 14.506 1.888 3.034 1.00 0.00 N ATOM 1118 CA LEU A 79 14.382 1.369 4.391 1.00 0.00 C ATOM 1119 C LEU A 79 15.748 1.119 5.020 1.00 0.00 C ATOM 1120 O LEU A 79 16.705 0.757 4.336 1.00 0.00 O ATOM 1121 CB LEU A 79 13.568 0.075 4.387 1.00 0.00 C ATOM 1122 CG LEU A 79 12.062 0.258 4.193 1.00 0.00 C ATOM 1123 CD1 LEU A 79 11.425 -1.039 3.720 1.00 0.00 C ATOM 1124 CD2 LEU A 79 11.412 0.734 5.483 1.00 0.00 C ATOM 0 H LEU A 79 14.567 1.171 2.311 1.00 0.00 H new ATOM 0 HA LEU A 79 13.867 2.121 4.989 1.00 0.00 H new ATOM 0 HB2 LEU A 79 13.945 -0.571 3.594 1.00 0.00 H new ATOM 0 HB3 LEU A 79 13.737 -0.445 5.330 1.00 0.00 H new ATOM 0 HG LEU A 79 11.903 1.018 3.428 1.00 0.00 H new ATOM 0 HD11 LEU A 79 10.353 -0.891 3.587 1.00 0.00 H new ATOM 0 HD12 LEU A 79 11.870 -1.338 2.771 1.00 0.00 H new ATOM 0 HD13 LEU A 79 11.594 -1.819 4.462 1.00 0.00 H new ATOM 0 HD21 LEU A 79 10.341 0.859 5.326 1.00 0.00 H new ATOM 0 HD22 LEU A 79 11.580 -0.003 6.269 1.00 0.00 H new ATOM 0 HD23 LEU A 79 11.849 1.688 5.780 1.00 0.00 H new ATOM 1136 N ASN A 80 15.822 1.311 6.333 1.00 0.00 N ATOM 1137 CA ASN A 80 17.061 1.105 7.073 1.00 0.00 C ATOM 1138 C ASN A 80 17.097 -0.298 7.678 1.00 0.00 C ATOM 1139 O ASN A 80 16.394 -0.578 8.649 1.00 0.00 O ATOM 1140 CB ASN A 80 17.194 2.152 8.181 1.00 0.00 C ATOM 1141 CG ASN A 80 17.845 3.431 7.693 1.00 0.00 C ATOM 1142 OD1 ASN A 80 18.965 3.760 8.085 1.00 0.00 O ATOM 1143 ND2 ASN A 80 17.144 4.162 6.835 1.00 0.00 N ATOM 0 H ASN A 80 15.035 1.610 6.908 1.00 0.00 H new ATOM 0 HA ASN A 80 17.897 1.210 6.381 1.00 0.00 H new ATOM 0 HB2 ASN A 80 16.206 2.380 8.582 1.00 0.00 H new ATOM 0 HB3 ASN A 80 17.782 1.738 9.000 1.00 0.00 H new ATOM 0 HD21 ASN A 80 17.530 5.034 6.474 1.00 0.00 H new ATOM 0 HD22 ASN A 80 16.219 3.851 6.537 1.00 0.00 H new ATOM 1150 N PRO A 81 17.914 -1.204 7.111 1.00 0.00 N ATOM 1151 CA PRO A 81 18.025 -2.579 7.605 1.00 0.00 C ATOM 1152 C PRO A 81 18.842 -2.671 8.888 1.00 0.00 C ATOM 1153 O PRO A 81 19.519 -1.719 9.276 1.00 0.00 O ATOM 1154 CB PRO A 81 18.743 -3.298 6.465 1.00 0.00 C ATOM 1155 CG PRO A 81 19.579 -2.242 5.832 1.00 0.00 C ATOM 1156 CD PRO A 81 18.789 -0.965 5.947 1.00 0.00 C ATOM 0 HA PRO A 81 17.054 -3.004 7.857 1.00 0.00 H new ATOM 0 HB2 PRO A 81 19.355 -4.120 6.836 1.00 0.00 H new ATOM 0 HB3 PRO A 81 18.034 -3.723 5.754 1.00 0.00 H new ATOM 0 HG2 PRO A 81 20.542 -2.152 6.335 1.00 0.00 H new ATOM 0 HG3 PRO A 81 19.786 -2.481 4.789 1.00 0.00 H new ATOM 0 HD2 PRO A 81 19.439 -0.104 6.104 1.00 0.00 H new ATOM 0 HD3 PRO A 81 18.211 -0.768 5.044 1.00 0.00 H new ATOM 1164 N MET A 82 18.777 -3.826 9.540 1.00 0.00 N ATOM 1165 CA MET A 82 19.514 -4.048 10.778 1.00 0.00 C ATOM 1166 C MET A 82 20.988 -4.324 10.492 1.00 0.00 C ATOM 1167 O MET A 82 21.844 -4.133 11.356 1.00 0.00 O ATOM 1168 CB MET A 82 18.906 -5.216 11.556 1.00 0.00 C ATOM 1169 CG MET A 82 18.778 -6.491 10.739 1.00 0.00 C ATOM 1170 SD MET A 82 18.971 -7.979 11.738 1.00 0.00 S ATOM 1171 CE MET A 82 19.669 -9.108 10.535 1.00 0.00 C ATOM 0 H MET A 82 18.221 -4.624 9.232 1.00 0.00 H new ATOM 0 HA MET A 82 19.443 -3.143 11.381 1.00 0.00 H new ATOM 0 HB2 MET A 82 19.521 -5.417 12.433 1.00 0.00 H new ATOM 0 HB3 MET A 82 17.920 -4.926 11.918 1.00 0.00 H new ATOM 0 HG2 MET A 82 17.803 -6.509 10.252 1.00 0.00 H new ATOM 0 HG3 MET A 82 19.529 -6.489 9.949 1.00 0.00 H new ATOM 0 HE1 MET A 82 19.311 -10.118 10.733 1.00 0.00 H new ATOM 0 HE2 MET A 82 19.365 -8.805 9.533 1.00 0.00 H new ATOM 0 HE3 MET A 82 20.757 -9.088 10.606 1.00 0.00 H new ATOM 1181 N ASP A 83 21.279 -4.775 9.274 1.00 0.00 N ATOM 1182 CA ASP A 83 22.650 -5.075 8.878 1.00 0.00 C ATOM 1183 C ASP A 83 23.457 -3.793 8.700 1.00 0.00 C ATOM 1184 O ASP A 83 24.580 -3.681 9.191 1.00 0.00 O ATOM 1185 CB ASP A 83 22.662 -5.883 7.579 1.00 0.00 C ATOM 1186 CG ASP A 83 22.638 -7.378 7.828 1.00 0.00 C ATOM 1187 OD1 ASP A 83 22.149 -7.794 8.899 1.00 0.00 O ATOM 1188 OD2 ASP A 83 23.110 -8.133 6.952 1.00 0.00 O ATOM 0 H ASP A 83 20.584 -4.940 8.546 1.00 0.00 H new ATOM 0 HA ASP A 83 23.110 -5.666 9.670 1.00 0.00 H new ATOM 0 HB2 ASP A 83 21.800 -5.604 6.973 1.00 0.00 H new ATOM 0 HB3 ASP A 83 23.552 -5.628 7.004 1.00 0.00 H new ATOM 1193 N GLY A 84 22.876 -2.827 7.996 1.00 0.00 N ATOM 1194 CA GLY A 84 23.555 -1.565 7.768 1.00 0.00 C ATOM 1195 C GLY A 84 23.391 -1.066 6.346 1.00 0.00 C ATOM 1196 O GLY A 84 23.214 -1.856 5.419 1.00 0.00 O ATOM 0 H GLY A 84 21.947 -2.896 7.579 1.00 0.00 H new ATOM 0 HA2 GLY A 84 23.166 -0.817 8.459 1.00 0.00 H new ATOM 0 HA3 GLY A 84 24.616 -1.682 7.988 1.00 0.00 H new ATOM 1200 N ASP A 85 23.450 0.252 6.174 1.00 0.00 N ATOM 1201 CA ASP A 85 23.308 0.863 4.857 1.00 0.00 C ATOM 1202 C ASP A 85 21.889 0.678 4.320 1.00 0.00 C ATOM 1203 O ASP A 85 21.532 -0.404 3.853 1.00 0.00 O ATOM 1204 CB ASP A 85 24.319 0.262 3.877 1.00 0.00 C ATOM 1205 CG ASP A 85 24.921 1.305 2.955 1.00 0.00 C ATOM 1206 OD1 ASP A 85 24.176 2.203 2.509 1.00 0.00 O ATOM 1207 OD2 ASP A 85 26.136 1.223 2.680 1.00 0.00 O ATOM 0 H ASP A 85 23.596 0.918 6.933 1.00 0.00 H new ATOM 0 HA ASP A 85 23.503 1.931 4.958 1.00 0.00 H new ATOM 0 HB2 ASP A 85 25.116 -0.228 4.436 1.00 0.00 H new ATOM 0 HB3 ASP A 85 23.829 -0.507 3.280 1.00 0.00 H new ATOM 1212 N PRO A 86 21.058 1.735 4.377 1.00 0.00 N ATOM 1213 CA PRO A 86 19.675 1.677 3.891 1.00 0.00 C ATOM 1214 C PRO A 86 19.583 1.126 2.472 1.00 0.00 C ATOM 1215 O PRO A 86 20.492 1.312 1.664 1.00 0.00 O ATOM 1216 CB PRO A 86 19.223 3.138 3.928 1.00 0.00 C ATOM 1217 CG PRO A 86 20.071 3.770 4.976 1.00 0.00 C ATOM 1218 CD PRO A 86 21.398 3.066 4.916 1.00 0.00 C ATOM 0 HA PRO A 86 19.058 1.012 4.495 1.00 0.00 H new ATOM 0 HB2 PRO A 86 19.364 3.621 2.961 1.00 0.00 H new ATOM 0 HB3 PRO A 86 18.164 3.219 4.174 1.00 0.00 H new ATOM 0 HG2 PRO A 86 20.187 4.838 4.792 1.00 0.00 H new ATOM 0 HG3 PRO A 86 19.617 3.664 5.961 1.00 0.00 H new ATOM 0 HD2 PRO A 86 22.103 3.592 4.272 1.00 0.00 H new ATOM 0 HD3 PRO A 86 21.859 2.994 5.901 1.00 0.00 H new ATOM 1226 N VAL A 87 18.480 0.447 2.176 1.00 0.00 N ATOM 1227 CA VAL A 87 18.271 -0.131 0.855 1.00 0.00 C ATOM 1228 C VAL A 87 16.904 0.256 0.297 1.00 0.00 C ATOM 1229 O VAL A 87 15.919 0.321 1.031 1.00 0.00 O ATOM 1230 CB VAL A 87 18.388 -1.668 0.890 1.00 0.00 C ATOM 1231 CG1 VAL A 87 17.329 -2.268 1.802 1.00 0.00 C ATOM 1232 CG2 VAL A 87 18.284 -2.246 -0.514 1.00 0.00 C ATOM 0 H VAL A 87 17.717 0.284 2.833 1.00 0.00 H new ATOM 0 HA VAL A 87 19.050 0.268 0.206 1.00 0.00 H new ATOM 0 HB VAL A 87 19.367 -1.927 1.293 1.00 0.00 H new ATOM 0 HG11 VAL A 87 17.430 -3.353 1.812 1.00 0.00 H new ATOM 0 HG12 VAL A 87 17.459 -1.882 2.813 1.00 0.00 H new ATOM 0 HG13 VAL A 87 16.338 -1.999 1.435 1.00 0.00 H new ATOM 0 HG21 VAL A 87 18.369 -3.332 -0.468 1.00 0.00 H new ATOM 0 HG22 VAL A 87 17.322 -1.975 -0.948 1.00 0.00 H new ATOM 0 HG23 VAL A 87 19.087 -1.845 -1.133 1.00 0.00 H new ATOM 1242 N GLU A 88 16.854 0.511 -1.007 1.00 0.00 N ATOM 1243 CA GLU A 88 15.609 0.891 -1.663 1.00 0.00 C ATOM 1244 C GLU A 88 14.604 -0.256 -1.627 1.00 0.00 C ATOM 1245 O GLU A 88 14.811 -1.295 -2.254 1.00 0.00 O ATOM 1246 CB GLU A 88 15.878 1.309 -3.111 1.00 0.00 C ATOM 1247 CG GLU A 88 15.466 2.741 -3.417 1.00 0.00 C ATOM 1248 CD GLU A 88 16.620 3.586 -3.923 1.00 0.00 C ATOM 1249 OE1 GLU A 88 17.449 3.058 -4.693 1.00 0.00 O ATOM 1250 OE2 GLU A 88 16.693 4.776 -3.549 1.00 0.00 O ATOM 0 H GLU A 88 17.661 0.461 -1.629 1.00 0.00 H new ATOM 0 HA GLU A 88 15.185 1.737 -1.123 1.00 0.00 H new ATOM 0 HB2 GLU A 88 16.941 1.192 -3.323 1.00 0.00 H new ATOM 0 HB3 GLU A 88 15.344 0.635 -3.780 1.00 0.00 H new ATOM 0 HG2 GLU A 88 14.671 2.735 -4.163 1.00 0.00 H new ATOM 0 HG3 GLU A 88 15.055 3.197 -2.516 1.00 0.00 H new ATOM 1257 N ALA A 89 13.516 -0.060 -0.890 1.00 0.00 N ATOM 1258 CA ALA A 89 12.480 -1.077 -0.774 1.00 0.00 C ATOM 1259 C ALA A 89 11.250 -0.700 -1.592 1.00 0.00 C ATOM 1260 O ALA A 89 10.882 0.473 -1.673 1.00 0.00 O ATOM 1261 CB ALA A 89 12.103 -1.283 0.686 1.00 0.00 C ATOM 0 H ALA A 89 13.330 0.794 -0.364 1.00 0.00 H new ATOM 0 HA ALA A 89 12.876 -2.012 -1.170 1.00 0.00 H new ATOM 0 HB1 ALA A 89 11.328 -2.046 0.757 1.00 0.00 H new ATOM 0 HB2 ALA A 89 12.981 -1.604 1.247 1.00 0.00 H new ATOM 0 HB3 ALA A 89 11.730 -0.347 1.101 1.00 0.00 H new ATOM 1267 N ASN A 90 10.617 -1.699 -2.196 1.00 0.00 N ATOM 1268 CA ASN A 90 9.428 -1.468 -3.007 1.00 0.00 C ATOM 1269 C ASN A 90 8.403 -2.580 -2.801 1.00 0.00 C ATOM 1270 O ASN A 90 8.694 -3.755 -3.023 1.00 0.00 O ATOM 1271 CB ASN A 90 9.804 -1.363 -4.490 1.00 0.00 C ATOM 1272 CG ASN A 90 10.135 -2.707 -5.112 1.00 0.00 C ATOM 1273 OD1 ASN A 90 9.454 -3.164 -6.030 1.00 0.00 O ATOM 1274 ND2 ASN A 90 11.184 -3.348 -4.612 1.00 0.00 N ATOM 0 H ASN A 90 10.907 -2.675 -2.140 1.00 0.00 H new ATOM 0 HA ASN A 90 8.980 -0.526 -2.690 1.00 0.00 H new ATOM 0 HB2 ASN A 90 8.978 -0.908 -5.038 1.00 0.00 H new ATOM 0 HB3 ASN A 90 10.661 -0.698 -4.596 1.00 0.00 H new ATOM 0 HD21 ASN A 90 11.454 -4.257 -4.989 1.00 0.00 H new ATOM 0 HD22 ASN A 90 11.721 -2.932 -3.851 1.00 0.00 H new ATOM 1281 N VAL A 91 7.201 -2.201 -2.378 1.00 0.00 N ATOM 1282 CA VAL A 91 6.137 -3.169 -2.147 1.00 0.00 C ATOM 1283 C VAL A 91 4.855 -2.757 -2.862 1.00 0.00 C ATOM 1284 O VAL A 91 4.471 -1.588 -2.847 1.00 0.00 O ATOM 1285 CB VAL A 91 5.843 -3.342 -0.643 1.00 0.00 C ATOM 1286 CG1 VAL A 91 5.318 -2.046 -0.043 1.00 0.00 C ATOM 1287 CG2 VAL A 91 4.858 -4.479 -0.419 1.00 0.00 C ATOM 0 H VAL A 91 6.941 -1.233 -2.189 1.00 0.00 H new ATOM 0 HA VAL A 91 6.485 -4.120 -2.549 1.00 0.00 H new ATOM 0 HB VAL A 91 6.776 -3.594 -0.139 1.00 0.00 H new ATOM 0 HG11 VAL A 91 5.117 -2.191 1.018 1.00 0.00 H new ATOM 0 HG12 VAL A 91 6.063 -1.260 -0.167 1.00 0.00 H new ATOM 0 HG13 VAL A 91 4.397 -1.757 -0.550 1.00 0.00 H new ATOM 0 HG21 VAL A 91 4.663 -4.586 0.648 1.00 0.00 H new ATOM 0 HG22 VAL A 91 3.925 -4.260 -0.939 1.00 0.00 H new ATOM 0 HG23 VAL A 91 5.279 -5.407 -0.806 1.00 0.00 H new ATOM 1297 N ASN A 92 4.195 -3.727 -3.485 1.00 0.00 N ATOM 1298 CA ASN A 92 2.955 -3.468 -4.203 1.00 0.00 C ATOM 1299 C ASN A 92 1.752 -3.672 -3.283 1.00 0.00 C ATOM 1300 O ASN A 92 1.437 -4.796 -2.897 1.00 0.00 O ATOM 1301 CB ASN A 92 2.868 -4.375 -5.440 1.00 0.00 C ATOM 1302 CG ASN A 92 1.444 -4.722 -5.836 1.00 0.00 C ATOM 1303 OD1 ASN A 92 0.539 -3.895 -5.731 1.00 0.00 O ATOM 1304 ND2 ASN A 92 1.242 -5.953 -6.293 1.00 0.00 N ATOM 0 H ASN A 92 4.499 -4.700 -3.507 1.00 0.00 H new ATOM 0 HA ASN A 92 2.946 -2.430 -4.537 1.00 0.00 H new ATOM 0 HB2 ASN A 92 3.360 -3.882 -6.278 1.00 0.00 H new ATOM 0 HB3 ASN A 92 3.417 -5.296 -5.245 1.00 0.00 H new ATOM 0 HD21 ASN A 92 0.306 -6.246 -6.574 1.00 0.00 H new ATOM 0 HD22 ASN A 92 2.023 -6.606 -6.363 1.00 0.00 H new ATOM 1311 N LEU A 93 1.085 -2.573 -2.936 1.00 0.00 N ATOM 1312 CA LEU A 93 -0.083 -2.626 -2.059 1.00 0.00 C ATOM 1313 C LEU A 93 -1.078 -3.679 -2.536 1.00 0.00 C ATOM 1314 O LEU A 93 -1.687 -4.384 -1.733 1.00 0.00 O ATOM 1315 CB LEU A 93 -0.762 -1.256 -1.997 1.00 0.00 C ATOM 1316 CG LEU A 93 0.142 -0.105 -1.550 1.00 0.00 C ATOM 1317 CD1 LEU A 93 -0.567 1.229 -1.727 1.00 0.00 C ATOM 1318 CD2 LEU A 93 0.571 -0.296 -0.103 1.00 0.00 C ATOM 0 H LEU A 93 1.334 -1.635 -3.249 1.00 0.00 H new ATOM 0 HA LEU A 93 0.257 -2.902 -1.061 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -1.163 -1.021 -2.983 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -1.610 -1.318 -1.315 1.00 0.00 H new ATOM 0 HG LEU A 93 1.035 -0.104 -2.175 1.00 0.00 H new ATOM 0 HD11 LEU A 93 0.091 2.036 -1.404 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -0.824 1.368 -2.777 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -1.477 1.240 -1.127 1.00 0.00 H new ATOM 0 HD21 LEU A 93 1.213 0.531 0.198 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -0.311 -0.323 0.537 1.00 0.00 H new ATOM 0 HD23 LEU A 93 1.118 -1.234 -0.006 1.00 0.00 H new ATOM 1330 N SER A 94 -1.229 -3.786 -3.852 1.00 0.00 N ATOM 1331 CA SER A 94 -2.142 -4.758 -4.443 1.00 0.00 C ATOM 1332 C SER A 94 -1.760 -6.187 -4.055 1.00 0.00 C ATOM 1333 O SER A 94 -2.538 -7.118 -4.249 1.00 0.00 O ATOM 1334 CB SER A 94 -2.151 -4.618 -5.966 1.00 0.00 C ATOM 1335 OG SER A 94 -2.191 -3.257 -6.352 1.00 0.00 O ATOM 0 H SER A 94 -0.730 -3.211 -4.531 1.00 0.00 H new ATOM 0 HA SER A 94 -3.141 -4.555 -4.056 1.00 0.00 H new ATOM 0 HB2 SER A 94 -1.262 -5.092 -6.383 1.00 0.00 H new ATOM 0 HB3 SER A 94 -3.014 -5.141 -6.377 1.00 0.00 H new ATOM 0 HG SER A 94 -2.667 -2.738 -5.671 1.00 0.00 H new ATOM 1341 N GLU A 95 -0.558 -6.358 -3.516 1.00 0.00 N ATOM 1342 CA GLU A 95 -0.085 -7.676 -3.112 1.00 0.00 C ATOM 1343 C GLU A 95 -1.006 -8.297 -2.067 1.00 0.00 C ATOM 1344 O GLU A 95 -1.382 -9.464 -2.175 1.00 0.00 O ATOM 1345 CB GLU A 95 1.335 -7.583 -2.555 1.00 0.00 C ATOM 1346 CG GLU A 95 2.401 -7.424 -3.627 1.00 0.00 C ATOM 1347 CD GLU A 95 3.508 -8.454 -3.509 1.00 0.00 C ATOM 1348 OE1 GLU A 95 3.200 -9.663 -3.550 1.00 0.00 O ATOM 1349 OE2 GLU A 95 4.683 -8.051 -3.375 1.00 0.00 O ATOM 0 H GLU A 95 0.105 -5.601 -3.349 1.00 0.00 H new ATOM 0 HA GLU A 95 -0.086 -8.314 -3.996 1.00 0.00 H new ATOM 0 HB2 GLU A 95 1.393 -6.738 -1.869 1.00 0.00 H new ATOM 0 HB3 GLU A 95 1.548 -8.480 -1.974 1.00 0.00 H new ATOM 0 HG2 GLU A 95 1.937 -7.506 -4.610 1.00 0.00 H new ATOM 0 HG3 GLU A 95 2.831 -6.425 -3.560 1.00 0.00 H new ATOM 1356 N ARG A 96 -1.357 -7.517 -1.049 1.00 0.00 N ATOM 1357 CA ARG A 96 -2.224 -8.005 0.019 1.00 0.00 C ATOM 1358 C ARG A 96 -3.226 -6.942 0.455 1.00 0.00 C ATOM 1359 O ARG A 96 -3.499 -6.787 1.646 1.00 0.00 O ATOM 1360 CB ARG A 96 -1.383 -8.445 1.218 1.00 0.00 C ATOM 1361 CG ARG A 96 -0.466 -9.618 0.919 1.00 0.00 C ATOM 1362 CD ARG A 96 -1.023 -10.914 1.482 1.00 0.00 C ATOM 1363 NE ARG A 96 -0.659 -11.100 2.885 1.00 0.00 N ATOM 1364 CZ ARG A 96 -1.137 -12.077 3.652 1.00 0.00 C ATOM 1365 NH1 ARG A 96 -1.998 -12.958 3.157 1.00 0.00 N ATOM 1366 NH2 ARG A 96 -0.752 -12.174 4.917 1.00 0.00 N ATOM 0 H ARG A 96 -1.056 -6.548 -0.941 1.00 0.00 H new ATOM 0 HA ARG A 96 -2.782 -8.857 -0.369 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -0.782 -7.602 1.559 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -2.048 -8.714 2.039 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -0.335 -9.714 -0.159 1.00 0.00 H new ATOM 0 HG3 ARG A 96 0.520 -9.429 1.344 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -2.109 -10.915 1.386 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -0.650 -11.754 0.896 1.00 0.00 H new ATOM 0 HE ARG A 96 0.000 -10.442 3.301 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -2.296 -12.888 2.184 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -2.361 -13.705 3.750 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -0.090 -11.500 5.302 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -1.118 -12.922 5.505 1.00 0.00 H new ATOM 1380 N ILE A 97 -3.782 -6.219 -0.509 1.00 0.00 N ATOM 1381 CA ILE A 97 -4.761 -5.184 -0.207 1.00 0.00 C ATOM 1382 C ILE A 97 -6.050 -5.427 -0.983 1.00 0.00 C ATOM 1383 O ILE A 97 -6.056 -5.410 -2.211 1.00 0.00 O ATOM 1384 CB ILE A 97 -4.209 -3.781 -0.543 1.00 0.00 C ATOM 1385 CG1 ILE A 97 -3.059 -3.428 0.404 1.00 0.00 C ATOM 1386 CG2 ILE A 97 -5.308 -2.728 -0.464 1.00 0.00 C ATOM 1387 CD1 ILE A 97 -3.497 -3.219 1.838 1.00 0.00 C ATOM 0 H ILE A 97 -3.573 -6.330 -1.501 1.00 0.00 H new ATOM 0 HA ILE A 97 -4.971 -5.228 0.862 1.00 0.00 H new ATOM 0 HB ILE A 97 -3.832 -3.796 -1.566 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -2.316 -4.225 0.372 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -2.570 -2.522 0.046 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -4.892 -1.750 -0.705 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -6.097 -2.972 -1.175 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -5.721 -2.708 0.544 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -2.630 -2.972 2.451 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -4.218 -2.402 1.883 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -3.959 -4.132 2.214 1.00 0.00 H new ATOM 1399 N GLY A 98 -7.140 -5.648 -0.260 1.00 0.00 N ATOM 1400 CA GLY A 98 -8.415 -5.895 -0.905 1.00 0.00 C ATOM 1401 C GLY A 98 -9.453 -4.839 -0.576 1.00 0.00 C ATOM 1402 O GLY A 98 -9.152 -3.848 0.088 1.00 0.00 O ATOM 0 H GLY A 98 -7.164 -5.661 0.760 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -8.270 -5.932 -1.985 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -8.788 -6.873 -0.600 1.00 0.00 H new ATOM 1406 N ASN A 99 -10.679 -5.057 -1.040 1.00 0.00 N ATOM 1407 CA ASN A 99 -11.770 -4.123 -0.790 1.00 0.00 C ATOM 1408 C ASN A 99 -13.032 -4.867 -0.364 1.00 0.00 C ATOM 1409 O ASN A 99 -13.728 -5.452 -1.193 1.00 0.00 O ATOM 1410 CB ASN A 99 -12.055 -3.289 -2.040 1.00 0.00 C ATOM 1411 CG ASN A 99 -12.312 -4.149 -3.262 1.00 0.00 C ATOM 1412 OD1 ASN A 99 -11.568 -5.088 -3.542 1.00 0.00 O ATOM 1413 ND2 ASN A 99 -13.371 -3.830 -3.997 1.00 0.00 N ATOM 0 H ASN A 99 -10.942 -5.874 -1.592 1.00 0.00 H new ATOM 0 HA ASN A 99 -11.468 -3.458 0.019 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -12.921 -2.652 -1.859 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -11.209 -2.630 -2.234 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -13.595 -4.372 -4.831 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -13.961 -3.043 -3.727 1.00 0.00 H new ATOM 1420 N ASP A 100 -13.320 -4.842 0.933 1.00 0.00 N ATOM 1421 CA ASP A 100 -14.499 -5.515 1.467 1.00 0.00 C ATOM 1422 C ASP A 100 -15.692 -4.567 1.512 1.00 0.00 C ATOM 1423 O ASP A 100 -15.672 -3.562 2.222 1.00 0.00 O ATOM 1424 CB ASP A 100 -14.211 -6.060 2.867 1.00 0.00 C ATOM 1425 CG ASP A 100 -15.333 -6.936 3.389 1.00 0.00 C ATOM 1426 OD1 ASP A 100 -16.099 -7.475 2.563 1.00 0.00 O ATOM 1427 OD2 ASP A 100 -15.445 -7.084 4.624 1.00 0.00 O ATOM 0 H ASP A 100 -12.754 -4.363 1.634 1.00 0.00 H new ATOM 0 HA ASP A 100 -14.744 -6.346 0.805 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -13.285 -6.634 2.847 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -14.055 -5.227 3.553 1.00 0.00 H new ATOM 1432 N CYS A 101 -16.732 -4.894 0.750 1.00 0.00 N ATOM 1433 CA CYS A 101 -17.936 -4.071 0.702 1.00 0.00 C ATOM 1434 C CYS A 101 -17.593 -2.623 0.365 1.00 0.00 C ATOM 1435 O CYS A 101 -18.283 -1.696 0.790 1.00 0.00 O ATOM 1436 CB CYS A 101 -18.675 -4.134 2.040 1.00 0.00 C ATOM 1437 SG CYS A 101 -20.342 -3.437 1.996 1.00 0.00 S ATOM 0 H CYS A 101 -16.765 -5.723 0.157 1.00 0.00 H new ATOM 0 HA CYS A 101 -18.583 -4.464 -0.082 1.00 0.00 H new ATOM 0 HB2 CYS A 101 -18.736 -5.174 2.360 1.00 0.00 H new ATOM 0 HB3 CYS A 101 -18.090 -3.603 2.791 1.00 0.00 H new ATOM 0 HG CYS A 101 -20.309 -2.269 1.426 1.00 0.00 H new ATOM 1443 N GLY A 102 -16.522 -2.437 -0.399 1.00 0.00 N ATOM 1444 CA GLY A 102 -16.104 -1.100 -0.778 1.00 0.00 C ATOM 1445 C GLY A 102 -15.082 -0.515 0.179 1.00 0.00 C ATOM 1446 O GLY A 102 -14.422 0.473 -0.139 1.00 0.00 O ATOM 0 H GLY A 102 -15.936 -3.188 -0.763 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -15.682 -1.126 -1.783 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -16.976 -0.448 -0.816 1.00 0.00 H new ATOM 1450 N THR A 103 -14.951 -1.124 1.355 1.00 0.00 N ATOM 1451 CA THR A 103 -14.003 -0.653 2.358 1.00 0.00 C ATOM 1452 C THR A 103 -12.623 -1.262 2.129 1.00 0.00 C ATOM 1453 O THR A 103 -12.503 -2.396 1.667 1.00 0.00 O ATOM 1454 CB THR A 103 -14.499 -0.999 3.763 1.00 0.00 C ATOM 1455 OG1 THR A 103 -15.819 -0.523 3.959 1.00 0.00 O ATOM 1456 CG2 THR A 103 -13.634 -0.420 4.862 1.00 0.00 C ATOM 0 H THR A 103 -15.489 -1.944 1.635 1.00 0.00 H new ATOM 0 HA THR A 103 -13.923 0.430 2.266 1.00 0.00 H new ATOM 0 HB THR A 103 -14.458 -2.086 3.825 1.00 0.00 H new ATOM 0 HG1 THR A 103 -16.120 -0.755 4.862 1.00 0.00 H new ATOM 0 HG21 THR A 103 -14.041 -0.703 5.833 1.00 0.00 H new ATOM 0 HG22 THR A 103 -12.619 -0.806 4.768 1.00 0.00 H new ATOM 0 HG23 THR A 103 -13.618 0.667 4.778 1.00 0.00 H new ATOM 1464 N LEU A 104 -11.584 -0.500 2.456 1.00 0.00 N ATOM 1465 CA LEU A 104 -10.212 -0.963 2.285 1.00 0.00 C ATOM 1466 C LEU A 104 -9.859 -2.016 3.331 1.00 0.00 C ATOM 1467 O LEU A 104 -10.037 -1.799 4.530 1.00 0.00 O ATOM 1468 CB LEU A 104 -9.240 0.217 2.376 1.00 0.00 C ATOM 1469 CG LEU A 104 -8.481 0.534 1.085 1.00 0.00 C ATOM 1470 CD1 LEU A 104 -7.461 -0.554 0.786 1.00 0.00 C ATOM 1471 CD2 LEU A 104 -9.450 0.696 -0.079 1.00 0.00 C ATOM 0 H LEU A 104 -11.666 0.441 2.841 1.00 0.00 H new ATOM 0 HA LEU A 104 -10.126 -1.418 1.298 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -9.797 1.104 2.679 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -8.515 0.011 3.164 1.00 0.00 H new ATOM 0 HG LEU A 104 -7.949 1.475 1.220 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -6.931 -0.312 -0.135 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -6.748 -0.621 1.608 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -7.972 -1.510 0.670 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -8.892 0.921 -0.988 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -10.011 -0.228 -0.217 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -10.141 1.512 0.134 1.00 0.00 H new ATOM 1483 N ILE A 105 -9.357 -3.156 2.869 1.00 0.00 N ATOM 1484 CA ILE A 105 -8.977 -4.242 3.764 1.00 0.00 C ATOM 1485 C ILE A 105 -7.618 -4.820 3.381 1.00 0.00 C ATOM 1486 O ILE A 105 -7.026 -4.425 2.377 1.00 0.00 O ATOM 1487 CB ILE A 105 -10.025 -5.372 3.756 1.00 0.00 C ATOM 1488 CG1 ILE A 105 -10.171 -5.957 2.349 1.00 0.00 C ATOM 1489 CG2 ILE A 105 -11.364 -4.856 4.262 1.00 0.00 C ATOM 1490 CD1 ILE A 105 -10.284 -7.465 2.331 1.00 0.00 C ATOM 0 H ILE A 105 -9.204 -3.352 1.880 1.00 0.00 H new ATOM 0 HA ILE A 105 -8.919 -3.819 4.767 1.00 0.00 H new ATOM 0 HB ILE A 105 -9.686 -6.164 4.423 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -11.055 -5.529 1.876 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -9.312 -5.658 1.749 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -12.094 -5.666 4.250 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -11.250 -4.485 5.281 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -11.709 -4.047 3.618 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -10.385 -7.810 1.302 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -9.389 -7.902 2.774 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -11.160 -7.771 2.904 1.00 0.00 H new ATOM 1502 N PHE A 106 -7.129 -5.755 4.189 1.00 0.00 N ATOM 1503 CA PHE A 106 -5.841 -6.385 3.938 1.00 0.00 C ATOM 1504 C PHE A 106 -5.989 -7.904 3.866 1.00 0.00 C ATOM 1505 O PHE A 106 -6.716 -8.505 4.657 1.00 0.00 O ATOM 1506 CB PHE A 106 -4.843 -5.993 5.034 1.00 0.00 C ATOM 1507 CG PHE A 106 -3.718 -6.972 5.215 1.00 0.00 C ATOM 1508 CD1 PHE A 106 -3.859 -8.048 6.072 1.00 0.00 C ATOM 1509 CD2 PHE A 106 -2.527 -6.816 4.527 1.00 0.00 C ATOM 1510 CE1 PHE A 106 -2.831 -8.955 6.243 1.00 0.00 C ATOM 1511 CE2 PHE A 106 -1.494 -7.718 4.692 1.00 0.00 C ATOM 1512 CZ PHE A 106 -1.646 -8.790 5.552 1.00 0.00 C ATOM 0 H PHE A 106 -7.607 -6.093 5.024 1.00 0.00 H new ATOM 0 HA PHE A 106 -5.463 -6.035 2.977 1.00 0.00 H new ATOM 0 HB2 PHE A 106 -4.425 -5.015 4.797 1.00 0.00 H new ATOM 0 HB3 PHE A 106 -5.378 -5.891 5.978 1.00 0.00 H new ATOM 0 HD1 PHE A 106 -4.784 -8.181 6.614 1.00 0.00 H new ATOM 0 HD2 PHE A 106 -2.404 -5.980 3.854 1.00 0.00 H new ATOM 0 HE1 PHE A 106 -2.953 -9.791 6.915 1.00 0.00 H new ATOM 0 HE2 PHE A 106 -0.569 -7.586 4.150 1.00 0.00 H new ATOM 0 HZ PHE A 106 -0.840 -9.497 5.683 1.00 0.00 H new ATOM 1522 N LEU A 107 -5.294 -8.517 2.913 1.00 0.00 N ATOM 1523 CA LEU A 107 -5.348 -9.963 2.738 1.00 0.00 C ATOM 1524 C LEU A 107 -4.692 -10.678 3.915 1.00 0.00 C ATOM 1525 O LEU A 107 -3.469 -10.686 4.046 1.00 0.00 O ATOM 1526 CB LEU A 107 -4.656 -10.363 1.434 1.00 0.00 C ATOM 1527 CG LEU A 107 -5.567 -10.416 0.207 1.00 0.00 C ATOM 1528 CD1 LEU A 107 -6.020 -9.017 -0.183 1.00 0.00 C ATOM 1529 CD2 LEU A 107 -4.856 -11.092 -0.955 1.00 0.00 C ATOM 0 H LEU A 107 -4.687 -8.034 2.250 1.00 0.00 H new ATOM 0 HA LEU A 107 -6.395 -10.261 2.693 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -3.849 -9.657 1.238 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -4.197 -11.343 1.570 1.00 0.00 H new ATOM 0 HG LEU A 107 -6.450 -11.004 0.458 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -6.667 -9.075 -1.058 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -6.568 -8.568 0.645 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -5.149 -8.404 -0.416 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -5.519 -11.121 -1.820 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -3.956 -10.531 -1.207 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -4.583 -12.109 -0.673 1.00 0.00 H new ATOM 1541 N ALA A 108 -5.516 -11.278 4.769 1.00 0.00 N ATOM 1542 CA ALA A 108 -5.017 -11.997 5.935 1.00 0.00 C ATOM 1543 C ALA A 108 -5.489 -13.446 5.930 1.00 0.00 C ATOM 1544 O ALA A 108 -6.400 -13.769 5.138 1.00 0.00 O ATOM 1545 CB ALA A 108 -5.460 -11.300 7.213 1.00 0.00 C ATOM 1546 OXT ALA A 108 -4.944 -14.248 6.718 1.00 0.00 O ATOM 0 H ALA A 108 -6.532 -11.280 4.675 1.00 0.00 H new ATOM 0 HA ALA A 108 -3.928 -11.997 5.892 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -5.081 -11.847 8.076 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -5.068 -10.283 7.227 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -6.549 -11.270 7.252 1.00 0.00 H new TER 1552 ALA A 108