USER MOD reduce.3.24.130724 H: found=0, std=0, add=822, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 818 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 71 GLN :FLIP amide:sc= -4.78! C(o=-20!,f=-13!) USER MOD Set 1.2: A 93 GLN :FLIP amide:sc= -7.22! C(o=-16!,f=-13!) USER MOD Set 1.3: A 97 THR OG1 : rot 98:sc= -0.666! USER MOD Set 2.1: A 41 GLN :FLIP amide:sc= -4! C(o=-5.7!,f=-4!) USER MOD Set 2.2: A 58 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 22 ASN :FLIP amide:sc= -1.14 F(o=-5.9,f=-3.2) USER MOD Set 3.2: A 25 GLN : amide:sc= -2.09 K(o=-3.2,f=-5.9!) USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 ASN :FLIP amide:sc= -2.31 F(o=-2.9!,f=-2.3) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0.0455 USER MOD Single : A 11 ASN :FLIP amide:sc= -0.353 F(o=-2.9!,f=-0.35) USER MOD Single : A 13 ASN : amide:sc= -0.302 K(o=-0.3,f=-6!) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 THR OG1 : rot 79:sc= 0.665 USER MOD Single : A 32 LYS NZ :NH3+ -115:sc= 0.168 (180deg=0) USER MOD Single : A 33 MET CE :methyl 154:sc= -3.94! (180deg=-5.38!) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= -3 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 163:sc= -0.157 (180deg=-0.867) USER MOD Single : A 52 SER OG : rot 63:sc= 1.21 USER MOD Single : A 55 SER OG : rot -95:sc= -0.48 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 77 LYS NZ :NH3+ 145:sc= -0.282 (180deg=-1.38!) USER MOD Single : A 80 ASN :FLIP amide:sc= -5.38! C(o=-8!,f=-5.4!) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 GLN :FLIP amide:sc= -0.112 F(o=-1.1,f=-0.11) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0.0793 USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 ASN : amide:sc= 0.308 K(o=0.31,f=-0.2) USER MOD Single : A 103 GLN :FLIP amide:sc= -0.944 F(o=-4.7!,f=-0.94) USER MOD Single : A 104 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0106) USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -15.076 13.232 5.953 1.00 0.00 N ATOM 2 CA ALA A 1 -13.967 12.329 6.372 1.00 0.00 C ATOM 3 C ALA A 1 -12.700 12.672 5.578 1.00 0.00 C ATOM 4 O ALA A 1 -12.625 12.458 4.384 1.00 0.00 O ATOM 5 CB ALA A 1 -14.370 10.875 6.111 1.00 0.00 C ATOM 0 H1 ALA A 1 -15.935 13.000 6.491 1.00 0.00 H new ATOM 0 H2 ALA A 1 -14.808 14.220 6.138 1.00 0.00 H new ATOM 0 H3 ALA A 1 -15.260 13.108 4.937 1.00 0.00 H new ATOM 0 HA ALA A 1 -13.768 12.461 7.436 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -13.560 10.213 6.417 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -15.268 10.638 6.682 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -14.569 10.738 5.048 1.00 0.00 H new ATOM 10 N ASP A 2 -11.708 13.208 6.236 1.00 0.00 N ATOM 11 CA ASP A 2 -10.444 13.576 5.531 1.00 0.00 C ATOM 12 C ASP A 2 -9.555 12.339 5.384 1.00 0.00 C ATOM 13 O ASP A 2 -10.024 11.222 5.351 1.00 0.00 O ATOM 14 CB ASP A 2 -9.710 14.651 6.354 1.00 0.00 C ATOM 15 CG ASP A 2 -8.828 15.517 5.444 1.00 0.00 C ATOM 16 OD1 ASP A 2 -9.236 15.780 4.324 1.00 0.00 O ATOM 17 OD2 ASP A 2 -7.760 15.908 5.886 1.00 0.00 O ATOM 0 H ASP A 2 -11.718 13.408 7.236 1.00 0.00 H new ATOM 0 HA ASP A 2 -10.674 13.965 4.539 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -10.435 15.279 6.872 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -9.096 14.175 7.119 1.00 0.00 H new ATOM 22 N LEU A 3 -8.271 12.537 5.302 1.00 0.00 N ATOM 23 CA LEU A 3 -7.345 11.381 5.180 1.00 0.00 C ATOM 24 C LEU A 3 -7.510 10.484 6.407 1.00 0.00 C ATOM 25 O LEU A 3 -6.861 10.661 7.419 1.00 0.00 O ATOM 26 CB LEU A 3 -5.905 11.891 5.099 1.00 0.00 C ATOM 27 CG LEU A 3 -5.520 12.238 3.650 1.00 0.00 C ATOM 28 CD1 LEU A 3 -5.365 10.960 2.806 1.00 0.00 C ATOM 29 CD2 LEU A 3 -6.596 13.141 3.035 1.00 0.00 C ATOM 0 H LEU A 3 -7.822 13.453 5.314 1.00 0.00 H new ATOM 0 HA LEU A 3 -7.573 10.812 4.278 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -5.792 12.773 5.729 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -5.225 11.133 5.487 1.00 0.00 H new ATOM 0 HG LEU A 3 -4.564 12.762 3.659 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -5.093 11.229 1.785 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -4.585 10.332 3.236 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -6.308 10.413 2.798 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -6.322 13.386 2.009 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -7.554 12.621 3.041 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -6.678 14.059 3.618 1.00 0.00 H new ATOM 41 N GLU A 4 -8.369 9.524 6.309 1.00 0.00 N ATOM 42 CA GLU A 4 -8.606 8.589 7.432 1.00 0.00 C ATOM 43 C GLU A 4 -9.555 7.526 6.917 1.00 0.00 C ATOM 44 O GLU A 4 -9.456 6.363 7.244 1.00 0.00 O ATOM 45 CB GLU A 4 -9.243 9.328 8.618 1.00 0.00 C ATOM 46 CG GLU A 4 -10.670 9.766 8.265 1.00 0.00 C ATOM 47 CD GLU A 4 -11.146 10.818 9.266 1.00 0.00 C ATOM 48 OE1 GLU A 4 -10.717 11.953 9.149 1.00 0.00 O ATOM 49 OE2 GLU A 4 -11.929 10.471 10.136 1.00 0.00 O ATOM 0 H GLU A 4 -8.932 9.342 5.478 1.00 0.00 H new ATOM 0 HA GLU A 4 -7.670 8.152 7.779 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -9.260 8.679 9.493 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -8.642 10.199 8.879 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -10.697 10.173 7.254 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -11.339 8.906 8.280 1.00 0.00 H new ATOM 56 N ASP A 5 -10.470 7.926 6.078 1.00 0.00 N ATOM 57 CA ASP A 5 -11.410 6.946 5.502 1.00 0.00 C ATOM 58 C ASP A 5 -10.680 6.178 4.410 1.00 0.00 C ATOM 59 O ASP A 5 -10.975 5.027 4.160 1.00 0.00 O ATOM 60 CB ASP A 5 -12.631 7.669 4.918 1.00 0.00 C ATOM 61 CG ASP A 5 -13.614 6.649 4.336 1.00 0.00 C ATOM 62 OD1 ASP A 5 -14.420 6.132 5.091 1.00 0.00 O ATOM 63 OD2 ASP A 5 -13.549 6.409 3.141 1.00 0.00 O ATOM 0 H ASP A 5 -10.601 8.890 5.771 1.00 0.00 H new ATOM 0 HA ASP A 5 -11.760 6.259 6.273 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -13.121 8.257 5.694 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -12.315 8.366 4.142 1.00 0.00 H new ATOM 68 N ASN A 6 -9.701 6.780 3.768 1.00 0.00 N ATOM 69 CA ASN A 6 -8.972 6.001 2.731 1.00 0.00 C ATOM 70 C ASN A 6 -8.396 4.794 3.452 1.00 0.00 C ATOM 71 O ASN A 6 -8.421 3.677 2.976 1.00 0.00 O ATOM 72 CB ASN A 6 -7.855 6.851 2.088 1.00 0.00 C ATOM 73 CG ASN A 6 -6.553 6.773 2.888 1.00 0.00 C ATOM 74 OD1 ASN A 6 -5.853 5.672 2.860 1.00 0.00 O flip ATOM 75 ND2 ASN A 6 -6.171 7.725 3.538 1.00 0.00 N flip ATOM 0 H ASN A 6 -9.390 7.740 3.914 1.00 0.00 H new ATOM 0 HA ASN A 6 -9.632 5.700 1.918 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -7.677 6.507 1.069 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -8.180 7.889 2.022 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -6.721 8.584 3.557 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -5.300 7.666 4.065 1.00 0.00 H new ATOM 82 N TRP A 7 -7.892 5.048 4.627 1.00 0.00 N ATOM 83 CA TRP A 7 -7.316 3.973 5.459 1.00 0.00 C ATOM 84 C TRP A 7 -8.405 2.922 5.748 1.00 0.00 C ATOM 85 O TRP A 7 -8.145 1.735 5.809 1.00 0.00 O ATOM 86 CB TRP A 7 -6.813 4.595 6.788 1.00 0.00 C ATOM 87 CG TRP A 7 -5.334 4.854 6.729 1.00 0.00 C ATOM 88 CD1 TRP A 7 -4.747 5.675 5.836 1.00 0.00 C ATOM 89 CD2 TRP A 7 -4.257 4.329 7.569 1.00 0.00 C ATOM 90 NE1 TRP A 7 -3.382 5.679 6.050 1.00 0.00 N ATOM 91 CE2 TRP A 7 -3.030 4.868 7.107 1.00 0.00 C ATOM 92 CE3 TRP A 7 -4.219 3.447 8.666 1.00 0.00 C ATOM 93 CZ2 TRP A 7 -1.813 4.546 7.709 1.00 0.00 C ATOM 94 CZ3 TRP A 7 -2.992 3.120 9.275 1.00 0.00 C ATOM 95 CH2 TRP A 7 -1.793 3.669 8.796 1.00 0.00 C ATOM 0 H TRP A 7 -7.858 5.976 5.048 1.00 0.00 H new ATOM 0 HA TRP A 7 -6.485 3.492 4.942 1.00 0.00 H new ATOM 0 HB2 TRP A 7 -7.343 5.528 6.982 1.00 0.00 H new ATOM 0 HB3 TRP A 7 -7.036 3.923 7.617 1.00 0.00 H new ATOM 0 HD1 TRP A 7 -5.262 6.240 5.074 1.00 0.00 H new ATOM 0 HE1 TRP A 7 -2.717 6.216 5.494 1.00 0.00 H new ATOM 0 HE3 TRP A 7 -5.136 3.019 9.043 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 -0.893 4.972 7.337 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 -2.974 2.442 10.116 1.00 0.00 H new ATOM 0 HH2 TRP A 7 -0.855 3.414 9.267 1.00 0.00 H new ATOM 106 N GLU A 8 -9.620 3.364 5.948 1.00 0.00 N ATOM 107 CA GLU A 8 -10.728 2.414 6.259 1.00 0.00 C ATOM 108 C GLU A 8 -10.840 1.375 5.146 1.00 0.00 C ATOM 109 O GLU A 8 -10.951 0.193 5.402 1.00 0.00 O ATOM 110 CB GLU A 8 -12.041 3.182 6.378 1.00 0.00 C ATOM 111 CG GLU A 8 -13.121 2.267 6.958 1.00 0.00 C ATOM 112 CD GLU A 8 -14.369 3.090 7.290 1.00 0.00 C ATOM 113 OE1 GLU A 8 -14.214 4.153 7.867 1.00 0.00 O ATOM 114 OE2 GLU A 8 -15.456 2.642 6.964 1.00 0.00 O ATOM 0 H GLU A 8 -9.893 4.346 5.909 1.00 0.00 H new ATOM 0 HA GLU A 8 -10.518 1.910 7.202 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -11.907 4.054 7.018 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -12.349 3.549 5.399 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -13.370 1.483 6.243 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -12.749 1.773 7.856 1.00 0.00 H new ATOM 121 N THR A 9 -10.784 1.790 3.914 1.00 0.00 N ATOM 122 CA THR A 9 -10.863 0.797 2.809 1.00 0.00 C ATOM 123 C THR A 9 -9.771 -0.247 3.042 1.00 0.00 C ATOM 124 O THR A 9 -10.010 -1.441 3.083 1.00 0.00 O ATOM 125 CB THR A 9 -10.617 1.507 1.461 1.00 0.00 C ATOM 126 OG1 THR A 9 -11.222 2.793 1.489 1.00 0.00 O ATOM 127 CG2 THR A 9 -11.228 0.689 0.322 1.00 0.00 C ATOM 0 H THR A 9 -10.688 2.764 3.625 1.00 0.00 H new ATOM 0 HA THR A 9 -11.846 0.326 2.786 1.00 0.00 H new ATOM 0 HB THR A 9 -9.544 1.605 1.299 1.00 0.00 H new ATOM 0 HG1 THR A 9 -11.066 3.247 0.635 1.00 0.00 H new ATOM 0 HG21 THR A 9 -11.050 1.196 -0.626 1.00 0.00 H new ATOM 0 HG22 THR A 9 -10.769 -0.299 0.297 1.00 0.00 H new ATOM 0 HG23 THR A 9 -12.301 0.586 0.483 1.00 0.00 H new ATOM 135 N LEU A 10 -8.575 0.224 3.209 1.00 0.00 N ATOM 136 CA LEU A 10 -7.426 -0.674 3.453 1.00 0.00 C ATOM 137 C LEU A 10 -7.602 -1.380 4.796 1.00 0.00 C ATOM 138 O LEU A 10 -7.088 -2.446 5.013 1.00 0.00 O ATOM 139 CB LEU A 10 -6.149 0.183 3.479 1.00 0.00 C ATOM 140 CG LEU A 10 -5.574 0.400 2.052 1.00 0.00 C ATOM 141 CD1 LEU A 10 -6.108 1.708 1.447 1.00 0.00 C ATOM 142 CD2 LEU A 10 -4.045 0.480 2.128 1.00 0.00 C ATOM 0 H LEU A 10 -8.341 1.217 3.186 1.00 0.00 H new ATOM 0 HA LEU A 10 -7.359 -1.428 2.668 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -6.368 1.149 3.934 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -5.399 -0.301 4.104 1.00 0.00 H new ATOM 0 HG LEU A 10 -5.880 -0.436 1.423 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -5.694 1.842 0.448 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -7.195 1.664 1.386 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -5.814 2.547 2.077 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -3.638 0.632 1.128 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -3.756 1.313 2.768 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -3.652 -0.449 2.542 1.00 0.00 H new ATOM 154 N ASN A 11 -8.301 -0.795 5.709 1.00 0.00 N ATOM 155 CA ASN A 11 -8.460 -1.460 7.026 1.00 0.00 C ATOM 156 C ASN A 11 -9.157 -2.805 6.854 1.00 0.00 C ATOM 157 O ASN A 11 -8.598 -3.853 7.097 1.00 0.00 O ATOM 158 CB ASN A 11 -9.318 -0.595 7.933 1.00 0.00 C ATOM 159 CG ASN A 11 -9.217 -1.142 9.359 1.00 0.00 C ATOM 160 OD1 ASN A 11 -8.548 -2.250 9.566 1.00 0.00 O flip ATOM 161 ND2 ASN A 11 -9.734 -0.560 10.290 1.00 0.00 N flip ATOM 0 H ASN A 11 -8.768 0.106 5.609 1.00 0.00 H new ATOM 0 HA ASN A 11 -7.472 -1.606 7.462 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -8.981 0.441 7.899 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -10.355 -0.604 7.596 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -10.254 0.302 10.127 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -9.648 -0.933 11.236 1.00 0.00 H new ATOM 168 N ASP A 12 -10.390 -2.765 6.453 1.00 0.00 N ATOM 169 CA ASP A 12 -11.164 -4.021 6.280 1.00 0.00 C ATOM 170 C ASP A 12 -10.412 -4.974 5.364 1.00 0.00 C ATOM 171 O ASP A 12 -10.676 -6.159 5.340 1.00 0.00 O ATOM 172 CB ASP A 12 -12.499 -3.702 5.626 1.00 0.00 C ATOM 173 CG ASP A 12 -13.422 -3.002 6.624 1.00 0.00 C ATOM 174 OD1 ASP A 12 -13.046 -1.951 7.115 1.00 0.00 O ATOM 175 OD2 ASP A 12 -14.491 -3.530 6.878 1.00 0.00 O ATOM 0 H ASP A 12 -10.901 -1.910 6.235 1.00 0.00 H new ATOM 0 HA ASP A 12 -11.311 -4.479 7.258 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -12.343 -3.065 4.755 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -12.966 -4.620 5.270 1.00 0.00 H new ATOM 180 N ASN A 13 -9.499 -4.480 4.583 1.00 0.00 N ATOM 181 CA ASN A 13 -8.791 -5.409 3.664 1.00 0.00 C ATOM 182 C ASN A 13 -7.970 -6.406 4.496 1.00 0.00 C ATOM 183 O ASN A 13 -8.160 -7.601 4.408 1.00 0.00 O ATOM 184 CB ASN A 13 -7.873 -4.624 2.708 1.00 0.00 C ATOM 185 CG ASN A 13 -8.645 -4.221 1.444 1.00 0.00 C ATOM 186 OD1 ASN A 13 -8.577 -4.897 0.437 1.00 0.00 O ATOM 187 ND2 ASN A 13 -9.382 -3.145 1.458 1.00 0.00 N ATOM 0 H ASN A 13 -9.216 -3.501 4.539 1.00 0.00 H new ATOM 0 HA ASN A 13 -9.521 -5.951 3.062 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -7.490 -3.734 3.208 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -7.011 -5.234 2.438 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -9.901 -2.871 0.624 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -9.439 -2.577 2.303 1.00 0.00 H new ATOM 194 N LEU A 14 -7.074 -5.927 5.311 1.00 0.00 N ATOM 195 CA LEU A 14 -6.263 -6.854 6.152 1.00 0.00 C ATOM 196 C LEU A 14 -7.207 -7.675 7.017 1.00 0.00 C ATOM 197 O LEU A 14 -6.946 -8.810 7.354 1.00 0.00 O ATOM 198 CB LEU A 14 -5.351 -6.052 7.084 1.00 0.00 C ATOM 199 CG LEU A 14 -4.184 -5.399 6.319 1.00 0.00 C ATOM 200 CD1 LEU A 14 -3.244 -6.457 5.742 1.00 0.00 C ATOM 201 CD2 LEU A 14 -4.707 -4.512 5.188 1.00 0.00 C ATOM 0 H LEU A 14 -6.867 -4.936 5.432 1.00 0.00 H new ATOM 0 HA LEU A 14 -5.663 -7.493 5.504 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -5.933 -5.280 7.587 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -4.956 -6.708 7.859 1.00 0.00 H new ATOM 0 HG LEU A 14 -3.630 -4.785 7.029 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -2.430 -5.968 5.207 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -2.835 -7.061 6.552 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -3.796 -7.098 5.054 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -3.866 -4.061 4.661 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -5.290 -5.116 4.492 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -5.338 -3.727 5.604 1.00 0.00 H new ATOM 213 N LYS A 15 -8.296 -7.085 7.393 1.00 0.00 N ATOM 214 CA LYS A 15 -9.273 -7.786 8.258 1.00 0.00 C ATOM 215 C LYS A 15 -9.759 -9.059 7.567 1.00 0.00 C ATOM 216 O LYS A 15 -9.819 -10.112 8.168 1.00 0.00 O ATOM 217 CB LYS A 15 -10.456 -6.843 8.486 1.00 0.00 C ATOM 218 CG LYS A 15 -11.377 -7.378 9.582 1.00 0.00 C ATOM 219 CD LYS A 15 -12.744 -6.672 9.493 1.00 0.00 C ATOM 220 CE LYS A 15 -13.598 -7.282 8.368 1.00 0.00 C ATOM 221 NZ LYS A 15 -15.039 -6.998 8.629 1.00 0.00 N ATOM 0 H LYS A 15 -8.556 -6.133 7.135 1.00 0.00 H new ATOM 0 HA LYS A 15 -8.811 -8.060 9.207 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -10.090 -5.855 8.764 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -11.017 -6.726 7.559 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -11.504 -8.455 9.472 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -10.931 -7.208 10.562 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -13.268 -6.762 10.444 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -12.598 -5.608 9.309 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -13.302 -6.865 7.405 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -13.432 -8.358 8.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -15.617 -7.410 7.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -15.316 -7.416 9.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -15.190 -5.969 8.660 1.00 0.00 H new ATOM 235 N VAL A 16 -10.123 -8.982 6.321 1.00 0.00 N ATOM 236 CA VAL A 16 -10.620 -10.186 5.631 1.00 0.00 C ATOM 237 C VAL A 16 -9.496 -11.213 5.434 1.00 0.00 C ATOM 238 O VAL A 16 -9.639 -12.333 5.855 1.00 0.00 O ATOM 239 CB VAL A 16 -11.269 -9.758 4.306 1.00 0.00 C ATOM 240 CG1 VAL A 16 -11.422 -10.953 3.371 1.00 0.00 C ATOM 241 CG2 VAL A 16 -12.658 -9.176 4.590 1.00 0.00 C ATOM 0 H VAL A 16 -10.096 -8.134 5.755 1.00 0.00 H new ATOM 0 HA VAL A 16 -11.374 -10.683 6.241 1.00 0.00 H new ATOM 0 HB VAL A 16 -10.631 -9.013 3.831 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -11.884 -10.629 2.438 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -10.441 -11.379 3.161 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -12.051 -11.707 3.844 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -13.123 -8.871 3.653 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -13.277 -9.932 5.073 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -12.563 -8.311 5.247 1.00 0.00 H new ATOM 251 N ILE A 17 -8.389 -10.887 4.803 1.00 0.00 N ATOM 252 CA ILE A 17 -7.331 -11.947 4.637 1.00 0.00 C ATOM 253 C ILE A 17 -7.079 -12.573 6.008 1.00 0.00 C ATOM 254 O ILE A 17 -7.043 -13.777 6.165 1.00 0.00 O ATOM 255 CB ILE A 17 -6.004 -11.361 4.085 1.00 0.00 C ATOM 256 CG1 ILE A 17 -6.231 -9.935 3.572 1.00 0.00 C ATOM 257 CG2 ILE A 17 -5.492 -12.226 2.930 1.00 0.00 C ATOM 258 CD1 ILE A 17 -4.922 -9.358 3.003 1.00 0.00 C ATOM 0 H ILE A 17 -8.174 -9.971 4.409 1.00 0.00 H new ATOM 0 HA ILE A 17 -7.681 -12.688 3.918 1.00 0.00 H new ATOM 0 HB ILE A 17 -5.270 -11.348 4.890 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -7.001 -9.937 2.801 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -6.593 -9.303 4.383 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -4.560 -11.808 2.548 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -5.316 -13.241 3.286 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -6.235 -12.245 2.133 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -5.098 -8.345 2.642 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -4.163 -9.338 3.785 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -4.577 -9.982 2.178 1.00 0.00 H new ATOM 270 N GLU A 18 -6.938 -11.743 7.001 1.00 0.00 N ATOM 271 CA GLU A 18 -6.727 -12.254 8.373 1.00 0.00 C ATOM 272 C GLU A 18 -7.889 -13.187 8.708 1.00 0.00 C ATOM 273 O GLU A 18 -7.764 -14.089 9.512 1.00 0.00 O ATOM 274 CB GLU A 18 -6.729 -11.074 9.360 1.00 0.00 C ATOM 275 CG GLU A 18 -5.500 -10.163 9.134 1.00 0.00 C ATOM 276 CD GLU A 18 -4.324 -10.627 10.002 1.00 0.00 C ATOM 277 OE1 GLU A 18 -4.010 -11.806 9.961 1.00 0.00 O ATOM 278 OE2 GLU A 18 -3.755 -9.794 10.689 1.00 0.00 O ATOM 0 H GLU A 18 -6.961 -10.727 6.916 1.00 0.00 H new ATOM 0 HA GLU A 18 -5.776 -12.781 8.443 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -7.644 -10.494 9.238 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -6.724 -11.450 10.383 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -5.214 -10.182 8.082 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -5.755 -9.131 9.377 1.00 0.00 H new ATOM 285 N LYS A 19 -9.037 -12.952 8.105 1.00 0.00 N ATOM 286 CA LYS A 19 -10.246 -13.791 8.384 1.00 0.00 C ATOM 287 C LYS A 19 -10.848 -14.316 7.063 1.00 0.00 C ATOM 288 O LYS A 19 -12.049 -14.440 6.924 1.00 0.00 O ATOM 289 CB LYS A 19 -11.267 -12.902 9.118 1.00 0.00 C ATOM 290 CG LYS A 19 -10.693 -12.471 10.495 1.00 0.00 C ATOM 291 CD LYS A 19 -11.172 -11.059 10.887 1.00 0.00 C ATOM 292 CE LYS A 19 -12.663 -10.866 10.559 1.00 0.00 C ATOM 293 NZ LYS A 19 -13.271 -9.967 11.580 1.00 0.00 N ATOM 0 H LYS A 19 -9.185 -12.206 7.425 1.00 0.00 H new ATOM 0 HA LYS A 19 -9.980 -14.653 8.995 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -11.495 -12.022 8.517 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -12.202 -13.444 9.257 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -11.000 -13.186 11.259 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -9.604 -12.490 10.459 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -11.008 -10.899 11.953 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -10.581 -10.312 10.358 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -12.777 -10.437 9.564 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -13.175 -11.828 10.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -14.280 -9.831 11.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -13.172 -10.395 12.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -12.787 -9.047 11.565 1.00 0.00 H new ATOM 307 N ALA A 20 -10.018 -14.616 6.089 1.00 0.00 N ATOM 308 CA ALA A 20 -10.535 -15.121 4.775 1.00 0.00 C ATOM 309 C ALA A 20 -11.232 -16.472 4.960 1.00 0.00 C ATOM 310 O ALA A 20 -11.989 -16.898 4.114 1.00 0.00 O ATOM 311 CB ALA A 20 -9.371 -15.274 3.778 1.00 0.00 C ATOM 0 H ALA A 20 -9.003 -14.532 6.148 1.00 0.00 H new ATOM 0 HA ALA A 20 -11.255 -14.402 4.385 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -9.754 -15.641 2.826 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -8.891 -14.307 3.628 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -8.643 -15.982 4.174 1.00 0.00 H new ATOM 317 N ASP A 21 -10.966 -17.150 6.044 1.00 0.00 N ATOM 318 CA ASP A 21 -11.598 -18.482 6.288 1.00 0.00 C ATOM 319 C ASP A 21 -11.079 -19.499 5.267 1.00 0.00 C ATOM 320 O ASP A 21 -10.887 -20.660 5.571 1.00 0.00 O ATOM 321 CB ASP A 21 -13.120 -18.363 6.159 1.00 0.00 C ATOM 322 CG ASP A 21 -13.587 -17.066 6.824 1.00 0.00 C ATOM 323 OD1 ASP A 21 -12.954 -16.658 7.781 1.00 0.00 O ATOM 324 OD2 ASP A 21 -14.568 -16.507 6.365 1.00 0.00 O ATOM 0 H ASP A 21 -10.332 -16.836 6.779 1.00 0.00 H new ATOM 0 HA ASP A 21 -11.343 -18.817 7.293 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -13.409 -18.370 5.108 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -13.604 -19.220 6.628 1.00 0.00 H new ATOM 329 N ASN A 22 -10.851 -19.072 4.057 1.00 0.00 N ATOM 330 CA ASN A 22 -10.342 -20.012 3.010 1.00 0.00 C ATOM 331 C ASN A 22 -9.480 -19.245 2.006 1.00 0.00 C ATOM 332 O ASN A 22 -9.691 -18.074 1.760 1.00 0.00 O ATOM 333 CB ASN A 22 -11.521 -20.661 2.276 1.00 0.00 C ATOM 334 CG ASN A 22 -12.530 -21.200 3.289 1.00 0.00 C ATOM 335 OD1 ASN A 22 -13.537 -20.452 3.642 1.00 0.00 O flip ATOM 336 ND2 ASN A 22 -12.402 -22.313 3.762 1.00 0.00 N flip ATOM 0 H ASN A 22 -10.994 -18.112 3.744 1.00 0.00 H new ATOM 0 HA ASN A 22 -9.743 -20.787 3.488 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -12.001 -19.931 1.624 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -11.164 -21.470 1.639 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -11.613 -22.897 3.485 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -13.083 -22.662 4.436 1.00 0.00 H new ATOM 343 N ALA A 23 -8.503 -19.896 1.433 1.00 0.00 N ATOM 344 CA ALA A 23 -7.618 -19.209 0.448 1.00 0.00 C ATOM 345 C ALA A 23 -8.463 -18.556 -0.649 1.00 0.00 C ATOM 346 O ALA A 23 -8.001 -17.697 -1.371 1.00 0.00 O ATOM 347 CB ALA A 23 -6.668 -20.226 -0.188 1.00 0.00 C ATOM 0 H ALA A 23 -8.279 -20.876 1.605 1.00 0.00 H new ATOM 0 HA ALA A 23 -7.042 -18.442 0.966 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -6.023 -19.721 -0.907 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -6.056 -20.687 0.587 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -7.247 -20.996 -0.698 1.00 0.00 H new ATOM 353 N ALA A 24 -9.692 -18.959 -0.794 1.00 0.00 N ATOM 354 CA ALA A 24 -10.541 -18.351 -1.854 1.00 0.00 C ATOM 355 C ALA A 24 -10.814 -16.877 -1.525 1.00 0.00 C ATOM 356 O ALA A 24 -10.602 -16.005 -2.348 1.00 0.00 O ATOM 357 CB ALA A 24 -11.864 -19.110 -1.946 1.00 0.00 C ATOM 0 H ALA A 24 -10.144 -19.678 -0.229 1.00 0.00 H new ATOM 0 HA ALA A 24 -10.019 -18.412 -2.809 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -12.486 -18.664 -2.723 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -11.668 -20.154 -2.192 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -12.383 -19.054 -0.989 1.00 0.00 H new ATOM 363 N GLN A 25 -11.296 -16.585 -0.340 1.00 0.00 N ATOM 364 CA GLN A 25 -11.588 -15.162 0.001 1.00 0.00 C ATOM 365 C GLN A 25 -10.288 -14.355 0.045 1.00 0.00 C ATOM 366 O GLN A 25 -10.302 -13.142 -0.033 1.00 0.00 O ATOM 367 CB GLN A 25 -12.282 -15.084 1.369 1.00 0.00 C ATOM 368 CG GLN A 25 -13.755 -15.583 1.273 1.00 0.00 C ATOM 369 CD GLN A 25 -13.983 -16.774 2.217 1.00 0.00 C ATOM 370 OE1 GLN A 25 -14.247 -16.593 3.391 1.00 0.00 O ATOM 371 NE2 GLN A 25 -13.886 -17.991 1.752 1.00 0.00 N ATOM 0 H GLN A 25 -11.497 -17.263 0.395 1.00 0.00 H new ATOM 0 HA GLN A 25 -12.244 -14.746 -0.764 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -11.736 -15.688 2.094 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -12.265 -14.056 1.732 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -14.437 -14.772 1.530 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -13.980 -15.876 0.247 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -13.665 -18.145 0.768 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -14.031 -18.787 2.373 1.00 0.00 H new ATOM 380 N VAL A 26 -9.166 -15.006 0.157 1.00 0.00 N ATOM 381 CA VAL A 26 -7.887 -14.260 0.193 1.00 0.00 C ATOM 382 C VAL A 26 -7.674 -13.621 -1.184 1.00 0.00 C ATOM 383 O VAL A 26 -7.369 -12.450 -1.296 1.00 0.00 O ATOM 384 CB VAL A 26 -6.749 -15.242 0.516 1.00 0.00 C ATOM 385 CG1 VAL A 26 -5.403 -14.621 0.149 1.00 0.00 C ATOM 386 CG2 VAL A 26 -6.763 -15.614 2.010 1.00 0.00 C ATOM 0 H VAL A 26 -9.082 -16.020 0.225 1.00 0.00 H new ATOM 0 HA VAL A 26 -7.904 -13.482 0.957 1.00 0.00 H new ATOM 0 HB VAL A 26 -6.898 -16.149 -0.070 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -4.603 -15.324 0.381 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -5.387 -14.392 -0.916 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -5.258 -13.704 0.720 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -5.950 -16.310 2.219 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -6.633 -14.714 2.610 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -7.715 -16.082 2.259 1.00 0.00 H new ATOM 396 N LYS A 27 -7.848 -14.380 -2.230 1.00 0.00 N ATOM 397 CA LYS A 27 -7.675 -13.820 -3.599 1.00 0.00 C ATOM 398 C LYS A 27 -8.572 -12.604 -3.768 1.00 0.00 C ATOM 399 O LYS A 27 -8.171 -11.578 -4.280 1.00 0.00 O ATOM 400 CB LYS A 27 -8.094 -14.859 -4.633 1.00 0.00 C ATOM 401 CG LYS A 27 -7.276 -16.136 -4.438 1.00 0.00 C ATOM 402 CD LYS A 27 -7.663 -17.191 -5.492 1.00 0.00 C ATOM 403 CE LYS A 27 -7.562 -16.612 -6.912 1.00 0.00 C ATOM 404 NZ LYS A 27 -7.328 -17.716 -7.884 1.00 0.00 N ATOM 0 H LYS A 27 -8.103 -15.367 -2.195 1.00 0.00 H new ATOM 0 HA LYS A 27 -6.629 -13.545 -3.737 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -9.157 -15.077 -4.534 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -7.942 -14.468 -5.639 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -6.213 -15.909 -4.515 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -7.445 -16.534 -3.437 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -7.009 -18.058 -5.401 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -8.680 -17.538 -5.308 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -8.479 -16.079 -7.165 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -6.748 -15.889 -6.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -7.260 -17.324 -8.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -6.442 -18.206 -7.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -8.119 -18.390 -7.841 1.00 0.00 H new ATOM 418 N ASP A 28 -9.796 -12.726 -3.348 1.00 0.00 N ATOM 419 CA ASP A 28 -10.755 -11.601 -3.484 1.00 0.00 C ATOM 420 C ASP A 28 -10.223 -10.403 -2.708 1.00 0.00 C ATOM 421 O ASP A 28 -9.911 -9.383 -3.273 1.00 0.00 O ATOM 422 CB ASP A 28 -12.123 -12.048 -2.922 1.00 0.00 C ATOM 423 CG ASP A 28 -13.268 -11.524 -3.803 1.00 0.00 C ATOM 424 OD1 ASP A 28 -13.342 -11.934 -4.950 1.00 0.00 O ATOM 425 OD2 ASP A 28 -14.048 -10.724 -3.313 1.00 0.00 O ATOM 0 H ASP A 28 -10.177 -13.566 -2.912 1.00 0.00 H new ATOM 0 HA ASP A 28 -10.874 -11.318 -4.530 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -12.164 -13.136 -2.873 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -12.242 -11.678 -1.904 1.00 0.00 H new ATOM 430 N ALA A 29 -10.122 -10.533 -1.420 1.00 0.00 N ATOM 431 CA ALA A 29 -9.627 -9.406 -0.572 1.00 0.00 C ATOM 432 C ALA A 29 -8.464 -8.674 -1.248 1.00 0.00 C ATOM 433 O ALA A 29 -8.484 -7.470 -1.401 1.00 0.00 O ATOM 434 CB ALA A 29 -9.158 -9.974 0.767 1.00 0.00 C ATOM 0 H ALA A 29 -10.363 -11.381 -0.906 1.00 0.00 H new ATOM 0 HA ALA A 29 -10.437 -8.692 -0.426 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -8.793 -9.164 1.398 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -9.991 -10.473 1.262 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -8.355 -10.691 0.597 1.00 0.00 H new ATOM 440 N LEU A 30 -7.444 -9.380 -1.634 1.00 0.00 N ATOM 441 CA LEU A 30 -6.289 -8.702 -2.276 1.00 0.00 C ATOM 442 C LEU A 30 -6.749 -7.989 -3.549 1.00 0.00 C ATOM 443 O LEU A 30 -6.290 -6.911 -3.868 1.00 0.00 O ATOM 444 CB LEU A 30 -5.220 -9.751 -2.592 1.00 0.00 C ATOM 445 CG LEU A 30 -4.475 -10.122 -1.286 1.00 0.00 C ATOM 446 CD1 LEU A 30 -3.857 -11.517 -1.404 1.00 0.00 C ATOM 447 CD2 LEU A 30 -3.354 -9.099 -1.000 1.00 0.00 C ATOM 0 H LEU A 30 -7.359 -10.392 -1.534 1.00 0.00 H new ATOM 0 HA LEU A 30 -5.868 -7.954 -1.605 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -5.680 -10.638 -3.028 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -4.517 -9.362 -3.329 1.00 0.00 H new ATOM 0 HG LEU A 30 -5.196 -10.111 -0.469 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -3.337 -11.764 -0.479 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -4.644 -12.249 -1.584 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -3.150 -11.533 -2.233 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -2.839 -9.372 -0.079 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -2.644 -9.097 -1.827 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -3.788 -8.105 -0.892 1.00 0.00 H new ATOM 459 N THR A 31 -7.663 -8.562 -4.272 1.00 0.00 N ATOM 460 CA THR A 31 -8.150 -7.886 -5.494 1.00 0.00 C ATOM 461 C THR A 31 -8.841 -6.575 -5.071 1.00 0.00 C ATOM 462 O THR A 31 -8.832 -5.585 -5.787 1.00 0.00 O ATOM 463 CB THR A 31 -9.120 -8.818 -6.225 1.00 0.00 C ATOM 464 OG1 THR A 31 -8.411 -9.958 -6.694 1.00 0.00 O ATOM 465 CG2 THR A 31 -9.743 -8.095 -7.408 1.00 0.00 C ATOM 0 H THR A 31 -8.091 -9.465 -4.069 1.00 0.00 H new ATOM 0 HA THR A 31 -7.330 -7.652 -6.173 1.00 0.00 H new ATOM 0 HB THR A 31 -9.908 -9.126 -5.537 1.00 0.00 H new ATOM 0 HG1 THR A 31 -8.269 -10.583 -5.953 1.00 0.00 H new ATOM 0 HG21 THR A 31 -10.432 -8.765 -7.922 1.00 0.00 H new ATOM 0 HG22 THR A 31 -10.286 -7.219 -7.054 1.00 0.00 H new ATOM 0 HG23 THR A 31 -8.959 -7.782 -8.097 1.00 0.00 H new ATOM 473 N LYS A 32 -9.401 -6.546 -3.888 1.00 0.00 N ATOM 474 CA LYS A 32 -10.039 -5.289 -3.407 1.00 0.00 C ATOM 475 C LYS A 32 -8.912 -4.312 -3.096 1.00 0.00 C ATOM 476 O LYS A 32 -8.986 -3.138 -3.393 1.00 0.00 O ATOM 477 CB LYS A 32 -10.888 -5.531 -2.139 1.00 0.00 C ATOM 478 CG LYS A 32 -11.654 -6.861 -2.233 1.00 0.00 C ATOM 479 CD LYS A 32 -12.798 -6.786 -3.286 1.00 0.00 C ATOM 480 CE LYS A 32 -12.745 -8.001 -4.227 1.00 0.00 C ATOM 481 NZ LYS A 32 -14.061 -8.149 -4.913 1.00 0.00 N ATOM 0 H LYS A 32 -9.443 -7.333 -3.241 1.00 0.00 H new ATOM 0 HA LYS A 32 -10.712 -4.898 -4.170 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -10.242 -5.541 -1.261 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -11.593 -4.710 -2.007 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -10.964 -7.662 -2.500 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -12.071 -7.112 -1.258 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -13.763 -6.752 -2.781 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -12.708 -5.867 -3.864 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -11.951 -7.872 -4.962 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -12.513 -8.904 -3.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -14.510 -9.039 -4.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -14.676 -7.350 -4.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -13.916 -8.162 -5.943 1.00 0.00 H new ATOM 495 N MET A 33 -7.851 -4.804 -2.514 1.00 0.00 N ATOM 496 CA MET A 33 -6.705 -3.916 -2.204 1.00 0.00 C ATOM 497 C MET A 33 -6.235 -3.288 -3.509 1.00 0.00 C ATOM 498 O MET A 33 -6.053 -2.104 -3.578 1.00 0.00 O ATOM 499 CB MET A 33 -5.566 -4.735 -1.582 1.00 0.00 C ATOM 500 CG MET A 33 -5.687 -4.792 -0.048 1.00 0.00 C ATOM 501 SD MET A 33 -4.041 -5.061 0.660 1.00 0.00 S ATOM 502 CE MET A 33 -4.356 -6.672 1.409 1.00 0.00 C ATOM 0 H MET A 33 -7.733 -5.780 -2.242 1.00 0.00 H new ATOM 0 HA MET A 33 -7.003 -3.143 -1.495 1.00 0.00 H new ATOM 0 HB2 MET A 33 -5.580 -5.747 -1.987 1.00 0.00 H new ATOM 0 HB3 MET A 33 -4.607 -4.295 -1.857 1.00 0.00 H new ATOM 0 HG2 MET A 33 -6.114 -3.863 0.331 1.00 0.00 H new ATOM 0 HG3 MET A 33 -6.361 -5.596 0.248 1.00 0.00 H new ATOM 0 HE1 MET A 33 -3.420 -7.224 1.491 1.00 0.00 H new ATOM 0 HE2 MET A 33 -4.784 -6.534 2.402 1.00 0.00 H new ATOM 0 HE3 MET A 33 -5.054 -7.232 0.787 1.00 0.00 H new ATOM 512 N ARG A 34 -6.053 -4.072 -4.548 1.00 0.00 N ATOM 513 CA ARG A 34 -5.610 -3.499 -5.863 1.00 0.00 C ATOM 514 C ARG A 34 -6.324 -2.165 -6.088 1.00 0.00 C ATOM 515 O ARG A 34 -5.717 -1.155 -6.381 1.00 0.00 O ATOM 516 CB ARG A 34 -6.011 -4.481 -6.985 1.00 0.00 C ATOM 517 CG ARG A 34 -4.788 -5.234 -7.525 1.00 0.00 C ATOM 518 CD ARG A 34 -4.284 -6.230 -6.476 1.00 0.00 C ATOM 519 NE ARG A 34 -3.617 -5.498 -5.363 1.00 0.00 N ATOM 520 CZ ARG A 34 -2.471 -4.908 -5.557 1.00 0.00 C ATOM 521 NH1 ARG A 34 -1.912 -4.931 -6.734 1.00 0.00 N ATOM 522 NH2 ARG A 34 -1.888 -4.289 -4.570 1.00 0.00 N ATOM 0 H ARG A 34 -6.192 -5.082 -4.543 1.00 0.00 H new ATOM 0 HA ARG A 34 -4.531 -3.345 -5.865 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -6.742 -5.194 -6.604 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -6.492 -3.934 -7.796 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -5.050 -5.761 -8.443 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -3.997 -4.527 -7.778 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -5.117 -6.817 -6.089 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -3.585 -6.931 -6.933 1.00 0.00 H new ATOM 0 HE ARG A 34 -4.059 -5.458 -4.445 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -2.371 -5.412 -7.507 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -1.015 -4.468 -6.882 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -2.328 -4.268 -3.650 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -0.991 -3.826 -4.717 1.00 0.00 H new ATOM 536 N ALA A 35 -7.611 -2.169 -5.928 1.00 0.00 N ATOM 537 CA ALA A 35 -8.382 -0.912 -6.109 1.00 0.00 C ATOM 538 C ALA A 35 -7.978 0.082 -5.010 1.00 0.00 C ATOM 539 O ALA A 35 -7.628 1.213 -5.280 1.00 0.00 O ATOM 540 CB ALA A 35 -9.876 -1.234 -6.027 1.00 0.00 C ATOM 0 H ALA A 35 -8.166 -2.988 -5.679 1.00 0.00 H new ATOM 0 HA ALA A 35 -8.170 -0.466 -7.081 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -10.453 -0.319 -6.158 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -10.139 -1.944 -6.811 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -10.102 -1.669 -5.053 1.00 0.00 H new ATOM 546 N ALA A 36 -8.014 -0.339 -3.773 1.00 0.00 N ATOM 547 CA ALA A 36 -7.621 0.567 -2.652 1.00 0.00 C ATOM 548 C ALA A 36 -6.114 0.868 -2.744 1.00 0.00 C ATOM 549 O ALA A 36 -5.627 1.826 -2.177 1.00 0.00 O ATOM 550 CB ALA A 36 -7.927 -0.129 -1.317 1.00 0.00 C ATOM 0 H ALA A 36 -8.300 -1.276 -3.489 1.00 0.00 H new ATOM 0 HA ALA A 36 -8.179 1.501 -2.716 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -7.643 0.525 -0.492 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -8.993 -0.348 -1.257 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -7.362 -1.059 -1.254 1.00 0.00 H new ATOM 556 N ALA A 37 -5.377 0.038 -3.440 1.00 0.00 N ATOM 557 CA ALA A 37 -3.906 0.235 -3.567 1.00 0.00 C ATOM 558 C ALA A 37 -3.604 1.499 -4.364 1.00 0.00 C ATOM 559 O ALA A 37 -3.129 2.483 -3.836 1.00 0.00 O ATOM 560 CB ALA A 37 -3.292 -0.970 -4.280 1.00 0.00 C ATOM 0 H ALA A 37 -5.741 -0.778 -3.931 1.00 0.00 H new ATOM 0 HA ALA A 37 -3.478 0.336 -2.570 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -2.215 -0.828 -4.374 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -3.490 -1.874 -3.703 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -3.733 -1.069 -5.272 1.00 0.00 H new ATOM 566 N LEU A 38 -3.852 1.478 -5.643 1.00 0.00 N ATOM 567 CA LEU A 38 -3.542 2.682 -6.455 1.00 0.00 C ATOM 568 C LEU A 38 -4.402 3.845 -5.976 1.00 0.00 C ATOM 569 O LEU A 38 -4.096 5.004 -6.206 1.00 0.00 O ATOM 570 CB LEU A 38 -3.795 2.425 -7.941 1.00 0.00 C ATOM 571 CG LEU A 38 -3.086 1.129 -8.389 1.00 0.00 C ATOM 572 CD1 LEU A 38 -3.728 0.603 -9.676 1.00 0.00 C ATOM 573 CD2 LEU A 38 -1.597 1.405 -8.646 1.00 0.00 C ATOM 0 H LEU A 38 -4.250 0.690 -6.154 1.00 0.00 H new ATOM 0 HA LEU A 38 -2.487 2.924 -6.331 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -4.866 2.344 -8.126 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -3.433 3.268 -8.530 1.00 0.00 H new ATOM 0 HG LEU A 38 -3.186 0.385 -7.599 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -3.223 -0.312 -9.987 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -4.782 0.393 -9.497 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -3.636 1.353 -10.461 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -1.106 0.485 -8.962 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -1.496 2.157 -9.429 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -1.131 1.770 -7.730 1.00 0.00 H new ATOM 585 N ASP A 39 -5.456 3.559 -5.270 1.00 0.00 N ATOM 586 CA ASP A 39 -6.291 4.667 -4.753 1.00 0.00 C ATOM 587 C ASP A 39 -5.401 5.447 -3.805 1.00 0.00 C ATOM 588 O ASP A 39 -5.370 6.663 -3.812 1.00 0.00 O ATOM 589 CB ASP A 39 -7.503 4.114 -3.995 1.00 0.00 C ATOM 590 CG ASP A 39 -8.414 5.272 -3.577 1.00 0.00 C ATOM 591 OD1 ASP A 39 -9.180 5.729 -4.412 1.00 0.00 O ATOM 592 OD2 ASP A 39 -8.334 5.681 -2.430 1.00 0.00 O ATOM 0 H ASP A 39 -5.771 2.618 -5.032 1.00 0.00 H new ATOM 0 HA ASP A 39 -6.669 5.292 -5.562 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -8.052 3.415 -4.626 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -7.174 3.560 -3.116 1.00 0.00 H new ATOM 597 N ALA A 40 -4.633 4.750 -3.016 1.00 0.00 N ATOM 598 CA ALA A 40 -3.702 5.447 -2.107 1.00 0.00 C ATOM 599 C ALA A 40 -2.734 6.266 -2.963 1.00 0.00 C ATOM 600 O ALA A 40 -2.269 7.307 -2.549 1.00 0.00 O ATOM 601 CB ALA A 40 -2.942 4.433 -1.250 1.00 0.00 C ATOM 0 H ALA A 40 -4.614 3.731 -2.966 1.00 0.00 H new ATOM 0 HA ALA A 40 -4.249 6.105 -1.432 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -2.259 4.959 -0.584 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -3.650 3.853 -0.659 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -2.375 3.763 -1.896 1.00 0.00 H new ATOM 607 N GLN A 41 -2.450 5.827 -4.176 1.00 0.00 N ATOM 608 CA GLN A 41 -1.535 6.629 -5.056 1.00 0.00 C ATOM 609 C GLN A 41 -2.032 8.073 -5.017 1.00 0.00 C ATOM 610 O GLN A 41 -1.271 9.021 -5.020 1.00 0.00 O ATOM 611 CB GLN A 41 -1.599 6.116 -6.515 1.00 0.00 C ATOM 612 CG GLN A 41 -0.334 6.522 -7.300 1.00 0.00 C ATOM 613 CD GLN A 41 0.018 7.985 -7.028 1.00 0.00 C ATOM 614 OE1 GLN A 41 -0.800 8.923 -7.417 1.00 0.00 O flip ATOM 615 NE2 GLN A 41 1.048 8.276 -6.456 1.00 0.00 N flip ATOM 0 H GLN A 41 -2.807 4.964 -4.585 1.00 0.00 H new ATOM 0 HA GLN A 41 -0.506 6.545 -4.707 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -1.701 5.031 -6.519 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -2.483 6.521 -7.008 1.00 0.00 H new ATOM 0 HG2 GLN A 41 0.500 5.882 -7.013 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -0.498 6.374 -8.367 1.00 0.00 H new ATOM 0 HE21 GLN A 41 1.687 7.542 -6.152 1.00 0.00 H new ATOM 0 HE22 GLN A 41 1.274 9.255 -6.279 1.00 0.00 H new ATOM 624 N LYS A 42 -3.327 8.227 -4.969 1.00 0.00 N ATOM 625 CA LYS A 42 -3.920 9.590 -4.920 1.00 0.00 C ATOM 626 C LYS A 42 -3.940 10.065 -3.461 1.00 0.00 C ATOM 627 O LYS A 42 -3.122 10.862 -3.049 1.00 0.00 O ATOM 628 CB LYS A 42 -5.354 9.565 -5.506 1.00 0.00 C ATOM 629 CG LYS A 42 -5.482 8.458 -6.586 1.00 0.00 C ATOM 630 CD LYS A 42 -6.433 8.908 -7.725 1.00 0.00 C ATOM 631 CE LYS A 42 -5.649 9.658 -8.819 1.00 0.00 C ATOM 632 NZ LYS A 42 -6.479 9.765 -10.055 1.00 0.00 N ATOM 0 H LYS A 42 -4.002 7.462 -4.962 1.00 0.00 H new ATOM 0 HA LYS A 42 -3.323 10.279 -5.517 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -6.076 9.388 -4.709 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -5.592 10.535 -5.942 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -4.499 8.229 -6.996 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -5.859 7.542 -6.131 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -6.930 8.039 -8.156 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -7.213 9.553 -7.321 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -5.376 10.653 -8.466 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -4.720 9.132 -9.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -5.945 10.272 -10.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -6.718 8.812 -10.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -7.354 10.286 -9.842 1.00 0.00 H new ATOM 646 N ALA A 43 -4.863 9.579 -2.674 1.00 0.00 N ATOM 647 CA ALA A 43 -4.924 10.005 -1.244 1.00 0.00 C ATOM 648 C ALA A 43 -3.994 9.126 -0.400 1.00 0.00 C ATOM 649 O ALA A 43 -4.318 7.999 -0.080 1.00 0.00 O ATOM 650 CB ALA A 43 -6.362 9.873 -0.740 1.00 0.00 C ATOM 0 H ALA A 43 -5.576 8.907 -2.958 1.00 0.00 H new ATOM 0 HA ALA A 43 -4.603 11.043 -1.159 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -6.412 10.183 0.304 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -7.017 10.507 -1.338 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -6.684 8.835 -0.826 1.00 0.00 H new ATOM 656 N THR A 44 -2.847 9.637 -0.027 1.00 0.00 N ATOM 657 CA THR A 44 -1.887 8.848 0.809 1.00 0.00 C ATOM 658 C THR A 44 -1.387 9.767 1.940 1.00 0.00 C ATOM 659 O THR A 44 -1.398 10.973 1.796 1.00 0.00 O ATOM 660 CB THR A 44 -0.736 8.364 -0.090 1.00 0.00 C ATOM 661 OG1 THR A 44 0.427 8.121 0.680 1.00 0.00 O ATOM 662 CG2 THR A 44 -0.438 9.419 -1.159 1.00 0.00 C ATOM 0 H THR A 44 -2.531 10.576 -0.268 1.00 0.00 H new ATOM 0 HA THR A 44 -2.356 7.970 1.253 1.00 0.00 H new ATOM 0 HB THR A 44 -1.036 7.433 -0.571 1.00 0.00 H new ATOM 0 HG1 THR A 44 1.149 7.812 0.094 1.00 0.00 H new ATOM 0 HG21 THR A 44 0.378 9.073 -1.794 1.00 0.00 H new ATOM 0 HG22 THR A 44 -1.328 9.582 -1.767 1.00 0.00 H new ATOM 0 HG23 THR A 44 -0.152 10.354 -0.678 1.00 0.00 H new ATOM 670 N PRO A 45 -0.996 9.225 3.075 1.00 0.00 N ATOM 671 CA PRO A 45 -0.544 10.041 4.239 1.00 0.00 C ATOM 672 C PRO A 45 0.220 11.334 3.868 1.00 0.00 C ATOM 673 O PRO A 45 -0.009 12.361 4.476 1.00 0.00 O ATOM 674 CB PRO A 45 0.318 9.058 5.041 1.00 0.00 C ATOM 675 CG PRO A 45 -0.342 7.737 4.816 1.00 0.00 C ATOM 676 CD PRO A 45 -0.922 7.780 3.389 1.00 0.00 C ATOM 0 HA PRO A 45 -1.391 10.437 4.799 1.00 0.00 H new ATOM 0 HB2 PRO A 45 1.350 9.054 4.691 1.00 0.00 H new ATOM 0 HB3 PRO A 45 0.341 9.318 6.099 1.00 0.00 H new ATOM 0 HG2 PRO A 45 0.374 6.922 4.920 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -1.129 7.566 5.550 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -0.283 7.250 2.682 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -1.905 7.311 3.343 1.00 0.00 H new ATOM 684 N PRO A 46 1.118 11.311 2.904 1.00 0.00 N ATOM 685 CA PRO A 46 1.904 12.503 2.492 1.00 0.00 C ATOM 686 C PRO A 46 1.340 13.203 1.246 1.00 0.00 C ATOM 687 O PRO A 46 1.831 14.234 0.836 1.00 0.00 O ATOM 688 CB PRO A 46 3.291 11.887 2.199 1.00 0.00 C ATOM 689 CG PRO A 46 3.045 10.400 2.019 1.00 0.00 C ATOM 690 CD PRO A 46 1.530 10.188 2.078 1.00 0.00 C ATOM 0 HA PRO A 46 1.903 13.285 3.251 1.00 0.00 H new ATOM 0 HB2 PRO A 46 3.733 12.323 1.303 1.00 0.00 H new ATOM 0 HB3 PRO A 46 3.984 12.074 3.019 1.00 0.00 H new ATOM 0 HG2 PRO A 46 3.446 10.055 1.066 1.00 0.00 H new ATOM 0 HG3 PRO A 46 3.545 9.829 2.801 1.00 0.00 H new ATOM 0 HD2 PRO A 46 1.072 10.215 1.089 1.00 0.00 H new ATOM 0 HD3 PRO A 46 1.266 9.230 2.525 1.00 0.00 H new ATOM 698 N LYS A 47 0.332 12.654 0.633 1.00 0.00 N ATOM 699 CA LYS A 47 -0.227 13.301 -0.589 1.00 0.00 C ATOM 700 C LYS A 47 0.925 13.576 -1.568 1.00 0.00 C ATOM 701 O LYS A 47 0.925 14.575 -2.257 1.00 0.00 O ATOM 702 CB LYS A 47 -0.949 14.643 -0.258 1.00 0.00 C ATOM 703 CG LYS A 47 -1.495 14.681 1.205 1.00 0.00 C ATOM 704 CD LYS A 47 -0.883 15.864 1.996 1.00 0.00 C ATOM 705 CE LYS A 47 -1.629 17.170 1.661 1.00 0.00 C ATOM 706 NZ LYS A 47 -2.743 17.376 2.632 1.00 0.00 N ATOM 0 H LYS A 47 -0.129 11.791 0.921 1.00 0.00 H new ATOM 0 HA LYS A 47 -0.963 12.627 -1.028 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -0.256 15.471 -0.406 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -1.774 14.790 -0.955 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -2.581 14.773 1.189 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -1.262 13.743 1.708 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -0.944 15.666 3.066 1.00 0.00 H new ATOM 0 HD3 LYS A 47 0.174 15.967 1.751 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -0.940 18.014 1.699 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -2.022 17.125 0.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -3.244 18.258 2.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -3.406 16.576 2.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -2.357 17.437 3.596 1.00 0.00 H new ATOM 720 N LEU A 48 1.907 12.706 -1.607 1.00 0.00 N ATOM 721 CA LEU A 48 3.088 12.910 -2.512 1.00 0.00 C ATOM 722 C LEU A 48 3.772 14.221 -2.109 1.00 0.00 C ATOM 723 O LEU A 48 4.832 14.206 -1.514 1.00 0.00 O ATOM 724 CB LEU A 48 2.627 12.897 -3.993 1.00 0.00 C ATOM 725 CG LEU A 48 3.792 13.097 -5.020 1.00 0.00 C ATOM 726 CD1 LEU A 48 3.883 14.560 -5.437 1.00 0.00 C ATOM 727 CD2 LEU A 48 5.160 12.666 -4.468 1.00 0.00 C ATOM 0 H LEU A 48 1.942 11.855 -1.046 1.00 0.00 H new ATOM 0 HA LEU A 48 3.812 12.102 -2.411 1.00 0.00 H new ATOM 0 HB2 LEU A 48 2.131 11.949 -4.201 1.00 0.00 H new ATOM 0 HB3 LEU A 48 1.887 13.683 -4.140 1.00 0.00 H new ATOM 0 HG LEU A 48 3.555 12.462 -5.873 1.00 0.00 H new ATOM 0 HD11 LEU A 48 4.697 14.685 -6.151 1.00 0.00 H new ATOM 0 HD12 LEU A 48 2.944 14.866 -5.900 1.00 0.00 H new ATOM 0 HD13 LEU A 48 4.073 15.177 -4.559 1.00 0.00 H new ATOM 0 HD21 LEU A 48 5.926 12.829 -5.226 1.00 0.00 H new ATOM 0 HD22 LEU A 48 5.396 13.254 -3.581 1.00 0.00 H new ATOM 0 HD23 LEU A 48 5.129 11.609 -4.205 1.00 0.00 H new ATOM 739 N GLU A 49 3.159 15.345 -2.370 1.00 0.00 N ATOM 740 CA GLU A 49 3.744 16.654 -1.944 1.00 0.00 C ATOM 741 C GLU A 49 2.698 17.329 -1.068 1.00 0.00 C ATOM 742 O GLU A 49 1.758 16.695 -0.632 1.00 0.00 O ATOM 743 CB GLU A 49 4.083 17.522 -3.170 1.00 0.00 C ATOM 744 CG GLU A 49 5.539 17.254 -3.607 1.00 0.00 C ATOM 745 CD GLU A 49 6.510 18.080 -2.754 1.00 0.00 C ATOM 746 OE1 GLU A 49 6.045 18.841 -1.920 1.00 0.00 O ATOM 747 OE2 GLU A 49 7.705 17.931 -2.949 1.00 0.00 O ATOM 0 H GLU A 49 2.270 15.415 -2.865 1.00 0.00 H new ATOM 0 HA GLU A 49 4.675 16.511 -1.396 1.00 0.00 H new ATOM 0 HB2 GLU A 49 3.399 17.296 -3.988 1.00 0.00 H new ATOM 0 HB3 GLU A 49 3.953 18.577 -2.928 1.00 0.00 H new ATOM 0 HG2 GLU A 49 5.767 16.193 -3.506 1.00 0.00 H new ATOM 0 HG3 GLU A 49 5.663 17.508 -4.660 1.00 0.00 H new ATOM 754 N ASP A 50 2.850 18.590 -0.779 1.00 0.00 N ATOM 755 CA ASP A 50 1.860 19.282 0.099 1.00 0.00 C ATOM 756 C ASP A 50 0.923 20.161 -0.733 1.00 0.00 C ATOM 757 O ASP A 50 0.278 21.046 -0.210 1.00 0.00 O ATOM 758 CB ASP A 50 2.630 20.163 1.086 1.00 0.00 C ATOM 759 CG ASP A 50 3.552 19.289 1.937 1.00 0.00 C ATOM 760 OD1 ASP A 50 4.674 19.064 1.517 1.00 0.00 O ATOM 761 OD2 ASP A 50 3.118 18.858 2.993 1.00 0.00 O ATOM 0 H ASP A 50 3.617 19.174 -1.112 1.00 0.00 H new ATOM 0 HA ASP A 50 1.261 18.539 0.626 1.00 0.00 H new ATOM 0 HB2 ASP A 50 3.214 20.908 0.546 1.00 0.00 H new ATOM 0 HB3 ASP A 50 1.934 20.706 1.725 1.00 0.00 H new ATOM 766 N LYS A 51 0.831 19.945 -2.021 1.00 0.00 N ATOM 767 CA LYS A 51 -0.078 20.809 -2.834 1.00 0.00 C ATOM 768 C LYS A 51 -0.363 20.172 -4.203 1.00 0.00 C ATOM 769 O LYS A 51 -1.269 19.374 -4.348 1.00 0.00 O ATOM 770 CB LYS A 51 0.588 22.178 -3.029 1.00 0.00 C ATOM 771 CG LYS A 51 2.046 21.999 -3.537 1.00 0.00 C ATOM 772 CD LYS A 51 3.049 22.500 -2.492 1.00 0.00 C ATOM 773 CE LYS A 51 4.469 22.164 -2.950 1.00 0.00 C ATOM 774 NZ LYS A 51 4.578 22.374 -4.422 1.00 0.00 N ATOM 0 H LYS A 51 1.335 19.223 -2.537 1.00 0.00 H new ATOM 0 HA LYS A 51 -1.027 20.921 -2.309 1.00 0.00 H new ATOM 0 HB2 LYS A 51 0.016 22.770 -3.744 1.00 0.00 H new ATOM 0 HB3 LYS A 51 0.588 22.728 -2.088 1.00 0.00 H new ATOM 0 HG2 LYS A 51 2.234 20.948 -3.754 1.00 0.00 H new ATOM 0 HG3 LYS A 51 2.181 22.546 -4.470 1.00 0.00 H new ATOM 0 HD2 LYS A 51 2.944 23.576 -2.357 1.00 0.00 H new ATOM 0 HD3 LYS A 51 2.847 22.037 -1.526 1.00 0.00 H new ATOM 0 HE2 LYS A 51 5.190 22.793 -2.428 1.00 0.00 H new ATOM 0 HE3 LYS A 51 4.708 21.130 -2.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 5.581 22.430 -4.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 4.129 21.579 -4.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 4.100 23.260 -4.683 1.00 0.00 H new ATOM 788 N SER A 52 0.384 20.535 -5.216 1.00 0.00 N ATOM 789 CA SER A 52 0.138 19.971 -6.572 1.00 0.00 C ATOM 790 C SER A 52 1.247 20.452 -7.525 1.00 0.00 C ATOM 791 O SER A 52 1.049 21.362 -8.307 1.00 0.00 O ATOM 792 CB SER A 52 -1.230 20.465 -7.059 1.00 0.00 C ATOM 793 OG SER A 52 -2.237 19.562 -6.621 1.00 0.00 O ATOM 0 H SER A 52 1.155 21.200 -5.158 1.00 0.00 H new ATOM 0 HA SER A 52 0.145 18.881 -6.544 1.00 0.00 H new ATOM 0 HB2 SER A 52 -1.428 21.465 -6.672 1.00 0.00 H new ATOM 0 HB3 SER A 52 -1.238 20.537 -8.147 1.00 0.00 H new ATOM 0 HG SER A 52 -2.261 19.549 -5.641 1.00 0.00 H new ATOM 799 N PRO A 53 2.407 19.843 -7.451 1.00 0.00 N ATOM 800 CA PRO A 53 3.579 20.208 -8.312 1.00 0.00 C ATOM 801 C PRO A 53 3.194 20.394 -9.786 1.00 0.00 C ATOM 802 O PRO A 53 3.075 21.503 -10.265 1.00 0.00 O ATOM 803 CB PRO A 53 4.531 19.021 -8.127 1.00 0.00 C ATOM 804 CG PRO A 53 4.241 18.535 -6.748 1.00 0.00 C ATOM 805 CD PRO A 53 2.738 18.735 -6.537 1.00 0.00 C ATOM 0 HA PRO A 53 4.018 21.165 -8.029 1.00 0.00 H new ATOM 0 HB2 PRO A 53 4.349 18.244 -8.870 1.00 0.00 H new ATOM 0 HB3 PRO A 53 5.572 19.325 -8.232 1.00 0.00 H new ATOM 0 HG2 PRO A 53 4.514 17.485 -6.639 1.00 0.00 H new ATOM 0 HG3 PRO A 53 4.816 19.093 -6.009 1.00 0.00 H new ATOM 0 HD2 PRO A 53 2.175 17.833 -6.779 1.00 0.00 H new ATOM 0 HD3 PRO A 53 2.508 18.986 -5.502 1.00 0.00 H new ATOM 813 N ASP A 54 2.989 19.316 -10.498 1.00 0.00 N ATOM 814 CA ASP A 54 2.597 19.402 -11.938 1.00 0.00 C ATOM 815 C ASP A 54 1.298 18.615 -12.107 1.00 0.00 C ATOM 816 O ASP A 54 0.339 19.096 -12.677 1.00 0.00 O ATOM 817 CB ASP A 54 3.696 18.775 -12.807 1.00 0.00 C ATOM 818 CG ASP A 54 5.030 19.481 -12.550 1.00 0.00 C ATOM 819 OD1 ASP A 54 5.483 19.459 -11.418 1.00 0.00 O ATOM 820 OD2 ASP A 54 5.580 20.026 -13.492 1.00 0.00 O ATOM 0 H ASP A 54 3.078 18.366 -10.138 1.00 0.00 H new ATOM 0 HA ASP A 54 2.461 20.440 -12.241 1.00 0.00 H new ATOM 0 HB2 ASP A 54 3.788 17.712 -12.582 1.00 0.00 H new ATOM 0 HB3 ASP A 54 3.429 18.856 -13.861 1.00 0.00 H new ATOM 825 N SER A 55 1.293 17.412 -11.583 1.00 0.00 N ATOM 826 CA SER A 55 0.108 16.487 -11.620 1.00 0.00 C ATOM 827 C SER A 55 0.387 15.256 -12.514 1.00 0.00 C ATOM 828 O SER A 55 0.108 14.154 -12.087 1.00 0.00 O ATOM 829 CB SER A 55 -1.211 17.192 -11.994 1.00 0.00 C ATOM 830 OG SER A 55 -1.263 17.487 -13.379 1.00 0.00 O ATOM 0 H SER A 55 2.102 17.013 -11.107 1.00 0.00 H new ATOM 0 HA SER A 55 -0.037 16.132 -10.599 1.00 0.00 H new ATOM 0 HB2 SER A 55 -2.055 16.557 -11.723 1.00 0.00 H new ATOM 0 HB3 SER A 55 -1.309 18.113 -11.420 1.00 0.00 H new ATOM 0 HG SER A 55 -0.964 18.408 -13.529 1.00 0.00 H new ATOM 836 N PRO A 56 0.967 15.370 -13.703 1.00 0.00 N ATOM 837 CA PRO A 56 1.278 14.160 -14.516 1.00 0.00 C ATOM 838 C PRO A 56 2.501 13.444 -13.926 1.00 0.00 C ATOM 839 O PRO A 56 2.640 12.241 -14.011 1.00 0.00 O ATOM 840 CB PRO A 56 1.581 14.703 -15.933 1.00 0.00 C ATOM 841 CG PRO A 56 1.243 16.163 -15.887 1.00 0.00 C ATOM 842 CD PRO A 56 1.385 16.581 -14.425 1.00 0.00 C ATOM 0 HA PRO A 56 0.463 13.436 -14.531 1.00 0.00 H new ATOM 0 HB2 PRO A 56 2.628 14.551 -16.195 1.00 0.00 H new ATOM 0 HB3 PRO A 56 0.986 14.187 -16.686 1.00 0.00 H new ATOM 0 HG2 PRO A 56 1.914 16.739 -16.525 1.00 0.00 H new ATOM 0 HG3 PRO A 56 0.230 16.341 -16.247 1.00 0.00 H new ATOM 0 HD2 PRO A 56 2.409 16.865 -14.182 1.00 0.00 H new ATOM 0 HD3 PRO A 56 0.752 17.435 -14.184 1.00 0.00 H new ATOM 850 N GLU A 57 3.383 14.200 -13.321 1.00 0.00 N ATOM 851 CA GLU A 57 4.598 13.601 -12.703 1.00 0.00 C ATOM 852 C GLU A 57 4.195 12.847 -11.433 1.00 0.00 C ATOM 853 O GLU A 57 4.941 12.043 -10.904 1.00 0.00 O ATOM 854 CB GLU A 57 5.601 14.715 -12.352 1.00 0.00 C ATOM 855 CG GLU A 57 7.016 14.126 -12.240 1.00 0.00 C ATOM 856 CD GLU A 57 7.599 13.910 -13.640 1.00 0.00 C ATOM 857 OE1 GLU A 57 7.385 14.760 -14.487 1.00 0.00 O ATOM 858 OE2 GLU A 57 8.251 12.896 -13.842 1.00 0.00 O ATOM 0 H GLU A 57 3.310 15.213 -13.230 1.00 0.00 H new ATOM 0 HA GLU A 57 5.065 12.910 -13.404 1.00 0.00 H new ATOM 0 HB2 GLU A 57 5.580 15.490 -13.118 1.00 0.00 H new ATOM 0 HB3 GLU A 57 5.319 15.188 -11.411 1.00 0.00 H new ATOM 0 HG2 GLU A 57 7.656 14.799 -11.669 1.00 0.00 H new ATOM 0 HG3 GLU A 57 6.985 13.180 -11.699 1.00 0.00 H new ATOM 865 N MET A 58 3.013 13.097 -10.941 1.00 0.00 N ATOM 866 CA MET A 58 2.570 12.391 -9.709 1.00 0.00 C ATOM 867 C MET A 58 2.478 10.905 -10.019 1.00 0.00 C ATOM 868 O MET A 58 2.773 10.073 -9.187 1.00 0.00 O ATOM 869 CB MET A 58 1.198 12.926 -9.270 1.00 0.00 C ATOM 870 CG MET A 58 0.778 12.304 -7.926 1.00 0.00 C ATOM 871 SD MET A 58 -0.281 13.471 -7.030 1.00 0.00 S ATOM 872 CE MET A 58 -1.148 12.263 -6.001 1.00 0.00 C ATOM 0 H MET A 58 2.340 13.754 -11.336 1.00 0.00 H new ATOM 0 HA MET A 58 3.281 12.558 -8.900 1.00 0.00 H new ATOM 0 HB2 MET A 58 1.238 14.011 -9.178 1.00 0.00 H new ATOM 0 HB3 MET A 58 0.452 12.698 -10.031 1.00 0.00 H new ATOM 0 HG2 MET A 58 0.245 11.368 -8.096 1.00 0.00 H new ATOM 0 HG3 MET A 58 1.660 12.065 -7.331 1.00 0.00 H new ATOM 0 HE1 MET A 58 -1.863 12.778 -5.359 1.00 0.00 H new ATOM 0 HE2 MET A 58 -1.677 11.555 -6.639 1.00 0.00 H new ATOM 0 HE3 MET A 58 -0.427 11.727 -5.384 1.00 0.00 H new ATOM 882 N LYS A 59 2.111 10.551 -11.220 1.00 0.00 N ATOM 883 CA LYS A 59 2.060 9.104 -11.547 1.00 0.00 C ATOM 884 C LYS A 59 3.451 8.527 -11.261 1.00 0.00 C ATOM 885 O LYS A 59 3.596 7.434 -10.758 1.00 0.00 O ATOM 886 CB LYS A 59 1.674 8.895 -13.029 1.00 0.00 C ATOM 887 CG LYS A 59 0.722 7.682 -13.164 1.00 0.00 C ATOM 888 CD LYS A 59 -0.744 8.131 -12.961 1.00 0.00 C ATOM 889 CE LYS A 59 -1.602 6.971 -12.415 1.00 0.00 C ATOM 890 NZ LYS A 59 -1.705 7.090 -10.933 1.00 0.00 N ATOM 0 H LYS A 59 1.850 11.188 -11.973 1.00 0.00 H new ATOM 0 HA LYS A 59 1.305 8.599 -10.945 1.00 0.00 H new ATOM 0 HB2 LYS A 59 1.191 9.792 -13.417 1.00 0.00 H new ATOM 0 HB3 LYS A 59 2.571 8.732 -13.627 1.00 0.00 H new ATOM 0 HG2 LYS A 59 0.838 7.227 -14.147 1.00 0.00 H new ATOM 0 HG3 LYS A 59 0.983 6.922 -12.428 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -0.779 8.972 -12.269 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -1.156 8.480 -13.908 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -2.595 6.996 -12.863 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -1.154 6.014 -12.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -2.283 6.309 -10.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -0.754 7.047 -10.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -2.150 7.997 -10.688 1.00 0.00 H new ATOM 904 N ASP A 60 4.485 9.277 -11.542 1.00 0.00 N ATOM 905 CA ASP A 60 5.851 8.770 -11.248 1.00 0.00 C ATOM 906 C ASP A 60 5.866 8.357 -9.781 1.00 0.00 C ATOM 907 O ASP A 60 6.358 7.303 -9.404 1.00 0.00 O ATOM 908 CB ASP A 60 6.877 9.883 -11.492 1.00 0.00 C ATOM 909 CG ASP A 60 8.281 9.279 -11.586 1.00 0.00 C ATOM 910 OD1 ASP A 60 8.535 8.308 -10.891 1.00 0.00 O ATOM 911 OD2 ASP A 60 9.080 9.801 -12.348 1.00 0.00 O ATOM 0 H ASP A 60 4.441 10.207 -11.957 1.00 0.00 H new ATOM 0 HA ASP A 60 6.105 7.926 -11.890 1.00 0.00 H new ATOM 0 HB2 ASP A 60 6.638 10.416 -12.412 1.00 0.00 H new ATOM 0 HB3 ASP A 60 6.837 10.611 -10.682 1.00 0.00 H new ATOM 916 N PHE A 61 5.281 9.155 -8.937 1.00 0.00 N ATOM 917 CA PHE A 61 5.240 8.759 -7.515 1.00 0.00 C ATOM 918 C PHE A 61 4.637 7.350 -7.444 1.00 0.00 C ATOM 919 O PHE A 61 5.019 6.548 -6.616 1.00 0.00 O ATOM 920 CB PHE A 61 4.432 9.776 -6.693 1.00 0.00 C ATOM 921 CG PHE A 61 4.599 9.496 -5.208 1.00 0.00 C ATOM 922 CD1 PHE A 61 5.883 9.400 -4.629 1.00 0.00 C ATOM 923 CD2 PHE A 61 3.462 9.348 -4.398 1.00 0.00 C ATOM 924 CE1 PHE A 61 6.016 9.152 -3.259 1.00 0.00 C ATOM 925 CE2 PHE A 61 3.603 9.102 -3.028 1.00 0.00 C ATOM 926 CZ PHE A 61 4.880 9.002 -2.460 1.00 0.00 C ATOM 0 H PHE A 61 4.839 10.045 -9.167 1.00 0.00 H new ATOM 0 HA PHE A 61 6.242 8.746 -7.086 1.00 0.00 H new ATOM 0 HB2 PHE A 61 4.767 10.788 -6.920 1.00 0.00 H new ATOM 0 HB3 PHE A 61 3.378 9.721 -6.965 1.00 0.00 H new ATOM 0 HD1 PHE A 61 6.763 9.518 -5.244 1.00 0.00 H new ATOM 0 HD2 PHE A 61 2.477 9.424 -4.833 1.00 0.00 H new ATOM 0 HE1 PHE A 61 6.999 9.076 -2.818 1.00 0.00 H new ATOM 0 HE2 PHE A 61 2.726 8.989 -2.407 1.00 0.00 H new ATOM 0 HZ PHE A 61 4.986 8.809 -1.403 1.00 0.00 H new ATOM 936 N ARG A 62 3.744 7.016 -8.351 1.00 0.00 N ATOM 937 CA ARG A 62 3.195 5.634 -8.358 1.00 0.00 C ATOM 938 C ARG A 62 4.370 4.672 -8.441 1.00 0.00 C ATOM 939 O ARG A 62 4.350 3.630 -7.838 1.00 0.00 O ATOM 940 CB ARG A 62 2.257 5.418 -9.558 1.00 0.00 C ATOM 941 CG ARG A 62 1.389 4.145 -9.343 1.00 0.00 C ATOM 942 CD ARG A 62 1.428 3.254 -10.585 1.00 0.00 C ATOM 943 NE ARG A 62 0.739 3.941 -11.714 1.00 0.00 N ATOM 944 CZ ARG A 62 0.365 3.256 -12.758 1.00 0.00 C ATOM 945 NH1 ARG A 62 0.573 1.969 -12.801 1.00 0.00 N ATOM 946 NH2 ARG A 62 -0.219 3.858 -13.758 1.00 0.00 N ATOM 0 H ARG A 62 3.381 7.637 -9.074 1.00 0.00 H new ATOM 0 HA ARG A 62 2.614 5.463 -7.452 1.00 0.00 H new ATOM 0 HB2 ARG A 62 1.613 6.288 -9.686 1.00 0.00 H new ATOM 0 HB3 ARG A 62 2.842 5.317 -10.472 1.00 0.00 H new ATOM 0 HG2 ARG A 62 1.754 3.590 -8.479 1.00 0.00 H new ATOM 0 HG3 ARG A 62 0.360 4.432 -9.126 1.00 0.00 H new ATOM 0 HD2 ARG A 62 2.461 3.035 -10.855 1.00 0.00 H new ATOM 0 HD3 ARG A 62 0.944 2.300 -10.376 1.00 0.00 H new ATOM 0 HE ARG A 62 0.561 4.944 -11.670 1.00 0.00 H new ATOM 0 HH11 ARG A 62 1.028 1.499 -12.018 1.00 0.00 H new ATOM 0 HH12 ARG A 62 0.281 1.432 -13.618 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -0.383 4.864 -13.722 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -0.512 3.322 -14.575 1.00 0.00 H new ATOM 960 N HIS A 63 5.423 5.021 -9.147 1.00 0.00 N ATOM 961 CA HIS A 63 6.603 4.098 -9.193 1.00 0.00 C ATOM 962 C HIS A 63 6.927 3.728 -7.748 1.00 0.00 C ATOM 963 O HIS A 63 7.365 2.635 -7.444 1.00 0.00 O ATOM 964 CB HIS A 63 7.813 4.795 -9.830 1.00 0.00 C ATOM 965 CG HIS A 63 9.035 3.933 -9.680 1.00 0.00 C ATOM 966 ND1 HIS A 63 9.179 2.726 -10.343 1.00 0.00 N ATOM 967 CD2 HIS A 63 10.188 4.100 -8.952 1.00 0.00 C ATOM 968 CE1 HIS A 63 10.377 2.217 -10.004 1.00 0.00 C ATOM 969 NE2 HIS A 63 11.034 3.015 -9.159 1.00 0.00 N ATOM 0 H HIS A 63 5.516 5.885 -9.681 1.00 0.00 H new ATOM 0 HA HIS A 63 6.376 3.216 -9.792 1.00 0.00 H new ATOM 0 HB2 HIS A 63 7.620 4.987 -10.885 1.00 0.00 H new ATOM 0 HB3 HIS A 63 7.979 5.762 -9.355 1.00 0.00 H new ATOM 0 HD2 HIS A 63 10.405 4.945 -8.316 1.00 0.00 H new ATOM 0 HE1 HIS A 63 10.761 1.277 -10.371 1.00 0.00 H new ATOM 0 HE2 HIS A 63 11.957 2.862 -8.753 1.00 0.00 H new ATOM 977 N GLY A 64 6.661 4.643 -6.855 1.00 0.00 N ATOM 978 CA GLY A 64 6.895 4.366 -5.404 1.00 0.00 C ATOM 979 C GLY A 64 5.853 3.341 -4.921 1.00 0.00 C ATOM 980 O GLY A 64 6.186 2.299 -4.378 1.00 0.00 O ATOM 0 H GLY A 64 6.292 5.570 -7.065 1.00 0.00 H new ATOM 0 HA2 GLY A 64 7.903 3.980 -5.251 1.00 0.00 H new ATOM 0 HA3 GLY A 64 6.815 5.287 -4.826 1.00 0.00 H new ATOM 984 N PHE A 65 4.592 3.625 -5.125 1.00 0.00 N ATOM 985 CA PHE A 65 3.522 2.675 -4.693 1.00 0.00 C ATOM 986 C PHE A 65 3.571 1.439 -5.589 1.00 0.00 C ATOM 987 O PHE A 65 3.471 0.325 -5.128 1.00 0.00 O ATOM 988 CB PHE A 65 2.150 3.355 -4.872 1.00 0.00 C ATOM 989 CG PHE A 65 1.675 3.973 -3.579 1.00 0.00 C ATOM 990 CD1 PHE A 65 0.983 3.193 -2.646 1.00 0.00 C ATOM 991 CD2 PHE A 65 1.906 5.327 -3.326 1.00 0.00 C ATOM 992 CE1 PHE A 65 0.525 3.769 -1.456 1.00 0.00 C ATOM 993 CE2 PHE A 65 1.446 5.905 -2.142 1.00 0.00 C ATOM 994 CZ PHE A 65 0.755 5.126 -1.204 1.00 0.00 C ATOM 0 H PHE A 65 4.256 4.477 -5.574 1.00 0.00 H new ATOM 0 HA PHE A 65 3.671 2.394 -3.651 1.00 0.00 H new ATOM 0 HB2 PHE A 65 2.220 4.124 -5.642 1.00 0.00 H new ATOM 0 HB3 PHE A 65 1.420 2.623 -5.218 1.00 0.00 H new ATOM 0 HD1 PHE A 65 0.802 2.147 -2.844 1.00 0.00 H new ATOM 0 HD2 PHE A 65 2.441 5.927 -4.047 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -0.005 3.167 -0.733 1.00 0.00 H new ATOM 0 HE2 PHE A 65 1.623 6.953 -1.949 1.00 0.00 H new ATOM 0 HZ PHE A 65 0.400 5.573 -0.287 1.00 0.00 H new ATOM 1004 N ASP A 66 3.708 1.643 -6.869 1.00 0.00 N ATOM 1005 CA ASP A 66 3.743 0.504 -7.826 1.00 0.00 C ATOM 1006 C ASP A 66 4.605 -0.623 -7.241 1.00 0.00 C ATOM 1007 O ASP A 66 4.265 -1.787 -7.318 1.00 0.00 O ATOM 1008 CB ASP A 66 4.353 0.974 -9.152 1.00 0.00 C ATOM 1009 CG ASP A 66 4.023 -0.032 -10.259 1.00 0.00 C ATOM 1010 OD1 ASP A 66 2.965 0.096 -10.852 1.00 0.00 O ATOM 1011 OD2 ASP A 66 4.837 -0.908 -10.499 1.00 0.00 O ATOM 0 H ASP A 66 3.798 2.564 -7.298 1.00 0.00 H new ATOM 0 HA ASP A 66 2.731 0.139 -7.999 1.00 0.00 H new ATOM 0 HB2 ASP A 66 3.964 1.958 -9.414 1.00 0.00 H new ATOM 0 HB3 ASP A 66 5.433 1.076 -9.050 1.00 0.00 H new ATOM 1016 N ILE A 67 5.713 -0.280 -6.641 1.00 0.00 N ATOM 1017 CA ILE A 67 6.587 -1.315 -6.032 1.00 0.00 C ATOM 1018 C ILE A 67 5.894 -1.963 -4.830 1.00 0.00 C ATOM 1019 O ILE A 67 5.652 -3.157 -4.812 1.00 0.00 O ATOM 1020 CB ILE A 67 7.882 -0.651 -5.572 1.00 0.00 C ATOM 1021 CG1 ILE A 67 8.600 -0.031 -6.808 1.00 0.00 C ATOM 1022 CG2 ILE A 67 8.767 -1.696 -4.871 1.00 0.00 C ATOM 1023 CD1 ILE A 67 9.625 -1.008 -7.413 1.00 0.00 C ATOM 0 H ILE A 67 6.049 0.678 -6.548 1.00 0.00 H new ATOM 0 HA ILE A 67 6.797 -2.089 -6.770 1.00 0.00 H new ATOM 0 HB ILE A 67 7.673 0.147 -4.860 1.00 0.00 H new ATOM 0 HG12 ILE A 67 7.861 0.237 -7.563 1.00 0.00 H new ATOM 0 HG13 ILE A 67 9.103 0.890 -6.514 1.00 0.00 H new ATOM 0 HG21 ILE A 67 9.693 -1.226 -4.541 1.00 0.00 H new ATOM 0 HG22 ILE A 67 8.238 -2.101 -4.008 1.00 0.00 H new ATOM 0 HG23 ILE A 67 8.998 -2.503 -5.567 1.00 0.00 H new ATOM 0 HD11 ILE A 67 10.107 -0.543 -8.273 1.00 0.00 H new ATOM 0 HD12 ILE A 67 10.378 -1.255 -6.665 1.00 0.00 H new ATOM 0 HD13 ILE A 67 9.117 -1.918 -7.730 1.00 0.00 H new ATOM 1035 N LEU A 68 5.595 -1.202 -3.807 1.00 0.00 N ATOM 1036 CA LEU A 68 4.954 -1.820 -2.608 1.00 0.00 C ATOM 1037 C LEU A 68 3.645 -2.530 -2.989 1.00 0.00 C ATOM 1038 O LEU A 68 3.419 -3.656 -2.594 1.00 0.00 O ATOM 1039 CB LEU A 68 4.755 -0.767 -1.491 1.00 0.00 C ATOM 1040 CG LEU A 68 3.546 0.162 -1.750 1.00 0.00 C ATOM 1041 CD1 LEU A 68 2.279 -0.378 -1.058 1.00 0.00 C ATOM 1042 CD2 LEU A 68 3.852 1.565 -1.185 1.00 0.00 C ATOM 0 H LEU A 68 5.763 -0.198 -3.750 1.00 0.00 H new ATOM 0 HA LEU A 68 5.621 -2.585 -2.210 1.00 0.00 H new ATOM 0 HB2 LEU A 68 4.617 -1.277 -0.538 1.00 0.00 H new ATOM 0 HB3 LEU A 68 5.658 -0.164 -1.402 1.00 0.00 H new ATOM 0 HG LEU A 68 3.373 0.208 -2.825 1.00 0.00 H new ATOM 0 HD11 LEU A 68 1.443 0.293 -1.255 1.00 0.00 H new ATOM 0 HD12 LEU A 68 2.047 -1.370 -1.446 1.00 0.00 H new ATOM 0 HD13 LEU A 68 2.449 -0.439 0.017 1.00 0.00 H new ATOM 0 HD21 LEU A 68 3.002 2.223 -1.366 1.00 0.00 H new ATOM 0 HD22 LEU A 68 4.034 1.494 -0.113 1.00 0.00 H new ATOM 0 HD23 LEU A 68 4.736 1.971 -1.677 1.00 0.00 H new ATOM 1054 N VAL A 69 2.780 -1.917 -3.754 1.00 0.00 N ATOM 1055 CA VAL A 69 1.516 -2.625 -4.126 1.00 0.00 C ATOM 1056 C VAL A 69 1.846 -3.880 -4.944 1.00 0.00 C ATOM 1057 O VAL A 69 1.034 -4.774 -5.086 1.00 0.00 O ATOM 1058 CB VAL A 69 0.605 -1.709 -4.948 1.00 0.00 C ATOM 1059 CG1 VAL A 69 0.422 -0.372 -4.229 1.00 0.00 C ATOM 1060 CG2 VAL A 69 1.211 -1.480 -6.333 1.00 0.00 C ATOM 0 H VAL A 69 2.888 -0.976 -4.132 1.00 0.00 H new ATOM 0 HA VAL A 69 0.997 -2.908 -3.210 1.00 0.00 H new ATOM 0 HB VAL A 69 -0.369 -2.185 -5.061 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -0.227 0.273 -4.821 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -0.029 -0.543 -3.252 1.00 0.00 H new ATOM 0 HG13 VAL A 69 1.392 0.108 -4.101 1.00 0.00 H new ATOM 0 HG21 VAL A 69 0.558 -0.828 -6.913 1.00 0.00 H new ATOM 0 HG22 VAL A 69 2.191 -1.013 -6.229 1.00 0.00 H new ATOM 0 HG23 VAL A 69 1.317 -2.436 -6.846 1.00 0.00 H new ATOM 1070 N GLY A 70 3.026 -3.942 -5.494 1.00 0.00 N ATOM 1071 CA GLY A 70 3.413 -5.127 -6.319 1.00 0.00 C ATOM 1072 C GLY A 70 3.552 -6.360 -5.434 1.00 0.00 C ATOM 1073 O GLY A 70 3.090 -7.430 -5.780 1.00 0.00 O ATOM 0 H GLY A 70 3.744 -3.222 -5.409 1.00 0.00 H new ATOM 0 HA2 GLY A 70 2.662 -5.305 -7.088 1.00 0.00 H new ATOM 0 HA3 GLY A 70 4.354 -4.930 -6.832 1.00 0.00 H new ATOM 1077 N GLN A 71 4.179 -6.242 -4.299 1.00 0.00 N ATOM 1078 CA GLN A 71 4.319 -7.446 -3.434 1.00 0.00 C ATOM 1079 C GLN A 71 2.958 -7.803 -2.818 1.00 0.00 C ATOM 1080 O GLN A 71 2.683 -8.954 -2.538 1.00 0.00 O ATOM 1081 CB GLN A 71 5.357 -7.211 -2.334 1.00 0.00 C ATOM 1082 CG GLN A 71 5.259 -5.784 -1.805 1.00 0.00 C ATOM 1083 CD GLN A 71 6.171 -5.642 -0.585 1.00 0.00 C ATOM 1084 OE1 GLN A 71 6.729 -6.710 -0.077 1.00 0.00 O flip ATOM 1085 NE2 GLN A 71 6.384 -4.552 -0.092 1.00 0.00 N flip ATOM 0 H GLN A 71 4.593 -5.383 -3.937 1.00 0.00 H new ATOM 0 HA GLN A 71 4.663 -8.278 -4.048 1.00 0.00 H new ATOM 0 HB2 GLN A 71 5.200 -7.919 -1.520 1.00 0.00 H new ATOM 0 HB3 GLN A 71 6.358 -7.392 -2.725 1.00 0.00 H new ATOM 0 HG2 GLN A 71 5.552 -5.075 -2.579 1.00 0.00 H new ATOM 0 HG3 GLN A 71 4.229 -5.553 -1.534 1.00 0.00 H new ATOM 0 HE21 GLN A 71 5.949 -3.719 -0.488 1.00 0.00 H new ATOM 0 HE22 GLN A 71 6.998 -4.470 0.718 1.00 0.00 H new ATOM 1094 N ILE A 72 2.092 -6.842 -2.625 1.00 0.00 N ATOM 1095 CA ILE A 72 0.753 -7.169 -2.050 1.00 0.00 C ATOM 1096 C ILE A 72 0.066 -8.143 -3.008 1.00 0.00 C ATOM 1097 O ILE A 72 -0.337 -9.228 -2.636 1.00 0.00 O ATOM 1098 CB ILE A 72 -0.095 -5.895 -1.927 1.00 0.00 C ATOM 1099 CG1 ILE A 72 0.479 -4.998 -0.818 1.00 0.00 C ATOM 1100 CG2 ILE A 72 -1.540 -6.273 -1.579 1.00 0.00 C ATOM 1101 CD1 ILE A 72 -0.242 -3.635 -0.792 1.00 0.00 C ATOM 0 H ILE A 72 2.251 -5.857 -2.837 1.00 0.00 H new ATOM 0 HA ILE A 72 0.865 -7.607 -1.058 1.00 0.00 H new ATOM 0 HB ILE A 72 -0.077 -5.357 -2.875 1.00 0.00 H new ATOM 0 HG12 ILE A 72 0.370 -5.491 0.148 1.00 0.00 H new ATOM 0 HG13 ILE A 72 1.546 -4.848 -0.981 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -2.142 -5.368 -1.492 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -1.950 -6.907 -2.365 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -1.557 -6.813 -0.632 1.00 0.00 H new ATOM 0 HD11 ILE A 72 0.179 -3.016 -0.000 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -0.111 -3.136 -1.752 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -1.305 -3.789 -0.605 1.00 0.00 H new ATOM 1113 N ASP A 73 -0.043 -7.766 -4.252 1.00 0.00 N ATOM 1114 CA ASP A 73 -0.669 -8.666 -5.252 1.00 0.00 C ATOM 1115 C ASP A 73 0.120 -9.959 -5.278 1.00 0.00 C ATOM 1116 O ASP A 73 -0.415 -11.022 -5.474 1.00 0.00 O ATOM 1117 CB ASP A 73 -0.582 -8.017 -6.636 1.00 0.00 C ATOM 1118 CG ASP A 73 -0.889 -9.036 -7.738 1.00 0.00 C ATOM 1119 OD1 ASP A 73 -2.050 -9.354 -7.914 1.00 0.00 O ATOM 1120 OD2 ASP A 73 0.045 -9.476 -8.390 1.00 0.00 O ATOM 0 H ASP A 73 0.277 -6.869 -4.617 1.00 0.00 H new ATOM 0 HA ASP A 73 -1.712 -8.851 -4.994 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -1.285 -7.186 -6.697 1.00 0.00 H new ATOM 0 HB3 ASP A 73 0.415 -7.603 -6.786 1.00 0.00 H new ATOM 1125 N ASP A 74 1.400 -9.887 -5.114 1.00 0.00 N ATOM 1126 CA ASP A 74 2.165 -11.139 -5.181 1.00 0.00 C ATOM 1127 C ASP A 74 1.674 -12.073 -4.088 1.00 0.00 C ATOM 1128 O ASP A 74 1.775 -13.274 -4.201 1.00 0.00 O ATOM 1129 CB ASP A 74 3.655 -10.868 -5.030 1.00 0.00 C ATOM 1130 CG ASP A 74 4.429 -12.191 -5.050 1.00 0.00 C ATOM 1131 OD1 ASP A 74 4.492 -12.831 -4.012 1.00 0.00 O ATOM 1132 OD2 ASP A 74 4.949 -12.536 -6.096 1.00 0.00 O ATOM 0 H ASP A 74 1.936 -9.037 -4.941 1.00 0.00 H new ATOM 0 HA ASP A 74 2.013 -11.607 -6.154 1.00 0.00 H new ATOM 0 HB2 ASP A 74 4.000 -10.222 -5.838 1.00 0.00 H new ATOM 0 HB3 ASP A 74 3.845 -10.339 -4.096 1.00 0.00 H new ATOM 1137 N ALA A 75 1.093 -11.548 -3.051 1.00 0.00 N ATOM 1138 CA ALA A 75 0.553 -12.455 -2.016 1.00 0.00 C ATOM 1139 C ALA A 75 -0.677 -13.103 -2.647 1.00 0.00 C ATOM 1140 O ALA A 75 -0.995 -14.254 -2.422 1.00 0.00 O ATOM 1141 CB ALA A 75 0.162 -11.676 -0.763 1.00 0.00 C ATOM 0 H ALA A 75 0.971 -10.550 -2.879 1.00 0.00 H new ATOM 0 HA ALA A 75 1.290 -13.196 -1.706 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -0.233 -12.364 -0.015 1.00 0.00 H new ATOM 0 HB2 ALA A 75 1.039 -11.168 -0.362 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -0.600 -10.939 -1.016 1.00 0.00 H new ATOM 1147 N LEU A 76 -1.336 -12.352 -3.491 1.00 0.00 N ATOM 1148 CA LEU A 76 -2.523 -12.864 -4.230 1.00 0.00 C ATOM 1149 C LEU A 76 -2.052 -14.058 -5.050 1.00 0.00 C ATOM 1150 O LEU A 76 -2.728 -15.061 -5.190 1.00 0.00 O ATOM 1151 CB LEU A 76 -3.013 -11.732 -5.154 1.00 0.00 C ATOM 1152 CG LEU A 76 -4.477 -11.936 -5.550 1.00 0.00 C ATOM 1153 CD1 LEU A 76 -4.969 -10.681 -6.280 1.00 0.00 C ATOM 1154 CD2 LEU A 76 -4.618 -13.167 -6.464 1.00 0.00 C ATOM 0 H LEU A 76 -1.093 -11.384 -3.702 1.00 0.00 H new ATOM 0 HA LEU A 76 -3.335 -13.167 -3.569 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -2.900 -10.772 -4.649 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -2.393 -11.696 -6.050 1.00 0.00 H new ATOM 0 HG LEU A 76 -5.077 -12.104 -4.656 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -6.012 -10.813 -6.568 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -4.881 -9.818 -5.620 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -4.364 -10.518 -7.172 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -5.665 -13.299 -6.737 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -4.023 -13.021 -7.366 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -4.266 -14.054 -5.937 1.00 0.00 H new ATOM 1166 N LYS A 77 -0.870 -13.938 -5.568 1.00 0.00 N ATOM 1167 CA LYS A 77 -0.257 -15.013 -6.377 1.00 0.00 C ATOM 1168 C LYS A 77 -0.019 -16.248 -5.511 1.00 0.00 C ATOM 1169 O LYS A 77 -0.312 -17.371 -5.883 1.00 0.00 O ATOM 1170 CB LYS A 77 1.078 -14.466 -6.880 1.00 0.00 C ATOM 1171 CG LYS A 77 1.551 -15.220 -8.111 1.00 0.00 C ATOM 1172 CD LYS A 77 3.011 -14.810 -8.421 1.00 0.00 C ATOM 1173 CE LYS A 77 3.978 -15.759 -7.706 1.00 0.00 C ATOM 1174 NZ LYS A 77 3.766 -17.146 -8.209 1.00 0.00 N ATOM 0 H LYS A 77 -0.285 -13.110 -5.459 1.00 0.00 H new ATOM 0 HA LYS A 77 -0.905 -15.304 -7.204 1.00 0.00 H new ATOM 0 HB2 LYS A 77 0.974 -13.407 -7.116 1.00 0.00 H new ATOM 0 HB3 LYS A 77 1.827 -14.545 -6.092 1.00 0.00 H new ATOM 0 HG2 LYS A 77 1.489 -16.295 -7.941 1.00 0.00 H new ATOM 0 HG3 LYS A 77 0.908 -14.994 -8.961 1.00 0.00 H new ATOM 0 HD2 LYS A 77 3.186 -14.839 -9.496 1.00 0.00 H new ATOM 0 HD3 LYS A 77 3.187 -13.784 -8.097 1.00 0.00 H new ATOM 0 HE2 LYS A 77 5.008 -15.449 -7.883 1.00 0.00 H new ATOM 0 HE3 LYS A 77 3.814 -15.721 -6.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 4.676 -17.648 -8.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 3.113 -17.649 -7.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 3.361 -17.110 -9.166 1.00 0.00 H new ATOM 1188 N LEU A 78 0.523 -16.032 -4.360 1.00 0.00 N ATOM 1189 CA LEU A 78 0.822 -17.137 -3.438 1.00 0.00 C ATOM 1190 C LEU A 78 -0.478 -17.833 -3.024 1.00 0.00 C ATOM 1191 O LEU A 78 -0.652 -19.002 -3.264 1.00 0.00 O ATOM 1192 CB LEU A 78 1.525 -16.508 -2.236 1.00 0.00 C ATOM 1193 CG LEU A 78 3.049 -16.709 -2.339 1.00 0.00 C ATOM 1194 CD1 LEU A 78 3.592 -15.915 -3.530 1.00 0.00 C ATOM 1195 CD2 LEU A 78 3.711 -16.221 -1.058 1.00 0.00 C ATOM 0 H LEU A 78 0.778 -15.108 -4.012 1.00 0.00 H new ATOM 0 HA LEU A 78 1.455 -17.896 -3.898 1.00 0.00 H new ATOM 0 HB2 LEU A 78 1.295 -15.444 -2.188 1.00 0.00 H new ATOM 0 HB3 LEU A 78 1.154 -16.956 -1.314 1.00 0.00 H new ATOM 0 HG LEU A 78 3.267 -17.767 -2.481 1.00 0.00 H new ATOM 0 HD11 LEU A 78 4.670 -16.058 -3.602 1.00 0.00 H new ATOM 0 HD12 LEU A 78 3.118 -16.265 -4.447 1.00 0.00 H new ATOM 0 HD13 LEU A 78 3.375 -14.856 -3.391 1.00 0.00 H new ATOM 0 HD21 LEU A 78 4.789 -16.362 -1.129 1.00 0.00 H new ATOM 0 HD22 LEU A 78 3.492 -15.163 -0.916 1.00 0.00 H new ATOM 0 HD23 LEU A 78 3.326 -16.788 -0.211 1.00 0.00 H new ATOM 1207 N ALA A 79 -1.379 -17.132 -2.394 1.00 0.00 N ATOM 1208 CA ALA A 79 -2.660 -17.770 -1.959 1.00 0.00 C ATOM 1209 C ALA A 79 -3.209 -18.674 -3.077 1.00 0.00 C ATOM 1210 O ALA A 79 -3.815 -19.693 -2.811 1.00 0.00 O ATOM 1211 CB ALA A 79 -3.679 -16.681 -1.618 1.00 0.00 C ATOM 0 H ALA A 79 -1.287 -16.144 -2.160 1.00 0.00 H new ATOM 0 HA ALA A 79 -2.475 -18.382 -1.076 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -4.614 -17.144 -1.301 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -3.290 -16.058 -0.812 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -3.860 -16.064 -2.498 1.00 0.00 H new ATOM 1217 N ASN A 80 -2.976 -18.338 -4.322 1.00 0.00 N ATOM 1218 CA ASN A 80 -3.464 -19.226 -5.420 1.00 0.00 C ATOM 1219 C ASN A 80 -2.691 -20.542 -5.322 1.00 0.00 C ATOM 1220 O ASN A 80 -3.185 -21.600 -5.658 1.00 0.00 O ATOM 1221 CB ASN A 80 -3.217 -18.569 -6.782 1.00 0.00 C ATOM 1222 CG ASN A 80 -3.583 -17.083 -6.726 1.00 0.00 C ATOM 1223 OD1 ASN A 80 -4.573 -16.674 -5.977 1.00 0.00 O flip ATOM 1224 ND2 ASN A 80 -2.961 -16.277 -7.383 1.00 0.00 N flip ATOM 0 H ASN A 80 -2.477 -17.500 -4.622 1.00 0.00 H new ATOM 0 HA ASN A 80 -4.535 -19.401 -5.323 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -2.170 -18.683 -7.065 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -3.810 -19.069 -7.548 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -2.187 -16.587 -7.970 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -3.212 -15.289 -7.349 1.00 0.00 H new ATOM 1231 N GLU A 81 -1.486 -20.477 -4.830 1.00 0.00 N ATOM 1232 CA GLU A 81 -0.669 -21.712 -4.661 1.00 0.00 C ATOM 1233 C GLU A 81 -1.057 -22.354 -3.318 1.00 0.00 C ATOM 1234 O GLU A 81 -0.563 -23.396 -2.938 1.00 0.00 O ATOM 1235 CB GLU A 81 0.818 -21.326 -4.655 1.00 0.00 C ATOM 1236 CG GLU A 81 1.701 -22.572 -4.769 1.00 0.00 C ATOM 1237 CD GLU A 81 1.502 -23.224 -6.135 1.00 0.00 C ATOM 1238 OE1 GLU A 81 1.417 -22.498 -7.112 1.00 0.00 O ATOM 1239 OE2 GLU A 81 1.437 -24.442 -6.181 1.00 0.00 O ATOM 0 H GLU A 81 -1.028 -19.615 -4.535 1.00 0.00 H new ATOM 0 HA GLU A 81 -0.847 -22.417 -5.473 1.00 0.00 H new ATOM 0 HB2 GLU A 81 1.027 -20.649 -5.484 1.00 0.00 H new ATOM 0 HB3 GLU A 81 1.056 -20.788 -3.737 1.00 0.00 H new ATOM 0 HG2 GLU A 81 2.748 -22.300 -4.635 1.00 0.00 H new ATOM 0 HG3 GLU A 81 1.451 -23.279 -3.978 1.00 0.00 H new ATOM 1246 N GLY A 82 -1.979 -21.750 -2.613 1.00 0.00 N ATOM 1247 CA GLY A 82 -2.442 -22.330 -1.312 1.00 0.00 C ATOM 1248 C GLY A 82 -1.579 -21.846 -0.138 1.00 0.00 C ATOM 1249 O GLY A 82 -1.205 -22.622 0.722 1.00 0.00 O ATOM 0 H GLY A 82 -2.434 -20.877 -2.882 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -3.482 -22.052 -1.139 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -2.407 -23.418 -1.365 1.00 0.00 H new ATOM 1253 N LYS A 83 -1.282 -20.572 -0.072 1.00 0.00 N ATOM 1254 CA LYS A 83 -0.467 -20.041 1.067 1.00 0.00 C ATOM 1255 C LYS A 83 -1.400 -19.361 2.071 1.00 0.00 C ATOM 1256 O LYS A 83 -1.412 -18.155 2.204 1.00 0.00 O ATOM 1257 CB LYS A 83 0.532 -19.014 0.541 1.00 0.00 C ATOM 1258 CG LYS A 83 1.329 -19.575 -0.649 1.00 0.00 C ATOM 1259 CD LYS A 83 1.882 -20.985 -0.363 1.00 0.00 C ATOM 1260 CE LYS A 83 2.763 -21.459 -1.543 1.00 0.00 C ATOM 1261 NZ LYS A 83 3.940 -22.203 -1.018 1.00 0.00 N ATOM 0 H LYS A 83 -1.569 -19.874 -0.759 1.00 0.00 H new ATOM 0 HA LYS A 83 0.069 -20.859 1.548 1.00 0.00 H new ATOM 0 HB2 LYS A 83 0.003 -18.111 0.235 1.00 0.00 H new ATOM 0 HB3 LYS A 83 1.217 -18.727 1.339 1.00 0.00 H new ATOM 0 HG2 LYS A 83 0.688 -19.609 -1.530 1.00 0.00 H new ATOM 0 HG3 LYS A 83 2.155 -18.902 -0.881 1.00 0.00 H new ATOM 0 HD2 LYS A 83 2.467 -20.975 0.557 1.00 0.00 H new ATOM 0 HD3 LYS A 83 1.059 -21.683 -0.210 1.00 0.00 H new ATOM 0 HE2 LYS A 83 2.183 -22.098 -2.209 1.00 0.00 H new ATOM 0 HE3 LYS A 83 3.094 -20.602 -2.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 4.532 -22.521 -1.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 4.497 -21.580 -0.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 3.615 -23.029 -0.476 1.00 0.00 H new ATOM 1275 N VAL A 84 -2.187 -20.129 2.769 1.00 0.00 N ATOM 1276 CA VAL A 84 -3.140 -19.535 3.760 1.00 0.00 C ATOM 1277 C VAL A 84 -2.391 -18.777 4.867 1.00 0.00 C ATOM 1278 O VAL A 84 -2.654 -17.618 5.120 1.00 0.00 O ATOM 1279 CB VAL A 84 -3.990 -20.637 4.406 1.00 0.00 C ATOM 1280 CG1 VAL A 84 -5.195 -20.002 5.113 1.00 0.00 C ATOM 1281 CG2 VAL A 84 -4.491 -21.612 3.336 1.00 0.00 C ATOM 0 H VAL A 84 -2.215 -21.146 2.699 1.00 0.00 H new ATOM 0 HA VAL A 84 -3.780 -18.837 3.221 1.00 0.00 H new ATOM 0 HB VAL A 84 -3.379 -21.179 5.127 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -5.800 -20.783 5.573 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -4.844 -19.314 5.883 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -5.797 -19.457 4.386 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -5.093 -22.390 3.806 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -5.098 -21.073 2.608 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -3.639 -22.068 2.831 1.00 0.00 H new ATOM 1291 N LYS A 85 -1.477 -19.421 5.547 1.00 0.00 N ATOM 1292 CA LYS A 85 -0.744 -18.733 6.647 1.00 0.00 C ATOM 1293 C LYS A 85 0.234 -17.708 6.064 1.00 0.00 C ATOM 1294 O LYS A 85 0.289 -16.571 6.489 1.00 0.00 O ATOM 1295 CB LYS A 85 0.013 -19.780 7.508 1.00 0.00 C ATOM 1296 CG LYS A 85 0.258 -21.085 6.713 1.00 0.00 C ATOM 1297 CD LYS A 85 1.518 -21.813 7.237 1.00 0.00 C ATOM 1298 CE LYS A 85 1.299 -22.363 8.666 1.00 0.00 C ATOM 1299 NZ LYS A 85 1.138 -23.842 8.601 1.00 0.00 N ATOM 0 H LYS A 85 -1.208 -20.392 5.387 1.00 0.00 H new ATOM 0 HA LYS A 85 -1.457 -18.208 7.282 1.00 0.00 H new ATOM 0 HB2 LYS A 85 0.967 -19.365 7.835 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -0.563 -20.001 8.407 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -0.609 -21.739 6.801 1.00 0.00 H new ATOM 0 HG3 LYS A 85 0.378 -20.855 5.654 1.00 0.00 H new ATOM 0 HD2 LYS A 85 1.772 -22.633 6.565 1.00 0.00 H new ATOM 0 HD3 LYS A 85 2.364 -21.126 7.236 1.00 0.00 H new ATOM 0 HE2 LYS A 85 2.146 -22.105 9.302 1.00 0.00 H new ATOM 0 HE3 LYS A 85 0.415 -21.908 9.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 0.990 -24.218 9.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 0.317 -24.076 8.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 1.994 -24.267 8.191 1.00 0.00 H new ATOM 1313 N GLU A 86 1.008 -18.110 5.109 1.00 0.00 N ATOM 1314 CA GLU A 86 1.997 -17.191 4.495 1.00 0.00 C ATOM 1315 C GLU A 86 1.275 -15.985 3.870 1.00 0.00 C ATOM 1316 O GLU A 86 1.698 -14.858 4.032 1.00 0.00 O ATOM 1317 CB GLU A 86 2.783 -17.987 3.430 1.00 0.00 C ATOM 1318 CG GLU A 86 4.261 -18.123 3.831 1.00 0.00 C ATOM 1319 CD GLU A 86 4.986 -16.798 3.571 1.00 0.00 C ATOM 1320 OE1 GLU A 86 4.503 -16.027 2.756 1.00 0.00 O ATOM 1321 OE2 GLU A 86 6.011 -16.575 4.191 1.00 0.00 O ATOM 0 H GLU A 86 1.000 -19.052 4.719 1.00 0.00 H new ATOM 0 HA GLU A 86 2.687 -16.805 5.245 1.00 0.00 H new ATOM 0 HB2 GLU A 86 2.342 -18.976 3.310 1.00 0.00 H new ATOM 0 HB3 GLU A 86 2.708 -17.485 2.465 1.00 0.00 H new ATOM 0 HG2 GLU A 86 4.340 -18.392 4.884 1.00 0.00 H new ATOM 0 HG3 GLU A 86 4.731 -18.925 3.261 1.00 0.00 H new ATOM 1328 N ALA A 87 0.196 -16.201 3.169 1.00 0.00 N ATOM 1329 CA ALA A 87 -0.520 -15.041 2.561 1.00 0.00 C ATOM 1330 C ALA A 87 -1.039 -14.140 3.679 1.00 0.00 C ATOM 1331 O ALA A 87 -0.927 -12.932 3.617 1.00 0.00 O ATOM 1332 CB ALA A 87 -1.699 -15.525 1.714 1.00 0.00 C ATOM 0 H ALA A 87 -0.217 -17.116 2.992 1.00 0.00 H new ATOM 0 HA ALA A 87 0.169 -14.491 1.920 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -2.210 -14.667 1.278 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -1.333 -16.173 0.917 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -2.395 -16.081 2.343 1.00 0.00 H new ATOM 1338 N GLN A 88 -1.585 -14.712 4.715 1.00 0.00 N ATOM 1339 CA GLN A 88 -2.078 -13.866 5.837 1.00 0.00 C ATOM 1340 C GLN A 88 -0.861 -13.189 6.465 1.00 0.00 C ATOM 1341 O GLN A 88 -0.881 -12.017 6.783 1.00 0.00 O ATOM 1342 CB GLN A 88 -2.804 -14.741 6.875 1.00 0.00 C ATOM 1343 CG GLN A 88 -4.287 -14.846 6.507 1.00 0.00 C ATOM 1344 CD GLN A 88 -4.989 -15.803 7.469 1.00 0.00 C ATOM 1345 OE1 GLN A 88 -5.360 -15.375 8.642 1.00 0.00 O flip ATOM 1346 NE2 GLN A 88 -5.203 -16.954 7.148 1.00 0.00 N flip ATOM 0 H GLN A 88 -1.711 -15.717 4.834 1.00 0.00 H new ATOM 0 HA GLN A 88 -2.786 -13.118 5.479 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -2.355 -15.734 6.907 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -2.695 -14.310 7.870 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -4.754 -13.862 6.552 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -4.393 -15.202 5.482 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -4.913 -17.290 6.230 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -5.673 -17.585 7.797 1.00 0.00 H new ATOM 1355 N ALA A 89 0.212 -13.916 6.616 1.00 0.00 N ATOM 1356 CA ALA A 89 1.439 -13.308 7.187 1.00 0.00 C ATOM 1357 C ALA A 89 1.900 -12.209 6.229 1.00 0.00 C ATOM 1358 O ALA A 89 2.358 -11.157 6.639 1.00 0.00 O ATOM 1359 CB ALA A 89 2.524 -14.383 7.343 1.00 0.00 C ATOM 0 H ALA A 89 0.289 -14.902 6.368 1.00 0.00 H new ATOM 0 HA ALA A 89 1.243 -12.884 8.172 1.00 0.00 H new ATOM 0 HB1 ALA A 89 3.424 -13.933 7.763 1.00 0.00 H new ATOM 0 HB2 ALA A 89 2.166 -15.168 8.009 1.00 0.00 H new ATOM 0 HB3 ALA A 89 2.754 -14.812 6.368 1.00 0.00 H new ATOM 1365 N ALA A 90 1.743 -12.430 4.949 1.00 0.00 N ATOM 1366 CA ALA A 90 2.128 -11.381 3.973 1.00 0.00 C ATOM 1367 C ALA A 90 1.201 -10.198 4.201 1.00 0.00 C ATOM 1368 O ALA A 90 1.560 -9.063 4.014 1.00 0.00 O ATOM 1369 CB ALA A 90 1.968 -11.904 2.543 1.00 0.00 C ATOM 0 H ALA A 90 1.367 -13.288 4.545 1.00 0.00 H new ATOM 0 HA ALA A 90 3.170 -11.092 4.108 1.00 0.00 H new ATOM 0 HB1 ALA A 90 2.254 -11.125 1.836 1.00 0.00 H new ATOM 0 HB2 ALA A 90 2.607 -12.775 2.401 1.00 0.00 H new ATOM 0 HB3 ALA A 90 0.929 -12.185 2.373 1.00 0.00 H new ATOM 1375 N ALA A 91 0.007 -10.454 4.636 1.00 0.00 N ATOM 1376 CA ALA A 91 -0.921 -9.334 4.905 1.00 0.00 C ATOM 1377 C ALA A 91 -0.324 -8.470 6.022 1.00 0.00 C ATOM 1378 O ALA A 91 -0.403 -7.263 5.999 1.00 0.00 O ATOM 1379 CB ALA A 91 -2.281 -9.895 5.330 1.00 0.00 C ATOM 0 H ALA A 91 -0.365 -11.386 4.816 1.00 0.00 H new ATOM 0 HA ALA A 91 -1.061 -8.726 4.011 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -2.968 -9.072 5.529 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -2.683 -10.518 4.531 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -2.161 -10.494 6.233 1.00 0.00 H new ATOM 1385 N GLU A 92 0.278 -9.081 7.004 1.00 0.00 N ATOM 1386 CA GLU A 92 0.871 -8.285 8.112 1.00 0.00 C ATOM 1387 C GLU A 92 2.101 -7.509 7.627 1.00 0.00 C ATOM 1388 O GLU A 92 2.535 -6.569 8.265 1.00 0.00 O ATOM 1389 CB GLU A 92 1.249 -9.228 9.268 1.00 0.00 C ATOM 1390 CG GLU A 92 0.046 -9.399 10.220 1.00 0.00 C ATOM 1391 CD GLU A 92 0.110 -10.767 10.898 1.00 0.00 C ATOM 1392 OE1 GLU A 92 1.095 -11.027 11.568 1.00 0.00 O ATOM 1393 OE2 GLU A 92 -0.826 -11.530 10.730 1.00 0.00 O ATOM 0 H GLU A 92 0.384 -10.092 7.087 1.00 0.00 H new ATOM 0 HA GLU A 92 0.137 -7.560 8.463 1.00 0.00 H new ATOM 0 HB2 GLU A 92 1.553 -10.198 8.874 1.00 0.00 H new ATOM 0 HB3 GLU A 92 2.102 -8.825 9.814 1.00 0.00 H new ATOM 0 HG2 GLU A 92 0.051 -8.610 10.972 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -0.886 -9.303 9.663 1.00 0.00 H new ATOM 1400 N GLN A 93 2.661 -7.863 6.507 1.00 0.00 N ATOM 1401 CA GLN A 93 3.840 -7.112 6.013 1.00 0.00 C ATOM 1402 C GLN A 93 3.324 -5.807 5.421 1.00 0.00 C ATOM 1403 O GLN A 93 3.967 -4.785 5.475 1.00 0.00 O ATOM 1404 CB GLN A 93 4.607 -7.986 4.989 1.00 0.00 C ATOM 1405 CG GLN A 93 4.054 -7.855 3.543 1.00 0.00 C ATOM 1406 CD GLN A 93 4.902 -6.884 2.741 1.00 0.00 C ATOM 1407 OE1 GLN A 93 5.214 -5.746 3.272 1.00 0.00 O flip ATOM 1408 NE2 GLN A 93 5.271 -7.166 1.630 1.00 0.00 N flip ATOM 0 H GLN A 93 2.354 -8.636 5.916 1.00 0.00 H new ATOM 0 HA GLN A 93 4.548 -6.875 6.807 1.00 0.00 H new ATOM 0 HB2 GLN A 93 5.660 -7.704 4.996 1.00 0.00 H new ATOM 0 HB3 GLN A 93 4.554 -9.030 5.299 1.00 0.00 H new ATOM 0 HG2 GLN A 93 4.050 -8.831 3.058 1.00 0.00 H new ATOM 0 HG3 GLN A 93 3.021 -7.509 3.571 1.00 0.00 H new ATOM 0 HE21 GLN A 93 5.019 -8.066 1.222 1.00 0.00 H new ATOM 0 HE22 GLN A 93 5.836 -6.505 1.097 1.00 0.00 H new ATOM 1417 N LEU A 94 2.131 -5.847 4.904 1.00 0.00 N ATOM 1418 CA LEU A 94 1.501 -4.627 4.337 1.00 0.00 C ATOM 1419 C LEU A 94 1.194 -3.647 5.481 1.00 0.00 C ATOM 1420 O LEU A 94 1.400 -2.451 5.378 1.00 0.00 O ATOM 1421 CB LEU A 94 0.199 -5.039 3.641 1.00 0.00 C ATOM 1422 CG LEU A 94 -0.619 -3.806 3.235 1.00 0.00 C ATOM 1423 CD1 LEU A 94 0.234 -2.876 2.364 1.00 0.00 C ATOM 1424 CD2 LEU A 94 -1.853 -4.262 2.451 1.00 0.00 C ATOM 0 H LEU A 94 1.556 -6.688 4.850 1.00 0.00 H new ATOM 0 HA LEU A 94 2.167 -4.145 3.621 1.00 0.00 H new ATOM 0 HB2 LEU A 94 0.427 -5.636 2.758 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -0.391 -5.668 4.307 1.00 0.00 H new ATOM 0 HG LEU A 94 -0.930 -3.264 4.128 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -0.354 -2.003 2.080 1.00 0.00 H new ATOM 0 HD12 LEU A 94 1.112 -2.555 2.925 1.00 0.00 H new ATOM 0 HD13 LEU A 94 0.551 -3.407 1.467 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -2.440 -3.392 2.158 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -1.538 -4.804 1.559 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -2.460 -4.916 3.077 1.00 0.00 H new ATOM 1436 N LYS A 95 0.687 -4.157 6.567 1.00 0.00 N ATOM 1437 CA LYS A 95 0.345 -3.282 7.724 1.00 0.00 C ATOM 1438 C LYS A 95 1.575 -2.482 8.141 1.00 0.00 C ATOM 1439 O LYS A 95 1.635 -1.272 7.994 1.00 0.00 O ATOM 1440 CB LYS A 95 -0.103 -4.156 8.903 1.00 0.00 C ATOM 1441 CG LYS A 95 -1.462 -4.801 8.581 1.00 0.00 C ATOM 1442 CD LYS A 95 -1.771 -5.984 9.550 1.00 0.00 C ATOM 1443 CE LYS A 95 -2.792 -5.572 10.625 1.00 0.00 C ATOM 1444 NZ LYS A 95 -2.528 -6.361 11.859 1.00 0.00 N ATOM 0 H LYS A 95 0.493 -5.149 6.705 1.00 0.00 H new ATOM 0 HA LYS A 95 -0.456 -2.601 7.438 1.00 0.00 H new ATOM 0 HB2 LYS A 95 0.640 -4.929 9.099 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -0.181 -3.552 9.807 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -2.250 -4.051 8.656 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -1.462 -5.161 7.552 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -2.158 -6.830 8.983 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -0.849 -6.316 10.028 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -2.712 -4.505 10.834 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -3.807 -5.752 10.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -3.212 -6.093 12.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -2.625 -7.375 11.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -1.563 -6.167 12.195 1.00 0.00 H new ATOM 1458 N THR A 96 2.551 -3.148 8.679 1.00 0.00 N ATOM 1459 CA THR A 96 3.764 -2.433 9.128 1.00 0.00 C ATOM 1460 C THR A 96 4.520 -1.859 7.922 1.00 0.00 C ATOM 1461 O THR A 96 5.345 -0.991 8.078 1.00 0.00 O ATOM 1462 CB THR A 96 4.652 -3.398 9.936 1.00 0.00 C ATOM 1463 OG1 THR A 96 3.851 -4.459 10.435 1.00 0.00 O ATOM 1464 CG2 THR A 96 5.304 -2.665 11.120 1.00 0.00 C ATOM 0 H THR A 96 2.559 -4.157 8.826 1.00 0.00 H new ATOM 0 HA THR A 96 3.482 -1.598 9.769 1.00 0.00 H new ATOM 0 HB THR A 96 5.434 -3.787 9.284 1.00 0.00 H new ATOM 0 HG1 THR A 96 4.411 -5.078 10.949 1.00 0.00 H new ATOM 0 HG21 THR A 96 5.928 -3.361 11.680 1.00 0.00 H new ATOM 0 HG22 THR A 96 5.919 -1.846 10.747 1.00 0.00 H new ATOM 0 HG23 THR A 96 4.528 -2.267 11.774 1.00 0.00 H new ATOM 1472 N THR A 97 4.258 -2.312 6.716 1.00 0.00 N ATOM 1473 CA THR A 97 5.001 -1.721 5.557 1.00 0.00 C ATOM 1474 C THR A 97 4.852 -0.198 5.638 1.00 0.00 C ATOM 1475 O THR A 97 5.816 0.516 5.732 1.00 0.00 O ATOM 1476 CB THR A 97 4.456 -2.244 4.217 1.00 0.00 C ATOM 1477 OG1 THR A 97 5.054 -3.494 3.938 1.00 0.00 O ATOM 1478 CG2 THR A 97 4.795 -1.282 3.072 1.00 0.00 C ATOM 0 H THR A 97 3.583 -3.042 6.489 1.00 0.00 H new ATOM 0 HA THR A 97 6.051 -2.009 5.607 1.00 0.00 H new ATOM 0 HB THR A 97 3.373 -2.334 4.296 1.00 0.00 H new ATOM 0 HG1 THR A 97 4.449 -4.215 4.213 1.00 0.00 H new ATOM 0 HG21 THR A 97 4.398 -1.676 2.136 1.00 0.00 H new ATOM 0 HG22 THR A 97 4.351 -0.307 3.273 1.00 0.00 H new ATOM 0 HG23 THR A 97 5.877 -1.179 2.992 1.00 0.00 H new ATOM 1486 N ILE A 98 3.644 0.297 5.621 1.00 0.00 N ATOM 1487 CA ILE A 98 3.442 1.766 5.732 1.00 0.00 C ATOM 1488 C ILE A 98 4.073 2.252 7.041 1.00 0.00 C ATOM 1489 O ILE A 98 4.817 3.205 7.065 1.00 0.00 O ATOM 1490 CB ILE A 98 1.919 2.052 5.702 1.00 0.00 C ATOM 1491 CG1 ILE A 98 1.394 1.897 4.243 1.00 0.00 C ATOM 1492 CG2 ILE A 98 1.594 3.469 6.255 1.00 0.00 C ATOM 1493 CD1 ILE A 98 0.909 0.459 3.991 1.00 0.00 C ATOM 0 H ILE A 98 2.790 -0.254 5.535 1.00 0.00 H new ATOM 0 HA ILE A 98 3.915 2.295 4.905 1.00 0.00 H new ATOM 0 HB ILE A 98 1.417 1.331 6.347 1.00 0.00 H new ATOM 0 HG12 ILE A 98 0.577 2.598 4.068 1.00 0.00 H new ATOM 0 HG13 ILE A 98 2.186 2.148 3.537 1.00 0.00 H new ATOM 0 HG21 ILE A 98 0.517 3.635 6.219 1.00 0.00 H new ATOM 0 HG22 ILE A 98 1.939 3.545 7.286 1.00 0.00 H new ATOM 0 HG23 ILE A 98 2.098 4.221 5.648 1.00 0.00 H new ATOM 0 HD11 ILE A 98 0.546 0.372 2.967 1.00 0.00 H new ATOM 0 HD12 ILE A 98 1.735 -0.236 4.144 1.00 0.00 H new ATOM 0 HD13 ILE A 98 0.102 0.221 4.683 1.00 0.00 H new ATOM 1505 N ARG A 99 3.784 1.613 8.128 1.00 0.00 N ATOM 1506 CA ARG A 99 4.365 2.059 9.420 1.00 0.00 C ATOM 1507 C ARG A 99 5.910 1.987 9.381 1.00 0.00 C ATOM 1508 O ARG A 99 6.592 2.926 9.748 1.00 0.00 O ATOM 1509 CB ARG A 99 3.796 1.150 10.528 1.00 0.00 C ATOM 1510 CG ARG A 99 3.362 1.990 11.732 1.00 0.00 C ATOM 1511 CD ARG A 99 3.198 1.097 12.968 1.00 0.00 C ATOM 1512 NE ARG A 99 4.464 0.350 13.231 1.00 0.00 N ATOM 1513 CZ ARG A 99 4.605 -0.326 14.342 1.00 0.00 C ATOM 1514 NH1 ARG A 99 3.650 -0.333 15.229 1.00 0.00 N ATOM 1515 NH2 ARG A 99 5.695 -1.009 14.558 1.00 0.00 N ATOM 0 H ARG A 99 3.171 0.800 8.183 1.00 0.00 H new ATOM 0 HA ARG A 99 4.100 3.098 9.616 1.00 0.00 H new ATOM 0 HB2 ARG A 99 2.946 0.585 10.144 1.00 0.00 H new ATOM 0 HB3 ARG A 99 4.549 0.424 10.835 1.00 0.00 H new ATOM 0 HG2 ARG A 99 4.102 2.765 11.930 1.00 0.00 H new ATOM 0 HG3 ARG A 99 2.422 2.496 11.512 1.00 0.00 H new ATOM 0 HD2 ARG A 99 2.939 1.705 13.834 1.00 0.00 H new ATOM 0 HD3 ARG A 99 2.378 0.396 12.814 1.00 0.00 H new ATOM 0 HE ARG A 99 5.218 0.367 12.545 1.00 0.00 H new ATOM 0 HH11 ARG A 99 2.791 0.189 15.057 1.00 0.00 H new ATOM 0 HH12 ARG A 99 3.762 -0.861 16.095 1.00 0.00 H new ATOM 0 HH21 ARG A 99 6.439 -1.016 13.860 1.00 0.00 H new ATOM 0 HH22 ARG A 99 5.804 -1.536 15.425 1.00 0.00 H new ATOM 1529 N ALA A 100 6.460 0.883 8.953 1.00 0.00 N ATOM 1530 CA ALA A 100 7.953 0.739 8.905 1.00 0.00 C ATOM 1531 C ALA A 100 8.558 1.722 7.898 1.00 0.00 C ATOM 1532 O ALA A 100 9.649 2.225 8.082 1.00 0.00 O ATOM 1533 CB ALA A 100 8.308 -0.690 8.495 1.00 0.00 C ATOM 0 H ALA A 100 5.940 0.067 8.631 1.00 0.00 H new ATOM 0 HA ALA A 100 8.359 0.957 9.893 1.00 0.00 H new ATOM 0 HB1 ALA A 100 9.392 -0.799 8.459 1.00 0.00 H new ATOM 0 HB2 ALA A 100 7.897 -1.390 9.222 1.00 0.00 H new ATOM 0 HB3 ALA A 100 7.889 -0.901 7.511 1.00 0.00 H new ATOM 1539 N TYR A 101 7.852 2.006 6.848 1.00 0.00 N ATOM 1540 CA TYR A 101 8.361 2.961 5.827 1.00 0.00 C ATOM 1541 C TYR A 101 8.389 4.342 6.475 1.00 0.00 C ATOM 1542 O TYR A 101 8.746 5.313 5.850 1.00 0.00 O ATOM 1543 CB TYR A 101 7.383 2.977 4.623 1.00 0.00 C ATOM 1544 CG TYR A 101 7.745 1.926 3.591 1.00 0.00 C ATOM 1545 CD1 TYR A 101 8.337 0.722 3.989 1.00 0.00 C ATOM 1546 CD2 TYR A 101 7.467 2.155 2.227 1.00 0.00 C ATOM 1547 CE1 TYR A 101 8.655 -0.250 3.034 1.00 0.00 C ATOM 1548 CE2 TYR A 101 7.788 1.178 1.273 1.00 0.00 C ATOM 1549 CZ TYR A 101 8.382 -0.024 1.680 1.00 0.00 C ATOM 1550 OH TYR A 101 8.696 -0.989 0.750 1.00 0.00 O ATOM 0 H TYR A 101 6.932 1.614 6.648 1.00 0.00 H new ATOM 0 HA TYR A 101 9.354 2.676 5.479 1.00 0.00 H new ATOM 0 HB2 TYR A 101 6.367 2.804 4.977 1.00 0.00 H new ATOM 0 HB3 TYR A 101 7.395 3.963 4.158 1.00 0.00 H new ATOM 0 HD1 TYR A 101 8.548 0.543 5.033 1.00 0.00 H new ATOM 0 HD2 TYR A 101 7.007 3.082 1.917 1.00 0.00 H new ATOM 0 HE1 TYR A 101 9.113 -1.178 3.343 1.00 0.00 H new ATOM 0 HE2 TYR A 101 7.578 1.352 0.228 1.00 0.00 H new ATOM 0 HH TYR A 101 8.442 -0.677 -0.144 1.00 0.00 H new ATOM 1560 N ASN A 102 7.936 4.410 7.705 1.00 0.00 N ATOM 1561 CA ASN A 102 7.821 5.701 8.452 1.00 0.00 C ATOM 1562 C ASN A 102 6.439 6.212 8.113 1.00 0.00 C ATOM 1563 O ASN A 102 6.289 7.169 7.380 1.00 0.00 O ATOM 1564 CB ASN A 102 8.871 6.746 8.043 1.00 0.00 C ATOM 1565 CG ASN A 102 8.773 7.927 9.007 1.00 0.00 C ATOM 1566 OD1 ASN A 102 9.568 8.058 9.915 1.00 0.00 O ATOM 1567 ND2 ASN A 102 7.813 8.800 8.844 1.00 0.00 N ATOM 0 H ASN A 102 7.632 3.595 8.238 1.00 0.00 H new ATOM 0 HA ASN A 102 7.987 5.534 9.516 1.00 0.00 H new ATOM 0 HB2 ASN A 102 9.871 6.312 8.074 1.00 0.00 H new ATOM 0 HB3 ASN A 102 8.699 7.077 7.019 1.00 0.00 H new ATOM 0 HD21 ASN A 102 7.731 9.593 9.480 1.00 0.00 H new ATOM 0 HD22 ASN A 102 7.146 8.688 8.080 1.00 0.00 H new ATOM 1574 N GLN A 103 5.420 5.530 8.589 1.00 0.00 N ATOM 1575 CA GLN A 103 4.033 5.898 8.247 1.00 0.00 C ATOM 1576 C GLN A 103 4.010 6.214 6.747 1.00 0.00 C ATOM 1577 O GLN A 103 3.624 7.278 6.307 1.00 0.00 O ATOM 1578 CB GLN A 103 3.610 7.090 9.094 1.00 0.00 C ATOM 1579 CG GLN A 103 2.874 6.604 10.355 1.00 0.00 C ATOM 1580 CD GLN A 103 1.483 6.082 9.978 1.00 0.00 C ATOM 1581 OE1 GLN A 103 1.209 5.822 8.728 1.00 0.00 O flip ATOM 1582 NE2 GLN A 103 0.636 5.907 10.831 1.00 0.00 N flip ATOM 0 H GLN A 103 5.507 4.724 9.208 1.00 0.00 H new ATOM 0 HA GLN A 103 3.328 5.093 8.454 1.00 0.00 H new ATOM 0 HB2 GLN A 103 4.485 7.675 9.376 1.00 0.00 H new ATOM 0 HB3 GLN A 103 2.961 7.747 8.514 1.00 0.00 H new ATOM 0 HG2 GLN A 103 3.449 5.815 10.841 1.00 0.00 H new ATOM 0 HG3 GLN A 103 2.784 7.420 11.072 1.00 0.00 H new ATOM 0 HE21 GLN A 103 0.847 6.109 11.808 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -0.286 5.558 10.570 1.00 0.00 H new ATOM 1591 N LYS A 104 4.458 5.248 5.993 1.00 0.00 N ATOM 1592 CA LYS A 104 4.543 5.330 4.526 1.00 0.00 C ATOM 1593 C LYS A 104 5.502 6.458 4.130 1.00 0.00 C ATOM 1594 O LYS A 104 6.679 6.218 3.956 1.00 0.00 O ATOM 1595 CB LYS A 104 3.125 5.478 3.982 1.00 0.00 C ATOM 1596 CG LYS A 104 3.105 5.965 2.531 1.00 0.00 C ATOM 1597 CD LYS A 104 4.083 5.112 1.686 1.00 0.00 C ATOM 1598 CE LYS A 104 3.821 5.292 0.172 1.00 0.00 C ATOM 1599 NZ LYS A 104 4.998 5.968 -0.442 1.00 0.00 N ATOM 0 H LYS A 104 4.785 4.358 6.369 1.00 0.00 H new ATOM 0 HA LYS A 104 4.963 4.427 4.082 1.00 0.00 H new ATOM 0 HB2 LYS A 104 2.612 4.519 4.048 1.00 0.00 H new ATOM 0 HB3 LYS A 104 2.571 6.179 4.606 1.00 0.00 H new ATOM 0 HG2 LYS A 104 2.096 5.890 2.125 1.00 0.00 H new ATOM 0 HG3 LYS A 104 3.390 7.016 2.485 1.00 0.00 H new ATOM 0 HD2 LYS A 104 5.110 5.397 1.916 1.00 0.00 H new ATOM 0 HD3 LYS A 104 3.976 4.061 1.953 1.00 0.00 H new ATOM 0 HE2 LYS A 104 3.653 4.324 -0.300 1.00 0.00 H new ATOM 0 HE3 LYS A 104 2.920 5.884 0.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 4.878 6.003 -1.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 5.076 6.936 -0.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 5.862 5.437 -0.212 1.00 0.00 H new ATOM 1613 N TYR A 105 5.047 7.668 3.983 1.00 0.00 N ATOM 1614 CA TYR A 105 5.985 8.773 3.592 1.00 0.00 C ATOM 1615 C TYR A 105 5.587 10.062 4.317 1.00 0.00 C ATOM 1616 O TYR A 105 5.977 11.147 3.932 1.00 0.00 O ATOM 1617 CB TYR A 105 5.925 8.978 2.053 1.00 0.00 C ATOM 1618 CG TYR A 105 7.290 8.744 1.428 1.00 0.00 C ATOM 1619 CD1 TYR A 105 7.816 7.449 1.358 1.00 0.00 C ATOM 1620 CD2 TYR A 105 8.030 9.827 0.935 1.00 0.00 C ATOM 1621 CE1 TYR A 105 9.080 7.236 0.793 1.00 0.00 C ATOM 1622 CE2 TYR A 105 9.291 9.613 0.369 1.00 0.00 C ATOM 1623 CZ TYR A 105 9.817 8.320 0.299 1.00 0.00 C ATOM 1624 OH TYR A 105 11.065 8.114 -0.255 1.00 0.00 O ATOM 0 H TYR A 105 4.075 7.947 4.114 1.00 0.00 H new ATOM 0 HA TYR A 105 7.004 8.511 3.875 1.00 0.00 H new ATOM 0 HB2 TYR A 105 5.198 8.293 1.618 1.00 0.00 H new ATOM 0 HB3 TYR A 105 5.585 9.989 1.828 1.00 0.00 H new ATOM 0 HD1 TYR A 105 7.247 6.614 1.740 1.00 0.00 H new ATOM 0 HD2 TYR A 105 7.627 10.827 0.992 1.00 0.00 H new ATOM 0 HE1 TYR A 105 9.486 6.237 0.738 1.00 0.00 H new ATOM 0 HE2 TYR A 105 9.859 10.448 -0.014 1.00 0.00 H new ATOM 0 HH TYR A 105 11.438 8.971 -0.549 1.00 0.00 H new ATOM 1634 N GLY A 106 4.809 9.955 5.351 1.00 0.00 N ATOM 1635 CA GLY A 106 4.382 11.177 6.086 1.00 0.00 C ATOM 1636 C GLY A 106 3.933 10.793 7.496 1.00 0.00 C ATOM 1637 O GLY A 106 4.748 10.260 8.231 1.00 0.00 O ATOM 1638 OXT GLY A 106 2.782 11.037 7.816 1.00 0.00 O ATOM 0 H GLY A 106 4.449 9.076 5.721 1.00 0.00 H new ATOM 0 HA2 GLY A 106 5.205 11.890 6.136 1.00 0.00 H new ATOM 0 HA3 GLY A 106 3.567 11.668 5.554 1.00 0.00 H new TER 1642 GLY A 106