USER MOD reduce.3.24.130724 H: found=0, std=0, add=918, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 916 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 54 SER OG : rot 180:sc= 0.869 USER MOD Set 1.2: A 123 SER OG : rot 43:sc= 1.11 USER MOD Set 2.1: A 40 GLN : amide:sc= -2.35! C(o=-4.8!,f=-4.8!) USER MOD Set 2.2: A 44 THR OG1 : rot -105:sc= -2.44! USER MOD Set 3.1: A 25 LYS NZ :NH3+ -147:sc= -0.981 (180deg=-2.33!) USER MOD Set 3.2: A 48 TYR OH : rot 180:sc= 0 USER MOD Set 4.1: A 20 LYS NZ :NH3+ -141:sc= -0.0547 (180deg=0) USER MOD Set 4.2: A 83 ASN : amide:sc= -0.0565 K(o=-0.11,f=0.5) USER MOD Set 5.1: A 16 HIS : no HD1:sc= -0.452 K(o=-7.5,f=-8.1) USER MOD Set 5.2: A 27 HIS : no HE2:sc= -7.07! C(o=-7.5!,f=-8.7!) USER MOD Single : A 1 GLY N :NH3+ -136:sc= 0.0863 (180deg=0) USER MOD Single : A 2 SER OG : rot 62:sc= 0.479 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= -0.0941 USER MOD Single : A 8 THR OG1 : rot 140:sc= 0 USER MOD Single : A 17 TYR OH : rot 87:sc= 0.204 USER MOD Single : A 18 SER OG : rot 7:sc= -0.301 USER MOD Single : A 19 ASN : amide:sc= -4.03! C(o=-4!,f=-1.3!) USER MOD Single : A 22 THR OG1 : rot 24:sc= 0.177! USER MOD Single : A 28 TYR OH : rot -129:sc= 0.0396 USER MOD Single : A 33 CYS SG : rot 180:sc= -1.32 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 CYS SG : rot -18:sc= -1.3! USER MOD Single : A 37 THR OG1 : rot -76:sc= 0.202 USER MOD Single : A 41 ASN : amide:sc= -2.65! X(o=-2.7!,f=-3.1) USER MOD Single : A 42 ASN : amide:sc= -0.568 X(o=-0.57,f=-0.59) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -1.29 K(o=-1.3,f=-5.4!) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ -141:sc= -0.684 (180deg=-2.5!) USER MOD Single : A 58 THR OG1 : rot 0:sc= 1.11 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 63 GLN : amide:sc= -1.72 K(o=-1.7,f=-8.5!) USER MOD Single : A 64 ASN : amide:sc= -0.0376 K(o=-0.038,f=-0.79) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 180:sc= -0.0633 USER MOD Single : A 73 ASN : amide:sc= 0.655 K(o=0.65,f=-0.18) USER MOD Single : A 75 HIS : no HD1:sc= -9.34! C(o=-9.3!,f=-13!) USER MOD Single : A 76 CYS SG : rot -20:sc= -0.336 USER MOD Single : A 81 THR OG1 : rot -49:sc= 1.02 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 MET CE :methyl -146:sc= -0.219 (180deg=-1.49!) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 102 GLN : amide:sc= -0.269 X(o=-0.27,f=0) USER MOD Single : A 112 THR OG1 : rot 180:sc= 0 USER MOD Single : A 116 GLN : amide:sc= -0.0254 X(o=-0.025,f=-0.53) USER MOD Single : A 119 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 10.925 18.612 8.865 1.00 0.00 N ATOM 2 CA GLY A 1 9.767 19.480 8.965 1.00 0.00 C ATOM 3 C GLY A 1 8.882 19.409 7.736 1.00 0.00 C ATOM 4 O GLY A 1 9.060 18.539 6.884 1.00 0.00 O ATOM 0 H1 GLY A 1 11.060 18.108 9.765 1.00 0.00 H new ATOM 0 H2 GLY A 1 10.777 17.923 8.101 1.00 0.00 H new ATOM 0 H3 GLY A 1 11.770 19.182 8.658 1.00 0.00 H new ATOM 0 HA2 GLY A 1 9.185 19.205 9.845 1.00 0.00 H new ATOM 0 HA3 GLY A 1 10.099 20.508 9.111 1.00 0.00 H new ATOM 8 N SER A 2 7.923 20.325 7.645 1.00 0.00 N ATOM 9 CA SER A 2 7.003 20.359 6.514 1.00 0.00 C ATOM 10 C SER A 2 7.458 21.378 5.474 1.00 0.00 C ATOM 11 O SER A 2 6.648 22.123 4.922 1.00 0.00 O ATOM 12 CB SER A 2 5.589 20.697 6.990 1.00 0.00 C ATOM 13 OG SER A 2 5.478 22.068 7.329 1.00 0.00 O ATOM 0 H SER A 2 7.763 21.053 8.341 1.00 0.00 H new ATOM 0 HA SER A 2 6.998 19.372 6.052 1.00 0.00 H new ATOM 0 HB2 SER A 2 4.871 20.454 6.207 1.00 0.00 H new ATOM 0 HB3 SER A 2 5.337 20.084 7.855 1.00 0.00 H new ATOM 0 HG SER A 2 5.655 22.616 6.536 1.00 0.00 H new ATOM 19 N SER A 3 8.761 21.405 5.212 1.00 0.00 N ATOM 20 CA SER A 3 9.327 22.334 4.241 1.00 0.00 C ATOM 21 C SER A 3 9.572 21.641 2.904 1.00 0.00 C ATOM 22 O SER A 3 10.603 21.847 2.266 1.00 0.00 O ATOM 23 CB SER A 3 10.635 22.924 4.770 1.00 0.00 C ATOM 24 OG SER A 3 10.392 23.854 5.812 1.00 0.00 O ATOM 0 H SER A 3 9.445 20.794 5.659 1.00 0.00 H new ATOM 0 HA SER A 3 8.610 23.140 4.086 1.00 0.00 H new ATOM 0 HB2 SER A 3 11.277 22.123 5.136 1.00 0.00 H new ATOM 0 HB3 SER A 3 11.170 23.415 3.958 1.00 0.00 H new ATOM 0 HG SER A 3 11.244 24.215 6.134 1.00 0.00 H new ATOM 30 N GLY A 4 8.615 20.818 2.487 1.00 0.00 N ATOM 31 CA GLY A 4 8.745 20.106 1.229 1.00 0.00 C ATOM 32 C GLY A 4 10.114 19.477 1.058 1.00 0.00 C ATOM 33 O GLY A 4 10.717 19.570 -0.011 1.00 0.00 O ATOM 0 H GLY A 4 7.752 20.632 2.998 1.00 0.00 H new ATOM 0 HA2 GLY A 4 7.982 19.329 1.174 1.00 0.00 H new ATOM 0 HA3 GLY A 4 8.559 20.794 0.404 1.00 0.00 H new ATOM 37 N SER A 5 10.606 18.837 2.114 1.00 0.00 N ATOM 38 CA SER A 5 11.914 18.195 2.077 1.00 0.00 C ATOM 39 C SER A 5 11.785 16.687 2.267 1.00 0.00 C ATOM 40 O SER A 5 12.568 16.072 2.992 1.00 0.00 O ATOM 41 CB SER A 5 12.824 18.781 3.159 1.00 0.00 C ATOM 42 OG SER A 5 13.450 19.970 2.710 1.00 0.00 O ATOM 0 H SER A 5 10.118 18.749 3.006 1.00 0.00 H new ATOM 0 HA SER A 5 12.356 18.384 1.099 1.00 0.00 H new ATOM 0 HB2 SER A 5 12.240 18.990 4.056 1.00 0.00 H new ATOM 0 HB3 SER A 5 13.583 18.049 3.436 1.00 0.00 H new ATOM 0 HG SER A 5 14.024 20.325 3.420 1.00 0.00 H new ATOM 48 N SER A 6 10.792 16.097 1.610 1.00 0.00 N ATOM 49 CA SER A 6 10.556 14.661 1.709 1.00 0.00 C ATOM 50 C SER A 6 9.646 14.181 0.583 1.00 0.00 C ATOM 51 O SER A 6 8.926 14.970 -0.027 1.00 0.00 O ATOM 52 CB SER A 6 9.935 14.317 3.064 1.00 0.00 C ATOM 53 OG SER A 6 9.556 12.953 3.119 1.00 0.00 O ATOM 0 H SER A 6 10.138 16.591 1.003 1.00 0.00 H new ATOM 0 HA SER A 6 11.516 14.153 1.618 1.00 0.00 H new ATOM 0 HB2 SER A 6 10.648 14.532 3.860 1.00 0.00 H new ATOM 0 HB3 SER A 6 9.063 14.947 3.239 1.00 0.00 H new ATOM 0 HG SER A 6 9.163 12.758 3.995 1.00 0.00 H new ATOM 59 N GLY A 7 9.685 12.880 0.313 1.00 0.00 N ATOM 60 CA GLY A 7 8.860 12.316 -0.740 1.00 0.00 C ATOM 61 C GLY A 7 7.762 11.422 -0.199 1.00 0.00 C ATOM 62 O GLY A 7 6.918 11.864 0.582 1.00 0.00 O ATOM 0 H GLY A 7 10.273 12.206 0.804 1.00 0.00 H new ATOM 0 HA2 GLY A 7 8.414 13.124 -1.320 1.00 0.00 H new ATOM 0 HA3 GLY A 7 9.488 11.743 -1.422 1.00 0.00 H new ATOM 66 N THR A 8 7.770 10.159 -0.615 1.00 0.00 N ATOM 67 CA THR A 8 6.766 9.201 -0.170 1.00 0.00 C ATOM 68 C THR A 8 6.961 8.842 1.298 1.00 0.00 C ATOM 69 O THR A 8 8.073 8.536 1.731 1.00 0.00 O ATOM 70 CB THR A 8 6.808 7.912 -1.012 1.00 0.00 C ATOM 71 OG1 THR A 8 6.592 8.221 -2.393 1.00 0.00 O ATOM 72 CG2 THR A 8 5.754 6.922 -0.538 1.00 0.00 C ATOM 0 H THR A 8 8.461 9.776 -1.260 1.00 0.00 H new ATOM 0 HA THR A 8 5.795 9.679 -0.298 1.00 0.00 H new ATOM 0 HB THR A 8 7.792 7.458 -0.892 1.00 0.00 H new ATOM 0 HG1 THR A 8 7.188 7.676 -2.947 1.00 0.00 H new ATOM 0 HG21 THR A 8 5.802 6.019 -1.147 1.00 0.00 H new ATOM 0 HG22 THR A 8 5.938 6.666 0.505 1.00 0.00 H new ATOM 0 HG23 THR A 8 4.765 7.371 -0.632 1.00 0.00 H new ATOM 80 N LEU A 9 5.874 8.882 2.061 1.00 0.00 N ATOM 81 CA LEU A 9 5.925 8.559 3.483 1.00 0.00 C ATOM 82 C LEU A 9 5.902 7.050 3.701 1.00 0.00 C ATOM 83 O LEU A 9 6.590 6.529 4.579 1.00 0.00 O ATOM 84 CB LEU A 9 4.751 9.210 4.217 1.00 0.00 C ATOM 85 CG LEU A 9 4.470 10.672 3.869 1.00 0.00 C ATOM 86 CD1 LEU A 9 3.112 11.097 4.407 1.00 0.00 C ATOM 87 CD2 LEU A 9 5.568 11.571 4.419 1.00 0.00 C ATOM 0 H LEU A 9 4.947 9.135 1.719 1.00 0.00 H new ATOM 0 HA LEU A 9 6.859 8.951 3.885 1.00 0.00 H new ATOM 0 HB2 LEU A 9 3.852 8.629 4.011 1.00 0.00 H new ATOM 0 HB3 LEU A 9 4.936 9.141 5.289 1.00 0.00 H new ATOM 0 HG LEU A 9 4.456 10.771 2.784 1.00 0.00 H new ATOM 0 HD11 LEU A 9 2.929 12.140 4.150 1.00 0.00 H new ATOM 0 HD12 LEU A 9 2.335 10.473 3.966 1.00 0.00 H new ATOM 0 HD13 LEU A 9 3.098 10.983 5.491 1.00 0.00 H new ATOM 0 HD21 LEU A 9 5.352 12.608 4.162 1.00 0.00 H new ATOM 0 HD22 LEU A 9 5.614 11.468 5.503 1.00 0.00 H new ATOM 0 HD23 LEU A 9 6.526 11.282 3.986 1.00 0.00 H new ATOM 99 N ARG A 10 5.109 6.353 2.894 1.00 0.00 N ATOM 100 CA ARG A 10 4.997 4.903 2.998 1.00 0.00 C ATOM 101 C ARG A 10 5.041 4.254 1.617 1.00 0.00 C ATOM 102 O ARG A 10 4.652 4.865 0.622 1.00 0.00 O ATOM 103 CB ARG A 10 3.699 4.520 3.712 1.00 0.00 C ATOM 104 CG ARG A 10 3.741 3.143 4.354 1.00 0.00 C ATOM 105 CD ARG A 10 2.763 3.040 5.514 1.00 0.00 C ATOM 106 NE ARG A 10 3.191 2.056 6.505 1.00 0.00 N ATOM 107 CZ ARG A 10 4.207 2.248 7.339 1.00 0.00 C ATOM 108 NH1 ARG A 10 4.894 3.382 7.303 1.00 0.00 N ATOM 109 NH2 ARG A 10 4.536 1.306 8.213 1.00 0.00 N ATOM 0 H ARG A 10 4.535 6.769 2.161 1.00 0.00 H new ATOM 0 HA ARG A 10 5.844 4.539 3.579 1.00 0.00 H new ATOM 0 HB2 ARG A 10 3.484 5.263 4.480 1.00 0.00 H new ATOM 0 HB3 ARG A 10 2.877 4.553 2.997 1.00 0.00 H new ATOM 0 HG2 ARG A 10 3.503 2.385 3.608 1.00 0.00 H new ATOM 0 HG3 ARG A 10 4.751 2.936 4.708 1.00 0.00 H new ATOM 0 HD2 ARG A 10 2.663 4.015 5.991 1.00 0.00 H new ATOM 0 HD3 ARG A 10 1.778 2.768 5.135 1.00 0.00 H new ATOM 0 HE ARG A 10 2.682 1.174 6.560 1.00 0.00 H new ATOM 0 HH11 ARG A 10 4.643 4.110 6.634 1.00 0.00 H new ATOM 0 HH12 ARG A 10 5.674 3.527 7.945 1.00 0.00 H new ATOM 0 HH21 ARG A 10 4.009 0.433 8.245 1.00 0.00 H new ATOM 0 HH22 ARG A 10 5.316 1.454 8.853 1.00 0.00 H new ATOM 123 N GLU A 11 5.518 3.015 1.567 1.00 0.00 N ATOM 124 CA GLU A 11 5.614 2.285 0.308 1.00 0.00 C ATOM 125 C GLU A 11 5.725 0.783 0.557 1.00 0.00 C ATOM 126 O GLU A 11 6.460 0.342 1.439 1.00 0.00 O ATOM 127 CB GLU A 11 6.821 2.770 -0.498 1.00 0.00 C ATOM 128 CG GLU A 11 7.962 3.283 0.364 1.00 0.00 C ATOM 129 CD GLU A 11 8.514 2.221 1.295 1.00 0.00 C ATOM 130 OE1 GLU A 11 9.321 1.388 0.831 1.00 0.00 O ATOM 131 OE2 GLU A 11 8.139 2.222 2.486 1.00 0.00 O ATOM 0 H GLU A 11 5.844 2.496 2.382 1.00 0.00 H new ATOM 0 HA GLU A 11 4.705 2.475 -0.263 1.00 0.00 H new ATOM 0 HB2 GLU A 11 7.185 1.951 -1.119 1.00 0.00 H new ATOM 0 HB3 GLU A 11 6.501 3.564 -1.173 1.00 0.00 H new ATOM 0 HG2 GLU A 11 8.762 3.648 -0.279 1.00 0.00 H new ATOM 0 HG3 GLU A 11 7.614 4.132 0.953 1.00 0.00 H new ATOM 138 N GLY A 12 4.988 0.003 -0.228 1.00 0.00 N ATOM 139 CA GLY A 12 5.017 -1.440 -0.077 1.00 0.00 C ATOM 140 C GLY A 12 3.802 -2.111 -0.686 1.00 0.00 C ATOM 141 O GLY A 12 2.748 -1.492 -0.827 1.00 0.00 O ATOM 0 H GLY A 12 4.372 0.345 -0.965 1.00 0.00 H new ATOM 0 HA2 GLY A 12 5.919 -1.833 -0.546 1.00 0.00 H new ATOM 0 HA3 GLY A 12 5.074 -1.690 0.982 1.00 0.00 H new ATOM 145 N TRP A 13 3.950 -3.380 -1.050 1.00 0.00 N ATOM 146 CA TRP A 13 2.855 -4.135 -1.650 1.00 0.00 C ATOM 147 C TRP A 13 1.674 -4.237 -0.691 1.00 0.00 C ATOM 148 O TRP A 13 1.802 -4.764 0.414 1.00 0.00 O ATOM 149 CB TRP A 13 3.330 -5.535 -2.044 1.00 0.00 C ATOM 150 CG TRP A 13 4.417 -5.525 -3.076 1.00 0.00 C ATOM 151 CD1 TRP A 13 5.763 -5.563 -2.849 1.00 0.00 C ATOM 152 CD2 TRP A 13 4.249 -5.472 -4.497 1.00 0.00 C ATOM 153 NE1 TRP A 13 6.442 -5.537 -4.043 1.00 0.00 N ATOM 154 CE2 TRP A 13 5.536 -5.482 -5.069 1.00 0.00 C ATOM 155 CE3 TRP A 13 3.136 -5.419 -5.341 1.00 0.00 C ATOM 156 CZ2 TRP A 13 5.738 -5.439 -6.446 1.00 0.00 C ATOM 157 CZ3 TRP A 13 3.339 -5.377 -6.707 1.00 0.00 C ATOM 158 CH2 TRP A 13 4.631 -5.388 -7.249 1.00 0.00 C ATOM 0 H TRP A 13 4.816 -3.907 -0.940 1.00 0.00 H new ATOM 0 HA TRP A 13 2.528 -3.604 -2.544 1.00 0.00 H new ATOM 0 HB2 TRP A 13 3.688 -6.053 -1.154 1.00 0.00 H new ATOM 0 HB3 TRP A 13 2.482 -6.105 -2.425 1.00 0.00 H new ATOM 0 HD1 TRP A 13 6.226 -5.607 -1.874 1.00 0.00 H new ATOM 0 HE1 TRP A 13 7.456 -5.556 -4.148 1.00 0.00 H new ATOM 0 HE3 TRP A 13 2.136 -5.411 -4.933 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 6.733 -5.446 -6.866 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 2.487 -5.335 -7.369 1.00 0.00 H new ATOM 0 HH2 TRP A 13 4.756 -5.356 -8.321 1.00 0.00 H new ATOM 169 N VAL A 14 0.524 -3.728 -1.120 1.00 0.00 N ATOM 170 CA VAL A 14 -0.681 -3.763 -0.300 1.00 0.00 C ATOM 171 C VAL A 14 -1.910 -4.090 -1.141 1.00 0.00 C ATOM 172 O VAL A 14 -2.054 -3.606 -2.264 1.00 0.00 O ATOM 173 CB VAL A 14 -0.908 -2.421 0.421 1.00 0.00 C ATOM 174 CG1 VAL A 14 -2.184 -2.468 1.248 1.00 0.00 C ATOM 175 CG2 VAL A 14 0.290 -2.074 1.292 1.00 0.00 C ATOM 0 H VAL A 14 0.401 -3.286 -2.031 1.00 0.00 H new ATOM 0 HA VAL A 14 -0.535 -4.547 0.443 1.00 0.00 H new ATOM 0 HB VAL A 14 -1.019 -1.639 -0.330 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -2.328 -1.511 1.750 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -3.034 -2.666 0.595 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -2.106 -3.260 1.993 1.00 0.00 H new ATOM 0 HG21 VAL A 14 0.112 -1.123 1.794 1.00 0.00 H new ATOM 0 HG22 VAL A 14 0.436 -2.856 2.038 1.00 0.00 H new ATOM 0 HG23 VAL A 14 1.181 -1.995 0.670 1.00 0.00 H new ATOM 185 N VAL A 15 -2.794 -4.916 -0.591 1.00 0.00 N ATOM 186 CA VAL A 15 -4.013 -5.307 -1.289 1.00 0.00 C ATOM 187 C VAL A 15 -5.241 -4.666 -0.653 1.00 0.00 C ATOM 188 O VAL A 15 -5.298 -4.478 0.563 1.00 0.00 O ATOM 189 CB VAL A 15 -4.190 -6.837 -1.294 1.00 0.00 C ATOM 190 CG1 VAL A 15 -4.510 -7.342 0.104 1.00 0.00 C ATOM 191 CG2 VAL A 15 -5.276 -7.244 -2.279 1.00 0.00 C ATOM 0 H VAL A 15 -2.689 -5.328 0.336 1.00 0.00 H new ATOM 0 HA VAL A 15 -3.916 -4.956 -2.316 1.00 0.00 H new ATOM 0 HB VAL A 15 -3.253 -7.293 -1.613 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -4.632 -8.425 0.081 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -3.695 -7.083 0.780 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -5.433 -6.881 0.455 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -5.388 -8.328 -2.270 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -6.220 -6.779 -1.993 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -5.000 -6.916 -3.281 1.00 0.00 H new ATOM 201 N HIS A 16 -6.224 -4.332 -1.483 1.00 0.00 N ATOM 202 CA HIS A 16 -7.454 -3.713 -1.001 1.00 0.00 C ATOM 203 C HIS A 16 -8.630 -4.062 -1.909 1.00 0.00 C ATOM 204 O HIS A 16 -8.444 -4.584 -3.008 1.00 0.00 O ATOM 205 CB HIS A 16 -7.289 -2.195 -0.923 1.00 0.00 C ATOM 206 CG HIS A 16 -7.469 -1.504 -2.239 1.00 0.00 C ATOM 207 ND1 HIS A 16 -6.545 -1.576 -3.260 1.00 0.00 N ATOM 208 CD2 HIS A 16 -8.476 -0.725 -2.700 1.00 0.00 C ATOM 209 CE1 HIS A 16 -6.974 -0.870 -4.291 1.00 0.00 C ATOM 210 NE2 HIS A 16 -8.144 -0.344 -3.977 1.00 0.00 N ATOM 0 H HIS A 16 -6.193 -4.479 -2.492 1.00 0.00 H new ATOM 0 HA HIS A 16 -7.660 -4.101 -0.003 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -8.011 -1.796 -0.211 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -6.297 -1.965 -0.534 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -9.373 -0.454 -2.163 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -6.456 -0.744 -5.230 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -8.709 0.249 -4.584 1.00 0.00 H new ATOM 219 N TYR A 17 -9.839 -3.772 -1.441 1.00 0.00 N ATOM 220 CA TYR A 17 -11.045 -4.058 -2.209 1.00 0.00 C ATOM 221 C TYR A 17 -12.245 -3.312 -1.635 1.00 0.00 C ATOM 222 O TYR A 17 -12.293 -3.014 -0.442 1.00 0.00 O ATOM 223 CB TYR A 17 -11.322 -5.562 -2.220 1.00 0.00 C ATOM 224 CG TYR A 17 -11.822 -6.095 -0.896 1.00 0.00 C ATOM 225 CD1 TYR A 17 -10.942 -6.360 0.146 1.00 0.00 C ATOM 226 CD2 TYR A 17 -13.175 -6.335 -0.687 1.00 0.00 C ATOM 227 CE1 TYR A 17 -11.394 -6.848 1.357 1.00 0.00 C ATOM 228 CE2 TYR A 17 -13.636 -6.821 0.521 1.00 0.00 C ATOM 229 CZ TYR A 17 -12.742 -7.076 1.539 1.00 0.00 C ATOM 230 OH TYR A 17 -13.197 -7.562 2.744 1.00 0.00 O ATOM 0 H TYR A 17 -10.010 -3.339 -0.533 1.00 0.00 H new ATOM 0 HA TYR A 17 -10.884 -3.718 -3.232 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -12.059 -5.782 -2.992 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -10.408 -6.089 -2.493 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -9.886 -6.181 0.007 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -13.878 -6.138 -1.483 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -10.696 -7.050 2.156 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -14.691 -7.000 0.667 1.00 0.00 H new ATOM 0 HH TYR A 17 -13.367 -6.815 3.355 1.00 0.00 H new ATOM 240 N SER A 18 -13.214 -3.013 -2.495 1.00 0.00 N ATOM 241 CA SER A 18 -14.415 -2.299 -2.076 1.00 0.00 C ATOM 242 C SER A 18 -15.550 -3.274 -1.779 1.00 0.00 C ATOM 243 O SER A 18 -15.386 -4.488 -1.891 1.00 0.00 O ATOM 244 CB SER A 18 -14.848 -1.309 -3.159 1.00 0.00 C ATOM 245 OG SER A 18 -14.202 -0.058 -2.994 1.00 0.00 O ATOM 0 H SER A 18 -13.191 -3.254 -3.486 1.00 0.00 H new ATOM 0 HA SER A 18 -14.183 -1.750 -1.163 1.00 0.00 H new ATOM 0 HB2 SER A 18 -14.614 -1.716 -4.143 1.00 0.00 H new ATOM 0 HB3 SER A 18 -15.929 -1.172 -3.120 1.00 0.00 H new ATOM 0 HG SER A 18 -13.530 -0.128 -2.284 1.00 0.00 H new ATOM 251 N ASN A 19 -16.703 -2.731 -1.399 1.00 0.00 N ATOM 252 CA ASN A 19 -17.867 -3.552 -1.084 1.00 0.00 C ATOM 253 C ASN A 19 -18.893 -3.495 -2.211 1.00 0.00 C ATOM 254 O ASN A 19 -20.100 -3.493 -1.968 1.00 0.00 O ATOM 255 CB ASN A 19 -18.505 -3.087 0.226 1.00 0.00 C ATOM 256 CG ASN A 19 -19.542 -2.001 0.010 1.00 0.00 C ATOM 257 OD1 ASN A 19 -20.723 -2.188 0.305 1.00 0.00 O ATOM 258 ND2 ASN A 19 -19.104 -0.859 -0.506 1.00 0.00 N ATOM 0 H ASN A 19 -16.856 -1.727 -1.302 1.00 0.00 H new ATOM 0 HA ASN A 19 -17.534 -4.584 -0.972 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -18.972 -3.938 0.722 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -17.728 -2.716 0.894 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -19.755 -0.092 -0.673 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -18.116 -0.749 -0.735 1.00 0.00 H new ATOM 265 N LYS A 20 -18.405 -3.450 -3.447 1.00 0.00 N ATOM 266 CA LYS A 20 -19.278 -3.395 -4.613 1.00 0.00 C ATOM 267 C LYS A 20 -18.904 -4.474 -5.624 1.00 0.00 C ATOM 268 O LYS A 20 -19.772 -5.163 -6.161 1.00 0.00 O ATOM 269 CB LYS A 20 -19.199 -2.016 -5.271 1.00 0.00 C ATOM 270 CG LYS A 20 -20.130 -0.990 -4.647 1.00 0.00 C ATOM 271 CD LYS A 20 -20.597 0.033 -5.668 1.00 0.00 C ATOM 272 CE LYS A 20 -19.490 1.016 -6.018 1.00 0.00 C ATOM 273 NZ LYS A 20 -19.964 2.078 -6.948 1.00 0.00 N ATOM 0 H LYS A 20 -17.409 -3.451 -3.666 1.00 0.00 H new ATOM 0 HA LYS A 20 -20.300 -3.573 -4.279 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -18.174 -1.650 -5.207 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -19.437 -2.114 -6.330 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -20.994 -1.496 -4.216 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -19.618 -0.482 -3.830 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -20.930 -0.478 -6.571 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -21.456 0.576 -5.274 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -19.111 1.476 -5.105 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -18.658 0.479 -6.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -19.220 2.287 -7.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -20.819 1.751 -7.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -20.184 2.939 -6.408 1.00 0.00 H new ATOM 287 N ASP A 21 -17.608 -4.617 -5.877 1.00 0.00 N ATOM 288 CA ASP A 21 -17.118 -5.614 -6.822 1.00 0.00 C ATOM 289 C ASP A 21 -16.144 -6.572 -6.145 1.00 0.00 C ATOM 290 O ASP A 21 -15.815 -7.628 -6.687 1.00 0.00 O ATOM 291 CB ASP A 21 -16.439 -4.932 -8.011 1.00 0.00 C ATOM 292 CG ASP A 21 -17.428 -4.516 -9.082 1.00 0.00 C ATOM 293 OD1 ASP A 21 -18.048 -5.410 -9.696 1.00 0.00 O ATOM 294 OD2 ASP A 21 -17.581 -3.298 -9.307 1.00 0.00 O ATOM 0 H ASP A 21 -16.877 -4.055 -5.441 1.00 0.00 H new ATOM 0 HA ASP A 21 -17.972 -6.187 -7.182 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -15.896 -4.054 -7.661 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -15.703 -5.610 -8.444 1.00 0.00 H new ATOM 299 N THR A 22 -15.683 -6.197 -4.955 1.00 0.00 N ATOM 300 CA THR A 22 -14.744 -7.021 -4.204 1.00 0.00 C ATOM 301 C THR A 22 -13.612 -7.516 -5.096 1.00 0.00 C ATOM 302 O THR A 22 -13.315 -8.711 -5.135 1.00 0.00 O ATOM 303 CB THR A 22 -15.448 -8.234 -3.566 1.00 0.00 C ATOM 304 OG1 THR A 22 -16.271 -8.890 -4.537 1.00 0.00 O ATOM 305 CG2 THR A 22 -16.297 -7.804 -2.380 1.00 0.00 C ATOM 0 H THR A 22 -15.945 -5.327 -4.491 1.00 0.00 H new ATOM 0 HA THR A 22 -14.332 -6.392 -3.415 1.00 0.00 H new ATOM 0 HB THR A 22 -14.683 -8.926 -3.213 1.00 0.00 H new ATOM 0 HG1 THR A 22 -15.937 -8.692 -5.437 1.00 0.00 H new ATOM 0 HG21 THR A 22 -16.784 -8.677 -1.946 1.00 0.00 H new ATOM 0 HG22 THR A 22 -15.662 -7.332 -1.630 1.00 0.00 H new ATOM 0 HG23 THR A 22 -17.054 -7.094 -2.713 1.00 0.00 H new ATOM 313 N LEU A 23 -12.982 -6.592 -5.812 1.00 0.00 N ATOM 314 CA LEU A 23 -11.880 -6.934 -6.704 1.00 0.00 C ATOM 315 C LEU A 23 -10.535 -6.694 -6.026 1.00 0.00 C ATOM 316 O LEU A 23 -9.840 -5.724 -6.330 1.00 0.00 O ATOM 317 CB LEU A 23 -11.967 -6.115 -7.993 1.00 0.00 C ATOM 318 CG LEU A 23 -12.768 -4.815 -7.909 1.00 0.00 C ATOM 319 CD1 LEU A 23 -12.088 -3.830 -6.970 1.00 0.00 C ATOM 320 CD2 LEU A 23 -12.940 -4.204 -9.292 1.00 0.00 C ATOM 0 H LEU A 23 -13.216 -5.599 -5.792 1.00 0.00 H new ATOM 0 HA LEU A 23 -11.959 -7.993 -6.948 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -10.954 -5.874 -8.316 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -12.408 -6.741 -8.769 1.00 0.00 H new ATOM 0 HG LEU A 23 -13.756 -5.044 -7.510 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -12.672 -2.911 -6.922 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -12.017 -4.267 -5.974 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -11.088 -3.606 -7.340 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -13.512 -3.280 -9.213 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -11.961 -3.989 -9.719 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -13.471 -4.905 -9.936 1.00 0.00 H new ATOM 332 N ARG A 24 -10.174 -7.584 -5.108 1.00 0.00 N ATOM 333 CA ARG A 24 -8.911 -7.469 -4.387 1.00 0.00 C ATOM 334 C ARG A 24 -7.741 -7.337 -5.358 1.00 0.00 C ATOM 335 O ARG A 24 -7.495 -8.224 -6.175 1.00 0.00 O ATOM 336 CB ARG A 24 -8.703 -8.686 -3.483 1.00 0.00 C ATOM 337 CG ARG A 24 -9.205 -8.482 -2.063 1.00 0.00 C ATOM 338 CD ARG A 24 -8.420 -9.323 -1.069 1.00 0.00 C ATOM 339 NE ARG A 24 -8.619 -8.873 0.306 1.00 0.00 N ATOM 340 CZ ARG A 24 -8.205 -7.696 0.761 1.00 0.00 C ATOM 341 NH1 ARG A 24 -7.573 -6.854 -0.045 1.00 0.00 N ATOM 342 NH2 ARG A 24 -8.423 -7.358 2.026 1.00 0.00 N ATOM 0 H ARG A 24 -10.738 -8.393 -4.845 1.00 0.00 H new ATOM 0 HA ARG A 24 -8.953 -6.570 -3.771 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -9.213 -9.544 -3.920 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -7.641 -8.928 -3.453 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -9.123 -7.429 -1.795 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -10.262 -8.744 -2.008 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -8.724 -10.366 -1.157 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -7.359 -9.279 -1.315 1.00 0.00 H new ATOM 0 HE ARG A 24 -9.102 -9.497 0.952 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -7.403 -7.109 -1.018 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -7.256 -5.951 0.308 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -8.909 -8.003 2.650 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -8.105 -6.454 2.374 1.00 0.00 H new ATOM 356 N LYS A 25 -7.023 -6.223 -5.262 1.00 0.00 N ATOM 357 CA LYS A 25 -5.878 -5.973 -6.130 1.00 0.00 C ATOM 358 C LYS A 25 -4.635 -5.647 -5.310 1.00 0.00 C ATOM 359 O LYS A 25 -4.646 -4.733 -4.485 1.00 0.00 O ATOM 360 CB LYS A 25 -6.184 -4.823 -7.093 1.00 0.00 C ATOM 361 CG LYS A 25 -6.703 -3.574 -6.403 1.00 0.00 C ATOM 362 CD LYS A 25 -7.407 -2.648 -7.381 1.00 0.00 C ATOM 363 CE LYS A 25 -8.887 -2.980 -7.496 1.00 0.00 C ATOM 364 NZ LYS A 25 -9.166 -3.873 -8.655 1.00 0.00 N ATOM 0 H LYS A 25 -7.214 -5.479 -4.591 1.00 0.00 H new ATOM 0 HA LYS A 25 -5.685 -6.879 -6.705 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -5.279 -4.573 -7.646 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -6.921 -5.158 -7.823 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -7.393 -3.857 -5.608 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -5.874 -3.046 -5.933 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -7.289 -1.615 -7.055 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -6.938 -2.728 -8.362 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -9.224 -3.461 -6.578 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -9.459 -2.058 -7.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -10.103 -3.650 -9.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -8.441 -3.729 -9.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -9.150 -4.864 -8.341 1.00 0.00 H new ATOM 378 N ARG A 26 -3.564 -6.399 -5.543 1.00 0.00 N ATOM 379 CA ARG A 26 -2.312 -6.188 -4.825 1.00 0.00 C ATOM 380 C ARG A 26 -1.324 -5.395 -5.676 1.00 0.00 C ATOM 381 O ARG A 26 -1.049 -5.753 -6.822 1.00 0.00 O ATOM 382 CB ARG A 26 -1.696 -7.531 -4.427 1.00 0.00 C ATOM 383 CG ARG A 26 -0.290 -7.412 -3.862 1.00 0.00 C ATOM 384 CD ARG A 26 0.433 -8.750 -3.881 1.00 0.00 C ATOM 385 NE ARG A 26 1.882 -8.589 -3.955 1.00 0.00 N ATOM 386 CZ ARG A 26 2.746 -9.531 -3.595 1.00 0.00 C ATOM 387 NH1 ARG A 26 2.309 -10.696 -3.137 1.00 0.00 N ATOM 388 NH2 ARG A 26 4.051 -9.309 -3.692 1.00 0.00 N ATOM 0 H ARG A 26 -3.538 -7.159 -6.223 1.00 0.00 H new ATOM 0 HA ARG A 26 -2.531 -5.615 -3.924 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -2.337 -8.010 -3.687 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -1.674 -8.184 -5.300 1.00 0.00 H new ATOM 0 HG2 ARG A 26 0.276 -6.683 -4.442 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -0.338 -7.038 -2.839 1.00 0.00 H new ATOM 0 HD2 ARG A 26 0.176 -9.313 -2.984 1.00 0.00 H new ATOM 0 HD3 ARG A 26 0.089 -9.335 -4.734 1.00 0.00 H new ATOM 0 HE ARG A 26 2.251 -7.704 -4.302 1.00 0.00 H new ATOM 0 HH11 ARG A 26 1.307 -10.870 -3.060 1.00 0.00 H new ATOM 0 HH12 ARG A 26 2.975 -11.418 -2.861 1.00 0.00 H new ATOM 0 HH21 ARG A 26 4.391 -8.414 -4.043 1.00 0.00 H new ATOM 0 HH22 ARG A 26 4.714 -10.033 -3.415 1.00 0.00 H new ATOM 402 N HIS A 27 -0.794 -4.317 -5.107 1.00 0.00 N ATOM 403 CA HIS A 27 0.163 -3.473 -5.814 1.00 0.00 C ATOM 404 C HIS A 27 0.979 -2.637 -4.831 1.00 0.00 C ATOM 405 O HIS A 27 0.543 -2.380 -3.709 1.00 0.00 O ATOM 406 CB HIS A 27 -0.562 -2.558 -6.800 1.00 0.00 C ATOM 407 CG HIS A 27 -1.975 -2.252 -6.406 1.00 0.00 C ATOM 408 ND1 HIS A 27 -2.946 -1.883 -7.313 1.00 0.00 N ATOM 409 CD2 HIS A 27 -2.578 -2.264 -5.195 1.00 0.00 C ATOM 410 CE1 HIS A 27 -4.085 -1.679 -6.676 1.00 0.00 C ATOM 411 NE2 HIS A 27 -3.889 -1.904 -5.390 1.00 0.00 N ATOM 0 H HIS A 27 -1.011 -4.007 -4.160 1.00 0.00 H new ATOM 0 HA HIS A 27 0.844 -4.121 -6.366 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -0.008 -1.624 -6.890 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -0.561 -3.025 -7.785 1.00 0.00 H new ATOM 0 HD1 HIS A 27 -2.806 -1.783 -8.318 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -2.115 -2.511 -4.251 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -5.018 -1.379 -7.130 1.00 0.00 H new ATOM 420 N TYR A 28 2.163 -2.217 -5.261 1.00 0.00 N ATOM 421 CA TYR A 28 3.041 -1.414 -4.419 1.00 0.00 C ATOM 422 C TYR A 28 2.400 -0.068 -4.091 1.00 0.00 C ATOM 423 O TYR A 28 2.548 0.900 -4.837 1.00 0.00 O ATOM 424 CB TYR A 28 4.387 -1.195 -5.111 1.00 0.00 C ATOM 425 CG TYR A 28 5.546 -1.051 -4.151 1.00 0.00 C ATOM 426 CD1 TYR A 28 6.030 -2.147 -3.447 1.00 0.00 C ATOM 427 CD2 TYR A 28 6.155 0.180 -3.945 1.00 0.00 C ATOM 428 CE1 TYR A 28 7.088 -2.021 -2.568 1.00 0.00 C ATOM 429 CE2 TYR A 28 7.215 0.316 -3.069 1.00 0.00 C ATOM 430 CZ TYR A 28 7.677 -0.788 -2.383 1.00 0.00 C ATOM 431 OH TYR A 28 8.732 -0.657 -1.508 1.00 0.00 O ATOM 0 H TYR A 28 2.537 -2.419 -6.188 1.00 0.00 H new ATOM 0 HA TYR A 28 3.203 -1.956 -3.487 1.00 0.00 H new ATOM 0 HB2 TYR A 28 4.582 -2.033 -5.780 1.00 0.00 H new ATOM 0 HB3 TYR A 28 4.326 -0.300 -5.730 1.00 0.00 H new ATOM 0 HD1 TYR A 28 5.571 -3.114 -3.590 1.00 0.00 H new ATOM 0 HD2 TYR A 28 5.794 1.046 -4.479 1.00 0.00 H new ATOM 0 HE1 TYR A 28 7.452 -2.883 -2.029 1.00 0.00 H new ATOM 0 HE2 TYR A 28 7.679 1.280 -2.922 1.00 0.00 H new ATOM 0 HH TYR A 28 8.555 0.083 -0.891 1.00 0.00 H new ATOM 441 N TRP A 29 1.688 -0.017 -2.971 1.00 0.00 N ATOM 442 CA TRP A 29 1.025 1.209 -2.543 1.00 0.00 C ATOM 443 C TRP A 29 2.045 2.277 -2.163 1.00 0.00 C ATOM 444 O TRP A 29 3.133 1.964 -1.681 1.00 0.00 O ATOM 445 CB TRP A 29 0.099 0.926 -1.359 1.00 0.00 C ATOM 446 CG TRP A 29 -1.304 0.593 -1.767 1.00 0.00 C ATOM 447 CD1 TRP A 29 -1.687 -0.239 -2.780 1.00 0.00 C ATOM 448 CD2 TRP A 29 -2.509 1.087 -1.174 1.00 0.00 C ATOM 449 NE1 TRP A 29 -3.058 -0.293 -2.852 1.00 0.00 N ATOM 450 CE2 TRP A 29 -3.586 0.511 -1.876 1.00 0.00 C ATOM 451 CE3 TRP A 29 -2.784 1.958 -0.116 1.00 0.00 C ATOM 452 CZ2 TRP A 29 -4.913 0.781 -1.555 1.00 0.00 C ATOM 453 CZ3 TRP A 29 -4.102 2.224 0.202 1.00 0.00 C ATOM 454 CH2 TRP A 29 -5.154 1.637 -0.515 1.00 0.00 C ATOM 0 H TRP A 29 1.555 -0.810 -2.343 1.00 0.00 H new ATOM 0 HA TRP A 29 0.432 1.582 -3.378 1.00 0.00 H new ATOM 0 HB2 TRP A 29 0.507 0.099 -0.778 1.00 0.00 H new ATOM 0 HB3 TRP A 29 0.082 1.797 -0.704 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -1.011 -0.776 -3.429 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -3.595 -0.842 -3.523 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -1.981 2.415 0.443 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -5.724 0.331 -2.108 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -4.326 2.896 1.017 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -6.174 1.865 -0.241 1.00 0.00 H new ATOM 465 N ARG A 30 1.687 3.537 -2.384 1.00 0.00 N ATOM 466 CA ARG A 30 2.572 4.650 -2.065 1.00 0.00 C ATOM 467 C ARG A 30 1.796 5.797 -1.425 1.00 0.00 C ATOM 468 O ARG A 30 0.818 6.290 -1.989 1.00 0.00 O ATOM 469 CB ARG A 30 3.282 5.143 -3.328 1.00 0.00 C ATOM 470 CG ARG A 30 4.590 4.423 -3.611 1.00 0.00 C ATOM 471 CD ARG A 30 5.533 5.285 -4.436 1.00 0.00 C ATOM 472 NE ARG A 30 6.825 4.637 -4.646 1.00 0.00 N ATOM 473 CZ ARG A 30 7.631 4.918 -5.664 1.00 0.00 C ATOM 474 NH1 ARG A 30 7.281 5.831 -6.558 1.00 0.00 N ATOM 475 NH2 ARG A 30 8.791 4.285 -5.787 1.00 0.00 N ATOM 0 H ARG A 30 0.790 3.813 -2.783 1.00 0.00 H new ATOM 0 HA ARG A 30 3.316 4.296 -1.352 1.00 0.00 H new ATOM 0 HB2 ARG A 30 2.616 5.018 -4.182 1.00 0.00 H new ATOM 0 HB3 ARG A 30 3.478 6.211 -3.231 1.00 0.00 H new ATOM 0 HG2 ARG A 30 5.070 4.155 -2.670 1.00 0.00 H new ATOM 0 HG3 ARG A 30 4.387 3.493 -4.142 1.00 0.00 H new ATOM 0 HD2 ARG A 30 5.075 5.502 -5.401 1.00 0.00 H new ATOM 0 HD3 ARG A 30 5.684 6.240 -3.933 1.00 0.00 H new ATOM 0 HE ARG A 30 7.125 3.930 -3.974 1.00 0.00 H new ATOM 0 HH11 ARG A 30 6.391 6.320 -6.466 1.00 0.00 H new ATOM 0 HH12 ARG A 30 7.902 6.045 -7.339 1.00 0.00 H new ATOM 0 HH21 ARG A 30 9.064 3.582 -5.100 1.00 0.00 H new ATOM 0 HH22 ARG A 30 9.409 4.501 -6.569 1.00 0.00 H new ATOM 489 N LEU A 31 2.237 6.217 -0.245 1.00 0.00 N ATOM 490 CA LEU A 31 1.583 7.306 0.473 1.00 0.00 C ATOM 491 C LEU A 31 2.478 8.540 0.523 1.00 0.00 C ATOM 492 O LEU A 31 3.703 8.430 0.573 1.00 0.00 O ATOM 493 CB LEU A 31 1.225 6.865 1.893 1.00 0.00 C ATOM 494 CG LEU A 31 0.949 7.986 2.895 1.00 0.00 C ATOM 495 CD1 LEU A 31 -0.351 8.699 2.554 1.00 0.00 C ATOM 496 CD2 LEU A 31 0.900 7.435 4.313 1.00 0.00 C ATOM 0 H LEU A 31 3.045 5.820 0.235 1.00 0.00 H new ATOM 0 HA LEU A 31 0.669 7.563 -0.062 1.00 0.00 H new ATOM 0 HB2 LEU A 31 0.344 6.226 1.842 1.00 0.00 H new ATOM 0 HB3 LEU A 31 2.041 6.253 2.278 1.00 0.00 H new ATOM 0 HG LEU A 31 1.763 8.708 2.835 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -0.531 9.494 3.278 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -0.279 9.128 1.555 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -1.176 7.987 2.585 1.00 0.00 H new ATOM 0 HD21 LEU A 31 0.703 8.247 5.012 1.00 0.00 H new ATOM 0 HD22 LEU A 31 0.106 6.691 4.387 1.00 0.00 H new ATOM 0 HD23 LEU A 31 1.856 6.971 4.556 1.00 0.00 H new ATOM 508 N ASP A 32 1.858 9.715 0.510 1.00 0.00 N ATOM 509 CA ASP A 32 2.597 10.971 0.557 1.00 0.00 C ATOM 510 C ASP A 32 1.915 11.969 1.487 1.00 0.00 C ATOM 511 O ASP A 32 0.964 11.627 2.191 1.00 0.00 O ATOM 512 CB ASP A 32 2.723 11.566 -0.847 1.00 0.00 C ATOM 513 CG ASP A 32 3.901 12.512 -0.971 1.00 0.00 C ATOM 514 OD1 ASP A 32 5.053 12.030 -0.957 1.00 0.00 O ATOM 515 OD2 ASP A 32 3.671 13.735 -1.081 1.00 0.00 O ATOM 0 H ASP A 32 0.845 9.824 0.467 1.00 0.00 H new ATOM 0 HA ASP A 32 3.594 10.763 0.946 1.00 0.00 H new ATOM 0 HB2 ASP A 32 2.831 10.759 -1.572 1.00 0.00 H new ATOM 0 HB3 ASP A 32 1.805 12.098 -1.097 1.00 0.00 H new ATOM 520 N CYS A 33 2.408 13.203 1.486 1.00 0.00 N ATOM 521 CA CYS A 33 1.847 14.251 2.331 1.00 0.00 C ATOM 522 C CYS A 33 0.694 14.959 1.627 1.00 0.00 C ATOM 523 O CYS A 33 0.237 16.014 2.067 1.00 0.00 O ATOM 524 CB CYS A 33 2.929 15.264 2.708 1.00 0.00 C ATOM 525 SG CYS A 33 3.898 14.801 4.163 1.00 0.00 S ATOM 0 H CYS A 33 3.195 13.502 0.910 1.00 0.00 H new ATOM 0 HA CYS A 33 1.463 13.785 3.238 1.00 0.00 H new ATOM 0 HB2 CYS A 33 3.603 15.392 1.861 1.00 0.00 H new ATOM 0 HB3 CYS A 33 2.459 16.231 2.890 1.00 0.00 H new ATOM 0 HG CYS A 33 4.788 15.718 4.401 1.00 0.00 H new ATOM 531 N LYS A 34 0.229 14.372 0.529 1.00 0.00 N ATOM 532 CA LYS A 34 -0.871 14.946 -0.238 1.00 0.00 C ATOM 533 C LYS A 34 -1.898 13.877 -0.598 1.00 0.00 C ATOM 534 O LYS A 34 -3.097 14.055 -0.377 1.00 0.00 O ATOM 535 CB LYS A 34 -0.341 15.608 -1.511 1.00 0.00 C ATOM 536 CG LYS A 34 0.717 16.667 -1.251 1.00 0.00 C ATOM 537 CD LYS A 34 0.950 17.536 -2.475 1.00 0.00 C ATOM 538 CE LYS A 34 1.676 16.771 -3.572 1.00 0.00 C ATOM 539 NZ LYS A 34 2.088 17.663 -4.690 1.00 0.00 N ATOM 0 H LYS A 34 0.597 13.499 0.150 1.00 0.00 H new ATOM 0 HA LYS A 34 -1.358 15.700 0.380 1.00 0.00 H new ATOM 0 HB2 LYS A 34 0.077 14.841 -2.162 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -1.174 16.062 -2.048 1.00 0.00 H new ATOM 0 HG2 LYS A 34 0.409 17.292 -0.413 1.00 0.00 H new ATOM 0 HG3 LYS A 34 1.651 16.186 -0.962 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -0.006 17.897 -2.854 1.00 0.00 H new ATOM 0 HD3 LYS A 34 1.533 18.413 -2.194 1.00 0.00 H new ATOM 0 HE2 LYS A 34 2.556 16.283 -3.153 1.00 0.00 H new ATOM 0 HE3 LYS A 34 1.028 15.983 -3.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 2.579 17.104 -5.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 1.246 18.109 -5.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 2.727 18.400 -4.329 1.00 0.00 H new ATOM 553 N CYS A 35 -1.422 12.768 -1.153 1.00 0.00 N ATOM 554 CA CYS A 35 -2.299 11.670 -1.543 1.00 0.00 C ATOM 555 C CYS A 35 -1.550 10.342 -1.524 1.00 0.00 C ATOM 556 O CYS A 35 -0.343 10.302 -1.283 1.00 0.00 O ATOM 557 CB CYS A 35 -2.879 11.923 -2.935 1.00 0.00 C ATOM 558 SG CYS A 35 -3.613 13.563 -3.143 1.00 0.00 S ATOM 0 H CYS A 35 -0.433 12.605 -1.343 1.00 0.00 H new ATOM 0 HA CYS A 35 -3.115 11.616 -0.822 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -2.089 11.794 -3.675 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -3.637 11.168 -3.143 1.00 0.00 H new ATOM 0 HG CYS A 35 -3.856 14.081 -1.976 1.00 0.00 H new ATOM 564 N ILE A 36 -2.273 9.257 -1.779 1.00 0.00 N ATOM 565 CA ILE A 36 -1.676 7.927 -1.791 1.00 0.00 C ATOM 566 C ILE A 36 -1.666 7.342 -3.199 1.00 0.00 C ATOM 567 O ILE A 36 -2.683 6.843 -3.684 1.00 0.00 O ATOM 568 CB ILE A 36 -2.428 6.965 -0.853 1.00 0.00 C ATOM 569 CG1 ILE A 36 -2.381 7.481 0.587 1.00 0.00 C ATOM 570 CG2 ILE A 36 -1.832 5.568 -0.939 1.00 0.00 C ATOM 571 CD1 ILE A 36 -3.534 6.999 1.440 1.00 0.00 C ATOM 0 H ILE A 36 -3.273 9.273 -1.980 1.00 0.00 H new ATOM 0 HA ILE A 36 -0.650 8.038 -1.439 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.470 6.915 -1.168 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -1.444 7.167 1.046 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -2.380 8.571 0.574 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -2.374 4.899 -0.270 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -1.912 5.201 -1.962 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -0.783 5.601 -0.646 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -3.435 7.404 2.447 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -4.475 7.336 1.004 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -3.524 5.910 1.484 1.00 0.00 H new ATOM 583 N THR A 37 -0.510 7.403 -3.852 1.00 0.00 N ATOM 584 CA THR A 37 -0.366 6.879 -5.204 1.00 0.00 C ATOM 585 C THR A 37 -0.297 5.356 -5.199 1.00 0.00 C ATOM 586 O THR A 37 0.263 4.753 -4.282 1.00 0.00 O ATOM 587 CB THR A 37 0.894 7.437 -5.892 1.00 0.00 C ATOM 588 OG1 THR A 37 1.053 8.824 -5.574 1.00 0.00 O ATOM 589 CG2 THR A 37 0.809 7.264 -7.401 1.00 0.00 C ATOM 0 H THR A 37 0.341 7.811 -3.465 1.00 0.00 H new ATOM 0 HA THR A 37 -1.246 7.198 -5.762 1.00 0.00 H new ATOM 0 HB THR A 37 1.757 6.880 -5.527 1.00 0.00 H new ATOM 0 HG1 THR A 37 0.415 9.354 -6.096 1.00 0.00 H new ATOM 0 HG21 THR A 37 1.710 7.666 -7.865 1.00 0.00 H new ATOM 0 HG22 THR A 37 0.719 6.205 -7.641 1.00 0.00 H new ATOM 0 HG23 THR A 37 -0.063 7.798 -7.780 1.00 0.00 H new ATOM 597 N LEU A 38 -0.868 4.740 -6.227 1.00 0.00 N ATOM 598 CA LEU A 38 -0.871 3.285 -6.342 1.00 0.00 C ATOM 599 C LEU A 38 -0.092 2.835 -7.574 1.00 0.00 C ATOM 600 O LEU A 38 -0.347 3.298 -8.686 1.00 0.00 O ATOM 601 CB LEU A 38 -2.307 2.762 -6.412 1.00 0.00 C ATOM 602 CG LEU A 38 -2.969 2.438 -5.073 1.00 0.00 C ATOM 603 CD1 LEU A 38 -3.403 3.715 -4.369 1.00 0.00 C ATOM 604 CD2 LEU A 38 -4.157 1.509 -5.276 1.00 0.00 C ATOM 0 H LEU A 38 -1.335 5.224 -6.993 1.00 0.00 H new ATOM 0 HA LEU A 38 -0.385 2.874 -5.457 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -2.918 3.504 -6.927 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -2.315 1.861 -7.026 1.00 0.00 H new ATOM 0 HG LEU A 38 -2.239 1.930 -4.443 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -3.872 3.465 -3.418 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -2.532 4.345 -4.189 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -4.116 4.251 -4.995 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -4.616 1.289 -4.312 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -4.889 1.990 -5.925 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -3.819 0.581 -5.737 1.00 0.00 H new ATOM 616 N PHE A 39 0.856 1.927 -7.368 1.00 0.00 N ATOM 617 CA PHE A 39 1.672 1.413 -8.462 1.00 0.00 C ATOM 618 C PHE A 39 1.411 -0.075 -8.682 1.00 0.00 C ATOM 619 O PHE A 39 1.867 -0.916 -7.907 1.00 0.00 O ATOM 620 CB PHE A 39 3.156 1.645 -8.173 1.00 0.00 C ATOM 621 CG PHE A 39 3.553 3.093 -8.203 1.00 0.00 C ATOM 622 CD1 PHE A 39 3.209 3.941 -7.162 1.00 0.00 C ATOM 623 CD2 PHE A 39 4.270 3.606 -9.271 1.00 0.00 C ATOM 624 CE1 PHE A 39 3.574 5.274 -7.186 1.00 0.00 C ATOM 625 CE2 PHE A 39 4.638 4.938 -9.301 1.00 0.00 C ATOM 626 CZ PHE A 39 4.288 5.773 -8.257 1.00 0.00 C ATOM 0 H PHE A 39 1.078 1.532 -6.454 1.00 0.00 H new ATOM 0 HA PHE A 39 1.398 1.950 -9.370 1.00 0.00 H new ATOM 0 HB2 PHE A 39 3.396 1.231 -7.194 1.00 0.00 H new ATOM 0 HB3 PHE A 39 3.750 1.098 -8.905 1.00 0.00 H new ATOM 0 HD1 PHE A 39 2.649 3.556 -6.322 1.00 0.00 H new ATOM 0 HD2 PHE A 39 4.545 2.958 -10.090 1.00 0.00 H new ATOM 0 HE1 PHE A 39 3.301 5.924 -6.368 1.00 0.00 H new ATOM 0 HE2 PHE A 39 5.198 5.326 -10.139 1.00 0.00 H new ATOM 0 HZ PHE A 39 4.573 6.815 -8.279 1.00 0.00 H new ATOM 636 N GLN A 40 0.675 -0.390 -9.742 1.00 0.00 N ATOM 637 CA GLN A 40 0.352 -1.776 -10.063 1.00 0.00 C ATOM 638 C GLN A 40 1.492 -2.707 -9.663 1.00 0.00 C ATOM 639 O GLN A 40 1.268 -3.755 -9.061 1.00 0.00 O ATOM 640 CB GLN A 40 0.060 -1.921 -11.558 1.00 0.00 C ATOM 641 CG GLN A 40 1.064 -1.204 -12.446 1.00 0.00 C ATOM 642 CD GLN A 40 0.677 -1.241 -13.912 1.00 0.00 C ATOM 643 OE1 GLN A 40 0.328 -0.218 -14.500 1.00 0.00 O ATOM 644 NE2 GLN A 40 0.738 -2.425 -14.510 1.00 0.00 N ATOM 0 H GLN A 40 0.291 0.295 -10.393 1.00 0.00 H new ATOM 0 HA GLN A 40 -0.537 -2.056 -9.498 1.00 0.00 H new ATOM 0 HB2 GLN A 40 0.050 -2.980 -11.817 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -0.937 -1.533 -11.764 1.00 0.00 H new ATOM 0 HG2 GLN A 40 1.153 -0.167 -12.124 1.00 0.00 H new ATOM 0 HG3 GLN A 40 2.045 -1.662 -12.321 1.00 0.00 H new ATOM 0 HE21 GLN A 40 1.033 -3.248 -13.984 1.00 0.00 H new ATOM 0 HE22 GLN A 40 0.490 -2.512 -15.496 1.00 0.00 H new ATOM 653 N ASN A 41 2.716 -2.315 -10.004 1.00 0.00 N ATOM 654 CA ASN A 41 3.892 -3.116 -9.681 1.00 0.00 C ATOM 655 C ASN A 41 5.040 -2.230 -9.207 1.00 0.00 C ATOM 656 O ASN A 41 4.881 -1.019 -9.056 1.00 0.00 O ATOM 657 CB ASN A 41 4.331 -3.930 -10.900 1.00 0.00 C ATOM 658 CG ASN A 41 3.153 -4.461 -11.695 1.00 0.00 C ATOM 659 OD1 ASN A 41 3.140 -4.396 -12.924 1.00 0.00 O ATOM 660 ND2 ASN A 41 2.157 -4.990 -10.994 1.00 0.00 N ATOM 0 H ASN A 41 2.919 -1.449 -10.503 1.00 0.00 H new ATOM 0 HA ASN A 41 3.626 -3.798 -8.874 1.00 0.00 H new ATOM 0 HB2 ASN A 41 4.950 -3.307 -11.545 1.00 0.00 H new ATOM 0 HB3 ASN A 41 4.951 -4.765 -10.572 1.00 0.00 H new ATOM 0 HD21 ASN A 41 1.338 -5.364 -11.474 1.00 0.00 H new ATOM 0 HD22 ASN A 41 2.211 -5.023 -9.976 1.00 0.00 H new ATOM 667 N ASN A 42 6.196 -2.842 -8.976 1.00 0.00 N ATOM 668 CA ASN A 42 7.372 -2.109 -8.519 1.00 0.00 C ATOM 669 C ASN A 42 8.241 -1.686 -9.699 1.00 0.00 C ATOM 670 O ASN A 42 9.144 -0.862 -9.555 1.00 0.00 O ATOM 671 CB ASN A 42 8.189 -2.967 -7.550 1.00 0.00 C ATOM 672 CG ASN A 42 9.227 -3.812 -8.262 1.00 0.00 C ATOM 673 OD1 ASN A 42 8.904 -4.838 -8.862 1.00 0.00 O ATOM 674 ND2 ASN A 42 10.483 -3.385 -8.198 1.00 0.00 N ATOM 0 H ASN A 42 6.345 -3.844 -9.098 1.00 0.00 H new ATOM 0 HA ASN A 42 7.032 -1.212 -8.001 1.00 0.00 H new ATOM 0 HB2 ASN A 42 8.685 -2.321 -6.826 1.00 0.00 H new ATOM 0 HB3 ASN A 42 7.517 -3.617 -6.989 1.00 0.00 H new ATOM 0 HD21 ASN A 42 11.225 -3.913 -8.657 1.00 0.00 H new ATOM 0 HD22 ASN A 42 10.705 -2.529 -7.690 1.00 0.00 H new ATOM 681 N THR A 43 7.962 -2.257 -10.867 1.00 0.00 N ATOM 682 CA THR A 43 8.718 -1.940 -12.072 1.00 0.00 C ATOM 683 C THR A 43 7.809 -1.385 -13.162 1.00 0.00 C ATOM 684 O THR A 43 8.275 -0.774 -14.124 1.00 0.00 O ATOM 685 CB THR A 43 9.455 -3.179 -12.615 1.00 0.00 C ATOM 686 OG1 THR A 43 8.552 -4.287 -12.699 1.00 0.00 O ATOM 687 CG2 THR A 43 10.632 -3.543 -11.724 1.00 0.00 C ATOM 0 H THR A 43 7.218 -2.941 -11.004 1.00 0.00 H new ATOM 0 HA THR A 43 9.451 -1.183 -11.795 1.00 0.00 H new ATOM 0 HB THR A 43 9.834 -2.943 -13.609 1.00 0.00 H new ATOM 0 HG1 THR A 43 9.027 -5.071 -13.047 1.00 0.00 H new ATOM 0 HG21 THR A 43 11.136 -4.421 -12.128 1.00 0.00 H new ATOM 0 HG22 THR A 43 11.331 -2.708 -11.686 1.00 0.00 H new ATOM 0 HG23 THR A 43 10.273 -3.762 -10.718 1.00 0.00 H new ATOM 695 N THR A 44 6.506 -1.600 -13.006 1.00 0.00 N ATOM 696 CA THR A 44 5.530 -1.122 -13.977 1.00 0.00 C ATOM 697 C THR A 44 5.908 0.259 -14.501 1.00 0.00 C ATOM 698 O THR A 44 6.364 1.117 -13.746 1.00 0.00 O ATOM 699 CB THR A 44 4.117 -1.058 -13.368 1.00 0.00 C ATOM 700 OG1 THR A 44 3.177 -0.621 -14.357 1.00 0.00 O ATOM 701 CG2 THR A 44 4.082 -0.114 -12.176 1.00 0.00 C ATOM 0 H THR A 44 6.102 -2.103 -12.215 1.00 0.00 H new ATOM 0 HA THR A 44 5.530 -1.834 -14.802 1.00 0.00 H new ATOM 0 HB THR A 44 3.847 -2.057 -13.027 1.00 0.00 H new ATOM 0 HG1 THR A 44 2.924 0.309 -14.180 1.00 0.00 H new ATOM 0 HG21 THR A 44 3.073 -0.086 -11.764 1.00 0.00 H new ATOM 0 HG22 THR A 44 4.777 -0.466 -11.413 1.00 0.00 H new ATOM 0 HG23 THR A 44 4.371 0.887 -12.496 1.00 0.00 H new ATOM 709 N ASN A 45 5.714 0.467 -15.800 1.00 0.00 N ATOM 710 CA ASN A 45 6.035 1.745 -16.425 1.00 0.00 C ATOM 711 C ASN A 45 5.386 2.899 -15.668 1.00 0.00 C ATOM 712 O ASN A 45 6.073 3.728 -15.071 1.00 0.00 O ATOM 713 CB ASN A 45 5.573 1.753 -17.884 1.00 0.00 C ATOM 714 CG ASN A 45 4.186 1.162 -18.054 1.00 0.00 C ATOM 715 OD1 ASN A 45 3.967 -0.021 -17.790 1.00 0.00 O ATOM 716 ND2 ASN A 45 3.243 1.985 -18.497 1.00 0.00 N ATOM 0 H ASN A 45 5.336 -0.232 -16.439 1.00 0.00 H new ATOM 0 HA ASN A 45 7.117 1.876 -16.393 1.00 0.00 H new ATOM 0 HB2 ASN A 45 5.577 2.777 -18.258 1.00 0.00 H new ATOM 0 HB3 ASN A 45 6.282 1.189 -18.490 1.00 0.00 H new ATOM 0 HD21 ASN A 45 2.291 1.645 -18.631 1.00 0.00 H new ATOM 0 HD22 ASN A 45 3.471 2.958 -18.703 1.00 0.00 H new ATOM 723 N ARG A 46 4.058 2.946 -15.696 1.00 0.00 N ATOM 724 CA ARG A 46 3.316 3.998 -15.013 1.00 0.00 C ATOM 725 C ARG A 46 2.600 3.448 -13.783 1.00 0.00 C ATOM 726 O ARG A 46 2.748 2.275 -13.439 1.00 0.00 O ATOM 727 CB ARG A 46 2.301 4.636 -15.964 1.00 0.00 C ATOM 728 CG ARG A 46 1.100 3.751 -16.256 1.00 0.00 C ATOM 729 CD ARG A 46 -0.141 4.578 -16.554 1.00 0.00 C ATOM 730 NE ARG A 46 -0.215 4.967 -17.959 1.00 0.00 N ATOM 731 CZ ARG A 46 -1.350 5.266 -18.581 1.00 0.00 C ATOM 732 NH1 ARG A 46 -2.501 5.220 -17.924 1.00 0.00 N ATOM 733 NH2 ARG A 46 -1.335 5.612 -19.862 1.00 0.00 N ATOM 0 H ARG A 46 3.474 2.267 -16.185 1.00 0.00 H new ATOM 0 HA ARG A 46 4.028 4.757 -14.689 1.00 0.00 H new ATOM 0 HB2 ARG A 46 1.953 5.575 -15.534 1.00 0.00 H new ATOM 0 HB3 ARG A 46 2.799 4.880 -16.903 1.00 0.00 H new ATOM 0 HG2 ARG A 46 1.321 3.105 -17.106 1.00 0.00 H new ATOM 0 HG3 ARG A 46 0.909 3.101 -15.402 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -1.030 4.006 -16.289 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -0.139 5.472 -15.930 1.00 0.00 H new ATOM 0 HE ARG A 46 0.653 5.012 -18.493 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -2.516 4.955 -16.939 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -3.371 5.450 -18.403 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -0.451 5.649 -20.370 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -2.207 5.841 -20.339 1.00 0.00 H new ATOM 747 N TYR A 47 1.824 4.303 -13.125 1.00 0.00 N ATOM 748 CA TYR A 47 1.088 3.903 -11.932 1.00 0.00 C ATOM 749 C TYR A 47 -0.262 3.296 -12.302 1.00 0.00 C ATOM 750 O TYR A 47 -0.685 3.353 -13.457 1.00 0.00 O ATOM 751 CB TYR A 47 0.882 5.105 -11.008 1.00 0.00 C ATOM 752 CG TYR A 47 -0.171 6.073 -11.498 1.00 0.00 C ATOM 753 CD1 TYR A 47 0.098 6.955 -12.538 1.00 0.00 C ATOM 754 CD2 TYR A 47 -1.435 6.106 -10.921 1.00 0.00 C ATOM 755 CE1 TYR A 47 -0.861 7.841 -12.988 1.00 0.00 C ATOM 756 CE2 TYR A 47 -2.400 6.988 -11.367 1.00 0.00 C ATOM 757 CZ TYR A 47 -2.108 7.853 -12.400 1.00 0.00 C ATOM 758 OH TYR A 47 -3.067 8.734 -12.846 1.00 0.00 O ATOM 0 H TYR A 47 1.689 5.277 -13.398 1.00 0.00 H new ATOM 0 HA TYR A 47 1.675 3.147 -11.410 1.00 0.00 H new ATOM 0 HB2 TYR A 47 0.601 4.747 -10.017 1.00 0.00 H new ATOM 0 HB3 TYR A 47 1.828 5.635 -10.899 1.00 0.00 H new ATOM 0 HD1 TYR A 47 1.073 6.947 -13.002 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -1.667 5.431 -10.110 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -0.635 8.521 -13.796 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -3.378 7.000 -10.909 1.00 0.00 H new ATOM 0 HH TYR A 47 -3.889 8.613 -12.327 1.00 0.00 H new ATOM 768 N TYR A 48 -0.933 2.715 -11.314 1.00 0.00 N ATOM 769 CA TYR A 48 -2.234 2.095 -11.534 1.00 0.00 C ATOM 770 C TYR A 48 -3.363 3.075 -11.232 1.00 0.00 C ATOM 771 O TYR A 48 -4.245 3.300 -12.061 1.00 0.00 O ATOM 772 CB TYR A 48 -2.381 0.846 -10.664 1.00 0.00 C ATOM 773 CG TYR A 48 -3.690 0.117 -10.866 1.00 0.00 C ATOM 774 CD1 TYR A 48 -4.810 0.435 -10.108 1.00 0.00 C ATOM 775 CD2 TYR A 48 -3.807 -0.889 -11.818 1.00 0.00 C ATOM 776 CE1 TYR A 48 -6.007 -0.229 -10.290 1.00 0.00 C ATOM 777 CE2 TYR A 48 -5.001 -1.558 -12.007 1.00 0.00 C ATOM 778 CZ TYR A 48 -6.098 -1.224 -11.241 1.00 0.00 C ATOM 779 OH TYR A 48 -7.290 -1.887 -11.426 1.00 0.00 O ATOM 0 H TYR A 48 -0.597 2.660 -10.352 1.00 0.00 H new ATOM 0 HA TYR A 48 -2.298 1.808 -12.584 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -1.558 0.164 -10.880 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -2.292 1.131 -9.616 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -4.743 1.215 -9.364 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -2.950 -1.152 -12.420 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -6.868 0.029 -9.691 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -5.075 -2.338 -12.750 1.00 0.00 H new ATOM 0 HH TYR A 48 -7.185 -2.557 -12.134 1.00 0.00 H new ATOM 789 N LYS A 49 -3.328 3.657 -10.038 1.00 0.00 N ATOM 790 CA LYS A 49 -4.346 4.616 -9.624 1.00 0.00 C ATOM 791 C LYS A 49 -3.813 5.536 -8.531 1.00 0.00 C ATOM 792 O LYS A 49 -2.688 5.370 -8.060 1.00 0.00 O ATOM 793 CB LYS A 49 -5.593 3.883 -9.126 1.00 0.00 C ATOM 794 CG LYS A 49 -5.459 3.345 -7.712 1.00 0.00 C ATOM 795 CD LYS A 49 -6.807 3.259 -7.017 1.00 0.00 C ATOM 796 CE LYS A 49 -7.652 2.125 -7.578 1.00 0.00 C ATOM 797 NZ LYS A 49 -8.235 2.471 -8.903 1.00 0.00 N ATOM 0 H LYS A 49 -2.606 3.481 -9.340 1.00 0.00 H new ATOM 0 HA LYS A 49 -4.611 5.224 -10.489 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -6.444 4.562 -9.168 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -5.812 3.056 -9.801 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -5.000 2.357 -7.740 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -4.793 3.990 -7.138 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -6.657 3.108 -5.948 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -7.339 4.203 -7.134 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -7.039 1.229 -7.674 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -8.454 1.890 -6.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -9.205 2.101 -8.963 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -8.251 3.505 -9.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -7.657 2.049 -9.658 1.00 0.00 H new ATOM 811 N GLU A 50 -4.630 6.506 -8.130 1.00 0.00 N ATOM 812 CA GLU A 50 -4.239 7.452 -7.091 1.00 0.00 C ATOM 813 C GLU A 50 -5.395 7.711 -6.129 1.00 0.00 C ATOM 814 O GLU A 50 -6.502 8.051 -6.550 1.00 0.00 O ATOM 815 CB GLU A 50 -3.777 8.769 -7.717 1.00 0.00 C ATOM 816 CG GLU A 50 -3.047 9.681 -6.745 1.00 0.00 C ATOM 817 CD GLU A 50 -2.142 10.676 -7.446 1.00 0.00 C ATOM 818 OE1 GLU A 50 -2.661 11.513 -8.214 1.00 0.00 O ATOM 819 OE2 GLU A 50 -0.914 10.617 -7.227 1.00 0.00 O ATOM 0 H GLU A 50 -5.565 6.657 -8.508 1.00 0.00 H new ATOM 0 HA GLU A 50 -3.413 7.016 -6.530 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -3.121 8.551 -8.560 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -4.644 9.296 -8.116 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -3.777 10.221 -6.142 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -2.453 9.075 -6.060 1.00 0.00 H new ATOM 826 N ILE A 51 -5.131 7.548 -4.837 1.00 0.00 N ATOM 827 CA ILE A 51 -6.148 7.765 -3.816 1.00 0.00 C ATOM 828 C ILE A 51 -5.939 9.099 -3.107 1.00 0.00 C ATOM 829 O ILE A 51 -5.170 9.208 -2.152 1.00 0.00 O ATOM 830 CB ILE A 51 -6.146 6.634 -2.771 1.00 0.00 C ATOM 831 CG1 ILE A 51 -6.509 5.301 -3.428 1.00 0.00 C ATOM 832 CG2 ILE A 51 -7.114 6.955 -1.642 1.00 0.00 C ATOM 833 CD1 ILE A 51 -6.422 4.120 -2.488 1.00 0.00 C ATOM 0 H ILE A 51 -4.221 7.266 -4.473 1.00 0.00 H new ATOM 0 HA ILE A 51 -7.111 7.775 -4.326 1.00 0.00 H new ATOM 0 HB ILE A 51 -5.144 6.549 -2.352 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -7.522 5.365 -3.825 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -5.845 5.130 -4.275 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -7.102 6.146 -0.911 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -6.814 7.885 -1.159 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -8.121 7.064 -2.046 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -6.693 3.209 -3.022 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -5.404 4.030 -2.110 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -7.107 4.268 -1.653 1.00 0.00 H new ATOM 845 N PRO A 52 -6.641 10.138 -3.583 1.00 0.00 N ATOM 846 CA PRO A 52 -6.551 11.483 -3.007 1.00 0.00 C ATOM 847 C PRO A 52 -7.183 11.565 -1.622 1.00 0.00 C ATOM 848 O PRO A 52 -8.368 11.272 -1.451 1.00 0.00 O ATOM 849 CB PRO A 52 -7.330 12.347 -4.002 1.00 0.00 C ATOM 850 CG PRO A 52 -8.281 11.406 -4.657 1.00 0.00 C ATOM 851 CD PRO A 52 -7.576 10.080 -4.719 1.00 0.00 C ATOM 0 HA PRO A 52 -5.517 11.797 -2.866 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -7.858 13.155 -3.496 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -6.664 12.809 -4.731 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -9.208 11.329 -4.088 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -8.548 11.753 -5.655 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -8.274 9.249 -4.623 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -7.051 9.948 -5.665 1.00 0.00 H new ATOM 859 N LEU A 53 -6.388 11.965 -0.636 1.00 0.00 N ATOM 860 CA LEU A 53 -6.870 12.085 0.735 1.00 0.00 C ATOM 861 C LEU A 53 -8.195 12.841 0.782 1.00 0.00 C ATOM 862 O LEU A 53 -8.988 12.667 1.707 1.00 0.00 O ATOM 863 CB LEU A 53 -5.832 12.800 1.601 1.00 0.00 C ATOM 864 CG LEU A 53 -4.521 12.048 1.835 1.00 0.00 C ATOM 865 CD1 LEU A 53 -3.498 12.954 2.503 1.00 0.00 C ATOM 866 CD2 LEU A 53 -4.763 10.803 2.675 1.00 0.00 C ATOM 0 H LEU A 53 -5.406 12.212 -0.761 1.00 0.00 H new ATOM 0 HA LEU A 53 -7.031 11.081 1.126 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -5.600 13.759 1.138 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -6.282 13.015 2.570 1.00 0.00 H new ATOM 0 HG LEU A 53 -4.125 11.738 0.868 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -2.572 12.402 2.662 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -3.302 13.815 1.864 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -3.886 13.295 3.463 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -3.819 10.281 2.831 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -5.183 11.090 3.639 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -5.461 10.145 2.157 1.00 0.00 H new ATOM 878 N SER A 54 -8.428 13.678 -0.224 1.00 0.00 N ATOM 879 CA SER A 54 -9.656 14.461 -0.296 1.00 0.00 C ATOM 880 C SER A 54 -10.867 13.555 -0.497 1.00 0.00 C ATOM 881 O SER A 54 -11.920 13.768 0.104 1.00 0.00 O ATOM 882 CB SER A 54 -9.571 15.478 -1.437 1.00 0.00 C ATOM 883 OG SER A 54 -10.816 16.124 -1.638 1.00 0.00 O ATOM 0 H SER A 54 -7.783 13.831 -0.999 1.00 0.00 H new ATOM 0 HA SER A 54 -9.775 14.993 0.648 1.00 0.00 H new ATOM 0 HB2 SER A 54 -8.805 16.220 -1.211 1.00 0.00 H new ATOM 0 HB3 SER A 54 -9.266 14.975 -2.355 1.00 0.00 H new ATOM 0 HG SER A 54 -10.735 16.770 -2.371 1.00 0.00 H new ATOM 889 N GLU A 55 -10.708 12.545 -1.346 1.00 0.00 N ATOM 890 CA GLU A 55 -11.789 11.607 -1.627 1.00 0.00 C ATOM 891 C GLU A 55 -12.192 10.848 -0.366 1.00 0.00 C ATOM 892 O GLU A 55 -13.379 10.672 -0.088 1.00 0.00 O ATOM 893 CB GLU A 55 -11.367 10.619 -2.717 1.00 0.00 C ATOM 894 CG GLU A 55 -11.691 11.091 -4.124 1.00 0.00 C ATOM 895 CD GLU A 55 -11.344 12.550 -4.346 1.00 0.00 C ATOM 896 OE1 GLU A 55 -11.998 13.416 -3.730 1.00 0.00 O ATOM 897 OE2 GLU A 55 -10.416 12.825 -5.136 1.00 0.00 O ATOM 0 H GLU A 55 -9.842 12.355 -1.851 1.00 0.00 H new ATOM 0 HA GLU A 55 -12.649 12.178 -1.977 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -10.294 10.442 -2.640 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -11.861 9.663 -2.541 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -11.146 10.479 -4.843 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -12.753 10.941 -4.318 1.00 0.00 H new ATOM 904 N ILE A 56 -11.197 10.401 0.392 1.00 0.00 N ATOM 905 CA ILE A 56 -11.447 9.662 1.623 1.00 0.00 C ATOM 906 C ILE A 56 -12.413 10.417 2.531 1.00 0.00 C ATOM 907 O ILE A 56 -12.261 11.619 2.754 1.00 0.00 O ATOM 908 CB ILE A 56 -10.141 9.392 2.393 1.00 0.00 C ATOM 909 CG1 ILE A 56 -9.202 8.520 1.557 1.00 0.00 C ATOM 910 CG2 ILE A 56 -10.442 8.728 3.728 1.00 0.00 C ATOM 911 CD1 ILE A 56 -7.815 8.390 2.145 1.00 0.00 C ATOM 0 H ILE A 56 -10.210 10.538 0.175 1.00 0.00 H new ATOM 0 HA ILE A 56 -11.892 8.710 1.334 1.00 0.00 H new ATOM 0 HB ILE A 56 -9.646 10.344 2.586 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -9.638 7.527 1.453 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -9.125 8.941 0.554 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -9.509 8.543 4.261 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -11.077 9.382 4.325 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -10.955 7.782 3.556 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -7.204 7.758 1.500 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -7.359 9.377 2.224 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -7.881 7.941 3.136 1.00 0.00 H new ATOM 923 N LEU A 57 -13.404 9.704 3.054 1.00 0.00 N ATOM 924 CA LEU A 57 -14.394 10.306 3.940 1.00 0.00 C ATOM 925 C LEU A 57 -14.059 10.026 5.401 1.00 0.00 C ATOM 926 O LEU A 57 -14.128 10.918 6.248 1.00 0.00 O ATOM 927 CB LEU A 57 -15.791 9.773 3.614 1.00 0.00 C ATOM 928 CG LEU A 57 -16.218 9.861 2.149 1.00 0.00 C ATOM 929 CD1 LEU A 57 -17.531 9.127 1.930 1.00 0.00 C ATOM 930 CD2 LEU A 57 -16.340 11.315 1.716 1.00 0.00 C ATOM 0 H LEU A 57 -13.543 8.709 2.880 1.00 0.00 H new ATOM 0 HA LEU A 57 -14.378 11.384 3.783 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -15.841 8.729 3.924 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -16.516 10.320 4.216 1.00 0.00 H new ATOM 0 HG LEU A 57 -15.452 9.383 1.538 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -17.819 9.201 0.881 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -17.411 8.078 2.200 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -18.306 9.575 2.551 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -16.645 11.359 0.670 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -17.086 11.817 2.333 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -15.377 11.812 1.834 1.00 0.00 H new ATOM 942 N THR A 58 -13.692 8.781 5.691 1.00 0.00 N ATOM 943 CA THR A 58 -13.344 8.384 7.049 1.00 0.00 C ATOM 944 C THR A 58 -12.532 7.094 7.054 1.00 0.00 C ATOM 945 O THR A 58 -12.634 6.281 6.134 1.00 0.00 O ATOM 946 CB THR A 58 -14.602 8.188 7.917 1.00 0.00 C ATOM 947 OG1 THR A 58 -15.201 9.456 8.204 1.00 0.00 O ATOM 948 CG2 THR A 58 -14.257 7.478 9.217 1.00 0.00 C ATOM 0 H THR A 58 -13.628 8.031 5.003 1.00 0.00 H new ATOM 0 HA THR A 58 -12.743 9.190 7.469 1.00 0.00 H new ATOM 0 HB THR A 58 -15.308 7.571 7.361 1.00 0.00 H new ATOM 0 HG1 THR A 58 -14.676 10.168 7.783 1.00 0.00 H new ATOM 0 HG21 THR A 58 -15.161 7.351 9.813 1.00 0.00 H new ATOM 0 HG22 THR A 58 -13.828 6.501 8.995 1.00 0.00 H new ATOM 0 HG23 THR A 58 -13.535 8.073 9.776 1.00 0.00 H new ATOM 956 N VAL A 59 -11.726 6.911 8.094 1.00 0.00 N ATOM 957 CA VAL A 59 -10.897 5.718 8.219 1.00 0.00 C ATOM 958 C VAL A 59 -11.244 4.937 9.482 1.00 0.00 C ATOM 959 O VAL A 59 -11.207 5.477 10.587 1.00 0.00 O ATOM 960 CB VAL A 59 -9.399 6.075 8.245 1.00 0.00 C ATOM 961 CG1 VAL A 59 -8.557 4.831 8.482 1.00 0.00 C ATOM 962 CG2 VAL A 59 -8.994 6.765 6.952 1.00 0.00 C ATOM 0 H VAL A 59 -11.629 7.574 8.863 1.00 0.00 H new ATOM 0 HA VAL A 59 -11.100 5.099 7.345 1.00 0.00 H new ATOM 0 HB VAL A 59 -9.222 6.766 9.069 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -7.502 5.103 8.497 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -8.830 4.384 9.438 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -8.735 4.113 7.681 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -7.933 7.010 6.987 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -9.185 6.100 6.110 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -9.574 7.680 6.831 1.00 0.00 H new ATOM 972 N GLU A 60 -11.581 3.663 9.309 1.00 0.00 N ATOM 973 CA GLU A 60 -11.935 2.807 10.436 1.00 0.00 C ATOM 974 C GLU A 60 -11.147 1.501 10.397 1.00 0.00 C ATOM 975 O GLU A 60 -10.443 1.218 9.427 1.00 0.00 O ATOM 976 CB GLU A 60 -13.436 2.510 10.427 1.00 0.00 C ATOM 977 CG GLU A 60 -14.300 3.744 10.223 1.00 0.00 C ATOM 978 CD GLU A 60 -15.650 3.630 10.904 1.00 0.00 C ATOM 979 OE1 GLU A 60 -15.731 2.952 11.949 1.00 0.00 O ATOM 980 OE2 GLU A 60 -16.625 4.219 10.392 1.00 0.00 O ATOM 0 H GLU A 60 -11.616 3.201 8.400 1.00 0.00 H new ATOM 0 HA GLU A 60 -11.682 3.336 11.355 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -13.651 1.792 9.636 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -13.710 2.037 11.370 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -13.775 4.618 10.609 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -14.448 3.907 9.155 1.00 0.00 H new ATOM 987 N SER A 61 -11.270 0.711 11.458 1.00 0.00 N ATOM 988 CA SER A 61 -10.566 -0.563 11.548 1.00 0.00 C ATOM 989 C SER A 61 -11.467 -1.714 11.109 1.00 0.00 C ATOM 990 O SER A 61 -12.687 -1.652 11.257 1.00 0.00 O ATOM 991 CB SER A 61 -10.077 -0.800 12.978 1.00 0.00 C ATOM 992 OG SER A 61 -11.138 -0.669 13.908 1.00 0.00 O ATOM 0 H SER A 61 -11.850 0.930 12.268 1.00 0.00 H new ATOM 0 HA SER A 61 -9.706 -0.522 10.880 1.00 0.00 H new ATOM 0 HB2 SER A 61 -9.641 -1.796 13.056 1.00 0.00 H new ATOM 0 HB3 SER A 61 -9.288 -0.087 13.219 1.00 0.00 H new ATOM 0 HG SER A 61 -10.800 -0.827 14.814 1.00 0.00 H new ATOM 998 N ALA A 62 -10.856 -2.763 10.569 1.00 0.00 N ATOM 999 CA ALA A 62 -11.601 -3.929 10.110 1.00 0.00 C ATOM 1000 C ALA A 62 -12.623 -4.372 11.152 1.00 0.00 C ATOM 1001 O ALA A 62 -12.260 -4.858 12.222 1.00 0.00 O ATOM 1002 CB ALA A 62 -10.648 -5.070 9.785 1.00 0.00 C ATOM 0 H ALA A 62 -9.847 -2.829 10.439 1.00 0.00 H new ATOM 0 HA ALA A 62 -12.140 -3.651 9.204 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -11.218 -5.934 9.444 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -9.959 -4.757 9.000 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -10.083 -5.338 10.678 1.00 0.00 H new ATOM 1008 N GLN A 63 -13.901 -4.198 10.831 1.00 0.00 N ATOM 1009 CA GLN A 63 -14.975 -4.579 11.741 1.00 0.00 C ATOM 1010 C GLN A 63 -16.071 -5.339 11.001 1.00 0.00 C ATOM 1011 O GLN A 63 -16.757 -6.180 11.581 1.00 0.00 O ATOM 1012 CB GLN A 63 -15.564 -3.339 12.416 1.00 0.00 C ATOM 1013 CG GLN A 63 -15.602 -2.116 11.514 1.00 0.00 C ATOM 1014 CD GLN A 63 -16.893 -2.012 10.726 1.00 0.00 C ATOM 1015 OE1 GLN A 63 -17.669 -2.966 10.654 1.00 0.00 O ATOM 1016 NE2 GLN A 63 -17.131 -0.849 10.130 1.00 0.00 N ATOM 0 H GLN A 63 -14.218 -3.796 9.949 1.00 0.00 H new ATOM 0 HA GLN A 63 -14.555 -5.234 12.504 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -16.576 -3.564 12.751 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -14.978 -3.106 13.305 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -15.477 -1.218 12.120 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -14.760 -2.153 10.822 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -16.460 -0.085 10.216 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -17.984 -0.720 9.586 1.00 0.00 H new ATOM 1025 N ASN A 64 -16.230 -5.037 9.716 1.00 0.00 N ATOM 1026 CA ASN A 64 -17.244 -5.692 8.897 1.00 0.00 C ATOM 1027 C ASN A 64 -16.601 -6.635 7.885 1.00 0.00 C ATOM 1028 O ASN A 64 -15.791 -6.216 7.058 1.00 0.00 O ATOM 1029 CB ASN A 64 -18.094 -4.648 8.170 1.00 0.00 C ATOM 1030 CG ASN A 64 -19.015 -5.269 7.138 1.00 0.00 C ATOM 1031 OD1 ASN A 64 -20.094 -5.760 7.468 1.00 0.00 O ATOM 1032 ND2 ASN A 64 -18.591 -5.251 5.879 1.00 0.00 N ATOM 0 H ASN A 64 -15.670 -4.344 9.220 1.00 0.00 H new ATOM 0 HA ASN A 64 -17.885 -6.278 9.556 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -18.688 -4.096 8.898 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -17.439 -3.927 7.681 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -19.168 -5.655 5.141 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -17.689 -4.833 5.651 1.00 0.00 H new ATOM 1039 N PHE A 65 -16.967 -7.910 7.957 1.00 0.00 N ATOM 1040 CA PHE A 65 -16.425 -8.914 7.048 1.00 0.00 C ATOM 1041 C PHE A 65 -17.547 -9.674 6.347 1.00 0.00 C ATOM 1042 O PHE A 65 -17.442 -10.877 6.109 1.00 0.00 O ATOM 1043 CB PHE A 65 -15.530 -9.892 7.810 1.00 0.00 C ATOM 1044 CG PHE A 65 -14.545 -9.218 8.723 1.00 0.00 C ATOM 1045 CD1 PHE A 65 -13.323 -8.779 8.241 1.00 0.00 C ATOM 1046 CD2 PHE A 65 -14.842 -9.025 10.062 1.00 0.00 C ATOM 1047 CE1 PHE A 65 -12.415 -8.158 9.078 1.00 0.00 C ATOM 1048 CE2 PHE A 65 -13.938 -8.404 10.903 1.00 0.00 C ATOM 1049 CZ PHE A 65 -12.723 -7.971 10.411 1.00 0.00 C ATOM 0 H PHE A 65 -17.637 -8.273 8.635 1.00 0.00 H new ATOM 0 HA PHE A 65 -15.830 -8.401 6.293 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -16.157 -10.563 8.397 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -14.986 -10.508 7.094 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -13.077 -8.924 7.199 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -15.790 -9.363 10.453 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -11.466 -7.819 8.690 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -14.182 -8.258 11.945 1.00 0.00 H new ATOM 0 HZ PHE A 65 -12.015 -7.487 11.067 1.00 0.00 H new ATOM 1059 N SER A 66 -18.621 -8.962 6.019 1.00 0.00 N ATOM 1060 CA SER A 66 -19.765 -9.570 5.349 1.00 0.00 C ATOM 1061 C SER A 66 -19.589 -9.533 3.834 1.00 0.00 C ATOM 1062 O SER A 66 -20.564 -9.446 3.086 1.00 0.00 O ATOM 1063 CB SER A 66 -21.055 -8.848 5.742 1.00 0.00 C ATOM 1064 OG SER A 66 -21.596 -9.384 6.937 1.00 0.00 O ATOM 0 H SER A 66 -18.723 -7.964 6.206 1.00 0.00 H new ATOM 0 HA SER A 66 -19.829 -10.611 5.665 1.00 0.00 H new ATOM 0 HB2 SER A 66 -20.854 -7.785 5.875 1.00 0.00 H new ATOM 0 HB3 SER A 66 -21.785 -8.937 4.937 1.00 0.00 H new ATOM 0 HG SER A 66 -22.419 -8.904 7.168 1.00 0.00 H new ATOM 1070 N LEU A 67 -18.340 -9.599 3.388 1.00 0.00 N ATOM 1071 CA LEU A 67 -18.034 -9.574 1.961 1.00 0.00 C ATOM 1072 C LEU A 67 -17.185 -10.778 1.565 1.00 0.00 C ATOM 1073 O LEU A 67 -17.606 -11.609 0.760 1.00 0.00 O ATOM 1074 CB LEU A 67 -17.304 -8.279 1.599 1.00 0.00 C ATOM 1075 CG LEU A 67 -17.967 -6.982 2.065 1.00 0.00 C ATOM 1076 CD1 LEU A 67 -16.925 -5.896 2.278 1.00 0.00 C ATOM 1077 CD2 LEU A 67 -19.015 -6.528 1.058 1.00 0.00 C ATOM 0 H LEU A 67 -17.522 -9.670 3.993 1.00 0.00 H new ATOM 0 HA LEU A 67 -18.974 -9.620 1.412 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -16.300 -8.322 2.020 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -17.194 -8.238 0.515 1.00 0.00 H new ATOM 0 HG LEU A 67 -18.463 -7.172 3.017 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -17.416 -4.981 2.609 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -16.212 -6.220 3.036 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -16.399 -5.707 1.342 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -19.477 -5.604 1.405 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -18.541 -6.356 0.092 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -19.779 -7.299 0.955 1.00 0.00 H new ATOM 1089 N VAL A 68 -15.989 -10.866 2.137 1.00 0.00 N ATOM 1090 CA VAL A 68 -15.082 -11.969 1.846 1.00 0.00 C ATOM 1091 C VAL A 68 -15.411 -13.191 2.696 1.00 0.00 C ATOM 1092 O VAL A 68 -15.916 -13.082 3.814 1.00 0.00 O ATOM 1093 CB VAL A 68 -13.614 -11.569 2.089 1.00 0.00 C ATOM 1094 CG1 VAL A 68 -13.197 -10.461 1.134 1.00 0.00 C ATOM 1095 CG2 VAL A 68 -13.412 -11.142 3.535 1.00 0.00 C ATOM 0 H VAL A 68 -15.626 -10.186 2.805 1.00 0.00 H new ATOM 0 HA VAL A 68 -15.214 -12.216 0.793 1.00 0.00 H new ATOM 0 HB VAL A 68 -12.982 -12.437 1.898 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -12.157 -10.192 1.321 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -13.303 -10.808 0.106 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -13.831 -9.588 1.290 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -12.370 -10.863 3.690 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -14.053 -10.288 3.755 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -13.668 -11.969 4.198 1.00 0.00 H new ATOM 1105 N PRO A 69 -15.120 -14.384 2.157 1.00 0.00 N ATOM 1106 CA PRO A 69 -15.377 -15.650 2.850 1.00 0.00 C ATOM 1107 C PRO A 69 -14.451 -15.854 4.044 1.00 0.00 C ATOM 1108 O PRO A 69 -13.490 -15.113 4.250 1.00 0.00 O ATOM 1109 CB PRO A 69 -15.103 -16.704 1.775 1.00 0.00 C ATOM 1110 CG PRO A 69 -14.154 -16.047 0.833 1.00 0.00 C ATOM 1111 CD PRO A 69 -14.518 -14.588 0.829 1.00 0.00 C ATOM 0 HA PRO A 69 -16.386 -15.693 3.261 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -14.671 -17.607 2.207 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -16.021 -17.001 1.269 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -13.123 -16.191 1.155 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -14.239 -16.473 -0.167 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -13.642 -13.956 0.683 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -15.219 -14.351 0.029 1.00 0.00 H new ATOM 1119 N PRO A 70 -14.745 -16.884 4.852 1.00 0.00 N ATOM 1120 CA PRO A 70 -13.950 -17.210 6.040 1.00 0.00 C ATOM 1121 C PRO A 70 -12.573 -17.757 5.683 1.00 0.00 C ATOM 1122 O PRO A 70 -11.697 -17.869 6.540 1.00 0.00 O ATOM 1123 CB PRO A 70 -14.786 -18.284 6.742 1.00 0.00 C ATOM 1124 CG PRO A 70 -15.592 -18.907 5.655 1.00 0.00 C ATOM 1125 CD PRO A 70 -15.876 -17.809 4.668 1.00 0.00 C ATOM 0 HA PRO A 70 -13.756 -16.331 6.655 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -14.151 -19.020 7.236 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -15.426 -17.849 7.510 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -15.046 -19.724 5.183 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -16.518 -19.328 6.048 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -15.923 -18.188 3.647 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -16.830 -17.323 4.871 1.00 0.00 H new ATOM 1133 N GLY A 71 -12.386 -18.096 4.411 1.00 0.00 N ATOM 1134 CA GLY A 71 -11.112 -18.626 3.963 1.00 0.00 C ATOM 1135 C GLY A 71 -10.235 -17.567 3.325 1.00 0.00 C ATOM 1136 O GLY A 71 -9.044 -17.788 3.101 1.00 0.00 O ATOM 0 H GLY A 71 -13.095 -18.013 3.682 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -10.587 -19.066 4.811 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -11.288 -19.428 3.246 1.00 0.00 H new ATOM 1140 N THR A 72 -10.824 -16.413 3.029 1.00 0.00 N ATOM 1141 CA THR A 72 -10.090 -15.317 2.410 1.00 0.00 C ATOM 1142 C THR A 72 -9.589 -14.330 3.458 1.00 0.00 C ATOM 1143 O THR A 72 -10.378 -13.643 4.104 1.00 0.00 O ATOM 1144 CB THR A 72 -10.961 -14.564 1.387 1.00 0.00 C ATOM 1145 OG1 THR A 72 -11.024 -15.300 0.160 1.00 0.00 O ATOM 1146 CG2 THR A 72 -10.404 -13.173 1.121 1.00 0.00 C ATOM 0 H THR A 72 -11.808 -16.213 3.208 1.00 0.00 H new ATOM 0 HA THR A 72 -9.238 -15.759 1.894 1.00 0.00 H new ATOM 0 HB THR A 72 -11.964 -14.464 1.802 1.00 0.00 H new ATOM 0 HG1 THR A 72 -11.581 -14.815 -0.484 1.00 0.00 H new ATOM 0 HG21 THR A 72 -11.036 -12.661 0.395 1.00 0.00 H new ATOM 0 HG22 THR A 72 -10.385 -12.605 2.051 1.00 0.00 H new ATOM 0 HG23 THR A 72 -9.392 -13.256 0.726 1.00 0.00 H new ATOM 1154 N ASN A 73 -8.271 -14.264 3.620 1.00 0.00 N ATOM 1155 CA ASN A 73 -7.665 -13.360 4.590 1.00 0.00 C ATOM 1156 C ASN A 73 -8.471 -12.070 4.710 1.00 0.00 C ATOM 1157 O ASN A 73 -8.830 -11.439 3.715 1.00 0.00 O ATOM 1158 CB ASN A 73 -6.224 -13.039 4.188 1.00 0.00 C ATOM 1159 CG ASN A 73 -5.261 -14.153 4.549 1.00 0.00 C ATOM 1160 OD1 ASN A 73 -5.202 -14.590 5.699 1.00 0.00 O ATOM 1161 ND2 ASN A 73 -4.499 -14.619 3.566 1.00 0.00 N ATOM 0 H ASN A 73 -7.603 -14.826 3.092 1.00 0.00 H new ATOM 0 HA ASN A 73 -7.663 -13.857 5.560 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -6.181 -12.859 3.114 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -5.910 -12.118 4.678 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -3.832 -15.368 3.749 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -4.581 -14.227 2.628 1.00 0.00 H new ATOM 1168 N PRO A 74 -8.762 -11.667 5.956 1.00 0.00 N ATOM 1169 CA PRO A 74 -9.527 -10.449 6.235 1.00 0.00 C ATOM 1170 C PRO A 74 -8.744 -9.183 5.904 1.00 0.00 C ATOM 1171 O PRO A 74 -7.672 -9.245 5.301 1.00 0.00 O ATOM 1172 CB PRO A 74 -9.793 -10.535 7.740 1.00 0.00 C ATOM 1173 CG PRO A 74 -8.689 -11.381 8.272 1.00 0.00 C ATOM 1174 CD PRO A 74 -8.365 -12.370 7.187 1.00 0.00 C ATOM 0 HA PRO A 74 -10.432 -10.389 5.630 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -9.791 -9.547 8.199 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -10.767 -10.980 7.945 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -7.818 -10.775 8.520 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -8.994 -11.891 9.186 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -7.306 -12.626 7.180 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -8.917 -13.301 7.314 1.00 0.00 H new ATOM 1182 N HIS A 75 -9.285 -8.036 6.302 1.00 0.00 N ATOM 1183 CA HIS A 75 -8.636 -6.756 6.048 1.00 0.00 C ATOM 1184 C HIS A 75 -8.157 -6.121 7.350 1.00 0.00 C ATOM 1185 O HIS A 75 -8.489 -6.591 8.439 1.00 0.00 O ATOM 1186 CB HIS A 75 -9.595 -5.807 5.328 1.00 0.00 C ATOM 1187 CG HIS A 75 -10.856 -5.539 6.089 1.00 0.00 C ATOM 1188 ND1 HIS A 75 -11.781 -6.519 6.382 1.00 0.00 N ATOM 1189 CD2 HIS A 75 -11.343 -4.393 6.621 1.00 0.00 C ATOM 1190 CE1 HIS A 75 -12.783 -5.987 7.059 1.00 0.00 C ATOM 1191 NE2 HIS A 75 -12.542 -4.699 7.217 1.00 0.00 N ATOM 0 H HIS A 75 -10.171 -7.967 6.802 1.00 0.00 H new ATOM 0 HA HIS A 75 -7.770 -6.937 5.412 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -9.085 -4.862 5.141 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -9.850 -6.230 4.356 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -10.876 -3.420 6.584 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -13.652 -6.516 7.422 1.00 0.00 H new ATOM 0 HE2 HIS A 75 -13.148 -4.038 7.703 1.00 0.00 H new ATOM 1200 N CYS A 76 -7.375 -5.054 7.231 1.00 0.00 N ATOM 1201 CA CYS A 76 -6.849 -4.357 8.399 1.00 0.00 C ATOM 1202 C CYS A 76 -7.688 -3.124 8.720 1.00 0.00 C ATOM 1203 O CYS A 76 -8.222 -2.993 9.822 1.00 0.00 O ATOM 1204 CB CYS A 76 -5.393 -3.950 8.163 1.00 0.00 C ATOM 1205 SG CYS A 76 -4.605 -3.171 9.591 1.00 0.00 S ATOM 0 H CYS A 76 -7.091 -4.653 6.337 1.00 0.00 H new ATOM 0 HA CYS A 76 -6.896 -5.038 9.249 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -4.820 -4.834 7.883 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -5.351 -3.262 7.318 1.00 0.00 H new ATOM 0 HG CYS A 76 -5.519 -2.712 10.394 1.00 0.00 H new ATOM 1211 N PHE A 77 -7.800 -2.222 7.750 1.00 0.00 N ATOM 1212 CA PHE A 77 -8.572 -0.998 7.930 1.00 0.00 C ATOM 1213 C PHE A 77 -9.440 -0.718 6.707 1.00 0.00 C ATOM 1214 O PHE A 77 -9.180 -1.230 5.619 1.00 0.00 O ATOM 1215 CB PHE A 77 -7.638 0.186 8.189 1.00 0.00 C ATOM 1216 CG PHE A 77 -6.542 0.318 7.171 1.00 0.00 C ATOM 1217 CD1 PHE A 77 -5.402 -0.465 7.255 1.00 0.00 C ATOM 1218 CD2 PHE A 77 -6.651 1.226 6.130 1.00 0.00 C ATOM 1219 CE1 PHE A 77 -4.391 -0.346 6.320 1.00 0.00 C ATOM 1220 CE2 PHE A 77 -5.644 1.349 5.192 1.00 0.00 C ATOM 1221 CZ PHE A 77 -4.512 0.563 5.288 1.00 0.00 C ATOM 0 H PHE A 77 -7.366 -2.316 6.832 1.00 0.00 H new ATOM 0 HA PHE A 77 -9.224 -1.133 8.793 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -8.224 1.105 8.202 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -7.193 0.078 9.178 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -5.302 -1.177 8.061 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -7.533 1.844 6.051 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -3.508 -0.963 6.397 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -5.742 2.059 4.384 1.00 0.00 H new ATOM 0 HZ PHE A 77 -3.723 0.659 4.557 1.00 0.00 H new ATOM 1231 N GLU A 78 -10.472 0.098 6.896 1.00 0.00 N ATOM 1232 CA GLU A 78 -11.379 0.445 5.808 1.00 0.00 C ATOM 1233 C GLU A 78 -11.323 1.940 5.509 1.00 0.00 C ATOM 1234 O GLU A 78 -11.406 2.769 6.416 1.00 0.00 O ATOM 1235 CB GLU A 78 -12.812 0.038 6.160 1.00 0.00 C ATOM 1236 CG GLU A 78 -13.017 -1.466 6.232 1.00 0.00 C ATOM 1237 CD GLU A 78 -14.269 -1.848 6.996 1.00 0.00 C ATOM 1238 OE1 GLU A 78 -15.378 -1.614 6.472 1.00 0.00 O ATOM 1239 OE2 GLU A 78 -14.141 -2.380 8.118 1.00 0.00 O ATOM 0 H GLU A 78 -10.701 0.531 7.791 1.00 0.00 H new ATOM 0 HA GLU A 78 -11.062 -0.098 4.918 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -13.081 0.479 7.120 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -13.492 0.454 5.416 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -13.075 -1.870 5.221 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -12.151 -1.925 6.709 1.00 0.00 H new ATOM 1246 N ILE A 79 -11.181 2.277 4.232 1.00 0.00 N ATOM 1247 CA ILE A 79 -11.114 3.672 3.812 1.00 0.00 C ATOM 1248 C ILE A 79 -12.419 4.113 3.159 1.00 0.00 C ATOM 1249 O ILE A 79 -12.527 4.162 1.934 1.00 0.00 O ATOM 1250 CB ILE A 79 -9.954 3.908 2.827 1.00 0.00 C ATOM 1251 CG1 ILE A 79 -8.655 3.322 3.384 1.00 0.00 C ATOM 1252 CG2 ILE A 79 -9.793 5.394 2.545 1.00 0.00 C ATOM 1253 CD1 ILE A 79 -7.560 3.188 2.349 1.00 0.00 C ATOM 0 H ILE A 79 -11.110 1.603 3.469 1.00 0.00 H new ATOM 0 HA ILE A 79 -10.943 4.264 4.711 1.00 0.00 H new ATOM 0 HB ILE A 79 -10.185 3.403 1.889 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -8.300 3.955 4.197 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -8.862 2.341 3.811 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -8.969 5.545 1.847 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -10.713 5.784 2.110 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -9.581 5.920 3.476 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -6.669 2.766 2.814 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -7.896 2.531 1.547 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -7.325 4.170 1.939 1.00 0.00 H new ATOM 1265 N VAL A 80 -13.409 4.434 3.986 1.00 0.00 N ATOM 1266 CA VAL A 80 -14.707 4.875 3.489 1.00 0.00 C ATOM 1267 C VAL A 80 -14.555 6.021 2.496 1.00 0.00 C ATOM 1268 O VAL A 80 -14.299 7.162 2.881 1.00 0.00 O ATOM 1269 CB VAL A 80 -15.625 5.326 4.641 1.00 0.00 C ATOM 1270 CG1 VAL A 80 -16.980 5.762 4.104 1.00 0.00 C ATOM 1271 CG2 VAL A 80 -15.781 4.212 5.665 1.00 0.00 C ATOM 0 H VAL A 80 -13.337 4.397 5.003 1.00 0.00 H new ATOM 0 HA VAL A 80 -15.160 4.021 2.986 1.00 0.00 H new ATOM 0 HB VAL A 80 -15.165 6.181 5.136 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -17.615 6.077 4.932 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -16.847 6.593 3.412 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -17.450 4.928 3.583 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -16.433 4.548 6.472 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -16.219 3.336 5.186 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -14.804 3.953 6.072 1.00 0.00 H new ATOM 1281 N THR A 81 -14.716 5.711 1.213 1.00 0.00 N ATOM 1282 CA THR A 81 -14.597 6.714 0.163 1.00 0.00 C ATOM 1283 C THR A 81 -15.968 7.140 -0.349 1.00 0.00 C ATOM 1284 O THR A 81 -16.992 6.604 0.072 1.00 0.00 O ATOM 1285 CB THR A 81 -13.759 6.193 -1.020 1.00 0.00 C ATOM 1286 OG1 THR A 81 -14.374 5.027 -1.580 1.00 0.00 O ATOM 1287 CG2 THR A 81 -12.343 5.861 -0.575 1.00 0.00 C ATOM 0 H THR A 81 -14.929 4.772 0.877 1.00 0.00 H new ATOM 0 HA THR A 81 -14.094 7.574 0.604 1.00 0.00 H new ATOM 0 HB THR A 81 -13.711 6.977 -1.776 1.00 0.00 H new ATOM 0 HG1 THR A 81 -14.590 4.395 -0.863 1.00 0.00 H new ATOM 0 HG21 THR A 81 -11.770 5.495 -1.427 1.00 0.00 H new ATOM 0 HG22 THR A 81 -11.868 6.757 -0.176 1.00 0.00 H new ATOM 0 HG23 THR A 81 -12.375 5.093 0.197 1.00 0.00 H new ATOM 1295 N ALA A 82 -15.980 8.107 -1.261 1.00 0.00 N ATOM 1296 CA ALA A 82 -17.226 8.602 -1.833 1.00 0.00 C ATOM 1297 C ALA A 82 -17.745 7.663 -2.916 1.00 0.00 C ATOM 1298 O ALA A 82 -18.691 7.988 -3.631 1.00 0.00 O ATOM 1299 CB ALA A 82 -17.028 10.002 -2.396 1.00 0.00 C ATOM 0 H ALA A 82 -15.141 8.563 -1.619 1.00 0.00 H new ATOM 0 HA ALA A 82 -17.971 8.643 -1.038 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -17.966 10.360 -2.820 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -16.711 10.674 -1.598 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -16.265 9.977 -3.174 1.00 0.00 H new ATOM 1305 N ASN A 83 -17.118 6.496 -3.031 1.00 0.00 N ATOM 1306 CA ASN A 83 -17.517 5.510 -4.029 1.00 0.00 C ATOM 1307 C ASN A 83 -17.953 4.208 -3.362 1.00 0.00 C ATOM 1308 O ASN A 83 -18.910 3.567 -3.797 1.00 0.00 O ATOM 1309 CB ASN A 83 -16.364 5.238 -4.997 1.00 0.00 C ATOM 1310 CG ASN A 83 -16.393 3.827 -5.550 1.00 0.00 C ATOM 1311 OD1 ASN A 83 -15.548 2.998 -5.213 1.00 0.00 O ATOM 1312 ND2 ASN A 83 -17.370 3.547 -6.405 1.00 0.00 N ATOM 0 H ASN A 83 -16.333 6.211 -2.446 1.00 0.00 H new ATOM 0 HA ASN A 83 -18.362 5.914 -4.586 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -16.410 5.949 -5.822 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -15.416 5.405 -4.485 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -17.441 2.614 -6.810 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -18.049 4.265 -6.656 1.00 0.00 H new ATOM 1319 N ALA A 84 -17.245 3.825 -2.305 1.00 0.00 N ATOM 1320 CA ALA A 84 -17.561 2.602 -1.577 1.00 0.00 C ATOM 1321 C ALA A 84 -16.638 2.425 -0.376 1.00 0.00 C ATOM 1322 O ALA A 84 -15.773 3.262 -0.114 1.00 0.00 O ATOM 1323 CB ALA A 84 -17.465 1.398 -2.502 1.00 0.00 C ATOM 0 H ALA A 84 -16.449 4.344 -1.934 1.00 0.00 H new ATOM 0 HA ALA A 84 -18.583 2.681 -1.208 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -17.703 0.492 -1.945 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -18.170 1.514 -3.325 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -16.453 1.324 -2.899 1.00 0.00 H new ATOM 1329 N THR A 85 -16.827 1.329 0.353 1.00 0.00 N ATOM 1330 CA THR A 85 -16.013 1.043 1.528 1.00 0.00 C ATOM 1331 C THR A 85 -14.810 0.180 1.165 1.00 0.00 C ATOM 1332 O THR A 85 -14.957 -0.991 0.812 1.00 0.00 O ATOM 1333 CB THR A 85 -16.833 0.329 2.619 1.00 0.00 C ATOM 1334 OG1 THR A 85 -18.118 0.947 2.749 1.00 0.00 O ATOM 1335 CG2 THR A 85 -16.107 0.370 3.955 1.00 0.00 C ATOM 0 H THR A 85 -17.537 0.625 0.150 1.00 0.00 H new ATOM 0 HA THR A 85 -15.666 2.001 1.914 1.00 0.00 H new ATOM 0 HB THR A 85 -16.960 -0.713 2.324 1.00 0.00 H new ATOM 0 HG1 THR A 85 -18.634 0.486 3.443 1.00 0.00 H new ATOM 0 HG21 THR A 85 -16.705 -0.140 4.710 1.00 0.00 H new ATOM 0 HG22 THR A 85 -15.142 -0.127 3.860 1.00 0.00 H new ATOM 0 HG23 THR A 85 -15.953 1.407 4.254 1.00 0.00 H new ATOM 1343 N TYR A 86 -13.620 0.763 1.256 1.00 0.00 N ATOM 1344 CA TYR A 86 -12.391 0.047 0.936 1.00 0.00 C ATOM 1345 C TYR A 86 -11.997 -0.892 2.072 1.00 0.00 C ATOM 1346 O TYR A 86 -12.352 -0.670 3.229 1.00 0.00 O ATOM 1347 CB TYR A 86 -11.257 1.036 0.661 1.00 0.00 C ATOM 1348 CG TYR A 86 -11.406 1.779 -0.648 1.00 0.00 C ATOM 1349 CD1 TYR A 86 -12.563 1.661 -1.408 1.00 0.00 C ATOM 1350 CD2 TYR A 86 -10.390 2.597 -1.125 1.00 0.00 C ATOM 1351 CE1 TYR A 86 -12.704 2.337 -2.605 1.00 0.00 C ATOM 1352 CE2 TYR A 86 -10.522 3.278 -2.320 1.00 0.00 C ATOM 1353 CZ TYR A 86 -11.681 3.145 -3.056 1.00 0.00 C ATOM 1354 OH TYR A 86 -11.816 3.820 -4.247 1.00 0.00 O ATOM 0 H TYR A 86 -13.480 1.730 1.549 1.00 0.00 H new ATOM 0 HA TYR A 86 -12.570 -0.549 0.041 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -11.210 1.758 1.476 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -10.309 0.498 0.658 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -13.366 1.030 -1.057 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -9.481 2.703 -0.552 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -13.610 2.233 -3.184 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -9.722 3.911 -2.676 1.00 0.00 H new ATOM 0 HH TYR A 86 -11.007 4.345 -4.419 1.00 0.00 H new ATOM 1364 N PHE A 87 -11.259 -1.944 1.731 1.00 0.00 N ATOM 1365 CA PHE A 87 -10.815 -2.919 2.721 1.00 0.00 C ATOM 1366 C PHE A 87 -9.342 -3.265 2.521 1.00 0.00 C ATOM 1367 O PHE A 87 -9.006 -4.209 1.805 1.00 0.00 O ATOM 1368 CB PHE A 87 -11.665 -4.188 2.634 1.00 0.00 C ATOM 1369 CG PHE A 87 -13.093 -3.983 3.054 1.00 0.00 C ATOM 1370 CD1 PHE A 87 -13.978 -3.299 2.236 1.00 0.00 C ATOM 1371 CD2 PHE A 87 -13.549 -4.474 4.266 1.00 0.00 C ATOM 1372 CE1 PHE A 87 -15.291 -3.108 2.621 1.00 0.00 C ATOM 1373 CE2 PHE A 87 -14.862 -4.287 4.656 1.00 0.00 C ATOM 1374 CZ PHE A 87 -15.735 -3.604 3.831 1.00 0.00 C ATOM 0 H PHE A 87 -10.956 -2.143 0.778 1.00 0.00 H new ATOM 0 HA PHE A 87 -10.935 -2.476 3.710 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -11.646 -4.559 1.609 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -11.217 -4.959 3.261 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -13.638 -2.911 1.287 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -12.871 -5.009 4.914 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -15.970 -2.571 1.976 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -15.205 -4.674 5.604 1.00 0.00 H new ATOM 0 HZ PHE A 87 -16.762 -3.458 4.132 1.00 0.00 H new ATOM 1384 N VAL A 88 -8.467 -2.493 3.158 1.00 0.00 N ATOM 1385 CA VAL A 88 -7.031 -2.718 3.051 1.00 0.00 C ATOM 1386 C VAL A 88 -6.519 -3.564 4.212 1.00 0.00 C ATOM 1387 O VAL A 88 -6.800 -3.277 5.374 1.00 0.00 O ATOM 1388 CB VAL A 88 -6.256 -1.387 3.020 1.00 0.00 C ATOM 1389 CG1 VAL A 88 -4.788 -1.631 2.701 1.00 0.00 C ATOM 1390 CG2 VAL A 88 -6.877 -0.433 2.012 1.00 0.00 C ATOM 0 H VAL A 88 -8.728 -1.707 3.753 1.00 0.00 H new ATOM 0 HA VAL A 88 -6.863 -3.251 2.115 1.00 0.00 H new ATOM 0 HB VAL A 88 -6.317 -0.928 4.007 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -4.256 -0.680 2.683 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -4.352 -2.276 3.464 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -4.702 -2.112 1.727 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -6.317 0.502 2.003 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -6.848 -0.883 1.020 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -7.912 -0.233 2.290 1.00 0.00 H new ATOM 1400 N GLY A 89 -5.764 -4.609 3.887 1.00 0.00 N ATOM 1401 CA GLY A 89 -5.224 -5.481 4.914 1.00 0.00 C ATOM 1402 C GLY A 89 -4.306 -6.546 4.346 1.00 0.00 C ATOM 1403 O GLY A 89 -3.097 -6.339 4.240 1.00 0.00 O ATOM 0 H GLY A 89 -5.517 -4.867 2.932 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -4.676 -4.884 5.642 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -6.045 -5.960 5.448 1.00 0.00 H new ATOM 1407 N GLU A 90 -4.880 -7.688 3.981 1.00 0.00 N ATOM 1408 CA GLU A 90 -4.104 -8.789 3.424 1.00 0.00 C ATOM 1409 C GLU A 90 -4.886 -9.506 2.327 1.00 0.00 C ATOM 1410 O GLU A 90 -6.110 -9.400 2.253 1.00 0.00 O ATOM 1411 CB GLU A 90 -3.721 -9.781 4.524 1.00 0.00 C ATOM 1412 CG GLU A 90 -2.640 -10.764 4.108 1.00 0.00 C ATOM 1413 CD GLU A 90 -1.320 -10.085 3.802 1.00 0.00 C ATOM 1414 OE1 GLU A 90 -0.930 -9.177 4.566 1.00 0.00 O ATOM 1415 OE2 GLU A 90 -0.677 -10.460 2.800 1.00 0.00 O ATOM 0 H GLU A 90 -5.880 -7.875 4.061 1.00 0.00 H new ATOM 0 HA GLU A 90 -3.196 -8.374 2.987 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -3.379 -9.227 5.398 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -4.609 -10.337 4.826 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -2.493 -11.494 4.904 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -2.974 -11.314 3.228 1.00 0.00 H new ATOM 1422 N MET A 91 -4.170 -10.234 1.477 1.00 0.00 N ATOM 1423 CA MET A 91 -4.797 -10.970 0.385 1.00 0.00 C ATOM 1424 C MET A 91 -4.831 -12.465 0.685 1.00 0.00 C ATOM 1425 O MET A 91 -3.982 -12.999 1.399 1.00 0.00 O ATOM 1426 CB MET A 91 -4.047 -10.717 -0.925 1.00 0.00 C ATOM 1427 CG MET A 91 -2.637 -11.285 -0.936 1.00 0.00 C ATOM 1428 SD MET A 91 -2.064 -11.689 -2.598 1.00 0.00 S ATOM 1429 CE MET A 91 -2.404 -13.446 -2.656 1.00 0.00 C ATOM 0 H MET A 91 -3.156 -10.330 1.523 1.00 0.00 H new ATOM 0 HA MET A 91 -5.823 -10.615 0.283 1.00 0.00 H new ATOM 0 HB2 MET A 91 -4.612 -11.154 -1.748 1.00 0.00 H new ATOM 0 HB3 MET A 91 -3.999 -9.643 -1.105 1.00 0.00 H new ATOM 0 HG2 MET A 91 -1.955 -10.563 -0.486 1.00 0.00 H new ATOM 0 HG3 MET A 91 -2.606 -12.182 -0.317 1.00 0.00 H new ATOM 0 HE1 MET A 91 -1.641 -13.945 -3.254 1.00 0.00 H new ATOM 0 HE2 MET A 91 -2.394 -13.852 -1.644 1.00 0.00 H new ATOM 0 HE3 MET A 91 -3.383 -13.612 -3.104 1.00 0.00 H new ATOM 1439 N PRO A 92 -5.835 -13.158 0.128 1.00 0.00 N ATOM 1440 CA PRO A 92 -6.003 -14.601 0.322 1.00 0.00 C ATOM 1441 C PRO A 92 -4.922 -15.411 -0.385 1.00 0.00 C ATOM 1442 O PRO A 92 -4.621 -15.176 -1.554 1.00 0.00 O ATOM 1443 CB PRO A 92 -7.374 -14.885 -0.297 1.00 0.00 C ATOM 1444 CG PRO A 92 -7.569 -13.800 -1.299 1.00 0.00 C ATOM 1445 CD PRO A 92 -6.883 -12.587 -0.734 1.00 0.00 C ATOM 0 HA PRO A 92 -5.927 -14.882 1.372 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -7.400 -15.868 -0.768 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -8.160 -14.872 0.458 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -7.141 -14.077 -2.263 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -8.629 -13.607 -1.464 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -6.460 -11.962 -1.520 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -7.573 -11.962 -0.167 1.00 0.00 H new ATOM 1453 N GLY A 93 -4.341 -16.368 0.333 1.00 0.00 N ATOM 1454 CA GLY A 93 -3.299 -17.198 -0.242 1.00 0.00 C ATOM 1455 C GLY A 93 -2.510 -17.952 0.810 1.00 0.00 C ATOM 1456 O GLY A 93 -1.281 -17.967 0.782 1.00 0.00 O ATOM 0 H GLY A 93 -4.574 -16.583 1.303 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -3.747 -17.910 -0.935 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -2.620 -16.573 -0.822 1.00 0.00 H new ATOM 1460 N GLY A 94 -3.220 -18.579 1.743 1.00 0.00 N ATOM 1461 CA GLY A 94 -2.562 -19.328 2.798 1.00 0.00 C ATOM 1462 C GLY A 94 -3.481 -20.344 3.448 1.00 0.00 C ATOM 1463 O GLY A 94 -4.664 -20.424 3.116 1.00 0.00 O ATOM 0 H GLY A 94 -4.239 -18.582 1.787 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -1.692 -19.840 2.387 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -2.196 -18.636 3.557 1.00 0.00 H new ATOM 1467 N THR A 95 -2.936 -21.123 4.377 1.00 0.00 N ATOM 1468 CA THR A 95 -3.713 -22.141 5.073 1.00 0.00 C ATOM 1469 C THR A 95 -3.569 -22.004 6.584 1.00 0.00 C ATOM 1470 O THR A 95 -2.516 -21.628 7.100 1.00 0.00 O ATOM 1471 CB THR A 95 -3.286 -23.560 4.653 1.00 0.00 C ATOM 1472 OG1 THR A 95 -1.863 -23.690 4.747 1.00 0.00 O ATOM 1473 CG2 THR A 95 -3.735 -23.862 3.232 1.00 0.00 C ATOM 0 H THR A 95 -1.959 -21.068 4.665 1.00 0.00 H new ATOM 0 HA THR A 95 -4.756 -21.988 4.795 1.00 0.00 H new ATOM 0 HB THR A 95 -3.762 -24.273 5.326 1.00 0.00 H new ATOM 0 HG1 THR A 95 -1.599 -24.595 4.480 1.00 0.00 H new ATOM 0 HG21 THR A 95 -3.422 -24.869 2.958 1.00 0.00 H new ATOM 0 HG22 THR A 95 -4.821 -23.790 3.170 1.00 0.00 H new ATOM 0 HG23 THR A 95 -3.284 -23.143 2.548 1.00 0.00 H new ATOM 1481 N PRO A 96 -4.649 -22.318 7.314 1.00 0.00 N ATOM 1482 CA PRO A 96 -4.667 -22.240 8.777 1.00 0.00 C ATOM 1483 C PRO A 96 -3.797 -23.311 9.426 1.00 0.00 C ATOM 1484 O PRO A 96 -4.285 -24.374 9.807 1.00 0.00 O ATOM 1485 CB PRO A 96 -6.140 -22.463 9.127 1.00 0.00 C ATOM 1486 CG PRO A 96 -6.687 -23.244 7.982 1.00 0.00 C ATOM 1487 CD PRO A 96 -5.938 -22.775 6.766 1.00 0.00 C ATOM 0 HA PRO A 96 -4.268 -21.292 9.139 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -6.246 -23.008 10.065 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -6.666 -21.516 9.248 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -6.548 -24.314 8.137 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -7.758 -23.075 7.870 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -5.804 -23.579 6.042 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -6.466 -21.970 6.255 1.00 0.00 H new ATOM 1495 N GLY A 97 -2.504 -23.024 9.548 1.00 0.00 N ATOM 1496 CA GLY A 97 -1.587 -23.973 10.151 1.00 0.00 C ATOM 1497 C GLY A 97 -0.466 -23.293 10.911 1.00 0.00 C ATOM 1498 O GLY A 97 -0.394 -23.381 12.136 1.00 0.00 O ATOM 0 H GLY A 97 -2.076 -22.151 9.240 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -2.138 -24.625 10.829 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -1.162 -24.607 9.373 1.00 0.00 H new ATOM 1502 N GLY A 98 0.415 -22.614 10.182 1.00 0.00 N ATOM 1503 CA GLY A 98 1.527 -21.927 10.812 1.00 0.00 C ATOM 1504 C GLY A 98 2.528 -21.399 9.804 1.00 0.00 C ATOM 1505 O GLY A 98 3.701 -21.775 9.805 1.00 0.00 O ATOM 0 H GLY A 98 0.378 -22.528 9.166 1.00 0.00 H new ATOM 0 HA2 GLY A 98 1.147 -21.099 11.410 1.00 0.00 H new ATOM 0 HA3 GLY A 98 2.031 -22.609 11.497 1.00 0.00 H new ATOM 1509 N PRO A 99 2.065 -20.506 8.916 1.00 0.00 N ATOM 1510 CA PRO A 99 2.912 -19.907 7.880 1.00 0.00 C ATOM 1511 C PRO A 99 3.942 -18.943 8.459 1.00 0.00 C ATOM 1512 O PRO A 99 3.810 -18.488 9.595 1.00 0.00 O ATOM 1513 CB PRO A 99 1.913 -19.155 6.997 1.00 0.00 C ATOM 1514 CG PRO A 99 0.761 -18.860 7.894 1.00 0.00 C ATOM 1515 CD PRO A 99 0.679 -20.013 8.856 1.00 0.00 C ATOM 0 HA PRO A 99 3.494 -20.657 7.345 1.00 0.00 H new ATOM 0 HB2 PRO A 99 2.349 -18.239 6.598 1.00 0.00 H new ATOM 0 HB3 PRO A 99 1.606 -19.760 6.144 1.00 0.00 H new ATOM 0 HG2 PRO A 99 0.910 -17.919 8.424 1.00 0.00 H new ATOM 0 HG3 PRO A 99 -0.163 -18.761 7.323 1.00 0.00 H new ATOM 0 HD2 PRO A 99 0.323 -19.694 9.836 1.00 0.00 H new ATOM 0 HD3 PRO A 99 -0.007 -20.783 8.503 1.00 0.00 H new ATOM 1523 N SER A 100 4.967 -18.637 7.671 1.00 0.00 N ATOM 1524 CA SER A 100 6.022 -17.729 8.107 1.00 0.00 C ATOM 1525 C SER A 100 6.120 -16.524 7.177 1.00 0.00 C ATOM 1526 O SER A 100 5.664 -16.567 6.036 1.00 0.00 O ATOM 1527 CB SER A 100 7.365 -18.460 8.157 1.00 0.00 C ATOM 1528 OG SER A 100 7.684 -19.026 6.898 1.00 0.00 O ATOM 0 H SER A 100 5.090 -19.004 6.727 1.00 0.00 H new ATOM 0 HA SER A 100 5.772 -17.375 9.107 1.00 0.00 H new ATOM 0 HB2 SER A 100 8.150 -17.765 8.456 1.00 0.00 H new ATOM 0 HB3 SER A 100 7.328 -19.244 8.913 1.00 0.00 H new ATOM 0 HG SER A 100 8.547 -19.486 6.955 1.00 0.00 H new ATOM 1534 N GLY A 101 6.720 -15.447 7.676 1.00 0.00 N ATOM 1535 CA GLY A 101 6.868 -14.244 6.877 1.00 0.00 C ATOM 1536 C GLY A 101 6.198 -13.041 7.511 1.00 0.00 C ATOM 1537 O GLY A 101 5.087 -13.145 8.031 1.00 0.00 O ATOM 0 H GLY A 101 7.106 -15.386 8.618 1.00 0.00 H new ATOM 0 HA2 GLY A 101 7.928 -14.033 6.736 1.00 0.00 H new ATOM 0 HA3 GLY A 101 6.442 -14.414 5.888 1.00 0.00 H new ATOM 1541 N GLN A 102 6.875 -11.898 7.470 1.00 0.00 N ATOM 1542 CA GLN A 102 6.337 -10.672 8.047 1.00 0.00 C ATOM 1543 C GLN A 102 5.194 -10.126 7.198 1.00 0.00 C ATOM 1544 O GLN A 102 5.387 -9.224 6.384 1.00 0.00 O ATOM 1545 CB GLN A 102 7.439 -9.619 8.176 1.00 0.00 C ATOM 1546 CG GLN A 102 8.591 -10.050 9.070 1.00 0.00 C ATOM 1547 CD GLN A 102 8.273 -9.900 10.545 1.00 0.00 C ATOM 1548 OE1 GLN A 102 8.707 -8.946 11.191 1.00 0.00 O ATOM 1549 NE2 GLN A 102 7.512 -10.844 11.086 1.00 0.00 N ATOM 0 H GLN A 102 7.796 -11.795 7.044 1.00 0.00 H new ATOM 0 HA GLN A 102 5.949 -10.907 9.038 1.00 0.00 H new ATOM 0 HB2 GLN A 102 7.827 -9.388 7.184 1.00 0.00 H new ATOM 0 HB3 GLN A 102 7.007 -8.700 8.572 1.00 0.00 H new ATOM 0 HG2 GLN A 102 8.839 -11.090 8.860 1.00 0.00 H new ATOM 0 HG3 GLN A 102 9.473 -9.457 8.830 1.00 0.00 H new ATOM 0 HE21 GLN A 102 7.174 -11.617 10.513 1.00 0.00 H new ATOM 0 HE22 GLN A 102 7.265 -10.796 12.075 1.00 0.00 H new ATOM 1558 N GLY A 103 4.001 -10.680 7.394 1.00 0.00 N ATOM 1559 CA GLY A 103 2.844 -10.236 6.639 1.00 0.00 C ATOM 1560 C GLY A 103 1.578 -10.222 7.473 1.00 0.00 C ATOM 1561 O GLY A 103 0.548 -10.752 7.058 1.00 0.00 O ATOM 0 H GLY A 103 3.815 -11.428 8.062 1.00 0.00 H new ATOM 0 HA2 GLY A 103 3.030 -9.235 6.250 1.00 0.00 H new ATOM 0 HA3 GLY A 103 2.702 -10.891 5.779 1.00 0.00 H new ATOM 1565 N ALA A 104 1.656 -9.616 8.653 1.00 0.00 N ATOM 1566 CA ALA A 104 0.507 -9.536 9.547 1.00 0.00 C ATOM 1567 C ALA A 104 0.359 -8.132 10.125 1.00 0.00 C ATOM 1568 O ALA A 104 -0.652 -7.465 9.907 1.00 0.00 O ATOM 1569 CB ALA A 104 0.636 -10.558 10.666 1.00 0.00 C ATOM 0 H ALA A 104 2.502 -9.174 9.012 1.00 0.00 H new ATOM 0 HA ALA A 104 -0.389 -9.759 8.968 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -0.229 -10.487 11.325 1.00 0.00 H new ATOM 0 HB2 ALA A 104 0.686 -11.560 10.240 1.00 0.00 H new ATOM 0 HB3 ALA A 104 1.544 -10.361 11.236 1.00 0.00 H new ATOM 1575 N GLU A 105 1.373 -7.691 10.863 1.00 0.00 N ATOM 1576 CA GLU A 105 1.353 -6.367 11.473 1.00 0.00 C ATOM 1577 C GLU A 105 1.670 -5.288 10.442 1.00 0.00 C ATOM 1578 O GLU A 105 1.160 -4.171 10.520 1.00 0.00 O ATOM 1579 CB GLU A 105 2.357 -6.297 12.626 1.00 0.00 C ATOM 1580 CG GLU A 105 1.775 -6.714 13.966 1.00 0.00 C ATOM 1581 CD GLU A 105 2.639 -6.283 15.136 1.00 0.00 C ATOM 1582 OE1 GLU A 105 3.789 -6.759 15.232 1.00 0.00 O ATOM 1583 OE2 GLU A 105 2.163 -5.470 15.956 1.00 0.00 O ATOM 0 H GLU A 105 2.218 -8.231 11.053 1.00 0.00 H new ATOM 0 HA GLU A 105 0.350 -6.190 11.862 1.00 0.00 H new ATOM 0 HB2 GLU A 105 3.209 -6.937 12.394 1.00 0.00 H new ATOM 0 HB3 GLU A 105 2.736 -5.278 12.705 1.00 0.00 H new ATOM 0 HG2 GLU A 105 0.780 -6.283 14.076 1.00 0.00 H new ATOM 0 HG3 GLU A 105 1.657 -7.797 13.986 1.00 0.00 H new ATOM 1590 N ALA A 106 2.516 -5.631 9.476 1.00 0.00 N ATOM 1591 CA ALA A 106 2.901 -4.693 8.429 1.00 0.00 C ATOM 1592 C ALA A 106 1.730 -3.799 8.035 1.00 0.00 C ATOM 1593 O ALA A 106 1.911 -2.622 7.727 1.00 0.00 O ATOM 1594 CB ALA A 106 3.426 -5.445 7.214 1.00 0.00 C ATOM 0 H ALA A 106 2.948 -6.552 9.397 1.00 0.00 H new ATOM 0 HA ALA A 106 3.695 -4.056 8.820 1.00 0.00 H new ATOM 0 HB1 ALA A 106 3.710 -4.732 6.440 1.00 0.00 H new ATOM 0 HB2 ALA A 106 4.296 -6.036 7.500 1.00 0.00 H new ATOM 0 HB3 ALA A 106 2.648 -6.106 6.831 1.00 0.00 H new ATOM 1600 N ALA A 107 0.528 -4.367 8.046 1.00 0.00 N ATOM 1601 CA ALA A 107 -0.673 -3.621 7.692 1.00 0.00 C ATOM 1602 C ALA A 107 -0.941 -2.504 8.694 1.00 0.00 C ATOM 1603 O ALA A 107 -1.139 -1.350 8.314 1.00 0.00 O ATOM 1604 CB ALA A 107 -1.870 -4.557 7.608 1.00 0.00 C ATOM 0 H ALA A 107 0.361 -5.342 8.296 1.00 0.00 H new ATOM 0 HA ALA A 107 -0.513 -3.165 6.715 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -2.760 -3.986 7.343 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -1.686 -5.316 6.848 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -2.023 -5.040 8.573 1.00 0.00 H new ATOM 1610 N ARG A 108 -0.948 -2.855 9.976 1.00 0.00 N ATOM 1611 CA ARG A 108 -1.194 -1.882 11.033 1.00 0.00 C ATOM 1612 C ARG A 108 -0.478 -0.567 10.740 1.00 0.00 C ATOM 1613 O ARG A 108 -1.001 0.512 11.014 1.00 0.00 O ATOM 1614 CB ARG A 108 -0.734 -2.436 12.383 1.00 0.00 C ATOM 1615 CG ARG A 108 0.712 -2.105 12.716 1.00 0.00 C ATOM 1616 CD ARG A 108 1.157 -2.784 14.002 1.00 0.00 C ATOM 1617 NE ARG A 108 2.320 -2.127 14.593 1.00 0.00 N ATOM 1618 CZ ARG A 108 3.541 -2.189 14.075 1.00 0.00 C ATOM 1619 NH1 ARG A 108 3.758 -2.874 12.960 1.00 0.00 N ATOM 1620 NH2 ARG A 108 4.549 -1.565 14.672 1.00 0.00 N ATOM 0 H ARG A 108 -0.786 -3.806 10.307 1.00 0.00 H new ATOM 0 HA ARG A 108 -2.266 -1.690 11.073 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -1.379 -2.040 13.168 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -0.860 -3.519 12.384 1.00 0.00 H new ATOM 0 HG2 ARG A 108 1.357 -2.420 11.895 1.00 0.00 H new ATOM 0 HG3 ARG A 108 0.826 -1.025 12.815 1.00 0.00 H new ATOM 0 HD2 ARG A 108 0.335 -2.779 14.718 1.00 0.00 H new ATOM 0 HD3 ARG A 108 1.395 -3.828 13.797 1.00 0.00 H new ATOM 0 HE ARG A 108 2.187 -1.591 15.451 1.00 0.00 H new ATOM 0 HH11 ARG A 108 2.986 -3.355 12.498 1.00 0.00 H new ATOM 0 HH12 ARG A 108 4.697 -2.920 12.564 1.00 0.00 H new ATOM 0 HH21 ARG A 108 4.386 -1.037 15.530 1.00 0.00 H new ATOM 0 HH22 ARG A 108 5.487 -1.613 14.273 1.00 0.00 H new ATOM 1634 N GLY A 109 0.725 -0.666 10.181 1.00 0.00 N ATOM 1635 CA GLY A 109 1.494 0.522 9.860 1.00 0.00 C ATOM 1636 C GLY A 109 0.750 1.460 8.930 1.00 0.00 C ATOM 1637 O GLY A 109 0.714 2.670 9.157 1.00 0.00 O ATOM 0 H GLY A 109 1.180 -1.548 9.945 1.00 0.00 H new ATOM 0 HA2 GLY A 109 1.743 1.050 10.781 1.00 0.00 H new ATOM 0 HA3 GLY A 109 2.436 0.227 9.397 1.00 0.00 H new ATOM 1641 N TRP A 110 0.158 0.903 7.880 1.00 0.00 N ATOM 1642 CA TRP A 110 -0.587 1.700 6.911 1.00 0.00 C ATOM 1643 C TRP A 110 -1.760 2.409 7.577 1.00 0.00 C ATOM 1644 O TRP A 110 -1.996 3.593 7.339 1.00 0.00 O ATOM 1645 CB TRP A 110 -1.090 0.813 5.771 1.00 0.00 C ATOM 1646 CG TRP A 110 -0.047 0.530 4.732 1.00 0.00 C ATOM 1647 CD1 TRP A 110 0.688 -0.613 4.599 1.00 0.00 C ATOM 1648 CD2 TRP A 110 0.377 1.408 3.684 1.00 0.00 C ATOM 1649 NE1 TRP A 110 1.544 -0.499 3.531 1.00 0.00 N ATOM 1650 CE2 TRP A 110 1.373 0.731 2.952 1.00 0.00 C ATOM 1651 CE3 TRP A 110 0.012 2.698 3.290 1.00 0.00 C ATOM 1652 CZ2 TRP A 110 2.006 1.303 1.852 1.00 0.00 C ATOM 1653 CZ3 TRP A 110 0.642 3.264 2.198 1.00 0.00 C ATOM 1654 CH2 TRP A 110 1.629 2.567 1.489 1.00 0.00 C ATOM 0 H TRP A 110 0.179 -0.096 7.677 1.00 0.00 H new ATOM 0 HA TRP A 110 0.085 2.455 6.504 1.00 0.00 H new ATOM 0 HB2 TRP A 110 -1.446 -0.131 6.185 1.00 0.00 H new ATOM 0 HB3 TRP A 110 -1.944 1.295 5.296 1.00 0.00 H new ATOM 0 HD1 TRP A 110 0.608 -1.479 5.239 1.00 0.00 H new ATOM 0 HE1 TRP A 110 2.201 -1.214 3.219 1.00 0.00 H new ATOM 0 HE3 TRP A 110 -0.749 3.243 3.829 1.00 0.00 H new ATOM 0 HZ2 TRP A 110 2.768 0.768 1.305 1.00 0.00 H new ATOM 0 HZ3 TRP A 110 0.369 4.261 1.886 1.00 0.00 H new ATOM 0 HH2 TRP A 110 2.102 3.037 0.639 1.00 0.00 H new ATOM 1665 N GLU A 111 -2.493 1.677 8.411 1.00 0.00 N ATOM 1666 CA GLU A 111 -3.643 2.239 9.110 1.00 0.00 C ATOM 1667 C GLU A 111 -3.285 3.570 9.764 1.00 0.00 C ATOM 1668 O GLU A 111 -3.980 4.571 9.585 1.00 0.00 O ATOM 1669 CB GLU A 111 -4.153 1.258 10.168 1.00 0.00 C ATOM 1670 CG GLU A 111 -5.324 1.791 10.977 1.00 0.00 C ATOM 1671 CD GLU A 111 -5.970 0.724 11.839 1.00 0.00 C ATOM 1672 OE1 GLU A 111 -5.286 -0.268 12.167 1.00 0.00 O ATOM 1673 OE2 GLU A 111 -7.160 0.880 12.185 1.00 0.00 O ATOM 0 H GLU A 111 -2.311 0.695 8.619 1.00 0.00 H new ATOM 0 HA GLU A 111 -4.431 2.415 8.378 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -4.452 0.331 9.678 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -3.336 1.011 10.846 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -4.980 2.607 11.612 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -6.070 2.206 10.299 1.00 0.00 H new ATOM 1680 N THR A 112 -2.195 3.574 10.526 1.00 0.00 N ATOM 1681 CA THR A 112 -1.745 4.780 11.210 1.00 0.00 C ATOM 1682 C THR A 112 -1.131 5.771 10.228 1.00 0.00 C ATOM 1683 O THR A 112 -1.440 6.962 10.258 1.00 0.00 O ATOM 1684 CB THR A 112 -0.713 4.453 12.305 1.00 0.00 C ATOM 1685 OG1 THR A 112 -1.236 3.455 13.189 1.00 0.00 O ATOM 1686 CG2 THR A 112 -0.351 5.700 13.098 1.00 0.00 C ATOM 0 H THR A 112 -1.608 2.755 10.685 1.00 0.00 H new ATOM 0 HA THR A 112 -2.624 5.228 11.673 1.00 0.00 H new ATOM 0 HB THR A 112 0.188 4.074 11.822 1.00 0.00 H new ATOM 0 HG1 THR A 112 -0.573 3.251 13.881 1.00 0.00 H new ATOM 0 HG21 THR A 112 0.379 5.444 13.866 1.00 0.00 H new ATOM 0 HG22 THR A 112 0.074 6.447 12.428 1.00 0.00 H new ATOM 0 HG23 THR A 112 -1.247 6.104 13.570 1.00 0.00 H new ATOM 1694 N ALA A 113 -0.259 5.272 9.358 1.00 0.00 N ATOM 1695 CA ALA A 113 0.397 6.114 8.365 1.00 0.00 C ATOM 1696 C ALA A 113 -0.626 6.887 7.540 1.00 0.00 C ATOM 1697 O ALA A 113 -0.678 8.116 7.593 1.00 0.00 O ATOM 1698 CB ALA A 113 1.281 5.270 7.459 1.00 0.00 C ATOM 0 H ALA A 113 0.010 4.289 9.321 1.00 0.00 H new ATOM 0 HA ALA A 113 1.021 6.837 8.891 1.00 0.00 H new ATOM 0 HB1 ALA A 113 1.765 5.911 6.722 1.00 0.00 H new ATOM 0 HB2 ALA A 113 2.041 4.768 8.057 1.00 0.00 H new ATOM 0 HB3 ALA A 113 0.672 4.525 6.947 1.00 0.00 H new ATOM 1704 N ILE A 114 -1.435 6.160 6.777 1.00 0.00 N ATOM 1705 CA ILE A 114 -2.456 6.779 5.941 1.00 0.00 C ATOM 1706 C ILE A 114 -3.212 7.860 6.706 1.00 0.00 C ATOM 1707 O ILE A 114 -3.437 8.956 6.192 1.00 0.00 O ATOM 1708 CB ILE A 114 -3.463 5.737 5.418 1.00 0.00 C ATOM 1709 CG1 ILE A 114 -2.742 4.671 4.589 1.00 0.00 C ATOM 1710 CG2 ILE A 114 -4.545 6.415 4.591 1.00 0.00 C ATOM 1711 CD1 ILE A 114 -3.647 3.550 4.129 1.00 0.00 C ATOM 0 H ILE A 114 -1.403 5.142 6.720 1.00 0.00 H new ATOM 0 HA ILE A 114 -1.939 7.230 5.094 1.00 0.00 H new ATOM 0 HB ILE A 114 -3.936 5.250 6.271 1.00 0.00 H new ATOM 0 HG12 ILE A 114 -2.291 5.144 3.717 1.00 0.00 H new ATOM 0 HG13 ILE A 114 -1.928 4.251 5.180 1.00 0.00 H new ATOM 0 HG21 ILE A 114 -5.249 5.666 4.228 1.00 0.00 H new ATOM 0 HG22 ILE A 114 -5.074 7.141 5.209 1.00 0.00 H new ATOM 0 HG23 ILE A 114 -4.089 6.925 3.742 1.00 0.00 H new ATOM 0 HD11 ILE A 114 -3.069 2.831 3.547 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -4.078 3.051 4.997 1.00 0.00 H new ATOM 0 HD13 ILE A 114 -4.446 3.958 3.511 1.00 0.00 H new ATOM 1723 N ARG A 115 -3.600 7.545 7.937 1.00 0.00 N ATOM 1724 CA ARG A 115 -4.331 8.489 8.773 1.00 0.00 C ATOM 1725 C ARG A 115 -3.474 9.713 9.087 1.00 0.00 C ATOM 1726 O ARG A 115 -3.970 10.839 9.111 1.00 0.00 O ATOM 1727 CB ARG A 115 -4.773 7.816 10.074 1.00 0.00 C ATOM 1728 CG ARG A 115 -6.067 7.029 9.943 1.00 0.00 C ATOM 1729 CD ARG A 115 -6.237 6.043 11.088 1.00 0.00 C ATOM 1730 NE ARG A 115 -6.918 6.644 12.231 1.00 0.00 N ATOM 1731 CZ ARG A 115 -7.030 6.051 13.415 1.00 0.00 C ATOM 1732 NH1 ARG A 115 -6.507 4.848 13.610 1.00 0.00 N ATOM 1733 NH2 ARG A 115 -7.664 6.663 14.407 1.00 0.00 N ATOM 0 H ARG A 115 -3.420 6.643 8.378 1.00 0.00 H new ATOM 0 HA ARG A 115 -5.214 8.815 8.223 1.00 0.00 H new ATOM 0 HB2 ARG A 115 -3.983 7.146 10.413 1.00 0.00 H new ATOM 0 HB3 ARG A 115 -4.897 8.578 10.843 1.00 0.00 H new ATOM 0 HG2 ARG A 115 -6.912 7.717 9.925 1.00 0.00 H new ATOM 0 HG3 ARG A 115 -6.073 6.492 8.995 1.00 0.00 H new ATOM 0 HD2 ARG A 115 -6.804 5.179 10.741 1.00 0.00 H new ATOM 0 HD3 ARG A 115 -5.259 5.678 11.400 1.00 0.00 H new ATOM 0 HE ARG A 115 -7.330 7.570 12.114 1.00 0.00 H new ATOM 0 HH11 ARG A 115 -6.017 4.376 12.850 1.00 0.00 H new ATOM 0 HH12 ARG A 115 -6.594 4.395 14.520 1.00 0.00 H new ATOM 0 HH21 ARG A 115 -8.066 7.589 14.261 1.00 0.00 H new ATOM 0 HH22 ARG A 115 -7.750 6.207 15.316 1.00 0.00 H new ATOM 1747 N GLN A 116 -2.187 9.482 9.327 1.00 0.00 N ATOM 1748 CA GLN A 116 -1.263 10.565 9.640 1.00 0.00 C ATOM 1749 C GLN A 116 -1.216 11.585 8.508 1.00 0.00 C ATOM 1750 O GLN A 116 -1.360 12.786 8.735 1.00 0.00 O ATOM 1751 CB GLN A 116 0.138 10.009 9.900 1.00 0.00 C ATOM 1752 CG GLN A 116 0.266 9.279 11.227 1.00 0.00 C ATOM 1753 CD GLN A 116 0.463 10.224 12.397 1.00 0.00 C ATOM 1754 OE1 GLN A 116 1.250 11.168 12.322 1.00 0.00 O ATOM 1755 NE2 GLN A 116 -0.254 9.974 13.487 1.00 0.00 N ATOM 0 H GLN A 116 -1.761 8.555 9.311 1.00 0.00 H new ATOM 0 HA GLN A 116 -1.621 11.065 10.540 1.00 0.00 H new ATOM 0 HB2 GLN A 116 0.405 9.327 9.093 1.00 0.00 H new ATOM 0 HB3 GLN A 116 0.856 10.829 9.875 1.00 0.00 H new ATOM 0 HG2 GLN A 116 -0.629 8.680 11.396 1.00 0.00 H new ATOM 0 HG3 GLN A 116 1.107 8.588 11.177 1.00 0.00 H new ATOM 0 HE21 GLN A 116 -0.894 9.180 13.505 1.00 0.00 H new ATOM 0 HE22 GLN A 116 -0.164 10.576 14.306 1.00 0.00 H new ATOM 1764 N ALA A 117 -1.014 11.099 7.288 1.00 0.00 N ATOM 1765 CA ALA A 117 -0.950 11.968 6.120 1.00 0.00 C ATOM 1766 C ALA A 117 -2.266 12.711 5.915 1.00 0.00 C ATOM 1767 O ALA A 117 -2.280 13.857 5.463 1.00 0.00 O ATOM 1768 CB ALA A 117 -0.598 11.161 4.879 1.00 0.00 C ATOM 0 H ALA A 117 -0.892 10.107 7.083 1.00 0.00 H new ATOM 0 HA ALA A 117 -0.168 12.708 6.292 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -0.554 11.824 4.015 1.00 0.00 H new ATOM 0 HB2 ALA A 117 0.371 10.682 5.019 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -1.359 10.398 4.713 1.00 0.00 H new ATOM 1774 N LEU A 118 -3.369 12.052 6.249 1.00 0.00 N ATOM 1775 CA LEU A 118 -4.692 12.649 6.101 1.00 0.00 C ATOM 1776 C LEU A 118 -4.946 13.687 7.190 1.00 0.00 C ATOM 1777 O LEU A 118 -5.944 14.405 7.155 1.00 0.00 O ATOM 1778 CB LEU A 118 -5.771 11.566 6.151 1.00 0.00 C ATOM 1779 CG LEU A 118 -7.184 12.041 6.492 1.00 0.00 C ATOM 1780 CD1 LEU A 118 -7.709 12.972 5.410 1.00 0.00 C ATOM 1781 CD2 LEU A 118 -8.117 10.853 6.675 1.00 0.00 C ATOM 0 H LEU A 118 -3.374 11.104 6.624 1.00 0.00 H new ATOM 0 HA LEU A 118 -4.732 13.148 5.133 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -5.801 11.066 5.183 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -5.473 10.818 6.886 1.00 0.00 H new ATOM 0 HG LEU A 118 -7.144 12.594 7.431 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -8.716 13.300 5.669 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -7.054 13.840 5.328 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -7.734 12.444 4.457 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -9.118 11.210 6.917 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -8.152 10.273 5.753 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -7.750 10.224 7.486 1.00 0.00 H new ATOM 1793 N MET A 119 -4.034 13.760 8.154 1.00 0.00 N ATOM 1794 CA MET A 119 -4.158 14.712 9.252 1.00 0.00 C ATOM 1795 C MET A 119 -4.380 16.125 8.723 1.00 0.00 C ATOM 1796 O MET A 119 -4.989 16.960 9.391 1.00 0.00 O ATOM 1797 CB MET A 119 -2.907 14.675 10.131 1.00 0.00 C ATOM 1798 CG MET A 119 -2.752 13.381 10.913 1.00 0.00 C ATOM 1799 SD MET A 119 -3.600 13.425 12.504 1.00 0.00 S ATOM 1800 CE MET A 119 -4.123 11.719 12.657 1.00 0.00 C ATOM 0 H MET A 119 -3.202 13.172 8.197 1.00 0.00 H new ATOM 0 HA MET A 119 -5.023 14.427 9.851 1.00 0.00 H new ATOM 0 HB2 MET A 119 -2.027 14.818 9.503 1.00 0.00 H new ATOM 0 HB3 MET A 119 -2.939 15.511 10.830 1.00 0.00 H new ATOM 0 HG2 MET A 119 -3.143 12.554 10.320 1.00 0.00 H new ATOM 0 HG3 MET A 119 -1.692 13.184 11.076 1.00 0.00 H new ATOM 0 HE1 MET A 119 -4.663 11.587 13.594 1.00 0.00 H new ATOM 0 HE2 MET A 119 -4.776 11.462 11.823 1.00 0.00 H new ATOM 0 HE3 MET A 119 -3.249 11.068 12.647 1.00 0.00 H new ATOM 1810 N SER A 120 -3.882 16.387 7.518 1.00 0.00 N ATOM 1811 CA SER A 120 -4.022 17.701 6.902 1.00 0.00 C ATOM 1812 C SER A 120 -5.272 17.760 6.029 1.00 0.00 C ATOM 1813 O SER A 120 -5.984 18.763 6.012 1.00 0.00 O ATOM 1814 CB SER A 120 -2.785 18.029 6.064 1.00 0.00 C ATOM 1815 OG SER A 120 -2.884 19.322 5.493 1.00 0.00 O ATOM 0 H SER A 120 -3.378 15.706 6.949 1.00 0.00 H new ATOM 0 HA SER A 120 -4.119 18.440 7.697 1.00 0.00 H new ATOM 0 HB2 SER A 120 -1.893 17.971 6.688 1.00 0.00 H new ATOM 0 HB3 SER A 120 -2.670 17.287 5.274 1.00 0.00 H new ATOM 0 HG SER A 120 -2.081 19.508 4.964 1.00 0.00 H new ATOM 1821 N GLY A 121 -5.532 16.676 5.304 1.00 0.00 N ATOM 1822 CA GLY A 121 -6.696 16.624 4.438 1.00 0.00 C ATOM 1823 C GLY A 121 -6.924 17.926 3.695 1.00 0.00 C ATOM 1824 O GLY A 121 -7.702 18.779 4.119 1.00 0.00 O ATOM 0 H GLY A 121 -4.958 15.833 5.301 1.00 0.00 H new ATOM 0 HA2 GLY A 121 -6.574 15.815 3.718 1.00 0.00 H new ATOM 0 HA3 GLY A 121 -7.578 16.390 5.034 1.00 0.00 H new ATOM 1828 N PRO A 122 -6.232 18.092 2.558 1.00 0.00 N ATOM 1829 CA PRO A 122 -6.345 19.297 1.731 1.00 0.00 C ATOM 1830 C PRO A 122 -7.699 19.398 1.037 1.00 0.00 C ATOM 1831 O PRO A 122 -7.951 20.336 0.281 1.00 0.00 O ATOM 1832 CB PRO A 122 -5.227 19.125 0.699 1.00 0.00 C ATOM 1833 CG PRO A 122 -5.012 17.654 0.615 1.00 0.00 C ATOM 1834 CD PRO A 122 -5.286 17.115 1.992 1.00 0.00 C ATOM 0 HA PRO A 122 -6.260 20.208 2.324 1.00 0.00 H new ATOM 0 HB2 PRO A 122 -5.514 19.539 -0.268 1.00 0.00 H new ATOM 0 HB3 PRO A 122 -4.318 19.641 1.010 1.00 0.00 H new ATOM 0 HG2 PRO A 122 -5.679 17.204 -0.120 1.00 0.00 H new ATOM 0 HG3 PRO A 122 -3.993 17.426 0.303 1.00 0.00 H new ATOM 0 HD2 PRO A 122 -5.716 16.114 1.954 1.00 0.00 H new ATOM 0 HD3 PRO A 122 -4.375 17.047 2.586 1.00 0.00 H new ATOM 1842 N SER A 123 -8.568 18.427 1.299 1.00 0.00 N ATOM 1843 CA SER A 123 -9.896 18.405 0.697 1.00 0.00 C ATOM 1844 C SER A 123 -10.441 19.821 0.533 1.00 0.00 C ATOM 1845 O SER A 123 -10.963 20.178 -0.523 1.00 0.00 O ATOM 1846 CB SER A 123 -10.853 17.574 1.552 1.00 0.00 C ATOM 1847 OG SER A 123 -11.904 17.038 0.766 1.00 0.00 O ATOM 0 H SER A 123 -8.376 17.645 1.925 1.00 0.00 H new ATOM 0 HA SER A 123 -9.813 17.949 -0.290 1.00 0.00 H new ATOM 0 HB2 SER A 123 -10.305 16.764 2.034 1.00 0.00 H new ATOM 0 HB3 SER A 123 -11.268 18.194 2.346 1.00 0.00 H new ATOM 0 HG SER A 123 -11.540 16.698 -0.078 1.00 0.00 H new ATOM 1853 N SER A 124 -10.315 20.622 1.586 1.00 0.00 N ATOM 1854 CA SER A 124 -10.798 21.998 1.561 1.00 0.00 C ATOM 1855 C SER A 124 -9.651 22.980 1.778 1.00 0.00 C ATOM 1856 O SER A 124 -8.934 22.905 2.775 1.00 0.00 O ATOM 1857 CB SER A 124 -11.870 22.203 2.633 1.00 0.00 C ATOM 1858 OG SER A 124 -13.142 21.787 2.169 1.00 0.00 O ATOM 0 H SER A 124 -9.883 20.342 2.467 1.00 0.00 H new ATOM 0 HA SER A 124 -11.234 22.187 0.580 1.00 0.00 H new ATOM 0 HB2 SER A 124 -11.605 21.641 3.529 1.00 0.00 H new ATOM 0 HB3 SER A 124 -11.909 23.255 2.916 1.00 0.00 H new ATOM 0 HG SER A 124 -13.809 21.927 2.873 1.00 0.00 H new ATOM 1864 N GLY A 125 -9.484 23.903 0.836 1.00 0.00 N ATOM 1865 CA GLY A 125 -8.423 24.888 0.941 1.00 0.00 C ATOM 1866 C GLY A 125 -8.551 25.991 -0.091 1.00 0.00 C ATOM 1867 O GLY A 125 -9.615 26.594 -0.235 1.00 0.00 O ATOM 0 H GLY A 125 -10.065 23.986 0.002 1.00 0.00 H new ATOM 0 HA2 GLY A 125 -8.435 25.326 1.939 1.00 0.00 H new ATOM 0 HA3 GLY A 125 -7.459 24.393 0.822 1.00 0.00 H new TER 1871 GLY A 125